#DEFINITION	Reference Metabolome for Amorpha fruticosa
#IDENTTFIER	RefMeta-Amorpha fruticosa.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Amorpha fruticosa
#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 Amorpha fruticosa was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5703
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40727	100.0
124.80338	45.7
125.25215	59.7
162.76733	48.1
171.77968	51.9
280.37546	43.4
521.06714	56.6
615.23486	49.8
995.85260	57.6
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
70.20272	100.0
86.86782	22.4
108.22980	21.8
118.43869	20.3
134.16373	21.2
160.84467	20.5
184.23183	24.8
188.99579	22.5
203.44601	21.4
277.21768	37.8
446.78186	24.3
446.93469	24.2
526.12115	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81602	0.6
69.81998	0.7
71.01395	1.5
73.02938	0.8
79.01892	0.4
80.77046	0.2
81.03407	0.3
83.01377	0.7
85.02929	0.5
89.02441	0.8
93.03472	0.3
97.02924	0.4
98.19902	0.3
99.04525	4.4
101.02476	2.1
105.03452	0.5
107.01409	0.6
109.02972	2.2
113.02454	0.8
117.03500	0.3
119.03532	0.3
119.05042	0.6
121.02947	1.3
123.04511	0.5
125.02457	1.9
133.02959	10.9
135.04547	1.4
137.02419	0.7
143.03516	0.4
147.04506	1.1
149.02400	1.4
149.04538	0.2
151.00348	0.6
157.07622	0.3
161.02455	1.2
161.04416	0.3
163.00423	1.7
163.04022	2.9
164.00945	0.3
165.01936	2.0
171.04550	0.3
173.02489	0.4
175.03984	2.8
177.01961	0.7
184.09827	0.3
185.06116	0.3
191.03569	1.7
193.01413	1.1
199.04083	1.4
199.07654	0.3
201.01918	0.9
203.03484	0.3
209.06148	0.5
211.03983	1.0
212.04636	0.4
213.05586	1.0
215.03606	0.5
217.05237	0.3
221.06607	0.3
225.05634	0.7
227.03493	0.5
227.07135	0.5
229.05058	0.3
233.04674	0.3
239.03456	0.4
240.04233	0.9
241.05075	0.6
243.03033	0.5
251.03577	0.3
253.05084	1.1
255.02992	1.0
255.06676	0.6
256.03772	0.4
257.04391	0.6
259.06018	0.4
269.04608	1.0
270.05280	0.5
271.06232	0.6
281.04599	0.7
284.03284	9.5
284.06485	0.5
285.04083	7.1
297.04056	16.5
298.04837	9.1
298.08334	0.4
299.05609	18.2
300.06021	0.8
309.04129	1.1
311.05643	2.6
312.05887	0.3
324.02670	0.6
325.03473	1.1
327.05106	100.0
328.05463	5.4
339.05142	3.5
340.42068	0.3
341.06564	0.9
357.06168	27.1
358.06491	1.5
369.06168	2.6
393.06113	1.2
399.07040	0.3
405.21249	0.5
411.07111	0.4
429.08484	0.4
447.09338	95.2
448.09665	7.9
492.16507	0.4
501.55630	0.3
505.26752	0.5
522.02094	0.4
549.25537	12.6
550.25977	1.0
563.14282	0.6
886.83545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	1.9
69.03475	1.7
71.01389	26.2
72.00649	0.3
72.99316	3.5
73.02956	6.1
73.92613	0.3
75.00883	5.6
81.03482	0.6
83.01401	4.1
83.35155	0.3
85.02960	17.7
85.42803	0.3
86.00098	1.9
87.00889	8.7
87.04540	2.0
89.02451	6.9
95.01386	5.4
95.25086	0.4
96.96017	3.0
97.02943	4.6
98.19903	1.1
99.00890	17.8
101.02452	9.0
103.04038	1.8
108.02145	0.4
111.00896	0.9
112.01678	1.1
113.02463	13.2
114.85734	0.3
115.00360	0.9
115.04008	1.8
119.03516	1.6
125.02442	1.1
125.58420	0.3
131.03514	4.6
137.02448	0.4
139.00397	1.4
141.01985	0.3
143.03502	4.6
145.05081	1.1
157.01404	1.6
161.02438	0.4
161.04567	1.3
163.06105	1.2
205.07193	2.6
228.89922	0.3
285.04266	0.4
366.79623	0.4
407.29440	1.2
437.30850	0.6
453.30084	0.6
455.31720	1.5
499.30786	0.4
517.75317	0.4
537.32111	1.1
569.34564	0.8
613.33832	2.6
634.92511	0.3
639.32141	0.4
657.33344	1.9
762.70953	0.5
921.44666	1.3
939.43695	0.5
965.44806	1.0
983.44965	100.0
984.45392	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	987.546
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	10.5
104.45430	10.3
152.62541	10.8
169.12048	10.5
260.39886	9.4
277.21689	65.9
278.22098	15.4
293.21271	100.0
379.12143	10.8
397.13547	69.5
415.14523	17.2
441.32877	12.4
525.67938	11.5
585.94623	12.6
782.58020	12.2
987.55023	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25699	1.8
71.01376	0.2
78.59798	0.2
82.63264	0.2
83.01382	0.5
92.75050	0.2
99.97933	0.2
107.01403	2.1
108.02176	1.1
109.02960	1.1
119.01353	0.3
121.02976	1.2
124.01637	0.2
135.00899	0.6
147.00908	0.2
148.01653	1.1
149.02463	0.2
151.00374	7.2
152.00691	0.3
159.04497	0.3
163.00410	1.6
164.01227	0.4
165.01880	0.2
173.06142	0.3
175.04050	0.2
178.99870	3.5
180.00130	0.2
183.04466	0.3
187.04059	0.5
192.00609	0.3
193.01462	0.2
199.04021	0.5
201.01915	0.2
201.05603	0.3
203.03505	0.4
211.03958	0.9
215.03546	0.4
216.04178	0.3
225.17540	0.2
226.02766	1.0
227.03493	1.9
228.04222	0.3
229.04977	0.6
239.03418	0.2
243.02982	6.9
244.03468	0.4
245.04541	0.8
254.02182	1.3
255.03000	20.4
256.03442	1.1
271.02484	40.0
272.02997	3.1
273.04019	0.8
283.02518	0.6
284.03317	1.2
285.03983	2.0
286.04343	0.3
299.01968	0.9
299.05676	0.5
300.02756	79.3
301.03476	30.2
302.03888	1.9
343.04626	0.2
447.09299	1.9
448.09720	0.3
463.08835	2.0
505.09897	100.0
506.10199	9.2
522.11987	0.2
657.31281	0.2
949.80511	0.2
967.18707	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32106	4.4
71.01385	4.0
72.99313	0.5
73.02944	2.1
83.01368	0.9
85.02940	1.2
89.02437	2.0
94.06622	2.0
101.02457	3.3
106.06619	0.8
107.03775	4.3
113.02443	1.5
115.33066	0.5
117.37159	0.5
118.39356	0.5
119.03510	0.8
120.04599	0.5
121.05312	0.6
122.06136	24.0
124.07675	1.0
132.04561	6.0
132.08275	0.5
134.06143	3.6
139.02777	0.9
144.04706	0.7
146.02538	0.9
148.04092	0.5
149.04657	1.1
150.05615	1.8
152.07182	52.1
153.07504	1.7
158.02437	1.0
160.04057	3.4
161.04561	1.1
162.05576	0.7
164.03494	0.6
166.05115	1.2
172.04062	0.8
174.05653	1.1
176.03516	2.2
176.07208	0.8
190.05128	5.3
211.12431	1.6
212.10831	0.6
215.11876	1.4
223.08829	2.6
224.09476	2.9
237.10292	1.2
238.11064	0.7
239.11879	11.7
240.10233	1.7
240.12401	0.7
241.09845	1.7
251.11778	2.7
253.06305	3.6
253.09871	1.0
254.06699	0.7
255.07678	0.9
255.11446	1.4
265.09875	1.6
267.07727	2.0
267.11377	1.3
268.08591	3.0
268.11185	0.6
269.04630	1.1
271.10889	0.8
277.09921	0.9
279.07693	1.0
279.11502	0.6
280.08612	1.4
281.09271	1.7
283.10889	42.5
284.11230	2.2
293.09354	0.5
295.10907	10.0
296.11292	0.6
300.02817	0.8
307.10825	1.1
312.11255	3.6
313.11560	0.8
323.10297	1.8
327.13754	0.7
339.09964	0.7
341.11230	1.5
353.92682	0.5
355.12915	1.6
402.18698	0.6
404.19684	1.0
413.21875	0.9
420.19748	3.1
430.17502	1.3
446.17099	0.7
448.18753	20.1
449.18951	1.7
451.77817	0.7
464.17889	0.9
474.16638	1.1
482.55438	0.6
492.17789	100.0
493.17972	10.2
494.18445	1.5
519.11121	0.8
523.35065	1.7
524.20386	68.8
525.20721	8.9
526.21234	0.7
536.20178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	1.1
69.10501	0.4
71.01388	35.3
71.28187	0.8
72.01729	0.6
72.99312	1.9
73.02952	46.3
75.00887	1.2
83.01394	12.3
85.02954	6.9
87.00867	1.2
89.02454	11.2
94.73792	0.5
95.01390	2.3
96.23366	0.5
97.02967	0.7
99.00883	0.7
99.04530	0.7
101.02451	42.1
113.02460	18.4
119.03507	6.8
123.08173	0.8
125.02449	1.8
125.06107	0.8
131.03531	4.2
136.05276	0.5
143.03473	4.2
149.04573	8.2
149.09720	1.2
153.09274	0.5
155.03493	1.1
161.04561	15.3
167.10764	4.1
172.55472	0.4
173.79807	0.5
179.05644	1.1
181.08748	0.9
203.05624	2.0
221.06664	4.9
225.15086	0.5
243.15967	0.8
288.40057	0.4
331.24966	0.5
344.76575	0.5
387.20322	8.3
405.21310	4.8
447.22369	100.0
448.22729	7.3
449.23477	1.1
467.47705	0.5
491.21362	2.5
520.26465	0.5
733.39063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.7
71.01390	23.9
71.55370	0.9
72.99329	1.1
73.02951	8.4
83.01414	3.0
84.73457	0.5
85.02961	10.6
87.00874	1.6
89.02452	15.3
95.01390	3.5
99.00883	2.1
99.04552	0.5
101.02454	15.8
101.03115	1.0
110.16592	0.6
113.02467	21.5
113.03257	1.1
114.02761	0.7
118.07778	0.5
118.99447	0.5
119.03515	4.3
122.06184	0.7
123.04527	0.7
125.02427	1.2
131.03532	1.9
132.04568	1.0
137.09662	0.5
143.03520	1.7
149.02518	0.6
149.04567	4.2
151.00398	1.0
152.07184	1.4
159.03096	0.8
159.04462	0.7
160.05315	1.8
161.04587	6.4
161.05959	0.9
175.07674	1.0
178.06456	0.8
178.99817	0.7
179.05553	0.7
191.05670	0.6
209.15521	2.7
227.16559	6.3
240.31767	0.5
243.03021	1.0
251.07748	0.6
255.03008	1.6
271.02505	4.9
272.03265	0.7
284.03281	2.1
285.04053	3.7
286.04395	0.9
297.04144	0.7
297.12515	0.7
299.01944	1.6
300.02765	7.4
301.03445	4.2
329.13943	8.5
341.03012	1.3
341.11249	0.8
359.14978	0.8
371.20755	46.1
372.21085	3.0
389.21869	16.5
390.22128	1.7
415.15366	1.2
415.20908	0.7
431.22870	100.0
432.23184	8.1
433.07867	0.9
436.63892	0.6
447.09445	2.5
448.09674	2.1
449.09772	1.4
474.11356	0.6
503.08160	2.9
505.09897	8.7
505.26599	4.3
506.10141	0.9
546.51208	0.7
609.15210	0.7
847.09332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	4.2
71.01387	73.8
72.99312	3.5
73.02950	85.5
75.00876	1.8
83.01393	28.1
85.02963	15.0
87.00874	4.3
89.02449	20.7
95.01392	3.7
96.96059	1.2
97.02959	3.0
98.19794	2.1
99.00921	2.0
101.02450	100.0
102.02795	2.5
111.00940	1.1
113.02457	39.9
119.03503	15.8
125.02479	5.8
129.67456	0.9
131.03513	9.8
136.01631	0.9
137.02390	1.0
143.03506	14.2
149.02655	1.2
149.04561	26.3
155.03490	3.3
161.04564	46.9
179.05673	2.1
191.05669	1.1
193.05086	1.1
203.05606	7.4
212.72694	1.0
221.06650	21.0
229.18015	1.5
273.11740	1.0
285.04153	1.9
357.07037	1.1
391.23389	1.9
414.33929	1.1
415.23346	9.0
416.24039	1.9
521.33313	53.0
522.33679	5.1
683.23956	1.2
804.46417	1.1
872.77625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67040	2.3
69.67452	3.7
71.01389	14.8
72.99316	2.5
73.02952	4.1
75.00877	8.4
83.01385	2.3
85.02957	17.7
86.00127	1.4
87.00875	6.4
87.04524	2.2
89.02452	4.2
95.01398	3.2
96.35400	1.0
96.96009	2.2
99.00898	8.0
101.02441	3.2
103.04008	2.2
113.02472	14.1
122.68476	0.9
125.02432	1.3
131.03519	5.5
139.00404	1.5
143.03496	4.6
144.69582	1.1
163.07654	5.6
164.07985	1.5
205.07172	2.6
209.22496	0.9
329.37555	1.0
457.36981	1.2
619.21759	1.1
622.40454	2.4
682.42822	2.4
911.50128	100.0
912.50482	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	979.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	2.9
71.01389	69.8
71.54350	0.6
71.54729	0.6
72.02187	0.6
72.99310	3.0
73.02953	100.0
74.03300	0.9
75.00883	1.9
76.92769	0.5
81.03455	0.7
83.01395	30.3
85.02959	10.9
87.00886	1.9
89.02457	13.5
92.28201	0.5
93.07094	0.9
95.01393	2.3
97.02966	1.9
99.00887	2.2
101.02454	82.0
102.02784	1.4
111.00896	1.9
113.02463	30.0
119.03507	8.7
121.02952	1.2
122.03654	0.6
125.02433	3.6
131.03502	7.4
143.03505	8.9
149.02577	2.9
149.04565	20.0
149.50940	0.6
149.58913	0.6
155.03574	2.7
161.04568	36.5
162.04866	0.6
164.04826	2.9
168.24367	0.6
195.05017	0.7
203.05623	4.2
205.68889	0.6
221.06662	13.1
229.18031	2.5
255.03011	2.0
255.10237	3.2
267.63895	0.6
269.04575	6.8
270.04959	2.1
273.11316	3.4
283.02475	2.4
284.03055	0.8
298.04907	3.5
313.07227	6.4
314.07703	0.7
391.23502	1.4
447.08267	0.6
461.10608	1.6
521.33337	42.9
522.33868	4.2
812.51129	0.7
1007.77399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
77.82209	8.5
89.02454	9.6
98.20695	12.7
211.08597	10.7
277.21695	100.0
379.12579	14.8
397.13519	43.7
400.80902	9.4
503.32974	9.9
520.52850	9.6
559.82019	10.0
606.39746	10.0
773.08771	10.2
971.54718	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47540	18.3
70.47895	8.1
72.58839	5.4
91.24806	5.7
101.02440	7.6
113.02361	6.6
139.50676	7.0
162.35536	6.9
277.21704	100.0
292.15723	7.3
305.08765	7.2
317.43286	6.5
320.19324	8.1
379.12524	13.0
397.13522	37.0
415.14279	8.5
531.10095	7.9
971.55212	23.6
972.56287	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	973.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	0.2
69.31409	0.6
69.31836	0.7
71.01008	0.3
71.01389	4.2
72.99328	0.2
73.02950	3.9
75.00880	0.2
76.99406	0.1
79.01884	0.2
83.01397	1.6
85.02957	0.9
85.39058	0.1
88.05378	0.2
89.02444	1.1
92.66058	0.2
93.03465	0.4
95.01399	0.3
96.96010	0.6
98.20612	0.3
99.00878	0.2
99.04537	1.9
101.02460	4.4
107.01413	1.3
108.02222	0.2
113.02467	1.9
117.03484	2.8
119.03493	0.5
119.05048	0.2
121.02977	0.2
125.02451	1.1
131.03529	0.5
135.04547	0.2
141.73317	0.2
143.03490	0.7
145.02975	0.3
147.04570	0.2
149.02472	0.7
149.04564	0.7
150.03215	0.4
151.00386	0.8
153.41695	0.2
159.04573	1.4
161.02480	0.9
161.04581	1.4
165.05571	0.3
169.06601	0.5
171.04488	0.2
173.05901	0.2
177.04210	0.2
181.06563	0.4
183.04498	0.8
186.91638	0.2
189.12782	0.2
193.05109	0.2
196.05229	0.2
197.06107	0.5
199.04031	0.2
201.05627	0.3
209.06091	0.2
221.06653	0.4
224.04819	0.3
225.05602	1.1
227.03477	0.3
240.04298	0.2
241.05011	0.2
245.66156	0.2
266.51770	0.2
268.01395	0.1
268.03784	7.1
269.04568	100.0
270.04916	4.8
283.06284	0.2
291.06659	0.5
293.12689	0.2
311.05664	2.9
311.09229	0.3
312.06131	0.3
317.48541	0.2
334.19241	0.2
335.05496	0.2
338.57846	0.2
373.21973	0.2
379.31873	0.2
390.95520	0.2
413.21887	0.3
431.10193	0.8
431.16855	0.1
431.23001	0.2
473.10941	5.5
473.23660	0.4
474.11252	0.6
483.42035	0.2
517.26654	1.8
725.24323	0.2
841.34454	0.5
973.35406	0.4
973.52948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	21.6
71.44904	1.4
71.54971	1.4
71.55334	1.2
72.99315	1.9
73.02952	5.9
74.15270	1.2
83.01382	3.7
85.02960	9.8
87.00871	3.2
89.02472	6.3
93.03458	1.3
95.01400	3.3
96.85618	1.3
96.96011	5.9
97.95161	1.2
100.17213	1.2
101.02455	12.1
113.02462	11.4
124.01704	1.8
125.02462	5.7
135.08157	4.0
146.75888	1.3
150.06880	6.5
156.24492	1.2
161.04539	2.6
163.07660	100.0
164.07977	1.6
179.05678	1.8
179.07144	1.8
192.76360	1.3
219.06789	1.5
285.03842	1.9
329.22141	1.5
335.27441	1.3
475.34357	12.0
568.65344	1.5
601.37848	1.6
619.38550	57.2
620.38690	8.3
637.39673	28.9
638.40015	3.4
661.39667	16.8
662.39899	1.9
679.40674	47.1
680.41071	5.7
721.41742	3.8
763.43030	7.6
764.43530	1.5
781.44165	11.2
799.46350	3.7
823.44843	4.5
841.46631	5.5
911.47589	1.6
993.32343	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	971.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99834	1.9
69.03455	1.3
70.01290	1.1
71.01391	21.4
72.01746	0.4
72.99317	3.0
73.02951	5.9
75.00468	0.5
75.00878	7.6
77.76678	0.3
81.03450	0.6
83.01396	2.8
83.05056	0.3
85.02961	16.1
86.00110	1.8
87.00887	7.6
87.04511	2.1
89.02451	5.9
90.08988	0.3
95.01392	4.3
96.96040	1.6
97.02953	0.8
99.00890	12.0
100.17972	0.3
101.02455	7.6
103.00376	0.5
103.04038	1.9
111.00920	0.7
112.01684	0.8
113.02466	10.1
114.02775	0.3
115.00400	0.4
115.04004	1.8
119.03508	1.0
119.05026	0.6
121.02959	0.3
125.02458	0.9
131.03529	3.8
137.02451	0.4
139.00391	1.4
143.03514	4.2
145.05061	1.0
148.05321	0.3
149.04529	1.0
157.01396	1.0
161.04590	0.5
163.03981	0.5
163.06123	1.2
165.01971	0.4
205.07225	2.2
213.09200	1.3
269.04471	0.3
299.05612	1.2
322.29111	0.3
327.07382	0.3
377.28543	0.3
439.32162	3.3
440.32825	0.4
449.10721	0.4
469.33273	1.6
485.32639	1.6
487.34332	4.4
488.35068	0.4
529.34894	0.4
542.07965	0.3
569.34875	1.3
583.36395	0.8
599.35815	0.4
601.37402	4.8
602.37988	0.7
619.38428	1.0
645.36371	5.1
661.50781	0.3
763.43134	0.8
909.48407	0.7
953.48230	1.1
967.64594	0.3
971.48627	100.0
972.48975	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	1.6
71.01389	16.6
71.05027	1.2
71.17466	0.9
72.99313	1.8
73.02946	2.6
81.03485	0.9
81.13306	0.4
83.01387	1.9
83.05014	1.9
84.02212	0.5
85.02965	5.4
85.06625	0.7
87.00889	4.1
87.04498	0.5
89.02453	15.0
95.01411	1.2
95.05023	0.5
96.96054	0.7
97.02960	7.9
97.06585	0.8
99.00857	1.1
101.02453	12.3
109.02967	0.5
109.06589	1.4
111.04510	1.2
111.08179	1.0
113.02467	7.5
119.03510	4.2
125.02455	5.3
125.09719	0.5
127.07651	0.5
131.03545	1.3
137.09688	1.0
139.04050	0.7
143.03506	2.6
161.04561	3.0
167.10773	0.6
171.10275	2.8
177.12958	0.7
179.05623	3.6
179.14394	1.0
181.12366	0.5
183.13907	1.4
195.13939	6.7
197.11838	2.8
205.12343	0.6
209.11861	0.8
211.13445	1.4
221.06711	1.7
221.11916	0.5
221.15454	4.4
223.13388	2.8
233.15472	0.8
235.08199	4.9
239.16487	1.0
247.20616	1.7
251.16573	1.2
253.09308	1.3
272.82922	0.4
273.18600	1.2
277.21738	46.5
278.22107	2.7
281.21255	0.5
287.07709	1.7
291.19687	24.6
292.20010	1.6
305.08749	1.5
309.20737	100.0
310.21078	5.6
313.92645	0.4
323.09952	1.4
330.87891	0.4
379.12411	3.5
397.13516	45.5
398.13910	2.3
409.30344	0.5
415.14569	14.0
416.14709	1.0
522.04846	0.5
612.19366	0.4
675.35815	1.8
689.33588	1.7
707.35046	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	971.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62843	0.1
68.99799	0.1
71.01379	0.3
73.02969	0.4
86.46096	0.1
98.19831	0.3
100.92274	0.1
101.02484	0.3
108.42480	0.2
121.02969	0.2
122.03741	0.2
123.00883	0.4
147.00861	0.5
147.04492	0.3
148.05316	22.5
149.05630	0.6
150.03262	0.4
163.07663	17.7
164.07982	0.6
165.05605	0.4
175.96201	0.2
183.04515	0.3
184.05278	0.3
187.04048	0.3
195.04576	0.7
195.06625	0.2
196.05307	0.4
209.41988	0.1
211.04094	0.8
212.04797	0.8
215.03516	1.3
223.04128	0.3
224.04785	1.5
239.03508	3.3
240.04305	2.1
252.04178	0.2
253.04976	0.2
255.11588	0.2
265.04984	1.3
267.02985	2.4
268.03775	17.7
269.04169	0.9
281.04529	0.3
283.06177	0.4
295.02536	0.9
295.06125	0.8
296.03275	61.3
297.03629	3.8
309.04144	0.7
310.04605	0.3
311.05621	100.0
312.05960	6.0
317.04425	0.2
318.05341	0.4
321.04050	3.8
322.04526	0.3
323.05597	0.4
325.07202	0.3
333.07709	0.5
342.04202	0.2
353.06711	3.2
367.13974	0.2
377.06961	0.2
395.07910	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01905	0.9
68.99815	2.4
69.03454	2.6
69.50803	0.9
71.01388	30.1
71.55176	1.1
72.99306	3.8
73.02947	8.0
75.00886	6.3
81.30387	0.9
83.01403	4.8
85.02955	17.3
86.00111	1.2
87.00887	9.1
87.04532	2.0
89.02452	8.8
95.01415	4.0
96.96009	5.3
97.02982	6.5
99.00894	16.8
101.02449	11.1
103.04003	1.6
109.02958	1.3
113.02457	11.6
115.04025	1.9
119.03517	1.6
122.06107	1.0
125.02421	2.0
131.03526	4.1
134.03737	1.3
143.03513	3.6
154.38954	1.0
161.04538	2.1
163.06136	0.8
175.03891	1.0
205.07115	2.9
296.03464	0.9
311.05563	1.5
325.13846	0.9
326.96747	0.8
358.94873	1.0
366.70178	1.0
437.30508	2.1
439.32074	2.4
507.35275	1.4
521.32477	1.5
597.34454	2.4
606.13239	0.9
641.33820	2.4
662.19983	1.0
788.39630	0.9
949.44769	2.3
967.45508	100.0
968.45654	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	967.252
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	0.9
71.54670	0.2
72.61937	0.2
73.02959	0.3
80.02689	0.2
80.55732	0.2
81.03466	1.8
83.01378	0.2
85.02957	0.5
91.01902	1.3
91.05520	0.3
93.03466	0.2
95.01391	0.4
101.02464	0.6
108.02204	1.1
109.02978	0.2
113.02457	0.2
122.03752	14.8
123.00880	0.3
123.04080	0.4
124.01691	0.2
125.02451	1.0
126.05545	0.2
136.01688	0.2
137.02469	1.0
148.01668	0.2
149.63828	0.2
153.01985	0.3
154.02734	0.3
156.05804	0.3
161.63069	0.2
166.04932	0.2
169.06572	1.2
169.10231	1.8
171.06696	0.4
171.08174	7.8
172.08527	0.2
195.08119	0.4
211.07562	0.3
213.09227	100.0
214.09570	5.4
227.03357	0.2
239.07144	7.9
240.07507	0.5
247.37645	0.2
255.10217	0.5
257.08218	2.7
283.02756	0.2
284.03308	3.7
285.03790	0.4
298.04736	0.2
299.05621	6.5
300.05972	0.4
341.06573	0.7
350.93811	0.2
419.13495	90.9
420.13861	8.2
464.29581	0.2
487.95868	0.2
527.83258	0.2
667.93341	0.2
697.00220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50195	0.7
68.99818	2.3
69.03459	2.0
69.75375	3.5
71.01390	29.3
72.99307	3.6
73.02944	8.4
75.00887	5.7
83.01376	3.5
85.02959	16.4
86.00089	1.1
87.00880	8.7
87.04507	3.0
87.69676	0.7
89.02454	7.3
91.67843	0.8
95.01389	5.3
96.95998	2.1
97.02962	6.2
98.20653	1.3
99.00882	16.1
101.02454	10.3
103.03999	2.1
108.88704	0.7
111.00865	1.4
112.01749	0.7
113.02458	10.8
115.00330	1.0
115.03989	1.7
119.03492	1.4
125.02454	1.0
131.03500	3.9
137.02383	0.7
139.00423	1.0
143.03516	4.5
145.05136	0.8
161.02477	0.9
161.04575	0.8
163.06119	1.2
205.07172	2.6
216.75485	0.7
296.03024	1.0
311.05603	1.3
437.30643	2.6
439.32150	1.7
507.35016	1.6
521.32373	0.9
597.34454	3.0
641.33325	2.5
692.73804	0.9
790.48260	0.8
813.68628	0.9
905.45581	2.0
949.43835	2.2
967.45496	100.0
968.45612	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	961.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99824	1.7
69.03479	1.2
70.33987	3.3
71.01387	22.8
72.99314	3.6
73.02947	4.5
75.00883	7.3
75.54945	1.0
77.97066	1.1
83.01391	2.9
84.14816	0.8
85.02956	9.4
86.00104	1.0
87.00889	6.4
87.04506	2.7
89.02454	5.7
95.01406	3.6
96.96044	4.8
99.00890	7.3
101.02471	7.7
103.04041	2.5
113.02463	8.4
115.04029	1.8
119.03524	1.2
128.81241	0.8
131.03488	2.8
136.81081	0.9
143.03517	5.2
146.33450	0.9
158.48766	0.8
163.06172	1.3
205.07127	2.5
280.36322	1.0
285.12726	0.9
307.05872	2.1
439.35867	2.5
509.39951	2.8
925.51794	100.0
926.52081	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	953.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
68.76730	0.6
68.99813	2.4
69.03450	2.2
71.00173	1.2
71.01386	24.9
71.05041	0.6
72.99313	2.5
73.02950	8.1
75.00881	7.1
83.01402	3.1
84.02179	0.8
85.02959	25.7
86.00108	1.7
87.00884	8.1
87.04520	2.9
89.02446	3.6
89.09745	0.5
95.01392	4.7
96.96053	1.4
97.02956	5.2
99.00887	23.6
101.02442	2.5
103.04024	1.3
112.01654	1.2
113.02458	19.5
115.04017	2.1
131.03522	5.6
143.03499	3.8
145.05063	1.1
157.01401	0.6
163.06128	0.7
191.46507	0.7
205.07195	1.3
255.79126	0.6
268.68781	0.7
360.66391	0.7
407.29669	1.1
444.80078	0.6
455.31741	3.8
537.31757	0.9
613.33801	1.7
657.33185	1.2
752.28387	0.7
935.43872	0.9
953.43903	100.0
954.44293	18.1
954.64044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19521	6.3
69.19921	14.4
71.01388	7.7
83.05024	3.3
85.02979	2.7
87.00882	2.3
89.02454	10.6
96.96030	4.7
98.20689	4.4
101.02460	6.8
113.02448	4.4
119.03515	5.5
125.02472	6.0
143.03581	2.8
161.04562	6.4
179.05595	6.8
209.11841	100.0
210.12234	4.8
227.12926	16.8
235.08234	5.4
277.21747	41.5
305.08981	2.5
313.21634	2.0
343.40714	2.3
379.12546	16.8
397.13544	54.5
398.13895	5.0
415.14478	9.4
589.24847	13.6
607.25970	12.3
608.27295	2.3
657.35205	3.1
675.35852	3.1
693.07336	2.4
853.62988	2.3
867.48926	2.4
953.48798	35.1
954.49036	7.5
959.00818	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	955.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
67.77215	0.5
68.99812	1.8
69.03457	1.7
69.33275	4.8
71.01390	29.2
72.01727	1.2
72.99320	3.1
73.02960	10.0
74.03310	0.6
74.89758	0.5
75.00882	10.4
83.01399	3.0
85.02960	21.4
86.00091	1.8
86.03275	1.2
87.00892	10.5
87.04539	2.0
89.02458	5.2
93.58688	0.6
95.01395	4.8
96.96022	3.0
97.02954	2.5
98.03867	0.7
98.20715	1.4
99.00889	19.0
100.01197	0.9
101.02448	8.1
103.04018	1.6
112.01669	1.4
112.32215	0.6
113.01730	0.9
113.02467	12.9
114.02785	1.5
115.04018	2.7
119.03501	0.9
123.04504	0.6
131.03525	4.6
139.00381	0.9
143.03525	5.2
157.01418	1.4
163.06160	1.7
175.03954	0.7
181.80325	0.6
205.07156	1.9
283.06177	1.7
299.05875	0.7
331.68329	0.6
469.33270	2.5
471.34964	4.8
539.37482	5.0
540.37872	0.7
553.35461	0.8
585.37848	6.2
603.38867	1.3
629.36993	4.5
937.48206	2.3
953.44537	1.2
954.45056	1.9
955.48260	100.0
956.49078	19.2
957.52106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.492
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01879	0.6
68.99817	1.9
69.03449	0.6
69.61584	0.4
70.92525	0.6
70.92847	0.5
71.01389	25.1
72.99313	2.7
73.02954	6.5
73.03322	0.9
75.00877	9.2
83.01392	2.9
83.05045	0.6
85.02961	14.6
86.00115	1.6
87.00886	8.7
87.04530	2.4
89.02458	6.3
95.01405	4.5
96.96015	2.3
97.02991	0.7
99.00888	13.0
99.04521	0.5
101.02454	8.5
103.04009	2.0
107.05946	0.4
112.28813	0.4
113.02464	8.1
115.00346	0.6
115.04033	2.9
119.03509	1.1
125.02419	1.1
131.03511	4.1
138.68887	0.4
143.03510	4.7
145.05103	0.6
157.01472	0.6
163.06108	1.6
205.07175	3.4
224.00584	0.5
267.07578	0.5
283.02560	0.9
284.03250	0.6
297.07562	0.5
299.05490	0.7
301.07239	1.0
317.64478	0.5
453.33875	0.9
469.33246	2.8
471.34821	3.4
472.35367	0.5
513.36139	1.5
526.57172	0.5
537.35388	0.5
539.37421	6.2
540.38196	1.0
553.35529	0.8
567.36737	0.5
585.38007	5.6
586.38354	0.9
603.39044	0.7
629.36743	6.0
630.37103	0.7
680.29120	0.5
728.47711	0.5
747.43762	1.0
893.49384	0.5
897.29156	0.5
937.47974	1.6
955.49170	100.0
956.49487	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	957.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.5
68.99821	2.1
69.03440	1.1
71.01388	26.7
71.55142	0.6
72.99326	4.1
73.02950	8.1
75.00880	13.3
76.81377	0.4
81.03482	0.5
83.01398	4.0
83.05035	0.5
85.02958	24.2
86.00105	2.0
87.00884	10.5
87.04528	2.5
89.02455	8.8
95.01391	5.2
96.96014	4.1
97.02962	0.9
98.00444	0.5
99.00275	0.9
99.00891	12.6
101.02449	11.2
103.04026	3.1
111.00897	0.9
112.01666	0.5
113.02461	14.5
115.00360	0.9
115.04015	3.4
119.03512	2.3
125.02451	0.8
131.03528	5.4
134.03693	0.5
135.03040	1.0
137.02452	0.9
139.00356	1.3
143.03514	6.4
145.05057	1.3
147.08177	1.2
148.05229	0.6
157.01434	1.4
161.04536	1.4
163.06110	1.6
163.07581	0.9
165.05563	0.5
165.78339	0.5
175.04057	0.7
193.05096	0.6
205.07152	3.9
209.11923	0.6
247.08362	0.5
267.02905	0.5
282.05411	1.4
295.56256	0.5
297.07864	0.9
298.04764	0.8
313.07129	1.5
319.47375	0.5
361.76303	0.5
460.91721	0.4
473.36475	0.8
631.38629	0.7
913.39783	0.7
939.49152	1.2
957.50690	100.0
958.51025	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	951.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35610	0.3
69.64184	1.9
71.01392	2.0
72.61934	0.3
72.68861	0.3
73.02944	0.4
80.89716	0.3
81.03477	1.6
83.01395	0.5
85.02967	1.1
89.02452	0.7
91.01907	1.0
93.03432	0.5
99.04516	3.2
101.02450	1.9
108.02150	0.9
109.02982	0.4
113.02473	1.1
115.55701	0.3
116.05178	0.3
122.03753	14.8
123.00893	0.3
125.02467	2.5
134.67075	0.3
137.02461	1.6
154.02711	0.3
156.05743	0.4
166.02806	0.5
169.06618	1.0
169.10225	1.9
171.08163	8.1
175.04022	0.4
181.05156	0.4
195.06647	0.4
211.07628	0.6
213.09225	100.0
214.09566	6.7
228.95241	0.3
239.07144	8.0
240.07440	0.3
257.08176	2.8
260.16718	0.3
267.07172	0.3
271.36096	0.3
285.69446	0.3
299.09430	0.3
387.20377	0.9
417.15717	0.4
419.13510	98.9
420.13843	8.3
421.13852	0.3
429.21149	0.7
450.20947	0.4
496.96506	0.3
531.24585	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	951.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96602	0.9
71.01391	18.3
72.99334	1.2
73.02972	6.7
75.00872	1.5
83.01395	2.6
85.02976	5.4
87.00885	1.2
89.02459	6.2
95.01420	1.5
96.96025	3.1
97.09567	1.0
98.20705	1.6
99.00880	2.6
99.04527	4.9
101.02444	12.2
113.02451	7.1
119.03494	2.9
121.02991	1.4
125.02448	2.3
131.03491	1.0
143.03519	2.3
149.02444	1.1
149.04520	1.4
150.03275	1.9
153.74547	0.9
161.04585	6.1
164.04819	2.9
179.07091	2.2
195.05054	1.0
205.05156	1.1
213.09258	3.6
227.16560	1.3
271.02597	1.3
284.03403	1.2
285.03973	1.4
313.06818	1.0
371.20737	4.3
389.21793	8.3
419.13766	4.7
431.22864	100.0
432.23105	9.2
433.20477	1.2
468.43021	0.9
474.22910	1.2
533.25970	8.4
534.26581	1.6
651.23682	1.0
951.30792	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	951.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96602	0.9
71.01391	18.3
72.99334	1.2
73.02972	6.7
75.00872	1.5
83.01395	2.6
85.02976	5.4
87.00885	1.2
89.02459	6.2
95.01420	1.5
96.96025	3.1
97.09567	1.0
98.20705	1.6
99.00880	2.6
99.04527	4.9
101.02444	12.2
113.02451	7.1
119.03494	2.9
121.02991	1.4
125.02448	2.3
131.03491	1.0
143.03519	2.3
149.02444	1.1
149.04520	1.4
150.03275	1.9
153.74547	0.9
161.04585	6.1
164.04819	2.9
179.07091	2.2
195.05054	1.0
205.05156	1.1
213.09258	3.6
227.16560	1.3
271.02597	1.3
284.03403	1.2
285.03973	1.4
313.06818	1.0
371.20737	4.3
389.21793	8.3
419.13766	4.7
431.22864	100.0
432.23105	9.2
433.20477	1.2
468.43021	0.9
474.22910	1.2
533.25970	8.4
534.26581	1.6
651.23682	1.0
951.30792	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	948.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	28.0
71.54859	2.7
72.01694	1.8
72.99326	3.0
73.02946	4.7
83.01402	3.4
85.02983	8.8
86.03249	1.8
87.00873	6.3
89.02446	26.6
96.96053	2.7
97.02950	5.7
101.02453	23.0
105.42613	1.9
113.02451	13.1
119.03519	7.9
125.02481	12.1
127.69107	1.7
143.03479	3.2
151.78978	1.8
161.04559	5.4
171.10321	4.2
179.05600	4.6
209.11835	5.6
235.08269	11.1
255.23297	64.7
256.23648	22.6
258.58588	2.2
275.20029	4.2
276.20554	2.2
287.07837	3.0
293.21185	6.9
294.21661	2.4
305.08859	4.4
323.09769	2.3
334.74030	1.9
397.13544	100.0
398.13858	38.9
415.14584	28.4
416.14963	10.2
653.37640	2.9
654.37878	5.3
675.04041	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	948.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
88.98811	37.6
96.96028	82.0
209.11884	100.0
277.21820	56.2
499.92404	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24946	8.3
69.77086	0.9
71.01012	1.6
71.01388	27.0
72.99265	1.1
73.02953	7.1
80.08392	0.8
83.01385	2.5
85.02964	11.5
87.00883	1.9
89.02450	16.7
95.01408	4.2
97.02956	1.5
99.00864	1.2
101.02441	15.8
113.02458	23.8
119.03506	7.4
125.02430	1.0
131.03488	1.7
143.03459	3.1
149.04605	1.1
152.07193	1.0
161.04565	9.8
163.11278	2.0
163.77594	0.8
179.05609	9.6
179.10709	0.9
195.13980	1.4
225.14970	3.6
271.02350	1.5
300.02631	1.8
301.03497	1.1
369.19174	39.4
370.19495	2.7
387.20227	11.4
423.67285	0.9
429.21286	100.0
430.21661	7.3
463.08655	2.6
473.16040	1.4
547.73212	0.9
782.38660	0.9
879.77209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	1.9
71.01390	23.8
72.99311	2.3
73.02954	3.3
73.34728	0.4
75.00858	0.4
81.03448	0.8
83.01400	3.1
85.02956	6.2
87.00885	5.7
89.02455	21.2
91.04026	0.4
92.14026	0.5
95.01394	1.5
96.96015	0.5
97.02969	4.3
98.20663	1.0
99.00890	1.2
101.02453	19.0
107.14905	0.4
111.04538	0.9
113.02461	8.1
113.09689	0.7
115.82191	0.4
119.03517	5.3
121.02985	0.6
121.10243	0.9
125.01538	0.6
125.02457	8.6
131.03517	1.0
131.77194	0.4
133.05013	0.6
136.65756	0.4
138.99423	0.4
139.04025	0.7
141.01947	0.4
143.03499	3.6
154.56400	0.4
161.04597	4.3
169.05092	0.9
171.10234	2.5
179.05635	3.8
199.06136	0.5
209.11780	2.1
210.12158	1.1
212.39702	0.5
217.07423	0.5
221.06671	2.0
227.12859	0.5
235.08246	9.6
235.10437	0.8
245.06676	0.7
253.09308	2.0
255.23311	56.8
256.23572	3.0
275.20163	3.7
277.21771	1.0
278.22314	0.6
287.07800	2.7
293.21255	7.2
294.21759	0.6
305.08780	3.8
308.18771	0.5
323.09790	1.2
367.65753	0.5
379.12640	0.8
397.13535	100.0
398.13843	5.3
399.14023	0.6
415.14597	30.0
416.14813	1.9
566.51013	0.4
653.37531	7.9
654.37939	0.8
832.30475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06075	3.8
70.06469	2.9
70.76795	1.5
70.99582	1.1
71.01389	96.9
72.84592	1.2
72.99329	3.0
73.02955	58.6
73.03367	3.0
74.91956	1.2
83.01390	18.2
85.02961	21.9
87.00859	4.7
89.02451	49.9
95.01421	6.9
97.02946	2.3
98.20647	1.6
99.00887	3.9
101.02454	66.3
101.76926	1.3
107.40309	1.2
113.02460	41.6
119.03515	17.9
125.02480	2.7
131.03513	5.1
143.03503	6.6
149.04550	7.6
161.04582	25.0
162.06873	1.4
173.09660	3.4
179.05646	4.7
189.12854	29.3
207.13907	5.2
221.06726	3.8
361.77014	1.3
369.19180	19.7
387.20288	51.5
388.20377	2.1
429.21304	100.0
430.21512	6.3
431.19366	1.6
492.84033	1.3
639.45807	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	943.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	2.7
71.01391	21.3
71.55395	2.8
72.50452	2.2
73.02949	4.4
81.03476	2.4
83.01421	2.8
83.05046	3.6
84.31165	2.2
85.02956	5.7
87.00878	4.5
89.02459	22.4
90.00150	2.1
95.01380	2.7
97.02957	10.7
100.17782	2.1
101.02475	14.1
106.53429	2.0
109.06601	29.5
111.84692	2.0
113.02467	9.4
119.03495	4.8
121.06549	3.3
125.02451	8.4
135.08167	3.8
136.05237	2.4
137.43224	2.1
142.02782	2.9
143.03526	4.7
143.68015	2.0
151.04283	2.5
161.04704	2.9
163.11314	21.5
179.05606	5.3
181.12476	2.5
207.10286	100.0
208.10558	4.9
209.11748	3.3
225.11349	49.2
229.67134	3.0
235.08292	6.0
277.18872	4.4
277.21738	59.4
379.12323	7.3
391.18915	5.0
397.13483	46.4
398.13684	3.8
415.14447	12.7
587.23718	2.9
605.24561	9.3
623.25311	11.0
627.77802	2.7
865.46814	2.7
883.46985	73.3
884.47559	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	945.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94230	0.5
66.00333	0.5
69.03467	2.8
69.40783	2.8
69.41189	0.9
71.01390	70.4
72.01736	1.3
72.99316	3.2
73.02955	100.0
74.03302	1.4
75.00877	2.0
81.03479	0.7
83.01396	30.9
83.05032	4.7
84.01761	0.6
85.02963	9.6
87.00882	1.9
89.02453	15.2
95.01391	2.8
97.02958	1.7
99.00887	1.2
101.02456	88.4
102.02785	2.3
103.02821	0.6
113.02465	28.1
114.02772	1.4
117.19827	0.5
119.03505	13.4
121.06600	1.0
125.02461	3.7
128.78297	0.5
131.03528	9.7
143.03519	11.6
147.03001	1.2
149.04576	22.3
150.04935	1.0
155.03546	2.9
160.01675	0.7
161.04573	39.7
161.09673	0.6
162.04929	2.0
165.09290	0.9
179.10783	1.8
189.12836	2.0
191.05595	0.8
203.05624	5.3
205.12334	1.0
221.06694	18.6
222.06955	1.6
223.13362	0.8
235.06056	0.5
245.09424	0.6
298.55960	0.5
317.43201	0.5
327.05020	1.0
369.19089	1.9
387.20242	3.5
429.21335	12.1
430.21381	1.1
447.09296	0.6
473.16873	0.7
534.73083	0.5
550.35760	0.5
611.64398	0.6
776.66443	0.6
906.87262	0.5
979.58527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	15.2
71.35735	1.9
72.99329	2.2
83.05038	6.5
85.02979	5.4
87.00880	4.8
89.02444	12.8
96.96033	2.4
97.02967	2.8
101.02456	7.5
113.02465	7.7
119.03526	3.0
125.02412	3.5
143.03429	2.2
161.04553	4.8
163.11278	4.8
165.12846	3.6
166.81879	2.0
179.05681	3.2
209.11852	100.0
210.12247	2.9
227.12895	11.9
235.08234	3.9
271.49670	2.0
277.18890	3.9
277.21771	49.2
278.22076	4.5
291.19656	4.0
305.08835	4.5
379.12448	10.4
397.13605	39.1
398.13522	2.7
415.14349	10.2
569.19025	2.2
581.45105	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	947.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01013	1.7
71.01393	29.1
73.02956	8.2
83.01390	3.3
85.02954	12.1
87.00894	1.4
89.02454	21.4
95.01400	3.6
99.00852	1.3
101.02460	15.9
113.01730	1.4
113.02460	23.1
119.03512	7.0
125.02431	0.9
131.03453	1.5
143.03519	2.7
149.04526	1.2
161.04561	9.9
163.11296	1.8
169.37343	0.8
179.05632	8.0
184.89470	0.8
195.13870	2.0
225.14967	4.2
229.76112	1.2
271.02542	1.3
300.02692	1.0
369.19186	41.7
370.19455	3.3
387.20306	13.4
388.20251	1.0
414.26810	0.9
429.21313	100.0
430.21625	8.6
450.69046	0.9
463.08823	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	947.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
68.15254	1.9
69.03473	2.3
71.01392	91.5
72.99304	4.2
73.02956	52.1
83.01393	15.5
85.02958	26.9
87.00880	5.9
89.02456	52.3
94.59661	1.8
95.01395	7.1
97.02956	2.5
98.19912	7.9
99.00893	3.1
101.02454	66.9
101.03115	3.7
113.02464	40.5
119.03504	19.7
125.02426	3.7
131.03482	4.5
134.31894	1.9
143.03516	8.0
149.04549	7.5
161.04567	27.9
173.09677	4.6
179.05647	6.0
189.12857	34.6
203.05635	1.9
207.13979	5.9
221.06699	3.0
222.08899	1.9
230.18700	2.4
276.91495	2.0
306.90027	1.6
369.19150	15.9
387.20267	53.4
388.20844	3.9
429.21310	100.0
430.21762	7.6
875.63678	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	941.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99827	1.3
69.03457	1.5
70.01491	2.6
71.01389	32.9
71.55030	0.5
72.99323	3.3
73.02955	11.1
75.00880	14.8
81.03460	0.6
82.91458	0.5
83.01402	5.4
85.02960	25.5
86.00098	2.5
87.00883	11.3
87.04523	3.0
89.02453	6.0
95.01398	5.2
96.96004	1.1
97.02942	1.0
99.00269	1.0
99.00891	13.4
101.02453	12.5
101.03106	0.9
103.04012	1.7
111.00887	0.7
112.01672	0.8
113.02463	13.7
113.03246	0.7
115.00432	0.7
115.04015	4.4
119.03519	2.4
125.02496	0.7
129.01913	0.6
131.03529	6.3
134.41383	0.6
138.43799	0.5
139.00381	0.7
143.03505	6.2
145.05064	1.2
157.01437	0.9
160.41408	0.4
161.04549	1.1
163.06146	1.7
205.07050	2.6
239.46179	0.5
250.06860	0.5
256.66382	0.5
274.78766	0.5
455.35333	0.8
457.36908	0.8
615.38843	0.7
923.50580	1.8
941.51202	100.0
942.51434	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	941.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99847	1.5
69.03456	1.5
71.01390	23.4
72.81815	0.6
72.99310	1.9
73.02966	6.2
75.00880	8.9
83.01396	2.7
85.02959	21.0
86.00102	1.6
87.00890	10.0
87.04532	3.2
89.02446	2.7
95.01406	3.9
96.96013	2.0
98.20760	1.4
99.00272	1.2
99.00891	18.4
99.01541	1.2
101.02441	2.5
103.04028	1.0
111.00868	1.0
112.01664	1.4
113.02464	14.7
115.04018	3.1
122.79800	0.7
131.03516	4.7
143.03520	3.8
145.05113	0.7
157.01434	1.6
205.07140	1.2
213.09264	4.6
282.21890	0.8
395.81387	0.7
439.32242	2.9
469.33240	1.2
485.32794	1.8
487.34314	8.7
569.35413	1.8
601.37292	4.0
627.89044	0.8
645.36700	5.4
923.45911	1.4
941.47534	100.0
942.47961	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	941.512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38235	0.4
68.99819	1.8
69.03474	1.9
70.53532	0.5
70.53896	1.2
71.01389	31.0
72.01716	0.4
72.99313	2.8
73.02954	9.8
75.00880	13.0
75.01310	0.7
77.65665	0.5
83.01395	4.0
84.02171	0.5
85.02959	26.4
86.00092	1.9
86.03306	0.6
87.00883	10.8
87.04541	3.6
89.02463	6.9
95.00445	0.4
95.01402	6.6
96.96049	0.5
97.02956	0.9
99.00893	14.0
99.01546	0.8
101.02460	10.9
103.04028	2.3
109.08005	0.4
112.01667	1.1
113.02463	14.8
115.00346	0.6
115.04032	4.2
119.03542	2.3
119.04228	0.5
125.02460	1.0
131.03528	6.5
139.00383	0.7
143.03519	6.0
145.05072	1.0
157.01462	0.8
161.04544	0.9
163.06104	1.4
167.86766	0.4
193.58029	0.4
205.07198	3.4
206.70546	0.4
284.00488	0.5
368.72635	0.4
391.29883	0.5
437.34247	0.6
457.36923	0.9
803.78705	0.5
923.49847	1.3
941.51208	100.0
942.51477	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46406	0.1
68.99806	0.1
69.34267	0.9
71.01405	0.2
73.02951	0.2
79.30246	0.1
85.02959	0.1
91.01929	0.4
101.02428	0.1
117.03419	0.2
125.07190	0.1
132.02116	0.2
133.02968	0.5
133.06563	0.1
135.00894	0.8
143.05005	0.1
148.05316	9.7
149.05653	0.5
152.17732	0.1
153.01964	0.2
154.81606	0.1
160.01665	0.2
163.07658	7.4
164.07957	0.4
167.04959	0.2
169.06657	0.2
180.05849	0.3
181.06541	0.4
183.04512	0.3
185.06104	0.4
195.04526	0.5
196.05347	0.3
197.06102	0.9
208.05286	1.0
209.06076	1.8
211.03996	0.4
223.04054	0.8
224.04762	1.2
225.05559	1.9
235.04057	0.1
236.04716	0.2
237.05559	0.4
251.03493	1.7
252.04308	2.0
253.05070	25.5
254.05424	1.6
265.05069	0.9
272.99701	0.1
279.02939	0.8
280.03525	0.2
281.04568	100.0
282.04907	7.3
294.05151	0.1
295.06143	0.4
303.06680	0.4
309.04004	0.5
311.05713	0.1
323.05640	1.5
347.05524	0.3
447.39444	0.1
487.75677	0.1
715.45331	0.1
941.47046	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	939.4967
Annotation	Cephalostatin 14
Peak:m/z	Relative Intensity
69.03455	2.0
71.01392	30.3
71.54806	1.9
72.99314	3.9
73.02954	4.8
74.80615	1.3
75.00880	12.6
83.01382	4.1
84.74918	1.4
85.02962	22.8
86.00158	2.0
87.00880	12.1
87.04535	1.9
89.02443	9.3
95.01392	6.2
96.96026	3.4
99.00883	12.8
101.02460	8.4
103.04014	2.9
112.01612	2.2
113.02450	14.4
115.04025	3.2
119.03540	2.2
131.03496	5.7
139.00331	2.4
143.03517	5.2
157.01401	2.1
163.06155	1.6
205.07170	5.1
349.09598	1.4
407.32849	2.7
461.12976	1.6
921.48395	2.6
939.49652	100.0
940.50018	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	939.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00349	0.5
67.50075	0.4
71.01388	2.1
71.54682	0.6
73.02941	1.1
83.01390	0.6
89.02446	1.0
93.03480	0.6
101.02464	1.1
107.01327	0.4
109.02962	0.7
113.02461	1.1
119.03477	0.5
121.02991	0.7
125.02426	0.7
132.02171	0.6
133.02957	6.8
134.03746	0.4
135.04495	0.6
147.04524	0.5
149.02419	1.0
151.00356	0.5
157.85739	0.5
161.02405	1.3
163.00404	1.6
163.03963	1.7
165.01865	0.6
175.04048	2.0
179.35034	0.5
199.03999	1.0
201.01907	0.8
213.05598	0.6
225.05553	0.6
240.04308	0.5
241.05116	0.5
253.05119	1.0
269.04462	0.7
284.03259	5.0
285.04056	10.3
286.04501	0.7
297.04056	14.6
298.04825	11.0
299.05588	8.4
300.05762	0.5
306.00549	0.5
311.05576	3.4
324.02872	0.9
325.03534	1.2
327.05118	44.3
328.05463	2.7
339.05167	5.1
341.06503	0.8
357.06204	36.8
358.06613	1.9
369.06085	1.8
387.20203	2.3
399.07089	0.8
411.07101	0.9
420.33069	0.6
429.08395	3.9
447.09348	100.0
448.09747	9.0
449.22574	0.5
679.58777	0.5
691.58569	0.6
806.07062	0.5
952.38879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	1.9
69.03461	1.2
69.53077	4.1
71.01387	30.0
72.99310	3.6
73.02953	8.3
75.00875	10.4
81.03454	0.6
83.01390	3.8
85.02958	19.0
86.00090	2.0
87.00884	8.8
87.04511	2.5
89.02449	8.2
95.01412	4.6
96.95999	2.1
97.02949	1.1
98.19873	0.8
99.00890	12.5
101.02451	12.5
103.04018	2.4
113.01739	0.7
113.02466	11.1
115.04024	3.2
119.03490	1.3
125.02466	1.2
131.03513	6.3
143.03514	6.5
145.05064	0.7
161.04536	1.3
163.06067	2.1
205.07146	3.4
247.08110	0.6
453.33777	2.6
455.35294	1.2
523.37811	2.3
539.48871	0.6
583.28662	0.7
613.37085	1.5
679.66876	0.6
921.48248	2.2
939.49622	100.0
940.49994	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	939.4972
Annotation	Cephalostatin 14
Peak:m/z	Relative Intensity
66.07853	0.9
66.15152	0.8
67.17254	0.8
68.99819	1.2
69.03452	3.2
70.82997	1.9
70.83353	1.0
71.01389	24.8
71.48161	0.8
72.99303	2.6
73.02946	7.4
75.00878	20.7
83.01426	4.2
85.02956	22.6
86.00099	1.5
87.00873	1.4
89.02471	6.3
95.01399	3.7
96.95992	3.1
99.00893	17.1
101.02458	3.8
109.59643	0.9
113.02460	10.7
115.00394	1.2
117.00298	1.0
121.10346	0.8
125.02472	1.0
157.01408	0.9
243.47220	1.0
243.61623	0.9
394.16577	1.0
639.19745	0.9
746.38922	1.1
939.49664	100.0
940.50000	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	937.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01877	0.5
68.99809	1.7
69.03468	3.0
69.81568	2.3
71.01387	29.8
71.58742	0.5
72.99316	2.4
73.02956	7.7
75.00483	0.5
75.00880	6.9
81.89037	0.4
83.01396	3.7
85.02959	23.8
86.00113	2.5
86.03251	0.5
87.00887	7.2
87.04514	2.2
87.54530	0.4
89.02456	3.6
95.01415	4.0
96.96008	1.1
97.02960	7.0
97.37889	0.4
99.00893	21.0
99.04542	0.5
101.02477	3.0
103.04008	1.0
111.00870	0.6
112.01635	0.7
113.02459	9.9
115.00336	0.5
115.04014	2.7
125.02451	0.8
129.01968	0.6
131.03528	4.9
139.00279	0.5
143.03517	3.3
145.05103	0.7
157.01396	1.1
163.06108	0.5
190.97517	0.5
205.07155	1.7
394.78928	0.5
437.30450	2.2
439.32040	2.5
463.16751	0.4
507.34900	1.5
521.32507	0.8
553.35114	1.6
577.46014	0.5
597.34656	2.3
641.33447	1.7
919.43634	1.6
937.44482	100.0
938.44800	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	939.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52239	4.5
71.01385	2.0
73.02948	1.0
85.02919	0.6
101.02422	1.5
104.52201	0.7
109.02965	1.4
121.02966	0.9
133.02974	5.8
135.04506	0.8
149.02400	1.0
163.00334	1.4
163.04037	1.2
165.01967	1.1
175.04024	2.4
186.30960	0.6
199.03918	1.0
203.03514	0.7
225.05728	1.2
227.03770	0.7
238.04076	0.6
253.05051	1.4
255.02795	0.7
259.41907	0.7
269.04553	1.2
284.03217	4.5
285.04044	9.7
297.04056	12.8
298.04846	11.0
299.05569	8.0
311.05750	4.3
312.06049	1.0
324.02908	1.0
325.03586	0.8
327.05121	42.1
328.05408	2.7
339.05029	5.4
341.06592	0.9
357.06165	32.8
358.06570	1.9
369.06216	1.9
387.20355	1.0
411.07504	0.7
429.08258	3.9
447.09335	100.0
447.22437	2.7
448.09665	8.7
539.00781	0.7
614.79730	0.7
668.30902	0.7
782.77985	0.6
812.68616	0.7
916.61493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28914	24.0
71.01388	73.5
72.56653	2.7
72.99303	4.8
73.02947	31.7
83.01392	16.6
83.15860	2.9
85.02956	39.2
87.00893	17.4
89.02447	45.0
95.01381	9.0
96.96018	4.6
97.02985	3.0
99.00842	5.9
101.02451	72.0
106.06481	3.7
109.02991	2.9
113.02461	52.2
119.03508	16.1
121.02886	3.6
125.02474	5.1
128.45131	3.3
131.03487	7.3
143.03525	7.2
147.04521	5.1
149.04555	6.0
151.00369	3.1
159.03047	6.8
161.04538	27.6
179.05626	6.1
184.74397	3.2
189.31442	3.1
193.05153	2.9
227.03397	6.5
255.03024	10.6
268.03723	3.9
283.02496	3.9
284.03363	16.9
285.04034	29.9
286.04596	3.2
325.05396	2.8
327.01688	3.2
327.06680	4.0
369.19180	10.3
371.20721	10.5
387.20267	56.3
388.20398	4.9
397.11356	9.0
413.21805	38.4
414.22177	3.4
429.21271	100.0
430.21649	7.7
431.09772	5.5
489.10458	7.6
559.15820	3.4
593.15161	8.2
623.14294	3.6
931.34790	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	931.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28914	24.0
71.01388	73.5
72.56653	2.7
72.99303	4.8
73.02947	31.7
83.01392	16.6
83.15860	2.9
85.02956	39.2
87.00893	17.4
89.02447	45.0
95.01381	9.0
96.96018	4.6
97.02985	3.0
99.00842	5.9
101.02451	72.0
106.06481	3.7
109.02991	2.9
113.02461	52.2
119.03508	16.1
121.02886	3.6
125.02474	5.1
128.45131	3.3
131.03487	7.3
143.03525	7.2
147.04521	5.1
149.04555	6.0
151.00369	3.1
159.03047	6.8
161.04538	27.6
179.05626	6.1
184.74397	3.2
189.31442	3.1
193.05153	2.9
227.03397	6.5
255.03024	10.6
268.03723	3.9
283.02496	3.9
284.03363	16.9
285.04034	29.9
286.04596	3.2
325.05396	2.8
327.01688	3.2
327.06680	4.0
369.19180	10.3
371.20721	10.5
387.20267	56.3
388.20398	4.9
397.11356	9.0
413.21805	38.4
414.22177	3.4
429.21271	100.0
430.21649	7.7
431.09772	5.5
489.10458	7.6
559.15820	3.4
593.15161	8.2
623.14294	3.6
931.34790	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	931.505
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11162	4.9
69.62230	24.3
69.62645	8.5
70.93153	5.6
71.01387	15.4
77.62919	4.8
89.02453	11.4
96.96033	8.9
98.19930	11.5
121.03046	5.4
142.07527	5.2
143.57268	5.7
161.04701	7.3
171.74304	5.2
209.11850	100.0
227.12872	23.0
255.23305	50.9
379.12503	22.5
397.13684	57.5
415.14459	7.2
589.25183	8.8
612.54584	6.3
620.48871	6.3
635.36774	8.2
653.37262	12.2
931.50763	54.5
932.50476	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	933.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	1.8
69.64599	4.9
71.01388	61.8
72.99321	2.9
73.02952	59.5
83.01395	18.7
85.02956	16.4
87.00877	3.2
89.02456	18.7
95.01400	3.7
97.03004	1.5
99.00871	4.8
101.02457	65.6
102.02772	1.0
113.02462	30.6
119.03510	9.4
125.02466	2.4
129.01953	1.2
131.03494	5.8
143.03526	6.2
149.04561	13.4
155.03540	2.2
159.03038	1.8
161.04567	31.4
177.79597	1.0
179.86678	1.2
203.05573	2.5
209.15511	1.6
221.06686	9.1
245.16594	1.1
299.75150	1.1
343.52908	1.0
353.19836	8.2
357.96622	1.2
371.20746	11.9
389.21832	23.4
390.21890	1.4
413.21869	32.5
414.22214	3.2
416.46909	1.0
431.22867	100.0
432.23193	11.3
432.73782	0.9
433.20642	1.8
446.60068	1.0
536.30072	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	935.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20070	1.2
69.03453	2.8
69.91691	2.9
71.01389	88.7
72.99315	4.5
73.02953	100.0
74.03272	2.0
75.00869	2.1
83.00925	2.1
83.01398	33.2
85.02960	14.5
87.00876	4.4
89.02457	24.2
95.01402	4.9
96.96023	2.0
97.02962	2.7
99.00884	2.8
101.02453	92.2
102.02795	1.4
111.08169	3.5
111.90971	1.2
113.02462	46.8
119.03528	13.3
125.02467	4.2
131.03520	9.3
133.69215	1.1
134.03842	1.4
143.03506	11.7
149.04561	17.3
151.03958	2.0
153.09225	33.1
154.09515	1.4
155.03497	2.5
161.03262	2.2
161.04567	37.3
170.22322	1.1
182.41603	1.1
192.94916	1.2
203.05669	3.0
207.13983	1.7
208.14281	1.8
209.15512	21.7
221.06677	10.5
227.16457	3.9
267.07083	1.4
285.04037	2.5
370.19595	2.3
371.20807	47.7
372.20944	4.7
388.21088	1.4
389.21979	10.6
415.23969	1.8
429.21268	6.0
430.21542	4.7
431.22845	95.7
432.23077	8.5
447.09564	2.4
570.36688	1.2
739.68097	1.6
805.41602	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	927.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01861	0.8
68.99831	1.6
69.03451	1.4
69.68006	2.8
71.01385	28.8
72.99313	3.5
73.02950	8.4
75.00880	15.2
83.01389	3.2
85.02956	33.4
86.00093	2.1
87.00880	11.3
87.04514	3.8
89.02456	5.1
95.01401	4.2
95.66927	0.5
96.96023	2.6
97.02983	0.8
99.00888	15.8
99.04526	0.8
101.02449	5.3
104.22659	0.5
111.63738	0.5
112.01677	1.6
113.02462	21.3
115.00401	1.0
115.04002	3.1
131.03499	8.2
139.00343	1.2
143.03522	6.0
145.05090	1.2
149.02423	0.6
157.01395	1.2
163.06114	1.3
165.05478	0.6
165.81853	0.5
179.03442	0.6
205.07170	2.3
241.66101	0.6
255.06735	0.5
425.34180	1.1
473.36621	2.8
480.42694	0.6
503.29700	0.5
517.35309	0.9
617.73206	0.6
883.38446	0.6
909.48334	0.9
924.02460	0.6
927.49664	100.0
928.50122	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	927.496
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01870	0.7
68.99830	1.4
69.03461	1.4
69.44101	2.7
71.01389	31.2
72.99297	2.4
73.02953	8.3
75.00878	16.0
81.03474	0.4
83.01396	3.9
83.05037	0.9
85.02958	26.9
86.00101	2.1
87.00875	9.4
87.04510	3.7
87.04966	0.6
89.02457	4.9
95.01385	3.0
95.09496	0.5
96.96008	2.2
97.02919	0.7
99.00887	14.0
99.04556	0.6
101.02452	5.9
108.29065	0.5
111.00890	0.7
113.02462	13.1
115.00393	0.8
115.04005	3.9
119.03486	0.6
125.02499	1.0
131.03526	6.0
131.07182	0.5
143.03500	5.2
145.05087	1.3
152.07135	0.5
157.01459	0.9
163.06114	0.8
189.12753	0.6
198.72537	0.5
205.07153	2.2
209.11856	2.8
255.62009	0.5
473.36490	1.3
483.35333	0.5
587.39941	1.1
631.38959	0.8
712.61414	0.5
883.42828	0.9
909.47797	1.3
919.60364	0.6
927.49689	100.0
928.50079	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	927.4968
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
68.99836	1.3
69.03455	1.2
69.03835	0.5
69.31334	4.4
71.01389	29.9
72.01723	0.6
72.99325	3.1
73.02958	8.5
75.00881	14.1
83.01402	2.9
84.02185	0.6
85.02959	32.7
86.00139	2.4
87.00889	10.6
87.04522	3.9
88.90305	0.4
89.02458	5.4
95.01404	4.5
96.96017	1.5
97.02962	0.9
98.19919	0.9
99.00890	17.4
99.04534	0.9
101.02463	5.1
112.01667	1.6
113.02467	22.3
114.02859	0.5
115.00356	0.5
115.04015	4.0
118.30106	0.5
119.03462	0.8
122.81548	0.5
125.02406	1.3
131.03519	7.9
139.00345	0.8
143.03506	5.4
145.05057	1.6
150.04634	0.5
157.01414	0.9
163.06139	1.4
205.07161	3.1
283.06238	1.1
362.07806	1.3
377.10297	2.9
378.10419	0.6
422.22467	0.6
473.25290	0.5
473.36313	1.3
597.24384	0.5
687.34717	0.6
744.16803	0.6
909.49792	0.6
927.49677	100.0
928.49957	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	927.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01861	0.8
68.99831	1.6
69.03451	1.4
69.68006	2.8
71.01385	28.8
72.99313	3.5
73.02950	8.4
75.00880	15.2
83.01389	3.2
85.02956	33.4
86.00093	2.1
87.00880	11.3
87.04514	3.8
89.02456	5.1
95.01401	4.2
95.66927	0.5
96.96023	2.6
97.02983	0.8
99.00888	15.8
99.04526	0.8
101.02449	5.3
104.22659	0.5
111.63738	0.5
112.01677	1.6
113.02462	21.3
115.00401	1.0
115.04002	3.1
131.03499	8.2
139.00343	1.2
143.03522	6.0
145.05090	1.2
149.02423	0.6
157.01395	1.2
163.06114	1.3
165.05478	0.6
165.81853	0.5
179.03442	0.6
205.07170	2.3
241.66101	0.6
255.06735	0.5
425.34180	1.1
473.36621	2.8
480.42694	0.6
503.29700	0.5
517.35309	0.9
617.73206	0.6
883.38446	0.6
909.48334	0.9
924.02460	0.6
927.49664	100.0
928.50122	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	925.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01244	0.5
67.01893	0.5
68.99822	1.5
69.03452	2.1
69.51224	3.2
71.01390	34.3
72.99306	3.7
73.02956	8.9
75.00882	13.9
80.34529	0.5
81.03442	0.6
83.01402	4.1
85.02959	20.1
86.00097	1.7
87.00346	0.5
87.00886	9.7
87.04518	3.2
89.02462	6.3
95.00838	0.6
95.01409	5.3
96.95997	1.8
97.02958	1.5
99.00280	0.9
99.00893	13.9
101.02447	11.3
103.04005	1.9
111.00862	0.9
112.01678	0.8
113.02459	13.0
115.04042	3.4
119.03502	1.8
125.02440	1.3
126.37836	0.5
131.03506	6.2
136.44250	0.5
137.02466	0.6
139.00362	0.5
143.03519	6.2
145.05098	1.1
157.01416	0.8
161.04536	1.0
163.06102	1.6
205.07211	3.0
211.26566	0.5
423.32922	0.6
439.36078	3.8
440.36063	0.6
509.39761	2.3
599.49609	0.5
832.41083	0.6
887.90356	0.6
907.51337	2.3
925.51746	100.0
926.52130	23.7
926.71027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99814	1.9
69.03448	1.4
69.52348	3.4
71.01388	27.5
72.99325	3.4
73.02953	7.8
75.00874	9.4
83.01398	4.2
83.52917	0.5
85.02957	16.0
86.00075	1.7
86.22187	0.5
87.00883	9.3
87.04552	2.6
89.02453	6.8
89.80724	0.5
93.83450	0.5
95.01394	4.5
96.95970	0.6
97.02961	0.9
98.19907	1.1
99.00895	9.9
101.02451	10.8
103.04040	3.0
111.00864	1.1
113.02455	10.5
115.00382	0.6
115.04009	3.4
119.03486	1.4
131.03519	5.0
143.03508	6.4
145.05090	1.0
152.77409	0.5
157.01463	0.7
161.04579	1.2
163.06105	2.2
182.73148	0.6
202.22919	0.5
205.07199	3.4
439.35767	3.3
440.36050	0.6
509.39938	2.1
553.38806	0.6
599.38812	0.7
907.50427	2.0
925.51697	100.0
926.52087	23.4
926.70941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00343	0.6
65.12350	0.3
69.28769	2.5
73.02959	0.3
83.01408	0.6
85.02972	0.3
89.02451	0.5
101.02467	1.0
107.01414	0.7
113.02421	0.3
121.02872	0.3
122.01968	0.3
131.03468	0.4
133.02980	2.2
149.02460	0.7
150.55774	0.3
151.00356	2.7
157.71320	0.3
175.04065	0.8
183.10265	0.5
185.06158	0.3
199.04059	0.6
201.01941	0.6
217.04929	0.5
227.03616	0.5
233.06725	0.3
241.05083	0.5
243.02907	0.3
255.03114	0.3
256.03793	1.9
269.04498	0.4
284.00043	0.7
284.03281	34.2
285.04056	83.2
286.04407	6.3
287.04684	0.6
293.08862	0.9
327.05035	1.5
373.22357	0.5
433.24698	1.9
447.09335	100.0
448.09650	11.9
449.10089	1.4
449.20477	0.8
461.07324	0.8
463.08783	0.7
477.19672	0.9
786.63867	0.3
884.35730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	0.7
68.99813	1.7
69.03456	1.3
71.01389	30.2
71.55431	0.7
72.99315	2.9
73.02950	8.8
73.90202	0.4
75.00876	16.6
79.14539	0.5
83.01379	3.3
85.02959	33.8
86.00108	2.5
87.00882	10.3
87.04520	3.7
89.02457	4.2
95.01405	4.2
96.96017	1.8
97.02940	0.8
99.00893	17.0
99.04537	0.9
101.02448	4.9
103.00315	0.5
103.04015	1.9
111.00855	0.7
112.01657	1.4
113.02463	22.8
114.02708	0.5
115.00373	0.7
115.04006	3.9
119.03472	0.7
122.03766	0.6
125.02470	1.1
129.01903	0.5
131.03514	8.7
134.03767	0.5
139.00352	1.6
143.03520	6.0
145.05069	1.2
152.79871	0.4
157.01424	1.9
161.04504	0.5
163.06110	1.2
205.07225	3.3
267.06680	1.2
282.55469	0.6
408.10303	0.5
441.21017	0.4
451.32077	0.6
471.34818	1.5
505.07172	0.6
812.38269	0.6
849.34363	0.5
868.29047	0.5
907.46844	0.8
925.48145	100.0
926.30084	1.1
926.48553	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	925.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.7
68.99809	1.7
69.03452	0.9
71.01386	22.9
71.02378	0.9
72.99303	2.1
73.02956	5.9
75.00880	11.9
83.01394	2.9
85.02959	16.4
86.00095	1.8
87.00884	7.1
87.04519	3.0
89.02446	2.1
95.01382	2.7
96.09469	0.4
96.96017	1.6
99.00278	0.9
99.00891	16.4
101.02448	2.2
103.04009	1.2
112.01686	1.0
113.02461	7.5
115.04041	2.5
122.70034	0.5
131.03519	5.2
143.03526	4.3
145.04959	0.6
154.08780	0.5
157.01401	1.2
161.53246	0.4
205.07193	1.3
218.50584	0.5
240.65941	0.6
243.33684	0.6
263.16531	0.6
278.50479	0.5
453.33728	0.7
469.33536	2.6
471.34769	6.1
472.35361	0.9
499.34485	0.5
513.35968	1.0
539.37531	4.5
540.37915	0.7
553.35211	1.3
567.36401	0.9
583.35999	0.5
585.37939	9.5
586.38470	1.2
603.39008	1.4
629.37030	6.5
630.37402	1.2
699.41376	1.0
717.41937	0.9
850.33972	0.6
863.48627	0.8
907.46722	1.6
925.48077	100.0
926.48444	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	925.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	15.0
70.16061	9.1
71.01378	9.3
73.02970	3.1
78.15660	2.4
79.60735	2.7
83.01392	9.6
85.02956	2.8
87.00851	3.7
89.02460	4.0
96.95977	7.6
98.19945	3.8
101.02439	4.2
105.34938	2.4
107.01398	24.8
109.02943	6.1
113.02407	2.4
113.50603	2.9
121.02939	7.0
124.01677	6.5
125.02396	2.9
134.03720	5.9
135.00862	3.2
145.02980	3.3
146.03757	2.9
149.02437	7.5
150.99197	5.3
151.00377	87.8
152.00090	3.3
152.01157	22.0
158.60892	2.6
161.02449	3.5
163.00330	4.9
169.01431	7.0
175.00333	5.9
175.02477	3.8
175.04012	5.1
178.99869	85.6
189.01927	3.6
192.00638	7.3
193.01395	12.4
198.03149	3.4
203.03484	8.5
214.02809	3.5
226.02698	6.7
227.03419	11.1
228.04074	2.7
237.01826	5.3
242.02107	3.8
243.02808	3.2
253.01451	7.1
254.02231	12.1
255.02933	20.4
262.97177	2.7
267.02841	5.7
267.07214	7.4
269.00916	12.5
270.01337	4.2
271.02420	23.7
273.03888	2.6
281.00858	5.4
282.01755	2.9
283.02472	5.5
292.03607	3.3
293.04584	3.0
295.02567	6.4
297.04050	3.2
299.01923	7.9
311.02121	5.1
341.02939	7.3
347.05740	2.9
375.05121	4.0
385.03485	3.4
389.02869	8.8
390.03424	3.3
391.04309	3.4
405.06119	9.2
407.04102	12.4
417.02484	3.7
418.03629	3.1
419.04053	6.7
420.04733	3.9
421.05615	5.5
433.01938	10.0
443.12030	20.7
445.00165	3.1
447.22040	3.4
449.04987	3.4
569.08832	4.0
583.04681	4.2
601.06110	26.5
602.06262	3.2
763.11639	83.2
764.11908	13.5
925.16803	100.0
925.35236	5.0
926.16675	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	923.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97614	0.5
67.01898	0.7
67.23948	0.6
68.99821	2.0
69.03456	1.5
69.65215	3.2
71.01389	33.0
72.99314	3.1
73.02953	8.7
75.00476	0.8
75.00885	15.3
83.01389	3.6
85.02959	33.8
86.00095	2.4
87.00883	10.7
87.04548	2.7
89.02466	5.1
95.01389	4.9
96.96021	3.4
97.02986	0.6
99.00888	17.7
101.02468	4.1
103.04042	1.3
110.08927	0.5
111.00918	0.7
112.01669	1.3
113.02457	22.5
114.02807	0.8
115.00404	0.8
115.04004	3.3
125.02451	0.9
131.03517	8.7
139.00414	1.2
143.03519	5.9
145.05078	1.2
157.01431	1.1
163.06186	1.0
165.02068	0.5
205.07152	3.0
218.37067	0.5
237.01714	0.6
255.03160	0.5
371.21109	0.6
405.27863	1.1
421.30615	0.7
449.30588	1.0
469.33044	1.6
541.64606	0.6
627.35468	1.4
905.45728	1.5
923.46497	100.0
924.46857	20.4
924.65833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5232
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34029	35.1
71.01375	20.1
78.28440	4.0
87.00879	5.0
89.02454	10.1
96.96004	10.7
98.19889	10.9
98.95570	4.6
101.02445	10.4
113.02456	8.1
115.00032	4.1
161.04626	5.5
168.94121	4.1
179.05559	5.1
184.13113	4.5
199.02095	4.3
209.09924	7.6
209.11855	100.0
227.12917	16.9
235.08191	6.0
239.82967	4.4
255.23320	54.0
268.66769	4.3
312.23889	5.0
379.12326	8.1
397.13672	43.3
415.14670	5.4
653.37244	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	923.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	0.8
68.09129	0.5
68.99819	1.9
69.03458	1.6
69.65233	3.5
71.01389	31.0
72.99319	3.0
73.02956	9.5
75.00885	15.1
75.88522	0.5
78.57888	0.5
80.41095	0.5
83.01398	3.5
84.02179	1.3
85.02962	35.3
86.00097	2.0
87.00883	11.4
87.04539	2.9
89.02464	5.9
91.13417	0.5
95.01405	4.8
96.96016	4.2
97.02955	0.9
99.00893	18.0
101.02454	5.2
103.04026	2.0
111.00869	0.7
112.01696	1.4
113.02462	25.6
114.02858	0.6
115.04031	3.2
119.03530	0.6
120.64431	0.7
125.02454	1.0
129.01923	0.8
131.03511	9.2
139.00354	0.7
143.03519	5.5
145.05164	1.4
154.78806	0.6
157.01428	1.6
163.06137	1.5
205.07195	3.1
267.94638	0.5
274.00043	0.6
370.91183	0.7
389.25281	0.6
396.10138	0.6
405.27863	0.7
449.30734	0.8
469.33347	1.8
788.79797	0.6
905.45605	1.2
923.46558	100.0
924.46906	22.5
924.65839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	16.9
71.55064	2.9
72.01752	1.7
86.03422	1.9
89.02457	2.9
101.02451	2.7
105.31240	2.0
118.69072	1.9
122.28892	1.6
136.01747	4.2
164.01178	4.7
171.10280	7.1
172.10638	2.1
207.10233	2.8
225.09331	2.8
225.11415	1.9
277.21957	8.7
278.22128	3.5
397.13696	3.3
399.13782	2.0
407.18661	100.0
408.19073	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	923.32
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	0.3
68.79079	0.2
71.01391	3.5
71.54728	0.4
73.02950	3.6
83.01386	1.8
85.02960	0.8
89.02438	1.8
91.81190	0.3
96.41539	0.3
96.96015	0.9
99.73703	0.2
101.02455	3.8
106.23148	0.2
107.01397	0.9
109.02942	0.3
112.97574	0.3
113.02474	3.0
119.03498	0.8
121.02988	0.4
125.02442	0.6
131.03523	0.7
133.02979	2.6
134.03687	0.5
143.03459	0.6
149.02426	0.8
149.04539	0.9
151.00375	2.6
161.04579	1.6
175.04012	1.0
183.99149	0.3
199.04013	1.1
201.01895	0.3
203.05539	0.3
211.04047	0.7
217.05125	0.6
221.06668	0.5
227.03615	0.5
239.03404	0.3
241.05005	0.5
243.03122	0.6
255.02931	1.1
256.03748	1.9
269.04681	0.5
271.02496	0.8
283.02594	0.3
283.06027	0.3
284.03287	34.6
285.04056	79.0
286.04401	5.5
287.38766	0.3
288.09509	0.3
297.04053	1.0
298.04718	0.7
299.05588	1.2
300.02820	2.0
301.03418	0.7
311.05698	0.4
327.05084	5.9
328.05362	0.3
330.27618	0.3
346.23212	0.3
357.06177	1.2
371.20749	2.8
373.18723	0.4
387.97183	0.3
389.21835	0.9
431.22891	5.2
432.23276	0.7
433.07837	0.7
444.57486	0.3
447.09338	100.0
448.09686	10.6
448.16052	0.5
505.09750	1.8
505.26581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.3
71.01388	3.9
71.55499	0.4
73.02570	0.4
73.02958	4.4
83.01395	1.6
85.02964	0.9
87.00870	0.5
89.02450	1.4
94.86510	0.3
100.58970	0.3
101.02454	4.1
107.01386	1.0
109.02951	0.3
113.02457	2.2
119.03517	1.0
133.02980	2.3
134.03662	0.9
135.04538	0.4
143.03516	0.6
149.02448	0.8
149.04553	1.2
151.00377	2.7
152.07173	0.6
161.04553	2.7
163.53726	0.3
175.03975	1.1
185.04692	0.3
193.04994	0.4
199.03934	1.5
211.04073	0.8
211.06023	0.4
217.05103	0.7
221.06606	0.8
227.03471	0.9
235.05994	0.3
255.02985	0.7
256.03766	2.0
283.02609	0.5
283.99991	0.8
284.03284	39.4
285.04053	88.7
286.04410	7.9
287.04703	0.8
327.05017	1.9
369.19153	0.5
373.18945	0.5
387.19858	0.4
429.21399	1.4
447.09354	100.0
448.09683	11.7
449.03513	0.4
449.09933	1.6
449.20230	1.0
471.15298	0.7
472.15378	0.3
473.15500	0.5
624.59955	0.3
636.18976	0.4
644.63049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.3
71.01388	3.9
71.55499	0.4
73.02570	0.4
73.02958	4.4
83.01395	1.6
85.02964	0.9
87.00870	0.5
89.02450	1.4
94.86510	0.3
100.58970	0.3
101.02454	4.1
107.01386	1.0
109.02951	0.3
113.02457	2.2
119.03517	1.0
133.02980	2.3
134.03662	0.9
135.04538	0.4
143.03516	0.6
149.02448	0.8
149.04553	1.2
151.00377	2.7
152.07173	0.6
161.04553	2.7
163.53726	0.3
175.03975	1.1
185.04692	0.3
193.04994	0.4
199.03934	1.5
211.04073	0.8
211.06023	0.4
217.05103	0.7
221.06606	0.8
227.03471	0.9
235.05994	0.3
255.02985	0.7
256.03766	2.0
283.02609	0.5
283.99991	0.8
284.03284	39.4
285.04053	88.7
286.04410	7.9
287.04703	0.8
327.05017	1.9
369.19153	0.5
373.18945	0.5
387.19858	0.4
429.21399	1.4
447.09354	100.0
448.09683	11.7
449.03513	0.4
449.09933	1.6
449.20230	1.0
471.15298	0.7
472.15378	0.3
473.15500	0.5
624.59955	0.3
636.18976	0.4
644.63049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47306	2.0
71.01396	12.5
73.02954	1.8
83.01413	2.2
83.05016	1.8
85.02975	1.8
87.00897	4.0
89.02453	13.2
97.02950	2.0
101.00656	1.9
101.02439	11.7
103.99100	2.1
113.02463	4.9
119.03508	5.3
125.02464	6.2
143.03508	2.2
161.04564	3.6
163.11243	2.8
165.12698	2.0
179.05598	4.4
207.14835	1.9
209.11835	100.0
210.12189	5.1
227.12874	27.7
230.01277	2.0
235.08244	6.5
273.13049	2.1
277.18912	3.3
277.21750	51.3
278.22141	5.5
287.07651	2.5
305.08746	4.4
379.12518	15.9
397.08334	4.3
397.13535	83.2
398.14017	6.0
415.14575	16.4
589.24957	4.7
607.25751	4.9
675.35767	6.3
921.46210	26.8
922.47015	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	921.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	0.4
69.18568	2.7
69.18890	0.4
69.58169	0.3
71.01383	0.7
72.81458	0.3
73.02944	0.6
77.03952	0.4
78.57061	0.2
78.95406	0.2
79.01909	0.5
83.01401	0.6
85.02946	0.3
89.02482	0.3
93.03439	0.4
101.02434	0.8
107.01418	0.7
109.02974	2.2
113.02448	0.7
119.05007	0.7
121.02932	1.5
123.04532	0.3
125.02466	1.0
133.02962	11.4
134.03763	0.3
135.04500	1.3
137.02467	0.5
137.06201	0.3
147.04507	1.2
148.01648	0.5
149.02443	1.6
151.00331	0.3
151.03976	0.5
151.38635	0.3
161.02463	1.2
161.04608	0.6
163.00406	1.5
163.04019	2.7
165.01939	2.0
173.02502	0.5
175.00349	0.4
175.04024	2.6
177.01804	0.7
179.03621	0.3
187.04015	0.3
189.01927	0.5
191.03543	1.5
193.01448	1.6
198.03104	0.3
199.04022	1.4
201.01939	0.9
203.03423	0.6
209.05896	0.4
211.03983	0.5
212.04828	0.4
213.05702	1.3
215.03560	0.5
221.06395	0.3
225.05598	0.7
227.03499	0.8
227.07062	0.4
237.05597	0.4
239.03575	0.5
240.04337	1.2
241.05043	0.9
253.05008	0.9
254.05841	0.5
255.03047	0.9
255.06622	1.0
256.03787	0.5
257.04507	0.6
259.06177	0.3
269.04529	0.8
271.06140	0.4
281.04630	0.5
283.06216	0.3
284.03281	8.9
285.04074	8.0
286.04300	0.4
297.04071	15.8
298.04816	9.2
299.05612	18.4
300.05954	1.1
309.04092	1.1
311.05621	2.5
324.02597	0.6
325.03467	1.3
327.05112	100.0
328.05453	8.0
329.05743	0.4
339.05103	3.1
340.05469	0.4
341.06552	0.9
357.06183	27.2
358.06555	1.7
369.06180	2.5
393.06143	1.4
403.60461	0.3
429.17401	0.5
447.09335	97.5
448.09662	10.8
448.15930	0.5
449.09827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84377	1.4
69.03508	2.1
69.52140	4.7
69.52560	6.2
70.51440	1.5
71.01389	100.0
73.02953	5.4
83.01376	2.2
83.05051	1.9
85.02961	7.3
87.00890	7.0
88.84490	1.6
89.02453	16.6
95.01403	3.5
96.96068	3.4
97.02948	8.2
99.00857	2.9
101.02457	14.9
109.06601	9.0
113.02464	11.8
113.03128	2.1
119.03516	4.9
122.71613	1.6
125.02454	6.1
125.09736	3.6
127.11253	2.2
135.08176	3.1
143.03450	3.1
155.10765	2.0
161.04546	3.8
163.11299	4.9
165.09206	1.6
171.10283	61.2
172.10524	2.1
179.05687	3.9
181.12384	1.9
199.09717	13.4
201.09601	2.3
201.11354	24.9
207.10280	23.6
221.06621	3.3
225.11362	20.6
235.08244	5.6
243.12421	4.5
253.09164	2.8
277.21741	58.0
278.22162	5.3
285.03949	1.6
287.07791	1.8
330.30072	1.5
332.87204	1.5
379.12250	4.8
397.13547	34.1
398.14059	2.0
415.14685	11.2
571.45093	1.7
597.24036	2.6
605.24347	3.2
623.25708	5.7
857.46918	2.1
883.46155	9.3
884.47699	2.2
901.48755	4.2
919.49011	16.1
920.49414	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	921.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08659	0.3
70.15147	0.4
71.01366	0.5
73.02931	0.5
77.03984	0.5
79.01913	0.4
92.12783	0.4
93.79546	0.4
98.34892	0.4
107.01385	0.5
109.02950	1.8
119.05009	0.6
120.85600	0.4
121.02934	1.2
125.02424	1.2
133.02969	10.8
135.04509	0.9
147.04512	1.4
149.02443	1.5
151.00343	0.6
151.04050	0.7
161.02446	1.0
163.00377	1.6
163.04031	2.9
165.01923	1.1
175.00352	0.4
175.03992	3.3
177.01979	1.1
179.03482	0.5
191.03539	1.9
193.01457	1.5
199.03963	1.0
201.01910	1.2
203.03506	0.8
210.65031	0.4
211.03935	0.8
213.05579	1.0
215.03609	0.4
217.04976	0.5
224.04691	0.5
225.05524	0.5
227.03514	0.4
227.07199	0.4
231.06683	0.4
231.49217	0.4
240.04266	0.5
241.05090	1.2
242.02399	0.5
253.05028	1.0
255.03003	0.9
255.06740	0.5
269.04645	1.2
284.03250	8.8
284.06369	0.3
285.03979	7.1
286.04330	0.6
297.04056	15.5
298.04785	7.9
299.05603	16.1
300.05872	1.2
309.04062	1.1
310.83246	0.3
311.05603	2.8
324.02612	0.6
325.03409	0.9
327.05099	100.0
328.05457	8.6
329.05716	1.6
339.05225	3.3
340.05148	0.5
341.06589	1.2
357.06161	26.0
358.06522	2.9
369.06110	2.9
379.89877	0.4
393.06262	1.1
411.06894	0.7
436.81976	0.4
447.09329	99.7
448.09659	10.5
449.10022	2.0
605.38464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44498	0.1
68.58936	0.1
71.01391	1.8
71.02772	0.4
73.02942	1.5
73.34742	0.2
79.08736	0.1
81.03454	1.0
83.01397	0.4
85.02914	0.3
87.06627	0.1
89.02445	0.4
95.01366	0.3
96.96010	0.6
99.36878	0.1
101.02432	1.2
108.02177	0.6
109.02986	0.2
113.02457	0.6
122.03754	8.3
124.01741	0.2
125.02489	0.8
130.29181	0.2
136.01660	0.2
137.02446	0.8
149.04572	0.3
150.06821	0.2
154.02739	0.2
156.05852	0.3
161.04550	0.2
169.06688	0.2
169.10289	1.2
171.08180	4.6
172.08415	0.2
213.09239	100.0
214.09590	5.5
217.63454	0.2
237.09311	0.7
255.10294	0.2
282.05243	0.2
357.13327	0.2
415.23322	0.2
417.15543	4.3
418.15781	0.4
602.94775	0.2
647.08112	0.2
859.89203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03475	3.2
69.31684	4.9
69.32087	1.1
71.01389	68.1
72.01743	1.0
72.02138	0.6
72.99322	2.2
73.02954	100.0
74.03307	0.9
75.00887	1.7
81.03477	0.6
83.01396	27.1
85.02960	11.6
87.00877	2.5
89.02453	16.1
95.01400	4.1
95.22527	0.6
97.02962	1.4
99.00887	1.6
101.02453	96.0
102.02766	1.6
113.02461	38.9
114.02767	1.1
119.03515	13.3
125.02476	4.4
131.03522	12.0
132.62250	0.6
143.03513	11.7
147.02936	1.0
149.04565	21.7
150.04939	0.6
155.03546	3.0
161.04564	36.9
162.04849	0.8
175.52673	0.5
179.05637	1.4
183.78535	0.6
203.05597	4.9
221.06662	13.6
238.26152	0.7
317.30460	0.7
373.22217	0.9
415.23386	6.7
534.21753	0.6
647.25439	0.6
686.87146	0.6
747.74176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	2.0
69.94000	3.4
71.01388	55.0
72.01727	2.3
72.99290	3.1
73.02954	63.9
74.03278	2.3
75.00883	1.9
80.42381	0.9
81.03465	1.7
81.89572	0.9
83.01396	20.4
84.01720	0.8
85.02962	9.7
87.00867	2.7
89.02454	14.7
95.01381	3.1
97.02960	1.9
99.00870	1.1
99.04543	1.6
101.02451	62.3
102.02773	2.1
103.02863	1.2
113.02457	25.2
114.02756	1.2
119.03519	9.7
119.04990	0.7
121.02918	0.9
125.02437	2.9
125.77433	1.0
131.03511	6.4
135.04500	1.0
137.02373	1.0
143.03502	7.2
149.04567	10.2
150.04921	1.4
155.03479	2.2
161.04576	20.3
162.04936	1.4
163.04007	1.1
164.97293	0.8
165.05609	2.2
166.64563	0.8
170.90085	0.8
179.05560	1.2
191.05519	0.9
193.05151	1.0
203.05569	2.9
221.06770	5.1
223.05986	1.3
255.03017	30.0
256.03470	3.0
269.04620	2.8
279.16043	2.4
283.02505	23.7
284.03253	24.5
285.03964	4.8
297.04016	5.9
298.04828	9.9
299.05609	28.1
313.03479	2.7
327.05020	3.5
357.06128	1.2
371.20697	1.3
413.22217	1.3
415.23123	0.9
446.08502	16.2
447.09180	3.3
459.22528	3.9
461.10919	100.0
462.11264	7.8
763.26984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.6
69.57983	1.9
71.01376	1.1
73.02951	1.5
75.78856	0.3
77.03956	0.4
79.01895	0.4
83.01412	0.6
97.02947	0.4
101.02422	0.6
107.01375	0.6
109.02950	1.7
113.02470	0.6
115.45898	0.3
119.05033	0.7
121.02967	1.2
125.02454	1.1
133.01942	0.5
133.02957	10.0
133.03906	0.6
134.03702	0.3
135.04529	1.3
137.02379	0.4
147.04518	1.1
149.02451	1.0
151.00331	0.5
151.04016	0.4
161.02426	1.2
161.04602	0.4
163.00342	1.4
163.04016	2.6
165.01929	1.3
173.02400	0.4
175.03969	2.1
177.01851	0.7
189.01990	0.4
191.03487	1.5
193.01418	0.9
197.06009	0.4
199.04016	1.0
201.01962	1.3
203.03450	0.4
211.04086	0.4
212.04707	0.5
213.05565	1.2
217.05090	0.4
221.04192	0.3
225.05629	0.4
227.03574	0.5
227.07124	0.5
240.04311	0.6
241.05006	0.6
243.02966	0.6
253.05049	0.7
255.02963	0.7
255.06717	0.7
256.03763	0.6
257.04514	0.6
269.04605	0.8
271.06287	0.5
281.04581	0.6
284.03268	8.1
285.04077	6.4
297.04059	14.7
298.04794	7.9
299.05621	16.5
300.05930	1.1
309.04105	0.9
311.05713	2.1
325.03668	0.9
327.05124	96.5
328.05475	7.6
339.05219	3.3
341.06628	0.9
351.05054	0.4
357.06186	24.6
358.06528	1.6
369.06113	2.6
393.06070	1.0
411.07138	0.5
447.09363	100.0
448.09689	10.4
471.15070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
67.56202	0.2
69.03490	0.5
70.28765	0.4
70.29154	0.4
71.01390	3.4
73.02951	1.0
81.03475	0.2
83.01405	0.2
85.02966	0.3
89.02455	3.3
93.70013	0.2
97.02983	0.6
99.00919	0.8
101.02463	0.9
111.00928	0.2
113.02467	0.5
115.04045	0.5
121.02968	0.5
122.03777	1.0
125.02475	2.0
131.03572	0.4
147.04564	1.0
148.05322	100.0
149.04572	0.6
149.05627	3.7
163.07666	95.2
164.07985	4.3
171.08167	0.5
184.64473	0.2
191.05692	0.5
203.05698	0.3
213.09210	3.8
214.09537	0.2
233.06612	1.6
242.19838	0.2
293.08804	4.6
367.14044	1.3
507.18762	9.2
508.19019	1.0
585.02081	0.2
870.40546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.8
70.48387	2.2
70.48758	2.3
71.01382	17.4
72.99310	1.4
73.02959	2.7
76.65589	1.0
80.02679	2.1
81.03449	2.2
83.01414	1.9
83.05042	6.6
85.02963	3.0
87.00880	3.8
89.02459	11.5
91.34505	1.0
94.11694	0.9
95.01408	1.1
96.96022	2.9
97.02958	2.8
101.02445	12.7
113.02464	5.2
119.03521	2.5
125.02463	5.8
135.08247	0.9
143.03540	2.1
148.32185	1.0
161.04581	3.8
163.11273	3.8
165.12906	2.7
174.58957	1.0
179.05634	2.9
189.39503	0.9
191.10794	1.4
209.11830	100.0
210.12184	5.2
221.06693	2.0
227.12869	12.2
235.08229	4.7
259.15405	2.2
277.21729	59.5
278.22098	3.7
287.07776	2.0
305.08875	2.1
379.12518	9.7
390.92468	1.1
397.13535	45.6
398.13782	2.4
407.17377	1.0
415.14597	9.0
675.36987	1.3
731.20850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03481	3.0
69.45357	10.6
70.93613	2.0
71.01392	57.2
72.99313	5.3
73.02962	18.1
79.95725	2.4
80.70932	1.7
81.03477	2.5
83.01386	11.3
85.02960	29.6
87.00884	10.8
89.02457	19.9
95.01400	5.4
96.96014	13.9
97.02946	6.3
99.00888	7.9
99.04514	3.1
101.02456	45.5
108.02228	2.3
111.00873	9.0
112.01643	2.2
113.02467	27.7
119.03503	8.0
119.05003	2.1
123.04508	2.3
125.02454	13.1
134.03767	2.4
137.02458	4.2
143.03508	3.4
145.02934	2.4
148.05327	21.8
149.04561	3.8
150.92230	2.0
159.03069	2.8
161.04565	5.1
163.04060	3.0
163.07672	22.1
165.05533	1.7
175.03899	2.4
179.05553	2.4
180.55920	1.7
224.47427	2.0
237.96930	1.9
239.07175	2.2
242.44084	1.8
251.07182	2.5
267.06668	5.9
269.04538	2.5
279.06723	4.4
279.09921	2.5
282.08948	3.4
294.09125	2.9
295.06247	2.4
309.07251	2.3
322.08557	3.4
323.05499	4.4
338.07968	7.0
341.10214	7.3
345.30142	4.6
353.10294	28.9
354.10645	3.4
395.20706	3.0
401.25333	3.5
419.26532	5.5
461.27777	7.5
489.34793	2.0
507.35422	6.8
539.40613	1.9
551.27814	1.7
651.39795	5.0
669.40558	5.4
725.39825	2.3
733.62195	2.1
743.21942	2.6
755.21674	3.3
773.23444	4.4
774.23358	2.1
785.43030	2.3
813.44965	100.0
814.45325	17.4
815.24493	3.4
831.46045	44.2
832.45685	8.9
873.31653	3.4
873.47168	40.0
874.46960	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	917.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47280	4.6
71.01395	4.0
73.02964	1.0
78.98599	3.9
79.95728	5.7
80.96523	42.7
85.02974	1.4
87.00878	1.7
94.98090	10.8
96.96026	2.1
97.02925	1.5
98.20605	1.1
101.02434	1.1
106.98116	1.9
111.20752	0.7
122.97574	3.3
125.02476	1.8
134.97551	3.5
136.99217	1.2
148.99139	3.7
152.98682	3.9
164.98659	8.8
167.00325	0.7
206.99713	2.3
225.00755	12.7
225.07031	1.2
225.09203	17.5
226.09631	1.3
237.09181	5.5
255.23228	1.7
295.17032	19.7
296.17361	2.3
299.04459	2.7
335.09024	0.7
339.16016	57.1
340.16312	5.7
348.72543	0.6
400.31201	0.7
521.13861	0.8
555.28442	100.0
556.28833	12.8
667.58911	0.8
784.57233	0.7
878.52332	0.7
917.43689	5.4
918.44299	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	917.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03481	3.0
69.45357	10.6
70.93613	2.0
71.01392	57.2
72.99313	5.3
73.02962	18.1
79.95725	2.4
80.70932	1.7
81.03477	2.5
83.01386	11.3
85.02960	29.6
87.00884	10.8
89.02457	19.9
95.01400	5.4
96.96014	13.9
97.02946	6.3
99.00888	7.9
99.04514	3.1
101.02456	45.5
108.02228	2.3
111.00873	9.0
112.01643	2.2
113.02467	27.7
119.03503	8.0
119.05003	2.1
123.04508	2.3
125.02454	13.1
134.03767	2.4
137.02458	4.2
143.03508	3.4
145.02934	2.4
148.05327	21.8
149.04561	3.8
150.92230	2.0
159.03069	2.8
161.04565	5.1
163.04060	3.0
163.07672	22.1
165.05533	1.7
175.03899	2.4
179.05553	2.4
180.55920	1.7
224.47427	2.0
237.96930	1.9
239.07175	2.2
242.44084	1.8
251.07182	2.5
267.06668	5.9
269.04538	2.5
279.06723	4.4
279.09921	2.5
282.08948	3.4
294.09125	2.9
295.06247	2.4
309.07251	2.3
322.08557	3.4
323.05499	4.4
338.07968	7.0
341.10214	7.3
345.30142	4.6
353.10294	28.9
354.10645	3.4
395.20706	3.0
401.25333	3.5
419.26532	5.5
461.27777	7.5
489.34793	2.0
507.35422	6.8
539.40613	1.9
551.27814	1.7
651.39795	5.0
669.40558	5.4
725.39825	2.3
733.62195	2.1
743.21942	2.6
755.21674	3.3
773.23444	4.4
774.23358	2.1
785.43030	2.3
813.44965	100.0
814.45325	17.4
815.24493	3.4
831.46045	44.2
832.45685	8.9
873.31653	3.4
873.47168	40.0
874.46960	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	911.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.5
67.19651	0.2
68.99815	1.3
69.03474	1.3
70.40192	0.8
70.40538	0.2
71.01388	27.7
72.01712	0.2
72.99313	2.8
73.02953	8.6
73.41702	0.2
75.00880	15.3
83.01394	3.1
84.02145	0.6
85.02958	32.8
86.00098	3.0
86.03304	0.5
87.00883	10.4
87.04520	3.7
89.02444	3.8
91.83511	0.2
95.01405	4.1
96.03065	0.2
97.02950	0.4
99.00890	15.6
99.04523	0.4
101.02452	3.7
103.04025	1.8
109.02979	0.3
111.00867	0.9
112.01679	1.5
113.02460	21.5
114.02770	0.5
115.00388	0.6
115.04022	4.8
119.03466	0.4
125.02418	0.6
131.03517	7.9
139.00407	1.3
143.02425	0.5
143.03508	6.1
145.05074	1.0
157.01457	1.2
161.53737	0.3
163.06123	1.2
182.04674	0.3
205.07193	2.6
247.08340	0.7
391.29935	0.4
425.34167	0.3
437.34070	0.8
438.51935	0.3
455.35492	0.2
457.36990	1.1
501.35803	0.3
615.38831	0.6
647.46417	0.3
674.69214	0.2
893.48407	1.2
904.98633	0.2
911.50146	100.0
912.50507	23.6
912.69037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87097	0.3
65.00338	0.4
69.30451	0.9
69.30859	2.5
71.01388	6.0
72.99324	0.5
83.01389	0.7
85.02953	1.3
89.02460	5.3
93.84473	0.4
98.20721	0.9
99.04524	1.7
101.02462	3.5
105.54130	0.4
107.01402	0.7
108.02187	0.7
109.02985	0.5
110.96976	0.4
113.02473	2.5
115.27194	0.4
119.03516	1.5
121.02981	0.5
143.41866	0.4
147.02147	0.4
148.01694	0.4
151.00372	4.3
152.00879	0.5
160.71606	0.5
163.00398	1.0
165.12854	1.8
178.99887	1.5
189.12904	0.5
191.03415	0.7
203.44965	0.4
207.13905	4.6
209.11838	10.7
210.12219	0.5
225.15010	4.8
227.03477	1.2
243.03056	3.3
245.04599	0.6
251.12923	2.5
255.02991	8.4
256.03433	1.6
269.13959	28.3
270.14362	1.4
271.02493	17.5
272.02954	2.5
273.03403	0.7
283.02655	0.6
284.03452	1.9
285.03894	4.1
286.04309	2.5
287.04648	0.9
287.15091	0.7
299.01990	0.8
300.02762	33.1
301.03430	16.6
302.03680	3.4
303.04092	0.8
417.15375	0.5
447.09433	1.9
448.09955	1.9
449.10049	2.5
449.20309	100.0
450.20621	9.8
463.08847	33.5
464.09149	7.3
465.09436	3.3
593.14868	0.7
605.98889	0.4
787.74207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.7
65.33630	0.5
107.01430	1.1
108.02222	0.9
109.02958	0.6
109.29143	0.6
121.02959	0.8
133.02963	1.4
148.01709	0.7
148.22890	0.5
149.02422	0.9
151.00357	7.6
152.00787	0.6
163.00348	1.7
165.36168	0.5
175.03986	0.9
178.99855	3.8
182.58470	0.5
199.03987	0.9
211.03976	0.9
215.03473	0.5
216.04254	0.6
227.03545	1.4
243.03012	5.0
245.04453	1.1
254.02280	1.5
255.02995	14.5
256.03577	2.0
271.02478	30.7
272.02829	2.3
273.04044	0.9
283.02393	0.9
284.00943	0.4
284.03271	20.0
285.04050	42.5
286.04474	3.2
299.02112	1.4
300.02759	64.0
301.03494	32.6
302.03867	1.3
422.71231	0.6
447.09366	48.3
448.09644	5.2
461.07007	0.6
462.07748	1.1
463.08838	100.0
464.09134	9.0
525.53143	0.5
615.43176	0.6
773.29468	0.5
790.19562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	1.4
69.03459	1.5
70.00487	1.8
71.01389	31.5
71.05028	0.4
72.99315	2.1
73.02954	10.2
75.00879	14.2
83.01395	4.2
85.02957	26.9
86.00096	1.5
86.03281	0.5
86.58389	0.4
87.00888	8.8
87.04523	2.6
89.02464	4.7
95.01400	2.9
96.96010	1.5
97.02937	0.7
98.61132	0.4
99.00892	14.3
99.04526	0.5
101.02448	4.9
103.03998	1.5
111.00851	0.9
112.01686	0.5
113.02464	11.7
115.00404	0.7
115.04020	3.7
125.02398	0.5
131.03519	8.0
137.09662	0.4
143.03505	4.9
145.05013	1.2
157.01439	1.2
163.06137	0.9
164.41331	0.4
205.07220	2.0
213.09225	1.0
236.01909	0.5
257.08282	2.0
284.66736	0.5
455.35318	1.0
691.67426	0.4
893.49091	1.0
911.50177	100.0
912.50439	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	909.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01903	0.8
68.30858	0.5
68.99810	1.5
69.03436	1.1
69.28874	1.4
69.29292	3.6
71.01388	33.8
72.99304	3.4
73.02952	10.1
75.00881	12.3
83.01385	5.2
85.02957	22.8
86.00094	1.9
86.79876	0.5
87.00875	9.2
87.04520	3.1
89.02437	4.5
95.01382	3.0
96.96024	1.4
99.00888	14.6
103.03989	1.7
107.76675	0.5
111.00867	0.6
113.02462	10.8
114.06788	0.5
115.00339	0.6
115.03991	2.4
116.31808	0.5
119.03474	0.8
131.03542	5.9
137.02509	0.5
139.00366	0.6
143.03523	5.9
157.01382	1.5
159.04518	0.5
162.86391	0.6
163.06091	0.6
178.61507	0.6
205.07143	2.8
209.11838	1.6
227.14806	0.6
235.09799	0.6
453.27933	0.6
453.33459	2.7
523.38123	1.2
553.10944	0.6
571.17749	0.6
576.68250	0.5
891.47333	1.4
909.48596	100.0
910.48914	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27485	0.4
68.99813	1.3
69.03451	1.2
69.20226	1.0
69.20628	4.0
71.01389	27.5
72.99316	3.2
73.02559	0.6
73.02953	8.9
73.76122	0.4
75.00877	14.4
82.93381	0.4
83.01404	3.2
84.02177	0.5
85.02960	31.8
86.00114	2.9
86.03268	0.7
87.00876	10.0
87.04534	2.4
89.02455	4.2
95.01402	4.0
96.96012	1.8
97.02948	0.6
99.00891	16.5
103.04011	1.5
111.00838	0.6
112.01640	1.2
113.02461	21.3
114.02746	0.6
115.04034	4.0
123.00905	0.6
125.02295	0.4
131.03522	8.8
139.00340	1.2
143.03535	5.7
145.05035	1.0
157.01428	1.5
163.06137	1.2
205.07164	2.8
221.06142	0.5
262.43030	0.5
342.39127	0.5
375.27060	0.6
391.30066	2.5
394.65359	0.5
407.33118	2.9
435.32779	0.8
455.35269	1.5
891.48041	0.7
909.48572	100.0
910.48993	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	909.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99817	1.9
69.03447	0.6
69.51035	2.3
69.51448	0.8
71.01388	36.6
72.01762	0.6
72.99319	3.7
73.02567	0.6
73.02956	8.4
75.00879	13.6
83.01390	3.5
85.02959	25.2
86.00105	2.0
87.00885	8.7
87.04526	2.8
89.02441	3.6
95.01397	3.2
96.96016	2.7
98.20597	1.1
99.00883	14.8
103.04018	1.4
109.02995	0.5
111.00848	1.0
112.01677	1.7
113.02460	12.4
115.00319	0.5
115.04042	3.0
119.03474	0.9
121.02906	0.7
125.60680	0.5
125.86657	0.5
127.03938	0.6
131.03510	9.7
137.02472	0.7
143.03496	5.6
145.05067	1.0
157.01367	1.3
162.90735	0.5
163.06152	0.8
191.05644	1.7
205.07207	2.3
219.05142	0.6
221.15486	0.9
243.72009	0.4
245.06696	0.9
391.12234	0.9
437.30255	0.7
453.33780	1.5
523.38214	0.9
537.21411	0.6
696.51141	0.5
733.73126	0.5
891.48529	1.1
892.46808	0.7
909.48590	100.0
910.48871	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	909.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02429	0.4
65.00353	0.9
71.01390	2.4
71.55661	0.3
73.02961	1.0
75.12795	0.2
83.01405	0.8
85.02986	1.0
87.00893	0.3
89.02453	1.4
91.01917	0.5
95.01396	0.4
101.02453	1.7
107.01398	1.9
108.02213	0.9
109.02955	0.9
113.02470	2.1
119.03522	0.4
121.02962	1.4
123.04592	0.4
125.02434	0.3
135.00923	0.7
135.04555	0.8
143.03514	0.3
147.03180	0.2
148.01738	0.8
149.02441	1.6
151.00378	6.9
152.01065	0.3
161.04515	0.5
163.00417	1.9
164.01181	0.6
165.01970	0.4
169.01508	0.4
175.04070	0.3
178.99902	3.0
187.03885	0.3
192.00661	0.3
199.04018	0.5
201.05627	0.3
211.03981	0.7
215.03578	0.4
216.04411	0.3
226.02753	1.0
227.03557	1.2
227.16640	0.6
239.03185	0.3
243.02983	5.5
243.05313	0.4
244.03508	0.6
245.04579	1.2
254.02322	1.6
255.03003	15.9
256.03491	1.3
271.02505	32.6
271.05923	1.7
272.02982	2.8
273.03995	0.7
283.02463	1.0
283.05795	0.4
284.03336	0.6
284.06299	0.3
285.04059	1.0
299.02057	0.9
300.02777	68.0
301.03510	39.1
302.03845	2.5
307.28613	0.3
311.05786	0.5
312.06128	0.3
371.20776	3.2
372.21167	0.7
389.22092	1.3
431.09961	0.8
431.22900	8.5
432.10275	0.4
432.23196	1.9
433.07721	100.0
434.08078	9.2
447.09280	1.0
503.07150	0.2
575.17450	0.2
921.68555	0.2
922.36578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17583	0.6
65.00320	0.7
69.44262	1.5
69.44685	3.0
71.01392	3.3
73.02956	4.4
80.26956	0.5
83.01398	2.1
85.02955	0.9
89.02461	0.8
93.03488	0.9
96.96002	0.8
97.03026	0.8
97.15483	0.5
101.02458	3.6
107.01380	1.7
109.02946	2.3
111.83881	0.6
113.02446	1.4
115.64625	0.6
119.05039	0.7
121.02962	1.8
125.02475	0.7
133.02957	12.3
133.03903	0.8
135.04509	3.5
136.19501	0.6
148.01613	0.9
149.02440	2.4
151.00392	5.2
155.10800	0.5
161.02470	1.7
161.04541	1.0
163.00417	3.0
163.04027	1.5
165.01884	1.4
165.05603	0.6
175.03995	2.7
177.02008	1.2
191.03456	1.4
193.01381	1.0
199.04057	1.5
199.07607	0.8
201.01974	1.7
203.03517	1.1
213.05548	1.4
224.68158	0.6
225.05635	0.7
227.03456	0.8
241.05013	1.2
243.02954	1.7
253.05098	1.1
255.02945	3.1
255.06717	0.7
256.03546	1.4
269.04529	1.7
271.02518	4.8
271.05322	0.9
281.04340	0.6
284.03268	12.6
285.04062	44.5
286.04303	3.1
287.05692	1.8
287.13898	1.2
297.04074	19.5
298.04803	8.5
299.05573	14.5
300.02774	8.4
300.05923	0.9
301.03613	5.1
311.05670	4.1
324.02884	0.8
325.03500	1.2
327.05106	100.0
328.05478	8.0
339.05194	4.0
341.06546	1.0
343.04352	0.7
357.06183	50.4
358.06488	4.0
361.18546	0.9
369.06357	5.1
393.06247	1.8
403.19687	1.1
411.07391	0.8
429.08069	1.0
447.09335	77.6
448.09821	7.6
449.10889	1.9
744.20148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90597	1.0
69.03455	1.9
69.79928	7.0
70.79112	1.3
71.01392	33.8
71.26788	1.0
71.38729	1.0
72.99300	2.8
73.02953	7.5
75.00884	12.9
82.29790	1.0
83.01382	4.6
85.02956	20.0
86.00149	1.7
87.00886	8.3
87.04522	2.4
89.02450	3.8
92.98269	1.1
94.90826	1.3
95.01427	2.9
96.96022	3.5
98.20589	1.4
99.00887	13.8
101.02441	3.1
111.45917	1.4
113.02467	13.7
115.00342	1.4
115.04012	2.1
118.06108	1.0
131.03474	7.2
143.03514	4.8
157.01390	1.9
159.46706	1.3
172.22011	1.4
172.54491	1.2
205.07210	2.7
233.69910	1.0
451.32285	3.2
632.64429	1.3
907.47070	100.0
908.47437	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	907.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84464	0.8
71.01386	3.6
73.02949	0.8
77.03964	1.2
79.01906	0.5
85.02956	1.8
86.29538	0.6
89.02438	1.9
90.94311	0.5
93.03453	1.7
95.01391	1.0
99.00920	0.5
101.02435	2.2
105.03432	0.7
107.01432	0.5
113.02460	2.8
117.03471	7.9
119.05023	0.7
121.02975	1.9
135.04504	2.0
137.02461	0.6
145.03003	0.6
149.02411	2.6
159.04536	1.7
161.02461	2.9
161.04443	0.9
163.00386	0.5
163.04010	3.1
165.01915	0.8
183.04500	0.6
191.03500	1.3
193.01421	1.1
196.05214	0.5
197.06248	1.1
197.08394	0.4
203.03593	0.8
209.15500	0.8
211.07616	0.7
215.07167	0.7
227.16498	1.3
232.51486	0.4
239.07138	1.2
243.06616	0.6
253.05165	0.5
268.03848	2.3
269.04489	2.5
271.02502	0.8
281.04651	2.5
282.05344	1.5
283.06137	43.4
284.06433	4.1
285.06628	1.1
293.04547	2.2
295.06198	1.3
300.02823	1.6
301.03442	0.9
309.04199	0.7
311.05627	74.7
312.05939	8.2
313.06290	1.5
323.05554	3.5
341.06668	6.9
342.07217	0.7
366.00519	0.6
371.20721	11.9
372.21133	1.2
389.21945	3.4
431.09851	100.0
431.22589	15.9
432.10208	14.7
432.23151	1.7
433.10410	3.2
463.08743	3.0
612.97815	0.5
873.33875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02414	0.5
65.00330	0.7
69.26984	3.3
72.99284	0.4
73.02968	0.8
83.01423	0.7
85.02954	0.6
85.46926	0.4
87.00923	0.5
89.02449	1.0
90.75083	0.3
96.96019	0.6
99.04524	2.4
101.02464	1.5
107.01406	0.9
109.02966	0.6
113.02458	0.9
119.03642	0.4
122.06170	0.5
125.02459	1.4
131.69014	0.4
132.04529	1.2
133.02962	2.7
134.03738	0.9
135.04501	0.4
147.28273	0.4
149.02455	1.0
151.00397	2.7
152.03554	1.2
152.07166	1.4
161.04689	0.5
173.02666	0.3
175.04025	1.1
176.54071	0.4
187.03941	0.4
199.03943	0.9
202.03192	0.4
211.03998	0.8
213.05701	0.4
215.03787	0.4
217.05159	0.5
227.03508	0.8
228.04555	0.4
255.03011	1.3
256.03784	2.1
267.02921	0.4
268.03830	0.9
269.04428	0.9
274.42114	0.3
283.02670	0.8
283.06158	1.4
284.00040	0.9
284.03284	41.2
285.04044	71.1
286.04410	5.2
293.15851	0.5
297.03769	0.5
327.05164	0.8
341.11392	1.4
373.14044	1.6
374.14017	0.5
389.21997	0.8
410.20071	0.4
431.22943	0.6
447.09424	1.5
476.21890	0.5
489.10394	100.0
490.10776	11.2
533.26068	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00296	0.7
69.31451	2.0
69.31866	2.0
71.01384	2.5
71.06289	0.4
73.02946	1.5
75.00835	0.4
76.66203	0.5
79.01876	0.5
83.01414	0.5
85.02966	1.3
87.00881	1.0
89.02454	1.2
89.84691	0.4
95.01360	0.6
96.96004	1.3
97.02959	0.6
101.02463	2.3
107.01403	0.5
109.02959	2.1
113.02426	1.4
119.03510	0.4
121.02968	1.7
125.02427	0.9
133.02953	10.4
134.03786	0.6
135.04503	1.2
137.02419	0.6
147.04514	1.3
149.02483	1.9
151.00371	1.4
151.04002	0.9
161.02452	1.3
163.00392	2.1
163.04016	2.2
165.01910	1.2
173.02490	0.5
175.04016	1.8
177.01967	0.6
177.04031	0.7
179.03572	0.7
189.01846	0.6
191.03462	1.7
193.01505	1.2
195.04482	0.5
199.03984	2.1
201.01944	1.0
203.03531	0.7
211.03978	1.0
212.04919	0.6
213.05644	1.1
217.04904	0.6
225.05655	0.8
227.03471	0.8
241.05045	0.9
253.05103	1.9
255.03058	1.4
255.06621	0.9
256.03735	0.7
269.04446	1.1
271.02420	0.9
284.03271	9.1
285.04071	19.8
286.04453	1.6
297.04083	20.5
298.04803	7.8
299.05627	12.0
300.02820	1.1
300.05832	0.9
309.03946	0.6
311.05685	2.6
325.03775	1.0
327.05109	100.0
328.05533	7.5
337.03384	0.6
339.05124	4.0
341.06723	1.1
357.06183	42.8
358.06381	3.0
369.06189	4.5
393.06262	2.6
403.04327	1.3
403.19745	1.6
411.07205	1.0
429.08392	0.8
447.09360	52.0
448.09778	5.9
455.27222	0.5
530.26050	0.5
583.34784	0.5
905.17816	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	905.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05213	1.0
64.73412	1.1
65.00335	1.9
71.01389	22.5
71.55492	1.9
72.99316	1.9
73.02964	10.1
75.00875	2.6
83.01387	6.1
85.02958	11.0
86.32009	1.0
87.00883	1.7
89.02441	9.6
93.03440	1.5
95.01389	2.6
96.96019	4.7
99.00894	3.0
101.02455	20.5
107.01405	3.5
108.02228	1.2
110.23582	1.0
113.02459	14.4
115.00428	1.3
117.03469	2.0
119.03506	4.4
119.04980	1.3
121.03053	1.1
125.02472	1.6
129.01898	1.2
133.02956	4.4
135.04509	5.0
137.02464	1.2
143.03528	2.5
144.39326	1.0
147.04539	1.2
149.02467	2.6
149.04636	1.3
151.00357	11.7
152.01120	1.5
159.03018	1.4
161.02495	1.3
161.04570	7.8
163.00368	1.5
163.04034	2.1
175.03975	1.8
179.05719	1.6
199.04112	1.3
211.04007	2.3
221.06909	1.2
226.06381	2.9
239.03433	1.8
240.04239	2.8
241.08733	2.8
245.55319	1.3
255.03040	4.5
256.03418	1.8
267.03021	2.1
268.03784	69.0
269.04504	29.5
270.04904	1.9
271.02615	5.4
280.56232	1.2
283.06168	2.5
284.03229	10.3
285.04077	69.4
286.04361	4.9
287.05524	5.3
287.08768	1.9
297.04114	7.0
299.05670	3.0
300.02850	9.6
301.03406	3.0
311.05579	4.8
327.05142	14.4
357.05923	4.3
369.19138	3.9
387.20358	17.7
388.20715	2.3
392.82135	1.3
403.19608	2.9
429.16083	1.3
429.21417	26.2
430.21594	3.9
431.09863	100.0
432.10220	9.9
447.09363	56.2
448.09750	6.7
449.11285	5.7
905.33118	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	905.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28628	3.1
71.01388	3.5
73.02958	2.3
74.14311	0.4
77.03965	1.0
83.01382	1.1
85.02943	0.9
88.50785	0.4
89.02449	0.8
93.03480	1.9
98.20656	0.7
101.02461	3.1
105.03458	0.8
113.02461	1.5
117.03472	7.8
119.05034	1.1
121.02983	1.7
125.02450	0.7
133.02921	0.4
135.04497	1.4
135.75189	0.3
138.06885	0.7
147.04471	0.4
149.02464	1.8
149.04558	0.5
153.09209	3.0
159.04514	1.6
161.02429	2.4
161.04543	1.3
163.04016	3.0
165.01979	0.7
173.02328	0.5
179.03519	0.4
183.04526	0.4
191.03497	1.6
197.06097	0.9
203.03516	0.6
207.13933	0.4
209.06097	0.4
211.07625	0.7
215.07086	1.0
224.04781	0.5
225.14977	4.7
226.15164	0.4
239.07179	1.2
243.06812	0.4
268.03775	2.2
269.04495	2.2
281.04562	2.8
282.05350	2.0
283.06137	43.5
284.06503	3.7
293.04651	1.9
295.06067	1.3
309.04190	0.8
311.05624	78.3
312.06000	7.7
314.04654	0.6
323.05627	3.4
336.65744	0.4
341.06686	6.6
342.07172	0.7
353.06635	0.5
369.19214	5.6
387.20193	1.2
404.68509	0.4
429.21335	9.1
430.21411	1.3
431.09848	100.0
432.10214	11.4
433.10175	0.6
474.64246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32360	0.8
69.03444	1.2
71.01385	15.4
71.05028	1.5
71.11822	1.4
72.32574	0.8
72.99316	2.2
73.02966	2.5
75.38504	0.8
78.71447	0.8
78.99002	0.8
80.02685	0.8
81.03447	2.2
83.01398	2.7
83.05043	6.3
85.02971	4.9
87.00858	4.3
89.02448	11.4
95.01383	1.3
95.05064	1.0
96.96027	1.7
97.02956	2.8
101.02457	9.6
109.06591	1.1
109.59898	0.8
113.02457	7.2
119.03491	4.7
125.02448	5.4
143.03503	2.5
161.04575	2.9
163.11298	4.1
165.12825	2.6
179.05652	3.7
180.95320	0.7
181.12329	1.0
199.06046	0.9
203.05634	0.8
207.10361	0.8
209.11844	100.0
210.12198	6.3
211.13394	3.2
221.06818	1.1
223.17001	2.2
227.12883	14.2
231.21216	1.0
235.08232	5.3
235.17075	8.5
253.09384	1.1
275.20190	9.8
276.20477	0.9
293.21249	48.5
294.21622	4.4
305.08823	1.8
309.20804	2.5
379.12515	4.5
397.13525	37.5
398.13928	2.7
415.14688	8.8
607.26245	1.3
718.62061	1.0
901.46820	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	901.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51579	0.6
69.03456	1.7
69.28995	5.5
71.01013	1.0
71.01392	16.7
71.05029	1.4
72.99310	1.5
73.02942	1.8
73.53770	0.6
80.02686	1.0
81.03473	1.5
83.01399	1.2
83.05042	5.1
85.02967	4.6
87.00885	4.5
89.02453	11.3
95.01387	1.4
95.05075	0.8
96.96015	2.2
97.02968	2.6
101.02454	13.1
109.06662	0.9
111.04606	0.8
113.02454	7.5
119.03495	3.5
125.02495	5.2
130.66606	0.6
131.03479	0.9
135.08177	1.1
143.03517	1.8
156.86674	0.6
161.04553	3.2
163.11281	3.9
165.12869	2.7
179.05620	3.9
191.10727	0.7
199.06201	0.8
200.25179	0.6
209.11845	100.0
210.12236	5.7
211.13393	2.9
221.06644	2.0
223.17065	1.5
227.12906	11.9
235.08131	5.0
235.14854	0.6
235.17032	9.0
251.12845	1.0
253.09363	1.5
275.20163	11.0
276.20670	1.0
287.07776	1.3
293.21255	44.2
294.21503	3.7
305.08893	1.9
309.20767	1.4
323.09927	1.5
345.83524	0.7
367.68420	0.6
379.12494	5.2
391.68924	0.7
392.72247	0.6
397.13531	36.9
398.13870	2.3
415.14630	10.8
537.67188	0.8
607.26105	1.4
691.35760	0.8
767.43658	0.7
901.47070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21840	1.4
66.97350	1.3
69.03459	1.9
71.01015	2.0
71.01388	27.9
71.05016	3.3
71.54684	1.6
71.55059	1.5
72.10232	1.4
72.99338	1.6
73.02953	3.3
81.03458	1.5
83.01389	3.8
85.02952	3.9
87.00885	4.6
87.82303	1.5
89.02449	10.9
95.05054	2.0
96.96013	2.8
97.02953	6.3
97.06573	3.9
99.00878	14.8
101.02457	13.4
104.21430	1.4
109.06600	3.6
113.02473	7.7
119.03558	2.1
120.48463	1.5
123.08167	3.3
125.02438	4.9
125.09695	7.6
142.02692	1.3
143.03459	2.3
147.57988	1.4
149.09653	1.7
161.04549	1.6
163.11325	9.8
170.93024	1.8
171.10289	21.3
179.05542	1.9
181.12402	10.7
185.11880	1.4
193.12683	1.4
197.11789	2.2
199.13402	7.5
201.11342	4.5
207.10301	26.6
221.06593	2.1
225.11319	41.0
226.11687	2.9
235.08264	2.7
243.12398	10.6
277.21753	46.6
278.22064	5.3
329.12091	1.3
379.12439	4.2
397.13528	25.3
415.14609	3.5
420.47467	1.6
451.06442	1.7
623.25745	5.4
707.36285	1.6
836.60010	1.7
883.47668	2.2
901.48114	100.0
902.48474	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	901.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	0.7
68.98407	0.6
69.52676	2.9
69.53088	0.9
72.00440	0.5
76.30378	0.5
79.93787	0.4
83.01423	1.2
85.02947	0.5
86.97871	0.5
89.02459	0.7
93.03484	0.8
93.78015	0.4
96.96014	0.6
98.20599	0.7
101.02453	0.9
107.01396	2.0
113.02489	0.5
117.03524	0.7
119.05053	1.8
123.04536	0.9
135.00928	0.5
137.06081	1.6
146.03711	0.5
151.00381	5.4
152.01176	0.6
153.01915	0.5
153.05583	0.7
159.04500	0.9
163.00397	0.8
163.03990	1.2
165.74954	0.5
169.01443	0.5
178.99887	2.1
179.99825	0.5
183.04524	2.5
187.03912	1.0
199.03943	1.0
211.04013	2.6
227.03529	21.6
227.05774	1.1
228.03864	0.5
229.05075	1.0
239.03438	0.7
251.50034	0.5
255.03009	72.7
256.03552	6.1
257.04657	1.5
269.04550	0.9
271.02499	9.5
283.02505	53.2
284.03275	75.9
285.03973	16.7
286.04453	1.3
299.01999	16.4
300.02740	4.5
301.03488	0.8
309.04089	0.6
326.04477	0.8
327.05017	1.3
403.52222	0.5
446.08554	7.3
447.09491	0.8
451.76978	0.6
486.76633	0.6
574.31091	0.6
575.14337	0.7
739.20984	100.0
740.21283	14.5
755.20850	2.8
901.26245	8.7
902.26648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.263
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
63.02423	0.6
65.00348	0.9
69.93420	0.8
69.93823	0.7
71.01385	0.5
83.01397	0.3
83.97540	0.3
98.20538	0.6
101.02460	0.3
107.01402	1.4
108.02174	0.6
109.02985	0.6
121.02968	0.5
133.02954	0.6
143.05084	0.4
151.00374	6.0
152.04810	0.5
155.04979	0.4
167.07152	0.5
171.04532	0.7
175.03986	0.6
178.99933	1.9
199.04037	3.0
201.01918	0.9
203.03624	0.6
214.02710	0.3
215.03502	1.5
216.04152	0.5
226.02689	0.9
227.03531	3.5
242.02220	0.4
243.02983	5.4
244.03191	0.3
254.02361	0.5
255.03004	5.5
271.02496	61.6
272.02853	3.8
273.04114	0.6
299.01990	100.0
300.02698	31.4
301.03488	8.8
343.04468	0.4
446.08560	19.8
447.09045	2.8
755.20380	20.8
756.20703	2.5
767.40881	0.4
787.16412	0.3
901.26282	44.1
902.26581	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	899.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28053	1.4
69.03481	3.8
71.01397	13.3
71.55495	1.7
73.02947	2.5
75.00873	1.9
83.01385	3.3
85.02946	6.6
87.00882	3.1
89.02467	7.2
96.96020	4.5
97.02965	2.8
101.02470	7.6
113.02452	4.2
125.02425	1.8
151.11266	1.8
153.12886	1.3
161.09712	1.6
169.12416	1.4
179.10783	4.0
186.47046	1.3
193.94987	1.4
197.11858	54.3
198.12212	2.3
221.06625	2.2
223.09705	1.6
227.10715	2.2
241.10788	4.4
277.21729	19.1
397.13474	2.2
409.20236	4.3
689.95526	1.5
899.46539	100.0
900.46655	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	899.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
67.75569	2.9
71.01385	15.3
71.17815	3.3
71.18144	5.0
74.96597	3.0
77.05213	3.2
83.05040	5.1
84.96867	2.9
85.02944	3.4
87.00880	4.0
89.02466	12.7
96.96004	8.8
101.02457	11.8
113.02473	5.6
119.03563	4.0
125.02456	4.6
129.75760	3.4
137.95018	3.1
140.92915	3.3
141.95758	2.7
143.03494	4.7
153.01987	3.3
179.05630	4.5
209.11844	100.0
210.12250	5.7
221.06621	3.2
227.12961	29.2
235.08290	6.0
255.23328	50.2
256.23636	4.7
277.08365	2.8
287.07623	4.3
323.09689	3.9
379.12546	17.9
397.13571	67.6
398.13611	3.7
415.14630	11.3
508.21622	3.2
589.25262	7.3
607.26373	7.5
635.36639	8.2
653.37653	13.1
899.47668	43.0
900.47614	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	899.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	3.3
69.27753	0.8
70.42966	0.9
70.43310	3.2
71.01395	12.5
71.05055	1.3
71.69268	0.9
72.99324	1.2
73.02936	1.7
78.95473	0.8
83.01405	1.8
85.02953	3.0
87.00867	3.5
89.02451	7.4
95.01431	0.8
96.96056	2.2
97.02978	1.4
101.02454	9.1
113.02484	3.3
119.03519	1.5
123.08199	1.2
125.02443	1.8
125.09722	1.1
134.80965	1.0
143.03453	1.2
151.11285	1.6
161.04564	1.4
161.09743	4.3
179.10764	3.7
197.11850	32.0
198.12190	2.0
209.11746	1.2
219.58400	0.9
221.06616	1.5
227.12920	0.9
235.08260	1.4
241.10886	2.3
253.08937	1.0
277.21753	31.1
278.22034	2.8
312.85880	0.8
381.94186	1.1
397.13553	2.8
429.15967	1.0
518.28485	0.9
899.46564	100.0
900.46942	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	899.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
68.71027	0.7
69.38867	0.8
69.76949	4.3
85.02960	0.9
89.02417	1.1
93.03478	1.0
98.19924	0.8
104.09235	0.9
105.03457	0.9
109.88517	0.8
113.02502	0.8
117.03505	5.1
121.02999	1.4
132.03061	0.8
133.02884	0.9
135.04501	1.3
149.02438	1.2
149.59123	0.9
151.00380	1.9
159.04584	1.2
161.02502	1.9
163.00476	1.0
163.04028	2.2
173.04599	0.8
224.56741	0.8
239.07059	0.9
245.46005	0.8
255.03055	1.3
268.03702	1.9
269.04462	2.7
271.02496	3.0
281.04608	1.9
282.05368	1.3
283.06143	33.7
284.06546	2.9
293.04657	0.8
295.05984	1.1
300.02805	6.2
301.03409	2.3
311.05634	66.6
312.05862	4.4
323.05701	1.8
341.06628	8.3
399.08945	1.0
431.09842	100.0
432.10089	10.8
494.11069	0.8
609.14587	11.0
610.14893	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	899.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.6
65.05151	0.6
70.73598	1.0
73.49345	0.5
74.02468	0.8
98.97160	0.5
107.01407	2.0
121.02928	0.7
122.01707	0.5
135.00826	0.7
135.64404	0.6
148.01608	1.0
151.00369	7.3
152.99052	0.5
163.00386	1.6
178.99840	2.8
184.74948	0.6
187.04198	0.6
211.03946	0.8
226.02695	1.0
227.03476	1.6
228.80859	0.6
243.02962	5.4
244.03358	0.8
245.04677	0.6
245.09096	0.7
254.02208	1.5
255.03000	16.4
256.03409	1.2
271.02490	32.2
272.02924	2.8
273.03772	0.6
283.02499	0.7
300.02765	60.3
301.03482	23.4
301.06934	1.3
302.03894	1.5
327.51126	0.7
343.04648	0.7
437.73303	0.6
565.65399	0.6
589.81238	0.5
609.14624	100.0
610.14941	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	897.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33514	1.0
69.33929	2.0
71.01385	7.2
72.99322	0.7
83.01369	0.7
85.02952	1.2
87.00883	0.4
89.02449	6.0
96.97892	0.4
97.06652	0.4
99.04525	3.3
101.02451	3.5
107.01381	0.7
113.02439	3.0
118.14803	0.4
119.03519	1.8
127.19999	0.3
131.04970	0.4
133.02989	2.0
149.02446	0.6
151.00388	2.2
152.00664	0.4
163.11215	0.6
165.12845	2.2
175.04076	0.5
189.12817	0.4
199.03943	0.6
201.01965	0.4
207.13913	5.4
208.14153	0.7
209.11827	11.7
209.13829	0.8
210.12180	0.8
225.14999	6.1
226.15323	0.5
241.05110	0.4
249.34679	0.4
251.12842	2.9
255.02789	0.5
256.03775	1.7
257.04550	0.6
269.13959	29.5
270.14270	1.6
284.03275	24.5
285.04010	54.9
286.04343	17.1
287.04623	7.3
297.03952	0.5
300.02765	0.8
322.87909	0.4
327.05045	1.7
447.09338	33.7
448.09665	18.3
448.15958	0.7
449.10739	14.3
449.20270	100.0
450.10925	1.8
450.20642	11.1
456.63083	0.4
463.08679	0.7
527.08557	0.4
624.94409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	100.0
71.05025	1.5
71.54682	2.4
72.81770	1.6
72.99300	2.9
73.02965	5.0
75.00847	1.8
81.03458	1.9
83.01395	3.0
83.05064	1.6
85.02951	7.3
87.00887	4.4
88.19044	1.4
89.02454	19.3
90.89046	1.5
97.02961	6.0
99.00906	4.5
101.02447	19.2
109.06587	6.4
112.98750	1.5
113.02474	9.7
119.03516	5.6
125.02449	5.9
125.09718	2.7
143.03503	3.7
152.93982	1.8
161.04587	2.9
163.11334	3.3
167.03537	2.6
171.10286	41.3
172.10623	1.8
179.05602	3.3
181.12393	1.7
199.09778	11.5
199.13406	2.4
201.11301	11.7
207.10292	18.4
209.11736	2.0
221.06575	2.8
221.11852	10.9
225.11259	13.8
226.11801	2.0
235.08220	4.9
239.12910	5.8
240.97537	1.6
243.12257	2.5
255.23328	62.2
256.23730	4.0
272.76138	1.8
277.21628	5.7
305.08887	2.9
324.87506	1.6
379.12469	5.3
393.66486	2.1
397.13538	38.1
398.13712	2.4
415.14713	9.6
416.14697	1.7
508.65927	1.7
623.25653	1.8
835.47632	2.6
861.48474	9.2
862.48804	3.1
879.51404	1.8
897.50085	14.7
898.49579	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	895.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	0.5
68.99825	2.0
69.03439	1.1
69.63240	1.7
70.85401	0.3
71.01389	31.3
71.05033	0.3
72.01714	0.3
72.25034	0.3
72.99319	2.4
73.02555	0.6
73.02953	9.3
75.00880	14.9
83.01393	4.4
85.02959	23.7
86.00101	1.2
86.03273	0.4
87.00883	9.4
87.04526	3.2
89.02451	3.8
95.01396	3.2
96.18143	0.3
96.96062	0.5
97.02962	0.6
98.20673	0.3
99.00889	12.6
99.01543	0.7
101.02469	4.2
103.04001	1.8
111.00893	0.3
112.01689	0.6
113.02461	10.1
115.00427	0.4
115.04025	4.2
119.03510	0.8
125.02462	0.6
129.01906	0.3
131.03516	7.0
133.42290	0.3
142.01122	0.3
143.02432	0.4
143.03513	5.5
145.05032	0.8
149.16859	0.3
157.01390	1.0
163.06104	1.0
205.07130	3.0
211.13365	0.6
247.08147	0.5
272.58459	0.3
285.55280	0.3
423.32523	0.4
439.35742	2.6
509.39838	1.7
562.16168	0.3
735.51563	0.3
877.49414	1.6
895.50641	100.0
896.50995	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	895.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	13.5
71.55218	2.1
73.02943	2.5
81.03484	2.0
83.05039	4.4
85.02934	2.4
87.00877	5.6
89.02448	12.9
97.02962	3.0
101.02450	9.8
113.02473	9.4
119.03502	3.4
125.02474	6.6
143.03513	3.0
161.04536	3.8
163.11314	3.5
179.05573	4.0
203.81096	1.9
209.11842	100.0
210.12184	5.2
227.12991	13.9
235.08224	4.5
247.64606	1.9
255.23302	54.1
256.23624	3.0
277.21777	2.5
305.08521	3.3
374.85254	1.9
379.12491	10.3
397.13516	42.6
415.14597	6.6
434.39847	2.0
460.81250	1.9
483.28873	2.3
589.24005	2.2
659.53351	2.4
683.54840	2.4
728.23151	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	893.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41132	1.7
71.01385	62.2
72.99328	2.0
73.02953	18.6
83.01392	7.2
85.02954	23.3
87.00914	3.2
89.02450	15.0
95.01398	5.2
96.96028	5.1
99.00891	7.8
101.02457	40.8
111.00910	1.7
113.02463	27.8
119.03511	6.4
123.94479	1.7
125.02448	2.0
143.03532	5.5
149.04593	2.5
151.11290	1.8
159.03009	5.5
161.04565	34.2
169.12297	8.0
187.17152	1.8
203.05586	4.5
211.07751	3.3
313.16492	8.3
331.17688	30.1
373.18698	80.7
374.18991	5.0
389.21783	21.2
390.22284	1.9
417.11569	2.0
431.22864	100.0
432.23175	12.4
475.22073	2.0
543.86792	1.9
893.35535	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	895.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18810	0.3
77.03962	0.5
79.01893	0.5
81.03447	0.4
83.01385	0.6
89.02427	0.3
93.03456	0.5
97.02905	0.5
105.03445	0.6
107.01375	0.7
109.02950	2.7
119.05042	0.8
121.02974	2.0
125.02438	1.2
126.52090	0.3
133.02965	12.8
134.03769	0.6
135.04587	1.8
136.94604	0.3
137.02422	0.4
145.02991	0.4
147.04555	1.0
148.01630	0.5
149.02426	1.6
151.00354	0.5
151.03952	0.7
161.02437	1.2
163.00426	1.9
163.04044	3.0
165.01921	1.8
170.78291	0.3
171.04478	0.3
173.02452	0.4
175.04016	3.4
177.01962	1.3
185.06027	0.6
190.02711	0.3
191.03569	1.7
193.01395	1.5
198.03210	0.4
199.03993	1.2
201.01956	1.3
201.05441	0.3
203.03613	0.6
211.04044	0.7
212.04741	0.5
213.05582	1.2
215.03477	0.3
225.05600	1.0
226.02898	0.3
227.03482	0.6
227.07080	0.7
237.05617	0.6
240.04274	0.6
241.05109	0.5
243.02921	0.3
253.05147	1.4
254.05824	0.6
255.02942	0.8
255.06615	1.0
256.03906	0.5
257.04495	0.5
269.04565	1.0
271.05951	0.4
281.04422	0.8
284.03284	9.0
285.04071	7.0
286.04514	0.5
297.00613	0.4
297.04059	15.9
298.04800	9.6
299.05621	16.3
300.05908	1.5
309.04224	0.8
311.05533	2.2
325.03494	0.9
327.05109	100.0
328.05453	8.7
329.05399	0.6
339.05112	3.7
341.06720	0.7
345.08572	0.4
357.06174	25.7
358.06454	2.6
369.06262	3.0
393.06140	0.9
399.06885	0.4
411.07187	0.4
429.08090	0.3
447.09344	98.4
448.09708	10.3
448.15918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41132	1.7
71.01385	62.2
72.99328	2.0
73.02953	18.6
83.01392	7.2
85.02954	23.3
87.00914	3.2
89.02450	15.0
95.01398	5.2
96.96028	5.1
99.00891	7.8
101.02457	40.8
111.00910	1.7
113.02463	27.8
119.03511	6.4
123.94479	1.7
125.02448	2.0
143.03532	5.5
149.04593	2.5
151.11290	1.8
159.03009	5.5
161.04565	34.2
169.12297	8.0
187.17152	1.8
203.05586	4.5
211.07751	3.3
313.16492	8.3
331.17688	30.1
373.18698	80.7
374.18991	5.0
389.21783	21.2
390.22284	1.9
417.11569	2.0
431.22864	100.0
432.23175	12.4
475.22073	2.0
543.86792	1.9
893.35535	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	893.403
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	36.5
72.99332	1.5
73.02954	20.4
76.57936	0.9
83.01411	6.8
85.02959	13.4
87.00882	1.9
89.02447	18.0
95.01398	3.6
99.00899	2.9
101.02448	27.0
107.01415	1.2
112.96259	1.0
113.02457	28.2
119.03514	5.9
131.03534	1.9
143.03493	3.1
149.04562	2.5
151.00336	4.8
161.04581	11.3
163.03961	1.1
178.99860	2.7
179.05489	1.3
209.15546	2.4
217.70811	0.9
221.06598	1.3
227.16522	8.1
271.02588	1.4
279.78397	1.0
284.03223	1.7
285.03976	2.5
300.02802	1.8
371.20731	50.8
372.21066	5.9
377.86655	1.2
389.21857	18.3
390.22189	1.6
391.04605	3.3
431.22873	100.0
432.17636	1.4
432.23221	14.7
433.07587	2.1
433.23938	1.9
447.09268	2.6
731.12695	1.5
816.51111	1.4
854.29413	1.1
893.17792	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	889.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	3.9
71.01389	66.6
71.01787	2.9
71.55492	2.0
72.99319	2.1
73.02952	100.0
74.03291	1.9
75.00871	2.0
78.74589	1.6
78.78005	1.2
83.01394	30.0
83.26876	1.3
85.02951	10.1
87.00914	2.0
89.02450	13.8
93.03447	1.8
95.01418	2.6
96.96025	3.0
97.02940	3.0
99.00890	2.5
101.02450	93.0
113.02462	27.4
114.22957	1.6
119.03523	7.8
125.02438	5.6
131.03532	9.0
143.03505	9.5
149.04552	16.4
152.07191	3.2
155.03481	2.7
161.04558	32.5
167.10785	30.6
191.05756	1.5
203.05652	4.7
221.06642	12.1
325.69318	1.3
387.15643	2.5
389.18198	92.9
390.18561	6.7
390.23270	1.5
646.47412	1.3
889.39691	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	891.476
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05180	0.5
65.83212	0.6
67.01867	0.6
68.99828	2.4
69.03469	3.4
71.01387	19.9
72.99317	2.4
73.02946	1.7
75.00879	17.9
76.10059	0.6
83.01393	2.7
85.02959	24.1
87.00886	2.1
89.02449	7.1
93.04604	0.6
95.01390	4.3
96.96003	1.7
97.02965	5.0
98.19933	2.0
98.60027	0.6
99.00887	15.5
101.02444	1.1
111.00909	0.7
112.01694	1.4
113.02460	15.0
113.03255	0.8
115.00363	0.5
117.46937	0.6
123.83618	0.6
125.02457	9.3
127.63287	0.6
131.03481	1.0
133.01428	0.6
139.00383	1.0
146.12006	0.6
157.01393	1.3
168.73285	0.6
175.89517	0.6
187.23317	0.7
290.27008	0.7
374.64365	0.7
433.67404	0.7
571.03845	0.7
837.34204	0.7
891.47522	100.0
892.47791	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	889.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	14.1
71.09996	2.7
73.02966	5.8
75.00882	2.5
83.01421	2.1
85.02947	6.1
87.00905	2.4
89.02449	7.4
95.01374	1.4
96.96047	5.8
99.00883	1.3
101.02441	9.5
103.49472	1.3
109.03009	1.3
113.02464	7.2
115.00423	2.1
117.03431	2.1
119.03500	3.5
119.05048	3.2
121.02934	2.7
125.02521	1.3
134.03746	2.2
149.02457	2.7
151.00406	2.6
152.07095	2.8
153.01891	1.4
161.04558	4.4
163.04030	1.8
165.05562	1.3
179.05667	1.9
182.05147	1.5
193.05020	3.4
211.06047	1.7
224.49330	1.1
263.09656	1.5
267.06592	14.0
268.03757	55.9
269.04504	28.0
270.04889	1.5
270.44348	1.4
271.02390	2.0
283.06110	3.4
288.48999	1.2
295.06067	21.6
299.01837	1.4
300.02698	3.5
301.03336	1.7
311.05646	4.2
312.71686	1.2
327.05014	3.0
371.20776	2.2
413.21799	4.8
415.10385	27.2
416.10663	3.1
429.21359	2.5
431.09845	100.0
432.10242	12.8
527.12152	1.2
641.14142	1.9
652.24377	1.5
675.26379	2.2
677.26996	1.5
720.14056	1.3
788.96252	1.4
889.30920	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	889.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	14.1
71.09996	2.7
73.02966	5.8
75.00882	2.5
83.01421	2.1
85.02947	6.1
87.00905	2.4
89.02449	7.4
95.01374	1.4
96.96047	5.8
99.00883	1.3
101.02441	9.5
103.49472	1.3
109.03009	1.3
113.02464	7.2
115.00423	2.1
117.03431	2.1
119.03500	3.5
119.05048	3.2
121.02934	2.7
125.02521	1.3
134.03746	2.2
149.02457	2.7
151.00406	2.6
152.07095	2.8
153.01891	1.4
161.04558	4.4
163.04030	1.8
165.05562	1.3
179.05667	1.9
182.05147	1.5
193.05020	3.4
211.06047	1.7
224.49330	1.1
263.09656	1.5
267.06592	14.0
268.03757	55.9
269.04504	28.0
270.04889	1.5
270.44348	1.4
271.02390	2.0
283.06110	3.4
288.48999	1.2
295.06067	21.6
299.01837	1.4
300.02698	3.5
301.03336	1.7
311.05646	4.2
312.71686	1.2
327.05014	3.0
371.20776	2.2
413.21799	4.8
415.10385	27.2
416.10663	3.1
429.21359	2.5
431.09845	100.0
432.10242	12.8
527.12152	1.2
641.14142	1.9
652.24377	1.5
675.26379	2.2
677.26996	1.5
720.14056	1.3
788.96252	1.4
889.30920	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	885.339
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34556	0.3
71.01387	4.5
73.02956	1.6
74.02486	1.2
83.01391	0.7
85.02943	0.8
87.00890	0.4
89.02470	1.8
97.99083	0.4
98.19770	0.7
98.97083	0.4
101.02452	2.6
108.17110	0.3
113.02457	1.5
114.33392	0.3
116.07557	0.3
119.03505	0.8
122.03772	0.4
123.58040	0.3
161.04587	0.6
163.07666	100.0
164.08003	5.3
185.11177	0.3
185.19972	0.3
189.12895	1.3
200.94615	0.3
203.08311	1.2
229.51616	0.5
232.44925	0.4
245.09261	2.9
268.59686	0.3
279.12372	1.8
367.13995	2.3
369.19272	0.5
387.20474	2.7
387.25424	0.5
411.16660	0.9
429.21298	2.6
724.55908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.1
69.97961	0.5
69.98370	0.8
70.38284	0.3
71.01389	15.1
72.99305	1.0
73.02953	2.6
75.00876	0.4
80.02683	1.0
81.03466	2.3
83.01395	2.2
83.05032	5.2
84.02161	0.8
85.02956	4.3
85.73817	0.2
87.00895	3.9
89.02455	12.3
93.03487	0.5
95.01400	1.5
95.05045	0.9
97.02956	2.3
99.00899	0.8
101.02454	11.9
102.02776	0.3
102.12830	0.2
109.02956	0.4
111.04539	0.8
113.02469	7.1
115.04028	0.5
119.03519	3.6
123.00879	0.3
123.36768	0.3
124.01612	0.3
125.02462	5.6
125.06107	0.3
126.02841	0.3
127.04035	0.3
131.03477	0.7
133.05109	0.3
135.08237	0.4
139.04077	0.5
143.03506	2.5
145.05064	0.3
149.04594	0.5
161.04578	3.6
163.11296	4.0
165.12862	2.4
166.13190	0.3
167.03468	0.5
176.51608	0.3
179.05641	3.6
181.12350	0.6
184.83005	0.2
191.04979	0.3
191.10779	1.0
199.05945	0.4
209.11841	100.0
210.12183	5.5
217.07155	0.8
219.05121	0.3
221.06674	1.1
227.12901	13.1
228.13226	0.7
235.08267	5.3
245.06587	0.4
251.12901	0.4
253.09198	1.3
259.08273	0.4
263.07724	0.7
277.21738	53.4
278.22107	4.2
287.07782	1.7
291.23248	0.5
297.19592	0.3
305.08817	1.5
323.09879	1.0
327.64246	0.3
379.12460	5.3
379.16980	0.5
380.12839	0.4
397.13528	38.3
398.13852	3.2
415.14600	9.0
415.18878	0.2
416.14819	0.9
589.25409	0.5
607.26105	0.9
639.47327	0.3
675.36310	0.6
885.47821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.0
69.72408	1.1
71.01387	14.8
71.05019	0.5
72.99315	0.8
73.02954	2.2
75.00884	0.4
80.02264	0.3
80.02683	1.2
81.03465	2.1
83.01393	2.2
83.05032	5.3
84.02171	0.8
85.02957	3.9
87.00891	3.4
89.02451	12.1
93.03460	0.4
95.01408	1.0
95.05030	0.7
96.96069	0.3
97.02954	2.4
98.20689	0.3
99.00882	0.7
101.02449	10.3
111.00850	0.4
111.04542	0.6
113.02464	5.9
119.03514	3.2
119.06572	0.3
121.02999	0.3
125.02461	4.9
125.06098	0.6
126.02778	0.3
131.03502	0.6
133.05084	0.5
135.08173	0.6
137.02466	0.4
139.04010	0.7
143.03461	1.7
161.04552	3.3
163.11287	3.9
165.12881	2.0
167.03516	0.4
179.03535	0.3
179.04031	0.4
179.05608	3.6
181.12369	0.9
191.10783	1.2
199.06270	0.4
209.11839	100.0
210.12180	5.0
217.07239	1.0
221.06711	1.3
227.12892	10.7
228.13304	0.7
235.08224	4.6
245.06726	0.3
251.12807	0.5
253.09390	0.6
259.08142	0.5
277.21744	41.8
278.22101	4.2
287.07721	1.2
291.23309	0.4
305.08862	1.4
323.09900	0.9
344.66653	0.3
379.12473	5.7
397.13516	29.6
398.13831	1.8
415.14630	7.7
416.15076	0.6
583.95801	0.3
589.25177	0.4
607.25867	1.0
608.25903	0.3
675.35779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99854	0.3
69.03458	0.9
71.01388	15.1
71.25976	0.3
72.99313	0.9
73.02959	2.6
75.00871	0.4
80.02692	1.0
81.03463	2.3
83.01398	1.6
83.05034	5.5
84.02175	0.8
85.02961	4.0
87.00882	3.6
89.02457	12.8
95.01396	1.1
95.05039	0.9
97.02964	2.2
99.00889	1.0
101.02453	10.4
107.05122	0.3
109.02946	0.4
109.06573	0.4
111.00916	0.3
111.04516	0.4
111.08120	0.3
112.67846	0.3
113.02460	6.0
115.04047	0.4
119.03518	3.4
121.02937	0.4
121.90398	0.3
124.01676	0.4
125.02463	5.9
125.06115	0.6
131.03508	0.8
133.05109	0.5
135.08142	1.0
139.04024	0.6
141.01958	0.4
143.03500	2.3
145.05161	0.3
149.04553	0.3
161.04573	3.0
163.11307	4.6
165.12848	2.8
167.03578	0.4
169.05075	0.3
179.05612	3.1
181.12349	0.8
185.04436	0.3
191.10780	1.1
199.06119	0.6
209.11839	100.0
210.12186	5.2
217.07190	0.9
221.06714	1.8
227.12894	12.2
228.13290	0.8
235.08220	4.8
235.10419	0.4
251.12871	0.4
253.09343	1.1
259.08197	0.5
263.07782	0.7
266.90295	0.3
275.20300	0.3
277.21738	48.1
278.22073	3.9
287.07773	1.5
291.23334	0.4
305.08844	1.3
305.57425	0.3
323.09802	1.3
379.12457	5.4
397.13531	34.7
398.13898	2.0
415.14581	8.0
415.19147	0.2
416.14981	0.8
429.73917	0.3
589.25244	0.5
607.26398	0.8
675.36090	0.4
853.12970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85107	1.6
69.85502	1.4
70.02979	3.8
71.01390	6.6
72.00903	1.1
72.04533	1.1
72.99317	0.8
73.02956	1.6
74.02475	28.0
83.01392	0.8
85.02968	1.9
89.02458	4.1
95.01419	0.8
96.96012	1.0
98.02484	5.3
100.03443	0.7
101.02453	4.3
113.02464	2.0
116.03570	7.8
116.05072	9.7
117.03480	6.9
119.03527	1.0
126.02798	0.8
129.37706	0.6
130.06654	0.9
131.01378	1.4
142.06615	2.6
159.09273	3.4
161.04564	1.2
173.02415	3.8
175.00386	7.4
177.65700	0.6
201.10313	2.0
203.08267	30.3
204.08580	1.1
213.92537	0.6
218.33018	0.7
221.06158	0.8
237.05554	0.7
245.09323	67.4
246.09668	4.7
249.05623	0.9
255.03404	0.7
265.04987	0.7
269.04614	1.4
271.02411	1.2
281.04568	1.0
282.05304	1.2
283.03180	0.8
283.06128	3.9
283.71143	0.7
293.04584	100.0
294.04895	7.8
299.01956	2.1
299.05228	0.8
301.03351	1.8
311.05615	5.1
312.06241	0.9
323.05688	1.4
327.05167	3.0
335.05640	1.8
341.47946	0.7
413.08755	32.0
414.09326	3.2
447.09161	2.3
473.10556	1.2
593.15112	89.3
594.15546	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	885.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77633	0.7
61.87516	0.8
63.02428	1.2
65.00333	1.8
65.49522	0.8
69.43215	6.1
83.01418	0.8
84.33495	0.7
88.48723	0.8
90.44111	0.7
98.19994	1.4
107.01399	1.3
116.94025	0.7
151.00420	4.5
152.01056	1.0
163.00334	1.0
169.01396	0.9
178.99883	1.8
179.07094	0.8
183.04518	4.0
196.60623	0.8
211.04016	2.7
213.05721	1.1
227.03497	26.4
228.03926	1.6
229.05043	1.7
229.63974	0.7
239.03497	1.1
241.05061	0.8
255.03012	84.5
256.03519	7.3
257.04517	1.4
283.02505	64.0
284.03271	92.5
285.03961	23.3
327.05078	1.1
430.09012	8.5
431.09427	1.7
739.20990	100.0
740.21130	16.3
885.26886	10.4
886.27045	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	881.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	4.6
65.90288	1.1
66.34816	1.3
69.48803	8.5
71.01392	26.6
72.99313	3.5
73.02950	4.4
75.00868	1.4
81.03437	2.0
83.01398	3.2
83.05006	3.9
85.02967	5.9
87.00868	5.0
89.02464	19.7
95.01358	3.0
95.05049	1.2
97.02945	3.6
99.00895	1.2
101.02459	20.0
113.02469	8.6
119.03502	5.6
125.02482	8.2
125.09725	3.4
127.11290	3.7
131.03435	1.5
133.65659	1.1
135.08116	1.5
141.01810	1.2
143.03506	3.5
161.04564	5.7
163.11258	4.2
165.12881	1.6
167.03493	1.3
171.10255	1.3
179.05579	5.4
201.11342	86.0
202.11674	4.1
209.11839	100.0
210.12115	5.3
214.64935	1.3
221.06514	2.0
225.11420	1.2
226.11549	1.4
227.12891	14.6
235.08220	8.9
253.09262	1.6
255.23312	76.3
256.23566	7.7
274.22375	1.4
287.07712	2.7
293.21274	3.1
305.08902	3.2
309.20834	1.5
323.09607	1.9
354.52695	1.2
379.12515	11.7
380.12753	2.1
397.13544	70.1
398.13992	7.6
415.14594	14.0
581.24139	4.0
599.25635	2.7
607.26160	1.8
653.37604	8.9
654.37976	2.5
804.21149	1.6
837.47864	1.5
838.49121	1.4
840.66791	1.6
881.50116	4.4
882.47070	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	881.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	3.4
69.54733	8.2
71.01387	22.7
72.99314	1.7
73.02930	4.3
75.00912	1.6
79.67140	1.2
81.03442	2.1
83.01421	2.8
83.05059	3.0
84.02147	1.4
85.02959	4.9
87.00871	4.8
87.52168	1.5
89.02459	18.8
89.73618	1.2
91.81464	1.2
95.01431	1.8
96.96022	2.4
97.02950	4.0
98.79563	1.2
101.02462	19.4
113.02483	11.6
117.39719	1.3
119.03512	4.7
125.02464	6.6
125.09756	2.0
127.11286	4.3
133.05156	1.4
142.99794	1.6
143.03548	4.0
161.04576	3.6
163.11307	3.9
165.09282	1.8
165.12852	2.5
167.03546	1.8
171.10271	3.1
174.01677	1.5
179.05638	4.6
201.11346	71.2
202.11740	3.0
209.11848	100.0
210.12170	5.3
211.13397	4.6
227.12894	12.6
235.08229	6.8
253.09322	3.0
255.23317	70.8
256.23608	3.5
277.21692	4.7
287.07840	3.4
293.21307	1.4
305.08881	2.4
323.10025	1.5
379.12442	11.8
397.13525	64.6
398.13882	5.9
415.14624	11.9
492.28336	1.4
581.24609	3.7
589.25531	2.2
599.25244	2.0
607.26807	2.0
635.36499	1.7
653.37695	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	881.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00310	0.5
69.30224	1.9
69.30659	1.7
71.01377	2.1
73.02955	1.4
73.10878	0.4
81.03466	0.4
82.12052	0.5
83.01389	1.2
85.02956	0.7
86.14655	0.5
89.02438	1.1
95.01853	0.5
97.02943	0.7
98.19843	0.8
99.04539	0.8
99.97659	0.4
101.02445	2.0
104.33640	0.5
107.01408	0.5
109.02950	1.9
109.06522	0.4
113.02442	1.0
119.05017	1.1
121.02983	1.6
125.02450	0.9
133.02969	10.6
134.03769	0.5
135.04558	1.0
147.04492	1.5
149.02455	1.0
151.04031	0.5
151.26476	0.4
161.02460	2.0
163.00368	1.6
163.04053	2.9
165.01942	2.1
165.09204	2.0
171.06694	0.6
173.02406	0.6
175.04010	2.6
179.03525	0.6
191.03482	1.4
193.01369	1.3
199.03990	1.3
201.01918	1.2
213.05577	1.5
215.03574	0.6
225.05630	0.6
226.02634	0.5
240.04259	0.8
241.05054	1.3
253.05070	1.1
255.02945	0.8
255.06676	0.5
257.04636	0.6
261.55920	0.5
269.04575	1.2
271.06143	0.7
284.03247	8.1
285.04047	7.1
286.04355	0.6
297.04080	13.6
298.04803	7.1
299.05612	16.5
300.05914	1.3
309.03836	0.7
311.05640	2.4
311.10367	0.9
324.02557	0.7
325.03543	1.1
327.05109	100.0
328.05481	7.4
339.05164	3.4
341.06387	0.8
351.04559	0.5
357.06198	24.9
358.06595	2.3
369.06229	3.0
393.06268	1.5
433.17038	1.7
447.09348	95.2
448.09683	11.1
449.09879	0.6
467.17575	0.6
468.02945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.8
62.89407	0.4
67.01884	0.8
68.99821	1.6
69.03459	0.5
69.64428	0.4
69.65559	0.6
69.65876	2.9
71.01390	27.0
72.99313	2.0
73.02963	2.4
75.00880	17.4
77.43690	0.4
83.01382	5.0
84.02190	0.6
85.02957	26.4
86.00133	0.5
86.03291	0.8
87.00883	2.5
89.02464	7.3
95.01399	5.0
96.96004	0.8
97.02940	0.9
99.00893	16.3
101.02456	2.2
112.01664	1.2
113.02464	17.5
115.00412	0.9
125.02435	0.5
131.03481	0.9
139.00343	0.6
157.01430	1.8
193.08482	1.3
215.10571	0.5
233.11595	1.0
236.75868	0.5
264.09766	1.2
285.82855	0.5
416.80496	0.6
441.33734	1.1
493.29846	0.5
617.43970	0.5
694.45770	0.6
881.45471	100.0
882.45715	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	879.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48141	8.9
71.01389	34.1
72.99302	2.5
73.02956	45.8
77.88786	1.1
80.56419	1.2
83.01395	10.7
85.02952	6.3
87.00874	1.6
87.12128	1.3
89.02459	15.7
94.19894	1.2
95.01379	2.0
97.02969	1.7
99.00831	1.2
101.02457	41.8
113.02463	17.7
113.10537	1.4
118.70448	1.2
119.03481	8.4
125.02480	1.5
131.03505	2.8
143.03510	5.5
149.04552	6.5
161.04567	13.3
163.11270	3.8
167.10785	1.7
179.05496	1.8
203.05612	2.1
207.08647	1.2
207.10339	8.2
214.02061	1.2
221.06657	3.8
232.97810	1.4
254.80362	1.3
387.16541	100.0
388.16824	8.7
405.21191	3.7
408.95886	1.3
447.22388	78.3
448.22885	5.9
709.39520	1.5
867.56744	1.4
884.00037	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	879.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50944	7.3
71.01389	31.7
71.57688	0.9
72.99345	1.6
73.02949	22.6
75.00871	1.1
80.49249	1.0
83.01381	5.8
85.02956	8.1
87.00887	1.8
89.02447	18.3
89.02954	1.7
95.01385	2.7
98.19934	2.3
99.00867	2.0
99.09250	1.0
101.02449	24.3
107.05044	1.2
110.28309	1.2
113.02457	17.0
119.03503	7.8
131.03491	2.6
137.06129	2.4
143.03493	2.8
149.04567	4.5
153.09227	7.3
161.04573	7.6
162.34244	1.0
179.05707	2.6
179.07094	1.9
199.16510	1.1
205.12230	1.2
221.06857	2.0
243.16077	4.2
267.07004	1.1
298.88174	1.1
329.11371	1.4
387.20319	27.4
388.20908	1.7
389.18265	3.7
405.21259	7.7
431.22980	2.5
447.22360	100.0
448.22757	12.7
473.13239	1.6
491.21075	2.7
497.57672	1.1
888.71893	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	879.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.7
73.02948	0.8
77.14374	0.5
81.03455	1.8
83.79131	0.5
85.02937	1.0
89.02423	0.5
91.01917	0.7
93.03450	1.4
96.96044	0.7
101.02465	1.0
105.45381	0.4
107.05004	1.1
108.02168	0.8
112.98820	0.9
113.02438	0.7
115.42100	0.4
119.05063	1.0
122.03745	14.1
125.02441	1.2
134.03743	2.5
137.02426	1.6
147.04474	0.6
147.12936	0.5
149.06068	2.1
153.01926	0.5
165.05559	11.9
169.06522	0.9
169.10255	2.1
171.08151	7.4
172.08542	0.7
178.02779	0.8
193.05060	9.6
194.05496	0.6
209.04550	0.9
213.09218	100.0
214.09561	11.0
215.09851	1.4
229.16621	0.6
237.04150	0.6
239.07133	9.3
240.07515	1.4
243.02809	0.5
255.10414	0.6
257.08176	2.3
286.52313	0.5
297.04019	5.5
301.03467	1.0
316.12125	0.5
334.73495	0.5
347.35211	0.5
400.15363	0.5
419.13477	98.6
420.13852	15.5
421.14157	3.8
422.14389	0.6
431.10049	0.8
459.09308	4.4
536.10779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.5
69.37363	7.0
71.01383	3.9
72.48528	0.9
72.83921	0.9
73.92805	0.8
76.53326	0.8
81.03468	2.0
85.02942	2.1
87.00864	0.9
87.93432	0.9
89.02478	1.4
91.01868	1.2
94.08843	0.7
96.95991	1.8
97.65655	0.8
98.19807	1.3
101.02443	2.3
108.02166	1.7
113.02460	2.3
122.03740	13.3
125.02419	1.7
137.02437	1.4
161.04588	0.9
169.06538	1.2
169.10162	1.6
171.08174	6.8
213.09219	99.5
214.09550	8.3
239.07108	8.1
257.08176	3.2
284.03073	1.3
285.03806	1.1
290.59866	1.1
299.05627	2.1
398.05841	1.0
419.13477	100.0
420.13849	12.6
421.14059	2.4
459.09332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.408
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37958	0.9
69.03447	1.5
69.68560	3.2
69.68967	1.9
71.01389	48.5
72.01767	0.9
72.99319	1.8
73.02955	59.3
83.01399	13.4
85.02956	7.9
87.00867	1.0
89.02449	16.0
95.01375	2.3
97.02950	2.0
98.19975	1.7
99.00911	1.7
101.02457	55.5
102.02745	0.9
102.12264	1.1
113.02455	21.2
119.03530	8.7
119.05036	1.4
123.08170	1.4
125.02482	2.5
125.06095	1.1
131.03503	4.6
134.03712	1.0
137.06107	2.1
143.03503	5.0
144.40204	1.2
146.03786	1.2
147.89963	0.9
149.04562	8.5
154.32909	0.9
155.03517	1.5
161.04582	17.5
161.05959	1.6
167.10812	5.0
179.05583	2.7
179.07059	1.1
193.05011	1.2
203.05569	2.8
221.06703	6.0
245.81992	1.0
269.04544	1.0
281.10297	1.5
387.20459	7.9
405.21411	5.8
424.50214	1.1
443.11810	1.2
447.22385	100.0
448.22675	13.0
491.21301	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	877.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	3.9
67.44213	1.9
69.03453	4.3
69.18552	11.6
69.18981	7.7
71.01397	14.6
77.26537	2.0
85.02942	4.7
87.00906	4.0
89.02442	9.4
91.76371	2.2
97.02946	5.1
101.02480	10.4
113.02492	4.6
119.03554	2.4
135.86243	2.1
160.07030	2.4
161.09718	2.6
179.10802	6.5
197.11861	34.8
206.85509	2.1
209.11858	13.0
221.06746	2.2
255.23325	39.7
256.23685	2.7
269.24890	4.8
359.09579	2.2
397.13461	6.6
415.14456	2.6
634.10352	2.4
877.48157	100.0
878.48474	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.8
71.01382	2.1
71.54974	0.9
81.03463	2.1
85.02943	0.9
91.95063	0.6
96.96011	1.0
101.02474	0.9
108.02187	1.6
122.03754	15.0
123.04097	0.8
125.02473	1.3
137.02443	1.2
151.04021	0.8
169.06590	0.8
169.10242	1.3
171.08171	7.8
172.08583	1.0
193.05147	0.9
213.09224	100.0
214.09570	11.0
215.09940	1.2
239.07123	7.2
240.07452	1.3
257.08133	2.6
343.50919	0.8
419.13486	91.6
420.13873	15.8
421.14133	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	877.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.8
69.54105	3.7
69.54530	3.7
71.01391	39.2
72.99310	1.2
73.02954	48.7
74.45522	1.0
83.01394	16.4
85.02963	7.1
87.00903	1.6
89.02454	13.9
95.01414	1.6
98.19864	1.1
99.00896	1.2
101.02456	47.6
102.02820	1.4
109.02869	1.0
113.02469	22.0
119.03530	7.8
119.04987	1.4
125.02458	2.9
131.03520	5.3
137.06111	2.0
143.03493	6.4
146.03687	1.7
149.04544	10.4
155.03526	1.3
161.04556	18.2
167.10785	4.7
179.05635	3.6
179.07095	1.9
199.38698	0.9
199.68056	1.0
203.05618	1.9
221.06650	6.3
267.06992	1.5
282.16013	1.0
341.12476	1.7
385.11218	1.2
387.20425	7.4
405.21353	5.2
447.22385	100.0
448.22659	11.9
475.30875	1.2
491.21509	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	877.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50573	2.5
69.68853	12.8
71.01368	7.9
72.99319	2.6
81.03428	3.3
93.03444	6.2
96.96024	3.4
97.04960	2.6
103.00383	56.0
107.01412	3.6
107.05050	7.5
108.04567	3.3
109.02977	13.6
111.00816	2.6
113.02412	2.9
113.69683	2.6
114.89841	2.5
119.05048	2.7
121.02953	9.9
123.04546	12.5
124.01670	3.5
133.02956	4.2
135.04449	3.1
137.02478	36.7
139.03906	2.5
146.99300	2.4
148.01694	5.9
149.02434	8.1
150.03172	2.6
151.00345	10.6
151.04027	41.4
159.04553	2.7
161.02438	15.1
163.04022	4.5
173.02469	3.8
177.01994	3.0
179.03520	83.2
180.04190	13.1
187.03983	6.8
197.02290	2.6
199.03990	6.2
201.01971	2.4
201.05464	3.5
202.02705	3.5
211.04005	5.6
213.01965	4.3
213.05595	3.1
214.02679	3.1
215.03516	8.9
221.04532	2.6
227.03448	17.8
228.04240	8.7
229.01431	2.9
229.05156	13.0
230.02168	5.4
241.01442	3.2
241.05019	6.7
243.03059	14.3
244.03719	4.2
254.02158	5.1
255.03067	17.5
256.00122	5.1
256.03693	5.3
257.00867	8.5
257.04584	7.9
258.01694	4.3
259.02499	7.7
267.01404	73.7
268.02078	9.7
269.00931	4.6
269.04669	4.1
271.02518	32.4
272.03030	5.5
273.04037	7.9
281.04691	3.5
283.02441	8.1
284.03012	4.0
285.04050	7.0
286.00967	3.4
286.04623	3.3
287.05826	2.9
295.02557	3.6
299.02084	18.0
300.02759	12.3
301.03400	11.1
309.27948	2.6
313.03571	12.0
319.06009	3.3
331.05060	3.8
347.05542	7.1
349.07031	3.4
361.03452	6.4
363.04977	3.3
375.04993	7.6
377.02832	4.0
393.06259	5.1
404.05203	6.3
406.03012	7.1
407.03918	6.0
408.04874	43.6
409.05481	11.4
420.04776	26.3
421.05499	23.8
422.06400	23.1
423.07111	5.6
447.09070	4.1
463.06525	3.9
480.07050	15.4
481.07733	13.9
609.14673	7.3
639.82941	2.8
715.14386	3.9
729.16846	15.9
730.16785	4.7
787.15759	3.7
789.18939	66.7
790.19244	13.9
877.16882	100.0
877.31158	3.9
878.17133	22.1
914.69781	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	867.496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	3.5
68.33014	1.3
69.53153	8.6
71.01059	1.8
71.01389	17.3
72.99310	1.7
73.02930	2.5
83.01382	2.3
85.02958	3.7
86.54472	1.6
87.00909	3.5
89.02454	16.5
92.95783	1.5
97.02988	2.4
101.02453	11.2
113.02451	7.5
119.03465	3.1
125.02474	7.5
143.03450	2.2
161.04543	5.4
171.10278	100.0
172.10625	3.0
179.05569	3.1
217.07076	2.6
219.44865	1.7
229.88795	1.7
235.08191	5.1
253.09554	1.7
255.23315	62.2
256.23660	7.0
287.07718	4.1
305.08679	3.4
379.12622	18.8
397.13470	37.6
398.13672	2.9
415.14511	6.1
551.23169	4.7
569.24567	4.1
590.46887	1.9
635.36804	2.4
653.37286	4.4
896.12250	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	875.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26479	2.6
71.01375	1.7
72.61919	0.3
73.02958	0.9
79.14625	0.3
81.03465	1.9
83.01425	0.4
85.02958	0.9
91.01924	0.8
93.03461	0.3
95.01344	0.4
96.96020	0.5
101.02458	1.0
108.02184	1.1
113.02433	0.9
122.03747	13.7
123.04078	0.4
125.02447	1.0
137.02458	1.0
153.42430	0.3
156.05806	0.3
169.06654	1.1
169.10207	2.1
171.08180	6.8
205.39481	0.3
211.07651	0.4
212.08315	0.3
213.09218	100.0
214.09540	6.3
224.74199	0.3
239.07137	8.4
240.07588	0.5
255.10304	0.7
257.08267	2.3
271.02542	0.5
300.02856	0.6
301.03711	0.5
348.88519	0.3
419.13474	90.3
420.13824	7.5
601.01276	0.3
646.51862	0.3
721.05804	0.3
861.32446	0.3
875.22076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02971	5.7
71.01387	100.0
71.01783	4.8
71.55315	4.6
72.99270	3.9
73.02952	49.0
74.02484	33.2
75.00897	2.5
81.03444	3.5
83.01389	16.9
85.02959	38.2
87.00897	6.7
89.02452	46.0
95.01354	8.8
97.02926	3.5
98.02481	9.4
99.00895	8.4
101.01814	3.6
101.02454	66.7
113.02460	48.5
116.03596	6.0
116.05025	14.4
119.03541	14.6
125.02500	3.8
142.06631	3.5
143.03455	6.2
149.04601	4.7
159.03026	5.8
161.04558	22.3
163.04028	3.3
175.00372	3.2
179.05534	4.6
189.12825	26.3
203.08284	33.0
207.13985	3.7
224.58284	2.6
245.03879	2.6
245.09329	79.4
246.09518	3.2
247.36783	3.0
269.04526	3.2
289.16547	8.3
293.04608	49.3
294.04919	4.3
307.17633	40.8
308.17816	4.1
311.05728	4.7
349.18668	96.2
350.18967	8.8
369.19089	14.2
387.20261	36.2
393.17746	6.0
413.08691	13.3
429.21292	68.8
430.21594	7.7
512.15204	3.1
567.56995	4.1
577.15692	66.0
577.24524	6.3
578.16113	8.7
742.45526	3.2
750.28290	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	865.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93309	1.7
71.01388	3.4
71.54526	1.9
89.02402	2.0
97.06541	2.1
98.28284	1.6
101.02419	4.5
109.06628	1.7
118.42625	1.6
119.03518	1.5
120.04761	1.6
142.48381	1.6
145.05045	1.7
161.04649	2.7
177.53181	1.9
195.13976	5.1
221.15399	3.4
235.08234	6.6
253.09349	18.1
277.21747	100.0
278.22113	9.5
291.19772	13.8
309.20721	51.2
310.21042	3.6
328.98019	1.7
332.09451	1.9
670.26251	2.1
839.50250	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	867.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25763	6.8
71.01384	2.9
73.02966	0.9
76.84214	0.7
79.95772	0.9
81.03445	1.8
83.01417	1.1
85.02953	1.4
89.02442	1.0
91.01872	1.2
95.01342	0.9
96.96021	20.2
98.19925	1.5
99.00926	0.7
99.02713	0.8
101.02448	2.4
103.72644	0.6
107.01381	1.1
108.02186	1.6
109.02987	0.7
113.02444	1.8
119.05067	0.7
122.03749	13.4
125.02444	1.7
133.02959	5.3
137.02461	1.8
149.02437	0.8
151.00372	2.8
152.85414	0.7
161.04434	0.7
163.03967	1.7
169.06613	1.1
169.10211	2.4
171.08170	7.5
175.04027	1.2
185.44870	0.7
189.31877	0.7
199.04051	1.7
201.01779	1.0
213.09219	100.0
214.09543	7.6
217.05074	0.8
239.07141	7.6
239.11053	1.6
256.03714	1.4
257.08249	2.8
271.02734	0.9
284.03293	9.2
285.04059	58.6
286.04437	4.8
297.04102	3.2
298.04831	2.5
299.05515	2.8
300.02902	0.8
327.05136	20.4
328.05490	2.3
357.06183	9.7
392.52274	0.7
419.13483	88.3
420.13892	11.7
447.09326	57.9
448.09616	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	863.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.6
69.03459	1.7
71.01387	15.6
72.99325	1.3
73.02966	2.2
78.95899	0.6
80.02677	1.2
81.03480	1.8
83.01400	1.9
83.05032	5.5
84.02178	0.5
85.02961	4.3
87.00892	4.6
89.02451	14.4
93.03492	0.4
95.01394	1.7
95.05027	0.8
97.02946	2.8
98.20650	1.2
99.00898	0.8
101.02452	12.5
111.04578	0.4
113.02460	7.8
116.92872	0.6
119.03493	3.3
119.58481	0.4
119.89432	0.3
125.02459	6.1
125.06133	0.5
131.03583	0.6
135.04526	0.4
135.08194	0.5
139.04057	0.6
143.03477	2.9
149.04607	0.4
158.55383	0.4
161.04576	3.1
163.11284	4.0
165.12868	2.3
167.03514	0.4
179.05624	4.0
181.12347	0.8
190.30937	0.5
191.10803	0.9
209.11838	100.0
210.12184	4.7
217.07201	1.0
221.06659	1.1
227.12903	12.5
228.13284	0.7
235.08228	5.3
253.09280	1.2
255.23305	53.5
256.23627	4.5
263.07739	0.5
287.07819	2.2
297.24496	0.5
305.08731	2.4
307.98367	0.4
323.09869	1.2
379.12457	8.1
397.13535	37.4
398.13876	2.3
415.14655	8.9
416.14893	0.5
589.25409	0.6
607.26135	0.7
653.37415	1.3
654.37115	0.4
863.48956	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	863.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.9
63.33960	0.4
69.03458	1.2
69.21918	4.0
71.01389	19.0
72.99313	1.5
73.02952	2.2
75.00888	0.6
76.24966	0.4
78.95939	0.5
80.02683	1.5
81.03474	2.5
83.01391	2.4
83.05038	4.8
84.02177	1.0
85.02961	3.7
87.00876	4.1
89.02453	14.4
91.04047	0.4
95.01400	0.9
95.05060	0.6
96.96033	0.6
97.02969	2.6
98.19811	0.8
99.00903	0.8
101.02448	11.7
108.02177	0.5
109.02987	0.6
113.02460	7.9
113.03259	0.4
116.97819	0.4
119.03518	3.9
123.04602	0.5
125.02444	5.8
131.03499	0.8
135.08218	0.5
141.01962	0.5
143.03496	2.2
145.48700	0.4
148.87128	0.4
161.04605	2.9
163.11334	4.0
165.12836	1.8
167.03535	0.6
169.05139	0.6
179.05634	2.6
181.12373	0.9
183.08240	0.4
191.10852	1.0
199.06328	0.5
207.99567	0.4
209.11845	100.0
210.12192	5.6
215.85408	0.5
217.07248	0.7
221.06662	1.5
227.12910	12.7
228.13280	0.9
235.08249	4.9
237.22122	0.4
253.09502	0.7
255.23315	58.0
256.23669	4.4
259.08121	0.4
269.24866	0.8
287.07724	1.5
305.08823	1.8
323.09872	1.6
339.15863	0.5
379.12448	7.2
397.13535	38.1
398.13965	2.8
400.52054	0.4
415.14545	7.7
416.15091	0.8
589.25269	0.5
607.25970	1.0
653.37952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01715	6.1
69.32614	13.4
69.33013	2.5
69.83305	1.5
69.98728	1.5
71.01388	55.2
72.99318	3.4
73.02955	19.9
75.00874	1.6
83.01407	5.4
85.02964	15.5
87.00919	2.2
89.02444	27.7
89.02949	2.3
93.03462	2.4
95.01398	6.4
98.20616	2.9
99.00903	2.2
101.02439	28.7
113.02454	30.3
117.03437	7.3
119.03499	8.8
125.02438	3.0
131.03564	1.8
135.04500	2.0
143.03481	3.5
149.02466	2.0
149.04578	3.4
151.11212	1.6
153.41441	1.7
161.02435	4.3
161.04576	13.3
163.11357	1.6
173.09804	1.9
179.05643	9.1
189.12825	9.6
207.13898	2.9
225.15045	4.2
227.16463	2.1
239.84186	1.8
268.03659	1.8
269.04712	2.1
281.04495	2.4
282.05634	1.5
283.06140	36.8
284.06497	3.6
295.05905	2.1
311.05637	68.2
312.06027	6.7
323.05725	4.0
341.06625	6.4
369.19196	33.2
370.19330	3.4
371.20886	2.2
387.20258	22.6
389.21848	13.7
429.21277	100.0
430.21646	12.4
431.09863	88.8
431.22711	4.7
432.10193	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	863.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01720	6.9
69.44606	16.2
71.01389	75.6
72.99314	5.0
73.02952	100.0
74.02477	3.2
75.00862	3.1
76.66989	2.2
77.74575	2.4
80.05056	2.3
83.01398	28.4
85.02950	19.3
87.00897	5.8
89.02450	29.8
95.01402	6.0
97.02985	2.8
99.00881	3.6
101.02455	97.8
112.01725	2.3
113.02471	42.0
114.02795	2.6
119.03513	17.8
125.02438	4.1
131.03516	9.9
132.04649	5.0
143.03490	8.2
149.04565	21.2
152.07166	4.4
155.03563	2.4
161.04575	43.7
179.05690	3.4
189.12863	8.8
195.04933	2.6
201.84976	2.4
203.05470	2.4
203.08322	5.7
207.13478	2.0
221.06734	11.4
245.09258	12.6
279.84030	2.5
297.12631	2.7
299.13132	2.4
315.13644	2.9
359.12427	3.0
369.19162	6.6
387.20355	22.5
389.21716	23.3
429.21283	39.2
430.21667	7.0
658.47449	3.0
721.94470	2.5
781.81421	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	863.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01719	10.1
69.03481	1.8
71.01388	100.0
71.54260	1.1
72.01730	2.1
72.99308	5.8
73.02952	36.2
74.02486	5.2
75.00866	2.4
82.47781	0.9
83.01389	13.2
85.02955	26.5
86.03314	0.9
87.00887	6.3
89.02454	54.3
90.02768	1.1
95.01399	7.2
97.02938	1.6
98.02475	1.4
99.00883	5.3
101.02454	57.6
102.02779	1.3
104.67583	0.7
111.00922	0.8
113.02457	42.0
116.05073	1.8
119.03515	18.9
122.06154	1.1
125.02466	2.4
129.01871	1.0
131.03510	3.2
137.02441	2.3
137.09737	1.7
138.01970	6.3
139.02377	1.7
143.03526	6.1
145.35548	0.8
149.04565	3.6
153.09120	0.8
155.03490	1.0
159.02969	2.6
161.04573	22.5
162.04930	0.9
173.09718	2.1
179.05617	7.6
189.12871	24.3
190.13190	1.7
193.05130	1.1
195.05136	1.1
203.08334	5.2
207.13875	4.5
209.11896	1.7
221.06650	1.0
227.16516	1.6
245.09326	12.0
280.08401	1.1
284.03430	0.9
295.10764	1.1
313.11844	2.1
357.10870	3.5
369.19177	15.4
370.19467	1.8
387.20288	42.1
388.20374	4.3
389.13522	2.5
389.21866	60.5
390.22180	6.9
429.21295	95.1
430.21658	13.2
431.18994	1.2
453.26077	0.9
529.27106	1.0
529.81873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	0.5
67.88404	0.4
71.01379	1.0
71.24103	0.6
73.02950	1.3
79.01901	0.6
83.01418	0.6
93.03406	0.6
97.02961	0.7
101.02456	1.3
105.03435	0.6
109.03008	1.9
113.02483	0.4
119.05038	0.7
121.02947	1.2
125.02420	0.8
125.60156	0.4
133.02959	9.5
135.04521	0.8
137.02443	1.4
145.02936	0.6
147.04550	0.9
149.02431	1.2
151.00359	0.7
151.04004	0.6
161.02495	1.0
161.04610	0.4
163.00381	1.8
163.04015	2.3
165.01910	1.0
165.09151	2.1
175.04039	2.7
177.01924	1.1
191.03503	1.6
193.01408	0.9
197.80626	0.4
199.04010	1.4
201.01933	1.3
203.03539	0.7
213.05659	0.9
225.05556	0.7
239.03590	0.6
240.04366	0.6
241.05092	0.8
243.02925	0.5
251.03569	0.5
253.05141	1.2
255.02975	0.5
255.06628	0.7
257.04541	0.5
269.04617	0.9
281.04599	0.6
284.03308	7.8
285.04041	8.0
286.04611	0.5
297.04074	13.6
298.04797	8.6
299.05609	15.7
300.05939	1.6
309.04077	0.8
311.05634	2.2
325.03549	1.0
327.05109	100.0
328.05475	10.0
339.05084	3.3
340.05362	0.5
341.06638	0.9
357.06177	26.9
358.06415	2.5
369.06161	2.8
387.09146	0.6
393.06195	1.3
429.21390	0.9
447.09335	89.5
448.09711	10.6
506.55933	0.5
509.09695	0.4
523.05200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.189
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	6.0
73.02934	4.6
75.00883	5.9
85.02956	5.5
87.00873	13.1
89.02425	3.3
93.03486	2.6
96.13255	2.5
96.13857	2.2
97.82111	2.1
98.19926	4.8
99.00903	3.8
99.20649	2.1
101.02458	5.2
109.02953	7.0
113.02473	2.7
121.02943	7.8
124.01614	3.2
125.02442	9.6
128.54648	2.0
129.01965	2.3
134.03734	10.8
135.04506	2.1
137.02440	6.6
146.03821	2.5
147.04526	2.0
148.01674	2.3
149.02441	5.6
149.05968	2.6
151.00287	2.5
161.02495	10.3
161.04547	3.3
161.06122	2.7
162.03217	2.5
163.00285	2.5
163.04010	6.0
164.01125	2.1
167.10556	2.1
175.03983	4.7
177.01938	2.3
177.04102	11.4
179.03548	2.5
179.07098	3.3
181.08751	2.0
185.05876	2.2
187.03944	10.0
189.02000	2.0
189.05685	2.8
193.05089	12.1
195.05110	9.7
201.05580	2.8
205.05081	2.8
209.08209	3.1
211.04036	3.2
212.04572	2.2
213.05624	3.9
215.03439	2.6
227.03439	6.8
227.07036	2.8
228.04190	4.3
229.05045	12.5
229.38902	2.5
241.05078	4.9
242.02161	5.8
243.02986	5.9
244.03777	3.3
253.04982	3.4
255.03027	5.6
255.06889	3.6
257.00919	2.9
257.04614	7.9
258.01688	6.6
267.03003	4.3
269.00906	3.5
269.04462	6.6
271.02435	10.7
272.03110	4.5
273.04050	16.9
274.04425	2.5
281.04352	3.6
283.02451	2.5
285.04019	8.4
289.07220	5.8
297.03812	3.5
299.05661	4.5
300.02759	2.4
301.03683	4.3
343.04419	3.3
349.07263	4.4
365.06628	4.9
368.21808	2.1
371.09796	44.7
372.10162	3.5
375.04672	3.2
392.05359	2.6
393.06268	8.5
411.07346	5.9
418.03406	2.9
421.05621	4.8
422.06454	53.1
423.07108	30.8
424.07391	3.6
431.07404	3.1
447.22601	2.7
448.07965	8.8
449.08676	6.1
464.07553	5.4
465.07974	4.6
555.07593	5.0
575.11847	4.1
731.18573	4.5
773.19104	3.6
801.18646	5.0
803.17017	11.4
827.16638	6.9
863.18909	100.0
864.19238	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01709	10.8
67.18388	2.6
67.70715	2.5
68.28767	2.4
69.03450	3.0
71.01385	100.0
72.01752	2.8
72.99308	5.4
73.02954	99.0
73.03364	5.5
73.63087	2.6
74.03293	3.5
75.00875	4.5
76.72773	2.5
83.01392	32.1
85.02956	20.4
87.00890	3.9
89.02449	44.4
95.01390	6.8
97.80935	2.3
99.00909	2.9
101.02454	100.0
102.02787	5.1
113.02465	46.0
113.04996	2.8
119.03515	22.3
119.05006	5.2
125.02386	3.2
131.03490	6.1
134.03665	3.2
138.01962	3.0
138.05623	7.8
143.03497	12.1
149.04549	20.2
159.02904	3.3
161.04564	40.3
162.04846	4.4
165.09213	11.3
177.65173	2.6
178.89160	2.8
179.05606	6.5
185.87859	2.7
189.12799	4.4
193.05159	3.2
203.05661	5.2
203.08067	2.9
205.12369	3.0
209.06691	4.3
221.06689	18.9
223.13379	7.5
245.09378	5.4
276.07962	2.8
285.03931	3.5
297.04037	4.0
299.05588	4.9
303.14063	2.8
327.05118	22.7
328.05490	3.6
341.12396	19.0
357.06238	5.1
369.19315	4.0
385.11096	3.4
387.11316	2.5
387.20236	16.1
396.96948	2.6
403.25427	2.8
429.21353	36.7
430.21738	4.8
447.09372	29.2
459.26086	6.6
617.38190	2.5
634.82910	2.8
748.55115	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	859.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01729	2.2
66.94788	1.5
67.46159	1.1
69.03475	2.8
69.51781	5.1
69.52205	3.9
71.01389	73.6
72.01720	1.5
72.99313	4.7
73.02953	100.0
74.03268	1.6
75.00875	4.5
78.98524	1.2
83.01398	27.4
84.01743	1.6
85.02950	11.3
87.00888	10.0
89.02453	27.5
93.03502	1.6
95.01415	2.6
96.96030	1.4
97.02923	1.6
99.00889	1.7
101.02451	88.6
112.63660	1.3
113.01723	2.4
113.02460	34.1
119.03519	14.2
121.02991	1.9
123.04500	1.4
125.02470	4.2
127.02495	1.3
131.03506	7.6
134.03700	2.2
134.59239	1.6
137.06113	2.0
143.03508	10.9
146.03720	2.6
149.02582	2.0
149.04570	21.2
155.03484	2.2
161.02469	1.3
161.04558	34.9
161.05914	2.6
164.07138	1.8
167.03554	2.3
173.04553	3.6
174.91957	1.5
179.05618	4.5
179.07021	2.9
195.05133	1.9
203.05649	3.0
204.81610	1.3
206.08191	1.5
221.06673	16.2
238.10788	1.4
278.22128	1.5
370.15851	2.0
371.10297	1.4
404.50977	1.5
429.21497	6.4
473.12888	4.3
609.14691	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	859.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82143	0.9
71.01388	11.8
72.76104	0.8
72.99308	2.3
73.02940	4.2
79.38987	0.9
83.01403	1.5
85.02948	5.6
87.00879	1.0
89.02443	5.8
93.89735	0.8
95.01380	2.6
96.95960	1.2
99.00876	2.7
101.02461	4.7
108.02180	56.4
109.02985	13.6
113.02448	3.7
123.04480	1.0
124.11427	0.9
135.04488	1.4
151.04005	2.8
152.01155	100.0
153.01917	6.1
159.59343	1.1
161.04549	3.2
161.13373	1.7
161.22772	0.9
163.03972	5.9
167.15926	1.0
177.01950	1.5
179.03508	2.1
179.42009	1.0
205.12364	2.3
267.00552	0.9
315.07199	2.3
327.09125	1.0
429.10266	7.6
445.20792	1.1
447.11432	22.7
448.11856	2.4
453.51855	0.9
470.60065	1.0
537.22485	0.9
551.76538	1.1
590.53192	1.0
617.25781	0.9
635.23450	1.3
679.22064	3.8
760.31500	1.3
859.28729	71.1
860.29071	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	859.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01711	13.2
65.37946	2.3
66.60864	2.2
69.03461	4.2
71.01387	100.0
71.54915	2.5
72.99293	5.4
73.02950	82.2
74.02486	5.1
74.03312	3.1
75.00887	3.8
83.01397	28.1
85.02945	22.0
87.00882	6.5
89.02452	56.7
95.01383	7.4
101.01804	4.9
101.02453	94.0
102.02785	4.4
108.02207	2.2
113.02459	51.0
114.02762	3.7
116.05024	3.0
119.03503	30.8
119.04998	4.5
125.02461	3.5
127.07804	2.5
131.03511	9.7
138.05553	4.0
143.03474	13.2
149.04579	20.8
161.04579	40.8
165.09184	11.9
171.48294	2.5
179.05699	12.0
186.69574	2.3
189.12843	6.2
193.05031	2.6
203.05713	3.7
203.08235	5.7
221.06650	11.3
223.13312	8.9
245.09261	15.2
265.14352	4.4
272.09677	2.5
299.05411	2.8
327.05099	15.1
341.12430	18.5
357.06140	3.1
369.19284	5.6
387.20258	21.3
429.21301	47.6
430.21567	7.3
447.09314	15.2
448.09854	3.0
584.76263	2.6
713.95471	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	857.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79235	2.3
61.98834	3.0
69.03465	5.7
69.17538	23.8
71.01388	60.4
71.05025	2.5
72.99318	5.8
73.02953	16.8
73.62019	2.2
78.36665	2.2
81.03485	2.2
83.01409	11.4
85.02959	36.8
87.00881	8.6
89.02454	12.2
95.01395	10.7
96.96035	15.4
97.02951	10.2
99.00890	8.7
101.02448	32.1
102.02853	2.2
111.00879	7.6
112.01671	2.7
113.02463	34.3
114.02785	2.8
119.03522	3.8
121.06645	3.2
124.01630	3.3
125.02470	20.7
143.03485	8.1
161.04547	5.2
175.04073	3.1
184.31407	2.1
195.06767	2.5
219.74519	2.2
220.02698	2.2
249.11415	2.9
253.56372	2.5
269.04840	2.7
292.09286	2.3
300.02847	3.0
343.28522	2.7
361.29706	22.5
461.48676	2.7
505.33917	13.9
523.34723	9.2
583.80267	2.4
631.36481	4.6
649.38013	75.8
650.38330	13.9
665.37274	3.3
667.39105	100.0
668.39319	19.1
685.40387	22.2
686.40332	2.9
709.40161	44.2
710.40399	9.5
726.63745	2.7
727.41022	47.3
728.41315	7.1
764.93701	2.5
769.42084	7.7
773.89325	2.6
809.90942	2.7
857.40839	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	857.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79235	2.3
61.98834	3.0
69.03465	5.7
69.17538	23.8
71.01388	60.4
71.05025	2.5
72.99318	5.8
73.02953	16.8
73.62019	2.2
78.36665	2.2
81.03485	2.2
83.01409	11.4
85.02959	36.8
87.00881	8.6
89.02454	12.2
95.01395	10.7
96.96035	15.4
97.02951	10.2
99.00890	8.7
101.02448	32.1
102.02853	2.2
111.00879	7.6
112.01671	2.7
113.02463	34.3
114.02785	2.8
119.03522	3.8
121.06645	3.2
124.01630	3.3
125.02470	20.7
143.03485	8.1
161.04547	5.2
175.04073	3.1
184.31407	2.1
195.06767	2.5
219.74519	2.2
220.02698	2.2
249.11415	2.9
253.56372	2.5
269.04840	2.7
292.09286	2.3
300.02847	3.0
343.28522	2.7
361.29706	22.5
461.48676	2.7
505.33917	13.9
523.34723	9.2
583.80267	2.4
631.36481	4.6
649.38013	75.8
650.38330	13.9
665.37274	3.3
667.39105	100.0
668.39319	19.1
685.40387	22.2
686.40332	2.9
709.40161	44.2
710.40399	9.5
726.63745	2.7
727.41022	47.3
728.41315	7.1
764.93701	2.5
769.42084	7.7
773.89325	2.6
809.90942	2.7
857.40839	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	851.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	80.3
68.12959	2.7
69.46305	16.1
71.01391	16.1
73.02950	3.3
75.00883	2.7
80.05065	5.8
83.01398	5.8
85.02969	6.5
87.00877	13.3
88.01241	2.4
89.02454	5.4
94.02988	7.0
94.06653	4.9
96.96037	11.8
98.20589	3.9
99.00896	2.9
101.02464	7.8
104.05105	3.7
106.06615	4.3
107.03783	10.3
108.04536	2.8
110.06133	2.3
113.02448	5.2
115.00359	10.8
120.04587	4.1
120.08209	8.2
122.06135	51.3
124.04096	2.9
127.00376	4.9
128.19916	2.3
132.04591	6.3
134.06139	12.2
135.04591	3.3
136.04041	3.9
138.05585	3.9
148.04062	4.3
148.07712	9.4
149.02428	2.7
150.05641	7.0
151.00366	3.3
152.07193	100.0
152.08426	4.9
153.07542	4.8
158.02513	3.4
160.04082	5.3
161.04681	3.9
162.05585	3.2
163.04012	3.3
164.07123	3.4
165.01981	3.1
173.06042	2.9
174.05577	3.6
175.02457	14.3
176.07214	6.0
176.10533	2.5
180.04199	3.1
190.05103	16.7
193.51952	2.2
195.06636	2.2
201.10365	7.3
211.07933	2.1
213.10248	3.6
220.09451	2.6
223.06163	4.5
225.10379	3.1
227.11899	5.0
229.09904	11.4
229.13474	4.9
231.10240	7.4
237.10378	5.4
239.11983	7.5
245.12955	8.8
249.10291	3.5
250.07524	3.0
251.11961	2.7
255.11420	3.8
257.13043	5.2
264.08972	2.6
265.09839	8.3
267.11404	6.7
277.09720	4.9
278.10574	6.0
279.11322	12.3
285.04095	6.0
291.07925	2.6
291.11478	4.6
293.09259	3.4
295.05945	2.7
295.10934	7.2
297.12338	3.3
301.11948	9.1
305.09180	2.6
307.10883	9.4
307.17615	2.5
309.12408	4.6
313.12003	6.3
319.13113	37.4
320.13455	2.5
323.10336	8.2
325.11960	7.4
327.13785	2.5
337.12012	3.0
341.11310	7.2
349.11847	2.7
349.18420	2.7
355.13019	28.3
356.13791	3.0
374.15216	7.9
392.16153	5.2
416.15982	4.0
430.18094	4.1
431.09824	3.4
434.17120	5.2
472.18341	2.6
500.18616	3.0
532.21039	17.5
544.17334	4.7
557.23987	4.3
574.21893	2.7
576.20081	11.5
577.20544	3.6
578.21405	8.0
579.22375	4.3
599.24951	25.6
600.18799	4.7
601.19934	3.0
615.24908	4.6
618.21051	9.4
619.21295	3.9
620.22455	6.3
621.23486	6.7
622.23187	2.8
632.22516	3.2
633.23822	4.3
634.21497	8.1
641.22961	5.1
643.24152	50.1
644.24475	10.5
650.23718	10.1
657.25879	3.4
665.22522	4.7
673.25208	11.4
675.26605	74.2
676.27533	16.7
683.23602	19.4
697.25214	6.9
701.24469	22.8
702.25452	4.4
715.26306	19.6
716.26477	3.3
717.20294	2.6
733.27582	22.4
734.27240	5.5
791.27740	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	853.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65608	3.9
71.01397	5.7
73.02969	1.7
82.91085	0.6
85.02973	2.3
89.02490	0.7
96.96030	5.6
99.00886	1.1
101.02415	3.0
113.02460	2.0
113.16856	0.7
116.02236	0.6
121.02981	0.8
125.02454	1.0
135.04510	3.0
147.04460	1.2
148.05318	100.0
149.05647	4.5
158.87236	0.6
159.42798	0.7
161.04572	2.7
163.04030	20.4
163.07663	94.7
164.04393	1.1
164.07971	4.8
178.06375	16.0
179.06749	1.0
193.08707	24.2
194.09053	1.3
203.05612	5.4
366.90302	0.7
645.35559	1.1
663.35699	1.0
695.39777	0.7
720.14569	0.8
817.34680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83200	2.3
69.03454	9.8
69.71281	13.9
71.01387	83.5
71.05017	2.2
72.99323	8.4
73.02959	27.3
75.00867	3.9
81.03496	2.7
83.01389	18.7
85.02957	50.1
87.00874	11.5
89.02469	17.7
95.01379	11.5
96.96009	14.8
97.02960	6.6
97.06566	3.4
98.19897	3.3
99.00901	11.7
101.02465	41.5
101.76440	2.6
111.00880	6.3
112.01691	3.5
113.01713	4.2
113.02460	43.9
119.03550	6.8
124.01700	4.2
125.02479	19.1
129.01953	3.3
134.03751	2.6
143.03511	5.6
149.06024	4.4
160.01671	2.7
161.04547	10.7
167.03564	2.8
199.87901	2.7
229.18124	5.6
249.06264	2.4
271.22968	4.1
341.27081	3.4
359.27930	7.6
369.59372	2.6
415.26913	3.5
433.28058	7.2
485.31369	10.6
487.12543	2.7
503.32230	23.0
504.32321	5.0
521.33484	7.0
647.36487	82.0
648.37097	15.3
665.37512	100.0
666.37897	23.2
683.38434	22.1
684.39832	5.5
707.38635	36.9
708.38342	11.3
725.39801	52.6
726.39984	10.5
767.40802	10.3
768.40857	3.7
811.39709	26.5
812.40045	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	851.3
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.4
69.55833	9.2
71.01382	8.3
71.30135	1.6
72.99321	1.7
73.02914	2.1
74.73856	1.4
77.44404	1.4
80.05064	4.7
81.41890	1.6
85.02943	2.1
87.00890	18.3
94.02985	4.1
94.06622	2.4
96.96019	3.7
101.02481	2.5
104.05053	1.6
106.06657	1.9
107.03809	7.0
108.04536	2.3
115.00385	15.0
120.08199	3.0
121.05274	1.6
122.06129	33.5
124.04037	2.2
132.04536	3.1
134.06155	7.4
136.04041	4.0
138.05602	3.4
148.04047	3.2
148.07683	1.8
150.05630	7.0
152.07184	54.1
153.07436	2.3
157.27637	2.0
160.04152	1.7
162.05614	2.9
168.06905	1.9
174.05576	4.6
175.02502	16.7
190.05118	5.6
201.10309	6.8
213.10422	5.2
227.11888	2.9
229.09865	10.2
229.13383	1.9
237.10240	2.3
239.11977	4.7
245.12953	6.5
247.10924	1.9
255.11357	4.5
257.12982	4.7
265.09695	3.3
267.11151	2.0
273.12500	4.7
278.10797	1.9
289.11908	2.0
291.11450	2.9
295.10797	3.9
301.12057	9.8
307.11041	2.8
309.12289	2.3
313.11960	5.5
319.13040	40.2
320.13367	3.2
323.10339	4.9
325.12030	2.1
327.13565	3.5
351.10159	1.5
355.13025	10.7
359.12531	2.2
374.15039	7.4
391.15195	3.3
392.16397	7.6
416.15765	3.5
434.17188	4.5
444.19455	1.5
446.17407	3.0
500.18137	2.6
532.21167	4.9
539.23718	1.6
557.24133	4.9
576.19781	4.3
578.21362	5.2
579.21198	2.3
599.25055	25.0
600.25928	3.1
634.20056	3.6
641.22882	2.1
643.24133	62.5
644.24670	14.4
673.25208	3.2
675.26715	100.0
676.27112	24.0
683.23431	5.7
701.24628	7.1
715.26147	5.4
733.27429	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	851.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
65.78775	2.0
66.33511	1.9
71.01389	17.8
72.99306	2.4
73.02964	6.1
73.70231	2.1
75.00882	3.0
76.55920	2.0
80.05075	5.3
83.01397	7.7
85.02946	3.0
87.00902	14.1
89.02449	5.0
94.03011	6.3
94.06619	7.0
96.96029	5.7
101.02458	9.4
106.06658	2.9
107.03783	7.4
113.02497	4.5
115.00395	12.5
120.04670	2.5
120.08212	10.3
122.06143	54.0
127.00377	3.1
132.04568	6.0
134.06111	13.5
134.55997	2.1
136.04088	5.2
137.02408	2.8
138.05620	4.2
139.02765	3.0
147.05614	3.2
148.04005	2.5
148.07738	11.7
149.02448	4.0
150.05624	7.8
152.07191	99.4
153.07507	3.2
158.02536	2.8
160.04041	5.2
161.04634	5.0
162.05528	2.6
164.04825	2.6
173.06032	3.0
174.05623	7.3
175.02486	11.5
176.07210	5.6
190.05130	17.4
190.08705	2.5
195.06616	5.1
201.10399	6.0
213.10275	3.2
223.06232	5.9
223.08823	3.7
227.11853	3.3
229.09839	8.8
229.13501	5.0
231.10275	10.2
237.10359	5.3
239.11877	8.4
241.09724	2.4
245.12923	9.4
250.07402	3.3
251.08311	4.9
251.11923	2.9
253.09659	2.4
255.11285	5.5
257.12927	3.5
263.08289	4.0
264.08984	4.0
265.09723	8.0
267.11462	6.3
276.08881	2.8
277.09634	3.5
278.10739	4.1
279.08102	2.6
279.11304	13.6
281.13120	3.1
285.03979	3.0
291.07834	4.0
291.11072	4.6
292.08640	2.7
293.09286	6.0
295.10782	7.0
300.02820	2.3
301.11957	9.2
305.09348	3.3
307.11063	7.3
308.11389	3.3
309.12488	3.5
313.12018	4.1
319.13132	42.4
320.13159	2.7
323.10309	10.0
325.11905	5.6
327.13370	3.2
337.11981	4.2
341.11502	6.0
349.18713	2.6
351.10007	4.0
355.13046	32.2
356.13766	3.3
372.13345	2.9
374.14914	7.2
392.16229	10.0
416.16296	6.2
500.18082	3.3
502.19977	3.0
517.18634	2.5
520.21057	2.8
531.25903	3.0
532.21063	17.4
539.22302	3.7
544.17236	5.3
546.18713	3.2
557.24072	5.3
558.24304	3.2
574.21686	3.9
576.19952	12.9
577.20319	5.3
578.21777	7.5
579.22296	4.3
583.21533	3.5
588.20154	5.0
595.54907	2.6
599.25275	26.3
600.19043	3.8
618.21033	9.5
621.23920	5.1
632.22852	8.3
633.23315	2.8
634.20923	8.2
641.22614	8.4
643.24109	50.5
644.24347	12.7
650.23236	10.7
651.23914	3.2
665.22986	3.8
673.25372	12.8
674.25714	2.8
675.26715	71.0
676.27545	13.7
683.23621	18.8
684.23682	4.0
697.25177	6.3
701.24835	22.0
702.24670	4.3
715.26227	20.3
716.26331	3.9
733.27441	19.5
734.28278	4.9
791.28229	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	847.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	79.0
60.01719	1.2
68.24609	0.4
69.24003	1.3
69.24415	2.3
71.01391	5.7
73.02959	2.7
75.00896	0.4
80.05080	1.1
82.69717	0.4
83.01414	0.8
85.02965	3.0
87.00885	0.6
89.02448	2.5
94.06635	1.7
98.20743	0.9
101.02446	4.5
104.05073	5.5
106.06627	0.6
107.03767	3.7
108.04572	6.7
113.02455	2.3
119.03503	0.9
120.04556	0.9
122.06130	26.7
123.06490	0.7
124.07690	1.3
132.04567	57.3
133.04913	2.4
134.06166	3.2
139.02708	0.5
144.04576	0.8
148.04083	4.0
150.05655	2.2
152.01134	0.7
152.07185	74.4
153.07524	3.0
160.04077	0.8
161.04591	1.7
163.04045	0.4
164.07243	0.4
166.05061	0.4
176.03546	8.2
177.03963	0.7
181.05064	1.6
188.03531	1.7
190.05035	0.5
195.05086	0.8
205.12428	0.9
208.06113	3.1
269.12939	5.5
273.12457	5.5
274.12778	0.5
277.29694	0.4
283.06018	0.7
285.04123	0.6
297.12451	30.6
298.12854	2.9
313.11951	6.4
314.12314	0.6
341.11432	65.0
342.11743	7.7
369.18976	1.9
373.14059	100.0
374.14371	10.5
387.20261	3.3
429.15903	0.7
429.21292	9.7
430.21542	1.4
637.39398	0.5
651.13440	0.5
860.60004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.35652	0.8
60.01714	1.4
61.98857	0.8
65.72684	0.9
69.03459	1.0
69.51714	4.9
71.01388	14.3
72.93843	0.7
72.99319	1.3
73.02950	10.6
75.00895	1.3
83.01390	3.7
85.02958	4.3
87.00904	1.5
89.02455	7.0
95.01401	1.2
95.51661	0.8
96.96004	1.9
101.02458	13.0
102.73090	0.8
109.02962	0.8
109.24178	0.7
113.01769	1.4
113.02442	6.2
119.03503	2.9
131.03482	1.3
143.03502	1.4
149.04553	3.4
152.01131	1.0
153.02129	0.9
154.30841	0.9
161.04567	5.0
167.03474	1.0
179.05611	1.5
195.05075	1.4
221.06717	1.2
291.83469	0.9
297.07999	1.0
299.25443	0.9
371.20700	1.9
409.74344	0.9
413.21719	4.9
414.90439	0.8
418.23419	0.8
847.30029	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	848.9606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	45.7
67.55897	0.6
71.52876	0.7
71.53283	0.7
88.89804	0.6
90.97150	1.9
100.19964	0.6
118.96612	1.0
128.44476	0.7
132.98210	1.5
149.07709	0.7
171.24670	0.6
174.99277	26.0
178.00975	0.6
192.95959	0.9
217.00322	100.0
218.00601	3.9
218.79628	0.6
374.99252	61.0
375.99600	3.8
487.77716	0.7
532.98236	32.1
533.98712	2.3
690.96967	5.5
691.97272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	8.1
71.01388	2.3
71.55249	0.9
72.99331	0.5
73.02957	0.9
77.03973	0.9
83.01401	0.4
85.02954	1.4
86.54782	0.4
89.02478	1.2
90.97458	0.6
93.03461	1.2
96.96017	1.5
101.02433	1.0
105.03527	0.5
113.02454	1.1
117.03479	4.2
119.05076	0.9
121.02953	1.8
125.09717	0.5
127.50355	0.5
135.04503	1.8
147.04468	0.8
149.02400	1.1
152.01132	1.3
152.06340	0.7
161.02452	1.4
161.04738	0.5
163.03979	1.8
165.01920	0.8
165.07080	1.0
167.08675	4.3
169.06601	10.1
170.06903	0.8
173.02470	0.6
175.04025	0.9
179.03499	0.5
181.01366	0.7
191.03543	1.0
193.06671	1.3
196.05319	1.1
209.06140	3.7
211.07663	100.0
212.07977	8.2
237.05602	4.8
239.06941	0.7
241.73003	0.5
245.09286	0.8
253.05029	0.6
255.06577	0.9
256.22876	0.6
268.03714	1.0
269.04550	1.5
281.04602	1.2
282.05341	0.6
283.06149	20.0
284.06567	1.5
285.17084	1.3
293.04706	1.0
295.06223	0.6
300.02866	1.3
311.05649	34.8
312.06024	3.9
323.05676	1.5
341.06625	2.6
373.18964	0.6
417.11951	80.1
418.07196	0.9
418.12308	9.5
431.09854	49.3
432.10129	6.4
433.10626	0.7
463.08743	1.7
680.79700	0.6
849.25134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.7
70.01107	1.7
70.01500	2.6
71.01405	2.4
73.02921	1.1
77.03974	1.0
81.03455	2.0
85.02949	1.6
85.51206	0.8
87.00875	1.4
91.01905	1.4
92.99691	0.9
93.03459	4.8
96.96014	1.2
98.20618	1.3
101.02433	1.3
107.05036	3.6
109.02930	1.2
117.03449	3.3
119.05016	2.1
122.03751	15.2
134.03752	7.3
135.04404	1.3
136.96771	1.0
137.02451	2.0
147.04498	1.3
149.02414	2.0
149.06065	4.3
156.05768	1.1
161.02449	2.2
163.04004	2.2
165.05588	33.6
166.05873	1.8
169.10245	2.3
171.08173	7.6
175.04001	1.1
178.02705	3.7
193.03346	1.8
193.05060	27.1
194.05380	1.0
209.04517	2.2
213.09221	100.0
214.09578	7.5
237.04050	3.6
239.07146	7.3
263.12994	1.6
268.03790	1.0
269.04321	2.2
281.04645	1.4
283.06174	15.5
284.03497	1.2
284.06409	1.4
311.05652	25.8
312.05817	2.5
323.05539	3.6
341.06683	13.7
378.12338	1.0
419.13501	90.8
420.13852	9.2
431.09845	48.4
432.10141	6.3
507.90179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.2
64.01911	0.7
64.22180	0.7
68.85790	0.7
68.99846	0.7
70.08225	2.5
71.01392	5.6
73.02951	2.6
73.29643	0.7
75.00882	2.5
80.05070	8.7
83.01389	1.3
85.02926	1.2
87.00885	1.6
88.70783	0.6
88.87525	0.8
89.02460	3.0
95.01387	0.9
96.96013	2.1
99.00874	0.8
101.02442	3.7
104.05078	6.7
107.05060	0.8
108.04567	77.7
109.04913	1.9
113.02438	2.9
121.02978	1.3
122.03800	0.6
122.06140	1.6
125.02478	1.4
129.01991	0.8
132.04565	55.6
133.04877	2.4
134.03690	0.9
135.83093	0.8
137.02451	2.0
147.04506	0.8
148.04044	6.3
149.04575	1.0
152.03551	0.8
155.51251	0.7
159.04521	1.2
160.04022	1.0
161.02567	1.0
161.04553	1.5
164.03595	0.9
164.04790	1.0
164.07076	0.7
165.01953	3.9
166.02736	1.5
175.03963	1.0
176.03520	7.6
177.03931	0.8
179.03526	1.2
179.07043	1.1
180.04257	2.2
181.05080	1.2
188.03575	0.8
190.05110	1.3
195.05084	2.5
195.06689	2.5
208.06122	7.9
225.05594	0.9
225.07701	2.0
225.10312	3.6
229.09819	5.2
241.04962	1.2
251.08105	0.9
253.05244	2.2
253.09845	33.2
254.10214	3.8
269.04562	3.9
269.09274	3.9
270.05237	1.0
271.06131	1.6
279.07874	1.7
281.04584	1.4
283.06177	1.0
284.06830	1.8
285.04395	0.8
285.07755	1.5
286.08533	1.9
295.07013	1.5
297.03961	1.6
297.08820	41.3
298.09006	4.1
299.09250	2.1
300.02722	0.7
301.10864	1.2
311.05582	0.7
312.06384	1.7
323.06470	2.0
325.07385	0.9
326.07980	1.1
327.08777	4.3
329.11459	28.0
330.11761	3.3
337.07043	0.7
338.07932	1.3
353.10831	0.9
355.09415	4.9
356.09473	1.2
369.09732	1.4
373.10431	100.0
374.10773	12.7
375.10828	1.6
387.11356	1.2
397.09735	1.1
417.15469	2.2
429.21506	1.5
459.09222	0.9
567.77887	0.7
595.22021	1.4
596.21960	0.9
609.14990	1.6
634.26086	0.8
643.24042	0.8
651.14032	1.4
847.30426	16.0
847.44373	1.4
848.31409	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	847.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.5
61.74941	0.5
61.98821	1.8
63.02397	1.2
70.01266	1.8
70.95165	0.5
71.01379	2.1
71.41174	0.5
85.02974	0.5
91.01908	6.4
96.96015	4.5
101.02448	0.6
106.74962	0.5
113.02471	0.7
125.02421	0.5
126.88293	0.6
135.00893	0.6
148.01669	1.8
149.02502	0.5
161.02411	1.6
169.06570	4.9
170.07071	0.6
181.06554	1.1
192.02371	3.5
193.03023	0.7
195.08163	1.7
209.06029	1.1
209.11786	1.3
210.06882	4.1
213.09210	1.9
224.01343	3.8
237.05511	3.9
238.06393	4.7
239.07129	23.9
240.07468	2.0
255.06715	0.9
257.08179	1.4
267.08435	0.5
281.08310	1.7
281.15891	0.5
282.08408	3.8
283.07874	63.4
284.08237	4.6
297.50098	0.5
310.48877	0.6
337.61691	0.5
346.10526	0.6
374.09839	0.6
401.11935	1.2
418.08606	0.7
431.09195	1.2
441.68344	0.6
477.15204	2.8
478.15625	0.8
479.16861	0.7
521.14801	0.6
522.15106	3.6
523.15588	2.3
551.15167	3.6
552.15424	1.0
565.16614	1.5
594.16028	0.7
637.18958	0.7
684.20197	1.3
685.20923	3.6
788.20667	0.6
846.26886	1.1
847.26373	100.0
848.26733	23.7
848.39777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.9
67.01460	0.4
67.01888	1.6
69.35815	3.5
71.01402	2.4
73.02976	1.2
75.00888	0.6
81.94519	0.5
85.02989	0.7
93.03475	0.9
95.01377	1.2
96.96027	2.1
98.19861	1.0
101.02474	1.2
105.50091	0.5
107.05105	0.6
109.02979	4.8
113.02451	1.1
121.02995	1.2
122.06150	2.9
123.00913	2.2
124.01615	1.0
125.02483	1.1
131.05023	0.7
134.03709	0.7
135.04547	1.2
136.01686	1.8
137.02455	28.7
138.03233	0.6
139.00401	0.8
139.04016	0.9
145.03020	0.6
149.02498	2.0
150.03230	2.1
151.00380	14.6
151.04016	5.5
152.01143	2.3
152.04778	2.5
152.07181	7.4
153.01982	0.8
158.02538	0.6
159.04492	0.8
161.02408	1.1
161.59392	0.5
162.03250	1.1
163.04091	0.7
164.01212	2.7
164.04866	0.6
165.01944	100.0
165.05577	4.1
166.02724	39.6
166.06398	1.0
167.03450	3.5
175.04053	2.2
176.04807	0.8
177.01958	2.3
177.05598	1.5
178.02757	1.4
179.03511	21.2
179.07056	0.7
180.04295	60.0
181.05074	47.8
182.05412	1.8
184.03746	1.8
187.04007	1.6
190.02632	1.0
190.04959	2.8
191.03542	1.4
191.07150	0.6
192.04315	0.9
193.05029	2.9
194.05864	4.2
195.03058	2.7
195.06638	78.2
196.06931	3.2
202.06255	0.6
203.03654	0.7
205.05055	6.3
205.08658	1.2
206.05640	0.7
207.06630	1.9
209.08170	0.7
210.05324	12.5
211.05875	0.6
219.06857	0.8
220.07410	4.1
222.07733	2.6
225.07700	62.6
226.00462	0.5
226.08022	4.2
275.09262	0.6
281.04865	0.6
321.50342	0.5
339.08661	0.6
355.11755	0.7
359.11258	2.3
360.11392	0.6
371.11371	1.2
371.15842	0.7
372.12265	1.0
385.12878	0.6
386.13791	1.0
387.10709	6.1
387.15167	13.0
388.11102	0.7
388.15497	2.2
399.14731	0.8
402.13095	3.6
403.14075	2.6
403.60721	0.5
415.23514	0.8
416.14557	3.2
417.15558	59.1
418.15909	6.8
536.16296	0.6
536.65704	0.6
549.17914	0.7
550.18573	0.6
565.16870	3.4
580.19336	1.4
595.21887	58.3
596.22229	11.8
599.21057	0.6
613.23218	1.5
624.80536	0.6
625.22986	1.2
643.24072	26.2
644.24530	4.3
720.61383	0.6
848.30780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
69.32531	4.2
71.01379	0.9
75.00861	0.7
85.02958	1.1
96.96014	3.3
101.02485	0.5
108.02190	1.2
109.02920	0.8
117.84460	0.5
131.01431	0.6
132.02184	3.7
136.01701	0.7
137.02414	3.4
148.01675	0.6
149.02473	0.5
152.01254	0.5
160.01659	1.8
161.02483	3.2
163.04164	0.6
167.03580	0.9
167.05042	1.7
171.04556	0.8
175.00365	1.7
183.04509	0.9
184.05241	0.8
187.03992	0.6
195.04561	2.1
196.05333	1.9
197.06058	1.1
199.04082	1.0
200.04761	0.7
201.05525	0.6
211.03986	2.2
212.04813	4.4
213.05602	6.3
214.06355	1.9
217.05148	0.5
223.03992	4.0
224.04773	12.9
225.05411	2.0
227.03523	2.2
228.04095	0.6
239.03433	4.3
240.04248	3.5
241.05037	2.8
242.05818	1.0
251.03528	1.3
252.04350	3.8
253.05009	2.2
255.02994	3.8
256.03799	1.7
267.02945	3.8
268.03772	30.3
269.04446	6.2
270.05316	5.0
280.03845	0.6
281.04562	1.7
283.06146	87.5
284.03439	0.9
284.06442	7.3
285.04117	0.8
297.04114	1.9
298.04855	96.0
299.05176	7.6
313.07202	100.0
314.07553	9.0
335.17105	0.5
380.80573	0.5
580.64081	0.5
597.23938	0.7
613.57483	0.5
654.41339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.9
61.98837	0.9
63.02394	1.4
66.51286	0.6
69.39452	5.8
71.01390	2.1
78.61296	0.7
79.95736	2.0
83.05074	0.6
85.02952	0.8
88.45903	0.7
89.02414	0.8
91.01901	7.8
96.96021	61.8
101.02444	1.1
110.90881	0.8
114.59861	0.7
126.12637	0.7
139.00214	0.7
148.01637	1.0
161.02403	1.6
169.06612	5.9
181.06705	0.9
192.02321	3.0
195.08168	1.6
209.06082	1.5
210.06903	6.1
211.07639	0.8
213.09201	1.9
224.01370	3.0
237.05544	3.5
238.06367	4.9
239.04800	1.5
239.07152	24.5
239.09558	1.3
240.07455	2.3
257.08148	2.2
281.08395	1.3
282.08234	4.6
283.07867	64.9
284.08252	6.2
299.97772	0.7
327.21701	1.0
348.02759	0.8
374.09753	0.9
395.74121	0.7
401.12329	1.2
431.09589	1.0
477.15121	3.0
479.16388	1.0
522.14789	3.6
523.15875	1.6
535.15668	1.1
551.15338	4.5
565.16699	2.0
623.16089	1.3
684.20062	1.2
685.20935	4.1
788.19299	1.2
847.26398	100.0
848.26733	25.8
848.41309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	30.5
59.31561	0.9
61.85986	1.0
61.98821	1.8
66.27728	0.7
67.01884	0.8
68.99811	1.1
69.03456	1.1
71.01389	26.3
71.55369	1.3
72.01698	0.9
72.99314	5.7
73.02943	5.7
75.00877	14.4
78.53796	0.9
81.03475	1.7
81.26188	1.0
81.79736	1.0
83.01379	3.2
85.02955	22.1
87.00890	6.9
87.35041	0.9
89.02438	5.5
93.03445	1.3
95.01409	4.4
96.96017	8.8
99.00906	9.7
101.02443	4.4
103.00375	2.0
109.02953	1.8
111.00881	1.9
113.02464	17.7
115.00339	1.5
125.02421	2.8
134.03746	1.0
153.05524	1.1
157.58337	0.8
162.91463	0.9
175.02492	1.3
209.11981	1.5
237.07755	2.5
237.17227	0.8
249.06149	7.2
252.04263	1.6
258.41699	1.0
267.06857	5.4
285.07962	2.0
325.27512	1.6
343.28534	11.2
463.09268	0.9
467.41251	1.1
467.79385	0.9
487.32825	7.4
495.97726	1.1
505.33841	16.7
506.33911	1.5
547.34747	2.6
797.41791	100.0
798.42157	24.8
813.81512	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90554	19.6
61.96124	20.7
61.98845	23.1
69.52481	100.0
69.67379	20.4
87.36285	18.0
87.76460	16.5
214.31169	19.5
235.65198	19.1
277.21765	79.1
289.45871	16.7
291.19492	29.5
309.20721	63.1
313.24197	16.7
470.26044	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	841.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.23603	1.7
68.36808	1.8
69.03457	4.1
69.87749	8.9
70.24695	1.7
71.01388	51.0
72.99318	3.9
73.02955	13.6
75.00895	4.0
83.01384	9.3
85.02966	28.6
87.00887	6.4
88.97306	1.7
89.02467	12.5
95.01418	9.8
96.96029	12.0
97.02962	6.4
98.20538	3.4
98.85677	1.7
99.00888	5.0
99.04531	2.5
99.94153	1.7
101.02464	22.6
103.15646	1.9
111.00889	4.1
112.01688	2.5
113.02462	24.4
119.03518	3.8
124.01676	4.6
125.02459	11.1
134.56891	1.8
136.47913	1.8
141.01918	2.0
143.03491	7.2
150.03101	2.7
161.04515	4.6
165.05537	2.4
175.04054	2.8
181.61021	1.8
267.07166	1.8
267.77560	1.7
277.14474	1.7
277.58212	1.7
299.25851	2.1
340.54630	2.0
345.30240	3.2
386.46576	1.8
489.34137	9.2
490.35303	2.4
496.15561	2.2
507.35165	7.4
521.33490	3.5
603.37701	2.1
633.38525	35.8
634.38599	5.0
651.39526	59.2
652.39398	10.8
655.81372	2.1
665.35504	3.9
669.40826	16.3
693.40729	19.3
694.40784	4.4
711.41650	25.6
712.41754	6.0
753.42523	2.8
841.44495	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	841.408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
63.78774	1.6
69.03450	4.3
71.01388	42.2
72.01715	1.8
72.99326	4.5
73.02956	8.6
74.03297	1.6
75.00877	2.4
81.03473	2.1
83.01382	6.8
85.02965	22.9
87.00883	5.2
89.02460	5.4
95.01394	8.2
95.02677	1.8
96.96019	5.5
97.02956	6.9
99.00881	5.2
101.02456	24.2
111.00878	2.4
112.01668	2.0
113.02473	19.5
119.03446	2.1
124.01701	2.2
125.02449	15.4
128.32440	1.6
143.03517	5.7
147.69510	1.6
160.01544	1.7
160.04242	1.6
161.04593	3.2
164.38231	1.5
190.14247	1.9
229.08379	1.9
267.07166	7.0
267.64642	1.8
284.03406	2.0
285.03995	14.9
286.04504	2.1
335.06061	2.4
345.30057	7.4
447.08740	3.0
489.34280	10.8
490.34869	2.0
507.35129	8.1
515.08044	10.7
585.36670	2.1
597.36938	2.5
615.37598	3.1
632.37341	2.2
633.38544	46.4
634.39001	8.8
649.38208	2.2
650.38318	2.6
651.39520	75.1
652.39960	14.3
669.40625	18.4
670.40259	3.7
693.40588	18.3
694.40826	6.9
711.41547	31.3
712.42090	6.6
753.42993	3.1
841.40497	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	841.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01714	3.0
60.37229	1.1
61.98826	1.5
62.29889	1.2
68.70443	1.1
69.03470	3.4
69.40210	8.0
71.01388	39.6
72.99310	2.0
73.02953	9.2
75.00877	1.9
79.72469	1.3
81.03477	2.3
81.89529	1.3
83.01382	9.1
85.02962	23.3
86.00131	2.8
86.03313	1.2
87.00863	5.9
89.02435	7.6
95.01406	6.5
96.96018	7.4
97.02962	7.2
99.00890	5.5
101.02452	22.1
102.02764	1.2
111.00923	4.1
112.01691	2.6
113.02467	23.0
114.80228	1.3
116.92862	2.6
119.03510	1.8
124.01685	5.3
125.02477	11.5
129.01953	1.8
134.03751	1.4
140.95615	1.2
143.03531	4.1
155.04221	1.3
159.03024	1.3
160.01591	1.1
161.04633	3.8
175.04106	1.5
213.09291	2.3
247.00414	1.2
267.07217	3.6
285.04028	8.4
290.76285	1.4
299.25879	3.2
303.06723	1.2
345.30099	6.4
417.67358	1.2
489.34338	8.4
490.34854	1.7
507.35056	8.0
632.37366	2.9
633.38470	40.8
634.39044	7.4
649.38940	1.6
650.38409	3.3
651.39532	67.2
652.39966	10.4
669.40637	16.2
670.41064	3.5
693.40662	23.1
694.41217	3.8
711.41687	27.0
712.42554	5.8
753.42987	3.2
797.37372	1.7
841.39038	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	841.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01708	1.7
68.99810	1.0
69.03459	2.9
69.36806	5.2
69.37222	1.9
71.01390	38.8
72.99325	1.7
73.02953	9.2
75.00912	1.4
81.03458	1.8
83.01394	6.0
85.02458	1.6
85.02962	22.9
86.00095	2.6
86.55833	1.0
87.00867	4.2
89.02450	8.0
95.01384	6.5
96.96008	2.1
97.02946	5.5
99.00887	6.5
101.02457	17.7
111.00877	3.9
112.01685	2.7
113.02477	23.0
114.02739	0.9
115.04026	1.1
119.03492	1.1
119.04961	1.0
119.23006	0.8
124.01674	5.4
125.02473	12.7
141.59839	1.0
143.03513	5.7
159.03014	2.9
161.04549	2.6
186.30183	0.8
210.00883	0.9
218.46182	0.8
299.25888	2.4
345.30179	4.7
489.34415	9.8
490.34393	1.1
507.35458	7.1
551.70337	0.9
585.36499	1.4
597.37378	1.1
615.37531	2.9
633.38574	49.6
634.39075	9.2
651.39661	69.6
652.40015	12.1
669.40704	16.5
670.41132	3.1
693.40704	27.0
694.41315	6.8
711.41730	31.1
712.42352	7.2
753.42877	6.0
791.76685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01702	2.1
61.98832	2.3
68.99828	2.5
69.03458	2.8
69.23708	7.8
69.24135	9.3
71.01391	57.8
72.01734	4.5
72.99329	4.2
73.02951	14.9
75.00882	13.2
83.01379	10.3
85.02965	36.0
86.00094	2.3
86.03299	2.2
87.00890	7.1
89.02444	16.6
95.01406	11.2
96.76369	1.8
96.96023	14.8
97.02969	5.6
99.00893	16.6
100.01270	2.4
101.02465	18.1
102.02837	1.8
111.00912	2.8
112.01704	2.9
113.02457	33.1
114.02804	2.4
115.00343	2.1
116.92854	3.2
119.03474	4.5
124.01673	4.1
125.02483	12.7
129.01997	1.8
134.03627	2.3
137.02411	2.8
143.03502	4.3
149.04575	1.7
157.01479	1.9
159.03143	2.0
161.04538	4.6
175.04033	1.8
285.04169	2.8
299.25891	2.2
345.29907	3.7
371.80850	1.7
432.25894	1.9
489.34048	9.1
507.35529	4.7
521.33698	2.7
615.37946	2.4
633.38409	40.2
634.39270	7.5
651.39539	52.6
652.39636	9.7
665.35388	4.8
669.40753	10.8
670.40637	2.1
693.40497	21.3
694.41510	5.5
711.41711	24.7
712.41895	3.2
840.45361	4.1
841.45178	66.4
842.44928	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	841.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75335	0.2
69.57061	0.5
69.57458	1.6
71.01383	0.3
77.03962	0.8
80.21523	0.3
95.05041	0.6
96.96024	1.0
105.03484	1.8
105.07111	0.4
107.05047	1.5
119.05016	0.3
122.03792	0.5
135.04523	3.2
136.05313	10.6
137.05742	0.4
139.04025	0.4
151.03951	0.6
152.04802	0.4
161.02492	0.3
169.06651	0.5
171.08170	1.0
173.06039	0.5
173.80402	0.3
179.03419	0.3
181.10234	0.6
183.08162	2.2
183.11823	0.4
189.99251	0.2
201.05576	0.3
209.09749	0.7
213.09224	1.2
223.07730	0.3
225.09221	8.5
226.09863	2.1
227.10788	41.4
228.11133	3.2
237.09140	1.6
238.10042	0.7
239.10664	0.3
251.07115	0.8
252.07968	0.3
253.08734	1.2
255.30504	0.3
263.10736	0.6
269.08228	1.0
270.08939	1.0
271.09741	0.8
277.12552	0.9
278.12665	0.2
313.48993	0.3
329.19034	0.3
345.18607	0.7
347.20169	6.4
348.20496	0.7
365.20923	0.4
373.18137	3.7
374.18356	0.4
376.53946	0.3
391.19244	7.4
391.24118	0.6
392.19559	1.0
407.18777	0.3
409.20230	100.0
410.20560	12.3
587.52264	0.3
767.30719	0.3
841.39038	4.7
842.39276	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	841.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98901	0.3
68.81589	0.3
69.33398	2.4
93.03446	0.8
95.78555	0.3
96.96031	1.0
107.05045	4.0
119.05036	0.5
121.03005	0.4
122.03751	0.9
122.21954	0.3
131.05072	0.3
133.02992	0.4
135.04543	9.2
135.08229	0.3
137.02444	0.6
137.99316	0.3
149.02435	0.9
157.06570	0.7
161.02448	0.7
169.06760	0.5
169.10211	0.4
171.08127	0.7
173.06117	1.2
175.07689	0.7
183.08144	0.6
195.08220	0.5
197.09718	0.6
201.05772	0.8
211.07701	2.4
212.08458	1.7
213.09247	3.2
214.09518	0.4
225.09235	19.7
226.09943	5.2
237.09221	4.0
238.09866	0.9
239.10825	0.5
247.11551	0.4
251.06996	0.5
253.08852	0.4
256.07455	3.4
263.07135	0.8
263.10770	0.9
263.14499	0.8
265.12396	2.0
269.08286	1.1
279.13855	0.7
281.08344	0.4
283.06177	0.5
287.14532	0.7
289.16129	0.9
291.10373	1.7
292.10995	0.9
305.11841	1.3
307.17062	8.9
308.17349	1.4
309.11313	0.5
311.05658	0.6
317.43857	0.4
323.12946	0.7
329.19376	0.7
345.18643	0.9
347.20224	10.4
348.20633	1.5
362.48718	0.4
365.21185	3.5
366.21445	0.4
373.18164	5.7
374.18646	0.7
391.14102	0.6
391.19199	9.8
392.19601	1.4
409.20248	100.0
410.20605	11.4
420.85968	0.4
431.09821	0.5
444.63077	0.3
487.60202	0.4
595.01770	0.4
841.39386	9.2
842.39966	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	839.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
61.98838	0.8
67.62865	0.3
69.03461	1.7
70.02179	1.4
71.01394	0.5
71.05023	1.5
79.72340	0.3
80.02692	0.4
81.03460	0.5
82.95415	0.4
83.05023	1.6
85.02958	0.4
85.06586	0.8
87.04497	0.8
89.02447	0.4
95.05027	0.7
96.96024	1.2
97.02961	5.7
97.06596	0.8
101.02346	0.4
109.06602	1.3
111.04525	0.6
111.08176	1.0
113.06059	0.4
119.08669	0.6
121.10358	0.4
123.08201	0.6
125.09734	1.3
127.07710	0.5
137.09691	1.6
146.07591	0.4
150.10590	0.4
163.11279	1.3
165.12877	3.3
167.10806	0.6
171.10284	4.3
179.10950	0.4
179.14462	1.8
181.12321	1.9
181.92702	0.3
183.13918	0.9
193.12355	1.8
193.16005	0.6
195.13905	6.0
197.11880	0.7
205.12401	0.6
209.11894	1.8
211.13400	1.6
221.15482	3.8
223.13364	2.8
227.12889	1.5
229.19637	0.8
235.17059	1.1
239.12733	0.5
239.16560	1.0
247.20569	2.7
248.20930	0.4
251.16573	0.5
253.09462	0.8
271.58261	0.4
273.18533	2.0
275.20261	0.6
281.21304	0.6
291.19693	33.4
292.20071	2.9
293.21252	2.4
309.20743	100.0
310.21097	9.0
545.49292	0.4
758.06561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17488	0.2
62.37723	0.2
71.55063	0.2
83.05032	2.0
83.05417	0.2
89.08300	0.2
91.05538	0.4
93.03462	0.3
93.92685	0.2
95.05051	0.4
96.96046	0.9
106.04248	0.4
107.05040	5.9
107.05726	0.3
107.82721	0.2
108.89693	0.2
119.05029	1.2
121.06651	0.5
122.03741	0.6
123.08218	1.0
124.22878	0.2
135.04535	14.2
136.05121	0.5
143.05074	0.5
149.02469	0.3
149.06129	0.7
157.06616	1.7
161.02516	0.3
169.06551	0.4
171.08217	1.2
173.02507	0.3
173.09795	0.8
175.07570	0.4
182.07416	0.4
183.08104	0.3
185.09760	0.3
189.09297	0.4
195.08191	0.4
197.09720	0.3
201.05730	0.3
204.11563	0.3
209.09724	0.7
211.07689	0.4
211.11316	0.6
212.08511	0.7
213.09238	3.9
214.09639	0.4
223.11336	0.3
225.09222	6.3
226.09999	6.7
227.10609	0.9
237.09309	0.7
239.10873	0.6
242.09312	0.2
247.11317	0.5
249.12917	0.4
251.14484	2.2
252.14743	0.2
261.12976	0.4
263.14389	1.3
264.14532	0.2
265.08762	2.2
265.11752	0.3
267.13980	0.3
275.14447	0.5
277.15994	2.8
279.13840	0.2
293.15527	0.2
295.17044	12.5
296.17444	0.9
311.05664	0.2
320.13995	0.3
321.14944	0.8
321.18665	2.2
322.18585	0.3
338.12903	0.2
347.20151	1.9
365.21204	8.9
366.21576	1.2
391.19174	37.9
392.19485	4.8
409.20224	100.0
410.20538	11.0
431.09958	0.4
431.16568	0.3
617.03320	0.2
841.39288	9.0
842.39575	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	839.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.03426	3.7
69.35292	11.1
71.01389	42.5
72.99304	1.9
73.02959	12.2
75.00903	1.2
81.03455	2.6
83.01395	11.4
85.02956	19.6
87.00877	5.4
89.02452	14.5
95.01405	5.2
96.95965	2.2
97.02953	5.5
99.00876	4.5
101.02464	26.3
109.24583	1.2
110.84106	1.2
111.00904	3.1
111.08163	1.2
112.01658	2.1
113.02462	25.7
119.03497	3.3
124.01620	1.4
125.02461	12.6
143.03532	6.8
149.50287	1.5
159.02870	1.9
161.04541	7.0
165.05592	1.5
213.18675	3.6
225.33838	1.4
315.09567	1.3
343.28720	1.5
343.93405	1.3
362.60037	1.3
375.23898	1.5
469.31592	2.6
487.32715	10.0
488.33023	1.9
501.47800	1.5
505.33737	5.5
631.37061	44.0
632.37231	7.1
649.38080	76.0
650.38275	14.0
667.39386	19.8
668.39270	3.9
691.39001	21.0
692.38898	4.9
709.40344	34.1
710.40186	6.0
751.41193	3.7
795.39862	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	839.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	49.9
68.99820	2.9
69.03466	1.2
69.21764	3.3
69.22196	3.3
71.01390	39.4
72.99300	2.9
73.02944	6.6
75.00477	1.1
75.00883	19.3
83.01389	6.3
84.02176	0.7
85.02965	33.6
87.00890	4.2
89.01933	1.1
89.02453	12.2
95.01389	6.7
96.96013	4.6
97.02926	1.7
99.00892	17.5
101.02457	7.1
111.00869	1.8
112.01659	2.2
113.02460	27.9
115.00328	1.3
124.01688	1.0
125.02470	3.8
133.01411	0.9
134.03754	0.8
143.03505	1.4
143.10875	0.9
157.01399	2.0
161.04590	1.9
193.05119	0.9
235.05841	0.9
313.30502	0.8
317.08417	0.9
343.28323	1.0
487.33060	3.8
505.34113	1.2
529.34546	1.0
613.36212	1.0
631.37103	11.1
632.37543	1.7
649.38025	16.9
650.37988	2.3
667.39465	5.0
691.39075	6.6
692.39423	1.6
709.40234	6.5
710.40601	2.0
751.41174	1.8
839.44434	100.0
840.44714	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.03465	2.4
71.01389	40.5
72.99326	3.1
73.02957	11.5
81.03469	3.0
83.01397	13.0
85.02962	24.6
87.00897	6.4
89.02457	6.8
94.13593	1.3
95.01398	6.7
96.96031	1.8
97.02958	6.5
99.00875	5.5
101.02460	22.2
111.00870	3.0
112.01675	3.7
113.01721	2.2
113.02460	27.0
119.03508	2.8
122.28720	1.2
124.01683	4.5
125.02464	13.1
133.18340	1.1
141.01926	1.3
143.03470	7.9
159.02986	2.6
161.04539	5.0
167.18077	1.4
175.86223	1.1
195.06644	1.5
343.28299	1.6
370.86398	1.2
375.23837	1.1
469.31577	3.6
487.32864	18.6
488.32379	1.9
505.34067	8.9
534.88361	1.2
595.35065	1.5
613.35413	1.3
631.37024	67.2
632.37244	13.4
649.38074	84.3
650.38354	12.8
667.39252	19.6
668.39160	4.2
691.39020	23.7
692.39325	4.0
709.40240	29.5
710.40619	6.4
751.41382	3.3
754.06885	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	839.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01708	1.6
68.51465	0.9
69.03459	3.4
69.42950	3.2
69.43372	4.6
71.01388	43.8
71.05038	1.3
71.48042	0.9
72.99328	2.5
73.02958	13.3
80.34752	0.9
81.03470	1.1
83.01391	13.3
84.63692	1.0
85.02958	26.8
87.00893	5.2
89.02444	7.1
95.01408	6.6
96.96037	2.6
97.02945	5.3
99.00920	6.1
101.02452	23.0
111.00899	4.2
113.02462	27.2
119.03517	1.8
124.01662	3.9
125.02457	11.8
134.03687	1.2
143.03554	5.2
143.10765	3.3
159.03033	2.3
160.01564	1.0
161.04565	6.3
175.03877	1.1
252.35139	1.1
271.26233	1.0
283.26364	1.2
313.27484	1.1
325.27829	1.4
343.28485	4.8
397.03677	1.0
469.31671	5.3
483.22809	1.4
487.32721	21.4
488.33160	3.9
505.34045	7.9
529.33820	1.6
547.35077	1.5
583.34711	1.2
595.35046	1.4
613.36017	1.9
631.37067	41.6
632.37531	7.0
649.38049	72.0
650.38403	15.0
667.39191	19.9
668.39557	4.0
670.94165	1.5
691.39050	22.0
692.39539	6.1
709.40228	33.3
710.40198	8.5
751.41290	4.3
752.41394	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	839.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	44.6
61.98838	1.0
67.01894	1.5
68.99805	1.6
69.03452	1.9
71.01389	34.2
71.55154	0.7
72.99319	7.6
73.02951	4.8
75.00468	1.3
75.00874	15.6
81.03471	0.9
83.01402	5.5
85.02954	27.4
86.00121	1.0
87.00883	8.2
89.02455	6.8
91.53418	0.6
93.03446	1.1
95.01405	6.2
96.96029	4.7
97.02950	1.5
98.95619	0.8
99.00889	10.1
101.02463	8.8
103.00390	1.4
111.00885	1.6
112.01692	1.5
113.02457	25.2
115.00390	2.0
116.92856	1.0
117.01943	2.2
119.03535	1.0
122.75457	0.7
125.02452	2.0
129.01965	1.6
131.03500	1.1
135.21536	0.7
143.03554	1.6
143.93159	0.6
150.03177	0.8
160.01749	0.6
161.04514	1.4
175.02493	2.4
175.03906	0.8
209.11800	1.0
213.18651	1.3
218.73953	0.7
222.98300	0.6
225.01065	0.8
249.06148	8.2
267.07205	6.7
270.06354	0.7
439.74304	0.7
469.31644	0.7
485.30884	0.8
487.32700	1.8
501.46753	0.8
545.33398	1.6
575.92047	0.7
631.36938	3.3
632.37335	0.8
649.37891	6.7
650.38635	1.4
658.09045	0.8
667.39435	1.9
691.39209	2.1
709.40302	3.3
710.40479	0.7
751.41010	0.9
753.38959	1.4
777.39148	1.7
795.40277	100.0
796.40533	24.7
839.34607	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	839.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.3
65.00362	0.6
71.01388	1.0
77.03951	0.6
83.12080	0.4
93.03471	0.4
96.96020	7.8
105.03455	0.7
107.01414	0.5
109.02934	1.9
119.05035	0.6
121.02935	1.8
125.02412	0.8
133.02966	12.6
135.04529	1.6
137.02484	0.7
147.04517	1.5
149.02437	1.8
161.02408	1.5
163.00372	1.8
163.04030	3.9
165.01900	1.8
173.02357	0.8
175.04015	3.6
177.01949	0.9
191.03528	2.7
193.01416	2.0
199.04002	1.3
201.01906	1.1
212.04797	0.5
213.05531	1.2
215.03629	0.7
225.05550	1.1
227.03476	0.7
229.05096	0.6
237.05542	0.4
240.04353	0.9
241.05132	1.1
243.12411	1.3
253.05040	1.6
255.03018	0.9
255.06671	0.6
257.04340	0.9
269.04544	1.7
281.04276	0.6
284.03299	9.4
285.04077	6.6
286.04306	0.5
297.04068	15.3
298.04782	9.1
299.05630	18.0
300.05994	1.5
309.04001	0.8
310.18820	0.5
311.05640	2.0
325.03705	0.8
327.05109	100.0
328.05487	8.9
329.06033	0.7
339.05014	2.8
341.06668	0.5
357.06183	25.3
358.06506	3.4
369.06232	2.6
391.16156	1.5
393.06152	1.0
411.07166	0.7
447.09351	93.9
448.09680	10.9
449.09802	0.7
554.27289	0.5
635.23456	0.6
805.53064	0.5
836.76031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	38.8
61.39989	0.4
66.06944	0.5
70.02990	6.0
71.01385	13.0
72.00900	2.4
72.04539	1.7
72.99319	0.9
73.02957	4.7
74.02478	47.4
75.00880	0.8
75.02797	0.7
81.03452	0.9
83.01396	2.7
85.02954	3.2
87.00898	2.0
89.02450	7.9
93.44104	0.4
95.01414	0.9
96.96024	1.1
98.02486	9.5
99.00874	0.9
99.04526	37.3
100.04831	0.7
101.02460	14.5
109.02974	0.5
111.00908	0.4
113.02455	6.3
115.00412	1.8
115.07659	4.8
116.02726	0.5
116.03554	10.8
116.05069	18.4
117.05409	0.9
119.03482	3.8
123.04562	0.7
125.02462	11.1
130.06633	1.5
131.03508	1.0
142.06633	4.2
143.03506	2.9
151.48790	0.5
153.09209	2.2
157.01466	1.0
157.07690	0.5
159.09293	4.5
161.04576	2.9
175.02475	3.3
176.02927	0.5
179.05620	1.0
180.04257	0.4
183.09315	0.9
186.05591	0.5
201.10292	3.2
202.02742	0.7
203.08272	43.1
204.08614	3.2
209.11775	0.4
221.06767	0.4
224.04788	0.7
243.16026	1.9
245.09312	77.2
246.09644	5.7
249.06204	0.7
298.12964	0.4
301.03079	0.4
327.05243	0.4
365.09058	1.1
365.14456	7.5
365.18582	0.4
387.20309	3.5
405.21350	4.4
447.22415	9.4
487.25278	2.5
505.12985	0.5
505.26559	2.4
549.25543	100.0
550.25830	16.0
769.49310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34891	0.1
61.98837	100.0
62.54647	0.1
64.60918	0.1
69.08253	0.1
69.30441	0.1
80.96542	0.4
174.33530	0.1
190.15649	0.1
190.46049	0.1
222.44728	0.1
229.08391	0.1
272.01514	0.1
277.21872	0.3
278.22058	0.3
279.22342	0.1
357.08090	0.2
586.30591	0.1
837.48724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	0.3
69.41617	0.9
69.42025	1.7
79.05543	0.7
88.35242	0.4
107.05029	2.8
121.02905	0.4
135.04549	1.9
135.05386	0.3
135.36600	0.3
149.02525	0.7
149.06087	1.5
154.23851	0.3
168.49031	0.3
173.06055	0.6
188.08487	1.2
203.07269	0.3
213.09265	0.4
225.09232	31.1
226.09811	5.1
237.09106	1.7
239.10776	2.6
240.11383	0.4
241.12381	1.6
265.12466	0.5
272.10590	0.8
279.13922	17.9
280.14233	1.6
283.80475	0.4
305.11923	0.5
323.12976	1.2
363.23315	38.2
364.23624	4.9
385.38086	0.4
407.22296	100.0
408.22632	14.1
455.67038	0.4
464.47934	0.4
677.05469	0.4
750.57941	0.4
837.43445	8.5
838.43384	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	837.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.5
60.05289	0.5
61.98827	1.2
69.03470	1.3
69.57186	1.9
69.57603	1.2
71.01385	5.9
71.05013	2.1
73.02952	1.3
83.05035	2.2
85.02961	2.8
85.06598	1.8
87.00902	0.9
87.04498	1.0
89.02454	6.0
95.01402	0.6
95.05045	0.6
96.96030	4.5
97.02984	1.5
97.06602	0.8
101.02460	5.5
101.06033	0.6
109.06602	3.1
111.04553	1.6
111.08177	0.9
113.02453	3.0
116.73657	0.5
117.04440	0.5
119.03535	0.9
125.02487	1.1
129.09229	0.5
133.37192	0.5
136.01706	0.7
142.60364	0.5
143.03458	0.7
149.08170	0.4
152.48734	0.5
156.53221	0.4
161.04558	1.8
164.01318	0.5
179.05617	0.7
179.14421	1.6
181.12350	0.7
195.13919	12.9
205.12337	0.8
217.15981	0.9
221.15492	8.8
222.15802	0.6
223.11626	0.7
223.13466	6.2
229.19525	0.7
235.08284	1.9
235.16840	0.7
239.16498	3.0
247.20685	2.0
251.16667	0.8
253.09312	22.2
254.09575	0.9
273.18665	1.6
281.21466	0.5
291.19687	29.9
292.20007	2.8
309.20749	100.0
310.21048	8.7
379.28522	6.1
380.28842	1.1
397.13611	7.8
407.18674	23.9
408.19128	3.1
415.14529	2.3
429.17242	0.7
445.58420	0.5
545.29736	3.1
601.41168	2.2
602.41327	0.5
837.51288	0.8
842.52710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
61.98864	0.7
63.46502	0.5
63.82497	0.5
70.91843	1.2
79.05543	0.5
80.96535	1.5
85.51169	0.5
96.96028	1.1
100.32318	0.6
107.05040	1.9
108.02209	1.0
114.67471	0.5
121.02972	1.2
123.00906	1.5
123.04569	1.6
130.04262	2.6
133.02994	1.3
136.01674	1.5
137.02478	1.0
139.00401	1.1
145.06621	2.7
147.00887	0.7
147.04558	1.8
148.01674	1.1
149.02448	2.8
151.00383	1.0
153.01996	1.4
156.05890	0.7
157.06610	2.7
158.03752	5.2
159.04512	1.1
161.02475	1.1
161.06075	0.9
163.04007	0.7
165.01968	2.0
166.02684	0.6
172.05334	2.2
173.06094	5.4
174.03209	0.6
175.00381	0.5
175.04022	5.8
175.07707	3.9
176.01134	0.7
177.01936	7.0
177.99258	0.7
188.04781	1.2
189.01929	0.6
189.05528	3.2
191.03529	2.3
192.04283	2.3
201.05588	2.6
203.03535	0.9
207.06638	0.6
215.03539	1.8
216.04456	0.7
217.05066	30.0
218.05545	2.0
227.07111	7.7
235.06105	3.4
240.07896	0.7
241.08717	2.2
243.06685	1.2
255.06781	0.9
257.08191	1.4
259.09787	3.4
317.08304	0.7
341.06775	0.9
349.07300	1.2
351.08859	0.7
367.08218	2.1
377.10541	0.9
379.08057	0.6
381.09683	1.6
382.10098	0.6
395.07663	9.7
396.08221	1.5
409.13184	15.5
410.09637	7.6
411.10510	1.2
425.12454	100.0
426.12769	12.7
518.71362	0.7
543.13000	2.1
545.14514	3.1
627.15186	3.4
773.22565	1.7
785.22058	0.6
803.23688	0.8
835.26184	27.5
835.40167	1.3
836.26532	8.5
836.41595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	12.6
63.27115	0.7
68.99821	17.0
69.42404	1.6
69.42820	3.9
69.43327	0.7
71.01385	2.2
80.05066	20.6
80.05514	1.5
85.11671	0.6
89.02490	0.7
91.05519	2.0
91.83361	0.7
104.05077	2.5
104.58273	0.8
106.06643	1.4
107.03788	1.6
108.02160	1.1
108.04567	1.4
118.06714	0.8
119.05074	0.7
122.06120	16.4
132.04564	100.0
133.04945	3.6
133.06606	1.0
134.06134	1.0
139.07619	0.9
144.04561	3.0
150.05615	26.2
151.05977	1.1
152.07178	50.3
153.07536	2.1
156.28160	0.7
161.06151	1.0
162.05673	0.9
163.04013	2.0
188.03598	1.1
201.27290	0.8
217.79274	0.7
223.06174	5.5
245.09300	1.6
245.13065	0.9
255.03093	1.5
270.06845	0.7
271.02484	2.0
273.12677	0.8
291.09473	0.7
297.12442	58.7
298.12744	4.6
300.02716	4.7
301.03589	1.5
315.13510	49.6
316.13745	4.8
327.29407	0.7
359.12482	38.1
360.12766	4.9
399.16498	1.2
505.80209	0.9
609.14600	7.6
610.15320	1.5
635.27466	0.9
826.67133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.6
61.98831	1.0
69.39994	2.5
69.40407	0.9
71.01385	1.0
71.31470	0.3
82.65295	0.4
84.75912	0.3
85.03056	0.3
89.02402	0.6
101.02456	1.5
113.02447	0.5
133.04947	0.4
161.04561	0.6
235.08240	1.8
253.09306	4.9
266.29904	0.4
275.19812	0.4
277.21738	100.0
278.19205	0.3
278.22083	9.0
279.30859	0.4
328.46997	0.4
495.15155	0.4
513.30792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.6
62.18471	0.5
63.82463	0.5
64.74604	0.6
64.97074	0.4
69.20181	5.6
71.01357	1.6
72.20502	0.6
73.02921	1.0
77.03984	0.5
83.01391	1.0
85.02937	1.2
89.02421	0.6
93.03466	13.2
96.96033	0.8
97.02937	0.8
101.02438	0.7
107.01381	1.2
108.53625	0.6
109.02953	2.9
113.02448	0.9
119.05020	0.7
121.02945	1.7
125.02406	1.3
127.36481	0.5
133.02963	11.7
134.03334	1.0
135.04546	1.3
137.02452	25.7
138.02777	1.1
147.04456	1.0
149.02434	1.7
149.99475	0.7
161.02461	1.4
161.04585	0.6
163.00334	1.4
163.04031	3.3
165.01924	2.0
175.03981	3.4
191.03456	1.6
193.01436	1.8
199.03979	2.2
201.01920	1.5
203.03575	0.7
211.04106	0.6
212.04726	0.8
213.05589	1.1
217.05040	0.7
227.07321	0.6
240.04407	0.7
241.05002	1.0
245.09361	0.8
249.06117	5.4
250.06485	0.7
253.05150	0.6
255.06631	0.7
269.04413	1.1
284.03284	8.8
285.04034	8.2
286.04224	0.8
297.04068	17.3
298.04791	9.5
299.05618	16.6
300.05869	1.6
309.04047	1.1
311.05591	2.7
325.03391	0.9
327.05103	100.0
328.05453	14.7
329.05740	1.7
339.04974	3.0
343.12994	1.2
357.01688	1.2
357.06161	25.1
358.06680	3.7
361.14111	1.2
369.06223	2.7
387.09299	7.3
388.09521	0.7
393.06039	1.2
411.07346	0.7
447.09344	91.0
448.09662	16.3
449.09628	3.3
461.61801	0.6
470.71420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	31.8
67.01405	1.3
69.92720	4.7
69.93130	2.7
71.01382	14.5
72.67463	1.3
72.99313	4.4
73.02950	2.8
85.02965	7.1
87.00870	2.3
89.02460	5.9
93.03497	1.8
95.01369	1.7
99.00890	2.7
101.02467	6.8
108.02188	55.5
109.02997	12.8
113.02451	6.2
117.03489	1.8
121.02974	3.2
134.03717	4.6
135.04521	3.1
137.02516	1.4
150.03233	3.3
151.03983	1.6
152.01166	100.0
153.01805	5.7
153.58980	1.3
161.02467	1.8
161.04657	1.7
163.03983	5.0
165.05551	2.0
175.03979	2.4
176.98872	1.5
179.03571	1.6
179.10730	6.1
191.03479	4.1
192.03755	1.5
193.05115	4.1
193.08679	3.0
195.05078	2.0
196.63019	1.6
223.09711	1.4
225.14861	1.7
259.42932	1.3
268.37546	1.5
269.14014	1.6
283.06042	4.4
311.05566	9.3
369.11780	1.7
413.32834	1.5
417.11771	2.1
429.10327	10.0
430.10458	1.4
431.10028	13.0
447.11438	6.9
609.22150	2.9
653.21008	6.3
833.27222	72.0
834.27399	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	833.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.6
65.00332	0.6
68.85957	0.5
69.77818	1.1
69.78222	1.8
71.01386	1.5
72.99310	1.8
73.02944	1.6
75.00878	0.6
79.01870	0.5
81.03481	0.5
83.01394	0.7
85.02946	1.1
87.00883	0.7
88.75629	0.4
89.02454	0.5
95.05055	0.5
95.21654	0.4
97.02953	1.0
97.06600	0.8
99.00871	0.6
101.02440	1.3
105.03432	1.1
109.02970	2.8
113.02460	0.8
117.03479	0.9
119.05045	1.6
119.80354	0.5
121.02974	4.3
122.03790	0.5
123.04518	0.6
125.02469	1.5
129.01985	0.9
133.02965	12.7
134.03799	2.4
135.04533	2.0
137.02397	0.6
145.02950	0.6
147.04529	2.1
149.02448	2.1
151.00409	0.8
151.03995	0.9
152.01219	0.6
160.36627	0.5
161.02446	1.5
161.04585	0.6
163.00349	2.2
163.04019	3.6
165.01958	1.9
165.09233	0.9
173.02441	0.6
175.03987	3.8
177.01990	1.4
179.03514	3.2
180.04234	1.0
191.03618	2.4
193.01442	1.8
193.05052	1.4
195.05019	1.1
199.04163	1.0
201.02023	1.3
203.03152	0.5
207.02997	0.8
209.06656	1.4
211.04073	0.7
213.05605	0.8
225.05551	0.8
237.05582	0.6
240.04312	0.7
241.10815	0.9
242.74500	0.5
243.02988	0.6
253.05077	0.6
255.03085	0.8
255.06754	0.7
256.03934	0.6
257.04575	0.7
269.04691	0.8
270.05698	0.5
271.06061	0.6
284.03296	9.5
285.04068	7.5
297.04053	14.7
298.04797	10.1
299.05609	17.4
300.05984	1.8
309.04037	0.7
311.05673	2.6
324.02713	0.5
325.03497	1.0
327.05115	100.0
328.05493	7.6
329.05746	0.6
339.05176	3.6
341.12424	0.9
357.06213	25.6
358.06659	3.0
361.14163	1.2
369.06281	2.8
385.11203	12.4
385.14944	1.4
386.11755	1.3
393.06195	1.5
447.09341	97.4
448.09708	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	832.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.9
63.24297	0.3
71.01382	2.2
71.55792	0.4
72.99323	0.4
73.02953	0.5
74.99098	8.7
75.00867	0.7
81.03437	0.4
85.02957	1.5
87.00883	0.4
87.84887	0.4
89.02457	0.9
93.03516	0.4
96.96014	3.1
97.06600	0.9
97.23222	0.4
99.02750	44.6
99.04519	12.3
100.03072	1.1
101.02451	0.8
101.84931	0.4
108.02201	0.8
113.02470	0.8
113.04328	1.7
114.05625	0.5
119.05035	1.2
121.03024	0.5
122.03748	1.4
123.04488	0.4
125.02476	0.6
131.95906	0.3
134.03793	0.5
137.02446	0.6
139.05922	0.6
139.07668	1.5
141.03801	1.8
145.03047	0.5
149.02461	0.8
150.03226	3.1
153.01929	0.4
155.05376	10.5
161.04639	0.4
161.13300	0.3
163.04048	0.4
165.02022	0.8
165.05569	3.0
171.08173	0.8
175.04021	0.8
180.04323	0.6
181.05087	0.5
181.06918	0.9
190.06383	0.4
193.05040	0.6
195.05075	0.4
195.06673	1.6
205.12305	2.1
213.09193	9.7
214.09578	0.6
239.11119	100.0
240.11427	6.7
285.03906	0.5
299.05643	0.6
300.02768	0.4
326.14301	4.1
356.78867	0.4
359.14969	1.0
368.15359	24.3
369.15942	2.3
419.13406	6.7
420.14114	1.5
536.20251	0.8
537.21149	1.9
537.32581	0.7
585.23456	1.6
598.70111	0.3
725.80377	0.4
788.15271	0.4
832.32745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.9832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	50.4
60.01724	0.7
68.03281	0.4
69.16113	4.1
76.62606	0.4
90.97138	1.3
92.66784	0.4
108.41155	0.4
109.93903	0.4
117.31580	0.4
118.96616	0.4
132.98175	1.7
174.99255	25.9
175.99649	0.9
192.95848	1.7
201.02496	2.1
217.00305	100.0
218.00644	2.8
350.94818	0.6
359.01556	3.9
366.77365	0.4
374.99228	56.8
375.99561	3.3
453.45166	0.5
517.00568	2.6
532.98212	26.6
533.98364	2.0
674.99396	0.9
690.97253	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	831.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.8
59.01384	27.0
63.02402	1.2
67.46837	0.6
68.37208	0.6
69.34829	4.6
69.92485	0.5
71.01386	13.3
72.99336	1.6
73.02956	0.8
81.03461	2.1
83.01403	1.8
85.02964	4.0
87.00883	1.2
89.02442	6.6
91.01894	10.1
93.03482	0.8
93.91984	0.6
95.01398	1.3
95.05024	0.6
96.96017	2.3
98.20673	1.3
101.02447	5.0
108.02209	1.0
108.75425	0.7
109.02969	0.7
112.56160	0.5
113.02468	5.1
114.96537	0.6
119.03473	2.0
122.02911	1.1
122.03747	13.5
125.02438	1.3
137.02429	1.6
150.03235	0.7
160.95261	0.6
161.04549	0.7
161.13356	2.5
169.06589	6.6
169.10168	1.6
171.08186	7.1
187.11263	3.6
195.08090	1.7
205.12407	1.3
211.07620	2.3
212.08374	0.6
212.11319	0.7
213.09221	100.0
214.09564	6.3
237.09251	0.7
239.07140	30.2
240.07475	1.7
257.08221	12.7
258.08655	1.1
269.04391	0.9
282.05289	1.1
283.06238	1.0
284.06833	1.3
297.07629	1.2
299.09271	1.6
349.16257	1.0
419.13669	1.1
607.25555	4.1
651.24615	3.5
652.25476	0.8
669.25232	0.8
682.36481	0.8
787.32263	1.0
831.30847	81.2
832.31158	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	831.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	1.0
59.01384	24.4
61.98839	1.0
63.02404	2.0
69.54988	2.1
69.55398	2.3
71.01391	15.1
72.99306	1.8
73.02965	2.0
81.03472	2.0
83.01387	1.7
85.02959	4.7
87.00861	0.6
89.02449	8.2
91.01908	12.3
93.03461	0.8
95.01400	1.8
96.96028	3.8
99.00877	1.3
101.02442	5.5
108.02184	1.5
111.04495	0.8
113.02445	4.6
119.03518	1.6
122.03745	14.0
125.02447	1.1
135.04601	1.1
137.02486	1.3
161.04572	0.7
161.13397	2.1
167.03473	0.9
169.06592	9.0
169.10271	2.4
170.07036	1.0
171.08180	7.4
179.05688	1.1
187.11298	4.6
195.08142	2.6
205.12363	2.6
211.07710	1.8
213.09227	100.0
214.09615	7.0
229.52730	0.7
239.07150	32.0
240.07440	3.9
255.10504	0.8
257.08215	19.5
258.08612	1.2
268.03787	3.5
269.04297	1.4
283.06091	8.8
284.06345	1.1
299.06027	0.8
312.06830	0.8
325.06967	0.8
349.16498	0.9
375.14160	0.9
375.47839	0.9
419.13293	1.1
607.25568	13.6
608.25824	2.5
651.24628	9.7
652.24963	1.7
787.31653	6.3
788.32251	1.8
831.30823	49.3
832.31006	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	831.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
59.21970	0.4
63.02431	0.4
65.00330	1.1
71.00335	0.8
71.01381	1.4
83.01396	1.2
89.02465	1.1
96.96010	1.6
97.98970	0.4
101.02462	1.2
107.01387	2.1
113.02428	0.7
133.02983	11.2
135.04395	0.4
137.02411	0.4
149.02426	2.3
151.00375	5.2
169.06805	0.4
171.04552	0.5
175.03990	2.5
181.68379	0.4
195.04582	1.1
199.03943	2.2
201.02008	0.8
209.06082	1.0
211.04047	0.9
213.05501	0.6
215.03632	0.6
217.05096	1.4
223.04126	0.5
239.03532	6.9
240.03908	0.8
241.05087	1.0
243.02997	0.6
254.05890	4.4
255.03079	1.1
255.06136	0.7
267.03055	1.9
282.05389	20.9
283.02774	0.7
283.05719	1.9
285.04077	100.0
286.04379	6.4
297.07703	35.0
298.08011	3.5
317.31213	0.4
561.08893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01718	1.3
71.01391	29.4
72.99343	1.0
73.02953	36.8
77.54554	0.8
81.03465	1.3
83.01398	12.8
85.02951	4.8
87.00877	1.4
89.02448	12.7
95.01386	2.1
96.96044	1.2
97.02963	1.0
98.20674	2.1
100.57916	0.8
101.02453	41.4
102.02788	1.6
113.02471	15.5
118.55257	0.9
119.03513	8.7
121.02953	1.5
130.97110	0.9
131.03497	4.1
135.04552	1.4
143.03490	4.6
147.04504	1.5
148.05319	92.7
149.04561	6.9
149.05663	4.0
150.03247	1.4
151.00369	1.4
161.04573	17.3
163.07664	88.5
164.08012	4.1
179.05612	2.0
190.02618	0.9
203.05611	1.7
210.01958	0.9
221.06635	5.3
281.04694	0.9
313.16739	2.2
331.17722	5.9
373.18713	9.5
422.82867	0.9
689.98846	1.0
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
59.01389	16.3
66.81894	1.2
71.01382	14.3
71.55054	1.1
72.99315	2.7
73.02937	2.4
75.00885	10.1
83.01410	2.0
84.12401	1.1
84.18820	1.1
84.52319	1.2
85.02962	12.8
87.00883	5.2
89.02452	5.1
89.04001	1.2
94.91296	1.3
95.01400	2.1
96.95966	1.8
99.00908	5.5
101.02455	2.5
113.02465	17.3
115.00355	1.4
117.01947	2.1
117.03477	3.7
127.25286	1.1
129.01958	1.7
133.03006	2.4
134.03743	31.1
135.04420	2.0
146.03688	5.4
149.06097	3.1
160.01680	1.9
160.15022	1.1
161.02380	2.5
161.06096	2.9
164.04721	1.3
165.01903	2.8
170.22350	1.1
175.02606	1.7
175.04028	4.2
179.05746	1.7
179.07141	8.4
180.04247	3.4
193.03349	1.9
193.05083	22.4
194.05498	1.4
195.05087	1.4
195.06638	4.1
197.99959	1.2
209.90167	1.2
249.06204	10.1
267.07181	36.1
268.07639	2.1
272.44031	1.2
357.82953	1.1
389.01508	1.2
389.18002	1.2
443.11938	100.0
444.12311	10.9
691.67554	1.4
829.22852	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	829.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.9
62.39457	0.7
69.25439	7.9
71.01382	3.0
82.06224	0.9
87.00858	1.2
89.45248	0.7
107.01360	1.2
108.02153	1.5
109.02985	4.4
121.02928	1.4
133.02934	2.1
137.01515	1.1
137.02472	10.6
148.01741	1.1
149.02467	1.0
151.00385	7.2
152.01068	0.9
161.02484	4.0
163.00435	1.4
178.99829	4.1
179.03510	14.2
180.04239	1.2
191.03452	2.4
192.03882	1.1
193.05075	1.4
195.05063	1.0
203.16367	0.9
219.06612	1.3
226.02744	1.3
227.03410	1.0
243.00819	1.0
243.02913	5.7
254.02058	0.9
255.03035	14.6
256.03427	1.2
259.09756	1.2
271.02518	33.9
271.05469	1.7
272.02979	2.5
277.10898	4.1
300.02795	66.7
301.03491	32.4
302.03976	2.0
365.08807	17.9
366.09167	1.5
463.08850	100.0
464.09128	14.0
476.31833	1.0
804.38635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.7
67.66212	0.3
71.01387	2.0
71.54377	0.3
73.02953	0.8
75.00897	0.7
83.01400	0.3
83.75574	0.2
85.02968	1.0
88.98822	1.1
89.02439	0.6
93.03466	0.4
96.96023	0.3
101.02444	1.2
113.02460	1.0
117.36346	0.2
119.05017	0.4
121.02940	0.3
129.01918	0.2
134.03685	1.2
135.04556	1.6
137.02464	0.4
145.02956	1.4
146.03752	44.8
146.47247	0.3
147.04080	2.3
149.04671	0.3
149.05951	0.5
161.06094	14.8
162.06467	0.8
163.04008	1.2
164.04808	30.7
165.05182	1.4
177.05438	0.3
178.02730	0.6
179.07152	100.0
180.07509	4.5
193.05057	2.5
194.05142	0.3
195.05109	1.0
195.06676	0.3
222.06769	0.2
269.10367	0.8
271.09348	0.2
293.09402	0.2
359.51910	0.3
383.07742	0.4
387.16699	1.9
401.14548	3.5
402.14771	0.3
611.97864	0.3
829.23804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.4
59.01384	100.0
60.01718	1.3
69.03462	1.8
69.56875	2.9
69.57307	1.8
71.01389	37.3
72.01727	0.8
72.99337	1.3
73.02954	54.9
74.02489	2.2
74.03303	0.6
75.00890	1.5
82.50870	0.6
83.01395	15.7
83.05028	3.7
85.02948	3.5
87.00867	1.6
89.02460	8.7
95.01431	1.4
96.90654	0.6
96.96026	0.9
97.02970	0.8
99.00926	0.8
101.02451	50.6
102.02806	0.9
113.02459	13.1
113.03177	1.1
119.03529	5.8
122.38375	0.6
125.02470	1.8
131.03514	5.2
134.03764	0.7
143.03519	4.1
149.04573	12.2
152.00835	0.6
155.03490	0.9
161.04573	21.7
162.04884	0.6
166.02690	0.7
179.10829	1.2
203.05708	2.7
203.08342	1.1
221.06642	7.7
221.08432	0.7
245.09366	4.5
269.10287	1.7
311.11542	0.8
327.05249	1.0
399.44843	0.6
417.15866	2.0
447.09225	1.0
453.85831	0.7
502.12030	0.8
524.21045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	24.9
61.98838	1.6
65.92725	0.5
67.01868	0.7
68.99829	1.1
69.03448	1.8
69.41955	4.9
71.01012	1.2
71.01389	22.4
71.01785	1.3
72.99318	5.2
73.02961	3.0
75.00880	14.8
79.36620	0.6
80.73798	0.6
83.01385	1.6
85.02959	21.2
87.00879	6.6
89.02463	3.1
93.03427	1.1
95.01389	5.2
96.96026	4.1
97.02944	1.1
99.00892	7.9
101.02454	2.4
103.00375	1.5
111.00893	1.1
113.02457	15.8
115.00399	1.4
117.01923	1.8
118.05346	0.7
124.01665	0.8
125.02467	1.3
149.36890	0.6
157.01421	1.1
175.02455	0.8
205.07275	0.9
205.14732	0.6
249.06230	6.2
267.07187	2.1
273.00015	0.7
281.28485	1.5
327.29062	12.3
328.29202	1.3
386.29916	0.6
471.33170	6.1
472.33130	0.8
489.34390	17.7
490.34613	3.3
531.35773	2.5
739.41663	1.1
763.40692	1.3
781.42291	100.0
782.42676	23.1
799.31708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	42.3
64.56848	12.7
65.07662	13.0
69.25040	100.0
69.25452	36.7
118.95740	13.1
174.17390	13.2
228.77020	21.1
662.81171	19.0
825.41846	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	827.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	3.8
59.01376	2.5
70.02980	3.2
71.01383	1.7
72.04541	0.8
74.02480	19.9
78.54381	0.6
85.02959	1.0
89.02462	0.9
98.02493	5.0
98.68224	0.7
101.02479	0.6
101.77705	0.5
109.02954	1.1
116.03560	5.0
116.05064	7.1
121.02984	0.7
123.00914	0.8
125.02451	0.6
131.05092	0.6
137.02449	6.3
142.06647	1.6
144.11867	0.6
151.00368	11.1
152.01105	1.1
152.04808	1.8
159.09232	1.6
166.02727	39.3
167.03282	2.3
175.03967	0.7
177.01923	2.3
181.05077	60.7
182.05486	3.2
184.03827	0.8
192.04309	1.2
201.10344	1.6
203.08278	20.6
204.08614	0.8
205.05092	0.8
205.08655	0.7
207.06616	1.5
219.06712	0.6
245.09326	52.7
246.09633	2.8
359.11682	0.8
387.10840	8.7
388.11215	0.7
402.13116	7.7
417.15567	100.0
418.15939	13.3
433.24677	0.8
561.19971	0.9
609.14569	0.6
826.45605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47816	0.8
59.01385	100.0
61.98845	2.2
68.99844	0.8
69.03462	2.7
69.55513	0.7
70.02425	3.6
71.01390	29.1
72.99315	1.9
73.02947	8.3
78.96935	0.7
81.03490	2.1
83.01407	6.1
85.02956	16.6
87.00888	3.4
89.02460	5.5
95.01419	3.4
96.96023	4.3
97.02964	4.4
99.00892	3.6
101.02456	19.2
111.00897	2.2
112.01678	2.4
112.73843	0.8
113.02464	16.0
119.03503	1.7
124.01658	3.4
125.02470	14.7
129.01884	0.9
143.03516	6.0
159.03040	1.2
161.04543	2.2
283.26483	2.5
329.30649	3.6
371.31888	0.9
473.34897	6.6
474.34872	1.0
491.35788	6.5
492.36243	0.9
544.81824	0.8
569.36823	1.4
581.36743	1.7
599.38135	2.5
600.38861	1.1
617.39032	30.7
618.39313	6.2
635.40112	63.3
636.40460	12.1
653.41284	20.0
654.41486	2.9
677.41162	15.3
678.41644	3.6
695.42224	23.0
696.42560	7.0
737.43420	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	825.314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98823	4.0
71.50938	1.8
96.96030	4.1
116.92883	8.3
120.02799	1.0
134.88425	1.0
135.04564	1.7
153.86955	1.1
162.54648	0.9
187.07646	1.1
207.10324	5.3
225.09166	1.5
237.09305	2.6
238.10115	1.1
241.12337	3.1
252.08041	1.4
253.12265	2.4
285.07715	1.2
293.15521	3.7
309.11407	1.2
309.14813	2.2
311.16461	7.8
312.16727	1.0
325.14661	1.5
351.12494	1.4
355.15549	30.3
356.15936	2.9
395.11334	5.3
409.13190	2.0
461.58200	1.0
655.30872	1.1
789.86273	1.1
825.37714	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	825.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	5.0
81.03473	0.4
93.03479	0.7
95.05058	0.4
100.27385	0.4
106.04254	0.3
107.05042	6.2
107.05728	0.4
119.05070	1.2
121.03004	0.9
122.03780	0.8
134.03780	0.6
135.04538	14.8
136.05220	0.6
137.02490	0.6
143.05040	0.4
147.04562	0.6
148.05307	2.0
149.02452	1.1
149.06059	0.4
157.06645	1.3
159.08148	1.4
161.02434	0.7
163.04155	0.5
171.08180	1.2
173.06133	1.1
175.11292	0.7
177.12878	1.4
181.10220	0.4
185.09790	0.4
187.07530	0.3
189.09267	1.4
195.08176	0.7
195.11841	1.1
197.09737	0.4
199.14864	0.4
211.07639	0.4
213.09247	3.3
214.09421	0.4
215.07137	1.2
223.07849	0.4
225.09225	20.9
226.09967	8.4
227.10786	4.1
237.09224	3.7
238.09930	1.5
239.10788	21.1
240.11136	1.7
247.11308	0.5
251.07201	0.9
253.08603	0.4
261.12857	3.1
262.13464	0.4
263.10825	1.2
265.08835	0.8
265.12366	1.4
269.08167	2.5
277.09460	0.3
277.12259	1.5
279.13776	0.5
283.05872	0.4
296.10504	0.3
305.11792	0.7
305.19153	4.9
306.19263	0.6
311.05490	0.7
329.19229	0.7
331.20657	2.8
332.21048	0.5
345.18622	1.3
347.20181	13.6
348.20401	1.8
349.21738	20.6
350.22055	2.7
365.21237	1.8
375.19662	32.2
376.20068	3.7
393.20737	100.0
394.15811	0.5
394.21063	13.2
409.20227	75.0
410.20544	9.8
413.10486	0.3
431.09827	0.6
461.86475	0.4
782.42206	0.4
825.39685	15.7
826.40417	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	825.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98834	7.9
64.95285	1.5
69.03458	4.1
71.01389	37.9
71.54941	1.6
71.55329	1.9
72.99305	3.9
73.02950	8.0
75.00869	2.5
83.01395	5.6
85.02974	18.4
87.00876	4.4
89.02442	8.1
95.01397	5.4
96.96024	12.6
97.02959	5.0
99.00893	3.8
101.02461	18.6
111.00845	2.1
113.02451	22.8
115.04001	2.1
119.03465	1.8
124.01673	4.4
125.02460	16.4
141.01988	1.8
143.03503	7.0
146.75273	1.8
159.02963	1.9
161.04518	3.9
260.18329	1.6
283.05966	2.0
329.30603	2.8
341.23306	2.2
384.80408	1.8
473.34836	6.7
491.36102	5.0
569.36401	2.1
617.39087	33.0
618.39526	5.7
635.40161	63.8
636.40765	8.9
653.41187	23.9
654.42163	3.2
677.41309	16.4
678.41705	3.8
695.42285	23.9
696.42450	5.6
787.59863	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	823.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33800	7.4
59.01395	35.9
61.98822	32.8
65.51111	8.9
69.40259	46.7
71.01393	27.0
73.02955	15.5
79.05447	7.2
81.60045	8.3
85.02959	18.4
89.02448	12.5
96.96015	39.1
97.91386	7.7
113.02457	16.3
120.42503	8.8
129.08871	6.8
143.03604	8.8
175.07672	15.3
209.11882	100.0
227.12834	20.6
235.08159	8.2
238.02103	7.5
253.09372	21.5
291.19601	13.4
309.20804	74.8
310.21078	11.3
352.17731	7.3
445.20502	13.5
670.74164	9.1
754.92145	9.9
779.40924	17.7
823.42365	42.1
824.41840	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	825.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.2
59.01385	31.4
60.01723	0.4
64.08645	0.4
69.39944	0.9
69.40366	1.8
71.01389	20.0
72.01749	0.5
72.99310	1.5
73.02956	0.4
79.95753	0.3
83.01387	1.6
85.02966	3.5
87.00876	1.3
89.02452	25.4
92.63033	0.4
95.01390	1.5
96.96022	19.9
97.02962	0.5
99.00898	0.5
101.02450	14.3
109.02946	1.3
113.02460	9.1
119.03515	10.1
125.02465	0.9
131.03496	0.9
135.04533	1.3
141.84972	0.4
143.03580	0.6
143.07124	0.4
147.04526	1.8
148.05339	0.9
149.04648	0.8
149.06065	3.3
159.04526	0.4
161.02451	0.7
161.04602	0.7
161.06137	1.4
163.04056	0.9
171.04497	0.4
173.06070	0.8
174.03183	0.5
175.04048	2.1
176.04741	0.8
177.01904	0.5
179.05637	0.9
184.06097	0.6
189.05615	3.3
191.03426	0.6
191.07144	1.4
193.05045	0.8
205.05014	0.8
217.05086	3.7
219.02983	1.2
235.06091	1.9
237.04059	1.6
277.07294	0.4
279.05118	1.5
295.08188	1.1
323.13480	100.0
324.13855	7.6
339.07202	19.0
339.11374	0.9
340.07571	1.4
373.80878	0.4
427.55045	0.4
487.40070	0.5
501.12457	9.0
502.12958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	0.5
59.01386	7.7
62.95207	0.4
69.57859	2.7
70.23054	0.4
71.01374	0.6
74.99916	0.4
77.03952	1.4
79.01897	0.8
89.02398	0.4
93.03465	1.1
105.03452	0.9
107.08207	0.5
117.02662	0.6
117.03471	8.2
117.04791	0.4
118.03748	0.5
119.05087	1.1
121.02962	2.4
135.04509	1.9
149.02426	1.8
159.04536	2.1
161.02458	3.0
163.04007	3.7
165.01857	0.7
173.02394	0.6
191.03473	1.5
197.06023	1.0
203.03479	0.8
209.06062	0.5
211.07704	0.6
215.06992	0.6
224.04752	0.7
239.07108	1.4
268.03909	2.2
269.04422	2.5
281.04358	2.4
282.05319	1.6
283.06125	41.4
284.06528	4.6
293.04648	2.6
295.06201	1.4
311.05612	77.7
312.06003	6.7
314.04379	0.4
323.05655	3.2
334.02744	0.5
341.06610	6.7
342.06921	0.7
378.02347	0.4
395.58484	0.5
431.09830	100.0
432.10175	12.9
433.10770	0.6
786.40063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98823	4.0
71.50938	1.8
96.96030	4.1
116.92883	8.3
120.02799	1.0
134.88425	1.0
135.04564	1.7
153.86955	1.1
162.54648	0.9
187.07646	1.1
207.10324	5.3
225.09166	1.5
237.09305	2.6
238.10115	1.1
241.12337	3.1
252.08041	1.4
253.12265	2.4
285.07715	1.2
293.15521	3.7
309.11407	1.2
309.14813	2.2
311.16461	7.8
312.16727	1.0
325.14661	1.5
351.12494	1.4
355.15549	30.3
356.15936	2.9
395.11334	5.3
409.13190	2.0
461.58200	1.0
655.30872	1.1
789.86273	1.1
825.37714	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	823.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.2
58.71617	1.1
59.01386	100.0
60.01907	1.0
61.98819	3.2
69.03453	2.2
69.51301	6.0
71.01389	40.5
72.99316	2.8
73.02953	12.0
75.00875	6.7
76.24875	1.1
79.76798	1.1
83.01409	9.6
85.02959	26.9
86.00113	1.5
87.00899	5.1
89.02456	5.2
95.01398	4.6
96.96010	3.7
97.02944	4.2
97.06580	1.2
98.19926	2.2
99.00898	6.7
101.02455	22.1
111.00898	2.8
112.01649	1.1
113.02464	22.6
115.31223	1.0
119.03558	1.4
124.01669	3.1
125.02462	7.9
129.01930	1.7
141.01875	1.2
143.03557	4.9
159.03024	3.0
161.04559	4.7
194.08041	1.0
201.69992	1.0
209.11746	1.2
211.48431	1.1
227.12857	1.6
297.27930	1.8
327.29153	2.5
453.32266	2.8
471.33307	14.6
472.33270	2.3
489.34335	7.1
489.40228	1.2
521.51782	1.1
597.36420	2.0
615.37622	27.1
616.38092	5.0
633.38605	65.3
634.38818	9.8
645.95850	1.3
651.39600	16.4
652.40070	3.9
675.39777	13.8
676.39673	3.2
693.40710	23.3
694.40955	4.2
735.41968	2.3
774.62036	1.2
823.44965	13.0
824.45178	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	823.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	1.3
59.01385	100.0
59.78315	1.0
60.01730	1.4
61.98826	4.1
67.96668	1.0
69.03465	2.6
69.83904	2.8
69.84320	2.7
71.01388	49.3
71.05030	1.8
72.99317	2.7
73.02956	12.5
73.88571	0.9
75.00867	2.3
77.71300	1.0
83.01409	9.0
85.02964	26.5
86.00052	1.3
86.03303	1.5
87.00875	4.2
89.02459	9.7
95.01396	6.3
96.96044	5.7
97.02979	5.7
99.00891	6.2
99.04536	1.2
101.02450	26.3
111.00874	2.7
113.02457	27.7
119.03516	2.4
124.01649	4.5
125.02480	12.6
127.11234	2.0
141.01712	1.1
143.03543	6.3
159.02968	3.4
161.04575	9.8
309.28085	1.2
327.28976	2.1
453.32346	3.2
471.33362	15.9
472.33588	2.2
489.34418	8.7
490.34952	1.2
513.34204	1.1
541.33655	1.7
579.35254	2.1
597.36761	2.4
615.37567	29.9
616.37830	6.5
633.38568	70.7
634.38892	13.7
651.29132	1.7
651.39655	24.9
652.39856	4.0
675.39691	15.3
676.40204	3.0
693.40625	25.8
694.40979	5.4
735.41718	3.1
823.44562	4.4
824.45465	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	819.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01911	1.0
70.56694	0.6
70.57050	1.1
79.05549	0.6
92.99848	0.5
96.05196	0.3
107.05022	2.0
119.05021	0.4
121.02957	0.8
123.04565	1.3
130.04250	3.2
131.05058	0.4
133.02937	0.3
139.00389	0.7
145.06599	3.1
147.04558	1.1
148.01714	0.8
149.02490	0.5
153.01958	1.6
156.05849	0.9
157.06567	2.5
158.03741	5.8
159.04453	1.2
161.02495	2.0
161.06093	0.6
171.04510	0.5
172.05283	2.4
173.06078	4.9
174.03278	0.6
175.04018	1.1
175.07648	5.0
177.01982	1.0
187.04080	0.7
188.04865	0.6
189.05537	1.7
197.05998	0.4
199.04030	0.6
201.05618	2.1
203.03572	1.2
204.04222	0.4
205.48676	0.4
211.07721	0.5
215.07253	0.6
216.04182	0.7
217.05064	31.9
218.05463	1.6
227.07159	7.3
228.07637	0.5
235.06097	4.6
236.06587	0.5
240.07959	1.4
241.08768	1.6
243.06602	2.9
255.06737	1.1
257.08215	1.9
259.09784	4.2
259.17114	0.4
260.09967	0.4
281.08109	0.5
283.06094	0.3
285.15036	0.7
317.07898	0.4
325.07358	0.8
335.09174	0.6
349.07138	0.9
351.08905	1.2
364.09482	0.5
365.10266	1.0
377.10229	0.7
379.08234	9.2
380.08530	1.1
381.13562	0.5
391.19110	1.2
393.09793	1.6
394.10562	7.0
395.10922	0.9
409.12933	100.0
409.19571	2.9
410.13315	12.0
497.12643	0.8
527.13544	1.0
529.15039	2.3
579.13281	0.5
611.15729	2.9
612.16309	0.6
757.22870	1.5
787.23590	0.5
819.26581	17.7
820.27002	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	819.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	9.2
67.01890	4.7
67.46574	1.2
69.47359	4.5
69.47781	4.5
80.96527	2.4
92.57639	1.4
93.03387	1.4
96.96027	5.4
105.84744	1.2
107.05010	4.1
119.68575	1.1
135.04564	6.0
145.14600	1.3
148.05203	1.3
149.02483	1.3
197.14954	1.3
200.90791	1.4
207.30386	1.2
211.07559	2.2
213.09172	2.2
225.09230	13.6
226.09856	5.6
237.09259	3.4
238.10097	1.6
239.10834	16.4
265.12323	1.9
269.08258	1.6
283.09793	2.2
291.10193	1.9
307.17010	4.9
347.20093	9.4
365.21292	3.6
373.17999	4.0
391.19296	10.8
409.20233	100.0
410.20605	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	821.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
58.00613	0.3
58.02970	0.4
59.01386	100.0
60.01723	1.0
69.03483	0.6
71.01390	11.7
71.54668	0.5
72.99323	1.0
73.02955	7.8
75.00903	0.6
75.36766	0.3
75.92901	0.3
83.01403	2.4
85.02231	0.3
85.02962	4.0
87.00887	0.8
89.02454	4.9
95.01419	0.7
96.96027	3.3
97.02996	0.5
99.00906	0.8
101.02459	9.9
102.02804	0.4
113.02460	5.0
119.03477	1.6
125.02511	0.7
129.02010	0.3
131.03542	1.1
139.00360	0.4
143.03557	1.3
149.04597	1.3
151.00398	0.7
159.03044	0.3
161.04565	4.7
165.02022	0.9
166.02759	0.3
166.83267	0.3
167.03470	0.4
175.04015	0.5
179.05623	0.5
180.04294	0.7
181.05119	0.7
195.06686	0.7
203.03546	0.4
203.05371	0.3
209.08463	0.3
221.06741	1.0
303.14627	0.4
369.19333	0.7
387.20282	5.9
388.20660	0.6
429.21301	8.5
430.21942	1.2
452.25681	0.3
659.23615	2.2
660.24304	0.6
821.26697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.3
59.01384	100.0
61.98840	2.1
65.74359	0.5
68.99845	0.5
69.03474	1.4
71.01389	36.9
71.55086	0.6
72.99313	1.2
73.02946	9.4
75.00906	0.8
83.01391	4.7
85.02955	15.0
86.00100	0.6
87.00869	3.7
89.02453	15.5
89.39560	0.5
93.03453	0.7
93.09656	0.5
95.01411	4.2
96.96010	4.8
97.02972	2.4
99.00902	2.5
99.04572	0.8
101.02451	19.2
108.85401	0.5
111.00898	0.8
113.02456	28.4
114.02818	0.7
116.92889	2.2
119.03515	5.0
124.01710	1.9
125.02465	6.0
131.03551	1.0
136.42914	0.5
137.02493	0.5
139.00525	0.5
143.03491	3.6
149.02385	0.7
149.04623	1.3
152.24919	0.6
160.01674	0.9
161.04559	7.8
175.04095	0.7
179.05614	2.0
193.05154	0.8
237.07729	1.4
272.08679	0.6
313.07974	0.6
375.23743	0.6
453.32501	0.8
471.33472	6.8
472.33975	0.7
489.34845	1.1
597.36505	1.0
615.37573	14.0
616.38239	2.1
617.37415	0.9
633.38586	41.1
634.39044	8.8
639.37732	0.8
647.34576	0.7
651.39563	13.4
652.40320	2.2
675.39484	9.2
675.50134	0.8
676.40027	1.5
693.40698	16.4
693.52039	1.0
694.41174	3.6
735.42200	1.9
779.42291	1.0
823.41223	1.9
845.89819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98539	0.2
71.55268	0.2
77.99589	0.2
80.91110	0.1
80.96528	0.3
86.73125	0.2
91.18622	0.1
94.44525	0.1
119.05061	0.3
170.89050	0.1
180.72217	0.1
209.11943	0.2
210.12193	0.3
277.21820	0.2
278.22272	0.2
337.86334	0.1
373.17981	0.1
375.19879	0.6
391.19275	0.4
409.20233	0.9
427.21637	0.3
725.78247	0.2
819.42706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.3
69.43636	0.5
71.01399	3.7
71.54814	0.9
72.99326	1.9
73.02955	1.9
73.54373	0.5
75.00880	1.1
81.03459	1.1
82.77003	0.5
83.01395	1.3
85.02951	3.2
87.00889	1.7
89.02457	1.5
93.03461	1.8
95.01409	1.5
96.68916	0.6
96.96022	2.1
97.02948	0.9
99.00882	1.4
99.75784	0.6
101.02456	2.4
106.27932	0.6
107.01423	0.9
107.05049	0.8
108.02184	63.3
108.79794	0.6
109.02996	12.7
113.02470	1.9
117.03477	0.8
119.05055	1.2
121.02978	4.1
122.03805	1.7
123.00923	1.2
123.04525	2.2
125.02463	0.7
133.02957	3.5
134.03767	13.2
135.04573	5.6
135.94765	0.7
136.01704	0.7
136.04932	0.8
137.02454	2.5
137.09680	0.9
139.04010	0.6
147.04581	0.7
149.02473	5.2
149.06119	2.2
150.03241	10.9
151.03967	2.7
152.01164	100.0
153.01913	6.2
153.05569	0.7
160.01752	1.3
161.02419	2.2
163.04018	3.6
164.04921	0.7
165.04233	1.1
165.05556	8.8
166.02710	0.8
167.03561	0.8
175.04077	2.0
177.01955	2.3
178.02719	4.4
179.03516	4.5
180.04187	1.8
193.05119	7.6
195.06706	1.2
257.12924	0.8
273.82779	0.7
282.08820	1.0
283.06110	1.6
285.04071	1.8
315.07162	1.8
345.10822	1.9
356.79138	0.7
369.11710	1.0
375.10925	0.7
385.11426	1.9
429.10413	8.6
430.10812	1.0
447.10089	1.5
512.16162	0.7
515.40631	0.7
578.93988	0.7
621.14618	1.2
622.15179	3.9
623.15894	2.5
659.11493	0.7
713.71295	0.7
819.23547	54.1
820.23743	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	819.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	8.6
64.00824	0.8
64.84680	0.9
66.85963	0.8
69.18762	9.4
71.01388	4.9
72.99308	1.8
73.02940	2.6
81.03457	1.2
83.01389	1.1
85.02964	5.2
87.00874	1.2
87.16502	0.8
89.02443	1.9
93.03474	1.3
95.01413	1.4
96.96013	2.9
99.00859	1.3
101.02428	2.4
108.02187	67.7
109.03000	12.9
111.20229	0.9
113.02446	3.4
117.03364	1.0
119.05052	1.1
121.02976	5.8
122.03774	1.8
123.04523	2.1
125.02466	1.4
132.49121	0.9
133.02962	5.8
134.03761	13.1
135.00836	1.3
135.04526	7.7
137.02499	2.2
144.59148	1.1
149.02463	5.2
149.06010	2.3
150.03229	13.9
151.04001	2.2
152.01164	100.0
153.01799	6.2
160.01749	1.1
161.02414	1.9
163.04033	5.0
164.04823	1.4
165.05589	11.0
175.03990	3.0
177.01877	2.3
178.02707	3.6
179.03526	5.9
181.04970	1.1
193.05034	7.8
195.05013	1.3
195.06667	1.3
207.02969	1.3
209.01025	1.0
225.07762	1.1
269.04431	1.2
283.06036	1.2
285.03915	1.6
315.07480	1.5
345.10904	1.5
385.11292	3.2
429.05865	1.1
429.10504	14.3
433.07510	1.9
447.10916	2.0
448.10858	0.9
622.15460	3.9
623.15723	2.8
819.23560	60.2
820.23700	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	817.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	2.6
75.86583	0.5
83.05016	0.7
85.36147	0.6
91.96907	0.6
96.96006	1.0
107.18940	0.6
119.05030	2.0
119.42921	0.6
139.40703	0.5
146.08098	0.5
169.06573	0.8
173.06061	0.7
175.07639	0.8
191.79333	0.6
211.07587	0.9
219.08211	0.7
223.07629	4.2
224.08374	0.9
228.99171	0.6
233.06180	0.7
234.47438	0.6
235.07655	2.3
237.09171	0.8
238.06380	0.8
241.08830	0.8
245.06047	2.1
245.09770	0.6
246.06824	0.9
249.05637	1.4
249.58298	0.6
250.06363	1.4
251.07187	3.9
259.11093	0.6
261.09216	0.6
261.12775	0.6
262.06284	1.0
263.07141	31.7
264.07751	6.6
265.08286	0.5
273.12973	1.5
275.11096	0.6
275.14453	0.7
278.58188	0.6
283.11310	1.2
289.08810	1.6
293.15576	1.1
299.10757	1.1
300.11810	1.3
301.12296	3.6
302.12808	0.9
303.10217	4.5
304.10934	1.0
317.11841	4.6
318.12640	8.4
319.13367	6.3
345.18335	1.4
361.17969	1.7
363.19626	2.3
371.16595	1.1
389.17603	100.0
390.17929	12.9
407.18655	12.8
408.19159	1.8
608.16437	0.9
817.32703	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	817.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01714	1.0
61.98842	4.5
71.01391	2.7
71.54564	0.5
71.54968	0.9
80.96542	0.8
82.04669	0.5
89.02476	1.8
96.96061	0.7
101.02479	1.9
105.35185	0.5
112.38627	0.4
113.02496	1.4
119.03501	0.7
119.05049	0.7
125.02480	1.1
141.01721	52.1
142.02043	1.0
142.05118	0.5
185.01924	0.5
185.09467	0.5
215.67293	0.6
235.08202	1.0
243.04985	0.9
277.21814	4.9
278.22238	0.7
359.22131	3.5
367.27335	0.5
397.13513	11.3
397.18454	0.7
398.13977	0.6
409.13083	0.5
415.14624	2.4
419.12100	1.8
437.12704	3.3
675.36267	0.6
697.34790	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01708	0.9
61.98834	4.6
69.30115	0.3
71.01398	2.3
73.02944	0.6
85.02962	0.4
89.02454	2.2
96.96030	0.6
96.99308	0.4
97.02959	0.9
101.02449	2.1
102.63019	0.3
113.02442	0.7
119.03476	0.8
119.05004	0.7
125.02445	1.0
141.01715	54.1
142.02029	1.1
142.05132	0.4
153.01682	0.4
161.04518	0.5
178.90924	0.3
235.08331	0.7
243.04836	1.1
253.09270	0.3
257.06299	0.4
277.21729	6.2
278.22046	0.5
287.07712	0.5
359.22067	4.2
360.22653	0.4
397.08319	0.8
397.13480	11.6
398.13721	1.1
415.14548	2.1
416.14288	0.4
419.11655	2.3
437.12781	4.0
538.20050	0.4
675.36157	1.1
697.34283	2.5
698.34448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	6.7
67.09740	2.6
96.46124	2.8
96.96021	15.6
98.49366	2.6
107.05043	4.0
108.02200	7.5
117.96947	2.7
119.05045	100.0
119.88517	3.1
120.05393	2.7
120.81574	2.8
121.02996	7.3
135.04553	4.0
136.05301	5.6
145.02972	4.0
149.02441	3.0
152.01154	7.1
157.06633	5.1
157.28896	3.0
159.10315	6.7
165.01958	3.6
175.07654	7.3
177.01906	5.2
177.37221	3.4
178.02261	2.9
187.04076	4.7
199.07773	3.2
201.05626	6.7
225.09253	6.8
227.07159	7.3
227.10780	14.1
241.08900	3.3
243.13943	5.1
244.14314	3.2
263.37070	3.8
269.11771	6.9
277.21429	3.7
287.12802	16.7
301.14517	6.8
302.14908	4.1
347.20435	4.3
397.13303	4.8
407.18668	96.4
408.19135	20.2
409.13080	10.0
409.20236	48.7
410.20398	5.8
585.24670	6.1
817.32129	20.9
818.33057	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	817.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	2.3
63.08028	0.4
69.83443	1.9
71.71218	0.5
79.05506	0.5
89.06553	0.4
93.03489	0.5
96.96014	1.3
107.05060	1.2
117.03510	1.2
119.05004	2.7
131.05008	2.3
157.06586	0.8
159.74913	0.4
161.02394	0.7
165.07115	0.5
167.08778	0.6
169.06610	4.1
175.07651	1.0
179.08630	0.5
182.07414	2.1
193.06593	1.9
195.04491	0.5
195.08206	1.4
201.05760	0.5
207.08211	1.0
209.06055	3.0
210.06863	4.2
211.07672	4.0
213.05521	0.7
219.08203	1.2
221.06148	1.3
222.06862	1.1
223.07654	18.8
224.08392	2.5
233.06053	1.3
234.06937	0.8
235.07661	3.3
237.05551	1.7
237.09338	0.6
238.06447	2.1
239.07109	2.5
240.86362	0.5
243.08255	0.6
245.05908	0.6
245.09761	1.2
246.10451	1.5
247.07632	4.2
247.11183	0.7
248.08118	0.5
249.05540	2.4
250.06308	0.9
251.07285	2.8
252.07968	0.5
253.05174	0.7
254.05858	3.1
257.13263	0.6
259.07291	0.5
261.06403	0.5
261.09164	4.1
262.06201	0.8
262.09851	1.3
263.07181	1.6
263.10739	1.5
264.07748	0.9
267.06616	1.8
271.07593	1.7
272.08334	1.2
273.09225	1.7
274.06238	0.5
275.07162	18.5
275.10336	0.7
276.07593	2.0
277.12320	1.6
279.06622	1.1
283.11349	1.0
285.12726	2.5
286.13629	0.6
287.07214	0.6
287.10507	0.9
287.14215	0.4
289.08719	21.0
290.09308	5.5
294.08847	0.7
297.09302	0.8
298.09888	1.1
303.10226	1.6
305.15521	0.6
311.10687	1.3
312.11526	1.8
313.12360	3.1
314.12677	0.5
315.10263	1.8
316.11081	0.7
321.11194	1.1
322.08429	3.8
327.17728	0.8
329.11838	6.7
330.12289	1.1
331.13419	5.7
332.13690	0.8
343.17099	1.3
345.18600	37.7
346.18936	5.7
351.11511	0.5
353.15417	0.7
361.18106	1.2
363.19852	0.9
371.16522	9.6
372.16736	1.2
389.17596	100.0
390.17923	13.9
391.19174	0.9
407.18604	15.5
408.18982	2.3
409.12848	0.7
409.20062	1.0
425.19537	0.6
458.67871	0.5
764.80139	0.5
817.32355	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	817.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	2.4
69.81088	3.2
79.05508	0.6
80.96538	0.6
83.05029	3.0
83.17281	0.6
93.03455	2.2
96.96022	2.4
98.19930	1.2
106.04256	1.4
107.05063	3.3
108.02191	1.0
108.26711	0.6
109.02957	1.2
115.92960	0.6
119.05038	100.0
120.05388	4.0
121.02936	1.5
122.03745	1.3
130.04288	1.6
133.02951	1.3
143.05043	2.5
144.05887	0.8
145.02946	1.7
145.06592	2.1
147.08107	1.3
153.01926	0.9
157.06609	4.4
159.04480	1.1
159.08170	2.7
161.02437	6.0
162.03201	0.9
164.04869	0.6
173.09698	2.8
175.07704	3.9
177.01913	1.2
187.03923	1.0
188.04823	0.7
191.10709	1.2
201.01967	1.1
201.05551	2.8
211.07565	1.1
216.07896	1.1
217.08702	2.3
219.06667	1.0
223.07657	0.8
225.09244	0.9
227.07188	5.5
231.06784	0.9
240.08008	0.7
241.08774	1.4
243.13853	1.8
261.14975	2.2
269.11948	1.1
287.12909	34.8
288.13397	3.0
293.21243	1.3
301.08710	0.7
305.13940	4.8
383.18463	1.0
389.17426	0.9
407.18649	95.4
407.88660	0.7
408.18924	13.4
409.12878	10.5
410.13327	1.6
518.03503	0.6
553.81732	0.7
555.76837	0.7
585.24976	7.7
586.24921	0.9
643.07074	0.8
817.32269	16.8
818.32239	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	817.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18086	0.4
61.98825	0.5
70.44080	0.3
71.55509	0.4
76.00319	0.3
80.96510	0.7
83.05040	0.5
93.25185	0.3
95.01376	0.5
96.95982	0.4
97.42149	0.4
103.72890	0.4
107.05016	0.5
119.05063	0.6
124.23293	0.4
157.06537	0.5
169.06526	1.0
175.07684	1.0
183.08081	0.8
189.07286	0.4
193.06622	0.8
195.08109	0.6
207.08202	0.8
208.05363	0.6
209.09714	0.4
211.07663	1.1
214.53203	0.4
217.06566	1.7
221.06078	0.9
222.06833	0.5
223.07625	3.2
224.08270	0.4
225.09158	0.9
227.07045	0.5
232.08878	0.6
233.06116	1.4
234.06888	0.5
235.07651	2.8
237.05586	0.7
238.06241	0.4
239.07236	0.4
241.08702	1.0
243.08070	0.5
245.06084	2.1
245.09717	1.1
246.06783	1.3
246.10570	0.7
247.07529	0.6
247.11201	1.0
249.05556	1.5
250.06306	1.1
251.07132	4.2
252.07736	0.5
253.08621	0.6
259.11252	1.1
261.05573	0.9
261.09363	0.4
261.12830	0.6
262.06393	0.9
262.09769	0.6
263.07135	32.9
264.07779	6.8
271.11349	0.6
273.08972	0.5
273.12878	1.2
275.07339	0.6
275.10684	0.8
275.14435	0.9
277.08469	0.5
281.08267	1.5
283.11240	1.5
285.09161	0.5
286.09897	0.7
289.08707	1.4
289.12021	0.6
290.09348	0.7
291.14197	0.4
299.10776	1.4
300.11588	1.6
301.12289	3.8
303.10315	4.0
304.10895	0.9
311.09229	0.6
317.11853	4.7
318.12616	8.2
319.09692	0.7
319.13370	8.1
345.18607	0.8
351.12378	1.0
361.18182	2.0
362.18723	0.4
363.19669	1.1
371.16550	1.0
383.15271	0.6
385.18558	0.4
389.17609	100.0
390.17984	14.3
391.19073	0.5
395.11310	1.3
407.18643	10.5
408.19028	1.6
409.20099	0.9
427.14075	0.4
472.41699	0.4
738.82794	0.4
817.32721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77032	1.2
59.01374	5.0
61.98838	1.9
67.34295	1.2
69.40799	7.9
71.01387	2.8
77.51814	1.4
78.95920	1.8
80.96531	4.6
83.05035	5.5
89.02434	1.6
94.98126	1.6
96.95972	1.6
98.19901	2.2
100.75552	1.1
101.02447	2.3
113.02461	1.9
158.32301	1.2
163.11293	2.5
164.20119	1.3
165.12906	2.0
166.71248	1.2
175.12497	1.3
191.10684	1.1
209.11844	100.0
210.12160	6.5
223.07628	1.5
225.00708	1.9
227.12915	10.9
232.52008	1.7
235.08368	2.7
237.08961	1.2
239.07039	2.4
241.01233	1.4
251.07039	1.7
253.09274	8.4
258.62985	1.4
263.07089	1.6
277.21753	67.0
278.22125	6.3
303.10135	1.6
351.13403	1.3
387.16058	16.1
388.16394	3.5
390.83612	1.5
400.67194	1.4
405.16864	2.6
407.18530	2.7
445.20929	2.7
468.99750	1.3
572.95630	1.4
582.15662	1.2
815.36206	2.2
815.49866	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	815.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60714	6.1
66.78533	5.8
70.71634	14.6
70.71987	7.7
71.01388	13.2
72.34334	6.7
78.98576	12.7
79.95734	18.2
80.96532	99.6
92.55042	6.4
94.98086	18.3
95.73640	6.9
164.98636	15.4
225.00784	20.3
307.23737	6.4
325.14758	6.8
510.20490	7.6
815.50043	100.0
816.50140	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
65.00328	1.5
69.33620	4.5
71.01390	1.6
73.02963	1.2
80.58358	0.7
83.01390	1.4
83.62354	0.7
96.96019	1.6
107.01406	3.1
122.28107	0.7
131.36299	0.7
132.02219	0.9
132.13324	0.9
133.02974	14.7
149.02457	2.6
151.00378	6.1
171.69885	0.8
175.03963	4.2
195.04495	1.0
195.06656	0.8
199.04027	2.6
203.07108	0.8
210.03194	1.4
211.04033	14.9
212.04570	1.0
217.05171	1.6
225.05592	1.5
227.07214	1.0
239.03523	36.5
240.04228	8.9
241.05035	1.7
243.02985	0.9
255.06799	0.9
267.03009	32.1
268.03720	15.0
269.04242	1.0
282.05365	26.7
283.06140	52.8
283.80490	0.9
284.06482	5.1
285.04083	100.0
286.04468	8.5
373.79126	1.0
459.46573	0.7
487.12518	75.8
488.12836	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	815.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01385	39.9
70.22916	1.3
71.01385	10.2
71.92967	0.4
72.99304	1.0
79.49521	0.5
83.01378	0.6
85.02954	1.7
89.02448	10.3
95.01408	0.7
98.20565	0.8
101.02464	6.4
108.02209	0.6
113.02460	3.5
119.03520	3.1
119.52750	0.5
129.01923	0.5
132.09406	0.4
135.04535	1.2
141.01947	0.4
145.03000	0.6
146.03751	34.9
147.04039	2.5
150.03185	0.7
161.04710	0.5
161.06081	10.8
162.06442	0.7
163.03954	0.8
163.11302	3.3
164.04807	21.5
165.05176	1.9
179.07149	53.0
180.07518	5.5
181.08853	0.9
207.10243	7.0
208.10609	0.7
218.52585	0.5
241.08856	0.6
387.16623	100.0
388.17004	9.2
450.47473	0.6
564.52161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60020	0.5
59.01385	5.9
70.34234	1.9
71.01389	3.6
71.01725	0.6
72.99321	0.9
73.02951	1.3
75.00886	0.9
85.02953	1.4
86.23580	0.5
89.02454	2.0
96.96025	0.5
101.02454	1.8
109.02930	0.8
111.32274	0.5
113.02489	1.7
118.25791	0.5
119.03603	0.5
119.05040	4.0
135.04538	2.0
137.06071	1.0
145.02950	1.6
146.03749	43.8
147.04347	1.9
152.01103	0.6
161.04655	1.3
161.06091	12.0
163.04042	2.0
164.04807	32.1
165.05167	1.9
167.03503	0.9
177.04027	0.7
179.07150	100.0
180.07475	6.5
193.05003	0.8
195.05174	0.7
206.08226	0.8
325.09299	0.8
564.14783	1.3
698.42847	0.6
815.25739	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	813.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.3
69.26195	1.0
69.26621	0.8
71.01389	2.3
72.99350	0.3
73.02957	0.3
80.19866	0.2
85.02950	0.9
87.00851	0.2
89.02457	3.1
95.05038	0.2
96.96010	0.3
101.02448	1.3
113.02458	0.9
114.91825	0.2
119.03545	1.1
119.05034	0.4
132.05814	0.2
135.04524	0.5
137.06111	0.4
143.03558	0.2
145.02992	0.3
146.03752	72.9
147.04051	3.4
161.06094	41.9
162.06448	2.3
163.04034	0.3
164.04817	7.9
165.05162	0.5
179.07150	100.0
180.07503	5.1
233.85863	0.2
285.04004	0.3
314.04413	0.3
343.11694	0.2
383.13583	0.5
392.92245	0.3
654.14783	0.2
655.47125	0.3
813.22638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.4
62.17831	0.3
67.19745	0.3
69.84478	1.2
71.01392	3.4
73.02952	0.5
85.02969	1.0
87.00832	0.4
89.02457	2.9
98.19969	0.6
101.02463	1.7
113.02464	1.2
119.03529	1.0
119.05011	0.8
119.89133	0.4
133.06599	0.4
135.04536	0.9
137.06166	0.3
145.02945	1.0
146.03748	71.2
146.14149	0.3
147.04048	3.0
153.21019	0.3
154.14241	0.3
158.06122	0.4
161.06091	40.5
162.06439	2.3
163.04056	0.8
164.04802	10.2
165.05305	0.4
179.07144	100.0
180.07483	5.5
206.08192	0.5
215.26654	0.3
314.04279	0.7
383.13419	0.8
428.90848	0.4
593.71497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	4.2
59.01387	100.0
60.01711	1.3
68.21453	0.8
71.01390	18.5
72.99327	1.1
73.02956	21.6
75.00893	2.0
77.42815	0.9
77.99931	0.8
83.01393	6.8
85.02971	5.1
87.00893	1.1
89.02448	6.8
95.01420	1.4
96.96015	1.5
101.02461	20.0
109.02952	1.1
113.02444	8.5
114.23338	0.8
119.03499	2.8
119.05047	1.5
125.02439	1.7
131.03493	2.1
138.05643	1.8
143.03481	1.7
145.57985	0.9
146.03755	11.9
149.04561	3.8
161.04575	7.5
161.06078	7.1
164.04779	1.3
164.07190	1.0
167.10786	1.7
179.05688	0.8
179.07147	13.7
195.05128	1.1
221.06638	2.4
225.42183	1.0
229.44035	1.0
314.04251	2.1
387.20193	2.9
405.21442	1.9
447.22375	30.5
448.22812	5.5
485.54730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.5
59.01386	2.1
59.22823	0.3
63.02400	3.2
63.12584	0.3
65.00356	0.4
71.01394	2.3
71.55084	0.6
73.02962	0.6
75.49352	0.3
80.08450	0.3
81.03487	1.0
83.01418	0.7
85.02984	1.3
89.02471	0.7
91.01904	22.3
92.02274	0.8
96.96014	1.8
99.00900	0.4
101.02442	1.7
108.02209	1.3
109.02987	0.5
113.02461	1.2
120.69386	0.3
122.03750	10.6
123.04074	0.4
124.00172	0.3
124.01668	0.5
125.02483	1.2
135.04498	0.3
137.02460	1.0
148.01712	0.6
148.05319	5.8
149.02400	0.4
149.05907	0.4
154.02626	0.4
156.05850	0.3
161.02423	0.3
161.04599	0.6
163.07690	1.6
163.59152	0.3
169.06602	12.6
169.10246	1.3
170.06946	0.7
171.06729	0.4
171.08168	5.4
179.05464	0.3
183.08249	0.5
195.08156	3.7
211.07585	0.6
213.09222	67.2
214.09547	5.8
225.09174	0.4
229.33116	0.3
237.09151	0.6
239.07140	100.0
240.07478	7.4
243.10657	0.4
252.04288	1.9
253.08768	0.4
255.10188	0.6
257.08206	20.6
258.08551	1.1
267.06638	2.7
281.08258	2.1
286.52936	0.3
299.09177	4.2
300.09573	0.5
320.63550	0.3
323.09216	0.5
325.63168	0.3
341.10291	0.8
342.46286	0.3
378.82532	0.3
419.13486	34.7
420.13779	4.0
443.13593	1.5
487.12503	16.9
488.12997	2.6
505.13531	0.8
675.40588	0.3
813.25916	3.6
813.39392	0.6
814.25787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	62.2
70.99686	100.0
84.23958	41.1
84.47256	40.2
139.71939	48.3
251.08858	42.7
251.69028	54.4
277.21848	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	7.2
59.01382	2.2
63.63380	0.5
63.85750	0.4
69.36593	1.7
69.37021	1.9
70.02990	6.4
71.01360	1.0
72.00924	2.5
72.04548	1.3
74.02480	40.4
75.02837	0.5
98.01899	0.8
98.02487	9.9
116.03561	10.5
116.05072	16.1
130.06604	1.2
142.06630	3.9
159.09296	3.6
176.58096	0.5
186.05608	1.2
193.05028	0.6
201.10385	3.3
203.08278	39.1
204.08554	2.6
212.60516	0.5
241.74326	0.5
245.09320	100.0
246.09665	9.2
247.10301	0.4
280.20270	0.5
399.62930	0.5
526.98273	0.5
720.25922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62759	1.0
61.98830	4.5
62.05450	1.4
63.26022	1.2
67.01889	2.3
74.23759	1.2
96.96009	3.8
98.20677	2.8
107.05016	1.7
108.02170	4.3
123.04540	2.3
135.04503	1.4
141.02223	1.2
148.05258	1.6
157.06543	3.6
159.04497	1.8
159.08130	8.2
161.82738	1.3
167.03499	6.4
175.07547	1.8
196.83945	1.2
201.05510	1.9
203.07153	27.4
204.07465	2.2
221.08188	11.3
225.09250	6.4
226.09930	1.6
227.10820	1.7
228.03552	1.7
229.08698	2.2
239.10776	11.5
244.91405	1.4
265.08688	2.0
269.08148	3.5
282.40829	1.5
283.09705	3.0
342.33078	1.3
347.20059	5.1
365.10394	9.8
365.21112	4.2
379.11365	1.8
380.12589	5.4
391.18976	3.1
395.14996	100.0
396.15311	12.8
409.20218	42.7
410.20486	5.5
667.30591	1.3
710.43909	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	805.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03982	0.2
67.01881	0.3
69.62512	1.0
79.05547	0.3
83.18931	0.2
93.03471	0.4
95.05045	0.3
96.96004	0.3
126.02996	0.2
152.23106	0.2
169.06650	0.8
173.09579	0.2
177.12836	1.1
179.08679	3.0
180.09155	0.2
181.10240	0.3
183.08075	0.2
187.04034	0.2
193.06749	0.2
196.08896	0.9
207.08061	0.2
208.05203	0.3
209.06076	0.5
210.06874	0.2
211.07634	0.9
221.06055	0.5
222.06859	0.4
223.07658	27.3
224.08333	6.1
225.09216	2.9
227.07048	0.9
232.09006	0.4
233.06133	0.4
234.06839	0.4
235.07651	2.1
236.08263	0.2
237.09201	1.3
245.09671	0.8
246.06912	0.3
246.10555	0.4
247.11279	0.6
248.11867	0.2
251.07170	1.8
252.07800	0.7
256.07483	0.8
258.10422	0.3
259.11313	0.9
261.05618	0.5
261.09219	0.7
261.12354	0.2
262.06439	0.5
262.09952	0.2
263.07120	2.1
263.10880	1.3
264.07907	4.9
265.08475	0.4
265.12363	0.6
275.10721	0.6
277.12250	1.0
279.06625	0.4
285.09262	0.4
286.10141	0.4
287.10757	0.6
289.08728	1.0
290.09277	0.3
303.10291	6.5
304.11050	10.5
305.11557	1.1
329.19128	0.9
345.18631	1.7
346.19171	0.3
347.20178	25.5
348.20523	3.1
355.16998	0.9
356.17383	0.2
373.18106	20.6
374.18442	2.9
381.67621	0.2
391.19186	100.0
392.19525	13.4
444.70831	0.2
603.54437	0.2
805.37195	5.8
806.37402	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	807.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	19.9
61.98844	89.6
64.69655	13.2
68.00449	12.3
69.48696	12.2
71.01376	20.4
71.54726	18.8
74.94986	12.9
96.96012	32.5
101.88624	13.7
105.23610	15.1
107.05012	15.2
116.25194	14.2
175.07616	34.1
197.41731	13.0
209.11824	100.0
253.09264	33.7
293.21121	98.5
537.16779	13.9
807.43250	41.3
825.68030	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	809.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16215	0.3
67.01914	0.3
69.61200	1.5
93.13467	0.2
95.05080	0.3
95.94791	0.3
103.77871	0.2
104.03694	0.2
106.04289	0.6
107.01460	0.2
107.05041	4.2
107.05741	0.3
116.03591	0.2
119.05056	1.4
121.02926	0.5
121.65807	0.2
122.03741	0.3
129.11052	0.2
135.04539	9.7
136.05255	0.3
142.98509	0.2
143.05025	0.7
149.02444	0.8
155.06975	0.2
156.05844	0.3
157.06624	1.4
159.08203	0.8
161.02481	0.5
171.08154	1.1
174.06830	0.3
175.07689	0.4
177.12865	1.5
182.07425	0.3
183.07982	0.2
185.09760	0.4
188.08467	0.2
189.05559	0.3
189.09184	1.2
195.08141	0.3
197.09747	0.4
203.07140	0.3
213.09221	0.9
214.06502	0.3
215.07129	1.2
223.07628	0.3
225.07018	0.5
225.09216	8.1
226.09999	5.9
227.10721	1.4
227.14403	0.5
237.09288	1.5
239.10796	0.8
247.11266	0.4
251.07169	0.9
261.12854	3.6
262.13431	0.6
263.07379	0.3
265.08640	0.3
265.12408	0.5
267.13965	0.6
269.08182	0.9
277.09238	0.2
277.12424	0.7
279.14001	1.0
281.08475	0.3
305.11774	0.8
305.19119	5.2
306.12463	0.3
306.19644	0.5
331.20676	3.2
332.20966	0.3
349.21738	23.5
350.22159	2.7
375.19681	35.9
376.20068	5.2
393.20737	100.0
394.21060	12.4
706.05377	0.3
809.40417	7.2
810.40558	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	809.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	9.5
59.01376	31.4
61.98842	63.8
71.01373	20.7
71.55028	11.9
72.99317	11.0
73.02967	6.9
73.18704	8.8
75.00877	10.3
78.91901	7.1
83.56268	7.7
85.02947	8.5
86.74649	8.2
86.84589	8.5
87.00860	8.3
89.02449	13.6
96.96014	20.8
116.92850	36.4
116.97270	9.9
121.02938	8.6
125.02456	10.7
147.08360	7.8
171.10231	7.5
197.11829	8.8
201.11375	45.4
209.11852	72.9
227.12852	22.4
253.09265	40.3
291.19754	28.8
309.20755	100.0
310.21091	13.9
545.29791	17.5
729.40814	12.2
809.41235	72.5
810.40924	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	805.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92536	0.3
59.01392	1.7
64.56355	0.3
67.01879	0.3
69.73766	1.7
71.01377	0.8
73.02960	0.4
79.95752	4.6
85.02946	0.4
89.02460	0.7
90.82744	0.3
95.01404	0.4
96.96018	100.0
97.95968	0.5
101.02440	0.6
107.05035	0.5
108.02177	0.5
108.13733	0.3
109.02974	1.6
121.02909	0.3
123.00922	0.9
123.04523	0.3
134.03699	0.4
136.01698	0.7
137.02458	8.7
138.01950	0.4
138.03249	0.5
149.02463	0.7
150.03255	0.8
151.00383	4.1
151.04016	1.6
152.01164	1.0
152.04803	0.8
153.05525	0.4
158.38998	0.4
159.04482	0.3
160.01665	0.4
162.03284	0.4
163.03978	0.3
164.01184	0.9
164.04837	0.3
165.01941	33.1
165.05615	1.9
166.02722	11.1
167.03345	1.3
168.77925	0.3
175.04066	0.8
177.01888	0.8
178.02831	0.6
179.03497	7.3
180.04285	18.4
181.05070	12.7
182.05344	0.5
187.04037	0.9
190.06427	0.5
191.03438	0.3
192.04393	0.7
193.05066	1.4
194.05849	1.5
195.06631	25.1
196.06882	1.4
204.04195	0.4
205.05093	1.8
207.06642	0.6
210.05330	3.9
210.19629	0.3
219.06606	0.5
220.07426	1.2
225.07697	22.0
226.08003	1.0
235.09828	0.3
359.11392	0.5
372.12250	0.4
386.13635	0.4
387.10071	1.8
387.15216	2.0
388.10886	0.5
402.13242	1.4
403.14075	0.8
416.15103	0.8
417.15546	18.8
418.15887	2.0
565.17291	0.7
580.19586	0.5
595.21838	18.1
596.22241	4.2
613.23291	0.4
643.24017	9.4
643.34692	0.6
644.24493	2.1
668.45685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
62.67122	0.1
62.73720	0.1
64.50194	0.1
71.01380	0.5
71.55462	0.2
79.95746	3.7
85.02972	0.2
89.02462	0.4
96.96021	100.0
97.95956	0.3
109.02971	0.4
113.02419	0.2
119.03496	0.3
122.06188	0.1
123.00838	0.2
125.02460	0.2
136.01730	0.2
137.02464	2.2
138.02002	0.3
149.02531	0.1
150.03198	0.3
151.00409	1.1
151.04071	0.4
152.01199	0.2
152.04808	0.2
152.07205	0.2
155.17764	0.1
160.01736	0.1
161.02446	0.1
164.01265	0.2
165.01944	7.7
165.05623	0.4
166.02728	2.5
167.03468	0.3
172.90640	0.1
175.04106	0.1
177.01956	0.3
177.05556	0.1
179.03511	1.6
180.04285	4.3
181.05074	3.2
182.05318	0.2
187.03940	0.2
192.04372	0.3
193.05125	0.4
194.05754	0.3
195.06642	5.7
196.06976	0.3
196.81691	0.2
205.05138	0.4
207.06741	0.2
210.05347	1.0
211.05429	0.1
219.06485	0.2
220.07410	0.3
225.07700	4.8
226.08183	0.3
387.10776	0.6
387.14706	0.5
402.13281	0.3
403.13651	0.2
416.14798	0.3
417.15573	4.1
418.15955	0.6
461.46143	0.1
580.19440	0.2
595.21838	3.8
596.21936	0.7
643.23877	1.9
644.24634	0.4
660.20367	0.1
707.29822	0.3
805.23859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63455	5.1
64.16631	4.6
69.00901	5.9
69.39344	43.8
95.17589	5.6
118.94909	5.5
135.04498	8.1
140.04494	5.6
320.78708	7.0
349.21646	18.6
360.53354	6.0
375.19504	35.1
393.20691	100.0
394.20920	12.7
626.35181	5.6
801.34369	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	803.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21074	1.1
59.01389	9.5
67.22728	1.1
69.48753	9.1
71.01388	2.8
73.02962	1.6
75.00874	2.0
80.38010	1.1
83.01402	1.2
89.02455	1.8
94.03970	1.0
96.96030	1.8
98.19919	2.7
101.02449	1.3
109.02943	2.2
113.02447	1.4
121.02992	3.2
125.02480	1.6
133.02979	8.7
134.03734	1.4
135.04480	1.4
151.00444	2.0
151.75691	1.2
161.02325	1.7
163.00366	1.6
163.04033	1.9
165.01910	1.6
165.05504	1.2
175.04080	1.6
177.02017	1.6
193.01497	1.2
193.05212	1.7
225.05653	1.4
253.05125	1.4
284.03253	4.9
285.04071	10.8
286.04184	1.3
297.04065	13.6
298.04721	9.2
299.05630	7.4
311.05573	5.6
327.05109	45.5
328.05429	5.1
339.05115	6.0
339.08664	1.3
357.06177	38.0
358.06436	2.9
369.06064	2.0
429.08182	5.1
447.09335	100.0
448.09625	13.1
755.53882	1.5
766.30408	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	803.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
61.98825	0.7
65.00317	0.7
70.72904	1.2
71.01375	0.9
73.02952	0.6
77.03948	0.5
79.01904	0.6
82.53282	0.4
83.01356	0.6
85.00377	0.4
85.02976	0.6
89.02468	0.5
90.88376	0.4
96.96046	0.6
101.02375	0.6
105.03481	0.6
107.01357	0.6
109.02947	2.2
113.02479	0.7
119.05055	0.8
121.02966	2.1
125.02436	1.3
132.04564	0.6
133.02968	10.6
134.03416	0.4
135.00958	0.4
135.04530	0.9
137.02470	0.6
147.04515	0.8
149.02431	1.7
151.00349	0.5
152.03485	0.5
161.02458	1.1
161.04549	0.6
163.00374	1.3
163.04022	3.5
165.01924	1.4
173.02435	0.7
175.04004	2.7
177.01932	1.1
191.03537	2.1
193.01447	1.3
195.04965	0.5
199.04033	1.4
201.01930	0.9
203.03456	0.7
211.04027	0.8
213.05656	1.1
215.03447	0.5
217.05090	0.8
219.41779	0.4
225.05582	0.7
227.03447	0.5
240.04291	0.8
241.05170	1.0
243.02905	0.3
245.09189	0.4
253.05086	1.3
255.02980	1.5
255.06573	1.0
256.03662	0.6
269.04572	0.8
271.06104	0.5
283.06213	0.5
284.03293	10.4
284.06485	0.5
285.04007	7.8
286.04361	0.6
297.04062	13.5
298.04810	8.9
299.05609	16.7
300.05957	1.3
304.07449	0.4
309.03964	1.2
311.05566	2.4
314.50250	0.4
325.03552	0.9
327.05115	100.0
328.05423	8.7
332.44275	0.4
339.05136	3.2
341.06638	0.9
357.06155	27.1
358.06476	2.8
369.06183	2.3
393.06183	1.0
447.09344	88.9
448.09680	9.4
589.71509	0.4
719.40637	0.4
731.37872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	3.1
64.93375	1.3
71.39432	1.0
95.66469	1.1
107.05075	2.0
119.04219	1.2
119.05029	4.3
125.89861	1.1
135.04485	2.4
157.06598	3.5
159.08165	2.0
161.06110	1.2
185.09723	1.8
195.08298	1.3
203.07179	1.3
209.65343	1.1
211.07651	1.1
215.07065	2.6
225.09242	3.5
226.09923	2.0
235.36098	1.2
251.07172	1.8
253.08905	1.4
259.56433	1.0
261.12796	5.8
277.12378	1.4
277.21552	1.2
305.11725	1.8
305.19156	11.2
306.12143	1.4
306.19711	1.4
331.20917	2.8
349.21677	7.1
375.19644	100.0
376.20041	11.7
392.19562	1.3
393.20721	54.6
393.25906	2.7
394.21179	6.7
403.14484	1.1
450.28229	1.3
804.35901	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	801.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28876	0.2
60.17657	0.2
60.43783	0.2
61.98840	2.5
63.19758	0.2
67.67052	0.2
71.54108	0.2
79.05532	0.5
80.96519	0.6
89.01274	0.2
94.98106	0.2
107.05025	0.5
117.03439	0.5
119.05052	1.7
149.81325	0.2
157.06586	0.5
169.06573	1.1
173.09714	0.2
175.07591	0.3
179.08678	0.3
180.05809	0.3
181.06502	0.2
183.08089	0.3
187.04028	0.7
193.06606	0.5
195.04495	0.2
195.08220	0.5
197.06085	0.8
198.06796	0.6
199.07631	0.3
201.05611	0.4
205.06575	0.3
206.07397	0.3
207.08083	0.6
208.05441	0.3
208.08861	0.4
209.06148	0.4
211.13429	0.7
212.04759	0.3
212.13812	0.3
219.08167	0.2
221.06093	0.6
222.06917	0.4
223.07652	4.1
223.09703	0.4
224.08315	0.8
225.05591	0.5
225.09190	0.3
227.07138	3.6
228.07425	0.3
231.08221	0.3
231.11803	0.4
232.08925	1.6
233.06073	0.7
233.09709	0.8
234.06914	1.4
235.07773	1.1
237.05624	0.5
238.06479	0.3
243.08170	0.7
244.08765	0.3
245.06085	0.2
245.09726	2.1
246.06900	0.9
246.10484	1.4
247.07475	0.2
247.11255	1.7
248.08223	0.2
248.11636	0.3
249.05611	0.7
250.06299	0.4
251.07141	4.4
252.07910	1.6
257.09717	1.6
258.10385	0.5
259.07620	0.5
259.11313	3.4
260.08472	0.2
260.11722	0.4
261.05588	0.6
261.09210	2.9
262.06271	0.9
262.09814	0.6
263.07156	8.4
264.07907	9.8
265.08325	1.2
271.07642	0.5
272.08142	0.2
273.09332	0.4
274.09689	0.3
275.07239	0.8
275.10785	2.4
276.11493	0.9
277.12390	0.3
277.21613	0.3
279.06613	0.2
285.09222	2.7
286.09921	1.7
286.12772	0.2
287.07535	0.2
287.10687	2.0
288.07999	0.5
288.11063	0.3
289.08734	3.4
290.09290	0.9
291.10229	0.4
292.11063	0.3
294.05746	0.2
303.10281	26.2
304.11032	23.8
305.11429	3.0
312.11127	0.3
320.06592	0.2
322.08206	0.3
327.17569	0.5
329.19296	1.0
330.19443	0.2
336.09995	0.4
345.18604	3.1
346.18982	0.4
347.20190	2.8
348.20490	0.4
355.16980	1.8
373.18100	100.0
374.18442	13.1
391.19189	15.5
392.19656	2.2
409.13040	0.8
711.38245	0.3
740.31030	0.2
801.31873	1.2
802.33478	0.2
819.58765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.7
70.09906	0.3
70.61139	0.4
70.61462	0.6
71.16130	0.3
79.05542	0.4
80.96539	0.9
82.96107	0.3
83.49308	0.3
93.03469	1.3
98.20563	0.3
106.04254	0.7
107.05070	1.6
108.02235	0.6
119.05040	100.0
120.05375	4.2
121.02966	0.8
122.03717	0.6
130.04259	4.2
133.02917	0.5
139.00331	0.5
143.05043	1.3
144.05811	0.9
145.02980	1.1
145.06642	3.1
149.02411	0.5
150.03262	0.3
153.01987	0.7
156.05783	0.5
157.06615	3.9
158.07388	0.3
159.04492	1.7
159.08151	3.1
161.02489	1.3
161.06152	0.4
162.03212	0.7
171.08160	1.1
175.07651	3.4
176.07988	0.3
177.01971	0.6
187.04060	1.4
188.04744	0.5
190.06450	0.4
201.01910	0.5
201.05560	3.0
202.06244	0.8
203.07214	0.4
216.04417	0.5
223.07671	0.5
225.12752	0.3
227.07162	5.8
227.14433	2.5
231.06540	1.7
240.07979	0.9
241.08717	1.2
245.15491	1.8
253.05217	0.4
255.06635	0.7
267.06598	0.8
271.13409	21.0
272.13794	1.8
277.12399	0.7
279.06717	0.7
279.10339	0.5
285.14941	0.3
287.16693	0.5
289.14487	18.7
290.14813	1.5
293.08206	0.4
295.09766	0.4
297.11676	0.3
297.15005	0.3
304.11108	0.4
321.07797	0.4
321.11176	0.7
349.07239	0.7
367.19156	0.5
373.18066	1.4
377.10687	0.4
391.19189	88.2
392.19513	12.6
407.19043	0.3
409.12958	10.5
410.13651	1.5
551.24677	0.5
569.25513	7.6
570.26050	1.5
711.38586	0.4
801.32623	9.0
801.45898	0.6
802.32910	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	801.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.9
69.25435	3.1
98.19919	0.8
107.05059	0.6
112.88833	0.3
117.03469	0.5
119.05018	1.0
156.77762	0.3
161.02417	0.4
169.06599	1.0
177.12837	0.5
187.03993	0.6
193.06593	0.7
197.06076	0.7
198.06778	0.6
219.08052	0.6
223.07663	5.4
224.08313	1.1
225.09111	0.4
227.07198	2.9
232.08923	1.0
233.06020	0.8
233.09665	0.8
234.06772	0.9
235.07629	1.2
237.05540	0.4
238.06294	0.5
243.08072	0.7
244.08484	0.4
245.09706	1.6
246.06825	1.0
246.10487	1.1
247.11285	1.4
249.05508	0.4
250.06229	0.7
251.07143	3.6
252.07698	1.2
256.63153	0.4
257.09836	1.7
259.11349	2.9
260.11749	0.4
261.05756	0.8
261.09241	3.1
262.06430	0.8
262.09814	0.6
263.07156	6.7
264.07895	9.4
265.08356	0.8
271.07559	0.4
275.07516	0.4
275.10886	2.1
276.11322	0.6
285.09280	2.6
286.10068	1.6
287.07813	0.4
287.10684	2.3
289.08771	3.7
290.09155	0.5
291.10446	0.5
292.10962	0.6
303.10287	24.9
304.11014	20.4
305.11426	2.5
322.08441	0.4
327.17285	0.6
329.19217	1.2
336.10364	0.4
345.18607	2.8
346.18729	0.4
347.20200	3.5
355.17017	1.5
373.18097	100.0
374.18423	14.4
391.19189	15.7
392.19415	2.1
801.32721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	3.5
69.53409	11.0
69.53820	2.9
106.94518	1.8
177.12892	3.3
179.08723	2.4
223.07657	28.7
224.08276	5.8
225.09258	5.0
303.10205	4.8
304.10971	6.9
347.20181	29.4
348.20615	2.9
373.18100	19.8
374.18472	2.3
391.19168	100.0
392.19385	13.3
709.54199	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	801.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98793	0.3
63.02399	0.3
65.00332	1.4
69.18578	2.3
71.01380	1.0
83.01399	0.8
85.02958	0.3
89.02433	0.4
96.96015	0.8
97.60903	0.2
101.02439	0.4
107.01398	2.8
109.02976	0.3
113.02467	0.4
121.02927	0.6
132.02184	0.8
133.02975	13.5
133.80916	0.2
134.03288	0.4
134.77634	0.2
149.02481	2.1
150.99191	0.4
151.00389	5.6
152.00751	0.3
171.04581	0.3
175.04047	3.0
181.58327	0.2
185.06073	0.3
189.05450	0.2
195.04559	0.3
197.06093	0.3
198.03183	0.3
199.04019	2.3
201.01930	0.9
211.03879	0.3
213.05634	0.4
214.02600	0.2
215.03661	0.3
217.05058	1.3
218.05370	0.3
223.04033	1.5
224.04752	0.4
239.03658	0.3
241.05017	0.8
243.02927	0.6
251.03545	1.0
252.04305	12.5
253.04771	1.1
257.04517	0.3
267.06644	26.3
268.07007	2.2
285.04071	100.0
286.04428	8.3
309.07623	0.4
315.66238	0.2
428.30667	0.2
442.27637	0.2
574.78467	0.2
654.98059	0.2
801.39032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.7
68.41270	0.7
70.69107	0.6
71.01389	7.3
72.99329	1.8
73.02940	1.6
75.00880	1.0
81.03459	0.7
83.01420	1.1
85.02957	4.3
86.80433	0.6
87.00866	0.8
93.03482	1.0
95.01398	2.0
96.96034	5.0
98.20692	1.4
99.00872	1.7
101.02458	2.6
104.01196	0.8
107.01439	0.8
108.02185	63.7
109.02983	14.2
110.03333	0.7
110.43721	0.7
113.02508	3.6
119.05074	0.8
121.02979	2.4
123.00935	1.3
123.04549	0.9
132.39365	0.7
133.03006	1.0
134.03813	1.0
135.04535	1.8
145.02937	1.0
147.04514	1.4
149.02509	0.7
149.06021	0.8
151.04034	1.6
152.01167	100.0
153.01822	4.4
161.02414	0.9
161.04550	1.1
163.04045	5.6
168.42438	0.6
172.06766	0.7
173.02422	0.8
174.03239	1.7
175.03996	1.3
177.01950	1.3
179.03416	0.7
193.05080	1.2
195.05089	0.9
207.03075	1.0
229.59035	0.7
239.07091	0.8
249.05563	0.9
251.07214	2.3
263.07135	1.4
264.07971	0.7
267.06677	3.7
268.07230	1.3
278.06146	0.7
279.06583	3.0
280.07352	1.9
282.08987	1.9
283.09848	1.4
294.05328	1.6
294.08804	1.0
309.07669	1.6
315.07162	1.4
321.07755	0.9
323.05685	2.1
338.08051	2.8
339.08673	3.7
341.10504	0.9
353.10309	2.4
369.12030	1.2
429.10425	7.5
447.11478	22.9
448.11859	2.2
571.56909	0.8
665.17017	0.7
669.37421	0.9
707.45166	0.8
771.21338	6.3
772.21954	1.3
783.21600	5.9
784.21619	1.6
801.22504	49.0
802.22894	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	801.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	6.4
66.49168	0.9
69.55588	0.9
75.66072	0.9
78.95879	0.9
79.05544	3.4
84.66930	0.9
94.95164	1.1
107.05030	9.4
124.55611	1.0
133.53610	1.0
137.10748	1.0
139.00342	1.2
141.07153	1.2
146.46364	1.0
152.18832	1.1
153.01926	1.4
157.06609	16.9
159.04521	2.9
160.05376	1.3
161.02385	1.5
169.06558	1.3
174.03159	1.2
175.07646	17.0
179.08592	1.5
193.46649	1.1
197.06134	2.1
200.01093	1.6
201.05588	13.9
201.35770	1.0
209.11827	2.1
211.07602	1.5
213.02008	1.7
219.06509	1.4
222.78201	0.9
223.07663	18.8
224.08286	3.6
225.05634	1.2
225.09154	2.9
227.07072	8.1
228.07388	1.3
228.99416	1.1
235.07742	1.2
241.08673	2.9
251.07126	2.2
256.07367	1.3
263.07098	2.3
263.10605	1.1
264.07831	3.1
265.08252	1.0
267.06573	2.3
277.21597	1.8
289.08713	1.5
303.10300	6.1
304.11057	6.3
305.11456	1.5
337.14429	1.3
343.13528	1.3
347.20193	13.2
348.20264	1.4
371.12701	1.5
373.18069	10.5
374.18344	2.0
391.19135	13.7
409.12909	7.7
569.15570	1.1
587.24487	3.8
651.31055	1.7
663.27441	3.4
695.30273	7.6
696.30426	2.0
725.30762	4.8
726.31207	1.6
751.29346	1.3
769.30566	10.6
770.30664	4.5
783.31738	6.7
784.32294	2.1
801.32831	100.0
802.33038	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.1
59.01385	100.0
69.03463	2.9
71.01385	34.8
71.01994	1.4
72.01691	1.0
72.24193	0.9
72.99313	3.5
73.02953	9.9
75.00878	2.0
75.73835	1.1
79.81416	0.9
81.03467	3.3
83.01379	9.3
85.02962	23.5
86.00098	1.7
86.03271	0.9
87.00872	5.5
89.02452	3.7
95.01407	6.4
96.96017	5.7
97.02954	7.0
99.00879	5.6
101.02456	21.6
101.06036	1.0
105.07931	0.9
109.02979	1.1
111.00901	5.5
112.01660	1.5
113.02462	19.7
115.03999	1.1
121.02925	1.2
124.01665	3.4
125.02455	15.7
129.01917	1.0
129.36737	0.9
134.03795	1.4
137.02499	1.0
143.03546	6.8
149.31628	1.0
151.04123	1.1
152.21121	0.9
159.03017	1.8
160.01701	1.1
161.04550	3.4
172.05269	1.1
193.05002	1.3
243.51501	1.0
299.25861	2.8
345.30139	6.6
371.28732	1.1
458.68976	1.1
489.34448	11.6
507.35361	7.2
511.65732	1.1
549.36237	1.2
589.35718	1.9
597.36523	1.9
607.36987	1.3
633.38593	38.4
634.38898	8.4
651.39642	63.9
652.39886	12.4
668.78210	1.0
669.40723	13.3
670.41003	2.2
693.40698	25.5
694.41315	5.7
701.22668	1.0
711.41693	30.7
712.41974	5.7
753.42773	4.7
762.70013	1.0
797.35846	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	797.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36600	0.5
57.03454	1.1
59.01385	60.8
60.01713	0.6
60.24485	0.5
60.45786	0.5
62.10023	0.5
69.40329	4.2
71.01390	27.0
72.99319	1.0
73.02948	2.7
74.51140	0.5
75.00883	0.8
83.01404	1.3
84.23304	0.5
85.02946	4.6
86.05734	0.6
87.00864	1.5
89.01946	0.7
89.02459	10.0
92.98457	0.6
95.01396	0.9
96.96021	0.9
99.00896	1.0
99.04536	0.7
101.02445	9.4
101.06098	0.6
113.02454	6.7
115.00390	0.6
119.03541	3.6
125.02448	0.9
133.01428	1.0
136.01602	0.5
147.06653	5.3
149.04605	0.6
149.06076	0.5
149.35468	0.6
161.02492	0.8
161.04568	2.4
163.11293	3.6
164.07227	0.8
169.01677	0.7
173.04405	0.6
173.08223	1.2
181.04938	0.7
193.32594	0.5
201.07733	4.6
206.08231	0.7
207.10298	6.8
245.10350	1.0
263.11383	2.0
273.09784	0.6
305.12360	5.5
307.14413	0.6
333.11984	2.8
365.14618	0.8
373.01025	0.6
373.06699	0.6
387.16647	100.0
388.16995	8.5
409.17145	0.9
492.23654	0.6
681.19971	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	797.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99463	1.5
57.03447	4.5
59.01385	100.0
61.98829	6.8
69.03467	2.1
71.01387	35.8
71.05022	1.6
71.55008	2.7
72.99310	2.4
73.02948	10.0
75.00877	2.8
83.01405	5.6
85.02953	20.9
86.00129	1.9
87.00879	10.6
88.98820	5.5
89.02443	7.7
95.01382	4.9
96.96022	16.5
97.02956	3.1
99.00922	2.5
101.02456	19.9
111.00918	3.1
112.01650	1.6
113.02465	19.2
114.02821	1.7
119.03481	1.8
121.02930	1.7
124.01681	6.5
125.02462	13.3
130.99878	2.4
134.03787	2.2
143.03503	7.0
160.01643	1.9
161.04535	4.5
162.61012	1.6
213.16626	1.5
223.06087	1.9
236.28502	1.5
237.30112	1.4
301.27420	2.1
445.31763	4.7
463.32782	5.8
569.42889	2.0
571.35199	3.0
589.35974	24.0
590.36279	3.8
607.37073	51.9
608.37109	10.6
625.38007	20.0
626.38684	4.3
649.37903	11.9
667.39374	21.0
668.39575	5.0
797.41272	1.8
798.36353	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	795.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55883	0.7
56.64377	0.7
57.03447	2.1
58.00608	0.9
59.01386	23.9
61.98829	5.7
68.99815	1.4
69.29610	5.7
71.01015	1.4
71.01391	24.4
72.99302	2.6
73.02945	1.8
75.00884	14.8
81.13854	0.6
83.01391	3.0
85.02963	14.9
87.00879	3.9
89.02450	11.6
95.01373	4.3
96.96027	3.7
97.02960	0.8
99.00890	12.7
101.02448	13.2
109.02940	0.9
112.01657	0.9
113.02467	12.6
119.03513	2.1
139.00357	1.0
151.27556	0.7
157.01431	1.5
161.04610	1.7
172.14284	0.7
174.63464	0.7
179.93942	0.7
191.20992	0.7
229.40929	0.6
311.98459	0.7
433.15710	0.8
457.37277	0.8
529.38904	0.7
663.47662	0.8
795.45441	100.0
796.45758	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	796.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	31.5
61.24642	1.4
63.09863	1.7
71.01395	6.2
72.99310	1.9
73.02938	2.4
75.00893	1.6
80.05065	6.9
85.02953	4.7
87.00886	2.8
89.02445	3.3
94.02994	4.9
94.06032	1.5
94.06622	5.2
96.96021	8.2
101.02441	3.8
104.05067	2.0
106.06621	3.1
107.03777	6.9
108.02216	2.0
108.04559	2.8
109.02957	1.5
113.02477	3.2
122.06136	43.6
124.04062	3.6
125.83943	1.5
132.04590	2.9
134.06154	6.1
136.04036	6.2
138.05646	4.0
139.02782	2.5
147.05676	3.2
148.04044	2.5
150.05600	11.0
152.01108	1.8
152.07188	57.5
174.05688	2.6
175.05045	2.2
190.05087	3.7
201.10333	9.9
213.10378	5.3
215.12035	1.9
227.11914	5.8
229.09894	14.6
229.13411	7.2
237.10335	2.2
239.11942	7.0
241.09999	2.5
245.12973	10.9
247.10919	3.3
250.07417	1.6
255.11397	6.8
257.12979	4.4
263.08215	2.4
265.09851	3.3
267.11383	3.6
268.03787	4.0
273.12543	5.0
277.09842	2.8
278.10632	4.3
279.11508	2.2
283.06030	8.5
289.12006	3.2
301.12033	11.3
313.12030	5.2
319.13016	65.3
320.13254	6.7
323.10376	5.3
327.13596	3.5
339.09802	2.7
339.13736	1.8
355.13089	5.0
360.13446	2.2
374.15024	11.4
383.07706	2.8
391.15546	4.0
392.16187	8.7
398.19113	2.0
400.12830	2.4
403.15128	1.8
416.16110	6.4
418.13910	2.7
434.17334	4.9
513.28241	1.6
531.25952	3.3
539.23602	2.4
557.24225	15.3
558.24445	3.9
581.23871	2.7
583.22327	2.4
599.25165	46.5
600.25446	12.6
601.23071	2.3
602.23785	3.3
643.24066	95.5
644.24310	22.8
675.26746	100.0
676.26874	22.8
686.07635	2.2
752.24457	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	793.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62915	1.6
58.76598	1.4
59.01389	12.8
61.98852	3.8
71.01388	19.8
71.54630	2.2
73.02959	2.6
76.94161	1.5
85.02978	1.5
87.00860	1.9
89.02466	4.3
99.00882	2.2
101.02444	4.3
106.93827	1.6
109.06628	2.7
125.02457	1.7
125.09757	1.8
137.09732	2.1
163.11336	2.6
171.10292	24.4
172.10660	1.5
174.32016	1.4
181.08749	2.1
181.12331	2.7
182.80998	1.5
199.09737	17.9
199.13437	3.1
201.11354	27.2
207.10255	16.9
225.11334	21.5
230.26122	1.9
235.08264	8.2
243.12408	4.2
253.09306	14.1
277.21738	100.0
278.22134	11.3
280.02289	2.1
435.18671	3.7
443.19092	1.7
450.01071	1.8
461.20468	5.1
479.20926	1.8
512.74677	1.9
513.30804	2.5
695.39722	5.2
696.39996	2.0
721.41119	7.0
722.42261	1.9
739.42731	6.1
757.43915	11.7
758.44470	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	795.409
Annotation	Myriceric acid C
Peak:m/z	Relative Intensity
61.98821	9.6
70.18074	6.2
70.18491	4.3
74.21207	2.0
89.63897	2.2
98.20673	2.3
231.94757	2.2
255.23288	2.4
305.19116	4.3
328.07346	3.3
375.19455	10.0
419.20468	21.4
487.64566	2.4
657.26556	2.8
671.28632	12.8
683.28546	3.1
778.54327	2.5
795.40753	100.0
796.41095	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29104	11.2
69.58334	23.1
69.58741	62.4
81.37265	10.0
83.44894	10.2
98.20638	16.2
98.69678	10.8
209.11879	100.0
227.12871	23.1
277.21729	76.7
293.37289	12.6
315.39484	11.8
387.47821	14.5
751.14880	12.5
791.35425	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	792.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97918	0.6
57.03452	1.0
58.00605	1.0
59.01385	100.0
60.01726	1.6
69.03476	2.5
71.01390	47.1
71.55007	0.9
72.01742	0.8
72.99316	2.0
73.02954	45.7
74.03281	0.7
75.00887	1.4
77.37171	0.6
81.03452	1.2
83.01389	14.8
85.02954	5.4
85.03314	0.5
87.00882	24.0
89.02447	11.3
95.01411	2.1
96.96064	0.8
97.02985	1.9
99.00912	2.8
101.02453	40.6
102.02826	0.8
113.02455	15.9
119.03505	6.0
121.03039	1.0
122.06140	11.6
124.07712	5.1
125.02457	6.3
129.01967	0.9
131.03462	4.0
136.07692	1.5
139.07687	2.6
140.07202	1.8
143.03503	6.9
149.04575	12.3
149.05734	1.1
151.07639	0.8
152.07185	3.8
155.03540	5.9
161.04568	19.9
161.05905	1.1
163.11353	2.2
164.07190	1.3
164.11584	0.7
165.05670	1.2
166.08795	2.6
167.07195	0.9
179.05656	1.6
179.10800	1.0
179.47124	0.8
182.08267	4.9
187.60129	0.7
194.08217	17.8
195.06841	0.8
195.08546	1.1
203.05630	21.7
204.06013	1.3
218.65221	0.7
221.06670	17.4
222.07175	1.2
223.13345	1.3
225.07771	2.3
241.14519	5.5
245.48390	0.7
283.02710	1.3
284.03342	1.7
285.03952	1.1
294.44437	0.7
324.35931	0.7
341.08926	1.3
387.16614	6.9
388.16934	4.5
403.19724	14.2
404.20203	1.6
419.62463	0.7
565.56604	0.7
593.15314	1.5
594.16022	2.3
755.22510	0.8
756.21405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01390	6.8
61.98825	1.4
63.02386	2.0
68.74955	0.8
69.19408	8.3
71.01391	5.2
73.02950	1.2
75.00858	1.4
76.78506	0.7
81.03473	2.0
83.01379	1.1
85.02943	2.8
89.02450	1.6
91.01903	12.1
93.03452	4.8
96.96039	8.6
99.00884	1.6
101.02438	2.6
104.43836	0.8
108.02158	1.4
113.02458	2.4
117.03466	1.0
119.05010	1.1
121.02954	5.7
122.03744	23.0
123.04485	2.6
124.01634	1.8
125.02433	2.0
132.02188	8.3
133.02982	5.8
134.03766	19.2
135.04507	3.7
136.01686	1.6
137.02449	3.5
146.21132	0.8
149.02466	12.9
149.06075	3.4
150.03241	39.8
151.00348	1.1
151.04047	8.8
160.01671	42.7
161.02481	6.1
164.04825	2.5
165.05589	28.4
166.05911	1.1
167.08614	2.0
169.06602	6.6
169.10257	2.1
171.08127	7.6
175.04016	48.1
176.04356	3.8
178.02649	1.5
179.03474	2.5
180.04250	2.3
181.05043	2.9
193.05046	13.4
195.06618	1.2
195.08134	1.9
210.06898	1.2
211.07649	9.0
212.08249	1.9
213.09222	60.8
214.09593	5.4
227.10811	1.1
237.05527	1.2
239.07137	31.1
240.07468	3.2
257.08185	6.5
271.02515	1.2
282.08917	2.6
299.05731	1.7
300.02646	1.0
323.07785	0.9
337.09265	6.3
338.09741	1.1
341.10309	4.0
551.19336	2.2
594.17419	8.5
595.17950	4.1
609.20349	1.2
760.25012	1.1
791.25610	100.0
792.25842	27.4
792.39777	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	791.336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.2
58.00583	1.3
59.01387	40.7
61.98835	3.2
69.03486	1.4
69.17715	1.6
69.18112	11.6
71.01388	31.4
71.05029	1.1
72.99309	6.1
73.02957	14.2
75.00881	16.2
85.02961	17.8
87.00894	8.7
87.01358	1.7
89.02450	8.1
94.57672	1.1
95.01379	5.7
96.96016	12.4
98.20709	1.8
99.00895	11.3
101.02469	10.4
101.11515	1.1
106.27180	1.0
112.54338	1.2
113.02460	21.2
115.00425	1.6
116.92874	3.1
117.01945	1.5
119.03592	1.3
120.66651	1.2
125.02467	1.4
129.01941	1.8
135.04536	1.4
154.34352	1.3
160.01796	1.1
175.02481	2.1
213.09230	1.3
249.06036	7.2
267.07147	3.0
275.20151	7.8
281.04636	3.1
282.04953	1.4
293.21234	3.6
342.31265	1.2
492.03497	1.2
497.27722	4.8
584.41748	1.4
637.01556	1.3
729.33667	2.7
747.34479	100.0
748.34851	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	0.2
59.01387	2.8
71.01373	1.2
73.02961	0.6
81.03470	0.6
83.01408	0.3
85.02959	0.3
89.02452	0.7
93.03465	0.8
96.96039	0.6
101.02465	0.8
106.04260	2.8
107.05037	1.0
108.02190	0.5
113.02496	0.5
119.05043	7.9
120.05389	0.3
121.02982	0.3
129.02058	0.2
135.04529	0.6
137.06097	100.0
138.06435	5.4
149.02426	1.1
152.01100	0.2
161.04604	0.2
163.04022	1.3
164.04865	1.0
175.89722	0.2
179.07155	0.8
193.05081	0.2
195.05013	0.2
208.03694	0.8
223.06104	3.5
247.50432	0.2
271.40100	0.2
285.12497	0.6
325.09222	0.2
333.10873	0.2
341.12402	2.4
342.12714	0.3
385.11475	0.5
512.98773	0.2
629.39258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68111	3.3
59.01381	10.1
61.98843	18.4
71.01385	4.7
71.55145	4.1
89.02459	4.5
96.72234	3.7
96.96043	11.9
101.02472	4.2
108.70748	4.1
129.31955	4.8
163.11372	4.7
209.11838	100.0
210.12173	7.7
210.82352	4.6
221.15468	4.9
223.07947	4.3
227.12936	22.9
253.09323	26.1
291.19733	14.6
309.20749	85.6
310.21173	8.9
311.16714	4.7
365.13736	11.8
413.11282	6.1
445.20511	8.5
545.29492	9.1
791.39709	37.3
792.40698	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	791.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.7
59.28525	5.0
61.98831	53.4
66.32590	4.3
66.58582	4.4
86.67397	4.7
96.96036	16.3
98.19923	17.3
120.79719	4.7
123.31245	4.6
138.62910	5.3
139.07991	5.0
142.14882	4.8
149.99188	4.4
150.71254	4.9
197.11830	20.4
209.11838	100.0
210.12198	9.0
211.13396	5.8
227.12895	27.5
229.71123	7.0
253.09312	24.6
291.19724	26.5
309.20767	80.9
398.31030	5.5
545.30090	8.6
627.88226	6.1
791.39996	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	50.6
69.51238	4.4
71.01389	12.8
72.99290	1.2
73.02937	1.6
75.00856	0.8
83.01398	1.1
85.02953	4.2
86.05573	0.8
87.00882	1.2
89.02466	13.1
99.00899	0.8
99.04451	0.7
101.02440	7.3
113.02451	5.3
119.03518	3.3
121.02953	1.3
134.03821	1.0
135.04538	1.3
137.02412	1.2
140.07155	1.7
149.02429	1.6
149.04567	1.2
152.01242	0.8
153.05656	1.1
161.04619	0.8
163.04039	0.9
163.11310	4.8
164.04816	0.9
179.07103	1.2
193.01491	0.7
193.05064	1.0
206.08253	1.3
207.10284	9.0
208.03824	2.5
223.06148	3.7
224.06502	2.2
225.49857	0.7
387.16638	100.0
388.16968	11.7
401.18539	1.2
463.29523	0.8
624.80701	0.8
647.53503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98853	0.9
65.33415	0.1
71.01386	0.4
71.54910	0.1
71.55321	0.2
72.62350	0.1
72.99300	0.1
73.02927	0.1
78.95916	0.9
79.95742	4.0
85.02955	0.2
85.13914	0.1
88.08025	0.1
89.02444	0.2
90.78529	0.1
90.88773	0.1
91.83233	0.1
94.92517	0.2
96.96019	100.0
97.95957	0.3
99.00945	0.2
101.02470	0.2
115.60826	0.1
136.07697	0.5
143.71909	0.1
174.01791	0.2
209.11879	0.2
283.06183	0.2
293.21185	0.1
371.13507	0.1
379.29163	0.1
415.14862	0.2
453.09412	0.4
543.45007	0.2
609.27350	0.2
729.31116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.9727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	75.1
61.98827	3.7
62.11131	4.0
88.36362	3.4
96.96042	5.1
132.98206	6.9
159.01520	17.2
174.99251	47.3
176.71027	3.7
200.05029	3.3
201.02527	13.5
217.00327	100.0
218.00644	6.2
272.89020	4.1
288.83340	7.0
290.82773	5.7
290.97223	8.6
293.00616	3.9
298.21042	3.7
317.00366	17.1
330.84219	11.3
332.98093	28.3
337.68198	4.0
359.01224	4.5
374.99335	32.1
396.70486	4.3
404.81293	6.2
474.99307	10.3
490.82800	4.9
490.97281	9.4
542.10724	4.5
552.07294	4.1
572.95782	16.8
632.98621	4.5
646.81854	9.3
648.82141	9.9
648.96155	11.1
649.96729	3.9
730.95227	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	791.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	2.3
59.01384	31.6
61.98816	6.7
63.02417	2.2
65.93152	2.1
69.03424	2.2
69.57722	1.5
70.07520	4.3
70.07920	3.1
71.01382	18.3
72.99291	1.9
73.02942	6.5
75.00866	2.7
76.58146	1.7
81.03453	2.0
83.01382	3.4
83.05029	2.6
85.02929	7.0
87.00880	3.0
89.02464	11.1
91.01875	7.7
93.03459	6.0
95.01373	3.9
96.95455	3.0
96.96025	28.9
99.00899	3.6
100.44437	2.0
101.02450	12.3
108.02155	5.4
113.02431	7.8
119.03491	2.0
120.43538	1.8
121.02947	6.7
122.03764	20.6
123.04516	5.9
125.02460	4.6
132.02187	6.2
133.02960	4.8
134.03783	17.8
135.04526	3.9
137.02417	5.4
149.02507	15.6
149.04543	4.4
149.06056	5.7
150.03239	47.1
151.04057	10.3
160.01674	44.6
161.02301	5.9
161.04671	2.3
165.01886	2.2
165.04379	2.9
165.05600	32.8
167.03459	4.3
169.06570	6.5
171.08118	6.6
171.10237	2.8
175.02583	4.1
175.04016	51.1
176.04553	1.9
178.02737	2.2
179.03329	2.8
180.29939	1.9
181.05048	5.1
193.05070	15.4
195.06621	4.4
209.11784	2.6
211.07594	10.1
213.09233	51.7
214.09569	4.3
239.03452	2.3
239.07166	25.2
249.07053	1.8
254.25824	1.9
255.06616	2.7
257.08151	7.6
267.02948	3.4
267.06952	2.3
282.05264	7.8
285.03976	2.2
288.76450	2.2
300.02725	2.5
337.09216	7.2
442.46750	1.8
443.11398	2.2
594.17389	15.0
595.17810	7.6
775.32391	2.3
791.25403	100.0
791.38245	6.8
792.25830	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.5
59.84200	0.1
68.66644	0.2
69.03436	0.2
71.01389	2.0
71.54902	0.3
73.02950	0.6
81.03465	0.4
83.01385	0.2
85.02964	0.4
87.00882	0.3
89.02451	2.0
93.03468	0.7
94.83889	0.1
95.01397	0.2
101.02480	1.3
106.03127	0.2
106.04263	2.7
107.05081	1.1
108.02197	0.8
113.02464	0.9
117.18038	0.2
119.03609	1.0
119.05037	5.8
120.05405	0.2
121.02869	0.2
135.04485	1.0
137.06099	100.0
138.03258	0.3
138.05589	0.3
138.06444	4.2
140.01196	0.2
143.03502	0.3
149.02481	1.2
152.01190	0.4
161.04594	0.5
163.03979	1.0
164.04831	0.9
179.05634	0.6
179.07149	0.5
180.04225	0.2
193.85152	0.2
208.03854	0.5
223.06165	2.8
241.14539	0.5
337.15308	0.2
341.12384	2.5
385.11514	0.4
402.63855	0.2
403.19891	0.8
408.81143	0.2
576.22662	0.2
748.18616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.98531	0.1
62.99277	0.1
71.54745	0.2
79.95744	0.2
80.96518	0.8
82.33321	0.1
121.76247	0.1
146.14130	0.1
156.61604	0.1
209.11916	0.1
225.00746	0.2
231.23003	0.1
277.21722	0.2
384.06311	0.1
679.99536	0.1
787.40436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.4
59.01384	9.5
61.24790	1.3
65.00332	1.8
66.01190	1.3
69.40113	7.0
69.40520	2.7
71.01385	11.6
72.99306	3.0
73.02945	1.5
75.00876	7.2
81.44230	1.4
83.01390	2.1
84.02209	1.4
85.02956	15.3
87.00840	2.1
89.02451	2.8
93.03465	1.4
95.01371	1.7
96.96069	1.7
98.20668	2.2
98.79011	1.4
99.00913	8.1
101.02446	2.8
103.05534	1.9
107.01433	2.1
108.02182	2.0
119.05029	2.2
129.01949	26.4
134.03734	1.6
147.04538	100.0
148.04866	4.5
151.00421	6.8
151.07570	1.6
152.01134	2.0
153.01923	1.2
159.02992	5.2
163.00392	1.4
165.05565	1.3
177.04051	29.6
178.99863	4.0
193.05112	1.8
243.02971	4.6
255.02980	14.3
256.03464	1.8
270.99722	2.2
271.02484	26.8
272.02969	4.1
279.20425	1.7
285.04147	1.6
300.02777	57.1
301.03488	29.5
325.09299	93.5
326.09717	7.1
357.09793	2.3
463.08838	82.3
464.08997	7.4
746.76929	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	789.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.0
57.03455	1.0
59.01394	3.2
65.26826	0.5
71.01395	4.0
71.17159	0.6
71.30702	0.8
71.31047	1.2
72.99314	1.7
73.02946	1.3
81.03466	1.2
83.01401	0.9
85.02947	3.6
85.48434	0.6
89.02466	1.2
95.01383	3.1
96.96033	1.1
97.02949	0.8
99.00903	1.2
101.02472	1.4
107.01416	5.6
108.02184	58.3
109.02982	10.8
111.00951	0.6
112.65691	0.6
113.02471	2.1
119.05035	0.7
121.02977	13.8
123.00901	11.8
123.04540	1.9
123.05911	0.6
124.01689	4.9
125.02451	1.3
132.03009	1.2
133.03017	0.7
134.03781	0.9
135.00897	1.3
135.04529	1.7
137.02441	1.2
138.03246	10.7
139.00269	0.8
139.04042	6.1
149.02458	3.6
151.04047	1.6
152.01164	100.0
153.01913	5.0
153.05577	10.0
161.02434	0.7
163.04010	5.1
165.02000	0.9
166.02731	2.3
166.99857	4.4
167.03557	4.4
167.07205	0.9
168.00687	7.8
177.01936	1.2
179.03497	1.6
181.05119	1.6
182.02208	17.3
183.02995	28.9
184.03337	1.4
191.03496	0.7
194.02165	0.7
195.06715	0.8
197.04559	35.8
198.04877	1.6
205.05165	0.8
207.03043	1.2
297.06342	1.0
315.07034	1.0
329.08459	0.7
398.55408	0.7
429.10361	13.6
430.10880	1.4
443.11905	2.5
447.11395	2.8
471.11343	5.1
472.12189	0.6
609.14703	0.8
627.15710	88.6
628.16052	13.2
669.16406	5.7
670.17065	1.1
789.20776	16.1
790.21320	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	789.262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	1.2
58.00612	1.2
59.01386	7.3
61.98816	1.8
71.01385	3.2
89.02435	1.4
96.96010	11.7
113.02452	2.1
123.00845	1.3
133.02972	2.5
137.02527	1.1
149.02473	2.6
152.01167	1.4
159.08174	1.6
161.02448	19.4
163.00346	2.7
175.03999	1.2
175.07640	1.3
176.04765	1.9
177.01944	1.8
177.09213	7.2
203.07138	9.4
204.07877	1.4
209.11777	2.0
221.08139	3.2
230.39258	1.4
242.09506	4.5
267.03183	1.3
268.03732	3.1
293.11777	2.2
296.03186	3.4
301.06955	1.4
309.11279	3.2
311.05783	5.7
321.11395	6.2
336.13647	2.6
337.10950	5.9
352.13126	1.7
365.10297	26.2
366.10562	3.4
379.11731	5.4
380.12595	11.9
394.13995	1.3
395.15009	100.0
396.15494	12.0
437.15997	2.1
581.20294	2.3
583.21490	1.2
703.25940	4.8
704.26233	2.1
745.27185	44.7
746.27667	13.1
789.37189	1.3
798.08685	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	783.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	2.7
71.54951	5.5
96.96001	8.6
98.04173	2.7
107.04922	3.3
108.02172	24.5
112.98640	2.4
123.04554	14.8
124.99934	2.5
126.17788	2.6
135.04543	8.0
138.13293	2.4
156.84856	2.6
167.03506	100.0
167.04945	4.8
168.03851	4.8
183.35168	2.9
209.11835	2.5
225.09119	3.4
226.09993	5.4
265.08679	3.3
270.23749	2.8
277.16071	3.8
295.16986	7.8
356.22971	2.8
365.21164	8.6
391.19211	29.1
392.19626	3.7
409.14716	4.6
409.20209	81.1
410.20432	9.1
418.41089	2.7
502.55576	3.1
588.71722	2.6
606.86810	2.8
617.02856	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	783.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94271	2.1
65.41039	1.9
69.29988	16.3
69.30387	5.2
83.05049	2.6
86.58812	2.3
90.68718	2.0
96.96014	5.4
98.90078	2.4
107.05048	4.6
108.02191	30.7
108.87644	2.2
119.04855	2.2
123.04523	17.1
135.04520	11.5
167.03519	100.0
168.03899	4.2
169.53726	2.6
197.73598	2.3
213.09332	2.8
225.09271	3.7
226.09970	6.4
295.16992	7.3
365.21204	9.2
391.19186	27.5
392.19855	3.9
409.20230	86.9
410.20468	12.9
686.49390	2.7
783.27942	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	783.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41153	86.7
128.79204	14.5
223.07628	38.5
227.13057	14.9
277.21899	13.5
285.10394	13.8
347.20157	28.6
352.30386	16.2
391.19193	100.0
392.19388	19.5
770.80713	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	783.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.7
61.98833	4.3
68.94860	2.3
69.50223	14.3
71.01379	4.3
81.00620	2.0
82.64211	2.3
83.05037	4.6
96.96014	2.7
98.19987	4.1
108.02178	2.6
110.00056	1.9
123.04554	2.0
123.62714	2.0
145.05157	1.7
167.03439	5.5
209.11841	82.6
210.12163	5.5
225.09151	3.0
227.12958	11.8
235.08194	7.4
253.09233	7.8
277.21735	100.0
278.21915	10.0
281.08252	2.5
295.16898	2.4
311.09497	2.7
315.31549	2.3
339.16022	7.2
353.13785	2.2
354.14304	3.8
368.25824	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	785.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73094	0.6
59.01387	1.3
61.98831	2.2
71.55178	1.1
81.30150	0.7
91.01930	1.2
96.96025	1.6
101.42648	0.7
108.90211	6.8
113.02453	1.2
121.02966	100.0
121.26342	0.8
122.03271	3.3
130.31961	0.7
165.01917	3.4
181.06589	1.8
191.03569	1.9
209.04558	66.8
210.04800	3.7
225.05588	2.8
275.73413	0.9
313.07275	5.4
322.33173	0.7
357.06113	1.7
401.08749	10.3
489.07690	1.0
557.10376	0.8
691.75977	0.8
753.41095	2.1
785.16687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90369	0.6
59.01388	4.7
61.98848	0.7
63.02406	1.7
65.00359	2.3
67.36881	0.5
71.01411	2.0
71.31261	0.9
73.02979	0.8
83.01421	2.5
85.02975	0.7
89.02459	1.1
93.03465	0.7
96.96043	2.0
101.02450	1.2
107.00821	0.5
107.01395	3.1
108.02209	2.1
109.02985	1.8
113.02486	1.2
119.03522	0.7
121.03001	2.4
133.02977	0.9
134.03770	2.2
135.00958	1.7
147.04518	0.7
148.01736	1.8
151.00374	14.0
160.01698	1.8
161.02460	1.7
163.00391	3.1
163.04108	0.9
164.01047	0.6
165.05574	0.7
169.01411	0.8
175.04039	2.2
178.99893	7.1
187.03908	0.6
190.99998	0.6
192.00716	0.6
199.04047	1.4
201.01981	0.7
211.04062	1.5
215.03438	1.0
216.04167	0.8
226.02769	1.5
227.03571	3.6
229.04987	0.8
243.03000	13.6
243.05351	1.1
244.03439	1.1
245.04514	1.1
254.02245	1.7
255.03014	30.8
256.03348	3.0
271.02496	67.9
272.02979	6.8
273.04041	1.4
283.02615	1.4
285.03992	0.8
299.01968	2.0
300.02774	100.0
301.03461	39.6
302.03870	2.3
315.05444	0.9
351.10785	1.3
438.07108	0.6
463.09247	1.5
469.13531	1.3
521.18304	0.6
537.33429	0.9
571.84119	0.6
591.13409	2.4
609.14636	60.7
610.14966	11.1
623.15961	1.3
678.47870	0.6
785.19208	28.9
786.19647	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	785.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97589	0.4
59.01384	3.1
63.02413	1.1
65.00320	2.3
70.02836	0.8
70.03229	1.0
70.95569	0.4
71.01383	2.4
72.99334	0.4
73.02944	0.4
74.18343	0.4
83.01397	1.8
85.02978	1.2
89.02462	1.1
93.03465	1.1
94.42947	0.4
96.96027	2.8
98.20615	0.4
101.02451	0.8
103.31799	0.4
107.01389	4.3
108.02192	1.9
109.02971	1.5
113.02485	0.6
114.11845	0.5
119.51729	0.4
121.02962	2.9
123.00896	0.5
124.01615	0.4
125.02428	0.8
128.21133	0.4
132.02205	0.6
133.02948	1.1
134.03775	0.9
135.00836	0.8
137.02444	0.6
148.01692	1.5
149.02428	0.9
151.00374	14.4
152.00981	0.4
160.01663	1.8
161.02422	1.9
163.00369	2.6
164.01082	0.7
169.01402	0.6
175.04001	1.6
178.99881	6.8
183.04498	0.6
185.06172	0.6
187.03925	1.1
190.99898	0.6
192.00542	0.5
193.05020	0.6
198.03246	0.6
199.03993	0.8
201.00061	0.5
203.03557	0.8
211.04007	1.4
215.03514	1.1
216.04283	0.8
226.02744	2.1
227.03479	3.3
229.01436	0.6
229.05139	0.6
243.02991	13.5
244.03534	1.5
245.04568	0.9
254.02271	2.6
255.03000	30.6
256.03400	3.3
271.02490	65.5
272.02908	7.1
273.03976	1.1
281.53671	0.5
283.02515	1.4
284.03299	1.1
285.04025	0.7
299.02103	2.1
300.02768	100.0
301.03458	42.9
302.03925	3.0
313.03409	0.6
315.05011	0.8
328.05966	0.6
329.06558	0.5
343.04538	1.1
449.45224	0.4
463.08929	1.2
469.13782	0.9
527.10962	0.4
553.55621	0.5
591.13513	1.8
605.33167	0.5
609.14630	63.0
610.14990	10.0
610.24158	0.4
623.16272	1.4
625.15845	1.3
741.37958	0.6
785.19336	31.2
786.19531	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	783.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12875	1.1
59.01386	87.2
60.01755	1.4
61.98825	2.0
68.01419	1.2
68.99825	9.7
80.96532	1.8
86.28651	1.2
95.01366	1.7
96.96012	1.6
96.99320	19.6
105.28914	1.3
115.71922	1.0
124.04506	1.0
139.00378	3.5
140.98329	8.4
141.01888	7.2
154.09492	1.1
160.05203	1.2
161.05832	1.4
191.63489	1.2
209.11794	2.6
217.81746	1.3
277.21747	5.5
329.13870	3.0
330.14328	1.8
452.15201	1.7
459.07620	1.2
481.15210	29.7
482.15625	8.6
495.16953	10.4
496.17404	3.1
497.17783	2.6
514.15100	3.1
540.16553	8.9
541.16449	1.8
555.18964	31.6
556.19220	7.5
572.15588	17.7
573.15704	6.1
586.17316	2.6
587.17236	2.4
609.20129	2.7
641.22601	26.7
642.23138	10.0
701.24750	100.0
702.24890	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34787	0.5
59.01390	2.5
65.00298	0.6
69.28124	2.2
69.28551	2.2
71.01395	1.2
77.03963	0.5
79.01881	0.7
85.02954	0.6
89.02493	0.5
96.96004	1.3
97.02948	0.9
102.14123	0.4
107.01433	0.6
109.02935	2.9
119.05028	1.3
121.02938	2.0
125.02422	1.5
133.02968	11.1
134.03717	1.0
135.04539	1.3
137.02492	0.6
147.04486	1.9
149.02422	1.7
151.00331	0.6
151.03995	1.1
161.02464	1.2
163.00362	1.7
163.04045	3.1
165.01930	2.0
174.03377	0.5
175.03958	2.8
177.02023	0.7
179.03595	0.6
191.03447	1.6
193.01384	1.5
193.05011	1.0
199.03963	1.4
201.01910	1.2
211.04086	0.6
213.05533	1.0
215.03453	0.6
217.05115	0.8
225.05470	0.8
227.03722	0.7
227.07018	0.6
229.05090	0.6
231.06606	0.8
240.04335	0.7
241.05128	0.6
253.05086	1.3
255.02988	0.9
255.06628	1.0
256.03641	0.9
269.04507	1.3
271.02408	0.6
273.66467	0.5
284.03247	9.0
285.04047	6.5
289.06985	0.7
297.04065	15.3
298.04810	9.3
299.05585	17.8
300.02859	0.8
300.05951	1.9
309.03967	1.1
311.05646	1.8
312.05951	0.7
327.05103	100.0
328.05441	10.8
333.15576	1.0
339.05145	3.5
341.06470	0.6
357.06161	26.0
358.06598	3.2
369.06219	2.6
393.05960	1.0
425.20795	0.6
447.09335	87.8
448.09689	14.1
449.10034	0.6
701.00873	0.6
781.32190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.2
61.58514	0.8
61.98822	2.5
69.86407	0.9
70.55402	3.1
71.01406	4.9
73.02961	1.0
80.03613	0.9
80.96516	4.4
85.02951	1.1
89.02419	2.1
94.98075	1.1
96.96009	4.2
97.02934	3.5
98.20043	1.0
98.95589	2.4
99.00895	6.3
101.02472	3.7
109.06601	1.9
113.02459	1.5
125.09695	1.9
142.02713	1.0
163.11284	4.8
181.12364	7.7
207.10263	25.5
208.10565	1.9
225.11331	52.0
226.11671	2.5
235.08243	2.5
243.12328	6.4
253.07043	1.2
253.09300	4.7
269.25821	1.2
277.21741	100.0
278.22119	11.8
314.39618	1.1
339.16064	1.6
407.40646	1.3
408.44186	1.0
443.19467	4.4
461.20184	6.8
667.97205	1.2
711.84503	1.1
721.41797	20.8
722.41888	4.9
781.40546	4.2
782.40643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61664	1.4
57.03458	1.7
58.00584	1.8
59.01386	38.3
71.01386	23.5
71.55785	2.8
72.99311	2.2
73.02951	4.3
83.01377	3.1
85.02954	5.9
86.00096	2.7
87.00893	9.4
89.02451	21.0
94.30388	1.3
96.96011	16.4
98.95597	12.3
98.96288	2.1
98.96384	1.9
99.00877	1.7
101.02447	15.1
108.02170	1.3
109.02940	1.5
113.02448	4.5
119.03577	1.8
121.02982	1.5
125.02447	1.6
130.04271	2.1
131.03506	23.9
132.03889	1.5
133.02951	3.8
145.06596	2.4
149.02420	2.1
149.04561	13.9
157.06551	1.7
159.04559	2.6
163.07619	2.1
165.01924	2.6
167.03613	1.3
173.06084	4.1
175.04008	2.4
175.87358	1.2
177.01944	22.1
181.34615	1.2
187.04071	2.8
188.04739	2.5
191.05614	11.4
191.07201	1.7
192.04308	25.3
193.04807	2.5
201.05530	4.6
207.06676	15.2
216.04204	3.1
217.04962	6.1
236.20915	1.2
239.05916	1.4
299.02286	1.5
315.05280	1.2
323.13724	2.0
409.12973	6.0
424.11484	2.6
425.12387	13.1
426.12592	2.9
511.14554	25.7
512.15131	3.3
583.27167	2.4
719.21960	100.0
720.22186	22.5
779.30817	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	780.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	1.7
69.94643	6.5
133.94286	1.7
213.75053	1.6
307.07858	1.6
313.75333	1.3
348.14102	2.0
364.25461	1.6
365.15741	14.0
366.15775	1.7
422.17618	3.9
541.20129	3.1
603.25348	1.6
617.23920	5.2
618.24213	2.4
629.23975	2.5
631.25659	2.0
674.25623	2.0
685.29767	2.6
686.26233	3.3
714.28699	2.3
743.33563	4.6
744.33612	100.0
745.33881	28.7
762.22296	1.8
780.31244	69.5
781.31573	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	779.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	0.7
59.01389	6.1
67.92687	0.6
69.31497	4.6
71.01378	1.1
73.02964	0.8
74.02466	2.2
77.03971	1.5
79.01897	1.5
82.53662	0.6
83.18533	0.6
85.02962	1.0
93.03443	1.3
96.95963	0.8
101.02464	0.6
113.02430	0.8
116.03494	1.2
116.05096	0.7
117.03474	7.1
119.05070	0.9
121.02968	1.6
133.02888	0.6
135.04553	2.4
149.02441	1.8
159.04541	1.9
161.02487	3.0
163.03996	3.7
169.59288	0.5
191.03488	1.2
195.08101	0.5
203.08255	1.8
207.13268	0.7
214.74939	0.6
214.77084	0.6
215.12906	1.0
224.04854	0.6
239.07097	1.3
240.78107	0.6
243.06862	0.6
245.09317	5.3
261.08960	0.7
261.13617	0.8
268.03754	2.3
269.04474	1.7
281.04526	2.3
282.05161	0.8
283.06128	39.5
284.06464	5.1
293.04675	1.6
307.06290	0.6
311.05627	70.9
312.05930	7.2
314.04199	0.7
323.05792	3.1
341.06680	6.9
396.43665	0.6
429.85153	0.6
431.09833	100.0
432.10175	12.5
498.84131	0.6
526.34058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61664	1.4
57.03458	1.7
58.00584	1.8
59.01386	38.3
71.01386	23.5
71.55785	2.8
72.99311	2.2
73.02951	4.3
83.01377	3.1
85.02954	5.9
86.00096	2.7
87.00893	9.4
89.02451	21.0
94.30388	1.3
96.96011	16.4
98.95597	12.3
98.96288	2.1
98.96384	1.9
99.00877	1.7
101.02447	15.1
108.02170	1.3
109.02940	1.5
113.02448	4.5
119.03577	1.8
121.02982	1.5
125.02447	1.6
130.04271	2.1
131.03506	23.9
132.03889	1.5
133.02951	3.8
145.06596	2.4
149.02420	2.1
149.04561	13.9
157.06551	1.7
159.04559	2.6
163.07619	2.1
165.01924	2.6
167.03613	1.3
173.06084	4.1
175.04008	2.4
175.87358	1.2
177.01944	22.1
181.34615	1.2
187.04071	2.8
188.04739	2.5
191.05614	11.4
191.07201	1.7
192.04308	25.3
193.04807	2.5
201.05530	4.6
207.06676	15.2
216.04204	3.1
217.04962	6.1
236.20915	1.2
239.05916	1.4
299.02286	1.5
315.05280	1.2
323.13724	2.0
409.12973	6.0
424.11484	2.6
425.12387	13.1
426.12592	2.9
511.14554	25.7
512.15131	3.3
583.27167	2.4
719.21960	100.0
720.22186	22.5
779.30817	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	777.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.7
60.48135	1.0
63.99885	0.8
71.01379	2.4
71.54648	0.7
74.02493	0.9
78.60800	0.7
85.02967	1.6
89.02444	1.6
96.96027	13.7
98.11111	0.7
101.02459	1.0
106.06627	1.9
113.02406	0.8
119.03503	0.8
122.06129	1.4
122.47504	0.7
124.07698	3.4
132.04568	21.4
133.05367	8.8
134.03777	1.4
134.06113	2.6
141.72408	0.8
147.42317	0.8
148.04033	1.1
150.03244	0.9
150.05591	1.6
165.04332	13.6
166.04663	0.8
177.04298	2.5
178.05074	1.2
186.09251	2.1
193.05038	1.4
209.03355	3.8
213.06750	1.6
214.12396	3.3
215.11911	5.0
229.09796	2.0
241.09872	2.0
245.09178	1.0
257.12982	16.0
258.13266	1.1
281.20917	0.7
283.06033	1.6
283.10904	5.7
301.11972	8.1
302.12140	0.9
311.05588	1.9
327.09656	1.1
345.10922	100.0
346.11282	10.5
398.75894	0.9
409.16675	0.9
431.09869	3.4
451.04663	0.8
520.91968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.6
61.98830	1.2
71.01386	3.7
72.99335	0.6
73.02956	0.9
75.00856	0.8
81.23149	0.6
85.02959	1.3
87.00887	18.6
89.02454	1.8
94.06644	0.9
96.96021	3.5
101.02408	1.9
103.21855	0.6
106.06680	0.7
107.03791	3.6
108.02160	0.7
113.02453	1.9
115.00365	0.6
121.02962	0.9
122.03720	1.4
122.06143	17.3
123.04542	45.2
124.04853	1.5
130.99861	1.7
131.03511	1.3
134.06129	1.9
137.02431	0.7
139.02742	1.1
148.05269	1.1
149.04839	0.9
149.06104	11.9
150.03214	2.5
152.07185	30.0
160.01538	0.8
160.04024	1.2
165.05591	9.4
175.03999	1.3
175.98865	0.6
188.07201	0.7
190.04944	0.6
193.05057	8.4
195.03021	10.3
211.06194	0.5
214.09726	0.7
219.02995	1.5
223.06378	0.7
225.10533	0.7
237.04140	1.5
237.06487	0.9
237.10381	2.8
238.07414	1.0
251.08217	1.8
253.03583	0.8
253.09787	3.2
254.04231	0.7
255.05118	100.0
256.05447	6.0
265.06223	3.4
265.09940	1.1
266.06961	5.0
267.07697	0.8
277.06174	0.6
278.07010	1.9
279.07648	1.7
280.08597	2.5
281.09326	25.5
282.09607	1.8
285.04138	1.1
293.09366	16.2
294.09738	2.2
295.10840	0.8
313.11987	3.9
335.12601	1.1
384.63309	0.6
418.17596	0.8
419.13608	1.0
420.14041	1.5
446.17303	14.8
447.17542	2.2
478.19879	5.8
490.16263	9.6
491.16672	1.5
522.18854	44.0
523.19128	8.3
546.18909	1.9
578.21173	1.4
624.37592	0.8
657.25116	0.8
719.22015	3.8
775.21649	0.7
778.32520	0.8
779.32269	1.0
789.78473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60798	0.1
59.01381	0.4
71.01378	0.2
71.54877	0.1
78.95908	0.2
79.95744	3.2
81.24901	0.1
89.02467	0.1
96.96021	100.0
97.95939	0.4
98.33702	0.1
101.02440	0.1
108.02120	0.1
113.02423	0.1
134.03752	0.1
140.18750	0.1
165.05658	0.1
174.85031	0.1
242.94737	0.1
538.29712	0.1
775.46649	0.1
804.61139	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
57.24542	0.3
59.01384	3.6
63.02397	0.6
65.00321	1.5
65.56515	0.2
69.37404	2.1
71.01389	1.6
73.02930	0.8
75.00885	0.4
83.01395	1.3
85.02951	1.2
87.00903	0.4
89.02450	0.7
91.01908	3.0
95.01394	0.3
96.96021	1.6
101.02444	1.0
105.03481	0.4
107.01408	2.3
109.02975	1.7
113.02460	1.2
113.90134	0.3
121.02976	0.7
122.92511	0.3
123.04485	0.4
125.02455	0.5
132.02179	0.4
133.02968	13.7
134.03346	0.6
135.00896	9.6
135.04485	0.4
136.01373	0.3
137.02461	0.7
140.62820	0.3
147.04533	0.3
149.02472	2.3
151.00360	5.4
153.00711	0.4
153.01947	5.9
169.01514	0.3
171.04512	0.5
175.04036	3.1
177.01955	0.3
197.06076	0.4
199.04007	2.2
201.01958	1.2
204.45239	0.3
211.03937	0.3
213.05589	0.4
215.03511	0.4
217.05096	1.7
229.05003	0.3
239.03560	0.3
241.05045	0.8
243.03038	0.7
257.04749	0.3
267.03116	0.4
269.04355	0.4
274.61682	0.3
279.05194	0.3
285.04059	100.0
286.04416	10.7
287.05182	0.4
339.07220	10.4
340.07532	0.9
377.08575	0.3
458.40378	0.3
487.67267	0.3
733.34283	0.4
771.36249	0.3
777.34033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14226	5.4
59.01381	7.2
61.19573	6.7
61.98818	12.3
68.99582	5.2
71.01374	6.8
71.55119	6.8
74.97748	5.2
87.77470	6.0
89.02477	5.8
96.95968	10.7
98.73974	6.2
109.06583	10.5
156.63902	6.3
162.45049	6.0
171.10226	18.6
199.09724	6.9
207.10234	25.7
225.09268	9.4
225.11328	100.0
226.11765	6.3
253.09218	12.9
277.21783	91.8
278.21967	7.3
339.15942	8.0
357.16290	6.6
443.19131	14.6
461.20395	29.7
695.40436	13.4
721.42065	43.9
722.42126	9.7
775.36371	63.3
776.37006	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	775.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29816	4.2
58.52953	3.5
59.01395	4.4
61.98838	30.9
66.41546	3.7
68.75764	3.6
70.59372	11.1
71.64121	3.8
96.96023	100.0
98.95609	36.2
98.96458	10.7
106.28135	3.8
119.47150	4.0
143.41432	3.8
153.32999	4.5
188.98587	4.5
206.40659	3.4
209.11826	32.1
225.69562	4.2
227.12831	9.2
253.09254	8.7
293.21240	38.4
325.14575	4.6
327.30182	4.6
421.16425	11.0
603.49640	4.7
775.40973	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	775.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31866	1.3
61.98841	7.3
89.97771	1.5
149.10822	1.5
161.02478	2.3
171.08165	1.8
175.07703	2.2
212.49451	1.3
224.37923	1.5
225.09221	3.1
229.28752	1.8
251.14415	1.6
286.43231	1.5
287.74881	1.6
295.17010	1.8
365.15686	4.8
383.91934	1.6
391.21130	3.3
409.20255	5.5
435.20163	2.3
591.79773	1.6
595.25525	1.9
628.89569	1.6
775.36676	100.0
776.37140	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.6
61.35332	4.8
61.98827	16.7
62.00253	4.9
68.71834	4.6
68.99582	8.7
70.77509	11.6
71.01428	6.3
71.51789	4.9
73.02960	5.6
78.97885	4.7
88.54136	5.3
96.96004	8.8
103.10754	4.7
109.06594	9.0
112.98525	5.9
120.39914	4.4
171.10226	15.8
199.09782	36.7
207.10315	46.0
225.11343	57.0
253.09344	14.7
277.21744	100.0
278.22098	14.4
345.04861	5.4
359.39651	6.1
393.23212	5.3
403.08588	5.7
435.18713	7.4
443.19232	18.9
461.20258	18.5
474.20282	5.1
695.40369	53.5
696.40442	10.7
721.41602	44.3
722.41718	13.5
775.36017	26.7
776.36511	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	775.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
61.98825	0.4
69.39842	0.8
71.01392	0.2
75.69619	0.1
78.95908	0.6
79.95749	3.4
83.10896	0.1
88.61518	0.1
94.92516	0.2
96.96021	100.0
97.95958	0.4
97.96551	0.1
99.21059	0.1
153.09273	0.1
209.11971	0.2
279.23453	0.1
293.21304	0.1
315.98532	0.1
435.08011	0.2
453.09171	0.3
547.68695	0.1
715.32483	0.5
716.32819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.9953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.5
66.78475	0.7
69.46905	5.3
71.95918	0.7
90.97152	1.1
115.02511	1.6
117.00426	1.9
118.96644	0.7
132.98222	3.9
159.01498	18.8
160.01688	1.8
174.97729	1.6
174.99251	30.0
175.99515	0.7
192.95883	0.9
201.02550	5.5
217.00311	100.0
218.00568	4.1
232.98413	1.0
248.96138	1.2
274.99387	2.5
290.97168	3.1
301.02725	3.5
302.03152	0.8
312.40250	0.7
316.96738	1.1
317.00430	22.4
318.00720	2.7
325.72150	0.7
332.98206	14.7
337.68179	0.7
348.96021	1.2
359.01538	3.9
374.99261	20.0
375.99701	1.4
390.96866	0.9
459.01556	1.0
474.99399	11.8
476.00549	1.1
490.97156	4.9
532.98053	3.5
543.46594	0.8
556.98450	12.5
557.98682	2.3
570.98389	2.0
572.96173	12.6
573.95959	1.9
632.98370	6.8
714.97974	3.9
715.97577	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	773.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	32.7
59.69166	3.7
61.98825	6.6
70.00179	12.2
70.88877	3.9
71.01382	16.3
73.02953	5.7
75.10981	3.6
79.49640	3.9
83.05051	3.5
85.02950	8.5
89.02418	5.9
96.96030	39.8
99.00946	4.6
100.29927	4.3
101.02454	10.2
112.30709	4.8
113.02453	5.5
130.26855	4.1
163.11243	5.6
209.11855	100.0
210.12100	7.7
227.12866	15.8
255.03104	5.0
300.02887	4.2
352.78751	4.2
445.20560	12.1
482.77426	4.4
673.33752	5.5
720.95355	4.7
773.37177	18.8
774.37976	7.1
794.83789	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	773.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62976	0.9
55.01859	1.0
57.03444	2.7
59.01385	24.0
61.98841	1.7
64.90067	0.8
65.91617	0.8
69.22800	0.9
69.59432	1.8
69.59834	4.4
71.01388	11.0
71.04995	1.3
72.55263	0.8
73.02953	5.0
75.00886	0.9
83.01384	1.8
83.05022	1.6
85.02957	4.5
85.06621	1.0
86.77667	0.9
87.00888	2.0
88.98795	1.1
89.02454	5.9
90.02829	1.1
95.01386	1.5
96.96017	11.3
98.19930	1.7
99.00925	0.8
99.04523	1.0
101.02467	6.5
113.02467	7.0
119.03525	1.9
123.04530	0.8
125.02507	1.1
133.37047	0.8
134.03717	0.9
135.08145	1.2
137.02448	1.3
143.03493	1.0
143.07129	1.1
149.06041	3.0
150.06879	25.4
151.07504	1.3
160.01703	1.3
161.04538	1.3
162.06860	2.3
163.07674	17.5
164.08400	5.8
165.05545	0.8
167.03557	0.8
177.09261	1.8
178.10008	1.6
179.10783	13.8
187.11301	0.9
195.06708	1.1
231.32887	0.8
233.69810	1.0
267.07004	0.9
269.04587	1.1
283.03085	0.9
285.03992	1.6
297.04071	2.7
322.17868	1.2
323.18567	1.2
343.24796	2.6
345.22769	1.8
436.93961	0.9
448.86441	1.2
462.33594	3.5
463.34421	1.5
464.31345	3.5
478.32950	8.6
479.33777	6.9
480.33960	1.3
506.32587	2.3
507.33359	2.0
524.33630	3.9
525.34412	7.4
526.34790	1.5
527.25183	1.3
669.41589	5.2
687.40942	1.7
711.39362	1.1
729.40710	100.0
730.41101	22.2
773.37231	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	771.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39840	0.8
61.98833	1.0
69.40281	5.3
69.40693	1.9
85.16933	1.0
98.19878	1.8
105.73808	0.8
116.93031	0.7
145.98578	0.8
205.03168	1.7
265.05145	1.3
275.11060	1.4
295.08105	1.1
364.16016	1.3
365.15625	8.7
449.21521	2.1
617.23627	2.4
618.24426	1.1
665.29010	1.0
701.28912	1.6
713.29706	1.6
771.37091	100.0
772.37238	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.0
61.98816	0.1
68.69832	0.1
69.24965	0.5
69.25386	0.5
71.01381	0.6
73.02946	0.1
73.77513	0.1
79.95748	3.7
83.01411	0.1
84.46602	0.1
85.02955	0.2
89.02460	0.2
93.03425	0.1
96.96021	100.0
97.95927	0.2
98.19912	0.2
101.02480	0.3
113.02480	0.2
122.10637	0.1
137.02406	0.2
150.06848	0.3
179.10843	0.2
196.89995	0.1
277.01233	0.1
319.13077	0.2
446.17004	0.1
599.25208	0.2
643.24408	0.6
644.24927	0.1
668.40015	0.1
669.40338	0.1
675.26923	0.4
729.40796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70951	0.1
57.94201	0.1
70.38423	0.2
70.38817	0.3
78.95908	0.3
79.95744	3.6
79.96211	0.2
83.62864	0.1
85.25453	0.1
91.43446	0.1
96.96019	100.0
97.95960	0.3
98.20572	0.1
404.07764	0.1
559.89331	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.1
61.98825	0.2
63.15680	0.1
69.20522	0.7
69.20937	0.2
71.01365	0.2
76.62438	0.1
78.95918	0.7
79.95747	3.5
96.96021	100.0
97.95944	0.5
118.96646	0.1
137.47469	0.1
237.84166	0.1
349.17493	0.1
397.13556	0.1
407.17435	0.2
435.08032	0.1
453.09439	0.3
457.03119	0.1
713.30743	0.4
714.31879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.6
65.00343	0.3
71.01383	0.8
71.54171	0.3
73.02937	0.4
77.03355	0.2
81.03471	0.7
83.01427	0.4
85.02942	0.3
88.04344	0.2
89.02489	0.2
93.03473	0.6
96.96033	0.3
101.02473	0.6
106.04255	3.3
107.01397	0.5
107.05029	0.9
108.02200	0.7
109.02983	0.4
113.02481	0.3
118.61161	0.2
119.05042	5.7
121.02980	0.4
125.02423	0.2
133.01447	0.3
133.02936	0.3
134.03755	0.7
135.04509	0.5
137.06097	100.0
138.03354	0.3
138.05473	0.4
138.06444	4.9
146.03787	0.3
151.00383	2.3
161.04659	0.2
163.04005	0.9
175.00394	0.3
178.99879	0.7
179.03656	0.2
179.07135	0.6
181.05095	0.3
193.05083	0.7
199.04042	0.7
215.03403	0.2
216.38290	0.2
227.03510	0.8
243.03043	1.0
255.03017	1.2
271.02505	15.8
272.02826	1.2
299.01993	22.5
300.02682	9.1
301.03522	7.3
302.03931	0.8
313.03400	0.2
321.15286	0.3
341.12439	2.1
462.07953	3.5
463.08560	1.3
609.14685	10.9
610.14978	2.0
659.57983	0.2
725.10266	0.3
771.19916	14.7
772.20190	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	771.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40607	0.1
58.41887	0.1
59.01385	1.3
61.98834	0.3
71.01386	0.8
72.99271	0.1
73.02953	0.3
73.78944	0.1
78.44130	0.1
79.95747	3.6
80.78081	0.1
83.01385	0.2
85.02946	0.3
87.00882	0.1
89.02461	0.4
93.03461	0.1
96.96021	100.0
97.95969	0.4
99.92600	0.1
101.02450	0.3
113.02467	0.3
116.92839	0.3
119.03499	0.2
125.97099	0.1
129.59218	0.1
150.06891	0.2
152.07144	0.1
161.04623	0.1
163.07692	0.1
388.19839	0.1
456.86282	0.1
641.26190	0.2
642.27606	0.1
667.41089	0.2
673.28925	0.2
723.30310	0.1
727.39441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2203
Annotation	Isorhamnetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)glucoside
Peak:m/z	Relative Intensity
57.03421	1.3
59.01117	1.2
59.01388	17.0
64.95728	1.3
69.59840	3.9
69.60281	4.4
71.01389	7.6
73.02946	3.9
74.02476	5.8
74.96400	1.1
83.01419	1.9
85.02936	3.5
87.00899	1.6
89.02464	2.7
95.01443	1.8
96.96011	1.8
98.02459	2.3
98.19865	1.6
101.02471	6.9
105.93911	1.3
107.01379	3.0
113.02428	3.9
116.05038	1.8
134.03725	1.1
136.01651	5.1
137.02287	1.1
145.02957	1.3
149.04549	1.5
151.00357	12.0
151.04004	7.5
152.04362	1.8
153.14381	1.3
161.04515	2.0
169.01483	2.4
169.02901	1.4
171.04404	1.5
174.58498	1.3
178.99843	2.6
183.04506	2.7
187.03891	1.4
197.23576	1.2
199.04002	9.0
199.16441	1.2
201.01863	1.7
203.08224	5.4
215.03474	6.1
227.03510	7.6
242.02213	5.8
243.03008	38.0
244.03343	2.9
245.09361	15.5
246.09593	2.2
255.03001	19.3
257.04517	5.2
270.01639	9.0
271.02496	55.3
272.02847	5.3
285.04080	13.8
286.04666	3.9
299.01999	100.0
300.02521	18.6
314.04349	94.0
315.04962	24.3
316.05383	2.3
341.13770	3.2
352.24216	1.5
357.06024	1.4
357.13501	5.8
358.13672	4.2
359.13818	3.3
428.17899	1.4
503.18988	4.9
521.20081	2.4
563.20929	2.9
769.21783	100.0
770.22314	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	769.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09090	1.7
57.03447	3.9
59.01384	14.8
61.98835	5.6
71.01389	22.2
71.55238	2.4
72.99307	7.4
75.00882	23.5
80.19516	1.5
82.59753	1.5
83.05043	8.4
84.02197	4.2
85.02962	24.5
87.00871	8.2
89.02436	3.5
95.01392	7.6
95.72282	1.6
96.96003	1.8
99.00877	10.3
103.00370	3.3
111.00904	2.0
113.02466	22.0
115.00467	1.4
117.01991	3.1
125.09797	1.9
157.01396	1.5
163.11269	5.8
165.12837	4.3
175.02531	4.6
191.10863	2.3
203.97792	1.9
209.11839	79.1
210.12134	5.7
227.12857	4.2
236.41684	1.6
249.06050	2.4
277.21774	33.6
278.21835	2.0
308.44040	1.6
312.61121	2.4
477.19485	3.1
511.23517	1.9
719.39752	2.5
737.41174	100.0
738.41730	29.4
769.44043	59.2
770.34198	3.0
770.44995	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	769.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.8
59.01386	17.5
61.98830	9.4
69.99831	2.3
71.01396	23.6
71.55137	2.6
72.99313	8.7
75.00882	25.3
83.05015	4.8
85.02969	22.4
87.00874	9.5
89.56629	2.3
95.01398	8.3
99.00893	12.2
113.02464	33.9
117.01942	4.5
126.26500	2.3
129.01956	3.1
163.11278	3.8
175.02541	4.9
209.11853	42.4
210.12033	3.5
239.35417	2.7
249.06029	2.5
263.83585	2.5
277.21741	74.5
278.22113	6.1
285.04095	2.3
301.30316	2.4
391.19083	3.3
527.29150	5.3
653.94452	2.4
685.42157	2.4
725.30878	3.9
737.41229	100.0
738.41571	32.8
769.44318	72.1
770.33160	6.6
770.45325	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	770.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.1
61.98839	19.6
65.00317	2.1
71.54525	2.4
71.54916	2.4
85.02998	2.1
85.25176	1.6
111.90773	1.9
113.18021	1.6
119.18058	1.7
121.54310	1.7
125.02457	3.0
127.67764	1.8
129.02000	2.1
133.03029	3.1
134.31274	2.2
151.00372	5.8
171.10248	3.5
189.52226	2.0
227.03476	2.7
244.33908	1.8
256.03827	2.4
256.72815	2.1
277.21808	4.0
278.22037	1.9
284.03296	51.2
285.04056	100.0
286.04501	6.5
659.01917	2.1
682.91241	2.2
707.30719	91.7
708.31036	27.5
771.33582	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	771.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.6
70.18484	0.2
71.01396	0.7
71.54700	0.3
73.02956	0.7
81.03453	0.6
83.01380	0.4
85.02983	0.4
89.02463	0.3
93.03471	0.9
101.02441	0.6
106.04259	2.8
107.01418	0.3
107.05037	1.1
108.02198	0.7
109.02953	0.3
119.05052	6.2
134.03732	0.4
135.04523	0.7
137.06094	100.0
138.06445	4.9
146.03769	0.3
151.00365	1.9
151.79758	0.2
159.48373	0.2
161.04578	0.3
161.05980	0.2
162.53424	0.2
163.04073	1.2
175.04065	0.3
178.99867	0.6
179.07193	0.6
193.05106	0.6
199.03986	0.8
215.03583	0.6
227.03513	0.7
243.02997	0.9
250.60237	0.3
255.03032	1.2
263.95288	0.3
271.02499	14.2
272.02875	1.5
274.79303	0.2
279.14474	0.4
283.56342	0.2
299.01981	23.2
300.02676	9.2
301.03516	7.3
302.03821	0.8
321.15381	0.3
325.09241	0.3
341.12366	2.2
367.10379	0.6
462.08139	2.8
463.08685	1.5
609.04626	0.5
609.14551	11.3
610.14990	1.7
771.19965	14.2
772.20264	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	771.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55447	0.5
59.01394	3.6
65.00349	0.9
69.40713	4.6
71.01374	0.8
85.02989	0.6
96.96012	0.6
98.19921	1.1
101.02451	0.6
107.01405	2.1
109.02943	1.1
121.02992	1.3
133.02997	1.0
140.95430	0.5
147.00893	0.8
151.00395	8.8
151.06914	0.5
163.00430	0.6
170.98434	0.6
171.04449	0.6
175.00308	1.1
175.04082	0.5
178.99884	2.2
187.03920	0.8
199.04080	2.9
201.02034	1.1
207.57526	0.5
211.04025	0.8
215.03424	1.3
227.03517	3.3
229.04959	0.8
243.02991	5.0
244.03453	0.7
249.91563	0.5
255.03026	4.5
271.02499	60.6
272.02850	5.9
279.14517	0.8
283.61429	0.7
299.01993	100.0
300.02682	34.3
301.03531	42.1
302.03931	3.8
313.03384	0.8
321.15994	0.5
327.05420	0.8
343.04483	1.3
462.08026	14.1
463.08707	8.2
609.14685	38.4
610.15009	7.8
641.96295	0.5
771.19958	60.2
772.20264	14.7
773.11060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
57.03460	7.5
58.49604	1.2
59.01383	36.2
67.01889	3.5
68.99815	2.2
69.03465	9.4
71.01389	32.7
71.02257	2.5
72.99313	5.8
73.02960	15.5
73.81417	1.1
75.00883	1.4
75.27892	1.3
81.03431	6.0
83.01390	8.4
83.05016	2.4
85.02960	73.0
87.00887	100.0
88.01205	1.6
89.02460	3.7
89.22002	1.3
93.03467	3.8
95.01389	14.6
96.96036	3.4
97.02956	33.6
99.00880	3.4
99.04513	2.3
101.02454	5.4
103.04022	10.2
108.02203	1.6
109.02974	4.1
111.00909	7.6
111.01553	1.4
113.02463	40.3
115.00401	12.1
115.04024	1.9
119.03528	1.1
119.05025	5.6
121.51048	1.2
125.02454	2.7
127.04018	11.1
129.01918	3.8
135.04567	1.5
137.02478	3.6
137.06081	2.9
139.00385	7.6
143.03574	1.3
145.05093	5.0
146.03801	2.4
153.01875	1.9
153.05646	2.3
155.03523	6.1
157.01480	10.0
158.17963	1.2
159.34265	1.3
163.04007	4.3
164.04733	2.2
165.05530	1.4
167.03534	2.1
169.05072	3.4
173.04543	5.6
175.02493	47.8
175.04013	2.8
179.03535	2.4
179.07167	3.2
199.02509	20.5
217.03545	20.4
293.12543	5.1
303.07233	17.5
304.07599	1.9
321.08310	12.6
323.13300	3.3
329.13879	2.8
387.09268	5.8
417.10681	1.8
440.57697	1.3
481.46509	1.3
521.11176	3.2
551.16083	2.0
563.12726	9.8
667.17053	6.1
709.18390	70.5
710.18555	14.6
769.19989	8.6
770.20721	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	769.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
59.01384	14.9
61.98836	3.8
63.83608	0.6
69.03436	0.6
70.04367	1.8
71.01391	7.5
73.02956	3.4
75.00875	0.9
75.93203	0.7
76.98152	0.6
79.18668	0.7
83.01372	1.4
85.02971	3.7
87.00890	0.9
89.02453	3.2
95.01398	0.9
96.96013	11.0
97.30589	0.6
99.00872	1.1
99.04557	0.7
101.02447	4.7
105.03474	0.7
113.02467	3.7
119.03550	0.9
125.02477	0.8
131.03537	0.6
137.02480	0.8
145.02945	0.9
149.04605	0.8
151.04039	0.9
157.06625	3.2
161.02460	6.2
161.04533	1.8
163.07608	0.7
165.05565	0.7
170.03722	1.9
173.06114	6.1
174.06274	0.6
176.04796	2.9
179.03526	8.1
184.05286	0.6
185.06078	3.5
191.07155	1.7
194.05864	8.8
195.06218	0.8
198.03220	4.1
199.69141	0.7
203.07152	5.7
209.06186	1.1
209.08199	19.9
211.04047	0.9
213.05562	3.7
226.02739	6.2
227.00883	0.7
227.03391	1.0
231.06715	1.5
234.43561	0.8
237.66214	0.6
239.03294	0.6
241.05086	38.1
242.05461	3.3
254.02242	2.4
255.02892	0.8
269.04575	2.9
283.02444	1.0
296.03391	1.7
297.04065	29.6
298.04718	7.3
311.05716	1.9
312.06421	100.0
313.06915	16.7
426.13611	0.7
441.18527	0.9
521.14569	2.3
597.90472	0.8
665.38727	1.9
686.77881	0.8
725.20148	1.2
725.39435	2.7
769.39465	0.9
790.18512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61271	0.3
59.01377	0.5
60.53253	0.4
60.99313	16.8
62.25426	0.4
62.47834	0.3
69.61185	2.0
72.88426	0.3
87.00880	1.3
88.00415	4.0
88.98817	100.0
89.02456	10.0
89.99155	0.9
98.19865	0.3
118.02175	0.3
133.64799	0.4
259.87338	0.3
277.21713	0.5
397.13513	0.8
400.48724	0.4
410.34656	0.4
498.13971	0.4
776.38391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20003	0.3
59.01364	0.9
59.17650	0.3
59.32465	0.4
60.99314	17.7
61.98837	1.0
71.55070	0.7
87.00878	1.1
88.00414	3.3
88.98816	100.0
89.02451	10.7
89.99158	0.7
96.96014	0.7
185.59056	0.3
205.01146	0.4
225.09180	0.5
243.67642	0.3
251.10811	1.5
277.21750	0.8
294.12604	0.5
309.14923	0.5
353.13934	1.4
397.13638	1.2
790.96539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	3.4
69.51404	8.2
79.05541	1.4
83.05029	3.4
85.06590	4.7
85.41596	1.1
87.03085	1.1
95.05046	2.5
96.95987	1.6
102.58480	1.2
107.05031	10.0
119.05006	1.5
120.48648	1.2
135.04539	19.1
157.06567	2.8
171.08176	2.5
173.09746	1.6
183.08185	1.4
187.07600	1.6
189.09134	1.3
207.10324	2.6
213.09212	11.7
225.09247	11.1
226.09996	9.0
227.10844	2.5
237.09286	3.4
238.09682	1.4
249.12932	1.4
251.14453	3.7
263.14362	3.3
265.08627	3.1
267.13870	4.4
277.15955	4.0
279.13910	2.7
293.15527	3.3
295.17014	14.2
311.16531	4.1
321.18506	3.4
347.19797	1.6
355.15543	5.4
365.21265	13.0
366.21558	1.8
391.19180	71.1
392.19391	9.7
401.44098	1.4
409.20224	100.0
410.20471	11.4
508.17786	1.5
728.70306	1.3
765.36462	66.7
766.36804	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	765.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37065	0.9
61.98842	7.8
71.19424	0.9
71.55634	1.4
74.19441	0.8
85.06599	4.0
86.93060	1.1
107.05037	8.7
116.92842	1.1
117.92859	0.9
122.03813	1.1
123.08196	1.3
135.04546	24.9
138.77423	1.0
157.06657	1.1
175.07617	1.1
195.08151	1.0
213.09189	6.7
225.09239	10.1
226.10007	26.8
227.10341	2.6
237.09224	1.2
241.12378	39.5
242.12674	3.9
267.13977	1.7
269.08243	1.4
273.55377	1.2
277.16049	1.1
279.13849	2.3
293.15497	2.8
295.17133	6.9
311.16479	2.9
321.18716	1.0
339.16000	8.7
355.15546	100.0
356.15826	11.2
365.21130	2.2
373.16415	1.2
391.19226	20.7
391.24167	2.0
392.19559	2.3
409.20227	52.4
410.20615	6.3
427.21231	3.8
436.21573	0.9
765.33331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03455	2.8
58.00585	0.7
59.01388	12.6
61.98829	2.3
67.01883	0.6
68.99816	1.2
69.87412	0.9
69.87801	1.0
71.01389	18.1
72.99297	1.8
73.02930	1.3
73.87304	0.4
75.00879	14.3
79.88432	0.4
83.01388	1.8
84.02193	0.6
85.02959	19.9
86.00081	0.5
87.00866	1.3
89.02449	7.3
95.01393	3.5
96.96021	0.6
99.00890	12.7
101.02434	1.5
111.00866	0.5
112.01647	0.7
113.02460	14.3
115.00391	0.4
129.01926	0.5
131.03474	0.7
139.00389	0.9
157.01393	1.5
182.07550	0.3
289.04807	0.4
341.10300	0.4
375.80615	0.4
437.34158	0.9
457.37051	0.9
537.97980	0.4
615.39014	0.4
765.44342	100.0
766.44720	26.1
766.56036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
61.98838	100.0
62.98548	0.2
63.53540	0.1
67.00949	0.1
69.03505	0.1
69.95316	0.4
71.01398	0.7
73.02956	0.3
79.95764	0.2
83.01402	0.2
85.02973	0.4
87.00928	0.1
89.02454	0.3
96.96029	3.0
98.20845	0.1
101.02470	0.5
111.00909	0.1
113.02484	0.5
116.92926	0.1
125.02464	0.2
134.03760	0.2
163.07721	0.1
191.18275	0.1
193.05157	0.1
209.11693	0.2
282.05685	0.1
309.21066	0.1
768.41730	0.4
769.40186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01114	1.6
59.01386	23.0
61.98851	1.0
69.40197	4.8
71.01389	14.8
72.99322	2.0
73.02946	5.1
83.01408	2.1
85.02952	5.1
85.03870	0.8
86.00124	1.3
87.00887	11.0
89.02457	8.8
95.01376	1.1
96.96009	4.7
97.02934	1.2
101.02441	6.9
110.50637	0.8
111.00806	1.0
113.02472	3.5
121.03010	1.5
131.03506	20.8
133.03024	1.3
148.43665	0.8
149.02533	1.5
149.04539	1.8
159.04453	1.4
160.01611	0.8
161.02464	13.1
161.06146	1.1
163.07631	1.4
165.05527	0.9
168.60532	1.0
173.06030	3.4
173.12781	0.8
175.03911	1.3
176.04764	1.6
177.01859	0.9
187.00389	1.3
187.04018	1.1
189.05537	1.5
191.05695	6.4
201.05576	1.0
217.05052	2.1
311.05673	0.9
323.05847	1.4
337.07016	1.2
351.08667	1.5
361.07257	4.2
363.08929	1.4
376.09647	2.7
379.08289	2.2
391.11731	6.1
409.12915	5.0
557.47400	0.9
611.04419	1.0
703.22491	100.0
704.10925	1.5
704.22784	25.0
719.39160	1.0
763.38824	1.1
788.79932	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	8.6
61.98833	2.5
63.79813	0.9
65.86277	1.0
67.15217	0.9
68.99859	0.9
71.01395	4.8
71.13403	1.0
73.02974	1.5
74.30063	1.0
85.02961	2.8
88.98837	1.3
89.02446	1.1
96.96033	7.9
101.02447	2.3
107.05042	1.0
113.02441	1.6
121.02950	1.3
125.02420	1.4
134.03738	1.1
145.14627	1.0
149.02469	2.3
152.07188	1.2
159.08168	2.2
161.02454	14.1
163.00386	3.1
163.04021	1.4
175.07611	1.3
176.04846	1.5
177.01945	1.3
177.09164	5.5
185.77208	1.1
193.05136	1.3
203.07144	9.7
204.07698	1.8
221.08173	4.1
242.09477	4.0
268.03723	2.0
289.00095	1.1
296.03256	3.3
309.11258	2.5
311.05685	6.0
321.11285	5.7
326.07932	2.5
336.13541	1.7
337.10776	5.7
347.09314	1.3
365.10339	22.8
366.10693	2.8
379.12204	4.9
380.12656	13.0
381.13168	1.6
395.14999	100.0
396.15268	12.7
437.16016	2.0
512.77502	1.1
515.30389	2.4
565.24237	1.5
641.26306	3.8
703.26117	54.0
704.26349	13.4
763.42535	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	763.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25578	0.4
58.02982	8.1
59.01385	8.8
62.18530	0.4
70.02985	6.7
70.84126	1.0
72.00903	2.3
72.04555	1.8
73.99549	0.4
74.02480	45.5
75.02782	0.5
83.23743	0.4
84.04557	0.4
96.25419	0.4
97.84958	0.4
98.02482	9.7
101.02434	0.5
116.02724	0.5
116.03551	9.8
116.05068	15.6
117.05402	0.8
130.06689	2.0
130.07465	0.4
136.10025	0.4
142.06631	4.7
156.07030	0.5
159.09283	3.9
183.09222	0.5
186.05569	0.6
201.10358	4.0
203.08278	47.8
204.08612	2.2
245.09322	100.0
246.09691	7.3
429.21054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32050	0.6
68.09872	0.5
70.92094	0.9
73.01594	0.4
75.52538	0.4
75.78309	0.4
85.78176	0.5
94.44744	0.5
96.96043	2.8
105.00843	0.5
108.02187	0.6
118.00166	0.5
121.02981	2.8
122.03765	1.9
122.06119	1.7
123.00900	0.5
123.04552	0.6
131.08684	2.1
135.04533	2.2
144.05812	1.0
147.08173	0.8
149.02443	5.0
150.03239	1.4
151.04018	1.8
152.07202	3.2
157.06615	2.6
159.04552	0.9
159.08156	0.6
160.05334	1.8
161.02609	0.6
161.06097	0.8
163.04025	7.2
173.06046	1.0
175.07645	11.2
175.09079	1.0
180.05884	0.8
181.06442	0.6
185.06085	5.3
188.04832	2.0
189.05487	0.7
190.05133	2.3
191.07085	0.9
201.05612	1.0
203.07173	43.9
204.07492	3.4
205.92671	0.5
208.05322	4.8
211.07701	1.7
212.08195	0.6
213.09230	2.2
223.07822	0.8
239.07216	2.8
240.07979	3.4
241.08717	6.1
242.09422	1.4
251.07187	1.6
254.09529	10.9
255.09897	1.3
260.93460	0.5
261.09119	0.7
265.08585	0.7
276.11459	0.6
277.12204	0.5
279.10260	1.0
293.11868	1.4
294.12659	41.8
295.13028	5.7
317.19070	1.2
323.09933	0.6
335.20236	2.7
345.18607	5.5
346.18982	1.4
355.13074	2.7
361.18002	0.9
363.19684	47.0
364.19998	6.1
388.48328	0.5
389.17603	11.0
390.18030	1.8
407.18677	100.0
408.19025	14.4
572.64484	0.5
719.33240	1.1
763.12988	1.0
764.13263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88392	0.3
61.98802	0.4
64.96916	0.3
67.15838	0.3
70.25788	0.2
98.20648	0.9
98.60790	0.3
106.37711	0.3
107.05048	6.3
111.00916	0.7
116.92886	0.4
125.02532	0.4
134.03787	0.4
135.04539	19.3
136.04880	0.6
149.06078	0.7
154.99834	0.3
157.06519	0.5
175.07614	0.6
193.05107	0.9
225.09195	4.8
226.10007	26.6
227.07062	0.4
227.10419	1.7
232.08498	0.3
239.10831	0.7
241.12361	44.0
242.12737	3.5
253.04361	0.3
253.08687	0.4
259.09766	1.1
266.46140	0.4
269.08249	1.8
270.08893	0.4
278.13086	0.4
281.08261	0.8
283.09830	0.6
293.15466	2.6
299.26959	0.3
311.16525	0.9
339.15881	0.4
351.12378	1.1
355.15527	100.0
356.15857	11.8
369.59314	0.3
383.14865	0.5
391.19321	0.5
395.11258	0.9
409.20197	0.9
424.12546	0.8
425.12854	1.1
427.14041	1.8
790.76007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04850	33.4
61.98843	100.0
70.95374	29.8
71.54899	44.4
72.01712	27.0
93.25697	27.3
96.96075	43.6
141.03850	27.7
154.03841	30.0
161.30431	30.5
162.88124	29.3
163.28047	28.7
164.72823	27.1
190.88402	31.6
225.09174	43.9
225.11349	78.2
277.21838	72.9
373.56274	33.3
461.19846	46.7
721.42114	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.8
59.34169	7.1
61.98833	54.0
71.01403	8.1
71.38053	11.9
77.43541	8.2
93.29881	7.8
109.06599	15.6
117.55267	7.1
121.55462	7.3
163.11275	19.0
166.07530	7.6
207.10275	99.4
225.11392	36.9
253.09259	28.3
255.23093	10.9
277.21698	100.0
278.21918	14.7
279.67355	8.1
315.72305	8.0
443.19058	11.6
453.49860	9.3
461.20413	18.6
497.57428	8.5
530.59454	9.2
545.06598	8.5
588.55151	8.5
634.47394	8.3
717.71124	8.0
721.41974	73.9
722.42828	16.3
757.38879	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	759.0174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36932	0.5
59.01384	56.0
61.43919	0.5
69.88010	1.1
69.88382	2.7
71.47923	0.6
83.38522	0.8
90.97141	1.0
98.20596	0.7
115.02544	1.8
115.24661	0.6
117.00440	1.7
132.98222	2.7
134.05952	0.6
156.99924	0.7
157.03569	1.1
159.00185	1.1
159.01508	22.3
160.01642	1.6
167.91156	0.6
174.99255	22.9
192.95853	0.7
201.02562	11.1
201.93591	0.6
202.02715	1.7
217.00307	100.0
218.00647	3.1
259.01544	0.9
274.99380	1.1
290.97403	0.7
301.02686	8.8
302.02774	1.4
317.00443	16.6
318.00833	1.6
332.98254	4.0
359.01511	7.1
374.99289	13.4
459.01410	4.3
460.02420	0.7
474.99384	6.7
475.99652	1.0
482.24762	0.7
514.98273	0.7
517.00354	1.3
541.00861	2.5
542.00775	1.0
556.98370	14.3
557.98615	3.0
617.00366	2.1
656.96796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34664	0.4
57.03455	0.4
59.01381	5.5
65.00311	0.6
69.03476	0.9
71.01385	3.7
71.55041	0.7
72.99316	1.3
73.02953	1.2
75.91962	0.3
78.13636	0.4
81.03473	0.8
83.01418	0.7
85.02951	3.4
87.00888	0.6
89.02455	0.7
91.01926	2.0
93.03482	0.9
95.01402	1.1
96.95979	0.4
97.02959	1.0
99.00902	0.9
101.02446	1.6
107.01376	0.5
108.02186	63.8
109.02993	18.9
110.03286	0.7
111.00902	0.4
113.02453	2.0
119.05062	0.7
121.02946	2.9
122.03803	0.4
123.00911	1.0
123.04542	11.9
124.04858	0.5
125.02418	0.5
133.01480	0.5
133.03012	0.9
134.03743	0.7
135.00861	1.0
135.04565	2.1
137.02463	1.1
138.44109	0.5
138.45352	0.4
149.02478	3.5
150.03203	0.4
151.00421	0.7
151.04002	1.0
152.01166	100.0
153.01964	19.3
154.02303	0.7
161.02498	0.7
161.04625	0.7
163.04016	3.9
165.01900	0.8
166.02750	1.6
167.03514	32.7
168.03812	1.5
171.85405	0.4
175.03981	0.9
177.01929	1.5
179.03494	1.4
179.07210	0.6
181.05029	1.0
181.08699	0.8
193.05133	0.7
195.05003	0.4
195.06610	0.6
207.03012	1.3
209.04539	0.8
265.13132	0.9
266.13248	0.5
285.10379	0.4
297.06210	0.5
307.13913	0.8
309.07373	0.4
315.07288	1.5
429.10413	12.4
430.10538	1.3
443.12143	1.5
447.11432	4.0
471.11520	2.7
503.92047	0.5
519.15039	0.9
549.15967	1.0
597.14648	56.5
598.15009	8.6
611.16327	0.8
639.15472	3.4
640.15717	0.7
759.19928	34.0
760.20428	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	759.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	5.2
61.98835	10.2
65.67912	3.5
71.02527	10.6
88.23830	3.6
91.19212	4.2
96.96017	11.6
106.60619	3.9
109.84414	3.8
114.24181	4.2
114.81571	3.8
124.54543	3.8
185.23837	3.7
209.11864	75.1
210.12337	5.4
227.12920	13.2
235.08194	8.7
253.09338	15.8
277.21753	100.0
278.22070	10.6
283.85526	5.3
285.26526	4.2
610.12994	4.5
759.41693	20.3
760.42584	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	759.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	12.0
61.98841	57.1
68.99583	100.0
71.55270	7.8
71.55667	12.3
96.96015	31.3
112.98577	81.9
120.79365	10.2
227.12950	17.5
277.21716	24.4
327.77139	9.9
377.99753	9.1
398.13455	8.9
759.32361	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	761.278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	6.1
59.01385	26.0
60.46939	0.4
65.00957	0.5
69.21826	4.6
70.02985	5.3
71.01391	11.0
72.00916	1.5
72.04541	1.3
72.99288	0.5
73.02955	16.1
74.02480	37.1
74.94428	0.5
75.02775	0.8
75.25842	0.5
83.01389	5.1
83.05032	1.3
85.02953	1.5
89.02451	2.0
95.01416	0.5
98.02489	9.8
101.02452	13.3
113.02467	4.9
116.03558	9.5
116.05071	16.4
117.05422	0.7
119.03508	1.7
125.02394	0.6
130.06654	2.3
131.03499	1.4
142.06639	3.8
143.03511	1.9
149.04558	4.3
159.09264	3.5
161.04553	6.8
183.09258	1.0
186.05569	0.7
201.10326	3.4
203.08284	41.8
204.08638	2.7
221.06728	2.9
221.56052	0.6
245.09319	100.0
246.05745	0.5
246.09653	7.9
276.09125	0.5
289.08551	0.7
313.91391	0.6
566.55963	0.5
745.82690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	2.8
70.60673	1.3
76.15744	0.5
77.03933	0.6
82.95448	0.5
98.20483	0.6
105.03460	0.9
110.79778	0.5
157.06615	0.6
161.02441	4.7
183.08160	1.7
205.03099	4.0
226.82959	0.6
251.06982	0.8
253.08682	2.7
281.09961	1.3
296.08533	1.9
297.09351	4.1
305.11929	0.7
305.19000	0.6
309.09250	1.5
311.10995	1.6
328.07547	3.7
342.94406	0.7
349.12604	1.1
365.15637	3.1
375.19574	2.3
391.19193	0.9
419.20410	4.0
478.18127	0.6
527.19043	2.7
544.25067	0.5
549.17133	0.6
561.16870	0.7
563.18927	0.8
587.22644	1.2
595.25287	1.1
603.22437	1.2
613.30145	0.6
617.23682	2.3
633.22821	2.7
645.23633	0.9
671.28503	1.9
674.69397	0.6
685.29828	0.8
756.35181	0.8
757.35620	100.0
758.35962	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99177	0.7
70.65550	1.5
70.65885	0.7
74.41632	0.7
77.03990	1.0
81.73113	0.9
94.56251	0.7
103.52154	0.6
103.67842	0.7
105.03471	3.2
108.18739	0.7
117.03417	1.0
139.29028	0.6
146.71860	0.8
161.02443	8.4
173.72594	0.6
183.08144	3.7
209.09654	0.9
223.80444	0.8
251.07133	1.7
253.08748	4.4
262.33347	0.7
290.20657	0.8
297.09424	8.1
347.19577	1.1
365.15677	11.2
366.16058	1.7
391.19199	2.8
435.19876	1.7
469.10870	1.1
472.28012	0.9
527.18860	6.7
528.19177	1.2
549.17352	1.9
587.22278	1.6
603.21869	2.5
617.23480	3.6
618.24097	0.8
699.27643	1.7
757.35620	100.0
758.35913	31.6
758.49548	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	757.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41317	3.0
61.98839	37.5
70.56474	7.5
70.56851	7.0
71.01379	5.6
82.23355	3.0
87.00890	4.0
88.98833	12.7
89.02476	4.8
107.05065	3.9
109.06595	6.4
116.22842	3.1
119.75984	3.5
123.16318	3.5
135.04526	5.9
156.16319	3.5
161.02472	25.6
173.67155	3.3
175.07651	5.4
185.41771	3.2
192.46957	3.3
198.19196	3.5
207.10271	38.2
211.07622	3.4
213.09247	11.4
217.05083	4.4
225.09251	4.8
225.11327	12.2
235.08231	9.2
237.09215	100.0
238.09537	6.6
239.07208	4.7
253.09293	9.8
276.11871	5.2
277.21750	69.3
278.22125	8.8
281.08221	43.8
282.08597	5.6
285.54013	3.6
290.68457	3.7
308.94559	3.5
318.12866	3.7
322.51102	3.5
345.18594	19.6
346.19043	5.4
349.21753	22.6
363.19714	11.9
364.19986	3.7
407.18604	46.4
408.18991	7.1
431.20840	4.2
613.29327	6.4
631.30103	5.9
721.41473	27.0
722.42450	9.3
739.40234	7.5
757.41821	82.8
758.41821	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	757.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72906	0.5
59.01379	1.8
71.01387	13.4
71.54580	0.6
83.01376	0.7
85.02975	0.7
87.00890	0.6
89.03967	1.5
93.03526	0.7
96.95968	0.6
97.02985	0.6
99.00845	0.5
101.02510	0.6
107.01407	1.0
109.02973	2.1
113.02448	0.7
115.00386	5.1
117.03481	4.3
119.05051	1.0
121.02967	20.8
122.03332	0.7
123.00860	0.5
125.02432	1.5
130.02553	0.5
133.01483	0.9
133.01830	0.5
133.02965	11.7
134.03754	44.3
135.04114	1.1
137.02454	1.8
139.03986	0.8
147.04567	1.4
149.02449	1.8
149.06097	5.4
151.04028	0.8
161.02437	1.5
163.00333	1.9
163.03996	2.2
165.01929	1.7
175.02733	0.5
175.03996	2.8
177.01939	0.9
178.02719	5.1
191.03502	2.5
193.05070	70.5
194.05405	4.5
195.04926	0.6
199.04027	1.4
201.01881	1.2
211.04222	0.6
211.07826	0.7
213.05594	1.1
215.03595	0.7
219.84108	0.5
225.05531	0.7
229.04993	0.6
237.03978	4.2
240.04219	1.1
241.05060	0.8
243.03204	0.6
253.04984	1.2
255.03101	0.6
255.06551	0.7
257.04324	0.7
269.04523	1.4
281.04694	1.0
284.03284	8.5
285.04019	9.0
297.04053	16.6
298.04797	8.4
299.02170	0.9
299.05597	17.8
300.05966	1.4
309.06540	3.2
311.05527	3.3
323.05646	0.5
325.03381	0.7
327.05112	100.0
328.05466	9.3
339.05103	3.8
341.06671	1.0
345.03152	0.5
357.06186	28.9
358.06622	2.8
369.05981	2.6
429.08206	1.2
447.09357	95.8
448.09656	13.0
611.00659	0.6
640.05536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
59.01382	4.3
60.01703	0.2
61.98835	0.7
68.99564	0.3
71.01388	1.9
71.55286	0.2
73.02943	0.6
75.00888	0.2
79.95744	3.6
82.95451	0.2
83.01392	0.3
83.05038	0.2
84.13718	0.1
85.02949	0.8
87.00872	0.2
88.98823	0.3
89.02451	0.8
95.01373	0.3
96.96018	100.0
97.01720	0.1
97.95960	0.5
99.00871	0.3
101.02438	0.9
111.94930	0.2
113.02447	1.0
113.06051	0.1
119.03519	0.3
123.04538	0.2
125.02419	0.2
136.07739	0.2
136.34608	0.1
137.02426	0.2
139.07680	0.2
143.03603	0.2
143.07123	0.3
149.04567	0.2
150.06854	0.9
160.01585	0.2
161.04602	0.3
162.06897	0.2
163.07678	0.5
164.08374	0.2
167.03609	0.2
175.04079	0.1
177.09190	0.2
179.05644	0.2
179.10802	0.6
182.11414	0.2
200.14130	0.1
209.11833	0.3
273.97256	0.2
298.04840	0.4
313.07132	0.3
322.17880	0.4
323.18631	0.3
527.25690	0.2
627.25031	0.4
653.42395	0.5
659.27814	0.4
713.41345	2.4
714.41638	0.3
756.41498	0.4
757.30945	0.2
757.41730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93827	0.5
57.95330	0.4
59.01369	0.8
61.98831	1.0
67.05577	0.4
68.99580	87.6
69.03474	0.6
69.99913	0.6
71.54913	0.7
85.02985	0.4
87.00883	1.9
105.44865	0.4
111.00887	0.9
112.00390	0.6
112.98586	100.0
113.02448	1.3
113.98954	0.6
153.01999	0.6
198.27232	0.5
207.24687	0.5
215.12894	0.6
224.74017	0.4
277.21741	2.1
328.45886	0.4
495.17126	0.5
661.23328	3.9
662.23395	1.5
697.58032	0.6
755.21741	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	755.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.9
57.03445	3.3
59.01387	55.8
59.28119	1.0
69.03439	1.6
69.47311	1.1
71.01389	43.3
71.55123	1.8
72.01749	1.1
72.99316	2.6
73.02950	9.7
81.03432	1.3
83.01388	5.9
85.02962	21.3
86.00114	1.4
87.00877	4.0
89.02441	8.7
92.42133	1.1
95.01415	6.1
96.96005	1.1
97.02962	3.0
99.00349	0.9
99.00872	5.8
101.02451	27.4
111.00871	5.8
112.01669	1.3
113.02460	18.6
119.03526	2.9
123.04511	1.0
124.01656	1.8
125.02473	6.1
127.61586	1.0
129.01924	1.7
141.39063	1.0
143.03494	3.7
153.41129	1.1
159.03053	1.7
161.04565	3.3
175.04025	1.5
193.05130	1.1
248.81151	1.3
285.04141	1.7
299.25699	1.2
325.03476	3.0
345.30032	3.4
346.30270	1.3
408.39084	1.2
475.64423	1.1
489.34332	5.0
507.35297	7.6
508.35822	1.7
563.34180	3.0
651.39618	100.0
652.40088	20.9
669.40643	58.2
670.40973	12.1
711.41504	24.3
712.42383	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	755.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.0
57.03450	4.5
58.00601	1.8
59.01387	67.8
68.99840	1.5
69.03474	1.5
71.01391	41.7
72.99318	3.2
73.02959	10.5
75.00851	2.6
83.01395	6.5
85.02956	21.0
87.00895	6.3
89.02471	9.0
94.98071	1.8
95.01417	5.4
96.96012	4.1
97.02956	2.7
99.00893	6.3
101.02451	27.3
111.00874	5.4
113.02468	21.4
119.03537	2.0
125.02444	6.2
129.01945	1.8
141.28482	1.3
143.03528	3.5
149.04506	1.5
159.03033	1.9
161.04538	2.6
164.04857	1.4
175.04010	1.7
263.27570	1.5
299.25931	4.0
345.29916	3.4
359.28079	4.0
479.88431	1.4
489.34280	4.2
503.32132	1.8
507.35431	10.6
508.35703	1.8
521.33777	3.2
563.34265	16.8
564.34351	2.1
651.39557	100.0
652.40015	19.4
669.40686	64.5
670.40851	13.7
711.41248	26.1
712.40503	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.3
57.01475	1.1
57.03447	4.4
59.01386	62.2
61.98824	2.1
69.03455	1.9
70.71706	2.9
71.01389	37.5
72.99331	2.3
73.02957	9.0
83.01383	6.0
85.02959	19.8
86.00137	1.2
87.00888	3.9
89.02451	7.0
91.35475	1.1
95.01408	3.4
95.63352	1.2
96.13226	1.0
96.96024	1.3
97.02945	3.1
99.00905	3.9
101.02454	26.9
109.37829	1.0
111.00884	4.1
112.01669	1.5
113.02467	16.7
119.03484	2.0
124.01744	1.3
125.02455	4.5
129.01939	1.2
143.03516	3.8
159.02966	3.0
161.04550	4.0
170.62442	1.2
218.53284	1.1
299.02087	1.5
345.30048	5.3
489.34177	6.4
507.35449	12.0
508.35687	1.5
563.34436	1.7
651.39594	100.0
652.39990	22.4
669.40656	62.8
670.40967	16.1
711.41852	25.4
712.41980	5.8
719.22028	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85059	0.4
57.03443	1.4
59.01109	0.7
59.01383	7.8
61.98827	1.2
64.58321	0.5
70.92144	0.7
70.92469	0.9
71.01393	4.6
71.05013	1.0
73.02952	0.8
76.77422	0.4
80.02676	1.3
81.03465	1.4
83.01382	0.6
83.05035	5.0
85.02946	1.3
85.06585	1.0
87.00887	0.5
89.02458	2.7
93.82256	0.4
95.01389	0.5
95.05046	1.0
96.96040	3.5
97.02944	1.4
97.06564	0.7
97.41408	0.4
101.02431	3.2
102.81096	0.4
109.06593	1.6
111.04512	0.6
111.08173	0.6
113.02448	2.2
119.03484	0.8
119.33472	0.4
120.27103	0.4
125.09697	0.6
135.08189	0.5
137.09758	0.5
143.03517	0.5
161.04594	1.3
163.11307	3.6
165.12852	2.7
171.10278	1.9
181.12312	1.1
185.85532	0.6
191.10786	0.7
195.13916	5.3
197.11818	1.9
207.10292	0.5
209.11841	100.0
210.12167	6.6
211.13408	1.1
221.15465	3.0
223.13400	1.8
227.12904	12.9
228.13350	0.5
233.15454	0.6
235.08276	3.8
247.20679	0.8
251.16505	0.6
253.09322	14.0
271.16580	0.4
273.18594	1.0
291.19687	14.7
292.20013	1.5
293.21280	0.7
299.02054	0.5
309.20740	45.1
310.21118	4.7
359.04800	0.9
434.67676	0.5
445.20996	1.2
463.70703	0.4
501.32031	0.7
513.18549	0.5
535.51483	0.5
720.76782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
60.00476	0.7
61.87851	0.6
65.00330	1.3
67.42754	0.7
69.18759	4.4
69.19177	1.9
71.01396	1.8
73.95145	0.6
77.54700	0.7
83.01394	0.7
85.02949	1.8
93.03436	1.2
96.95987	0.7
99.00865	0.8
101.02464	0.7
107.01398	1.5
108.02202	1.4
109.02960	1.9
119.05036	1.3
121.02996	2.0
123.65945	0.6
133.02957	0.7
147.00815	0.7
149.02420	0.9
151.00368	7.1
152.01143	2.6
163.00375	0.8
163.04050	1.4
164.07172	1.7
171.04523	0.9
173.24034	0.7
175.04076	1.0
178.99825	2.3
187.04118	0.8
199.04025	2.8
201.01866	0.8
206.08228	2.1
211.04117	1.0
215.03534	1.9
227.03535	3.3
227.27939	0.7
243.03035	5.1
255.02977	6.9
256.03528	1.0
271.02490	60.8
272.02795	6.0
273.03943	0.9
299.01987	100.0
300.02661	37.7
301.03528	41.6
302.03912	3.8
350.41690	0.8
362.34512	0.7
446.08548	16.4
447.09222	9.6
448.10034	0.9
593.14697	0.9
609.04651	1.2
609.14606	29.0
610.14880	5.1
755.20374	85.8
756.20758	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	755.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.1
59.91869	0.7
62.13276	0.4
65.00339	0.6
69.26813	1.3
69.27232	2.6
73.02894	0.5
85.02948	0.6
96.96035	0.8
101.02458	0.7
107.01402	1.6
109.02974	1.0
113.20298	0.4
117.03452	0.8
119.05051	0.7
130.08740	1.4
133.02936	0.5
135.00858	0.6
138.01952	0.5
151.00362	3.2
153.02023	0.5
159.04520	0.8
163.00378	0.8
172.09785	1.5
175.02451	0.5
178.99779	0.6
183.04482	1.3
185.06091	0.6
187.04007	0.7
195.04762	0.5
200.10593	0.5
211.03983	1.7
213.05589	0.5
227.03500	11.9
228.03906	1.2
229.05061	2.3
239.03401	0.7
255.03008	43.4
256.03467	4.4
257.04681	2.2
271.02539	0.7
281.04562	0.5
283.02505	47.1
284.03253	43.8
285.04034	36.7
286.04346	3.6
297.04123	0.9
299.01877	0.6
299.05475	0.8
326.04407	0.6
327.05109	2.8
328.05457	0.7
339.05191	0.6
351.16763	0.9
357.06198	0.9
369.09805	0.5
383.07953	0.5
446.08530	4.5
447.09204	3.7
544.77246	0.6
549.12494	0.7
593.15155	100.0
594.15479	18.1
635.16504	0.9
667.20697	0.6
740.82843	0.5
741.78931	0.7
755.20471	7.3
756.21112	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	755.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	0.6
59.01381	5.6
61.34473	0.7
63.02413	0.8
65.00349	0.9
69.86841	3.2
71.01407	2.1
82.18331	0.6
83.01392	1.5
85.02979	2.0
87.00909	0.9
89.02489	0.9
92.40791	0.6
93.03444	1.0
96.96027	1.7
101.02451	0.9
102.87235	0.6
107.01411	1.7
109.02975	1.1
113.02464	0.7
117.03481	1.4
119.05054	0.9
120.24998	0.6
121.03002	1.3
125.02425	1.4
135.04631	0.7
138.01959	0.9
143.05013	0.7
151.00426	4.6
159.04405	0.8
160.92929	0.6
161.02431	0.7
163.00444	1.1
169.06529	0.9
171.04483	0.8
174.99901	0.7
175.03947	0.9
178.99820	0.6
183.04507	2.5
183.06343	0.6
185.06003	1.0
187.03987	2.1
189.05583	1.1
195.04773	0.8
199.04007	1.9
201.01996	0.9
203.03317	0.7
211.04092	2.3
213.05589	0.7
214.02753	1.1
215.03441	1.0
227.03505	14.4
228.03860	0.8
229.05023	2.5
234.33525	0.7
239.03520	1.2
241.05045	1.1
243.03061	1.8
255.03000	44.4
256.03421	3.9
257.04514	2.4
271.02499	28.8
272.02863	1.9
281.04495	0.9
283.02496	47.3
284.03256	34.7
284.06516	0.9
285.04059	90.9
286.04388	6.1
287.06631	1.3
297.07779	0.9
299.01996	53.0
300.02637	10.6
301.03464	2.4
327.05093	3.3
353.06564	1.4
369.09662	1.4
383.07886	0.7
446.08517	17.0
447.09012	5.7
593.15149	100.0
594.15515	19.9
609.14630	4.6
610.14642	0.9
635.16199	1.1
681.67224	0.9
755.20276	39.5
756.20709	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	755.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.6
59.06382	0.4
59.43412	0.4
65.00338	1.3
69.34328	3.6
69.34637	0.7
83.01357	0.5
93.03477	0.5
99.17175	0.4
107.01372	2.3
108.02174	1.7
109.02994	0.6
121.02998	1.2
135.00906	1.0
138.05725	0.5
148.01697	2.0
151.00385	5.7
163.00381	0.8
164.01192	1.0
178.99924	4.2
187.03995	0.5
192.00752	0.6
199.03958	1.1
199.13553	0.5
212.45857	0.5
226.02773	1.1
227.03542	3.6
243.00490	0.5
243.02986	12.6
244.03374	1.4
254.02184	2.2
255.03001	31.7
256.03354	2.6
271.02484	70.0
272.02936	6.7
299.01923	2.3
300.02762	100.0
301.03253	14.8
336.39337	0.5
599.71222	0.5
609.15527	0.5
755.20386	64.6
756.20844	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	755.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14302	0.7
59.01387	6.1
61.55033	0.6
70.99281	2.0
71.01369	2.9
74.65170	0.6
75.00869	0.9
81.80384	0.6
85.02946	1.7
87.00900	1.1
89.02454	1.4
93.03459	1.1
96.96022	2.5
101.02421	2.1
108.02199	0.8
109.02961	1.0
113.02477	0.8
117.03455	4.5
119.05021	2.6
121.02945	0.8
129.01918	0.7
135.04538	2.5
137.02411	1.2
137.06071	1.1
149.02467	1.3
161.02458	1.7
161.04510	0.9
163.04051	4.5
173.04529	0.8
175.04016	2.5
177.01930	1.7
178.02725	0.7
179.07121	0.7
190.33530	0.8
191.03476	1.3
195.05051	1.0
201.75414	0.6
203.03529	1.8
205.05045	0.8
227.03566	0.9
255.02965	2.5
267.06638	2.4
269.04434	0.8
281.04495	0.9
282.05426	4.2
283.02762	3.7
283.05588	3.4
284.03238	3.4
285.04083	4.2
295.06155	11.1
296.06909	41.2
297.07492	9.2
306.05127	0.8
307.06024	2.5
308.06802	1.0
309.04138	1.0
309.07593	1.2
310.08142	0.8
311.05658	3.5
323.05634	9.4
323.13266	1.0
324.06317	2.0
325.07013	3.6
328.05963	2.9
335.05624	1.5
337.06976	2.2
337.15063	0.9
349.15192	0.8
351.05157	1.2
353.02652	1.4
353.06699	17.2
354.07043	3.1
356.05212	1.7
365.06537	2.9
367.07999	0.8
371.13669	0.7
383.07678	10.9
395.07864	3.4
413.08856	2.1
425.09012	1.1
473.10962	2.8
487.12448	1.0
503.11880	1.0
515.12006	16.4
516.12390	2.7
527.11865	0.8
545.13007	8.7
546.13678	1.2
593.15167	12.0
594.15265	1.7
635.16077	7.3
636.16235	1.2
665.16888	1.0
755.20441	100.0
756.20868	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	755.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84181	0.9
59.01379	9.6
60.29130	0.9
69.25513	7.5
71.01389	5.5
73.02931	2.0
74.38836	1.0
75.00874	2.9
80.96518	1.2
83.01398	0.9
84.53588	0.8
85.02951	2.1
87.00857	2.2
89.02434	2.9
96.96026	3.7
99.00839	1.0
101.02449	2.2
106.18716	1.0
113.02470	2.4
132.33470	0.9
133.02959	1.9
137.02368	1.0
145.02931	1.6
151.00366	1.0
161.02425	3.7
165.04033	6.7
171.04495	1.2
175.03998	1.1
176.04782	1.9
179.03534	5.0
182.03712	1.5
183.04478	2.1
191.07178	1.0
194.05836	5.2
198.03305	1.6
199.03940	3.5
209.08212	11.1
211.03943	6.4
212.04620	2.3
224.04823	1.6
226.02692	3.3
227.03505	9.5
239.03471	3.4
240.04274	3.9
243.02966	1.5
253.01468	1.2
254.02232	5.4
255.03003	24.1
256.03403	2.7
267.02997	4.2
268.03781	20.0
269.04135	2.6
271.02515	8.3
272.02859	1.1
282.01746	11.4
283.02505	47.0
284.03165	9.4
285.03760	1.9
295.02603	1.3
296.03296	24.5
297.04053	55.9
298.04828	100.0
299.02060	1.6
299.05463	17.9
300.02789	11.8
300.05902	1.0
301.03534	6.8
375.27072	2.6
418.55045	1.1
463.08691	1.8
489.11865	1.7
503.32724	1.2
507.13080	7.6
519.31110	1.0
536.31531	1.4
537.32587	3.1
563.34393	1.6
577.32178	1.7
578.32556	5.6
579.33655	12.3
580.34491	1.2
609.14557	5.3
610.14783	1.2
711.37976	4.5
755.18298	3.3
755.32294	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	755.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
59.01385	10.5
62.44046	0.6
69.36769	1.8
69.37193	4.0
71.01392	5.6
72.59997	0.7
72.99317	1.1
73.02957	3.1
75.00868	2.8
83.01384	1.2
85.02957	2.6
85.03413	0.8
87.00890	1.5
89.02454	2.4
93.03480	1.1
96.96010	2.6
98.27349	0.7
99.00879	0.8
100.19147	0.7
101.02452	3.3
104.69719	0.7
109.02951	0.8
113.02483	1.6
125.02427	0.8
125.09708	0.6
133.02991	1.1
134.03729	0.8
147.02975	0.7
148.01633	0.8
151.00424	1.8
152.01259	0.8
161.02455	4.1
161.04585	0.7
165.04048	5.3
165.05310	0.9
167.04971	0.8
176.04784	2.0
178.99873	1.0
179.03516	4.7
182.03743	0.9
183.04581	3.6
191.07121	1.0
193.05009	1.1
194.05867	5.4
195.04472	0.8
198.03203	1.8
199.03998	2.8
209.08197	11.2
210.08517	1.0
211.04008	6.0
212.04643	1.3
226.02791	3.8
227.03514	10.8
228.04091	0.9
238.02745	0.7
239.03412	3.1
240.04256	4.5
243.02933	1.6
253.01527	1.1
254.02194	5.1
255.02998	24.7
256.03403	2.7
267.03018	2.8
268.03757	18.8
269.04163	2.0
271.02502	8.7
272.03070	1.5
282.01730	7.9
283.02505	40.4
284.03098	10.1
295.02359	1.3
296.03302	22.7
297.04044	52.6
297.22885	0.8
298.04828	100.0
299.05399	18.6
300.02786	13.5
300.06067	1.5
301.03543	8.2
302.03915	1.1
357.26569	1.0
373.25635	1.0
375.27332	2.7
411.10724	0.7
463.08759	1.8
503.32410	1.2
507.12878	8.0
518.30896	0.9
519.31512	1.2
536.30664	0.8
537.32721	1.5
563.34137	1.6
577.32965	1.4
578.32874	3.3
579.33569	10.9
580.34375	1.4
593.13751	2.2
594.13037	1.1
609.14667	9.1
610.15417	1.0
640.46594	0.9
710.37610	0.9
711.19055	1.1
711.37964	5.5
712.38361	0.9
755.18463	5.4
755.30286	1.1
755.39233	1.5
756.18805	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	753.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40907	1.2
55.01876	2.9
57.03447	3.4
58.00599	3.5
59.01386	83.4
61.52928	0.8
61.98861	1.4
68.99821	1.2
69.03461	2.0
69.51947	0.9
70.66306	3.1
71.01387	50.9
72.99315	2.8
73.02940	12.5
75.80473	1.1
81.03460	1.2
83.01396	7.7
85.02958	26.1
87.00912	5.7
89.02448	22.0
92.78217	1.0
93.07098	1.0
95.01384	7.6
96.95978	1.6
97.02964	3.0
98.03970	1.0
99.00898	3.5
101.02448	35.4
111.00880	3.0
111.08179	1.2
112.01680	1.1
113.02461	24.5
114.02758	1.2
119.03493	7.1
125.02472	6.2
129.01979	1.3
133.34529	1.1
141.01968	1.1
143.03497	3.6
159.03033	1.7
161.04553	5.9
179.05608	1.8
213.18584	3.6
279.46701	1.1
292.00793	1.1
343.28363	1.2
375.23785	1.8
487.32761	10.1
488.33423	2.1
502.67932	1.1
505.33835	10.4
506.34491	2.3
536.69733	1.1
623.53400	1.1
633.39410	2.4
649.38098	100.0
650.38489	22.4
651.39441	5.0
667.39124	75.4
668.39435	15.8
709.40143	27.8
710.40271	6.4
711.41400	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.4
57.03437	5.6
58.00591	2.1
59.01384	96.3
61.98828	2.5
65.34592	1.6
67.48746	1.1
69.03447	1.7
69.17929	13.8
71.01388	51.8
72.99319	3.5
73.02955	16.9
75.00871	1.4
77.32271	1.1
83.01397	11.7
85.02956	29.1
87.00907	6.2
89.02448	19.3
95.01393	4.9
96.96003	3.4
97.02956	3.3
98.20660	2.7
99.00904	7.1
100.22231	1.3
100.58973	1.3
101.01794	2.6
101.02452	40.4
101.12284	1.3
102.02808	1.7
104.24741	1.3
104.32763	1.5
111.00861	5.7
112.01716	1.7
113.01721	2.3
113.02457	28.3
115.03873	1.2
119.03541	6.3
121.27184	1.2
125.02425	8.1
126.17591	1.3
127.94473	1.2
129.01926	1.5
130.55843	1.3
142.07309	1.3
143.03487	4.9
148.29053	1.5
159.02983	2.6
161.04527	5.5
179.05563	2.2
221.08200	1.3
328.10300	1.3
342.62994	1.3
343.28571	3.1
344.00641	1.2
345.30502	1.2
356.04456	1.2
366.64359	1.4
375.23993	1.6
390.94113	1.3
487.32843	13.8
489.34100	1.5
505.33823	11.8
506.33948	2.2
528.03040	1.5
564.86493	1.4
633.38605	7.3
634.38885	1.4
649.38013	100.0
650.38385	26.1
651.39343	8.6
652.39819	2.9
667.39209	67.8
668.39551	16.3
669.40533	2.8
693.40417	3.2
709.40247	26.0
710.40125	5.4
711.41547	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	753.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47480	0.4
58.02980	1.2
59.01390	4.5
60.32808	0.6
62.87330	0.5
65.00321	0.8
70.02982	0.7
71.01385	1.4
74.02478	5.3
83.01401	0.6
85.02958	0.7
85.55917	0.4
98.02492	1.2
101.02448	0.5
107.01413	0.8
108.02208	1.0
109.02963	0.9
113.02454	0.7
116.03529	1.4
116.05066	2.6
121.02942	1.5
135.00859	0.8
135.04495	0.6
142.06651	0.9
148.01646	0.7
151.00380	7.8
159.09242	0.6
163.00352	1.6
178.99838	3.6
179.03452	0.7
192.00650	0.8
194.05875	0.9
201.10468	0.8
203.08269	6.4
209.08183	1.6
226.02635	0.8
227.03444	2.2
243.03024	5.9
245.04643	1.0
245.09317	13.0
246.09688	1.0
254.02213	1.4
255.02995	15.9
256.03397	1.1
271.02490	33.2
272.02875	3.2
289.03879	0.9
300.02771	64.3
301.03473	36.0
301.10931	0.6
302.04031	2.7
343.04468	0.6
463.08841	100.0
464.09189	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	753.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
70.01692	2.3
70.02115	1.5
71.01376	1.3
72.24467	0.7
96.96030	1.2
97.16681	0.7
98.54633	0.8
107.01383	1.0
109.02952	1.1
133.02965	6.6
135.04518	1.0
138.05621	12.3
157.81572	0.8
163.00352	1.5
163.04031	2.0
175.03987	2.7
177.01799	1.0
183.40543	0.9
191.61389	0.9
219.35371	0.8
228.25658	0.8
241.01323	1.4
241.05086	1.0
261.12366	1.4
269.04459	1.2
279.12772	0.8
283.02399	0.9
284.03183	5.0
285.04022	10.7
286.04340	1.0
297.04050	15.3
298.04755	11.8
299.02151	2.0
299.05539	10.6
305.11447	7.7
311.05457	2.8
325.03394	1.8
327.05096	46.6
328.05368	5.3
339.04993	3.8
357.06180	33.9
358.06528	3.0
369.06033	1.3
378.05249	0.8
380.14322	0.9
399.07648	0.9
429.08212	3.6
447.09341	100.0
448.09656	11.5
753.18237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
59.01380	14.5
61.98819	2.9
62.76266	2.4
70.48335	5.7
70.48704	4.6
71.01396	20.4
72.99318	7.4
73.02951	2.9
75.00883	25.1
76.77422	2.6
85.02966	26.1
87.00883	9.9
92.31155	2.8
95.01382	6.8
99.00890	10.2
103.00400	2.8
109.06624	5.1
113.02469	35.7
117.01955	3.2
157.01407	4.3
171.10295	24.1
175.02493	5.6
199.09740	5.2
202.80978	2.4
207.10292	5.9
215.35782	2.4
225.09334	3.1
225.11377	6.9
249.06219	4.7
255.23314	100.0
256.23666	9.7
339.15894	2.9
426.20093	5.9
427.20099	3.9
505.30270	7.1
659.40283	28.3
660.40448	8.8
687.39655	26.9
688.39783	8.4
713.41382	39.8
714.41498	10.9
731.42535	22.4
732.42438	4.3
749.42548	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	751.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
61.98833	0.5
67.80809	0.1
71.55032	0.2
71.55436	0.2
78.95908	0.7
79.95745	3.3
87.83329	0.1
94.92534	0.2
96.96020	100.0
97.95963	0.4
104.57394	0.1
112.98495	0.2
116.30483	0.1
161.02409	0.2
175.07611	0.1
201.05653	0.2
219.06818	0.2
248.64034	0.1
314.21692	0.1
364.85260	0.2
372.56467	0.1
397.13193	0.2
453.09250	0.3
691.32611	0.5
751.28040	0.4
752.28345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97074	1.2
55.01872	2.2
58.00590	2.4
59.01388	42.2
61.98819	5.5
61.99103	1.2
69.03477	1.3
69.81049	4.1
69.81459	2.6
71.01388	32.6
71.05042	1.9
72.99323	2.1
73.02942	5.5
83.01398	3.9
85.02950	5.9
87.00898	7.4
89.01934	2.3
89.02454	27.4
95.01411	1.7
96.96073	2.8
97.02951	4.8
99.00887	2.2
101.02451	25.7
102.84148	1.2
113.02463	11.3
119.03489	8.1
120.71792	1.2
125.02438	9.3
129.35381	1.4
143.03552	6.0
160.64490	1.3
161.04552	4.9
161.37407	1.1
165.74902	1.3
173.49194	1.3
179.05579	5.3
209.11899	1.4
223.16927	1.6
235.08202	11.2
235.17050	17.7
236.17380	1.4
253.09323	2.3
275.17389	1.5
275.20175	18.9
276.20569	1.9
287.07715	3.5
293.21268	80.4
294.21561	8.4
305.08762	3.0
305.86749	1.1
320.40265	1.4
397.13528	100.0
398.13879	10.7
415.14612	43.7
416.14920	4.5
651.79089	1.4
691.35413	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.31728	0.3
55.69249	0.3
57.03454	0.7
58.00624	0.3
59.01385	21.0
60.01714	0.4
61.98837	2.8
65.00347	0.3
69.03450	0.5
70.92259	0.7
71.01389	10.1
72.01706	0.3
72.99289	0.7
73.02949	2.9
75.00876	1.0
81.03456	0.3
83.01385	2.0
83.05042	0.3
84.67776	0.3
85.02961	5.3
87.00909	1.4
89.02462	3.4
95.01404	1.2
96.96020	4.0
97.02966	0.7
98.95602	1.2
99.00883	1.4
101.02454	6.4
111.00932	0.6
113.02462	6.6
119.03498	1.6
125.02444	1.4
131.03503	0.3
132.02065	0.3
133.02940	0.5
141.01915	0.3
143.03503	1.3
149.02435	0.3
151.04077	0.4
160.01646	0.6
161.02495	2.3
161.04576	1.3
167.05057	0.6
176.04793	0.7
179.03539	2.0
179.05609	0.5
183.04482	0.7
184.05261	0.5
191.07155	0.5
194.05850	2.0
195.04546	1.8
196.05167	0.3
209.08191	4.5
210.08510	0.4
211.04007	2.1
212.04662	1.4
215.03563	0.4
223.03998	1.2
224.04788	1.1
230.91919	0.3
239.03531	4.0
240.04256	2.1
241.05124	0.4
249.06331	0.4
252.04152	0.3
267.02982	2.7
267.07257	0.4
268.03784	1.8
269.04404	0.7
295.02560	0.9
296.03275	100.0
297.03790	14.4
298.04498	0.4
300.28305	0.3
403.60202	0.4
487.10480	0.6
487.32904	1.2
503.32782	0.3
505.11539	4.0
505.33899	1.2
506.12012	0.6
528.65076	0.3
561.32843	0.3
632.37451	1.2
633.38544	1.4
649.38141	9.2
650.38593	2.5
651.39307	2.4
667.39209	6.8
668.39435	1.2
669.40411	0.5
693.40033	0.7
704.28125	0.3
708.37622	0.4
709.17590	0.6
709.40417	2.2
710.40942	1.0
711.41486	0.8
752.38306	0.8
753.39984	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	749.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60010	1.4
87.04539	1.4
104.58932	1.2
107.05062	1.4
121.06586	1.3
135.04518	6.8
143.10880	1.2
148.96178	1.3
149.06259	1.4
192.21783	1.4
213.09200	3.3
225.09219	36.1
226.09734	5.8
237.09198	9.7
249.88188	1.3
295.17041	50.1
296.17554	6.0
307.16943	1.8
337.98624	1.4
339.16016	100.0
340.16342	15.3
365.21207	4.0
383.22397	2.6
391.19104	14.0
409.20221	80.0
410.20569	11.9
427.21271	38.8
428.21460	4.4
436.54620	1.4
567.83240	1.6
574.51038	1.5
749.36963	5.3
750.37140	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	749.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46290	0.7
54.58779	0.8
58.05811	0.7
61.98818	2.0
76.88099	0.6
83.05022	1.3
85.06603	4.9
86.05762	0.8
107.05051	4.3
107.97733	0.6
110.86198	0.7
122.03731	1.5
135.04536	9.1
136.04785	0.7
149.02451	0.8
169.06557	1.1
171.08148	1.3
173.09717	1.1
183.08157	0.7
189.09221	0.8
195.08188	0.9
211.07712	0.8
213.09204	6.7
225.09233	22.1
225.11377	1.4
226.09761	5.3
227.10753	0.8
237.09172	4.4
249.13080	1.0
251.14517	1.1
261.12787	1.2
263.14581	0.9
265.08542	1.6
267.13919	4.1
277.16046	1.8
279.13937	2.7
295.17047	27.6
296.17322	3.3
321.18579	1.6
339.16025	55.8
340.16370	9.0
341.16385	1.1
347.20013	1.6
365.21210	3.9
391.19162	29.4
392.19403	3.6
408.18991	1.7
409.20221	100.0
410.20514	16.3
427.21271	5.6
512.77600	0.8
722.03052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76067	1.6
55.01876	3.1
57.03446	5.7
59.01386	55.6
61.98817	4.3
68.56959	1.4
69.03447	2.0
71.01390	26.0
72.99324	3.7
73.02972	8.4
75.00893	1.9
83.01405	6.8
85.02962	20.2
87.00903	3.9
88.98801	6.3
89.02459	6.7
95.01387	4.9
96.96040	12.9
99.00875	4.5
101.02461	17.3
113.02467	15.9
119.03487	2.5
125.02460	3.8
127.04016	1.7
137.02373	1.8
143.03569	2.2
160.01685	1.9
161.04568	3.0
192.60373	1.5
208.37457	1.5
219.15913	1.4
219.78935	1.6
325.25253	2.3
377.41495	1.8
455.23300	1.6
457.33493	12.6
485.31360	3.0
501.32248	23.9
502.32559	4.6
573.29059	4.4
601.37952	8.5
602.38025	2.3
629.35114	7.6
645.36444	100.0
646.36829	21.2
647.36395	11.3
663.26062	2.3
663.37506	48.3
664.37817	11.5
665.36981	2.8
705.39130	14.4
706.38733	5.4
707.38654	2.6
749.37170	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	749.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50852	0.8
55.01879	2.3
57.03447	3.5
59.01385	35.9
61.98825	1.3
68.99782	0.8
69.03474	1.3
69.69444	5.1
70.36871	0.8
70.47295	0.7
71.01392	27.6
71.01785	1.6
72.01718	0.8
72.99313	4.7
73.02950	4.4
75.00877	13.5
83.01401	1.9
83.46178	0.9
85.02958	21.8
86.06924	1.0
87.00888	7.5
89.02460	5.5
95.01389	4.4
96.96009	4.2
99.00888	11.3
101.02454	7.1
103.00368	1.0
111.00871	1.3
113.02459	22.6
115.00359	1.6
117.01957	2.1
125.02434	0.9
129.02000	1.4
134.03731	1.1
161.04616	1.3
164.97995	1.0
175.02451	1.8
213.09258	5.7
249.06139	9.8
267.07254	9.9
291.19958	0.9
382.78970	0.9
419.13687	1.4
455.22888	3.3
458.56760	1.0
483.13708	1.0
663.28394	1.7
680.46625	1.0
687.28790	1.4
705.29779	100.0
706.30243	19.6
749.34155	1.6
750.26239	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	749.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	0.2
71.31654	0.2
72.28783	0.2
76.01839	0.2
79.88228	0.1
95.01384	0.5
99.75217	0.1
107.05045	0.5
111.00900	0.7
119.05061	0.2
120.35513	0.1
122.28741	0.2
133.02937	0.3
134.03770	0.9
136.98885	0.2
137.02502	0.3
141.07205	0.2
146.03801	0.2
149.02472	1.0
149.06093	2.1
150.93127	0.2
157.06610	0.4
161.02452	0.9
175.07648	1.1
189.09201	0.2
191.10693	0.2
193.05037	0.2
201.05627	0.4
211.11342	0.2
212.02223	0.2
215.07236	0.2
217.08714	0.2
223.07622	0.3
225.09222	38.8
226.09543	2.8
237.09221	9.6
237.11678	0.3
238.09558	1.0
239.10808	0.5
240.11470	0.3
241.08679	0.8
243.10281	0.3
253.08783	0.3
259.09744	0.9
265.12292	0.3
269.08316	0.3
272.10620	0.6
279.14035	0.4
280.14932	0.2
281.08191	1.3
282.08447	0.3
285.07825	0.3
295.17047	39.7
296.17413	5.1
296.19901	0.1
311.09332	0.4
319.09702	0.3
323.12952	0.2
339.16016	100.0
340.16357	13.3
351.12274	1.7
383.14951	0.6
395.11398	0.7
397.09155	0.3
409.20261	0.4
427.13849	1.3
447.86606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97941	0.5
59.01384	4.2
61.98835	0.9
71.01384	2.7
72.99329	0.7
73.02960	0.7
79.95769	0.6
83.01389	0.8
85.02962	1.3
87.00879	0.7
89.04000	0.5
93.03475	1.1
96.96018	6.0
97.03013	0.5
98.19878	1.1
99.00877	0.8
101.02446	1.4
113.02454	1.5
119.04970	0.5
121.02973	12.4
125.02469	0.6
132.02177	1.1
135.04478	0.6
147.04581	2.8
148.05307	9.5
149.02452	59.5
150.02740	2.5
152.01164	0.6
161.04576	0.6
163.04022	1.2
163.07681	6.8
164.04808	45.2
165.05133	3.0
175.00391	3.6
175.70091	0.5
179.03142	0.5
179.07146	3.7
189.39211	0.4
190.02728	6.5
191.03117	0.5
192.47701	0.5
193.01357	0.7
205.05077	10.1
208.03818	2.2
223.06125	100.0
224.06462	6.3
333.13828	0.5
439.16177	0.9
457.17285	0.6
499.18259	1.6
543.31433	0.7
705.24323	1.9
749.35889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64427	0.9
55.01886	1.2
57.03433	2.9
59.01389	10.2
65.79243	1.0
71.01019	1.2
71.01389	19.7
71.31721	1.3
72.99326	5.1
75.00480	1.2
75.00884	19.3
81.03442	1.2
83.01385	1.4
84.02171	1.5
84.23368	0.9
85.02965	22.8
87.00883	8.2
87.39940	0.9
89.02438	3.1
95.01394	6.1
95.59315	0.9
99.00889	12.0
103.00371	2.0
113.02459	20.8
115.00373	2.5
116.50099	0.9
117.01936	2.6
129.02014	1.0
147.49249	1.0
163.11243	3.7
165.12854	1.9
175.02477	3.8
209.11848	35.7
210.12161	3.7
223.08180	1.0
227.12912	2.4
249.06139	2.1
255.23315	88.0
256.23651	8.1
503.76849	1.1
505.30283	3.8
651.21179	1.0
697.41895	2.0
715.42792	100.0
716.43201	27.3
738.60010	1.1
747.45416	70.7
748.45660	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	745.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42229	1.6
61.98819	5.6
62.59999	1.8
69.20909	17.1
76.28873	1.6
82.74989	1.8
93.43075	1.6
108.02161	2.3
109.13012	1.7
109.78188	1.7
116.92891	3.1
119.05032	6.0
143.05020	2.7
145.06557	2.9
147.04468	2.4
171.04547	10.7
173.06070	2.1
175.07625	2.0
187.03993	2.5
212.08435	3.8
225.09126	5.7
227.10712	10.3
229.05127	2.1
234.10457	2.9
237.09210	1.9
253.05116	1.7
267.06772	2.7
271.09741	3.8
293.11679	2.2
295.17114	3.7
296.84097	2.0
329.12091	1.9
333.11267	2.2
339.15988	4.8
391.19217	2.5
415.11972	1.8
415.19275	4.6
423.18256	2.4
455.14975	4.8
455.23508	1.9
469.16367	2.1
471.25439	3.0
509.43161	1.8
519.17487	2.1
559.21442	2.2
642.35297	1.9
643.30780	7.1
644.30768	2.3
683.33435	4.8
687.29706	42.6
688.30090	11.1
701.35284	3.8
727.32904	6.9
745.33740	100.0
746.34058	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	4.4
65.00339	2.2
68.99846	3.7
71.54155	2.0
71.54533	1.8
75.80814	1.4
76.41267	1.4
126.73135	1.7
140.93526	1.4
143.05077	1.9
153.65244	1.8
169.06639	1.7
171.04541	10.3
173.06055	2.0
187.04306	1.9
195.11008	1.4
212.08440	4.2
225.09311	1.8
227.07115	1.6
227.10757	7.9
229.05066	1.7
234.10640	2.3
240.51886	1.5
250.92336	1.7
271.09787	5.2
277.08716	2.2
281.24841	2.7
281.92212	1.7
293.11905	2.6
309.34763	1.7
315.10095	1.5
319.09729	2.2
333.11398	3.5
391.19199	4.6
415.19104	4.3
427.11572	1.9
453.16922	2.7
455.15424	2.0
471.25583	3.3
483.77625	1.5
643.30829	9.7
683.33746	3.0
687.29742	37.5
688.30249	10.8
701.35083	5.2
727.32996	5.5
728.33380	3.2
745.33856	100.0
746.34015	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
66.18835	1.8
96.96024	2.2
98.19888	4.3
219.67093	1.7
336.60202	1.8
369.52408	2.2
370.12845	1.7
388.18619	1.7
455.16751	2.1
473.18478	5.3
497.14575	2.4
511.16187	1.8
512.13141	10.2
526.14893	12.1
527.14917	3.9
599.16956	2.6
601.19446	4.0
614.20209	83.1
615.20532	24.3
632.17297	1.9
646.19366	9.8
673.22040	2.2
687.22821	6.7
688.23383	1.9
747.25269	56.9
747.38782	2.9
748.25684	25.5
768.75049	1.7
772.29688	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	747.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96045	0.6
58.18921	0.5
61.98836	1.2
65.40077	0.6
71.54802	0.5
71.55161	0.7
78.95930	0.6
94.38692	0.6
96.96012	1.2
105.03484	0.9
107.05069	1.1
135.04544	1.9
149.02422	0.7
155.10820	0.9
161.02443	2.2
162.03200	0.9
167.42964	0.6
173.09715	1.8
183.08144	0.6
209.09692	0.9
211.07700	0.8
213.09235	1.9
225.09219	18.1
226.09698	2.2
227.10773	2.3
237.09265	4.4
239.10774	1.3
253.08731	1.7
269.08148	1.5
279.13736	2.0
281.08221	15.3
281.15533	1.4
282.08765	1.7
286.12280	0.9
295.17056	12.4
295.20309	0.5
296.17447	1.0
299.09143	4.8
301.12119	0.9
323.12949	2.0
329.15607	0.8
339.16022	22.2
340.16351	2.2
345.18613	33.5
346.18771	3.1
361.18063	1.3
363.19656	15.6
364.19949	2.0
379.19214	6.5
380.19571	0.9
381.20731	19.4
382.21130	2.4
389.17551	2.1
407.18631	15.5
408.18976	3.0
423.18048	1.9
425.19724	100.0
426.20020	12.9
455.98862	0.7
614.41296	0.7
618.26752	0.6
693.30426	0.7
747.30597	0.8
748.31750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
61.98831	0.7
71.01403	0.7
73.02967	0.4
77.04335	0.3
77.55785	0.3
85.02991	0.6
87.00883	0.5
89.02453	0.4
93.35261	0.3
95.01429	0.6
96.96028	0.9
98.19875	0.7
101.02483	0.4
103.04057	0.4
107.05030	0.3
108.02205	0.9
109.03004	0.5
113.02428	0.3
116.37478	0.3
117.03477	0.3
121.02966	1.0
122.03764	0.6
123.00919	0.9
133.02983	2.8
135.50916	0.3
136.01663	0.6
138.03223	0.4
145.02969	0.3
146.66216	0.3
148.01761	0.3
149.02455	2.8
153.01929	0.3
157.06615	0.6
159.04576	1.0
159.08221	1.9
161.02460	20.1
162.02936	1.0
163.00377	2.3
163.03999	0.9
174.03242	0.3
175.04002	1.0
175.07660	1.8
176.01170	0.6
176.04810	1.9
177.01933	2.0
177.05582	0.6
177.09204	5.4
178.02682	1.1
187.00348	1.3
187.04039	0.6
189.01936	1.0
193.05124	0.5
199.03914	0.3
199.07597	0.4
201.05598	0.6
201.09213	0.5
202.02727	0.5
203.03583	0.6
203.07146	6.7
203.08910	0.5
204.07797	1.1
211.03922	0.4
213.09262	0.4
217.05084	0.3
221.08205	2.4
224.04765	0.8
227.03595	0.5
240.04214	0.5
241.08707	0.9
242.09491	3.4
251.03542	0.5
251.10797	0.4
252.04350	0.7
255.03069	0.4
265.12421	0.5
266.05826	0.5
267.06705	0.4
267.10321	0.3
268.03772	1.7
277.12286	0.5
279.03159	0.5
281.04431	0.3
282.05411	0.6
283.06110	0.3
293.04633	0.7
293.08212	0.4
293.11926	1.3
295.02689	0.4
295.06232	0.4
295.09763	0.7
296.03311	4.3
297.04007	0.4
309.04089	0.6
309.11362	2.3
310.04849	0.5
310.11591	0.4
311.05634	5.3
312.06195	0.6
319.09708	0.7
321.04111	0.4
321.11322	6.2
322.04816	0.5
322.11557	0.6
325.07263	1.2
326.07922	1.2
336.13675	2.0
337.07159	1.3
337.10858	4.9
337.14490	0.5
338.11002	0.7
347.09286	1.1
350.08151	0.4
351.08426	0.3
351.12317	0.4
352.13074	0.7
364.09534	0.8
365.10318	24.2
366.10730	3.1
379.11893	5.4
379.15991	0.2
380.12616	10.2
381.12985	0.9
394.14175	1.7
395.14999	100.0
396.15350	14.2
437.16028	1.4
497.89078	0.3
581.20416	1.4
583.22107	0.5
599.21405	0.8
685.24994	1.6
686.25183	0.6
703.26099	4.9
704.26508	1.2
730.24768	0.6
745.27161	32.1
746.27570	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	745.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
61.98831	0.7
71.01403	0.7
73.02967	0.4
77.04335	0.3
77.55785	0.3
85.02991	0.6
87.00883	0.5
89.02453	0.4
93.35261	0.3
95.01429	0.6
96.96028	0.9
98.19875	0.7
101.02483	0.4
103.04057	0.4
107.05030	0.3
108.02205	0.9
109.03004	0.5
113.02428	0.3
116.37478	0.3
117.03477	0.3
121.02966	1.0
122.03764	0.6
123.00919	0.9
133.02983	2.8
135.50916	0.3
136.01663	0.6
138.03223	0.4
145.02969	0.3
146.66216	0.3
148.01761	0.3
149.02455	2.8
153.01929	0.3
157.06615	0.6
159.04576	1.0
159.08221	1.9
161.02460	20.1
162.02936	1.0
163.00377	2.3
163.03999	0.9
174.03242	0.3
175.04002	1.0
175.07660	1.8
176.01170	0.6
176.04810	1.9
177.01933	2.0
177.05582	0.6
177.09204	5.4
178.02682	1.1
187.00348	1.3
187.04039	0.6
189.01936	1.0
193.05124	0.5
199.03914	0.3
199.07597	0.4
201.05598	0.6
201.09213	0.5
202.02727	0.5
203.03583	0.6
203.07146	6.7
203.08910	0.5
204.07797	1.1
211.03922	0.4
213.09262	0.4
217.05084	0.3
221.08205	2.4
224.04765	0.8
227.03595	0.5
240.04214	0.5
241.08707	0.9
242.09491	3.4
251.03542	0.5
251.10797	0.4
252.04350	0.7
255.03069	0.4
265.12421	0.5
266.05826	0.5
267.06705	0.4
267.10321	0.3
268.03772	1.7
277.12286	0.5
279.03159	0.5
281.04431	0.3
282.05411	0.6
283.06110	0.3
293.04633	0.7
293.08212	0.4
293.11926	1.3
295.02689	0.4
295.06232	0.4
295.09763	0.7
296.03311	4.3
297.04007	0.4
309.04089	0.6
309.11362	2.3
310.04849	0.5
310.11591	0.4
311.05634	5.3
312.06195	0.6
319.09708	0.7
321.04111	0.4
321.11322	6.2
322.04816	0.5
322.11557	0.6
325.07263	1.2
326.07922	1.2
336.13675	2.0
337.07159	1.3
337.10858	4.9
337.14490	0.5
338.11002	0.7
347.09286	1.1
350.08151	0.4
351.08426	0.3
351.12317	0.4
352.13074	0.7
364.09534	0.8
365.10318	24.2
366.10730	3.1
379.11893	5.4
379.15991	0.2
380.12616	10.2
381.12985	0.9
394.14175	1.7
395.14999	100.0
396.15350	14.2
437.16028	1.4
497.89078	0.3
581.20416	1.4
583.22107	0.5
599.21405	0.8
685.24994	1.6
686.25183	0.6
703.26099	4.9
704.26508	1.2
730.24768	0.6
745.27161	32.1
746.27570	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	743.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	32.4
60.01722	0.5
69.03439	0.6
69.57832	1.1
69.58243	2.0
71.01385	11.3
73.02954	15.2
75.00889	0.8
75.33054	0.6
76.52573	0.5
77.29745	0.4
80.05082	0.6
83.01399	4.1
85.02962	2.2
87.00900	0.9
89.02457	2.3
94.06623	2.9
95.01404	0.5
96.96037	1.0
98.19906	1.0
99.00842	0.6
99.94064	0.5
101.02457	13.4
104.05069	4.3
107.03761	3.8
108.04568	8.7
113.02464	4.4
119.03490	1.4
120.47617	0.5
121.02993	1.1
122.06130	26.7
123.06480	1.1
124.07690	2.0
125.02444	0.6
131.03508	1.6
132.04567	61.2
133.01462	0.8
133.04924	2.5
134.06131	3.7
139.02747	0.9
143.03508	1.1
144.04553	0.9
146.06143	0.6
148.04050	5.1
149.04570	1.9
150.05641	1.9
152.07184	79.6
153.07562	3.2
155.03552	0.6
160.04010	0.8
161.04562	4.5
162.05670	0.6
163.04060	0.6
176.03534	9.7
177.03879	1.0
188.03568	1.1
203.10519	0.5
208.06192	3.3
209.03072	1.0
221.06725	0.7
252.42227	0.6
269.12949	5.5
273.12451	5.3
297.12463	34.2
298.12857	4.0
313.11966	5.2
314.12323	0.8
341.11435	79.3
342.11725	8.6
345.14297	0.6
369.11868	2.2
373.14056	100.0
374.14374	13.3
471.70303	0.6
522.34454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03454	0.7
59.01385	100.0
59.88856	0.4
60.01728	1.3
71.01385	11.3
73.02947	3.3
74.02470	0.6
77.11431	0.4
83.01395	1.9
85.02961	6.2
87.00858	0.4
89.02453	3.1
95.01412	0.9
97.02950	0.6
99.00903	1.6
101.02446	8.5
113.02473	4.9
118.57452	0.4
119.03493	1.0
128.41145	0.4
131.03531	0.4
143.03561	1.0
159.03043	0.7
161.04582	5.5
176.75249	0.4
179.05609	1.0
198.45207	0.4
203.08269	0.5
217.90329	0.4
223.05980	0.5
225.14954	0.7
245.09354	1.4
269.10303	12.1
270.10587	0.8
311.11356	6.9
349.73938	0.4
355.10037	0.5
387.20383	1.9
422.39838	0.5
716.89099	0.4
743.20770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98987	1.1
58.68343	1.0
59.01382	12.0
71.01373	11.0
71.54544	1.1
71.54943	1.2
72.14840	1.3
72.99316	1.7
73.02943	1.7
85.02961	5.6
89.02431	5.2
93.03455	1.2
96.96006	2.8
99.00867	1.8
101.02487	6.0
106.27179	1.2
107.04992	1.3
108.02182	54.1
109.02962	72.6
110.03282	1.5
113.02444	5.2
115.00386	1.2
119.03554	1.3
119.05052	7.5
121.02943	3.1
123.00855	1.3
123.04551	7.3
123.08513	1.1
125.02466	1.5
133.01404	2.2
133.02921	1.4
134.03734	1.8
135.04529	1.8
137.02441	2.3
137.06076	12.6
138.05566	2.7
149.02420	1.3
151.03981	4.2
152.01166	100.0
153.01956	70.4
153.05553	10.3
154.02280	1.3
161.04536	4.0
163.03983	9.4
177.01860	2.1
179.03517	3.2
179.05614	2.0
179.50743	1.2
181.05043	1.2
195.05067	3.4
207.02940	2.4
271.08511	1.3
277.14374	1.1
315.07065	1.6
337.14969	4.9
429.10526	8.8
447.11395	31.7
448.11688	4.3
539.13947	2.0
565.11298	1.8
583.13037	84.2
584.13556	11.2
625.04279	1.3
625.14221	5.0
665.92285	1.3
745.18304	65.0
746.18402	13.8
777.46130	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	745.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98987	1.1
58.68343	1.0
59.01382	12.0
71.01373	11.0
71.54544	1.1
71.54943	1.2
72.14840	1.3
72.99316	1.7
73.02943	1.7
85.02961	5.6
89.02431	5.2
93.03455	1.2
96.96006	2.8
99.00867	1.8
101.02487	6.0
106.27179	1.2
107.04992	1.3
108.02182	54.1
109.02962	72.6
110.03282	1.5
113.02444	5.2
115.00386	1.2
119.03554	1.3
119.05052	7.5
121.02943	3.1
123.00855	1.3
123.04551	7.3
123.08513	1.1
125.02466	1.5
133.01404	2.2
133.02921	1.4
134.03734	1.8
135.04529	1.8
137.02441	2.3
137.06076	12.6
138.05566	2.7
149.02420	1.3
151.03981	4.2
152.01166	100.0
153.01956	70.4
153.05553	10.3
154.02280	1.3
161.04536	4.0
163.03983	9.4
177.01860	2.1
179.03517	3.2
179.05614	2.0
179.50743	1.2
181.05043	1.2
195.05067	3.4
207.02940	2.4
271.08511	1.3
277.14374	1.1
315.07065	1.6
337.14969	4.9
429.10526	8.8
447.11395	31.7
448.11688	4.3
539.13947	2.0
565.11298	1.8
583.13037	84.2
584.13556	11.2
625.04279	1.3
625.14221	5.0
665.92285	1.3
745.18304	65.0
746.18402	13.8
777.46130	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	745.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61001	1.2
59.01387	13.0
60.58315	1.3
61.98832	7.8
71.01389	7.2
71.55000	1.5
73.02950	2.5
75.00863	1.6
77.16043	1.0
79.92091	1.0
85.02937	2.1
87.00877	1.1
89.02466	3.9
93.03486	3.9
96.96024	4.8
98.20576	1.3
99.04517	1.5
101.02474	4.1
109.02998	1.9
113.02468	3.3
115.14082	1.1
119.03544	1.7
120.01292	1.9
121.02972	13.1
122.03768	14.6
122.06133	3.1
125.02481	1.2
132.02287	1.4
133.02957	1.7
134.03784	2.3
135.04565	9.9
136.01680	21.9
137.02461	3.3
147.04538	2.5
147.82628	1.2
149.02455	26.4
150.03246	90.7
151.00394	5.3
151.04037	25.2
152.01151	1.6
152.07202	3.7
156.35355	1.3
160.05302	1.8
161.04636	1.4
163.04062	3.9
164.04837	6.5
165.05586	100.0
166.02724	15.4
166.05942	3.8
167.03508	2.0
172.05229	1.7
175.04013	5.4
175.07491	1.2
177.05554	2.7
179.07147	1.3
180.04309	5.6
181.05093	22.3
189.05586	3.1
190.06351	7.3
193.04971	1.4
195.06651	66.2
196.07001	3.4
203.55139	1.0
205.08762	2.5
225.41495	1.2
236.99358	1.3
247.51582	1.3
270.32440	1.1
297.80145	1.2
315.08673	1.9
319.61551	1.3
324.09750	1.4
325.06998	1.5
329.10464	2.6
342.11154	2.2
356.12674	1.8
357.09720	4.0
357.13483	10.0
358.13968	1.5
372.12064	4.7
373.12689	2.4
386.13919	2.3
387.14536	53.6
388.14969	7.3
505.18555	3.9
506.18753	1.4
535.19775	69.6
536.20111	13.4
553.20685	3.6
565.21539	3.3
583.21906	41.4
584.22186	9.4
599.25128	1.5
675.26849	5.9
676.26843	2.2
707.29584	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	742.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62845	0.3
57.03457	1.1
58.02981	13.8
59.01382	28.0
67.14684	0.3
67.82140	0.3
69.27115	3.5
70.02979	5.0
71.01383	5.4
72.00905	2.8
72.99326	0.5
73.02952	7.1
73.38848	0.4
75.00874	0.8
83.01377	2.3
85.02954	1.4
87.00903	0.6
89.02454	2.4
91.05547	3.5
93.79481	0.4
96.96023	3.3
97.88181	0.4
98.95615	0.4
99.00882	0.6
101.02446	5.9
113.02443	2.9
119.03488	1.1
119.05043	0.6
121.02977	0.5
125.02477	0.8
125.97211	0.3
131.03491	0.8
135.04547	0.7
136.04045	0.4
143.03505	0.7
146.03760	0.4
147.04527	21.7
148.04909	1.1
149.04570	1.2
155.03540	0.4
161.04558	2.6
162.09201	0.7
164.07172	59.5
165.07497	2.9
173.04584	0.4
179.07185	0.5
181.05074	0.5
193.05066	0.5
195.05147	1.6
203.05638	0.6
206.08231	100.0
207.08549	7.1
211.07599	0.7
221.06680	0.7
227.07137	1.5
250.07198	1.1
387.20160	1.2
405.21222	0.8
435.57510	0.4
447.22348	9.9
448.22687	1.6
450.79556	0.4
491.21487	0.5
496.53534	0.4
572.00854	0.4
581.17297	0.5
742.25696	0.4
743.20795	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	743.205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
59.01385	13.0
69.51335	11.4
71.01385	14.4
72.99302	1.8
73.02962	2.3
75.00893	14.5
77.24154	1.6
83.01383	2.2
85.02956	7.3
87.00889	9.4
88.04031	4.4
89.02446	9.1
90.02722	1.5
93.03464	1.6
96.95980	2.5
99.00880	2.8
101.02447	6.2
108.69151	1.5
109.02959	4.9
113.02450	2.7
115.00371	3.4
119.03550	3.0
119.05024	6.4
121.02926	3.8
121.05039	2.2
123.04546	3.2
129.01938	5.6
132.03041	8.3
134.03735	4.0
135.04510	2.2
137.02457	3.5
138.03198	3.4
147.04492	2.3
149.02527	2.9
149.04578	4.6
153.01920	6.5
159.03040	4.1
159.04485	7.3
161.02376	4.1
161.06068	3.2
163.04034	7.4
164.04729	3.1
173.02489	1.8
173.06128	2.4
175.03966	2.0
177.01900	2.3
177.04018	6.1
178.02710	1.9
189.01865	1.9
191.03488	1.5
193.05009	4.4
195.05069	21.9
195.06602	2.8
197.04494	2.4
203.03421	1.6
205.04903	2.5
205.45882	1.6
213.05388	1.6
223.06107	5.5
224.04799	1.9
225.05554	7.3
241.05043	8.7
249.05510	1.8
250.07179	5.6
251.03494	2.2
251.07251	2.2
251.33372	1.6
253.05011	6.3
254.05858	2.0
256.07410	4.1
267.06595	2.0
268.07281	2.3
269.04584	17.2
269.07474	2.3
270.05231	4.4
271.06085	9.1
271.09589	10.9
277.05154	2.4
279.03140	1.7
281.04370	3.8
284.06943	6.8
285.07535	3.8
286.08319	7.6
294.05243	2.0
295.06015	2.1
296.03320	2.0
297.04004	12.3
297.07324	3.2
298.04086	1.7
299.09186	7.9
301.10846	8.8
311.05597	2.9
312.06345	7.0
312.09744	3.9
313.06470	2.1
322.04822	2.7
323.05597	4.0
325.07114	6.9
325.10843	3.5
326.07898	4.7
327.08838	22.4
327.12405	4.3
328.09360	1.8
337.07162	4.3
338.07983	6.3
353.10287	6.6
355.07990	2.4
369.09799	5.8
371.11349	3.0
387.10938	12.4
387.15320	2.8
397.09146	5.7
441.08279	3.5
459.09021	3.8
479.48544	1.6
502.67545	1.8
565.15509	1.9
581.15112	6.8
611.19635	3.3
639.18726	3.9
683.18604	5.7
707.18231	2.5
725.19525	5.5
743.20392	100.0
744.20746	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	743.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01123	0.6
59.01389	11.0
61.48249	0.5
61.98830	0.8
65.00327	1.5
69.34367	2.2
69.34793	2.4
71.01389	5.3
73.02938	1.9
75.17255	0.5
83.01372	1.6
83.39312	0.6
85.02953	1.9
89.02449	2.0
95.01440	0.7
96.96028	4.8
99.00929	0.6
101.02443	2.4
107.01368	2.2
109.02981	0.7
111.04495	0.5
113.02435	1.9
119.03502	0.7
119.05061	0.6
121.02957	1.2
133.02962	11.9
134.03336	0.6
135.04558	1.0
142.66425	0.5
145.03104	0.7
149.02431	2.5
149.04515	1.1
150.03300	0.7
151.00398	4.3
161.04614	0.6
161.06082	0.6
165.05524	1.0
175.04028	2.2
189.05463	0.5
190.02707	0.7
199.03987	2.8
213.09273	0.7
215.03429	0.6
217.05058	1.7
223.04002	0.6
229.04974	0.6
241.05023	0.9
243.02866	0.8
255.02969	0.9
283.02844	0.7
285.04068	100.0
286.04370	9.9
287.04901	1.0
301.03580	1.1
305.03210	0.5
405.86856	0.6
438.08096	0.6
563.30713	1.3
699.38306	0.8
734.38751	0.7
743.36993	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	741.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82159	0.9
52.61425	1.0
55.61185	1.0
59.01385	31.4
61.98835	4.7
67.20907	1.0
69.03452	1.6
71.01389	23.6
72.99314	1.5
73.02957	3.4
83.01402	3.7
85.02956	6.4
87.00877	5.1
87.37092	1.0
89.02455	21.1
95.01389	2.6
96.96022	1.0
97.02962	4.1
101.02451	22.8
106.52370	1.0
107.68829	1.0
110.88635	1.0
111.55560	1.1
113.02457	11.0
115.32023	0.9
118.45545	1.0
119.03514	7.1
125.02445	7.9
139.04097	1.2
141.53758	1.0
143.03496	2.9
161.04532	5.1
166.15500	0.9
168.00792	1.0
179.05661	4.2
198.36154	1.2
199.06110	1.0
199.36241	0.9
213.64273	1.2
221.06567	2.3
235.08282	9.5
253.09209	1.5
263.07690	1.0
279.23245	1.4
283.26453	77.5
284.26810	8.4
287.07684	3.3
305.08707	3.7
323.09897	1.4
397.13535	100.0
398.13773	9.7
399.54520	1.2
415.14603	35.0
416.14764	3.1
681.40698	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05635	0.7
57.03449	1.1
59.01390	6.4
61.98838	11.1
70.08913	0.7
71.01390	4.9
71.55482	0.7
73.02952	1.1
80.02705	1.1
81.03496	0.7
83.05022	3.1
84.02164	0.8
85.02945	1.4
86.00363	0.7
89.02443	2.2
96.96023	1.4
97.06585	0.9
99.00899	1.7
101.02460	3.4
113.02477	3.4
121.02869	0.8
125.09727	2.2
127.11295	2.7
135.04530	0.9
137.09636	0.7
139.11243	0.8
140.60928	0.7
140.81383	0.9
161.04532	1.1
163.11267	3.3
165.12802	1.7
171.10269	1.8
175.78883	0.8
179.05641	1.2
181.12361	1.1
182.12630	1.0
199.13470	0.8
201.11339	39.0
202.11696	2.9
207.10321	2.1
208.10623	1.5
209.11839	91.2
210.12154	6.9
225.09247	0.9
225.11380	2.5
226.11743	1.9
227.12943	9.8
234.69518	0.7
235.08258	6.9
243.12364	1.5
245.12894	1.0
250.83249	0.9
253.09306	14.8
277.21738	100.0
278.19141	0.4
278.22073	12.3
437.20181	1.3
445.20978	1.3
461.32483	1.2
463.20914	0.9
741.32544	1.8
741.43439	11.9
742.44086	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	741.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82021	2.6
70.90230	0.5
77.90286	0.4
86.14767	0.5
95.86757	0.5
96.34010	0.6
98.19911	1.0
99.32183	0.5
157.06563	0.7
162.77208	0.7
169.06618	0.6
195.07939	0.5
205.03177	0.8
215.07103	1.4
217.02936	0.7
251.07132	1.4
261.12827	1.5
263.06955	0.5
275.11035	1.2
276.11316	0.7
305.11713	0.6
305.19064	2.1
307.07837	2.2
328.07681	0.5
331.20789	0.7
349.12759	0.7
351.14127	1.3
364.15952	0.9
365.15698	13.6
366.15942	1.6
375.19769	5.5
419.20389	4.3
420.20618	0.7
466.67801	0.5
527.18628	1.3
559.15503	1.1
581.23505	1.8
617.23596	10.8
618.24261	2.7
629.23688	2.8
630.23596	0.9
643.25116	1.6
655.27655	1.0
657.26776	1.8
671.28375	2.2
683.28448	1.7
725.92383	0.6
741.36139	100.0
742.36475	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	741.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86440	0.5
71.34016	0.9
71.34360	0.6
99.57295	0.5
105.29893	0.4
119.05087	0.6
157.06625	0.5
159.08119	0.7
161.02440	0.4
165.47462	0.5
171.07944	0.4
205.03067	0.6
215.07137	1.1
251.06934	0.5
261.12726	1.3
275.10995	1.1
283.07449	0.4
295.07877	0.5
305.11929	1.1
305.19077	1.2
307.07785	1.5
313.09152	0.5
321.47464	0.5
351.14081	0.7
364.16135	0.7
365.15677	10.7
366.16077	1.4
375.19656	3.3
376.20023	1.1
419.20380	3.2
420.20883	0.5
478.76007	0.5
516.88556	0.4
527.18933	0.9
544.99384	0.4
559.16101	0.7
581.23456	1.7
617.23590	8.8
618.23553	1.7
629.23529	3.2
635.28473	0.6
643.25159	0.5
657.26624	1.3
671.28320	1.0
683.28198	1.1
741.36133	100.0
742.36450	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37371	0.5
61.98823	0.8
98.19888	1.5
107.01341	0.6
157.06519	1.0
158.42001	0.6
160.62819	0.6
169.06499	0.6
205.03165	0.7
215.07175	1.4
229.07306	0.6
251.06998	0.7
261.12762	1.5
263.14304	0.6
275.10989	0.8
305.11816	0.9
305.19119	1.4
307.07953	1.5
363.14206	0.7
365.15707	11.3
366.15891	2.4
375.19751	3.8
376.19971	1.1
419.20395	3.9
581.23560	1.4
617.23730	8.2
618.24078	1.8
629.23438	3.2
643.25220	1.0
655.29340	0.8
657.26459	1.4
671.28375	0.8
683.27966	1.8
741.36078	100.0
742.36438	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99265	1.2
56.65198	1.1
59.01379	11.6
59.87240	1.1
61.98846	8.5
69.03450	1.2
69.23973	9.0
69.24379	2.4
71.01391	12.1
71.05013	1.5
73.02949	1.9
79.95761	2.9
83.01406	1.4
83.05021	1.8
85.02954	2.9
87.00878	1.9
89.02446	4.5
95.05042	1.7
96.96021	56.0
97.02982	3.6
97.06611	2.6
99.00899	13.1
101.02461	6.8
109.06591	3.0
113.02437	2.6
125.02516	1.7
125.09740	7.2
142.02675	1.3
163.11316	8.8
171.10289	24.3
171.74660	1.4
179.10892	1.3
181.12335	14.5
197.11870	2.2
199.13406	22.9
201.11333	4.5
202.60686	1.4
207.10275	36.4
208.10609	2.5
209.11870	1.2
215.12953	1.4
225.11346	74.8
226.11624	4.3
227.89835	1.5
235.08150	5.0
243.12411	15.1
253.09279	8.2
277.21738	79.1
278.22052	9.0
443.19156	1.8
461.20477	11.8
479.21497	2.6
681.91821	1.6
721.41339	6.3
731.68311	1.5
739.42822	100.0
740.43176	24.7
766.70837	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	739.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
57.03447	1.6
58.80604	0.5
59.01115	0.8
59.01385	9.4
61.98827	7.8
68.22353	0.6
69.67555	3.5
71.01382	8.7
71.05022	2.6
72.99335	1.0
73.02943	1.1
75.00877	1.0
80.05312	0.6
81.03465	0.8
83.05040	1.4
85.02959	1.8
87.00905	0.8
87.45523	0.6
89.02437	3.7
95.05033	1.1
95.47004	0.6
96.96026	0.9
97.02923	4.2
97.06606	2.1
99.00892	16.9
101.02441	4.6
107.44759	0.6
109.02943	0.6
109.06607	1.2
113.02457	2.9
115.62961	0.6
119.03514	1.6
123.08173	1.5
125.02476	1.2
125.09728	6.5
127.11337	0.8
129.29030	0.5
135.08212	0.7
142.02727	1.1
161.04619	0.9
163.11290	9.5
164.11595	0.7
171.10252	4.9
175.07643	0.7
181.12358	18.1
181.13966	0.9
182.12720	1.3
197.11880	0.9
199.13390	14.2
200.13644	0.7
201.11296	1.1
207.10265	27.9
208.10587	1.3
225.11324	39.8
226.11690	2.6
235.08141	1.8
243.12376	23.2
244.12793	1.4
253.09276	1.1
262.71304	0.6
277.21725	19.9
278.22076	1.7
281.24893	7.7
287.07779	0.8
306.21283	0.6
397.13550	7.2
415.14465	2.8
461.20172	2.9
470.15323	0.6
479.21472	10.8
479.94479	0.6
577.37311	0.9
739.42792	100.0
740.43188	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	739.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
57.03455	0.8
59.01394	3.6
61.98841	2.1
64.72365	0.3
69.03469	0.6
71.01392	6.0
71.05019	2.0
71.54573	0.5
71.54966	0.6
73.02951	0.8
78.95912	0.6
79.95760	3.2
80.25784	0.3
82.75230	0.3
83.01385	0.5
83.05028	0.8
85.02962	1.1
85.16058	0.3
87.00891	1.2
89.02448	1.5
95.01376	0.5
95.05030	0.9
95.58160	0.4
96.56085	0.4
96.96022	100.0
97.02927	1.9
97.06573	1.8
97.95937	0.7
99.00890	8.6
101.02454	2.6
106.39032	0.4
109.06621	1.1
110.03725	0.5
111.67454	0.3
113.02469	1.4
119.03512	0.4
123.08168	1.0
125.09731	4.3
142.02713	0.6
153.12827	0.4
161.04579	0.5
161.09621	0.4
163.11285	7.6
171.10286	5.9
181.10846	0.7
181.12364	10.0
182.12683	0.6
197.11897	0.7
199.13406	3.8
201.11403	1.3
207.10277	11.5
208.10567	0.9
209.11816	0.4
225.11337	17.6
226.11697	1.3
235.08270	1.1
243.12381	6.0
253.09238	1.9
277.21747	27.9
278.22150	2.9
281.24844	0.9
367.60916	0.4
397.13287	1.3
404.65320	0.4
407.89697	0.4
415.14621	0.4
461.20160	2.5
468.72745	0.4
479.21194	2.3
577.37195	0.5
739.42816	49.3
740.43188	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	740.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98835	100.0
69.82626	1.0
71.01402	0.6
73.02982	0.2
74.52835	0.2
83.05048	0.4
89.02465	0.5
96.96038	0.3
98.05755	0.2
98.20645	0.3
101.02465	0.3
116.92939	0.2
119.63569	0.2
131.04669	0.2
206.58627	0.2
209.11797	3.6
210.12187	1.6
219.06702	0.2
227.12917	0.4
236.08598	0.3
253.09409	0.4
254.09857	0.2
275.20145	0.2
276.20709	0.2
279.23370	0.8
280.23669	0.8
281.24124	0.3
282.24295	0.3
293.21191	1.1
294.21652	0.8
295.22986	0.4
364.31561	0.2
397.13437	0.3
398.13931	0.5
399.14142	0.8
400.14371	0.6
417.15338	0.4
456.38049	0.2
514.01099	0.2
614.78815	0.2
632.54077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90604	0.4
59.01377	1.8
61.98837	3.6
70.39171	0.8
70.39558	0.8
77.03986	2.2
88.27359	0.4
93.03474	0.6
96.96017	1.5
98.19928	0.5
107.79375	0.4
121.02969	100.0
122.03296	3.6
137.02489	0.5
165.01950	76.2
166.02298	3.6
180.05937	0.7
181.06657	2.4
191.03546	1.7
209.11870	3.2
210.12257	1.3
225.05623	1.5
227.12889	0.6
235.16882	0.4
240.52696	0.4
253.09412	0.5
275.20175	0.7
276.20599	0.5
293.21289	1.4
294.21570	1.8
313.07104	2.1
317.41599	0.4
357.06180	10.6
358.06583	1.3
414.04587	0.8
415.04282	1.4
491.16202	0.4
741.14630	4.6
742.15063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43386	1.7
56.64269	1.9
59.01377	9.6
60.85298	1.7
61.98825	2.4
71.01414	4.1
83.05080	2.0
89.02491	3.3
96.96033	10.6
98.20742	4.7
124.46575	2.1
163.07674	2.0
178.09616	2.1
207.64084	1.8
209.11850	100.0
210.12155	8.1
227.12914	25.9
235.08250	5.3
253.09305	8.6
295.29776	2.0
330.24945	1.9
345.76804	1.9
445.20837	9.2
493.35696	2.8
595.40503	2.4
697.40295	2.6
741.34973	26.1
742.35040	6.4
744.90002	2.1
761.14191	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	739.413
Annotation	Montanastatin
Peak:m/z	Relative Intensity
55.01876	1.1
57.03441	3.1
59.01115	1.0
59.01385	14.6
61.98813	1.4
68.34991	0.8
69.03450	1.1
69.15931	1.0
71.01391	14.4
72.99317	4.7
73.02930	2.6
75.00879	10.6
83.01381	1.0
85.02458	1.3
85.02956	15.6
87.00867	3.5
89.02436	2.7
95.01408	3.9
96.96021	3.6
99.00863	5.8
101.02434	2.0
103.00345	1.5
107.05034	3.2
113.02472	10.9
115.00361	1.2
125.02367	1.2
130.42046	1.0
135.04530	12.7
161.02559	1.2
161.42664	0.9
162.06841	1.4
175.02454	2.2
177.09169	2.2
220.67068	1.0
225.09222	1.5
226.09990	16.0
227.10449	1.8
229.10562	1.2
241.12343	16.3
242.12517	1.3
245.31638	0.9
249.06207	4.3
254.09445	1.8
267.07297	1.5
269.11816	4.4
272.93707	1.0
281.28546	1.0
313.10828	38.7
314.11176	4.4
327.29062	11.1
328.29431	1.2
451.48465	1.0
471.33170	2.2
489.34464	17.5
490.34702	3.1
739.41248	100.0
740.41559	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	739.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.8
57.03453	3.8
59.01386	97.1
61.98847	6.6
63.79598	1.2
69.03453	1.5
71.01387	46.0
71.01785	2.6
71.55210	1.8
73.02951	16.4
75.00884	1.5
79.54077	1.1
83.01390	11.6
83.74177	1.2
85.02956	27.1
87.00893	5.8
89.02445	11.9
91.21411	1.3
95.01409	5.8
96.96023	8.3
97.02976	2.8
98.95602	1.5
99.00874	7.2
101.02457	32.7
111.00877	6.0
113.02460	26.7
119.03509	3.3
124.01653	1.5
125.02476	7.8
129.02086	1.5
143.03499	4.5
159.02992	1.9
161.00085	1.4
161.04573	5.1
163.07663	13.2
179.05638	1.7
187.49182	1.4
187.95921	1.4
221.06339	1.4
253.22704	1.3
283.26425	1.8
329.30634	3.2
473.33997	5.2
491.35126	15.1
492.35135	3.1
635.40131	100.0
636.40472	22.6
653.41168	74.8
654.41418	13.8
695.41992	27.0
696.42377	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	739.413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03441	3.1
59.01115	1.0
59.01385	14.6
61.98813	1.4
68.34991	0.8
69.03450	1.1
69.15931	1.0
71.01391	14.4
72.99317	4.7
73.02930	2.6
75.00879	10.6
83.01381	1.0
85.02458	1.3
85.02956	15.6
87.00867	3.5
89.02436	2.7
95.01408	3.9
96.96021	3.6
99.00863	5.8
101.02434	2.0
103.00345	1.5
107.05034	3.2
113.02472	10.9
115.00361	1.2
125.02367	1.2
130.42046	1.0
135.04530	12.7
161.02559	1.2
161.42664	0.9
162.06841	1.4
175.02454	2.2
177.09169	2.2
220.67068	1.0
225.09222	1.5
226.09990	16.0
227.10449	1.8
229.10562	1.2
241.12343	16.3
242.12517	1.3
245.31638	0.9
249.06207	4.3
254.09445	1.8
267.07297	1.5
269.11816	4.4
272.93707	1.0
281.28546	1.0
313.10828	38.7
314.11176	4.4
327.29062	11.1
328.29431	1.2
451.48465	1.0
471.33170	2.2
489.34464	17.5
490.34702	3.1
739.41248	100.0
740.41559	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	739.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.6
63.02425	0.9
65.00326	0.6
107.01403	1.4
132.02246	1.4
135.00850	1.0
143.04980	0.5
151.00362	3.1
159.04433	0.6
163.00372	1.0
169.01376	0.6
178.99908	1.5
183.04539	1.1
199.03969	0.7
203.08211	0.5
211.04034	1.6
213.05525	0.6
227.03497	43.3
228.03908	2.6
229.05008	1.8
239.03516	0.8
245.09419	1.2
255.02998	77.1
256.03564	10.0
257.04459	1.6
283.02429	1.9
284.03271	100.0
285.03897	19.4
286.04202	1.1
299.13663	0.5
327.05188	1.9
328.05453	1.8
329.05698	0.7
399.28381	0.5
436.08731	0.5
448.09589	1.1
449.09927	1.2
575.13831	1.1
593.15656	0.7
739.20941	79.7
740.21246	17.7
740.34454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38341	0.1
57.03456	0.3
59.01387	6.5
59.74291	0.1
60.01718	0.2
60.18589	0.1
61.98839	0.8
69.03463	0.2
69.80025	0.4
69.80444	0.3
71.01389	2.6
72.99309	0.3
73.02965	0.9
79.95747	3.1
82.93921	0.1
83.01393	0.5
85.02950	1.1
87.00877	0.4
89.02467	1.0
95.01389	0.3
96.96022	100.0
97.02951	0.2
97.95958	0.3
98.20634	0.2
99.00920	0.2
101.02460	1.6
113.02465	1.7
119.03519	0.4
121.02905	0.1
122.82882	0.1
125.02403	0.3
131.03557	0.2
143.03500	0.3
149.04532	0.1
150.06844	0.1
152.07214	0.1
159.04565	0.2
161.04575	0.6
163.07730	0.3
283.06158	0.1
294.71521	0.1
332.98764	0.1
352.27332	0.1
405.19821	0.2
405.25473	0.1
473.34378	0.2
491.35294	0.3
609.23285	0.3
610.24152	0.1
635.40253	3.4
635.50049	0.2
636.40802	0.3
641.26709	0.2
653.41528	2.2
679.41058	0.2
695.41998	0.7
739.36707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.00614	1.0
59.01384	100.0
60.01717	1.0
69.03449	1.4
69.57795	4.3
71.01386	32.4
72.99308	1.3
73.02949	43.3
74.03279	0.7
75.00880	1.8
81.03454	1.1
83.01395	12.6
85.02952	4.1
85.34147	0.6
87.00890	1.6
89.02448	8.4
95.01404	1.7
96.96046	1.1
97.02956	1.1
99.00913	1.2
99.04515	0.8
101.02450	36.9
102.02804	0.8
113.02460	15.4
119.03506	5.5
125.02446	1.5
131.03525	5.4
136.01614	0.7
143.03499	4.8
149.04582	7.4
155.03503	0.8
161.04573	12.7
175.03990	0.7
203.05603	1.5
221.06740	3.7
319.99927	0.7
337.09180	0.8
373.01428	0.7
427.56018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68456	3.0
59.01383	100.0
61.98838	28.6
69.19276	32.4
71.01388	41.6
73.02950	14.9
83.01353	3.4
83.18156	3.2
85.02964	14.8
87.00882	6.8
89.02467	18.1
95.01405	3.7
96.96029	31.0
99.00883	5.0
101.02449	22.2
108.02191	3.6
109.06600	6.6
110.53471	3.6
113.02457	28.4
119.03510	9.5
125.02467	7.9
137.02477	4.8
143.03497	4.6
152.01212	5.1
160.79828	3.0
161.04617	6.7
163.07625	9.0
177.09192	2.8
179.05591	5.7
207.06648	41.9
207.10271	14.9
209.11867	25.9
216.84329	3.4
225.11363	12.0
227.12910	11.0
240.08151	3.8
269.04492	4.6
284.03027	3.9
285.03967	5.3
343.29272	3.2
489.27063	4.1
491.34125	11.9
547.34503	6.0
635.30334	8.1
635.40442	10.6
653.31616	13.8
653.41724	8.2
671.33136	12.1
678.07550	3.9
695.39923	13.0
739.31219	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	739.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.5
57.03447	4.8
59.01385	100.0
61.98829	8.3
69.68230	6.7
69.86972	1.3
71.01388	33.1
72.99301	1.9
73.02948	10.3
79.54359	1.2
80.78277	1.2
83.01385	5.8
83.05029	1.7
85.02961	17.0
87.00883	2.6
89.02465	8.0
95.01414	3.9
96.96032	10.6
99.00887	2.7
101.02457	20.1
102.10939	1.6
104.51416	1.6
111.31103	1.7
113.02477	16.3
119.03513	4.6
124.12735	1.5
125.02455	1.6
150.06883	3.2
161.04558	3.2
163.07668	41.9
164.04631	1.5
164.07991	2.8
168.19659	1.6
179.05615	1.7
189.70995	1.6
223.06119	2.1
375.24973	1.6
471.29129	1.5
473.32724	12.6
474.32724	2.5
491.33887	24.3
492.33945	4.0
533.35260	2.0
635.40430	12.6
636.41046	1.9
653.41003	11.8
695.40179	90.2
696.40338	19.4
728.32819	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	739.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.8
57.03444	4.7
58.00576	1.7
59.01385	92.4
61.98841	9.5
69.03454	1.9
69.66024	7.7
71.01385	42.4
72.01693	1.6
73.02953	15.0
74.11083	1.3
78.20920	1.3
81.03451	2.2
83.01398	8.8
85.02959	23.8
85.62688	1.2
86.00074	1.7
87.00868	5.1
89.02448	11.1
95.01389	6.3
96.96020	7.5
97.02943	3.1
99.00901	4.7
101.02450	31.2
111.00879	5.1
113.02454	22.4
115.04003	1.4
119.03485	3.0
125.02454	5.8
135.04524	1.3
143.03510	4.7
150.06882	1.4
159.03006	2.4
161.04573	5.6
163.07681	13.0
283.26434	3.3
329.30457	2.2
473.33566	4.6
474.34753	1.6
491.35349	11.1
492.35568	2.4
525.85870	1.4
547.34540	1.6
635.40137	100.0
636.40466	21.5
653.41174	75.0
654.41455	13.4
681.21967	1.6
695.41980	22.6
696.41632	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	737.519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27736	0.3
59.01383	13.0
66.89962	0.3
69.90738	0.7
69.91142	1.1
71.01405	0.3
78.29295	0.3
81.03458	4.8
83.05034	12.4
100.07674	0.4
108.04583	0.4
116.91013	0.3
125.07217	0.8
125.24181	0.3
126.05621	0.3
140.16429	0.4
141.28995	0.3
143.08235	0.5
151.03934	0.3
207.15025	0.9
224.17712	1.8
225.16096	10.4
226.16498	0.8
242.18680	0.6
309.21942	0.5
324.26508	0.4
333.22821	0.6
341.29187	0.6
367.27255	0.8
433.31805	1.1
450.34674	1.0
451.32892	7.1
452.33197	1.2
536.63654	0.3
550.43689	0.6
593.43793	0.5
659.48676	1.4
677.49713	100.0
678.50043	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	738.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43082	0.2
57.43274	0.2
59.01382	1.5
60.01723	0.2
61.98836	100.0
66.96690	0.2
70.51827	0.2
70.52169	0.4
71.01396	1.0
72.99338	0.2
73.02947	0.2
86.61288	0.2
87.00895	0.4
89.02461	0.9
89.36611	0.2
101.02479	0.8
102.02824	0.2
113.02480	0.4
119.03531	0.2
125.02465	0.2
142.68840	0.2
143.03419	0.2
168.03825	0.2
180.77870	0.2
209.11906	0.3
247.16216	0.2
261.58597	0.1
277.21744	1.4
278.22073	1.4
279.22540	0.6
280.22656	0.3
397.13791	0.6
398.13873	1.3
399.13907	1.5
400.14438	0.9
415.14758	0.4
416.15112	0.3
417.15271	0.7
418.15775	0.4
445.83203	0.2
498.52182	0.2
612.30280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98836	100.0
62.40100	0.1
62.98548	0.3
68.46722	0.1
69.58805	0.8
71.01392	0.6
85.02976	0.1
89.02457	0.4
95.05996	0.1
98.19991	0.2
101.02477	0.4
113.02461	0.1
125.02441	0.2
200.34244	0.1
209.11855	1.2
236.08521	0.1
253.71971	0.2
275.20270	0.1
277.21732	0.4
278.22061	0.8
279.22473	0.4
293.21225	0.7
309.37677	0.1
374.45453	0.1
397.13605	0.3
398.13846	0.6
399.14090	0.8
400.14362	0.5
415.15134	0.1
416.14984	0.2
417.15283	0.3
418.15173	0.2
575.13538	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	739.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.4
70.04671	0.2
71.01382	1.0
71.55083	0.2
73.02972	0.4
81.94000	0.2
85.02940	0.5
89.02457	0.5
91.23000	0.2
96.96019	1.0
101.02450	0.7
110.86878	0.2
115.21944	0.2
117.03522	0.6
127.35738	0.3
132.02180	0.5
147.00888	0.4
150.75587	0.3
151.04025	0.3
155.05049	0.7
161.02463	2.5
165.04033	0.5
167.05014	0.7
171.04510	0.3
176.04796	1.5
176.21979	0.3
179.03522	4.6
183.04556	1.8
183.05914	0.3
191.07196	0.8
194.05836	4.7
195.04526	2.9
209.08202	9.2
210.03276	0.5
210.08517	0.6
211.04016	5.6
212.04381	0.3
223.04047	3.1
224.04697	0.8
238.02512	0.5
239.03511	18.7
240.03906	1.7
250.02763	0.3
267.03009	25.3
267.07489	0.6
268.03531	3.5
282.05356	100.0
283.05853	13.9
284.06357	0.4
299.02005	0.3
341.27087	0.3
359.27853	0.6
372.83829	0.3
416.57632	0.3
473.12616	0.8
489.53375	0.3
491.13522	4.7
492.13907	0.9
494.54712	0.2
503.31973	0.3
521.33466	0.5
562.32892	0.4
563.34363	2.2
614.70856	0.3
695.19586	0.9
695.37891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33965	3.4
59.01385	54.9
59.04405	3.8
59.65458	4.1
63.29931	3.5
70.72840	11.8
71.01391	26.0
73.02945	13.9
75.00874	7.4
83.01402	4.2
84.36884	3.6
85.02956	14.8
87.00861	11.5
89.02443	19.4
96.96033	26.9
101.02448	15.9
113.02431	11.0
114.02768	3.9
119.04970	4.4
131.03529	9.0
149.04576	30.6
161.02477	7.6
163.07669	5.5
175.03900	4.7
184.09641	4.1
186.25854	3.7
191.05644	6.8
200.13368	3.7
213.09265	4.6
239.07034	4.9
241.09303	4.1
251.72086	5.0
255.03058	8.5
261.25769	4.4
285.03952	6.4
500.97946	4.5
503.32281	11.3
521.32861	4.7
535.31042	5.5
563.34167	8.1
577.32526	20.0
635.36188	6.4
695.35754	5.1
703.22540	100.0
704.22546	23.1
739.20172	31.6
739.32141	7.5
740.20374	7.2
751.63477	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01389	22.1
65.01761	1.9
71.01387	16.3
71.54442	2.5
73.02946	6.4
73.64671	1.5
75.00857	4.6
83.01400	1.8
85.02947	5.4
85.47377	1.5
86.58456	1.4
87.00891	5.8
89.02447	8.6
93.03437	1.6
96.96032	8.8
101.02468	8.4
109.02933	2.2
113.02465	5.0
119.05010	1.7
131.03517	10.3
134.03732	3.9
136.14548	1.7
145.02951	2.2
149.04562	7.6
151.00352	2.7
161.02422	3.9
168.30841	1.7
173.06061	2.0
187.03888	2.1
191.05675	2.7
193.05061	5.1
227.03453	4.5
231.14114	1.9
255.03079	7.8
284.03253	9.5
285.04010	12.4
361.07001	2.3
376.09521	2.0
391.11981	1.9
409.12677	2.7
472.35568	1.7
493.16440	1.9
577.32092	7.6
593.15033	5.3
635.36621	5.5
653.37915	2.4
663.14795	2.1
695.36365	9.1
696.36469	2.1
703.22461	100.0
704.23108	21.6
739.19513	7.3
739.35809	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	739.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53184	0.8
51.74280	0.9
58.03002	0.9
59.01389	3.9
65.00343	1.1
68.12635	0.8
70.69641	1.6
70.69993	1.9
85.02981	1.5
89.02483	1.4
96.96009	1.7
101.02453	1.4
107.01407	1.1
151.00368	2.7
164.07152	1.7
169.01503	1.0
171.04495	1.0
178.99986	1.4
183.04558	3.4
206.08273	2.9
211.03966	3.1
227.03499	13.5
228.04102	0.9
255.03006	61.6
256.03500	8.2
283.02505	100.0
284.03217	56.9
285.03952	17.5
286.04355	1.3
347.66632	0.9
349.93802	0.9
370.62564	1.1
387.16391	1.4
430.09094	14.4
431.09619	2.5
593.15143	92.9
594.15491	16.1
739.20807	23.0
739.33472	1.2
740.21106	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	737.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.2
58.00599	2.0
59.01385	100.0
59.51691	1.1
61.26109	1.1
61.98838	4.5
62.75606	1.0
71.01385	48.3
71.02351	2.0
71.02714	1.1
72.99316	3.1
73.02953	8.3
76.04742	1.2
82.44117	1.1
83.01392	4.7
85.02959	16.6
87.00863	2.9
89.02451	31.9
92.88302	1.0
95.01369	5.4
96.96013	4.4
97.02943	1.8
99.00878	2.4
101.02442	27.6
111.00896	1.4
113.01727	2.1
113.02466	29.1
119.03512	10.4
125.02446	2.7
131.03548	1.5
143.03513	5.1
149.04530	1.9
161.04570	8.2
163.83401	1.3
179.05627	4.9
209.11819	3.4
239.07207	1.9
290.96796	1.3
471.33252	3.7
489.34784	2.3
513.34192	1.6
519.31427	1.9
545.33844	1.4
561.32605	5.4
597.36316	1.5
633.38672	58.1
634.38977	11.7
651.39624	46.0
652.39996	11.1
693.40448	14.8
694.40015	4.2
737.38440	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	737.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69634	1.5
55.01892	4.2
57.03446	3.6
58.00605	1.5
59.01386	100.0
60.01717	2.9
61.98838	26.5
69.03481	1.5
69.34245	12.1
71.01391	58.5
72.99312	2.6
73.02957	19.6
75.00883	1.7
79.95750	2.4
80.96526	1.9
83.01382	11.3
85.02961	30.6
86.46943	1.4
87.00902	5.6
89.02457	16.4
95.01394	6.8
96.96021	76.5
97.02969	4.2
98.19810	2.3
99.00897	5.9
101.02459	37.0
111.00902	2.6
113.02453	30.2
119.03510	5.1
123.04601	1.6
124.01684	3.0
125.02469	10.3
143.03502	5.5
149.04535	1.5
159.02998	1.4
161.04538	8.7
275.91403	1.6
285.04172	2.6
327.29239	1.6
352.31516	1.5
471.33139	13.1
473.34827	2.1
489.34439	10.0
490.34744	2.5
617.39142	4.8
633.38647	74.0
634.38965	14.7
635.39972	12.5
636.40338	2.6
651.39703	57.9
651.50592	3.4
652.39667	12.8
653.40765	1.8
677.41986	2.2
693.40906	13.3
694.41296	4.1
695.42047	3.4
737.30786	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
59.01125	0.5
59.01392	6.6
61.01014	0.8
61.98841	4.3
69.03454	3.6
69.39104	1.6
69.39516	2.9
70.66507	0.6
71.01389	6.7
71.05048	2.8
73.02934	1.0
73.59516	0.6
80.11969	0.6
83.05050	0.6
85.02943	1.8
85.17307	0.6
87.00887	1.0
89.02438	3.0
96.96019	0.8
97.06561	0.8
101.02470	3.5
113.02436	1.8
119.03491	1.1
123.08195	0.9
125.02472	0.7
125.09740	2.5
129.67868	0.5
148.97641	0.7
149.57973	0.6
150.20436	0.6
151.11311	2.1
153.12865	2.0
155.13618	0.6
161.04622	0.9
161.09702	2.9
169.12379	1.2
179.10779	7.4
197.11844	86.4
198.12225	4.4
205.08821	1.3
223.09798	2.1
241.10767	3.9
253.09279	2.8
277.21744	30.8
278.22107	2.6
279.23593	1.0
293.15588	0.9
328.07660	1.2
412.99930	0.7
459.18921	1.1
477.19891	2.9
575.20703	1.1
737.31171	7.8
737.41528	100.0
738.31750	2.0
738.41809	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
57.03455	4.0
59.01385	100.0
60.01723	1.4
61.14496	0.8
61.98837	15.9
69.88705	3.5
71.01389	33.9
72.99313	2.6
73.02953	11.9
74.07270	0.8
79.95779	1.0
83.01394	5.6
83.05035	1.4
85.02965	10.9
87.00893	3.1
89.02454	16.0
95.01399	3.5
96.96022	6.7
97.02983	1.3
99.00872	2.2
101.02458	19.7
113.02464	23.5
114.93452	0.8
119.03521	7.3
121.02940	1.0
123.08208	1.6
125.02439	2.6
131.03497	1.9
137.02461	2.2
137.09805	0.8
143.03546	4.0
149.02415	1.5
149.04565	1.8
149.06039	1.1
161.04578	6.9
165.01369	0.8
179.05621	4.0
184.05399	1.0
199.07669	1.1
200.16823	0.7
200.94316	0.8
207.06636	3.0
223.06271	0.8
236.86522	0.8
237.29688	0.8
270.13574	0.8
330.45523	0.9
349.24341	0.8
469.52570	0.9
593.19348	1.1
633.38983	13.3
634.39520	2.6
649.28479	1.1
651.39917	9.8
652.40991	2.0
693.39508	6.9
694.39819	1.5
737.37128	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	737.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
57.03455	4.0
59.01385	100.0
60.01723	1.4
61.14496	0.8
61.98837	15.9
69.88705	3.5
71.01389	33.9
72.99313	2.6
73.02953	11.9
74.07270	0.8
79.95779	1.0
83.01394	5.6
83.05035	1.4
85.02965	10.9
87.00893	3.1
89.02454	16.0
95.01399	3.5
96.96022	6.7
97.02983	1.3
99.00872	2.2
101.02458	19.7
113.02464	23.5
114.93452	0.8
119.03521	7.3
121.02940	1.0
123.08208	1.6
125.02439	2.6
131.03497	1.9
137.02461	2.2
137.09805	0.8
143.03546	4.0
149.02415	1.5
149.04565	1.8
149.06039	1.1
161.04578	6.9
165.01369	0.8
179.05621	4.0
184.05399	1.0
199.07669	1.1
200.16823	0.7
200.94316	0.8
207.06636	3.0
223.06271	0.8
236.86522	0.8
237.29688	0.8
270.13574	0.8
330.45523	0.9
349.24341	0.8
469.52570	0.9
593.19348	1.1
633.38983	13.3
634.39520	2.6
649.28479	1.1
651.39917	9.8
652.40991	2.0
693.39508	6.9
694.39819	1.5
737.37128	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	737.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54807	0.6
53.32469	0.6
55.01883	0.9
57.03444	1.6
58.00591	0.8
59.01384	31.8
60.01673	0.9
61.98834	2.1
69.79184	1.9
69.79587	0.9
71.01385	14.6
71.05015	0.7
72.99315	1.8
73.02949	5.4
74.22651	0.6
75.00875	1.1
81.03472	0.9
83.01392	2.6
83.05033	0.8
85.02960	5.6
86.89601	0.7
87.00882	2.8
89.02449	4.0
92.43351	0.6
95.01375	1.2
96.95467	0.9
96.96031	8.7
97.02952	1.0
99.00893	1.2
101.02451	7.2
104.31688	0.6
113.02501	3.4
119.03526	1.6
125.02440	1.5
125.09719	1.5
131.03493	0.9
132.27716	0.6
134.03758	0.7
143.03510	0.7
149.04604	1.1
160.01613	0.9
161.04561	1.0
165.04054	0.7
165.37575	0.6
165.71320	0.7
175.03975	1.2
175.22037	0.7
193.05197	1.1
209.11784	0.9
213.09126	0.6
246.68364	0.6
279.78943	0.7
283.88403	0.6
311.22311	1.4
314.24387	0.6
327.25504	3.6
339.25421	5.4
340.25793	0.9
341.26959	2.4
357.26474	18.9
358.26898	2.3
489.30328	1.1
501.30688	7.7
502.30624	1.7
503.40213	0.7
519.20050	0.9
519.31763	21.6
520.32214	2.7
548.31982	0.9
561.32819	100.0
562.33167	19.1
651.36261	1.5
693.37140	20.0
694.38037	5.3
737.29895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
57.03444	4.9
57.31401	1.3
57.65937	1.4
58.00579	2.0
59.01386	100.0
61.98839	28.2
69.03439	1.3
71.01391	62.4
72.99303	3.5
73.02955	17.3
79.95725	3.7
80.96502	2.1
83.01390	9.5
83.05075	1.6
85.02962	29.1
87.00887	4.1
89.02457	13.0
95.01390	6.1
96.96021	94.0
97.02946	3.0
98.19950	4.1
99.00879	5.4
101.02461	35.5
106.79849	1.3
111.00925	1.8
112.01656	1.8
113.02462	28.2
119.03505	4.2
124.01615	2.3
125.02461	9.2
129.01927	1.6
137.02457	1.9
143.03499	5.3
149.04611	1.7
159.02934	2.5
161.04559	9.0
209.11842	4.1
211.13457	1.4
283.05786	1.8
285.04108	2.9
296.03250	1.9
466.72427	1.6
471.33063	11.3
489.34448	10.8
617.39056	3.3
618.39740	1.6
633.38641	77.9
634.38910	16.4
635.40088	9.9
651.39728	55.4
652.39868	12.8
653.41266	2.6
693.40692	14.2
694.41479	3.8
695.42175	2.9
737.29633	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	737.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
57.03439	3.2
59.01387	100.0
61.98833	13.5
68.99786	1.6
71.01017	2.7
71.01388	51.9
71.54725	2.1
71.55116	2.8
72.99307	4.0
73.02962	15.8
80.96529	10.3
83.01395	9.1
83.05042	2.0
85.02954	24.1
87.00869	6.9
89.02450	19.3
92.72348	1.9
95.01379	5.5
96.96034	21.0
97.02908	3.9
97.14319	1.7
99.00883	6.6
101.02446	37.0
111.00848	2.1
113.02463	27.5
119.03481	5.5
125.02422	8.8
131.03543	2.4
139.21036	2.0
143.03499	4.1
161.04536	7.0
164.98669	1.8
172.05357	1.8
175.07634	1.9
179.05635	2.6
196.42401	1.5
209.11824	6.0
225.00633	2.0
285.04016	1.9
363.23761	1.9
471.33508	9.0
472.33023	2.4
489.34094	7.4
633.28009	3.8
633.38531	72.9
634.38763	18.8
651.39667	61.7
652.40167	16.6
693.40997	20.9
694.41187	5.1
737.30334	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	737.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03444	3.0
58.00589	1.7
58.29291	0.8
59.01386	100.0
60.01713	1.3
61.98839	19.3
69.03461	1.7
71.01390	49.4
72.01718	1.1
72.99332	3.2
73.02967	9.9
74.14405	1.0
78.95944	1.2
83.01389	4.8
83.53078	0.9
85.02966	16.8
87.00876	4.1
89.02457	31.8
95.01384	6.0
96.96016	8.1
97.02984	1.7
99.00865	2.9
101.01797	1.8
101.02455	26.8
113.02466	28.8
119.03524	12.5
119.42975	1.0
125.02449	3.7
129.01935	1.3
131.03529	2.0
134.03743	1.3
143.03488	4.3
149.04614	1.9
161.04552	6.5
161.69948	1.0
179.05635	5.9
209.11804	7.7
213.09334	1.4
239.07176	0.9
280.00476	1.0
296.67990	0.9
324.50021	1.2
356.02075	1.1
438.24515	1.4
471.33618	4.8
489.34158	3.0
519.31891	1.5
545.33301	1.9
561.33069	5.7
633.38611	60.4
634.39020	11.3
651.39606	51.4
652.39874	10.5
666.64044	1.0
693.40607	13.1
694.40558	3.0
737.39026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54087	0.9
55.30326	0.9
56.71566	1.0
57.03459	1.3
58.00589	3.0
59.01387	36.2
61.97314	1.0
61.98828	3.0
64.49305	1.2
69.03462	1.6
71.01388	26.4
72.99333	2.0
73.02944	4.7
81.03460	1.1
83.01385	3.0
85.02965	5.9
85.11005	1.0
87.00893	5.3
89.02454	22.2
95.01423	2.4
95.52464	1.0
97.02956	3.3
101.02447	22.7
103.92313	1.3
111.04525	1.4
113.02451	9.9
119.03540	6.2
125.02461	11.1
131.03459	1.9
141.01718	3.5
143.03564	5.0
161.04570	5.1
167.03508	1.2
179.05635	4.9
221.06613	1.6
225.79060	1.2
235.08270	12.7
238.01035	1.0
245.06540	1.2
253.09215	2.9
277.09238	1.4
277.21735	1.6
279.23325	87.7
280.23734	10.9
285.04144	1.2
287.07736	3.5
287.62628	1.1
291.19495	1.2
305.08911	4.9
323.09799	2.0
388.53378	1.0
397.13547	100.0
398.13916	9.4
415.14630	36.7
416.14813	3.5
503.53308	1.1
677.37653	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	736.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.6
59.01382	50.2
59.07085	2.3
61.98837	10.6
71.01385	22.6
73.02964	10.4
75.00851	2.6
80.05065	6.2
83.01405	4.9
85.02955	8.3
87.00889	4.6
89.02466	7.4
96.96035	17.1
97.60243	2.2
99.00889	3.4
101.02457	14.5
106.06648	6.6
107.03799	5.2
113.02450	7.6
122.06130	37.1
125.02429	4.6
134.03796	3.0
134.06133	8.9
149.04556	3.6
152.07187	40.3
171.06187	2.2
188.07191	4.9
199.13321	2.5
213.10298	8.3
227.11778	3.4
239.11880	11.4
241.13405	7.4
245.13042	6.3
251.11992	2.9
253.09714	3.7
265.09863	4.6
267.11459	2.9
277.09836	3.6
278.07120	3.4
278.10449	2.4
279.07919	2.4
285.12372	17.5
293.09320	9.5
293.12943	7.7
294.09998	3.8
295.10828	11.1
303.72757	2.3
307.10834	2.6
313.11615	2.3
323.10388	3.4
327.25458	2.5
337.08142	6.8
338.08698	2.3
339.09833	2.5
339.25272	12.0
351.09769	3.1
357.26483	19.1
358.15439	5.4
384.13672	3.3
400.16644	8.1
401.17233	2.8
412.16742	3.4
459.17807	3.7
460.18735	6.8
501.30768	10.3
503.17279	4.0
504.17914	10.5
518.19641	6.1
519.31763	22.2
550.21948	12.6
560.31641	9.1
561.32819	100.0
565.24530	23.9
566.24835	4.5
597.26489	5.0
609.23682	19.9
610.23438	3.5
641.26208	95.9
642.26825	21.5
673.28882	49.0
674.29370	13.3
693.37238	34.1
737.36102	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	737.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75898	0.5
58.02969	1.8
59.01383	3.4
60.69843	0.5
62.24675	0.5
63.02412	0.5
70.02982	1.0
71.01407	2.5
71.55396	0.7
72.00922	0.6
72.04562	0.6
73.02950	0.5
74.02482	8.6
75.00910	0.6
85.02940	0.9
87.00845	0.9
89.02454	0.7
96.96056	0.8
98.02486	2.1
101.02464	0.9
107.01415	1.0
113.02422	1.4
116.03535	1.8
116.05062	4.0
125.02446	0.6
130.06644	0.6
133.02950	2.9
134.03745	0.5
149.02480	0.8
151.00356	2.8
159.09267	0.7
175.04002	1.7
185.43202	0.5
193.01587	0.5
199.03996	1.5
201.01991	0.5
201.10378	0.6
203.08258	9.4
203.12888	1.1
204.31104	0.5
205.05019	0.6
209.04634	0.6
243.03293	0.6
245.09322	20.7
246.09505	1.1
256.03720	2.2
283.02396	0.7
284.00027	0.7
284.03284	41.6
285.04056	85.3
286.04388	7.1
289.00586	0.7
297.04413	0.6
327.05167	1.3
447.09341	100.0
448.09674	13.2
557.21832	0.6
605.24487	0.9
737.29285	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	735.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	2.4
59.01386	47.9
71.01385	25.3
71.54929	1.6
71.55279	1.6
72.99319	1.4
73.02948	5.1
83.01380	2.4
85.02956	6.2
87.00871	1.6
89.02450	20.5
95.01377	1.9
95.05010	1.6
96.96009	2.7
99.04520	5.5
101.02443	11.6
111.04540	2.0
112.77240	1.3
113.02428	7.4
119.03510	3.9
135.04555	1.3
137.06073	1.9
138.08818	1.2
147.04568	1.8
147.11819	1.5
148.04147	2.4
148.05319	42.5
149.05704	2.0
161.04572	2.5
161.13339	8.3
163.07658	33.6
164.08008	2.8
185.09735	1.2
185.13396	3.2
187.11293	19.9
200.73381	1.3
203.14345	3.4
205.12338	15.7
206.12918	1.3
219.13899	2.7
229.10324	1.3
229.12386	7.7
231.10229	1.4
239.07153	1.6
247.13397	3.5
249.11404	12.0
291.12558	3.0
323.13470	9.9
348.59390	1.3
351.14462	1.4
351.92764	1.2
411.16486	1.8
429.17697	7.9
471.18793	1.9
511.25534	6.1
531.20776	1.7
555.24500	27.1
556.24792	7.4
559.31360	2.7
591.22925	2.5
735.30835	100.0
736.31146	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.7
58.00599	2.0
59.01389	47.2
68.97027	1.4
69.03454	1.5
69.49168	9.6
69.49583	2.5
70.87958	1.4
71.01388	34.8
72.89136	1.5
72.99342	1.7
73.02950	5.7
81.03439	2.3
81.41303	1.4
83.01379	4.1
85.02972	7.1
85.88350	1.4
85.88971	1.3
87.00889	6.6
89.02456	26.3
89.73901	1.7
91.04004	1.5
93.49310	1.5
95.01370	2.7
97.02959	4.4
98.19967	3.7
99.00891	2.9
101.02450	26.2
111.04559	2.2
113.02464	14.1
119.03494	6.4
125.02460	11.0
131.03555	2.0
143.03499	4.8
147.51961	1.4
151.77222	1.4
161.04539	5.6
179.05617	6.2
235.08221	13.7
253.09428	2.2
263.07550	2.2
277.21738	79.0
278.21982	9.1
287.07712	4.0
305.08774	2.9
384.33893	1.7
397.13550	100.0
398.13968	9.5
412.29544	1.8
415.14606	32.7
416.14819	2.3
467.94971	1.5
602.80811	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	735.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86562	0.7
59.01385	4.1
61.98841	2.2
69.21266	0.7
71.55185	1.2
77.68086	0.9
80.96515	0.9
86.97803	0.8
88.98777	1.5
107.05003	3.7
109.06615	2.2
130.34976	0.9
135.04546	5.7
157.06569	3.4
159.08180	3.7
172.08907	1.2
173.02472	1.9
182.07430	1.3
184.62321	0.8
187.07637	2.4
195.08195	1.6
201.05669	0.9
204.07890	0.8
214.06392	1.0
225.09279	3.3
226.09982	3.5
237.12854	18.4
238.13162	2.3
241.09299	0.8
247.11293	1.9
248.11900	0.8
252.71056	0.9
261.12851	0.8
263.14465	10.8
272.26559	0.7
277.21643	1.3
279.13766	1.1
281.15472	15.5
282.05383	1.2
282.15808	1.4
307.13416	100.0
308.13708	9.2
325.14468	64.3
326.14737	7.5
393.28781	0.8
555.28571	2.4
735.28668	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	735.309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03439	1.3
58.00603	1.5
59.01386	39.4
60.01723	0.9
71.01389	24.0
71.55434	1.0
72.99310	1.7
73.02944	3.0
76.27345	0.8
83.01385	2.3
84.72258	0.9
85.02979	5.4
87.00845	1.3
89.02447	16.1
95.01377	2.1
96.96005	3.7
99.00900	0.8
99.04524	3.4
101.02457	11.6
107.90354	0.8
111.04528	1.6
113.02468	9.8
119.03500	5.9
119.05102	0.8
125.02467	1.1
134.03783	1.4
135.04538	0.8
147.11801	1.9
148.08963	1.2
161.12425	0.7
161.13390	8.8
162.13736	0.9
179.05617	1.9
185.09694	1.6
185.13367	4.3
187.11302	16.8
188.11668	1.7
193.05043	1.4
203.14388	3.0
205.12329	11.0
219.13931	1.7
229.12396	7.8
247.13374	3.2
249.11351	5.9
289.85516	0.8
291.12546	2.6
323.13480	8.3
346.27789	0.9
429.18085	1.8
511.25320	6.3
512.25696	1.1
527.14447	0.9
531.20660	1.2
555.24518	10.9
556.24811	2.3
573.25140	1.2
650.50677	1.0
735.30853	100.0
736.18732	1.7
736.31140	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	735.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
58.00592	2.2
59.01385	47.0
60.01740	1.4
60.99994	1.0
69.64484	5.7
71.01390	26.6
72.99297	2.9
73.02952	2.5
75.00869	2.0
83.01398	3.3
83.05030	1.9
85.02959	6.3
87.00874	3.2
89.02454	19.1
93.03445	1.3
95.01382	2.6
95.05057	1.0
96.96015	7.4
98.20670	1.2
99.00882	1.5
99.04535	5.1
101.02455	14.3
105.07098	1.1
107.05042	1.2
111.00856	1.1
111.04520	1.6
113.02467	9.2
115.03967	1.0
119.03474	4.9
125.02441	1.2
131.03496	2.8
135.04503	1.3
147.11769	1.5
149.04565	1.5
161.04605	1.4
161.08189	1.4
161.13367	11.8
162.13666	1.2
179.05629	2.8
185.13406	4.9
187.11314	17.0
193.05154	1.5
203.14418	2.8
205.12354	12.3
208.40587	1.0
229.12350	7.6
230.12619	1.2
231.10165	1.2
247.13467	2.3
249.11319	10.9
249.80042	0.9
259.13492	1.2
291.12466	2.1
323.13434	4.4
411.16644	1.2
429.17581	2.9
441.11475	1.2
511.25473	4.8
555.24426	20.4
556.24689	3.5
735.31018	100.0
736.21112	1.4
736.31525	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	733.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.7
58.00576	0.8
59.01383	13.7
64.85975	0.9
68.99825	1.4
69.37356	2.9
69.37772	4.6
71.01389	16.3
72.99316	5.9
73.02946	1.8
74.05704	1.0
75.00877	19.0
83.01392	1.8
83.05044	1.3
84.02180	0.9
85.02956	19.6
87.00883	6.7
89.02448	3.5
89.26840	1.0
95.01385	4.6
98.19832	1.8
99.00885	10.9
103.00372	3.1
113.01723	1.5
113.02460	20.0
114.66992	0.9
115.00381	2.1
117.01942	2.6
125.09746	2.3
127.11286	1.6
129.01891	1.7
137.09668	1.1
161.34268	0.9
162.03230	1.8
163.11263	1.5
171.10304	1.3
175.02419	2.5
201.09586	1.3
201.11342	18.1
202.11774	1.2
204.07977	1.1
209.11868	18.8
227.12834	1.5
240.07938	1.1
249.06068	2.6
252.07964	1.2
255.23302	85.2
256.23669	8.6
295.13486	1.9
475.34235	0.9
477.19766	1.3
505.30356	1.8
689.29462	1.5
689.41016	12.2
690.41748	3.5
715.42773	55.9
716.42938	14.6
733.29163	6.4
733.43805	100.0
734.28064	3.1
734.44080	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	733.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02895	0.9
59.01385	15.5
59.89709	1.1
61.98840	1.4
67.44479	0.9
68.37342	1.0
69.38112	8.4
71.01389	2.5
71.05038	7.3
85.02964	1.1
92.82472	1.0
95.01391	2.7
96.96024	3.3
98.20599	2.3
107.05028	1.9
109.02957	1.8
110.52058	1.1
119.05054	2.0
121.02965	2.4
123.00925	5.1
124.01728	5.4
135.04541	7.5
137.02383	2.4
147.04559	2.1
148.01642	2.0
148.05365	1.2
149.06140	3.0
151.04048	2.2
163.00085	1.1
163.07687	1.3
165.01964	1.1
187.07652	12.4
189.09238	4.7
200.08543	1.4
207.06874	1.3
207.10263	31.1
208.10582	2.5
215.10703	2.3
223.07642	3.3
224.08542	3.0
225.09235	26.8
226.09978	8.0
233.11845	4.3
235.07635	1.6
237.09242	27.1
238.09877	8.4
239.10759	15.7
239.13139	1.7
240.11389	3.2
241.12335	15.1
251.07069	1.8
252.07993	6.3
253.08589	1.6
253.12378	13.0
254.12793	1.8
257.08298	1.1
269.08249	9.6
270.08752	1.2
272.10562	2.9
277.12338	3.3
278.08035	1.0
278.13028	3.7
279.14078	2.4
291.14038	2.0
292.07205	6.0
293.12137	1.3
293.15485	35.8
294.15802	4.8
295.13373	2.1
296.14047	1.4
307.09576	7.3
309.15027	12.5
310.15439	1.4
311.16550	57.1
312.16791	6.9
325.14368	4.1
333.14780	10.2
348.31769	1.1
349.14386	2.3
355.15540	98.9
356.15900	10.4
369.09421	2.6
375.12244	1.5
377.13733	100.0
378.14142	11.3
400.06546	1.3
421.12701	18.5
422.12970	2.6
509.51263	1.1
544.20477	1.1
733.29987	58.5
734.30231	17.1
764.41290	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	731.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65036	0.8
58.45540	0.9
59.01372	2.0
60.99313	18.3
61.98824	1.1
67.25925	0.7
71.01371	1.0
71.37468	0.8
73.46143	1.0
87.00893	11.1
88.00408	3.1
88.98817	100.0
89.02454	38.0
89.99142	0.9
93.34949	0.9
96.95987	1.1
113.23647	0.8
197.83141	0.9
225.00871	0.9
244.61725	0.8
290.13232	0.9
433.76324	0.9
438.13437	1.9
439.13983	2.4
467.13751	1.3
469.89136	1.0
481.15271	14.7
482.15652	7.4
483.16092	1.2
495.16821	1.5
497.18289	3.1
514.14886	8.0
515.15027	1.8
525.14563	1.2
528.16461	1.2
540.16492	3.8
541.16541	1.6
555.18945	40.6
556.19110	12.4
572.15411	6.8
573.16046	1.3
574.15698	1.0
641.22711	2.4
642.22211	1.3
659.23694	25.8
659.34790	1.6
660.23920	6.3
731.25281	9.5
732.25922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21123	0.2
53.35765	0.2
59.01384	0.6
60.75277	0.2
63.83807	0.2
66.20734	0.2
68.04227	0.2
71.01383	0.5
89.02471	0.3
93.03477	1.0
108.02193	0.7
109.02995	0.2
113.02441	0.3
119.05037	92.1
120.05380	5.1
137.02457	0.7
137.06036	0.3
152.01147	1.5
153.01466	0.5
161.13303	0.2
163.04021	100.0
164.02945	0.3
164.04341	5.0
205.04985	0.2
229.40498	0.2
325.09311	12.5
326.09537	1.3
569.14673	0.7
694.98474	0.2
731.18884	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	733.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	7.1
59.01385	33.6
60.01719	0.4
70.02988	5.6
71.01387	3.9
71.54867	0.5
72.00909	1.6
72.04549	1.2
73.02951	1.3
74.02482	34.3
85.02946	1.9
87.00868	0.5
89.02471	0.5
90.53023	0.4
95.01402	0.5
98.02477	8.9
99.00877	0.8
101.02453	1.3
111.08146	1.3
111.21725	0.4
113.02462	1.7
116.03563	8.6
116.05073	14.7
130.06627	1.4
139.07663	7.3
142.06613	2.7
154.06429	0.4
159.09319	3.2
161.04576	1.6
183.09271	0.5
183.73915	0.5
186.05571	0.7
201.10336	3.1
202.10736	0.5
203.08276	38.7
204.08589	2.4
205.78612	0.4
245.09314	100.0
246.09647	8.1
269.63077	0.4
339.14578	1.1
357.15533	2.4
399.16641	10.5
400.16904	1.1
444.48682	0.4
681.62732	0.5
733.28107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89343	1.7
55.22551	1.6
56.30257	1.8
59.77466	1.7
61.98816	7.4
66.33829	1.4
69.50278	11.0
86.01802	1.7
96.96025	3.3
119.01677	1.6
129.07166	1.7
154.63213	1.8
157.06601	32.1
158.06958	2.3
159.04543	2.4
175.07622	5.8
195.25008	1.7
201.05598	26.2
202.05824	1.8
219.06630	3.5
293.04700	2.0
293.21216	2.2
326.40872	1.7
351.08597	1.9
374.98264	1.6
399.15689	2.5
441.16962	4.0
467.14520	2.4
471.17538	1.6
472.18814	2.4
509.59915	1.6
613.25751	2.3
671.26923	3.3
689.27667	14.6
690.27960	3.9
715.25641	18.6
716.25757	5.8
720.02075	1.9
733.26508	100.0
734.26624	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.3
61.98844	1.5
71.01375	2.0
85.02963	0.4
89.02471	1.3
96.96021	0.6
101.02470	1.2
113.02458	0.7
116.92931	0.4
123.08290	0.4
125.09742	0.9
127.11286	1.5
127.12972	0.3
139.58437	0.4
153.09250	0.6
161.04597	0.7
171.10281	100.0
172.10631	4.0
179.05598	0.4
209.11844	0.8
210.12236	0.5
235.08298	1.8
253.09305	5.2
254.09682	0.5
277.21744	49.0
278.22125	4.8
279.92053	0.4
281.24509	0.3
407.19263	2.8
424.69116	0.3
645.37067	0.4
712.14685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25424	0.6
52.24764	0.5
59.01386	3.5
65.35781	0.5
69.03468	0.9
69.67464	0.5
71.01387	3.4
71.55072	1.0
72.99326	1.2
73.02940	1.1
85.02967	2.3
87.00895	1.3
89.02482	1.3
93.03469	30.4
95.01388	0.7
96.95997	0.8
97.02997	0.6
99.00890	0.8
101.02467	1.5
107.05038	0.8
108.02190	41.2
109.03002	8.2
113.02457	2.1
119.05043	89.7
120.05337	2.8
121.02960	1.2
123.00913	0.5
129.02023	0.6
133.01431	0.8
134.03758	0.7
135.04539	1.9
137.02458	33.6
137.06096	17.4
137.07170	0.7
138.02776	0.8
138.06491	0.7
149.02444	2.1
152.01167	72.2
153.01871	4.0
160.67241	0.5
161.04633	1.0
163.04027	100.0
164.04420	3.9
166.02640	0.7
167.03491	0.7
177.01936	1.6
179.03474	1.5
179.82843	0.6
181.05043	3.8
191.03523	0.7
193.05125	0.9
198.24338	0.6
202.05827	0.5
207.03114	0.7
219.03093	0.6
238.23672	0.5
278.15836	0.5
297.06122	0.8
315.07220	1.1
320.67410	0.6
325.09305	17.5
326.09583	1.3
343.10440	1.8
355.07971	0.7
429.10388	11.2
430.10693	1.0
443.12189	0.7
447.11456	7.2
471.11197	1.3
567.13568	33.6
568.14178	4.3
609.14301	1.6
710.44165	0.6
729.18811	47.8
730.18994	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26349	0.6
57.97153	0.8
59.01397	1.1
61.98822	3.2
64.16190	0.8
65.98962	0.6
70.92255	1.0
70.92608	1.4
71.05030	1.3
72.01691	0.6
74.51249	0.7
75.00903	0.7
80.02676	1.8
95.01412	2.3
96.95993	0.8
108.02187	54.0
109.02515	1.4
116.97281	1.1
121.02985	1.1
123.00923	4.1
123.04539	37.6
125.02470	1.1
125.09732	0.7
134.03769	1.0
137.02419	1.2
138.03246	2.0
149.06090	2.0
151.00369	1.5
152.01186	2.2
164.04843	0.7
165.01953	4.3
165.05553	0.7
167.03513	100.0
168.03862	5.1
171.44487	0.6
176.01204	1.5
178.02678	0.7
180.04301	5.7
190.02841	0.8
193.01436	15.3
194.01759	0.7
195.06650	3.0
207.10210	3.4
208.03789	24.5
208.10432	0.8
209.04057	1.0
212.04883	1.6
214.02658	1.0
220.58138	0.7
223.06137	58.3
224.06473	5.2
237.09183	4.2
238.09990	1.6
240.04218	4.1
241.12280	0.8
253.12389	3.1
255.06628	4.1
271.06235	0.9
293.15497	4.2
299.05627	5.5
309.14981	3.1
311.16605	10.0
312.17044	1.3
314.08057	2.5
325.14426	1.2
329.10394	4.6
330.10922	1.0
355.15552	26.7
356.15939	3.0
363.63828	0.8
373.09323	18.8
373.16681	2.2
374.09662	2.2
460.59879	0.9
729.25323	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	727.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	50.2
61.98848	7.6
69.81648	18.6
71.01396	19.8
71.40004	5.8
85.02972	7.3
87.00909	8.2
89.02456	24.5
96.96019	21.7
101.02439	14.1
103.25029	4.7
113.02470	15.1
155.23544	4.7
161.04501	6.8
189.15544	4.9
235.08241	7.5
235.17097	9.6
275.20288	11.5
293.21198	72.2
328.51089	5.0
397.13531	100.0
398.13968	6.2
415.14548	39.9
638.78125	6.0
691.35138	8.5
727.33258	61.9
728.33606	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	727.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88261	4.4
56.25068	4.3
59.01384	65.0
61.98836	23.0
71.01406	29.1
71.55105	6.6
73.02950	11.0
85.02966	9.8
87.00882	8.2
89.02457	11.5
93.03463	48.5
96.96032	45.2
101.02473	13.7
113.02465	15.3
125.02435	5.8
137.02461	100.0
150.06886	18.4
163.07729	11.7
179.10803	5.8
208.05357	4.8
209.11800	5.7
235.08142	5.1
283.06244	5.5
285.12363	6.4
293.21249	100.0
294.21582	9.1
362.47537	4.9
385.55859	4.4
397.13403	39.9
398.13931	5.9
415.14609	34.1
479.37637	22.1
607.25586	13.2
651.25159	6.3
683.40955	7.6
691.35461	7.1
727.33154	40.9
728.34125	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	727.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39013	3.7
59.01382	49.3
59.04374	3.0
61.98832	19.9
69.03453	3.3
69.51242	22.6
71.01385	21.3
72.02278	3.5
73.02969	8.1
83.05009	3.8
85.02954	6.3
87.00853	4.6
89.02458	11.7
93.03449	12.3
93.75258	3.3
96.96016	22.3
97.52830	3.0
98.95586	4.7
99.16824	3.3
101.02483	16.4
101.03029	3.6
113.02409	5.9
119.03546	7.2
137.02446	15.4
144.33359	4.2
149.02396	3.7
150.06866	9.3
163.07649	7.2
168.15875	3.3
173.88190	3.4
177.09167	3.6
195.13962	5.7
209.11948	6.2
235.08195	4.0
267.06824	4.3
283.06116	4.7
293.21280	100.0
294.21606	9.4
316.58054	3.3
363.18192	4.5
397.13562	42.3
398.13907	4.8
415.14548	47.5
478.36636	8.2
479.37509	19.2
539.27405	3.6
573.77057	4.1
683.39600	6.1
691.35718	17.8
692.36066	4.3
727.33099	45.4
728.33698	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	727.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92632	1.3
55.01871	2.9
57.03465	7.0
59.01386	39.7
65.03950	1.8
67.01903	2.7
68.99784	1.4
69.03459	10.9
70.22971	2.0
71.01385	23.2
72.99326	2.7
73.02956	16.1
81.03461	3.9
83.01398	6.7
83.05035	3.3
85.02959	58.8
87.00883	100.0
88.01241	2.3
89.02460	1.7
93.03445	5.9
95.01398	20.8
97.02964	32.1
99.00920	3.1
99.04527	3.5
101.02452	2.9
103.04027	11.1
108.02184	1.7
109.02937	8.9
111.00905	10.2
113.02454	20.5
115.00373	11.0
115.03979	2.8
115.95326	1.2
121.02987	2.0
123.04539	1.4
125.02448	2.4
127.04019	17.1
129.01950	3.3
137.02451	4.6
138.16714	1.2
139.00378	17.0
145.05078	7.9
149.02451	1.9
153.01950	1.4
155.03497	4.3
157.01451	11.5
167.03419	1.3
169.05042	4.1
170.56332	1.3
171.02924	2.0
173.04568	3.8
175.02486	64.2
176.02765	1.7
178.47366	1.4
181.01492	2.5
195.21272	1.2
199.02499	39.9
200.02785	2.6
215.05722	1.3
217.03535	25.5
219.21046	1.2
259.08194	1.4
285.06339	2.8
303.07227	21.3
321.08148	5.7
323.13574	1.9
345.08325	8.0
361.16373	1.4
380.92780	1.3
387.09384	16.4
388.09622	1.6
405.10303	8.4
563.12408	2.5
623.14636	8.9
667.16473	1.4
685.18719	2.4
692.85004	1.2
709.18488	16.8
710.18890	3.1
727.19281	14.2
728.19629	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	725.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01721	1.3
61.98840	2.0
64.55892	0.3
66.16563	0.3
66.95949	0.3
68.03908	0.3
71.01380	1.7
72.99338	0.4
73.02966	0.5
82.95428	9.4
83.02502	0.3
85.02974	0.4
89.02502	0.6
90.63570	0.3
95.01369	0.3
98.20637	0.9
101.02436	0.8
111.19814	0.3
113.02497	0.6
145.38048	0.3
167.33894	0.3
209.11781	1.9
210.12289	0.9
238.58871	0.3
273.22446	0.6
277.21753	31.5
278.22095	4.3
283.02094	0.3
291.23358	4.6
292.23743	0.5
319.22934	1.2
433.80011	0.3
481.15799	1.2
482.16104	0.4
514.15204	0.7
540.17688	0.3
555.18817	2.6
572.15692	0.5
608.41571	0.3
641.23407	0.8
642.23645	0.6
674.22931	1.2
682.25800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.0
62.41674	1.0
63.96018	1.0
69.45532	6.9
71.01388	14.7
72.99310	3.0
75.00876	1.4
87.00864	2.1
89.02451	4.2
93.03468	4.6
96.96050	1.6
98.19965	1.8
101.02427	1.9
108.12141	1.1
114.09201	1.0
115.00378	32.6
119.05037	21.3
120.05346	1.4
121.02958	3.8
125.02428	1.1
133.01442	100.0
133.02879	9.1
134.01801	3.2
134.03748	1.4
138.05650	1.5
147.04485	1.0
149.02513	1.2
152.01231	1.5
161.02419	1.3
163.00349	1.6
163.04019	32.5
164.04384	1.3
175.02396	1.3
175.03976	3.1
177.04082	1.0
179.03482	1.4
201.02013	1.6
237.03941	1.4
253.04874	1.6
279.05164	4.8
284.03302	5.2
285.04047	10.8
286.04306	1.3
297.04034	16.5
298.04840	13.1
299.05542	9.6
311.05615	3.6
325.03589	1.5
327.05112	42.3
327.09027	2.2
328.05359	3.7
329.06531	1.1
339.05090	5.5
357.06165	36.5
358.02298	1.1
358.06320	4.9
369.05887	2.4
429.08188	4.1
447.09335	92.7
448.09637	12.2
531.17322	1.3
585.04596	1.1
629.40826	1.1
727.20270	2.2
750.87732	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	723.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
58.00580	0.6
59.01386	21.8
61.98818	2.0
69.03452	0.8
71.01012	0.7
71.01386	11.5
71.54968	0.5
72.99302	1.1
73.02955	4.6
75.00863	0.6
79.41840	0.4
80.13680	0.5
83.01383	2.1
85.02961	5.1
86.00075	0.5
87.00871	2.8
89.02443	2.8
95.01383	0.9
96.96026	4.1
97.02939	1.0
99.00884	1.3
101.02457	5.5
106.03231	0.5
111.00877	0.7
112.01661	0.6
113.02460	2.6
116.92905	0.5
121.02946	0.6
124.01695	1.1
125.02448	2.0
131.03470	0.6
141.12900	1.2
149.04539	1.2
155.14423	0.9
248.10793	0.5
295.26370	0.5
297.27969	0.9
325.27487	1.4
341.27042	0.6
343.28546	21.7
343.32785	1.0
344.28900	2.9
349.46066	0.5
357.30078	0.8
383.27908	0.7
385.29611	1.3
487.32843	12.5
488.33078	1.8
505.33868	30.1
506.34174	4.5
519.19757	0.8
529.33313	0.6
547.34900	100.0
548.35236	16.2
637.37958	1.6
679.39056	23.9
680.39124	4.7
723.33014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.2
59.01386	5.9
61.98838	2.1
69.03458	0.3
69.82140	0.7
71.01385	3.7
72.99303	0.2
73.02960	0.9
75.00891	0.2
80.02684	0.8
81.03465	1.0
83.01398	0.6
83.05035	5.2
84.02177	0.4
84.05351	0.2
85.02940	1.2
87.00885	0.9
89.02458	2.2
95.01408	0.3
95.05058	0.6
101.02448	2.8
103.04023	0.3
109.68540	0.2
110.45345	0.2
113.02449	1.7
119.03501	0.6
125.02412	0.4
125.06098	0.6
133.05132	0.3
135.08136	0.4
137.09831	0.2
143.03496	0.4
145.05070	0.6
157.45731	0.3
161.04623	1.3
163.11311	3.7
165.12860	2.5
179.05576	0.4
181.12309	0.6
183.13878	0.2
191.10771	0.7
199.13399	2.8
207.10356	0.2
209.11841	100.0
210.12178	7.1
211.13446	0.5
225.11290	0.3
227.12903	18.1
228.13150	1.0
229.14371	0.2
229.98093	0.2
235.08237	3.2
237.09251	0.2
253.09290	10.0
254.09677	0.5
271.02493	0.3
277.21732	78.8
278.22095	9.2
278.24423	0.1
293.21457	0.3
295.22382	0.2
313.10785	0.3
373.24664	0.3
387.19269	0.2
391.18527	0.3
445.20703	0.7
463.21881	1.6
464.00970	0.2
464.22107	0.3
469.33167	0.3
485.04889	0.2
522.28979	0.2
723.29767	0.6
723.43469	0.8
724.32013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
57.03457	0.3
59.01383	3.3
61.15421	0.2
61.98831	0.9
69.33548	1.4
71.01388	2.8
71.04979	0.3
72.99312	0.2
73.02950	0.6
80.02679	1.2
81.03452	1.3
83.01382	0.4
83.05032	4.4
84.02179	0.6
85.02972	0.7
87.00893	0.6
89.02451	2.1
90.55428	0.2
93.03462	0.2
95.01395	0.2
95.05042	0.8
97.02984	0.3
97.06587	0.3
101.02451	2.4
109.06654	0.4
109.92681	0.2
113.02457	1.2
119.03497	0.5
125.06100	0.7
128.98264	0.2
135.08176	0.7
143.03442	0.2
145.05057	0.4
161.04568	1.4
163.11310	2.9
164.11613	0.3
165.12860	2.1
171.32379	0.2
175.94011	0.2
179.05595	0.5
181.12366	0.6
188.56027	0.2
191.10796	0.9
209.11841	100.0
210.12181	6.5
210.14247	0.3
227.12909	10.5
228.13185	0.8
235.08232	2.8
247.16933	0.2
253.09306	9.0
254.09763	0.2
259.20761	0.2
275.19995	0.3
277.21738	70.4
278.22073	7.1
313.44330	0.2
445.20819	0.6
723.43756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05584	0.6
53.82727	0.5
55.01880	0.7
57.03438	1.8
59.01115	1.0
59.01385	17.4
61.98839	0.8
64.05080	0.6
65.16016	0.7
69.31459	3.1
69.31889	2.4
71.01385	11.4
72.99305	2.2
73.02944	3.3
75.00874	2.0
76.90576	0.7
83.01399	1.5
83.05069	0.7
85.02961	4.0
87.00890	2.0
89.02453	4.5
89.93642	0.6
93.03465	1.3
95.01407	1.4
96.96008	4.5
97.97167	0.6
99.00906	1.5
99.04546	0.8
101.02446	5.7
108.02197	6.9
113.02470	5.4
118.06644	1.0
119.03488	1.5
121.02144	1.2
121.02963	11.3
122.06143	0.8
123.06892	2.2
124.07706	0.8
125.02455	1.6
132.02231	1.5
133.02937	1.1
134.03761	1.0
135.02991	1.9
135.04518	1.9
138.01984	78.0
139.02292	2.8
143.03511	0.6
145.02995	0.7
146.06113	6.2
147.04526	3.1
149.02452	57.2
149.04401	1.6
150.02795	2.3
152.01164	2.6
155.10818	0.6
160.01685	1.4
161.04617	1.0
161.06134	0.6
163.04001	2.5
164.04813	41.0
165.01967	0.7
165.05193	1.6
168.00688	1.2
175.00392	3.0
175.03986	2.0
177.01984	0.7
179.05684	1.1
179.07069	4.5
188.10477	0.7
190.02722	6.1
193.01482	3.4
193.05016	1.5
205.05063	8.7
208.03787	10.2
213.10127	0.8
223.06126	100.0
224.06453	7.0
227.08275	3.0
235.06107	0.9
241.09840	5.2
242.10490	1.2
243.64116	0.7
244.45488	0.8
255.11343	3.1
267.07227	1.3
269.13040	2.0
270.13687	2.7
281.08859	0.7
285.04077	8.2
286.04385	1.8
302.12839	2.5
331.06693	1.9
337.09296	0.6
394.21414	3.0
414.10464	5.6
438.20355	32.5
439.20721	4.0
441.78030	0.6
474.12595	2.2
559.20526	0.7
562.33179	1.0
663.36450	1.0
664.36340	2.4
665.37280	1.0
680.18195	1.2
681.36292	2.9
682.37354	1.0
723.38678	1.1
724.30646	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	721.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20275	0.7
55.01887	1.1
57.03451	1.8
59.01385	81.1
61.49149	0.8
61.98838	9.9
64.94494	0.7
65.36027	0.7
69.47202	5.2
71.01387	22.7
72.99301	0.8
73.02951	8.7
78.95901	0.8
81.03490	0.7
83.01382	3.4
85.02955	12.3
89.02467	4.6
95.01385	2.5
96.96019	5.1
98.19967	1.7
99.00873	3.1
99.57211	0.7
101.02456	12.5
107.05058	1.2
109.06602	4.2
111.00882	0.9
111.04576	0.7
111.74165	0.6
113.02462	8.5
119.03555	0.8
143.03400	0.7
159.03065	0.9
161.04552	1.3
184.05354	1.4
193.05031	0.8
199.07634	1.5
257.97159	0.8
295.43420	0.8
545.33282	1.2
590.91437	0.7
595.38586	1.0
635.38318	1.7
636.38257	1.1
677.39069	100.0
678.39380	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32255	0.8
55.40723	0.8
56.02391	0.7
56.59649	0.8
59.01387	19.3
60.85870	0.9
61.98848	6.4
65.55805	0.8
71.01398	5.5
71.55305	1.0
80.88882	0.8
81.03455	3.2
83.01382	1.1
83.05022	4.0
85.02933	1.9
87.00903	1.3
89.02455	3.9
93.03433	1.2
95.05038	1.0
97.02950	6.0
99.00893	2.1
101.02454	6.1
103.46295	0.9
109.06606	35.0
110.03751	1.0
110.06940	1.2
113.02454	3.1
117.07224	0.8
119.03524	1.3
120.58852	0.9
121.06607	2.5
123.04519	0.9
125.02431	1.2
125.09705	1.0
135.08160	3.5
136.05284	1.7
142.02695	1.7
152.11835	0.9
161.04572	2.1
161.09689	3.1
163.10049	1.6
163.11311	18.3
164.11456	0.9
181.12402	4.1
189.09229	4.5
189.36220	0.9
204.05519	0.9
207.10275	100.0
208.10597	8.0
209.11765	1.5
212.85539	0.9
225.11348	35.5
226.09843	1.1
226.11769	2.3
235.08125	4.6
237.72905	1.0
253.09309	14.7
255.23236	1.6
256.23648	1.1
277.21741	86.4
278.22165	8.4
299.14890	1.5
319.11838	1.0
441.33597	1.6
443.19208	5.7
461.20313	13.6
462.20471	1.8
463.73499	0.9
721.30768	3.0
721.41656	33.7
722.42084	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	721.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
59.01385	100.0
60.01717	1.0
61.98836	7.3
62.10810	0.4
64.11617	0.4
69.34451	0.4
71.01386	9.1
71.54993	0.4
73.02956	3.0
83.01406	1.4
85.02953	4.6
89.02460	0.8
95.01392	0.8
96.96029	2.4
99.00901	1.5
101.02454	5.4
113.02454	3.0
124.31201	0.4
129.01952	0.5
161.04604	3.0
163.07826	0.5
172.89848	0.5
199.07681	0.4
211.32080	0.4
222.07639	0.4
265.74399	0.4
421.24335	0.4
445.10959	0.5
635.41925	3.3
636.42224	0.8
658.26166	0.6
677.39880	14.7
678.40094	3.8
679.41150	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.3
61.98839	15.3
63.02398	0.7
65.00336	1.9
71.01385	3.1
78.61276	0.6
80.02695	0.8
80.84808	0.6
81.03454	1.4
81.39787	0.5
83.01398	1.3
83.05043	4.4
85.02974	1.2
87.00888	0.6
89.02437	1.3
95.05038	0.7
100.97553	0.5
101.02455	2.0
107.01416	2.8
108.02177	1.2
109.02962	2.1
113.02468	1.2
121.02970	1.2
135.00888	1.4
148.01656	0.9
151.00388	8.5
161.02390	0.9
163.00337	1.6
163.11330	3.6
164.01039	0.7
165.12875	1.9
166.25356	0.6
178.99881	4.9
183.04582	0.7
191.10736	0.7
198.03223	0.7
199.03941	1.5
205.61412	0.6
209.11844	100.0
210.12140	5.0
211.03946	0.7
211.13420	1.7
215.03592	0.7
216.04300	1.0
226.02708	4.8
226.11522	0.6
227.03471	3.6
227.10730	1.0
227.12895	11.8
228.03896	0.6
228.98421	0.7
235.08250	1.4
243.03008	13.6
244.03392	1.8
253.09288	8.4
254.02246	5.4
255.03012	20.3
256.03384	1.8
271.02493	71.4
272.02963	7.3
273.03992	1.1
277.21741	51.9
278.22083	4.0
283.02502	1.2
293.21210	1.3
300.02780	71.0
301.03488	29.9
302.03973	2.0
445.20502	1.0
463.08755	2.0
723.30328	66.3
724.30731	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	721.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03456	1.2
58.00601	1.8
58.76554	0.9
59.01384	46.6
63.16204	0.8
68.45159	0.9
69.03458	1.8
71.01016	1.5
71.01392	28.0
71.42609	0.8
72.12977	0.9
72.99305	3.8
73.02938	3.3
81.03490	1.2
83.01404	2.8
85.02951	6.5
85.06621	1.0
87.00889	2.6
88.18005	0.8
89.01942	1.5
89.02457	19.0
89.34668	0.9
94.03003	1.2
95.01398	2.1
96.96014	7.1
97.02943	1.2
97.06623	0.9
98.19852	2.1
99.00882	1.4
99.04537	4.5
101.02450	14.0
107.08650	1.0
111.04524	2.6
113.02465	8.2
119.03535	6.6
121.06578	0.9
122.06120	3.6
134.06160	1.5
135.04530	1.3
137.02420	1.1
143.03534	1.4
146.20718	0.9
147.06615	3.0
147.11879	1.2
148.08925	0.9
152.07181	7.1
159.11807	1.2
161.04614	1.3
161.13380	8.6
165.04082	1.0
179.05585	1.1
182.45816	0.8
185.09753	1.8
185.13380	4.7
187.11302	16.8
188.11562	1.6
201.12817	1.9
203.14468	2.9
205.12349	16.5
206.12636	2.0
219.13882	2.3
229.10406	1.0
229.12318	6.1
231.10272	1.6
247.13457	4.2
249.11343	11.4
250.11534	1.4
265.09741	1.5
267.65875	0.9
277.09680	1.8
291.12469	3.0
309.11966	10.5
351.14395	2.0
355.12872	1.8
388.12817	1.2
411.16617	1.7
417.16650	1.1
429.17737	7.6
431.07144	1.4
463.03906	1.1
497.24124	5.6
498.23959	1.0
529.25897	0.9
531.20776	1.3
535.31299	1.9
541.22949	29.1
542.23407	3.6
553.20868	3.2
559.24335	1.3
591.22906	1.4
595.22058	2.1
597.20020	5.0
629.22729	7.6
630.23199	1.1
639.20886	1.9
657.22028	2.6
683.38904	1.4
689.24786	2.2
721.29291	100.0
722.29675	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	721.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.7
55.40665	1.5
57.03442	1.4
59.01385	54.2
62.41850	1.2
67.10303	1.2
69.03448	1.7
69.55592	10.7
71.01388	31.9
72.99321	3.4
73.02952	8.5
83.01390	5.6
85.02951	7.9
87.00909	2.7
89.02447	21.1
95.01405	2.1
96.96011	12.9
99.04522	3.7
101.02448	19.0
111.04510	1.9
113.02444	10.9
113.45460	1.3
117.03461	1.7
118.98126	1.4
119.03535	8.4
119.05041	1.8
123.04588	1.6
129.05547	1.5
136.04044	10.0
140.52187	1.4
145.02963	6.3
147.06624	1.9
147.11761	2.1
149.06073	1.4
149.38126	1.7
160.01700	2.5
161.13382	9.7
175.04015	2.1
185.09900	1.5
185.13345	3.9
187.11275	21.3
188.11765	1.9
203.14323	2.9
205.12384	12.9
229.12376	5.1
247.13432	2.9
249.11342	4.8
291.12350	2.5
309.11850	12.8
383.13409	1.5
419.18640	1.6
429.17456	1.4
497.23837	8.3
529.26880	3.3
541.22754	13.0
638.88843	1.3
677.30267	2.7
685.40155	3.1
712.90149	1.4
721.29456	100.0
722.29761	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	721.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03444	1.6
58.00606	1.4
59.01383	54.4
61.98812	1.1
69.26739	5.9
69.27154	1.9
71.01389	33.0
71.09164	0.9
71.34360	1.0
72.99315	2.5
73.02962	3.8
75.00870	1.5
79.95750	1.1
83.01394	3.7
83.05044	1.2
85.02950	7.7
87.00893	2.7
89.02454	23.2
93.03460	1.1
95.01408	1.7
95.05031	1.1
96.96014	19.5
98.95608	1.1
99.00893	1.3
99.04531	5.1
101.02457	14.9
107.05048	2.2
109.03001	0.9
111.00913	0.8
111.04535	1.9
113.02455	8.7
119.03507	7.2
120.05737	1.0
129.05588	2.7
133.05063	2.4
134.03767	1.1
135.04543	1.7
147.06612	1.7
147.11743	2.1
148.08905	1.3
149.02463	2.7
151.03984	1.0
159.11813	1.3
161.04555	1.0
161.13354	8.9
164.04796	1.8
175.04080	1.0
178.02525	0.9
179.05606	2.2
185.09741	1.5
185.13324	3.2
187.11307	19.8
188.11613	1.4
193.05141	1.4
203.14392	1.9
205.12321	14.4
206.12688	1.3
219.13893	1.8
223.06163	3.7
229.12343	6.2
247.13400	3.1
249.11455	7.1
277.09323	1.4
291.12439	2.5
309.11920	12.9
353.13992	1.2
429.17700	2.3
497.24103	8.1
529.26550	2.5
541.22906	34.8
542.23328	4.0
559.23090	1.2
591.23474	1.2
677.31482	1.1
683.38104	2.3
685.39813	1.8
721.29346	100.0
722.29504	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	721.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.6
58.00590	2.0
59.01386	46.6
65.20686	0.9
69.03454	1.0
69.44636	7.6
69.84430	0.8
71.01387	27.4
72.99307	1.9
73.02951	3.8
75.00886	1.1
81.03481	0.9
83.01370	2.9
83.05015	1.2
85.02958	6.1
87.00887	1.9
89.02454	17.6
95.01398	3.0
95.05040	1.0
96.96021	7.1
99.00920	1.8
99.04540	4.2
100.83355	1.0
101.02449	14.5
107.08688	1.1
107.45348	0.8
111.04527	1.9
113.02462	9.5
117.03508	1.1
119.03503	6.5
119.04968	0.9
120.05853	1.0
120.24993	0.8
129.05576	2.2
131.03545	1.6
135.04541	1.1
136.04025	3.1
145.02968	4.0
147.06595	1.0
147.11861	1.5
149.02452	1.0
161.04549	1.2
161.13356	9.6
175.03970	1.5
175.78568	1.1
179.05614	1.0
185.13365	3.3
187.11302	18.0
188.11801	1.2
203.14461	2.2
205.12370	9.8
206.12671	1.3
219.13843	1.4
229.12305	6.5
247.13477	3.3
249.11324	5.0
291.12436	1.9
309.11951	12.6
310.12207	1.6
327.69876	1.0
359.04044	1.0
383.13736	1.9
429.17657	2.2
452.46924	1.1
497.23862	5.5
529.26477	1.2
541.22925	14.6
542.23621	2.0
721.29468	100.0
722.29608	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	721.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53999	0.8
56.90703	0.9
104.68081	0.8
116.39150	0.8
124.83881	0.8
142.60645	0.9
170.07368	0.8
224.40575	0.8
275.10852	0.9
307.07932	1.3
363.14154	4.4
365.15771	7.2
420.92694	1.1
436.32819	0.8
482.87039	1.0
563.21814	1.2
579.21869	3.4
615.21637	1.5
627.21680	3.9
628.22052	1.4
629.23932	2.1
653.27527	1.1
655.25580	2.7
669.27002	1.5
684.29431	1.9
685.29840	42.5
686.30078	11.1
721.27533	100.0
722.27905	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	721.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09507	0.7
52.69144	0.6
55.85229	0.6
58.02980	8.0
59.01389	1.1
70.02984	5.9
70.29814	2.5
71.01388	0.8
71.48511	0.6
71.87182	0.6
72.00915	2.3
72.04552	1.3
74.02482	43.7
74.58923	0.7
77.03973	1.3
93.03467	1.1
98.02481	9.4
101.28709	0.8
110.51595	0.8
116.03555	11.3
116.05068	14.0
117.03488	4.3
117.05392	0.8
121.02966	1.2
130.06714	1.0
135.04550	0.9
142.06645	3.8
149.02400	1.0
155.70030	0.7
159.09291	2.9
161.02460	2.6
163.03972	2.3
165.01903	0.8
186.05597	1.3
191.03436	0.8
201.10329	3.5
203.08276	45.2
204.08586	2.4
239.07202	0.9
245.09331	100.0
246.09624	8.3
268.03680	1.3
269.04587	2.7
281.04645	2.6
282.05341	1.9
283.06155	31.2
284.06485	3.1
293.04425	1.5
295.06070	2.3
311.05640	50.2
312.06064	4.7
314.04416	1.0
323.05621	3.0
341.06686	10.5
342.07013	1.3
418.27484	0.6
431.09848	68.2
432.10165	7.6
595.24902	0.8
669.19031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51303	1.3
57.17915	1.2
59.01383	13.1
68.00858	1.3
68.28670	1.1
70.32102	1.1
71.01394	6.7
71.55522	2.1
72.99313	1.5
73.02924	2.0
75.00852	1.6
83.01406	1.2
85.02949	3.4
87.00912	2.2
89.02442	2.3
96.96028	14.6
99.00919	1.5
101.02454	5.4
113.02435	3.1
122.06126	2.3
124.04037	2.8
134.03716	1.7
136.04063	1.8
146.48125	1.8
152.07184	1.7
161.04655	2.0
239.08057	1.6
251.08220	3.3
263.08200	2.1
263.80182	1.6
264.08905	1.6
265.09576	1.5
279.07855	2.2
279.11206	1.4
291.07816	2.1
293.09384	3.5
330.08801	1.7
342.08850	1.7
343.10358	2.0
344.10620	2.8
345.12103	1.3
346.08212	1.6
346.12134	2.0
349.14203	1.9
356.10706	1.8
357.11639	1.5
358.11917	4.1
360.13831	1.6
368.10489	1.8
370.12149	1.6
372.09860	4.5
372.13910	1.8
373.05576	1.2
373.10214	1.5
374.11429	3.7
384.13794	2.6
386.11514	4.8
387.11920	3.3
388.13089	6.2
389.13800	2.2
390.14630	1.6
392.12567	8.2
400.13165	2.6
401.09763	1.5
402.10339	2.7
402.14694	4.4
404.12595	3.6
406.13968	4.7
414.10962	6.3
415.11707	2.3
416.12305	4.4
417.13101	5.5
418.14172	7.5
419.14725	2.8
420.15982	11.3
421.15817	2.0
430.14151	4.2
432.12030	17.5
433.12592	7.2
446.13553	8.6
447.14331	27.7
448.15149	100.0
449.15561	14.7
464.14551	3.6
465.15219	1.6
478.16168	12.4
479.16974	36.1
480.17737	22.1
481.18002	2.6
492.14142	27.2
493.14267	4.1
523.15900	5.5
524.16730	45.2
525.17194	5.6
571.22028	1.8
613.23059	41.2
614.23218	6.8
645.25739	31.4
646.26434	6.1
647.31885	1.6
657.22040	7.7
658.22552	2.2
683.38123	1.5
685.39453	2.1
689.24634	25.8
689.36133	1.4
690.25177	7.0
721.36810	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3042
Annotation	Larixsin
Peak:m/z	Relative Intensity
53.04500	0.8
59.01381	5.0
59.26776	0.9
61.98833	1.9
73.76303	0.7
75.36186	0.9
76.11642	0.8
98.19839	2.0
122.78660	0.8
128.28444	0.8
129.72853	1.1
144.52344	0.9
161.02464	2.4
204.03679	1.1
205.03146	12.5
209.11620	1.1
224.10840	0.8
253.08847	0.9
255.23228	1.2
277.21902	1.1
281.09943	2.4
296.08704	2.6
309.09296	4.9
311.10995	4.4
328.07605	14.0
349.12488	1.1
359.31097	1.0
381.14960	1.1
457.14981	1.0
543.18378	1.1
554.76575	1.0
557.19641	6.5
558.20477	2.0
563.18939	1.5
577.20569	1.5
603.22583	1.3
617.23615	2.1
619.25214	1.9
633.23468	5.5
634.23486	1.2
647.24884	4.0
719.30444	100.0
720.31012	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80221	2.4
51.80893	2.0
52.58680	1.8
60.36129	2.0
61.98837	24.5
71.45490	3.5
81.06129	2.1
88.24697	1.9
95.61510	1.9
99.51154	2.1
102.33260	2.1
104.75800	1.9
161.02480	3.3
204.06033	2.3
219.04759	4.7
221.06146	2.2
239.10678	2.1
267.08560	2.8
281.09967	18.5
283.11676	2.3
305.11832	7.0
309.09329	16.8
311.11035	37.6
312.11353	3.4
333.13028	2.8
349.12589	4.6
365.15717	39.4
366.15988	3.7
402.51779	2.4
410.43390	2.8
457.14621	4.2
473.14108	2.7
541.20563	36.4
542.20538	7.9
557.21729	2.4
561.18201	2.4
563.18835	29.5
564.19415	9.7
571.23413	7.5
573.17584	4.9
577.20471	6.1
578.21179	2.4
580.19482	4.8
585.19995	3.2
587.22559	39.6
588.22919	7.0
588.40002	2.3
589.20404	4.7
601.24249	56.5
602.25061	11.8
603.25787	39.7
604.25342	7.9
617.23700	56.1
618.23669	10.5
620.22028	5.1
631.25189	100.0
632.25873	74.6
633.25531	12.4
634.23785	14.9
649.26257	20.6
650.26727	4.2
664.25006	74.9
665.25214	15.7
701.29431	6.5
719.30426	22.8
720.31036	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	721.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.2
59.01388	1.8
65.20373	0.1
70.22832	0.1
71.01391	0.9
71.54994	0.2
73.02946	0.2
75.00861	0.2
78.21959	0.1
78.54739	0.1
79.95742	3.2
83.01378	0.1
85.02965	0.3
89.02461	0.5
96.96021	100.0
97.62834	0.1
97.95964	0.4
101.02445	0.3
107.11337	0.1
113.02475	0.3
119.03517	0.2
119.19778	0.1
121.98291	0.1
129.01936	0.2
147.06613	0.4
147.41074	0.1
150.02020	0.1
161.04486	0.2
175.07689	0.2
187.11157	0.2
205.12399	0.2
295.60648	0.1
309.11899	0.5
400.21503	0.1
460.37357	0.1
529.26624	0.2
541.22797	0.4
559.18146	0.3
562.81781	0.1
623.15558	0.1
676.34882	0.2
677.35852	0.2
721.30060	0.9
722.29364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.4
59.01385	3.4
61.98830	3.0
64.09283	0.2
64.57972	0.2
69.03474	0.8
71.01389	2.4
71.55238	0.2
72.99319	0.6
73.02956	0.8
75.00870	0.4
80.02705	0.3
81.03467	0.3
82.44409	0.2
83.01389	0.4
83.05032	0.6
85.02959	1.3
85.85563	0.2
87.00883	0.6
89.02473	0.9
89.03971	2.1
96.96021	4.1
99.00875	0.7
99.25919	0.2
101.02445	1.2
106.04274	0.4
113.02477	1.6
117.03477	5.5
119.05031	0.4
125.09754	0.2
129.51416	0.2
129.76042	0.2
131.03516	0.2
132.02197	2.7
133.02957	0.2
134.03752	86.9
135.04074	3.7
135.08148	0.3
137.02443	0.9
139.04016	0.3
147.04623	0.4
148.05318	8.9
149.06094	6.4
150.06470	0.4
151.11296	0.3
160.01662	7.7
161.02148	0.4
161.04610	0.6
161.09679	0.5
163.07657	7.4
164.07980	0.3
165.12854	0.4
175.04018	10.2
176.04390	0.5
178.02727	2.0
179.10843	1.0
184.05368	0.3
193.05066	100.0
194.05391	5.0
197.11830	7.5
198.12253	0.3
199.07588	0.3
209.11826	8.8
210.12192	0.4
227.12822	0.5
241.10684	0.4
253.09241	0.3
300.02695	0.4
369.20926	0.2
411.14557	1.2
439.15979	1.3
481.16931	0.3
499.18091	0.9
515.26526	0.2
543.31982	0.4
643.27484	0.5
675.22943	1.5
676.23260	0.4
687.32324	12.7
688.32916	1.8
719.24750	0.9
719.35718	2.6
720.24811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21798	0.7
55.40802	0.8
55.50246	0.7
57.03437	0.9
58.00595	1.2
59.01385	28.3
61.98827	1.3
65.00313	2.3
69.36359	4.5
69.36808	2.6
71.01388	16.9
71.89724	0.7
72.99305	2.4
73.02955	6.8
79.05532	0.8
80.63299	0.7
83.01374	4.0
85.02972	6.1
86.00095	1.9
87.00885	9.9
89.02454	10.2
93.03437	0.8
93.61497	0.7
95.01381	1.1
96.96017	5.9
97.02947	0.9
99.00916	1.0
101.02451	10.0
103.05526	1.3
113.02454	3.0
116.74947	0.7
116.92899	0.9
119.03490	1.9
121.06644	1.1
131.03513	19.5
131.04993	1.1
133.03008	1.7
134.03726	1.3
137.02455	1.8
139.15993	0.8
144.32301	0.8
146.03789	0.9
147.04518	1.7
149.02437	0.9
149.04594	1.9
149.06001	0.9
159.04581	1.2
161.02473	6.8
161.05991	1.0
163.00407	2.1
163.03989	1.5
165.05536	0.9
171.04532	1.6
173.05989	1.1
175.00450	1.7
175.03995	2.3
178.02861	0.9
188.04762	3.8
189.05580	5.0
191.05661	5.4
196.63568	0.8
203.03535	2.2
205.05048	2.0
207.06573	0.8
209.11896	0.8
215.03546	4.5
216.04253	1.6
217.05025	2.6
218.05977	0.9
227.03505	1.0
229.01457	2.1
232.03828	1.1
233.04507	1.4
242.05811	1.2
242.20128	0.9
244.03767	1.7
273.18634	1.3
278.21967	0.9
305.08270	1.1
307.06149	1.0
333.07626	2.1
339.05029	1.4
349.06940	1.2
353.06400	1.0
359.05792	1.0
367.08109	3.2
377.06671	5.5
378.07346	0.8
379.08224	1.3
392.08948	1.3
393.09875	1.4
394.10544	1.0
407.11545	4.9
409.08838	1.1
424.11789	1.1
425.12698	3.8
495.26080	11.2
675.32495	2.4
704.19965	1.8
719.21942	100.0
720.22272	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03924	4.8
56.48015	4.4
59.01381	19.8
61.98850	23.3
64.59003	4.7
66.55503	4.9
68.32778	5.0
71.01405	12.4
71.54353	8.2
77.08013	4.6
85.62873	5.3
89.02460	10.5
91.19282	4.4
101.02447	11.3
105.85537	4.9
125.02472	8.1
128.12639	5.9
160.21210	5.0
166.35454	4.6
179.05727	4.5
220.99878	4.6
223.03395	4.4
223.07741	5.4
255.23361	7.4
283.26514	33.0
305.08810	5.0
328.05972	4.8
397.13562	100.0
398.14053	6.1
415.14493	19.4
671.91937	5.7
681.40704	11.3
717.39142	57.8
718.30206	14.6
718.41339	8.6
746.51758	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35229	0.8
57.03447	2.0
58.00582	1.5
59.01385	42.2
60.42599	0.9
68.99807	0.8
69.34012	2.0
69.34415	5.2
71.01391	29.3
72.16506	0.7
72.99301	1.9
73.02951	9.4
74.74100	0.8
83.01379	2.9
83.05043	0.9
85.02970	6.9
86.00088	2.7
87.00880	15.1
89.02457	31.3
95.01390	1.3
96.96021	11.6
97.02950	1.3
98.19886	1.5
99.00890	1.1
101.02453	19.5
103.41650	0.9
108.02205	1.5
109.02956	2.2
113.02472	6.3
119.03488	2.2
121.02995	1.0
123.00843	1.9
123.04510	1.1
125.02467	1.5
130.04192	1.3
131.03511	33.8
133.02975	5.1
136.01707	1.4
137.02397	1.1
138.03185	1.5
148.01697	0.9
149.02446	3.4
149.04570	14.8
151.00377	0.9
157.06580	3.0
159.04515	4.5
161.02365	1.1
161.04544	1.3
163.04050	1.3
165.01866	1.3
171.04553	0.8
172.05304	1.0
173.06099	4.3
175.03970	1.2
177.01947	25.1
178.02278	2.1
187.03995	2.8
188.04758	2.7
189.05560	1.0
191.05634	14.6
191.07147	0.9
192.04311	25.9
193.04700	1.4
197.04527	2.3
201.05638	4.2
207.06651	8.6
216.04297	4.8
217.05087	7.9
235.06036	0.9
261.11340	0.8
367.08209	1.3
371.12399	0.9
394.10568	2.0
409.08514	0.7
409.13120	6.2
410.09866	1.8
421.12753	0.8
424.11786	0.9
425.12527	24.1
426.12640	2.9
467.13504	2.3
497.27206	1.6
511.14578	6.6
660.04474	0.8
675.33362	1.1
677.21173	6.6
683.38684	7.9
701.21277	1.5
719.21942	100.0
720.22260	25.4
720.33136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98837	29.9
64.06663	1.7
70.48685	4.2
71.11785	1.6
81.06009	1.8
83.05008	2.8
96.96015	5.6
110.99704	1.6
137.54242	1.6
182.28990	1.7
235.07724	2.4
335.12335	1.8
377.21094	2.3
441.15543	2.2
481.11517	3.2
496.13977	13.6
497.14270	6.9
510.15088	3.9
511.15866	8.9
512.16418	3.1
513.17706	5.9
538.14349	2.2
539.19482	2.6
540.20166	1.9
544.15747	7.2
545.16846	2.1
567.19073	13.8
568.19293	3.3
570.17554	2.1
571.18414	8.8
572.18335	3.1
589.19031	2.9
597.19836	3.3
598.20966	4.7
599.21582	41.0
600.21783	7.2
612.75238	1.9
631.20990	2.1
657.21796	17.0
658.21948	6.5
682.61700	2.2
717.24109	84.7
717.34473	3.2
718.24023	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	717.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59584	0.1
70.41277	0.2
70.41612	0.4
82.09380	0.1
118.00394	0.1
118.45977	0.1
119.05054	0.2
134.03749	0.4
137.02475	0.2
145.20093	0.1
148.01718	0.1
149.02441	0.6
149.06100	1.5
161.02425	0.6
189.09225	0.3
191.10779	0.2
211.11293	0.2
212.08420	0.2
218.15657	0.1
223.88914	0.1
225.09225	31.2
226.09583	2.3
237.09216	8.7
238.09599	0.6
239.10651	0.7
240.11472	0.4
265.12372	0.2
272.10522	0.6
273.10767	0.1
279.13855	0.3
280.14706	0.3
281.08246	0.4
295.17056	38.2
296.14017	0.2
296.17380	3.7
316.35648	0.1
339.16022	100.0
340.16351	11.6
340.20609	0.4
355.15594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56614	0.2
55.85588	0.2
59.01384	0.5
61.98837	100.0
71.01392	0.5
76.88644	0.2
85.32049	0.2
89.02464	0.3
96.96038	0.2
98.19798	0.4
101.02497	0.2
125.02443	0.2
211.29199	0.2
255.23422	0.4
256.23743	0.6
367.64462	0.2
397.13339	0.2
398.14148	0.4
399.14191	0.6
400.14676	0.5
607.54639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98844	10.1
63.31852	2.0
64.14832	1.9
65.02245	1.9
71.55243	2.7
79.95708	1.9
80.96525	4.1
81.46452	1.6
96.95996	4.2
116.92855	4.8
129.70668	1.8
144.09439	1.8
225.00822	1.9
269.26633	2.0
305.61932	1.6
496.14200	12.2
497.14642	5.4
498.15237	2.6
510.15451	5.4
511.15930	5.7
512.16742	3.6
513.17761	4.1
539.17804	2.3
544.15912	5.4
565.06506	1.9
567.18866	10.7
568.20013	2.1
570.17310	3.2
571.18085	7.9
577.26813	5.7
589.19031	2.3
597.19305	2.9
598.20789	3.0
599.21655	34.2
600.21796	9.3
602.16296	4.0
625.19507	3.3
657.22363	19.6
658.21710	3.7
717.24164	82.1
718.24402	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	713.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.9
61.98841	0.6
62.81700	0.3
63.02411	0.6
65.00330	2.2
65.75694	0.3
69.45260	0.8
69.45689	1.1
71.01397	2.0
73.02971	0.9
83.01389	1.2
85.02968	0.7
87.00900	0.4
89.02452	0.7
89.07900	0.3
91.01900	0.4
93.03499	0.4
95.01419	0.6
96.96022	2.2
97.02947	0.4
99.00892	0.5
101.02448	1.2
107.01398	3.2
108.02176	1.9
109.02972	1.2
110.08488	0.3
113.02478	1.2
118.22539	0.3
119.05023	0.4
120.66004	0.3
121.02987	2.7
124.01624	0.3
125.02515	0.6
134.03726	0.5
135.00911	1.1
137.02426	0.5
141.44148	0.3
148.01657	2.2
149.02348	0.5
149.06139	0.3
150.06799	0.4
151.00381	11.8
151.01593	0.6
153.01921	0.4
160.01665	0.9
161.02480	0.4
163.00388	2.4
163.04007	0.6
163.07655	0.3
164.01144	0.6
165.01997	0.4
169.01491	0.5
175.04005	0.9
178.99895	6.3
183.04436	0.5
187.04022	0.7
190.99902	0.4
193.05096	0.8
198.03261	0.4
199.03944	1.4
201.01944	0.3
201.05502	0.4
203.03574	0.7
211.04024	1.4
215.03488	1.2
216.04292	0.6
226.02739	2.1
227.03487	3.8
229.05081	0.8
239.03226	0.4
243.02982	15.0
244.03517	1.1
245.04492	1.0
254.02261	2.2
255.03004	33.0
256.03369	3.0
257.04749	0.4
271.02490	70.4
272.02914	7.0
273.04065	1.0
281.04550	0.4
283.02444	1.2
285.04050	0.6
290.49384	0.3
299.02029	3.4
300.02765	100.0
301.03448	34.4
302.03943	1.9
343.04459	0.8
404.05362	1.0
405.06216	0.7
452.65729	0.3
463.08884	3.2
496.55988	0.3
573.12323	1.3
591.13586	5.6
592.13861	0.7
621.50800	0.3
652.40161	1.7
653.40332	0.9
668.38385	0.3
669.40741	0.3
670.40698	1.0
671.40863	0.3
713.17230	68.7
714.17584	13.3
714.27167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
58.21312	0.2
59.01385	48.7
60.01717	0.5
60.99303	0.2
61.98832	0.5
71.01391	1.6
71.02812	0.3
73.02953	0.6
74.46918	0.2
75.00871	0.3
79.29845	0.2
80.34128	0.2
83.01376	0.3
85.02951	0.7
87.00883	0.2
88.98811	1.8
89.02470	1.0
95.01409	0.4
96.96015	0.7
101.02461	1.0
113.02454	1.0
117.03494	0.5
119.03525	0.3
121.02967	0.4
127.20033	0.2
132.02161	0.2
133.03006	0.3
135.02998	0.8
135.04491	0.2
139.00360	0.4
146.03737	0.5
147.00876	0.2
149.02437	0.4
150.06841	0.6
151.03999	0.4
153.01949	0.3
155.05090	0.3
161.02489	2.3
161.04573	0.6
163.07690	0.4
164.04813	0.5
167.04991	0.5
176.04791	1.8
179.03526	3.4
179.07108	1.2
179.10789	0.3
180.04106	0.2
182.03789	0.3
183.04552	1.1
191.07124	0.8
192.53235	0.2
194.05858	3.6
195.04512	1.9
195.06326	0.3
209.08200	11.2
210.08534	0.4
211.04019	3.4
212.04494	0.2
221.06599	0.3
223.04028	2.0
223.05974	0.4
224.04601	0.5
227.03534	0.4
238.02637	0.3
239.03508	14.1
240.03940	1.0
241.05052	0.7
255.03081	0.4
267.02997	19.7
268.03470	2.7
282.05350	100.0
283.05823	12.8
284.03320	0.7
284.06445	0.5
285.03876	0.3
297.04004	0.6
312.06418	2.6
313.06830	0.4
447.09253	1.7
461.12338	0.6
473.12341	0.7
479.13483	0.3
491.13519	8.3
492.13882	1.1
494.15372	0.2
508.34100	0.4
509.18076	1.5
509.34512	0.3
510.18475	0.3
652.40717	0.2
671.40857	0.2
713.29657	0.2
713.41449	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	713.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	29.2
60.28081	5.0
61.98832	48.3
62.75240	5.6
71.01385	19.4
79.60629	5.1
87.00902	8.6
89.02448	19.5
96.96004	12.7
101.02457	17.3
113.02425	6.5
119.03516	7.1
131.83337	6.1
166.35782	5.1
168.57187	5.8
189.05710	5.1
279.23270	37.3
301.30228	6.2
305.08975	6.3
354.90851	5.7
379.12271	5.4
397.13617	100.0
398.13376	6.2
415.14603	28.5
577.26929	9.2
677.37286	15.4
713.35321	48.5
714.35779	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	715.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36766	1.3
57.03463	2.3
59.01387	9.5
61.98822	4.3
69.52612	1.6
70.38231	4.9
71.01376	10.3
72.99319	4.3
75.00877	14.0
83.05027	4.0
85.02957	14.4
87.00876	4.7
89.02442	3.2
95.01405	3.4
99.00903	8.1
103.00330	1.5
113.02473	13.6
115.00359	2.0
117.01959	2.6
175.02458	2.2
186.16190	1.3
209.11859	18.4
212.98369	1.6
215.32460	1.4
227.12933	3.6
255.23314	53.7
256.23593	3.8
257.62491	1.7
296.50037	1.4
361.14972	1.6
372.10913	1.6
451.56750	1.8
496.65350	1.5
505.30096	3.2
530.21106	1.6
547.27667	1.6
697.41595	2.0
715.30896	8.1
715.42743	100.0
716.30255	4.9
716.43225	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	713.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48267	0.4
55.68698	0.4
56.11993	0.4
59.01387	2.2
59.44158	0.4
61.98820	0.6
63.02400	0.7
65.00328	1.9
68.37602	0.4
70.22179	1.7
71.01385	1.0
83.01411	1.2
85.02993	0.6
89.02454	0.8
91.01892	0.8
93.03460	0.5
96.96024	1.2
97.02968	0.5
98.20602	0.5
101.02441	0.7
101.62495	0.5
107.01406	3.2
108.02194	1.6
109.02954	1.3
111.00857	0.6
121.02961	3.3
132.02190	0.5
134.03749	1.0
135.00923	0.9
137.02498	0.7
145.03026	0.5
148.01698	1.4
151.00386	11.8
153.48563	0.4
160.01671	1.2
163.00427	2.2
163.04074	0.5
164.01100	0.6
169.01482	0.5
169.29289	0.5
175.04008	1.7
178.99884	4.3
183.04590	0.4
187.03963	0.6
193.05072	1.1
199.04004	1.5
211.04074	1.4
215.03497	1.0
216.04314	0.9
226.02754	2.1
227.03542	3.6
229.05147	0.6
240.44212	0.5
243.03012	11.3
244.03487	1.5
245.04488	0.8
254.02208	3.0
255.03004	29.2
256.03421	2.8
271.02496	67.7
272.02933	7.0
273.04044	1.2
283.02533	1.3
294.55865	0.4
299.02124	2.2
299.05225	0.6
300.02771	100.0
301.03461	34.7
302.03885	1.6
302.59793	0.5
335.60062	0.4
343.04413	0.7
404.05649	0.7
405.06351	0.5
413.68765	0.5
431.07886	0.6
463.08954	3.0
573.12732	1.1
581.31293	0.6
591.13544	6.7
592.14099	1.0
623.14099	0.8
669.40125	0.6
688.25586	0.4
713.17249	70.2
713.37561	1.9
714.17560	14.7
714.36505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.6
57.03449	4.2
58.00597	1.1
59.01386	69.4
60.01724	0.5
61.75975	0.5
61.98840	0.5
64.61839	0.5
67.01884	0.5
69.03450	2.4
69.39111	3.6
71.01390	38.3
72.01734	1.0
72.99323	2.6
73.02957	13.0
75.00882	1.8
76.49754	0.4
81.03474	1.1
83.01397	10.1
84.02233	0.4
85.02962	23.7
86.00114	1.2
86.03297	0.8
87.00893	4.4
89.02457	8.3
90.27235	0.4
95.01404	5.2
96.96054	1.3
97.02969	3.9
98.20687	0.9
99.00896	5.5
101.02457	28.9
102.02790	0.5
111.00887	6.4
112.01685	1.7
113.02467	19.6
115.04037	0.6
119.03526	2.8
124.01697	1.9
125.02475	7.5
126.02701	0.5
129.01955	1.3
131.03528	0.6
141.01964	1.3
143.03510	4.5
149.04694	0.5
159.03003	2.7
160.01657	0.5
161.04594	4.0
165.04134	0.4
178.71596	0.5
213.18652	1.0
299.25842	2.4
305.90665	0.5
320.83896	0.5
332.66312	0.5
343.08096	0.7
345.30099	6.6
346.30685	0.7
387.31543	0.6
434.08707	0.5
473.67078	0.6
489.34308	7.4
490.34705	0.7
507.35385	14.0
508.35660	1.8
519.30988	0.5
549.35669	0.5
597.38190	0.4
603.37244	0.9
607.36377	0.7
615.37842	0.7
621.38287	1.2
651.39618	100.0
652.39990	18.8
667.36493	0.7
669.40710	66.2
670.41046	13.3
711.41931	14.4
712.30017	0.7
712.41827	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	711.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
55.32671	0.4
57.03461	0.9
59.01385	100.0
60.01714	1.6
69.94742	1.1
69.95133	1.1
71.01390	10.2
72.99319	0.5
73.02955	3.9
75.00881	0.5
75.28258	0.4
80.29943	0.4
83.01408	2.0
83.79842	0.4
85.02959	5.3
87.00872	0.9
89.02464	0.7
89.64111	0.5
95.01330	0.5
96.96078	0.4
99.00891	1.4
101.02449	8.2
105.03525	0.5
113.02442	3.4
125.02457	0.5
143.03581	0.6
151.00426	0.8
159.03049	1.4
161.04590	4.4
169.01411	0.6
179.03485	0.6
184.47273	0.4
195.05141	0.6
221.73260	0.4
245.09372	1.2
269.10330	11.6
271.02441	0.7
300.02899	2.0
301.03680	1.7
311.11398	4.4
329.82303	0.5
441.05185	0.4
463.09253	1.0
505.10309	1.2
711.26691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47410	0.6
57.03448	0.8
59.01371	1.3
61.48568	0.7
69.44569	0.6
69.56059	4.3
71.05032	4.4
89.75238	0.6
95.01379	1.1
96.96016	1.1
98.20673	1.1
119.05046	0.8
123.00890	3.8
124.01661	3.0
132.17499	0.7
134.03740	0.7
135.04538	4.7
137.02444	1.2
141.77969	0.8
147.04553	1.1
151.04025	0.9
159.04559	0.8
163.07631	0.8
187.07628	6.2
189.09239	3.9
207.10265	20.3
208.10585	1.1
215.10910	1.3
217.15733	0.6
225.09222	2.7
226.10023	3.8
227.10645	1.2
233.11894	2.7
237.06958	1.3
237.09232	15.3
238.09869	5.3
239.10732	3.9
241.12309	6.9
252.07924	3.5
253.12347	7.2
258.99451	0.7
263.14139	0.8
277.12369	1.1
278.13034	2.4
279.13943	1.5
280.10690	0.7
293.15524	18.6
294.15842	1.4
295.13455	1.6
309.14963	9.1
310.15372	1.2
311.16544	39.0
312.16901	4.5
325.14468	3.9
355.15521	100.0
356.15881	13.1
386.44324	0.7
456.34875	0.8
546.53253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.4
66.85152	0.3
71.01389	1.0
75.00854	0.5
78.47466	0.4
79.27045	0.3
81.03463	0.8
85.02941	0.9
89.02467	1.2
93.03463	1.3
93.84489	0.3
96.96014	2.2
98.19893	1.1
101.02437	0.9
103.48361	0.4
106.04230	2.9
107.05035	1.1
108.02169	0.8
113.02452	0.7
116.52018	0.3
119.05035	13.1
120.05404	0.9
123.04546	0.4
135.04543	0.9
137.06096	100.0
138.06438	4.2
147.04535	0.3
163.04025	8.1
164.04672	0.5
190.02763	0.5
193.05074	0.5
195.05122	0.9
205.05029	0.6
215.60066	0.4
223.06203	1.0
261.08923	0.4
262.82117	0.4
285.24652	0.4
307.13916	1.7
341.12338	1.4
359.10828	0.4
380.30249	0.4
489.16522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03460	0.8
59.01384	100.0
60.01722	1.1
64.67438	0.4
65.63211	0.4
71.01385	8.7
73.02951	2.7
75.00893	0.5
80.40945	0.3
81.10466	0.3
83.01415	1.2
85.02963	5.3
89.02467	0.7
95.01407	0.5
97.02967	0.4
98.19918	0.7
99.00911	1.1
101.02451	6.7
113.02455	3.3
113.03022	0.3
121.03037	0.5
129.02043	0.4
135.04553	0.4
136.78157	0.4
143.03503	0.5
149.02609	0.3
151.00432	1.2
159.03036	1.0
161.04582	4.3
168.96681	0.4
195.05190	0.6
235.96474	0.4
245.09451	1.0
255.03011	0.5
269.10309	10.5
269.13046	0.6
270.10715	0.5
271.02512	1.2
300.02737	2.1
301.03516	2.8
311.11368	4.2
463.09116	1.4
505.10352	1.2
537.00964	0.4
586.04041	0.4
683.30103	0.4
711.26117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1422
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
50.35470	0.5
57.01357	0.5
58.67684	0.6
59.01383	2.2
63.02425	0.5
65.00350	0.8
71.01378	0.7
71.20636	0.7
71.20957	0.7
83.01414	0.7
89.02447	0.7
90.84204	0.6
96.96036	1.2
101.02474	0.6
107.01424	1.8
109.02948	1.2
114.28928	0.5
121.02934	1.0
125.02502	0.8
133.02977	0.7
149.04556	0.6
151.00371	6.5
163.00308	0.8
163.03944	0.6
175.00357	0.8
175.04100	0.7
178.99829	1.3
195.05002	0.9
199.04001	2.9
215.03505	1.2
225.55437	0.5
226.02747	1.2
227.03493	3.0
243.03117	3.1
255.02954	2.1
267.00555	0.5
271.02502	54.4
272.02853	4.8
299.01987	100.0
300.02542	18.0
301.03549	33.1
302.03946	2.5
337.06689	0.7
343.04486	1.0
462.08072	19.2
462.17899	0.7
463.08813	13.5
464.09052	1.3
505.09811	13.2
506.10498	1.1
527.20386	0.6
547.10907	0.9
625.14197	1.3
667.15210	79.9
668.15570	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	711.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
59.01391	5.1
71.01384	1.8
71.54677	0.9
75.00870	1.5
75.03294	0.5
78.30268	0.6
85.02947	0.8
89.02445	1.6
93.03476	3.0
96.96025	0.9
97.61063	0.5
98.81957	0.5
101.02442	1.7
109.02977	0.6
113.02486	1.0
122.06138	0.7
133.02988	1.8
134.03709	0.6
137.02477	5.4
147.00963	0.5
151.03978	0.8
152.07230	1.3
161.02429	4.3
167.04982	0.7
171.04578	1.2
175.03995	0.6
176.01166	0.6
176.04807	2.3
179.03537	5.4
182.03683	0.7
183.04515	3.2
188.87032	0.5
190.90112	0.6
191.07130	1.3
194.05864	5.5
194.07506	0.7
195.02759	0.6
195.04552	0.8
198.03198	2.7
199.04065	3.0
209.08202	13.2
210.03249	0.9
210.08470	0.6
211.04037	7.4
212.04726	2.4
213.02118	0.6
224.04788	1.6
225.05603	0.8
226.02762	6.0
227.03477	11.1
228.04095	1.8
239.03491	3.7
240.04288	7.0
253.01529	0.8
254.02199	7.9
255.03008	24.4
256.03506	2.5
256.29053	0.7
267.03036	5.8
268.03775	24.9
269.04163	2.7
282.01758	12.1
283.02484	45.9
284.03180	12.6
285.03751	1.2
295.02469	1.9
296.00360	0.4
296.03268	25.8
297.04059	66.9
298.04828	100.0
299.05502	28.0
300.06119	1.5
317.11481	1.4
319.12921	1.6
409.13104	0.8
489.11588	0.9
507.13147	3.8
508.13358	1.1
535.30804	0.6
555.13617	0.7
579.29742	0.7
599.24915	1.9
643.24011	2.4
667.38684	1.3
675.26941	1.8
679.21185	0.8
711.19598	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55060	1.2
57.03450	2.1
57.23511	1.2
58.57154	1.3
59.01390	9.2
61.98838	45.5
67.97787	1.2
69.26926	12.0
71.01382	4.0
78.95923	2.0
83.66404	1.3
85.02952	2.2
85.88979	1.4
89.02487	1.3
93.26330	1.4
95.01418	1.6
96.52972	1.3
96.96037	1.5
97.06607	6.3
101.02444	4.2
113.02485	2.7
151.11308	18.6
152.99586	1.4
169.12352	48.3
170.12683	2.8
195.10202	5.0
209.11673	1.9
213.11287	5.6
235.08134	1.5
253.09206	2.7
277.21738	59.6
278.22083	4.5
279.23245	5.1
400.73044	1.3
410.21072	1.5
431.19299	2.8
449.20074	4.0
580.34149	1.6
605.51434	1.5
676.03851	1.5
709.41718	100.0
710.42139	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	711.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34912	0.9
57.03448	1.1
58.09173	0.9
59.01155	0.9
59.01386	10.3
60.17499	1.0
61.99871	1.0
62.84695	1.1
63.02396	1.8
65.00333	3.3
65.40590	0.8
66.98692	0.9
67.86198	1.0
70.01186	0.9
71.01065	1.1
71.01394	12.4
71.04980	0.9
71.54816	1.0
83.01417	2.5
85.02963	2.5
87.00893	2.3
89.02456	5.7
95.01375	1.5
96.96008	3.9
101.02432	3.2
107.01393	7.2
108.02195	5.2
109.02991	2.6
113.02441	3.6
115.00376	3.5
116.92933	1.4
119.03488	1.4
119.05016	1.9
121.02967	39.7
122.03289	1.6
125.02422	3.1
133.02965	2.9
133.90353	0.9
134.03738	2.3
135.04514	2.1
136.01649	2.7
137.02408	1.6
148.01756	0.9
149.02458	1.5
151.00391	29.8
151.04044	4.8
152.01213	7.2
152.84064	0.9
159.04306	1.1
161.02489	1.8
163.00375	2.3
163.04042	1.4
164.01093	1.0
165.02040	1.0
166.02705	3.8
169.01485	1.3
175.04068	0.9
177.02026	1.9
178.99849	14.3
179.03476	2.2
179.05545	0.9
181.05078	6.7
185.06105	1.0
193.05070	1.6
195.05000	2.3
195.06714	1.2
225.11223	1.4
226.69128	1.1
227.03528	3.4
237.04010	3.9
243.02922	7.8
254.02142	2.0
255.03021	19.0
256.03506	1.6
271.02505	41.1
272.02933	3.8
273.04059	1.3
283.02573	2.4
284.03195	1.3
285.03665	1.4
299.02032	2.3
300.02777	85.6
301.03531	94.4
302.03894	7.1
387.14566	9.2
408.21976	1.0
425.53903	1.0
429.10367	1.3
463.08887	22.8
464.08853	2.1
505.09891	100.0
506.10309	13.2
531.20227	1.4
565.14423	1.2
567.26373	1.4
667.15228	2.8
711.25433	8.4
712.26154	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	709.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.8
56.33183	0.3
57.03457	4.3
58.00601	3.2
58.91998	0.3
58.97662	0.4
59.01385	100.0
60.01701	1.1
61.98846	0.7
68.99800	0.4
69.03459	1.6
69.52324	0.3
69.52705	0.3
71.01389	58.0
71.48211	0.4
72.01726	1.0
72.99314	4.3
73.02953	14.1
75.00880	1.3
75.10707	0.4
81.03461	1.5
83.01393	11.8
83.01894	0.6
83.05022	0.8
84.02196	0.9
85.02959	25.9
85.55255	0.5
86.00100	0.9
86.03308	0.6
87.00885	6.5
88.43412	0.4
89.02454	27.7
90.02780	0.7
93.03481	0.5
93.07121	1.5
95.01394	6.8
95.02005	0.5
96.96055	1.8
97.02974	2.8
99.00892	4.4
101.02452	40.3
102.02823	0.4
111.00905	4.0
111.08167	1.5
112.01687	1.1
113.02461	26.8
114.02799	0.9
115.04073	0.4
119.03515	9.7
121.03001	0.4
123.04546	0.5
123.08168	0.5
124.01687	1.0
125.02460	7.1
129.01967	1.5
131.03534	1.5
135.03032	0.5
135.08185	0.9
137.02383	0.6
139.04033	0.6
141.01978	0.8
143.03532	4.1
143.04567	0.6
149.04602	0.9
159.03027	2.4
161.04564	6.6
161.09605	0.4
179.05623	3.1
207.06642	0.4
209.06070	0.6
211.17059	0.7
213.18590	3.5
223.06204	0.5
343.28531	2.1
357.22766	1.4
375.23849	2.0
376.24060	0.6
393.23798	0.4
393.65924	0.4
413.96704	0.4
445.30984	0.5
469.31760	1.1
487.32822	10.1
488.32980	1.4
505.33817	12.6
506.34195	2.0
529.34113	1.3
530.34796	0.5
553.34357	0.4
601.36047	0.8
605.34821	0.5
613.36035	0.5
619.35876	0.6
649.38062	92.9
650.38409	18.9
667.39148	73.5
668.39508	14.7
709.40393	14.9
710.40686	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	709.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.2
60.85570	1.2
61.98549	1.5
61.98837	24.9
64.37046	1.3
65.62710	1.3
70.55521	2.8
70.55888	2.3
71.01375	5.1
72.72807	1.1
76.98707	1.1
80.40070	1.1
80.96547	1.2
83.68076	1.1
85.02940	2.2
89.02443	4.2
97.06617	2.8
101.02446	5.4
113.02440	2.4
151.11301	14.3
152.99556	1.5
169.12355	100.0
170.12659	7.0
176.74432	1.2
195.10291	2.8
197.37000	1.3
199.06641	1.2
201.11398	1.4
213.11342	13.5
224.51285	1.2
235.08235	2.3
253.09230	3.4
257.08124	2.6
277.21747	33.5
278.21973	1.8
279.23215	3.3
431.19183	2.4
449.20404	12.8
709.41748	98.2
710.41980	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.8
58.00585	4.0
59.01384	68.6
69.21951	13.3
71.01387	40.3
71.01782	2.1
72.99302	4.2
73.02942	6.0
75.00878	1.6
79.05518	1.8
81.03481	1.7
83.01388	3.7
85.02942	10.8
87.00885	4.9
89.02452	42.8
91.60139	1.3
95.01385	4.0
96.96030	4.7
99.00888	2.9
99.04518	3.6
101.02449	22.4
109.02988	1.9
111.00945	1.3
111.04546	1.6
113.02464	15.7
115.03986	1.3
119.03522	17.0
119.86329	1.3
120.05856	1.4
122.06100	1.4
125.02335	1.3
131.03481	2.6
133.05115	1.6
134.03772	2.5
135.06645	7.7
143.03539	2.7
152.01181	3.6
152.07259	1.4
161.02412	1.5
161.04614	4.6
161.09767	1.5
161.13365	12.2
163.03923	2.0
164.07115	1.9
179.05659	4.8
185.13332	1.7
187.11284	24.4
188.11659	3.5
193.04935	1.4
199.39671	1.3
205.12347	17.1
206.12645	1.9
209.16333	1.4
229.12387	3.6
231.10049	1.7
247.13469	2.9
249.11369	5.5
251.10408	1.6
264.13168	1.4
267.07230	3.9
271.02701	2.4
279.10739	1.5
283.06284	1.8
284.03265	1.8
297.11990	22.3
300.02695	2.1
485.23935	3.1
529.22925	100.0
530.23267	11.6
558.55219	1.4
665.31500	1.6
709.29303	84.0
710.29517	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	709.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61093	1.3
55.01881	2.2
57.03446	2.2
58.00574	2.0
59.01383	83.6
71.01387	45.9
71.54942	2.0
72.99309	3.9
73.02944	3.6
75.00871	2.0
81.03453	2.8
83.01392	4.4
85.02954	12.7
87.00882	4.3
89.02454	47.3
95.01393	5.1
96.95988	2.6
99.00928	1.9
99.04525	4.2
101.02455	22.9
105.58987	1.7
107.05054	1.9
108.02180	1.8
109.02982	1.5
109.61772	1.6
111.00865	2.1
111.04475	1.9
113.02461	17.2
119.03508	16.2
122.06110	2.0
123.08179	1.5
131.03555	1.8
134.03741	2.3
134.06139	2.0
135.04555	2.7
135.06673	8.7
136.07664	2.6
137.02420	1.7
137.85634	1.3
143.03548	2.5
149.06120	1.6
152.01196	3.6
152.07198	2.4
161.04581	5.6
161.13370	15.0
162.13737	1.7
164.07239	3.5
169.10269	2.0
175.03995	2.4
179.05634	6.5
185.13191	2.0
187.11296	24.9
193.05153	3.1
196.06134	1.5
205.12370	18.2
206.08176	1.5
228.05821	1.5
229.12297	3.1
231.10274	2.9
233.09402	1.8
233.65384	1.8
240.82321	1.7
247.13458	3.3
249.11311	7.5
251.10472	3.1
255.03073	2.3
267.07309	3.7
271.02457	4.4
284.03247	2.3
285.04074	2.1
292.38919	1.8
295.10837	1.8
297.11923	22.5
300.02728	3.4
353.10214	1.6
411.17169	1.4
425.13333	2.0
485.24335	3.7
529.22925	100.0
530.23230	14.8
531.14923	3.2
567.70172	1.7
665.17377	2.0
691.27081	3.4
709.29254	90.4
710.29761	17.0
737.01923	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	709.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03448	1.8
57.03455	3.8
58.00585	3.1
59.01386	55.9
65.00343	2.6
68.99844	1.9
69.47415	11.9
71.01389	36.7
72.99323	3.3
73.02950	5.3
73.75769	1.5
75.00870	5.6
83.01392	4.9
85.02948	14.4
87.00884	4.4
89.02452	27.9
94.03024	2.7
95.01396	3.6
96.96024	4.9
98.20621	3.2
99.00897	4.5
99.04534	2.4
101.02445	16.6
107.01410	2.9
108.02172	2.7
108.04554	2.0
109.02939	2.1
113.02460	20.8
115.66645	1.5
117.05521	1.5
119.03500	11.6
119.05019	3.4
121.02986	2.0
122.06139	12.1
129.01961	2.0
132.04562	2.7
134.06168	3.0
135.06673	7.5
140.07207	3.0
145.02882	1.5
148.01682	2.7
151.00392	11.5
152.01157	1.9
152.07181	19.6
159.08279	1.7
160.01767	1.5
161.04639	3.8
161.09711	2.5
161.13353	7.7
162.05571	3.4
163.04062	3.0
164.07216	1.9
166.05128	2.9
168.47781	1.5
175.41196	1.5
178.99850	3.2
179.05551	3.8
184.06163	2.5
187.11327	13.5
190.05093	3.0
193.03394	1.8
196.06128	2.4
205.05153	2.7
205.12363	9.0
223.06100	2.3
227.03519	3.5
227.08278	2.4
229.09856	2.0
229.13553	1.9
231.77635	1.5
239.11984	3.6
240.10144	2.5
243.03001	11.8
243.11400	2.2
245.04652	2.0
249.11354	5.0
251.08156	1.7
253.09840	2.2
255.03008	32.8
255.11537	2.0
257.09225	4.6
267.07196	22.5
267.11459	3.0
268.12213	1.8
271.02509	66.2
271.10870	2.0
272.02893	5.2
273.12302	1.9
279.07840	2.0
283.10849	15.3
285.04044	2.8
293.09375	5.2
295.10944	4.8
297.11899	14.8
299.01981	3.3
300.02765	100.0
301.03442	36.3
303.13568	2.3
311.10455	3.6
335.06238	4.2
343.04614	1.8
349.14087	5.0
387.11923	7.0
389.13098	2.0
448.18811	6.7
463.08035	2.2
485.23721	6.2
492.17868	24.5
493.18146	2.9
524.20404	21.9
525.20752	3.1
527.18524	2.6
529.22955	57.0
530.23541	8.3
530.31653	1.5
591.12958	2.7
609.14514	22.2
610.14850	3.7
649.24951	6.9
651.15607	33.9
652.16138	6.3
665.17371	4.3
665.29614	2.2
691.28040	14.2
692.27057	2.3
709.19556	29.4
709.29279	45.9
710.20239	5.8
710.31250	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	709.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.3
58.00608	1.6
59.01385	70.5
69.50572	1.6
69.51235	10.7
69.92386	2.0
71.01014	2.4
71.01388	40.8
72.99291	6.1
73.02950	6.5
75.00852	7.1
79.05482	1.9
80.41847	1.6
83.01357	3.6
85.02955	19.6
87.00880	5.2
89.02452	31.3
93.03455	2.1
94.02959	2.1
95.04997	2.7
96.96008	6.2
99.00886	4.7
99.04518	3.0
101.02461	21.3
106.06622	2.1
107.01409	2.7
107.03763	3.3
108.02158	3.3
109.02962	2.6
113.02453	24.4
114.99500	1.8
115.00378	2.2
118.14460	1.9
119.03499	11.7
119.05022	4.5
121.02944	1.9
122.06131	16.8
132.04575	2.1
134.06114	4.3
135.06650	11.5
138.05586	1.7
140.07159	3.0
145.02948	2.7
149.04626	2.1
150.05597	2.0
151.00369	10.0
152.07172	29.3
161.04628	5.2
161.13373	10.1
162.05666	2.4
163.00404	2.0
163.03998	2.2
164.07109	3.0
165.04114	1.7
166.05058	4.2
178.99855	6.0
179.05559	5.7
187.11295	19.9
190.05066	6.8
196.06082	7.1
199.03952	1.9
205.12383	12.4
211.04004	2.2
223.08774	2.6
227.03529	3.6
227.08217	3.4
227.11913	3.3
239.11899	6.1
241.09766	3.8
243.03044	12.7
243.11382	3.1
249.06042	3.3
249.11357	2.8
253.09879	3.5
254.02039	4.9
255.02983	33.5
255.11368	2.4
256.03339	5.0
257.09296	2.9
265.09555	2.1
267.07239	34.8
267.11511	2.6
268.11954	2.3
269.12933	2.0
271.02487	61.8
272.02896	7.3
279.07657	3.9
283.02393	3.7
283.10870	18.6
284.11215	1.9
285.04147	3.8
285.12415	2.6
291.07101	3.6
291.12482	2.0
293.09308	5.4
294.10007	3.5
295.10745	7.3
297.08957	3.9
297.11954	21.0
299.01984	2.6
300.02762	100.0
301.03482	28.9
302.03986	2.9
302.13248	1.9
303.13544	8.0
311.10345	4.8
315.05124	7.9
323.10608	1.9
333.20624	2.0
335.06247	8.4
343.13043	2.2
349.13907	4.3
351.37674	1.7
354.07169	1.8
387.11798	9.7
389.13544	6.5
411.85815	1.8
420.19070	2.6
447.09161	4.3
448.18961	8.3
449.19000	1.8
462.50620	2.0
485.24033	7.1
492.17813	34.0
493.18076	5.6
505.53986	2.1
524.20471	28.3
525.20490	6.6
527.18805	3.4
529.22931	74.0
530.23572	12.9
539.86884	2.0
552.19623	2.4
609.14728	21.0
610.14655	4.2
649.24713	9.1
650.25519	2.9
651.15674	31.3
652.16071	6.4
665.17383	5.0
665.29999	6.5
691.27313	24.8
692.26575	4.1
694.99524	2.0
709.19458	25.8
709.29102	61.1
710.19653	5.0
710.30524	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	709.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.6
57.03449	1.8
58.00600	3.0
59.01382	70.4
69.34294	9.8
71.01388	44.5
72.99315	4.2
73.02959	4.8
75.00909	2.0
81.03455	1.4
83.01391	3.0
83.04990	1.7
85.02960	12.3
87.00897	3.2
89.02451	43.8
95.01415	4.3
95.05030	1.4
96.96033	1.7
97.02956	1.7
99.00893	2.3
99.04545	4.2
101.02451	22.3
102.02759	1.7
107.05024	1.4
108.02193	18.1
109.02982	4.2
113.02453	18.6
119.03497	13.5
122.03726	1.9
123.04487	1.4
126.67380	1.3
131.03532	1.9
135.06668	9.3
139.07663	1.6
140.00417	1.3
143.03549	1.9
149.04539	1.6
152.01164	32.3
152.07210	1.4
161.04546	5.0
161.09726	2.6
161.13377	18.8
163.04065	2.0
165.05728	1.5
179.05620	7.3
185.13335	1.4
187.11295	31.8
194.16707	1.5
205.12350	22.1
229.12329	4.0
231.10355	2.3
247.13292	1.7
249.11356	6.0
277.92050	1.3
279.10748	2.6
291.12350	1.4
297.11932	29.3
298.12262	2.9
315.06802	1.5
411.16440	2.1
429.10489	4.9
447.11105	4.5
464.18341	1.9
485.24002	4.7
490.19797	1.6
529.22961	100.0
530.23334	16.0
531.14301	1.8
709.30658	62.9
710.30768	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	709.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01387	14.5
62.63876	0.8
69.03460	1.4
69.36246	7.1
71.01389	28.2
72.91293	0.9
72.99294	1.2
73.02946	3.4
73.49155	0.8
75.00877	4.1
81.03498	1.3
83.01409	2.2
85.02948	6.0
87.00887	1.7
89.02458	3.9
93.03480	1.9
95.01387	2.4
96.96021	18.9
97.06615	1.4
99.00905	1.1
101.02461	5.8
107.01413	4.3
108.02185	71.4
109.02982	29.5
110.03284	1.0
113.02456	4.8
115.00375	6.9
119.03522	1.3
121.02991	3.2
123.00919	1.0
123.04529	2.4
125.02409	0.9
133.02966	10.8
134.03757	36.2
135.00919	4.6
135.04478	3.2
137.02458	1.2
145.81158	1.0
148.05305	3.3
149.02412	1.5
151.00394	4.1
151.04056	1.6
152.01166	76.3
153.01964	32.5
154.02197	1.4
158.79457	0.8
163.04024	2.1
165.01907	2.2
165.81456	0.9
166.02475	0.8
175.04036	2.9
177.01953	35.9
178.02711	11.8
179.03323	1.2
187.62740	0.9
193.05107	1.5
195.02939	0.8
199.04036	1.9
216.67928	0.9
217.05019	1.5
231.10405	1.3
275.09317	11.1
276.09290	0.9
285.04071	73.6
286.04422	6.0
298.32495	0.8
307.11899	35.5
308.12302	2.7
315.07242	100.0
316.07535	7.1
339.07220	55.1
340.07562	4.6
383.06229	43.3
384.06589	3.9
401.07220	6.7
423.13135	2.1
487.32358	1.2
491.28909	1.2
533.29468	3.6
567.81531	0.9
578.78473	1.0
605.52032	0.9
649.37585	5.4
650.38104	1.3
665.36426	3.0
667.39020	5.1
709.18713	4.2
710.19873	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	709.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03884	0.5
59.01081	0.7
59.01385	13.6
67.42956	0.4
67.45975	0.5
71.01392	6.3
72.99271	0.6
73.02946	2.1
75.00868	1.4
83.01396	1.3
85.02956	1.6
87.00879	0.7
89.02469	2.9
89.02950	0.5
92.15424	0.5
95.01403	0.6
96.96011	1.7
98.20609	1.0
99.46758	0.5
101.02448	4.1
110.51173	0.5
113.02480	3.1
118.98075	0.6
119.03516	0.9
135.03011	2.5
136.94861	0.5
143.91064	0.5
146.03757	10.7
147.04178	0.8
155.05016	0.7
161.04640	1.2
161.06075	3.5
163.03929	0.6
164.04793	6.3
173.03526	0.5
179.07152	20.1
180.07425	0.6
183.04526	1.8
194.91858	0.4
195.04573	2.3
209.11882	1.0
211.03995	5.1
212.04503	0.5
223.03946	2.8
224.04657	0.9
227.12892	0.5
239.03506	19.1
240.03841	1.4
267.03000	26.5
268.03448	3.3
282.05353	100.0
283.05865	12.8
309.20697	0.9
310.21188	1.0
328.83975	0.5
431.11218	0.9
443.11130	2.3
461.12427	8.8
462.12689	1.2
487.32532	0.6
527.23535	0.5
607.37006	0.7
649.38147	3.9
666.37567	0.6
667.38934	2.9
709.39301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30598	0.3
59.01386	100.0
60.01717	1.2
61.98835	4.7
63.87445	0.3
66.49635	0.3
70.58503	0.5
70.58878	0.6
71.01406	0.8
73.02941	0.3
85.02958	0.3
89.00802	0.3
89.02460	0.3
93.27908	0.3
96.96030	0.5
101.02474	0.3
113.02493	0.4
121.66779	0.3
185.19910	0.3
189.12831	0.3
209.11859	1.1
210.12198	0.5
211.13489	1.3
255.63608	0.3
270.17786	0.3
277.21744	20.4
278.22079	2.6
279.23218	0.9
291.23514	1.2
363.98438	0.4
492.81961	0.3
707.31097	0.4
707.44897	0.5
735.29376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.0
61.98537	0.7
61.98836	10.1
63.02406	1.5
65.00351	1.2
70.02841	1.6
78.95939	0.4
83.01402	1.1
94.12018	0.4
96.96013	1.0
107.01397	2.3
109.02965	1.2
112.98583	0.5
113.19494	0.3
116.92875	1.4
120.91542	0.4
121.02975	0.9
132.02182	0.6
133.02956	5.1
134.03717	1.3
135.04530	0.5
148.01642	0.5
149.02452	1.1
151.00388	5.7
159.04504	0.4
171.04442	0.4
175.03996	2.1
183.04472	0.6
185.06044	0.5
187.03973	0.6
199.04013	2.5
200.04791	0.7
201.02020	0.5
201.63707	0.3
211.03986	1.2
212.04781	0.4
213.05638	0.4
214.92084	0.3
215.03452	0.6
216.04269	0.4
217.05080	1.4
227.03517	3.4
239.03470	0.7
240.04353	0.4
241.04906	0.5
243.02895	0.9
255.02956	3.0
256.03790	5.4
257.04373	0.8
267.03015	0.4
277.21689	0.8
279.23151	0.5
283.02411	1.3
284.03284	57.4
285.04044	100.0
286.04401	7.0
287.74301	0.4
297.04037	0.5
327.05121	1.0
339.15829	0.5
379.11301	0.5
707.30743	77.1
708.31067	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	707.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30729	0.9
57.03438	0.8
58.00616	0.8
59.01385	100.0
60.01704	1.6
69.03459	1.3
69.21716	8.9
69.95593	1.1
71.01389	33.4
72.99313	2.8
73.02953	17.7
75.00877	2.5
82.95422	3.0
83.01383	5.0
85.02959	10.9
87.00885	3.6
89.02451	18.8
92.83350	1.0
93.30319	0.9
95.01401	2.6
96.96019	6.3
97.02950	1.1
99.00895	1.9
99.04520	1.1
101.02453	19.8
113.02461	21.7
115.52137	0.9
119.03516	5.5
125.02470	2.5
125.50571	0.9
131.03485	2.6
136.58960	0.9
143.03499	2.9
149.04570	3.1
155.03491	1.4
159.78343	0.9
161.04536	8.2
163.04115	0.9
179.05612	3.8
187.11305	1.2
193.05128	1.1
245.09410	1.3
257.16241	0.9
267.07214	9.8
268.07874	1.3
281.29901	0.9
335.06079	3.3
335.12225	1.1
472.31052	1.2
483.22366	2.8
499.25659	7.6
500.25842	1.0
517.26532	18.8
518.26886	2.8
527.21643	1.2
535.27386	5.5
559.27618	9.0
560.28235	2.0
577.28619	8.1
578.28644	1.1
640.22559	1.0
663.28778	1.9
707.28540	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	707.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.4
68.00176	0.9
69.73344	2.9
69.73759	2.6
71.01380	2.3
80.05070	8.8
82.02978	1.3
83.01339	1.2
88.38125	1.2
90.92451	1.0
91.91394	1.0
94.02993	23.4
94.06623	3.5
96.96019	16.0
98.19991	2.0
101.02448	1.8
102.23224	0.8
104.05058	3.8
106.06642	3.1
107.03794	7.5
108.04556	3.0
113.02480	1.4
120.04553	1.5
120.08188	1.3
122.06138	32.8
123.06457	1.3
123.89619	1.1
124.04064	2.2
124.07645	1.1
132.04544	2.3
134.06119	9.6
136.04008	2.7
136.07709	1.5
137.04929	1.0
138.05626	7.8
139.02734	2.4
141.35248	1.0
146.06058	1.3
146.10915	1.0
147.05551	1.4
148.04037	3.2
148.07687	1.1
150.05598	8.6
151.52890	1.1
152.07190	69.0
153.07556	2.2
158.02470	1.3
160.04062	2.9
162.05640	1.5
174.05635	3.2
180.06662	2.2
188.07135	5.5
190.05083	2.8
201.10316	5.7
211.08812	1.8
213.10362	3.7
215.12010	1.1
225.10347	2.5
226.10977	1.6
226.17233	1.1
227.11931	3.7
229.09874	9.6
229.13434	2.6
230.10208	1.2
235.08755	1.6
237.10306	3.1
239.11980	7.0
241.09961	1.3
245.13014	11.8
247.10921	1.6
249.06618	1.2
249.10298	1.5
250.07504	3.5
251.08197	3.0
251.11981	1.8
252.09195	2.0
253.09781	3.7
255.11479	5.4
257.12924	3.6
259.10770	1.8
263.08249	2.9
264.08969	1.8
265.09814	7.3
266.10294	1.9
267.11429	5.0
271.14542	1.3
273.12372	3.3
277.09802	3.8
278.06940	3.3
278.10452	3.1
279.07678	5.5
279.11359	4.2
280.12277	1.2
281.12781	1.4
289.11957	2.7
293.09341	15.4
294.10004	4.3
295.10913	10.5
296.11368	1.8
297.12341	2.2
301.12027	12.9
302.12247	1.9
305.09225	1.1
306.10132	1.5
307.10721	3.1
309.12424	4.9
313.12018	4.1
316.92645	1.1
319.13013	40.1
320.13312	4.3
321.08829	1.2
323.10364	5.9
325.11893	1.4
326.12299	1.3
327.13492	3.3
330.12308	1.4
337.08328	7.7
339.09842	2.1
344.14011	1.3
348.16983	1.2
355.13028	3.0
356.14087	1.3
358.11731	1.1
359.12503	1.2
374.15045	8.9
386.15103	2.8
391.15488	2.1
392.15936	5.5
400.12555	1.4
416.16074	6.0
417.16861	2.3
431.18454	1.7
432.19418	1.7
434.17316	2.8
443.18552	1.0
458.17017	1.3
459.17935	4.1
460.18539	4.5
462.16782	1.7
463.17819	1.1
474.20047	2.9
476.17822	2.5
486.16733	2.8
492.21362	1.5
503.17569	1.8
504.17810	9.7
505.17896	2.9
518.19354	12.4
519.19623	2.8
531.27295	3.6
536.20905	1.1
539.15491	1.3
539.22723	6.3
550.21912	16.8
551.22369	3.5
557.23804	7.5
558.24475	2.3
571.25885	1.5
581.24182	8.7
582.24347	2.2
583.22290	4.7
599.25189	41.4
600.25580	8.2
603.24628	1.8
615.24847	8.6
616.25134	2.0
625.22797	3.6
631.27850	7.4
632.28662	1.4
643.24139	41.6
644.24457	11.1
647.26978	2.8
657.25763	9.5
658.25940	2.8
675.26727	100.0
676.15936	1.8
676.27106	26.7
689.28314	3.2
690.29175	1.2
707.29095	15.1
708.29950	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	707.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30729	0.9
57.03438	0.8
58.00616	0.8
59.01385	100.0
60.01704	1.6
69.03459	1.3
69.21716	8.9
69.95593	1.1
71.01389	33.4
72.99313	2.8
73.02953	17.7
75.00877	2.5
82.95422	3.0
83.01383	5.0
85.02959	10.9
87.00885	3.6
89.02451	18.8
92.83350	1.0
93.30319	0.9
95.01401	2.6
96.96019	6.3
97.02950	1.1
99.00895	1.9
99.04520	1.1
101.02453	19.8
113.02461	21.7
115.52137	0.9
119.03516	5.5
125.02470	2.5
125.50571	0.9
131.03485	2.6
136.58960	0.9
143.03499	2.9
149.04570	3.1
155.03491	1.4
159.78343	0.9
161.04536	8.2
163.04115	0.9
179.05612	3.8
187.11305	1.2
193.05128	1.1
245.09410	1.3
257.16241	0.9
267.07214	9.8
268.07874	1.3
281.29901	0.9
335.06079	3.3
335.12225	1.1
472.31052	1.2
483.22366	2.8
499.25659	7.6
500.25842	1.0
517.26532	18.8
518.26886	2.8
527.21643	1.2
535.27386	5.5
559.27618	9.0
560.28235	2.0
577.28619	8.1
578.28644	1.1
640.22559	1.0
663.28778	1.9
707.28540	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	707.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97864	0.9
58.00592	1.5
59.01384	38.7
64.84433	0.8
71.01015	1.4
71.01388	23.5
72.99293	1.7
73.02940	2.0
75.00887	1.0
81.65756	0.8
83.01391	2.9
85.02966	6.7
87.00869	1.4
89.02459	20.2
89.03008	1.3
95.01393	1.6
96.96014	3.8
99.04533	3.8
101.02464	10.9
107.05016	0.9
108.31841	0.8
111.00879	1.2
111.04554	1.1
113.02459	8.4
115.04007	1.0
119.03540	6.7
119.04988	0.8
125.02420	1.4
129.47363	0.9
131.03535	1.4
133.05061	1.9
134.84201	0.9
143.03448	0.9
149.55069	0.7
159.04562	0.9
161.04636	1.5
161.13387	7.5
179.05713	1.0
179.10783	1.1
185.09695	0.9
185.13344	4.5
187.11304	15.3
188.11601	1.6
199.49542	0.9
201.12860	1.3
203.14395	2.7
205.12317	9.6
209.06177	0.9
215.33342	0.8
219.13893	2.0
229.12343	8.3
247.13329	3.3
249.11252	4.5
291.12320	2.5
295.10410	10.6
332.10889	0.9
429.17642	1.8
483.22296	6.6
527.21429	10.6
528.21863	2.4
620.21631	1.0
707.27716	100.0
708.28015	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	706.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26492	0.5
59.01390	2.6
69.24641	4.0
70.02974	0.9
71.01386	5.8
87.12164	0.5
88.04047	74.8
89.04363	0.9
89.76847	0.5
96.96011	2.6
96.99305	1.2
107.01427	0.5
113.17005	0.5
114.01986	6.3
114.99584	0.8
115.00379	11.8
126.09283	1.4
127.07665	7.2
129.66505	0.6
132.03035	53.5
133.03346	1.3
135.00826	0.6
146.21727	0.5
148.01707	0.6
151.00337	3.1
163.00427	0.8
178.99858	2.0
198.11392	1.9
222.99974	0.5
224.09258	1.0
227.03448	0.6
242.10353	100.0
243.02930	2.3
243.10709	5.3
255.03012	8.0
271.02469	15.0
272.02966	1.2
300.02771	32.1
301.03485	14.1
302.03992	0.8
335.12555	1.5
363.90839	0.5
385.53055	0.6
463.08835	45.9
464.09195	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	707.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.1
58.02968	0.2
59.01382	0.5
69.23860	0.2
69.24280	0.4
70.02988	0.1
71.01367	0.3
72.00911	0.1
73.02954	0.1
74.02484	0.8
79.95747	3.4
83.01385	0.1
85.02958	0.2
87.00893	0.1
89.02447	0.2
91.07473	0.1
96.96020	100.0
97.95973	0.3
98.02483	0.2
99.00932	0.1
101.02449	0.2
113.02470	0.2
116.03533	0.2
116.05040	0.3
142.06653	0.1
161.04623	0.1
174.87572	0.1
179.05635	0.1
179.07181	0.1
186.05568	0.1
201.10315	0.1
203.08267	0.7
204.08571	0.1
211.07643	0.6
245.09340	1.9
246.09702	0.3
247.09868	0.1
259.03592	0.1
271.02542	0.1
300.02725	0.3
301.03571	0.1
335.12616	0.1
373.14209	0.1
417.11899	0.6
433.12830	0.1
609.14526	0.6
610.14813	0.1
707.25940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3869
Annotation	Hyalodendroside A
Peak:m/z	Relative Intensity
55.01876	1.1
58.00593	0.6
59.01387	18.8
60.01708	0.5
61.98836	1.5
69.24617	4.3
71.01389	11.4
71.05036	0.4
72.99303	0.7
73.02962	6.6
75.00885	1.7
79.95761	2.9
83.01392	2.7
83.05050	0.6
83.76442	0.4
85.02957	4.9
87.00887	1.2
89.02460	3.8
95.01431	0.8
96.96023	100.0
97.95918	0.4
98.19880	0.9
98.95623	0.9
99.00894	1.9
101.02460	8.6
113.02458	4.3
116.92850	1.0
119.03547	1.2
124.01662	2.1
128.90082	0.5
129.01955	0.5
145.02979	0.5
147.03067	0.8
149.04597	0.6
151.03995	0.5
161.04539	1.0
165.05638	0.5
195.28862	0.4
201.11354	0.8
209.11983	1.0
214.09576	0.6
237.20847	0.5
268.80530	0.4
273.18829	0.4
283.14154	0.5
291.19595	2.1
297.03915	0.5
309.20535	0.6
353.84958	0.5
360.66089	0.5
417.14066	0.5
457.33374	1.3
464.64767	0.5
471.26053	0.8
501.32358	4.3
502.32831	1.2
513.27026	11.1
514.27649	1.7
601.37628	1.6
645.36493	19.2
646.37134	3.8
661.30139	5.4
661.39825	1.5
662.31720	1.6
663.37524	8.5
664.38055	2.2
667.39557	1.6
669.40222	2.8
673.24689	0.5
705.38824	40.6
706.39081	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	705.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10032	0.7
54.46918	0.7
54.47206	0.9
59.01380	12.0
61.98817	2.4
69.03502	0.7
71.01384	6.3
71.55080	1.0
73.02969	2.1
75.00890	2.0
79.95763	1.4
80.02670	1.1
81.03457	1.4
83.01393	0.9
83.05029	5.3
85.02963	3.1
87.00883	2.1
89.02432	4.6
95.05041	0.9
96.96020	33.0
97.02903	1.0
101.02451	3.6
104.24435	0.8
108.78192	0.8
113.02444	3.0
119.03494	1.0
125.02496	1.1
134.03717	0.9
149.02426	0.9
161.04581	1.6
163.11359	4.1
165.12833	1.5
169.12436	1.1
171.10312	1.7
181.12398	1.1
209.11844	100.0
210.12225	6.5
227.12895	16.4
253.09297	4.9
267.07068	1.3
289.18134	1.3
307.19101	2.0
445.20895	1.7
670.42865	2.6
705.33472	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42668	0.3
55.01859	0.3
57.19949	0.3
59.01122	0.3
59.01389	3.7
65.06265	0.3
65.26062	0.3
71.01387	1.1
73.02948	0.8
79.95762	0.5
83.01393	0.4
85.02950	0.3
89.02457	0.8
96.96021	20.1
98.19921	0.6
101.02451	0.7
102.22326	0.3
108.04530	0.3
113.02439	0.6
117.86198	0.4
119.21373	0.3
122.02479	0.3
122.06158	1.8
136.04041	0.4
136.07686	0.5
137.64604	0.3
148.04085	0.3
151.47638	0.3
152.07176	1.4
158.02432	0.4
164.39151	0.3
169.03288	0.3
186.09181	0.3
190.05098	0.7
198.98592	0.3
200.10805	0.5
201.06659	0.3
213.06694	1.5
213.10298	0.5
214.07254	2.8
215.08241	1.5
216.08958	0.6
227.08383	0.6
227.11909	2.3
228.08957	0.9
229.09785	6.3
230.10303	0.7
231.07692	0.6
231.11337	0.9
239.08391	0.4
243.11383	12.0
244.08606	2.1
244.12134	6.3
245.09309	3.4
245.12027	0.5
255.11400	4.5
256.11792	0.6
257.09320	28.5
258.09711	1.9
259.10883	11.6
260.11603	3.4
261.11978	0.4
271.10797	0.7
272.11679	16.2
273.12265	3.3
275.10400	14.6
275.12778	0.3
276.10669	0.9
290.12738	10.3
291.13022	0.9
293.12408	0.4
298.04993	0.3
303.09775	1.2
316.10651	3.7
317.11346	0.5
331.13040	3.4
334.11740	7.2
349.14047	100.0
350.14377	9.9
355.12933	1.6
364.16708	0.6
376.63376	0.3
418.91422	0.3
504.68253	0.3
529.26434	1.1
555.22278	0.5
597.23566	1.0
606.94873	0.4
629.26300	3.8
630.25946	0.8
673.22998	0.3
705.28711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95229	1.8
55.01868	2.1
57.03450	2.0
59.01386	46.8
61.98819	2.3
66.95995	1.4
69.78635	5.4
71.01009	2.1
71.01386	24.8
72.99311	3.1
73.02954	11.5
75.00871	3.6
79.95727	2.6
83.01408	4.1
85.02959	9.6
87.00886	4.4
89.02465	11.7
89.02921	2.0
94.03006	13.8
94.06623	4.6
96.96020	94.8
98.19907	3.0
99.00879	4.3
101.02457	15.2
101.87351	1.6
106.06635	1.8
107.03763	15.1
113.02467	10.8
119.03526	3.5
122.06133	55.7
131.03499	4.2
134.03746	4.5
134.06120	9.4
135.04460	3.3
135.85895	1.9
138.05591	5.6
139.02760	6.1
145.03078	1.9
150.05608	2.7
151.00397	3.0
152.07182	81.5
152.69406	1.8
153.07542	2.5
161.02391	3.4
161.04523	2.4
193.05031	2.3
203.05598	1.8
225.10214	2.3
235.08800	2.1
237.10275	3.9
244.14586	1.8
249.06146	2.8
249.10379	2.1
250.07610	3.6
251.08206	3.2
262.07425	2.1
263.08170	5.7
264.08856	3.0
265.09827	13.5
266.10049	2.0
267.07129	3.6
267.11456	2.3
277.09766	6.8
278.06973	7.8
287.05591	2.0
291.07806	4.7
291.19604	3.0
293.09357	44.0
293.12527	3.3
294.09671	4.4
298.27267	1.6
305.09354	16.5
306.09860	3.5
337.08282	2.7
390.13739	1.6
428.16101	3.7
429.16824	2.3
430.17850	4.8
432.15643	10.0
443.11572	1.7
457.16492	3.2
458.17328	23.3
459.17471	3.6
464.17999	2.4
472.19116	3.9
484.15244	2.0
490.19775	3.7
502.16217	36.7
503.16678	5.7
504.21585	4.3
505.22089	2.6
513.27313	11.3
517.18524	9.0
518.18939	2.2
529.26392	3.6
534.18518	6.4
548.20471	4.9
549.21136	3.2
597.23584	35.2
598.23682	6.8
601.32159	2.7
629.26483	15.3
630.26416	3.7
641.22675	14.4
642.22400	3.0
645.47247	1.9
661.29852	8.8
662.29822	2.4
669.40759	8.1
673.25189	100.0
674.25500	25.1
705.24945	27.7
705.38086	4.5
706.26190	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95229	1.8
55.01868	2.1
57.03450	2.0
59.01386	46.8
61.98819	2.3
66.95995	1.4
69.78635	5.4
71.01009	2.1
71.01386	24.8
72.99311	3.1
73.02954	11.5
75.00871	3.6
79.95727	2.6
83.01408	4.1
85.02959	9.6
87.00886	4.4
89.02465	11.7
89.02921	2.0
94.03006	13.8
94.06623	4.6
96.96020	94.8
98.19907	3.0
99.00879	4.3
101.02457	15.2
101.87351	1.6
106.06635	1.8
107.03763	15.1
113.02467	10.8
119.03526	3.5
122.06133	55.7
131.03499	4.2
134.03746	4.5
134.06120	9.4
135.04460	3.3
135.85895	1.9
138.05591	5.6
139.02760	6.1
145.03078	1.9
150.05608	2.7
151.00397	3.0
152.07182	81.5
152.69406	1.8
153.07542	2.5
161.02391	3.4
161.04523	2.4
193.05031	2.3
203.05598	1.8
225.10214	2.3
235.08800	2.1
237.10275	3.9
244.14586	1.8
249.06146	2.8
249.10379	2.1
250.07610	3.6
251.08206	3.2
262.07425	2.1
263.08170	5.7
264.08856	3.0
265.09827	13.5
266.10049	2.0
267.07129	3.6
267.11456	2.3
277.09766	6.8
278.06973	7.8
287.05591	2.0
291.07806	4.7
291.19604	3.0
293.09357	44.0
293.12527	3.3
294.09671	4.4
298.27267	1.6
305.09354	16.5
306.09860	3.5
337.08282	2.7
390.13739	1.6
428.16101	3.7
429.16824	2.3
430.17850	4.8
432.15643	10.0
443.11572	1.7
457.16492	3.2
458.17328	23.3
459.17471	3.6
464.17999	2.4
472.19116	3.9
484.15244	2.0
490.19775	3.7
502.16217	36.7
503.16678	5.7
504.21585	4.3
505.22089	2.6
513.27313	11.3
517.18524	9.0
518.18939	2.2
529.26392	3.6
534.18518	6.4
548.20471	4.9
549.21136	3.2
597.23584	35.2
598.23682	6.8
601.32159	2.7
629.26483	15.3
630.26416	3.7
641.22675	14.4
642.22400	3.0
645.47247	1.9
661.29852	8.8
662.29822	2.4
669.40759	8.1
673.25189	100.0
674.25500	25.1
705.24945	27.7
705.38086	4.5
706.26190	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91783	0.5
58.02983	7.1
59.01377	3.9
64.61009	0.5
69.46943	4.3
70.02981	6.1
71.01380	1.3
72.00912	2.2
72.04554	1.3
73.02968	0.7
74.02482	37.5
87.00893	0.8
89.02459	0.7
89.60597	0.5
95.31372	0.5
96.96017	2.1
98.02490	8.3
116.03560	10.5
116.05071	12.8
130.06631	1.6
142.06670	3.7
149.06004	0.7
159.09332	2.8
186.05571	0.9
201.10387	3.1
201.12016	0.7
203.08286	39.3
204.08546	2.0
245.09326	100.0
246.09651	6.7
380.29291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.8
58.00597	2.7
59.01387	37.7
70.65285	1.0
70.65624	1.6
71.01389	32.7
71.05028	2.7
72.99329	1.3
73.02963	1.1
83.01389	2.2
85.02952	5.4
88.04054	2.7
89.02454	29.8
95.01382	2.3
96.96006	1.8
99.04536	0.9
101.02451	17.8
113.02455	10.4
116.07217	1.7
119.03511	12.8
128.07153	1.2
131.03468	1.0
143.03496	1.7
146.08241	36.1
147.08585	1.0
161.04536	1.2
170.89732	0.8
179.04074	0.8
179.05615	1.7
184.06213	1.0
218.10373	0.8
260.21490	0.8
308.13568	3.9
323.13486	83.0
324.13770	5.7
362.14655	1.0
380.15634	100.0
381.16031	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	705.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39967	0.2
59.01382	3.2
61.98834	0.4
65.00341	0.4
71.01394	2.1
71.54346	0.3
72.99311	0.5
73.02958	1.0
75.00896	0.2
75.02477	0.2
83.01402	0.4
85.02966	0.9
87.00875	0.3
88.98803	0.3
89.02460	0.6
91.01929	0.3
91.05556	0.4
93.03484	0.9
95.01448	0.2
96.96022	2.3
98.95615	0.2
99.00887	1.0
101.02469	1.1
106.06592	0.3
113.02450	1.7
116.92899	0.2
117.03474	0.5
119.01400	0.8
119.05051	0.6
121.02962	11.7
122.03283	0.4
123.00906	0.2
123.08187	0.4
125.02477	0.2
132.02174	1.2
135.04544	0.4
136.07724	0.3
140.80852	0.2
147.00925	0.7
147.04520	3.2
148.05322	11.5
149.02449	61.0
150.02795	2.1
150.62617	0.2
152.01106	0.4
161.04568	0.4
163.03989	0.9
163.07655	8.6
164.04803	47.6
165.01944	0.4
165.05110	2.3
175.00377	4.5
176.00790	0.3
179.07146	4.5
190.02728	9.0
191.03137	0.6
193.01440	0.6
205.05063	11.5
206.05495	0.5
208.03809	1.9
209.11859	0.7
223.06125	100.0
224.06467	5.1
227.12894	0.3
253.09880	0.2
439.16165	1.2
457.17282	0.5
499.18298	1.3
629.22467	0.8
663.22632	0.6
664.22931	0.2
705.23840	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	704.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.8
60.01722	0.7
61.01814	0.4
61.98835	100.0
85.25454	0.1
96.96053	0.3
134.89235	0.2
209.11835	0.2
214.27136	0.2
221.77838	0.2
230.33206	0.2
249.67213	0.2
440.12653	0.3
441.13773	0.2
454.15158	0.2
482.15021	0.6
483.15292	1.3
484.15561	2.3
485.16003	0.2
497.16891	0.6
498.16949	0.9
500.18423	0.6
542.16406	0.5
543.16742	0.8
556.18762	0.5
557.18994	2.2
558.19110	6.0
559.19739	0.4
574.15424	0.5
575.15820	1.1
588.16858	0.4
589.17664	0.4
630.21515	0.2
643.22784	0.6
644.22845	3.1
645.23120	0.3
703.24811	0.5
704.24829	7.6
705.24493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3643
Annotation	Hemsine C
Peak:m/z	Relative Intensity
59.01377	0.6
61.98830	2.6
71.55278	0.5
84.51530	0.5
93.03471	1.5
107.05042	2.4
108.02193	0.6
109.06545	0.4
121.02950	0.9
122.03735	0.5
133.49748	0.5
135.04497	2.4
145.02940	2.8
147.04565	0.6
148.94896	0.5
159.04541	2.3
161.06116	0.5
169.06586	4.0
171.08189	0.6
172.59795	0.5
173.05991	0.6
177.12852	1.1
182.07338	0.6
187.07619	0.6
209.05965	0.8
210.87682	0.5
211.07700	2.1
212.08435	4.5
213.09161	2.5
223.07657	3.5
225.09227	5.4
226.09894	2.0
227.10776	6.9
235.07695	2.2
236.08363	1.7
237.09192	2.0
249.09229	0.7
251.10803	3.0
263.10745	0.8
265.12219	0.7
267.06558	0.7
271.09769	1.0
277.12335	1.2
279.13898	3.6
289.12360	0.9
291.14087	1.0
291.42416	0.5
315.10623	0.5
317.11847	1.0
347.20212	4.7
348.20535	1.0
349.21729	9.4
350.22046	1.2
357.11566	0.7
358.11899	0.5
359.12866	0.5
373.14371	1.2
373.21844	4.5
374.22321	0.6
407.16568	0.7
408.17468	0.6
409.17758	1.0
413.24701	0.8
423.19553	1.4
449.18158	0.6
554.28064	0.6
569.30566	4.0
570.30835	0.8
601.33331	8.8
602.33716	1.5
641.36316	1.5
645.32239	7.1
646.32642	1.8
659.37732	3.5
660.38666	0.6
685.35376	0.7
703.36469	100.0
704.36865	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.384
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59362	15.8
59.01381	52.6
61.98846	85.8
99.69283	15.6
122.39902	15.5
131.85907	17.9
171.10287	30.5
223.07588	17.4
227.10773	19.1
245.72110	16.4
255.23195	31.3
260.83905	20.3
277.21750	51.5
359.35095	19.7
391.19104	17.7
407.19144	21.6
641.36292	24.0
685.34845	100.0
703.35254	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08059	37.6
61.98842	47.6
68.36126	33.5
70.03583	81.4
70.03978	65.0
107.12307	33.6
168.06480	38.4
237.09109	46.7
295.17059	42.7
345.18750	84.7
381.20544	49.1
564.84369	38.3
703.30511	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	703.309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16489	0.4
82.40408	0.5
92.30043	0.4
107.01548	0.4
109.16982	0.5
111.35846	0.4
119.60101	0.4
129.77820	0.4
161.02435	1.3
191.05008	0.6
205.03148	2.7
268.94070	0.5
275.10800	0.5
281.09982	1.0
296.08664	1.1
297.09418	0.6
305.11984	0.6
307.08017	0.6
309.09451	1.4
311.10956	1.7
327.08066	0.5
328.07736	2.5
365.15683	9.5
366.15787	0.7
527.18927	0.6
541.20551	5.4
542.21222	0.7
543.19208	0.5
549.17291	0.6
571.22162	0.5
573.16821	0.5
587.22906	1.0
597.23016	0.7
601.24011	1.1
603.25317	1.5
604.25446	0.6
617.23706	5.0
618.23663	0.8
631.24860	4.6
632.25391	1.2
645.23505	1.2
646.23309	0.5
702.31006	0.8
703.30927	100.0
704.31293	21.5
712.05432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46454	0.5
54.19926	0.5
55.97156	0.4
57.28588	0.5
77.41238	0.4
96.86029	0.5
104.43742	0.4
105.03439	0.4
109.03648	0.4
112.68275	0.4
154.82854	0.5
161.02469	1.5
179.80257	0.5
205.03156	4.1
229.06447	0.7
233.83847	0.5
251.07146	0.6
281.10031	2.5
296.08682	1.3
297.09586	0.6
305.11945	0.9
306.09515	0.5
307.07883	0.9
309.09402	1.6
311.10938	2.3
327.08032	0.6
328.07672	3.8
333.13086	1.0
349.12347	0.8
364.15872	0.7
365.15704	11.0
366.16052	1.2
376.01428	0.6
419.53482	0.6
527.19019	0.8
533.17401	0.5
541.20428	6.0
542.20648	1.1
559.16101	0.6
563.19720	0.6
571.22827	0.5
587.22992	1.3
601.23877	0.9
603.25513	1.6
604.26703	0.5
617.23657	7.7
618.23944	1.0
631.25110	5.6
632.25439	1.0
633.23090	0.8
645.23761	2.5
703.30933	100.0
704.31311	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	703.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92069	0.3
54.88990	0.3
57.03444	0.4
59.01382	5.2
61.98835	1.7
65.03957	0.3
71.01396	2.4
71.54498	0.4
72.99321	0.3
73.02958	1.0
73.14809	0.3
75.00884	0.4
79.95771	0.3
83.05026	0.5
85.02962	0.9
87.00908	0.6
89.02464	1.1
95.01374	0.4
96.96024	5.4
98.95595	0.3
99.00883	0.6
101.02460	0.9
101.17743	0.3
103.04080	0.4
107.05037	0.5
108.02189	0.8
109.02938	0.5
109.06578	0.4
113.02477	0.9
116.92855	0.4
119.03496	0.5
121.02989	0.7
122.03790	0.7
122.06123	0.7
123.00931	1.5
127.04031	1.4
133.02979	2.5
137.02451	0.5
138.03320	0.3
149.02472	1.8
152.07191	0.7
157.06578	0.7
159.04564	0.9
159.08171	2.1
161.02454	15.6
162.02979	1.1
163.00388	2.3
163.04018	1.0
163.07722	0.3
165.05617	0.4
175.02704	0.3
175.04027	0.7
175.07640	1.2
176.04805	1.7
177.01947	2.0
177.09232	4.3
178.02766	0.9
178.09631	0.4
187.00391	1.2
187.04044	1.0
189.01939	0.9
190.02592	0.4
199.04021	0.5
199.07645	0.4
201.05569	1.1
201.09358	0.5
202.02748	0.7
203.07149	6.1
204.07773	0.9
205.05002	0.3
209.11890	0.4
221.08153	1.5
224.04858	0.4
227.03575	0.6
240.04201	0.6
241.08719	0.6
242.09506	2.9
243.09877	0.3
251.10744	0.3
252.04340	0.7
253.05042	0.4
255.03094	0.5
255.89485	0.3
267.03171	0.4
267.06616	0.7
267.10010	0.4
268.03830	1.4
277.12500	0.3
278.06271	0.3
279.02997	0.3
280.03656	0.5
281.04565	0.6
282.05475	0.4
282.08755	0.4
285.04175	0.3
293.04602	0.6
293.08810	0.6
293.11758	1.5
295.09735	0.6
296.03305	3.1
297.03577	0.4
307.05865	0.3
309.11426	2.2
310.11734	0.3
311.05652	5.3
312.05994	0.5
319.09579	0.7
321.11319	5.8
322.04794	0.6
322.11508	0.4
325.07147	1.1
326.07916	1.2
330.16037	0.4
331.30011	0.3
336.13681	1.1
337.07205	0.8
337.10806	4.7
337.14517	0.4
338.11304	0.5
347.09268	1.1
351.12341	0.5
352.13245	1.0
364.09558	0.6
365.10315	19.9
366.10608	2.3
379.11877	3.8
380.12686	6.9
381.13150	0.6
394.14099	0.7
395.15012	100.0
396.15363	12.8
411.14273	0.6
437.15894	1.8
497.18671	0.3
539.19177	0.9
557.20459	0.5
583.22034	0.7
595.25781	0.8
667.38977	1.6
688.23987	0.4
703.26099	24.2
703.36761	1.1
704.26453	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	701.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20952	1.1
59.01369	2.3
61.98815	1.7
62.71598	1.1
66.29697	1.2
69.20202	10.9
83.05063	1.0
93.03489	1.5
98.20709	1.6
107.05022	2.0
108.02118	1.1
109.18207	1.2
131.27753	1.0
145.02957	3.0
161.44356	1.1
209.11798	6.6
211.07713	2.3
212.08459	5.6
213.09026	2.5
223.07677	7.2
224.08186	1.7
225.09233	1.4
227.10822	8.6
234.06873	1.4
235.07683	3.3
251.10823	1.9
255.23346	11.6
265.12396	2.1
277.12286	2.5
287.10809	2.0
315.10349	2.0
323.74652	1.2
347.20239	7.8
371.12891	4.1
371.20157	3.5
405.15106	3.1
407.16187	1.8
421.17810	1.6
439.18640	1.3
451.18964	1.3
493.23782	1.5
515.22406	2.0
567.29303	5.7
597.85016	1.3
599.31500	7.4
600.32172	2.3
643.30450	6.9
657.35834	2.7
701.34912	100.0
702.35315	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37236	0.4
56.65120	0.3
57.03446	0.8
58.00596	1.0
59.01385	23.2
60.01698	0.5
69.03437	0.8
69.94839	0.8
69.95259	1.2
71.01387	16.7
72.99308	1.6
73.02956	6.0
79.95743	0.3
83.01392	1.8
85.02956	4.7
86.00103	2.6
87.00887	12.5
89.02451	14.1
93.03474	0.4
94.11933	0.4
95.01365	0.6
96.96020	6.2
97.02950	0.5
97.91014	0.4
99.00874	1.6
101.02455	10.0
109.03000	0.4
111.00871	0.5
113.02446	2.7
119.03508	1.0
121.02959	1.2
122.03745	0.5
125.02441	1.0
129.01888	0.4
130.04227	0.4
131.03517	24.9
132.03870	0.6
133.02965	2.5
145.02977	0.7
145.06555	0.7
145.52165	0.4
148.01643	0.5
149.02451	1.4
149.04532	3.9
157.06587	1.5
158.03764	0.6
159.04495	1.7
161.02454	20.7
162.02927	0.8
163.00366	1.0
163.07666	1.1
171.04562	0.5
173.06059	4.8
174.03270	0.6
175.03963	1.2
175.07608	1.0
176.04802	2.6
177.01901	0.7
178.02780	0.5
187.00348	1.4
187.04001	0.6
188.04733	1.3
189.01871	0.5
189.05560	1.1
191.05624	8.5
191.07164	1.4
201.05637	2.1
202.06427	0.5
203.07222	0.8
216.04335	0.6
217.05084	2.7
218.05698	0.7
219.06711	1.3
235.06107	0.5
245.80807	0.4
263.07101	0.4
291.06464	0.5
305.08237	0.6
307.09738	0.5
311.05518	0.4
315.06586	0.4
317.08246	0.6
321.03986	0.5
323.05746	1.1
325.07144	0.8
333.07730	0.7
335.09216	0.7
336.06503	0.6
337.07132	1.5
338.07932	1.1
339.08743	0.6
351.08789	2.5
361.07132	4.6
362.07376	0.6
363.08698	1.6
375.08685	0.4
376.09509	2.4
377.10098	1.1
379.08102	1.9
380.08487	0.5
389.06927	0.4
389.85001	0.4
391.11914	11.9
392.12244	0.9
393.09500	1.3
393.13464	1.2
394.10333	1.0
408.12451	0.8
409.12936	7.0
410.13229	0.7
571.18597	0.7
688.19867	0.8
703.22449	100.0
704.22815	20.2
713.53333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2245
Annotation	Amorphigenin O-vicianoside
Peak:m/z	Relative Intensity
53.56795	0.4
55.01877	0.8
57.03442	0.7
58.00590	1.6
59.01385	30.0
69.03459	1.1
70.09786	1.8
71.01387	20.0
72.99310	1.8
73.02952	7.2
75.00854	0.5
83.01409	2.4
85.02969	5.8
86.00106	2.9
87.00886	14.7
89.02457	15.4
94.05653	0.6
95.01379	0.6
96.96011	2.9
98.19961	0.7
99.00877	1.5
101.02454	11.8
111.00880	0.8
113.02485	2.8
119.03470	0.7
121.02954	0.7
125.02460	0.7
130.04285	0.9
131.03516	28.3
133.02985	2.2
143.03442	0.6
145.06564	0.8
149.02419	1.6
149.04582	3.6
157.06589	1.0
159.04536	1.9
161.02454	22.0
162.02936	1.5
163.00403	1.0
163.04027	0.8
163.07687	1.5
171.04436	0.6
172.05351	0.7
173.06088	6.1
174.03238	0.9
175.04027	1.0
175.07622	0.8
176.04796	2.6
177.01872	0.9
178.02621	0.7
187.00401	1.2
187.04013	0.9
188.04796	1.1
189.01936	0.6
189.05626	1.2
191.05634	9.2
191.07166	1.6
199.03981	0.8
201.05547	1.6
202.06352	0.6
203.03470	0.5
203.07104	0.7
216.04332	0.9
217.05103	3.1
218.05627	0.6
219.06639	1.1
241.09758	0.9
256.12137	0.7
271.14447	0.9
280.03635	0.6
287.03210	0.6
315.13574	0.6
317.08173	0.9
321.04034	0.8
323.05676	1.6
325.07150	0.9
335.09326	0.8
336.06613	0.7
337.07150	1.8
338.08041	0.8
339.08698	0.7
351.08774	2.3
355.12967	1.0
361.07117	6.6
362.07721	1.4
363.08774	1.3
376.09473	2.9
377.10165	1.3
379.08075	2.1
391.11932	11.7
392.12213	1.6
393.09543	0.9
393.13925	0.8
394.10440	1.3
408.12180	0.9
409.12994	7.3
410.13330	1.0
451.14560	0.5
599.30811	1.1
617.31787	1.6
688.20117	1.1
703.22455	100.0
704.22748	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	701.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.49597	3.7
89.21165	0.5
109.66080	0.4
157.46548	0.5
323.16873	0.6
382.29376	0.6
437.12415	1.1
438.13406	4.0
439.13419	0.8
451.14206	1.0
452.14905	1.8
455.09866	0.7
470.12534	0.6
480.14319	1.2
481.15201	31.4
482.15588	8.0
495.16803	11.0
496.17288	3.3
497.18488	6.3
498.18521	1.3
507.13544	0.6
514.14703	2.1
523.16595	0.6
525.14270	1.1
539.15833	2.2
540.16370	8.5
541.16852	1.4
553.17285	1.1
554.18146	3.6
555.18878	58.6
556.19067	14.0
567.19073	1.3
572.15552	15.5
573.16132	3.1
586.17047	6.2
587.17249	1.8
609.20264	1.1
610.19800	0.5
627.20862	1.8
641.22620	29.0
642.22815	7.1
701.24701	63.4
702.24908	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	701.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62053	0.9
57.46738	0.9
59.01385	100.0
59.59990	0.9
61.98839	2.4
71.01543	1.6
72.50693	0.9
79.05235	0.9
192.52481	0.9
225.09224	3.3
242.07896	1.0
275.98047	1.1
277.22021	1.0
295.17029	1.2
338.34598	1.0
339.16064	5.7
356.48819	1.1
363.78110	0.9
393.17896	0.9
438.13412	6.1
439.13608	1.4
451.14459	1.5
452.14926	2.1
453.15491	1.0
481.15192	50.8
482.15518	11.2
495.16837	14.1
496.17099	4.1
497.18436	6.7
514.15125	2.6
523.16229	1.6
539.15387	2.7
540.16534	12.9
541.16815	1.9
553.16846	1.1
554.18054	3.5
555.18872	83.9
556.19098	22.7
567.18597	2.7
568.18427	1.1
569.20264	1.5
572.15546	22.0
573.15619	5.6
586.16827	7.2
587.17847	1.7
599.21674	1.2
609.20013	1.1
627.21631	1.6
641.11914	2.0
641.22595	36.5
642.22699	12.6
658.19208	2.0
701.24664	75.7
702.25092	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	701.2937
Annotation	Bisibuthiamine
Peak:m/z	Relative Intensity
56.02354	0.8
61.98826	5.8
69.54407	3.4
69.54839	3.0
82.99750	0.8
85.42466	0.9
86.18575	0.8
112.74175	0.8
127.22008	1.1
153.38370	0.9
191.02922	0.9
246.92926	0.9
293.44006	0.9
307.07883	1.5
364.15979	1.4
365.15671	8.2
366.15991	1.4
370.21622	0.9
379.13739	7.9
380.13644	1.1
494.02310	1.1
524.47052	1.0
595.21674	1.5
614.85669	0.9
617.23883	4.2
629.23328	1.7
631.21222	2.0
643.21954	3.1
701.29346	100.0
702.30139	27.7
707.00488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85582	0.3
60.04465	0.3
69.38935	0.5
69.39227	0.6
69.39521	0.7
82.62474	0.3
89.72289	0.3
104.26490	0.3
108.71393	0.3
134.03796	0.5
149.02429	0.8
149.06123	2.4
161.02455	0.8
225.09235	42.2
226.09546	3.2
237.09232	10.8
237.11642	0.5
238.09564	1.0
239.10789	0.5
272.10538	1.3
281.08151	0.6
295.17059	54.0
296.17453	5.6
331.84161	0.4
339.16031	100.0
340.16360	10.3
340.20523	0.4
701.30963	4.3
702.31433	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	701.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50256	0.5
57.03458	6.3
58.02991	5.7
59.01384	2.0
69.77623	2.8
70.02990	5.7
71.01376	1.0
72.00914	2.2
72.04559	1.4
73.02935	1.0
74.02482	35.3
74.69021	0.5
85.02980	0.6
87.61182	0.7
89.02488	0.8
89.64936	0.6
90.29288	0.6
96.96092	0.6
98.02485	9.1
101.02515	0.9
104.59253	0.5
116.03553	10.2
116.05077	14.0
121.35806	0.6
130.06613	1.4
138.53448	0.5
142.06631	2.8
159.09293	3.0
163.07675	15.1
164.08051	0.9
168.75832	0.6
201.10350	3.3
203.08282	40.5
204.08607	2.2
245.09325	100.0
246.09671	7.2
279.12396	3.6
291.54269	0.6
553.32031	1.4
709.27362	0.7
721.05951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
61.98845	3.0
71.54720	0.6
81.18016	0.5
103.70566	0.4
107.04995	0.6
108.02168	0.5
109.06583	1.5
109.41063	0.4
121.02963	1.9
122.03755	3.2
130.93446	0.5
144.05751	0.8
157.06610	3.4
159.08176	8.9
171.10330	0.6
175.07701	2.7
177.09229	8.0
178.09512	0.6
201.05563	0.9
203.07149	36.4
204.07500	1.9
221.08203	100.0
222.08545	6.1
229.57414	0.5
300.32791	0.5
339.10080	0.8
435.14441	0.9
443.97531	0.6
481.22168	0.6
569.68298	0.5
583.23358	1.7
619.21875	0.6
642.45789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01384	2.3
61.98832	0.3
69.24532	0.5
69.24935	1.8
71.01389	1.0
72.51730	0.2
73.02958	0.5
73.34379	0.2
75.00883	0.3
78.95879	0.2
79.51907	0.2
79.95750	3.7
82.95422	0.3
83.01380	0.3
83.05077	0.4
85.02983	0.4
87.03345	0.3
96.96022	100.0
97.95946	0.3
99.00887	0.3
99.04562	0.3
101.02460	0.6
113.02472	0.4
114.93459	0.3
119.05048	0.6
125.02451	0.7
127.04012	0.4
139.07657	0.2
143.95631	0.2
150.03265	0.5
161.02475	0.5
165.05617	0.3
183.66025	0.3
193.05157	0.4
200.79524	0.2
203.07114	0.7
204.11606	0.3
209.11780	0.4
219.13947	0.5
221.08217	0.4
263.12906	0.6
268.04068	0.3
283.06024	0.7
288.69504	0.2
355.15665	1.1
395.14996	3.3
396.15359	0.3
453.12149	0.6
455.15536	0.5
517.48706	0.3
557.19952	0.3
599.21057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.3
59.01386	46.9
60.01677	0.6
69.03471	1.0
69.25261	6.1
71.01016	1.2
71.01392	19.2
72.99312	3.3
73.02942	2.4
75.00883	11.0
83.01381	1.6
85.02961	15.1
87.00895	5.4
89.02464	10.7
93.03448	1.2
95.01394	4.6
96.96015	1.6
98.20687	1.4
99.00884	6.4
99.04535	4.0
101.02461	5.0
103.00381	1.4
111.00944	0.7
113.02464	18.4
115.00397	1.8
117.01950	1.1
119.03523	2.4
121.02983	3.3
129.01964	1.1
132.02153	1.2
133.02953	0.9
134.02866	0.6
134.03702	3.9
137.02403	1.7
151.03999	0.8
157.01454	0.9
160.01678	5.7
165.01952	3.1
165.12842	1.1
167.03531	0.7
175.02487	2.1
175.04016	8.4
177.01772	0.7
179.03549	1.1
180.04253	2.4
183.40228	0.7
189.12865	2.5
191.07092	0.9
193.05078	5.0
195.06624	2.3
205.07169	1.3
207.13846	3.4
209.11867	8.6
212.40108	0.7
223.06306	0.8
225.07770	1.2
225.11327	2.1
225.14984	1.6
231.05191	0.9
235.06143	2.0
249.06148	11.5
251.12886	1.3
267.07184	8.6
269.13928	4.0
309.08429	4.5
473.16733	11.1
474.16864	1.3
501.20026	1.4
519.20850	13.6
520.21136	1.7
537.12787	1.1
681.26294	1.7
699.27258	100.0
700.27496	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	695.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46241	0.8
54.70905	1.0
55.43452	1.0
59.01380	1.6
61.98825	1.3
70.00940	4.2
77.80067	0.9
127.73479	0.9
149.06099	1.4
161.02473	1.0
219.84058	0.9
225.09206	39.4
226.09648	3.3
237.09229	10.5
293.15561	1.1
295.17044	40.6
296.17401	4.3
311.16498	1.8
339.16013	100.0
340.16403	11.5
355.15515	7.6
507.48938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31642	0.2
59.01385	100.0
60.01721	1.3
61.60380	0.3
61.98845	1.4
69.29128	0.9
69.29559	1.2
71.01390	0.6
73.03009	0.3
73.03431	0.2
77.35682	0.2
78.95912	0.4
96.96025	1.2
98.20721	0.6
101.02466	0.3
108.02217	0.3
113.02447	0.4
121.02982	2.0
125.02448	0.3
131.26213	0.2
135.04604	0.5
151.00473	0.4
152.99631	0.3
157.06664	0.4
162.06877	0.4
163.07762	0.3
175.07664	0.4
177.09290	0.4
191.03607	1.1
199.13452	0.3
209.04510	1.5
211.07600	0.3
229.75267	0.3
248.46106	0.3
263.07349	0.3
264.94470	0.3
349.38199	0.3
391.19046	1.5
409.20071	1.9
425.19724	0.4
593.13586	0.8
697.41510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96267	0.2
59.01372	0.2
61.98840	0.5
70.65905	0.6
79.05538	2.1
87.00867	0.7
93.03472	0.3
96.96029	0.3
107.05038	11.7
108.05370	0.3
129.07117	0.5
131.08675	1.3
133.06592	0.5
135.04466	0.2
145.03015	0.3
148.01688	0.5
157.06596	6.6
158.06969	0.5
159.04532	2.4
160.05327	1.3
166.03522	0.2
173.06032	0.3
175.07658	19.2
176.07916	1.1
201.05589	18.2
202.05936	0.7
219.06631	100.0
220.06958	6.2
403.11929	0.4
407.14755	0.5
435.14465	0.9
497.14648	1.2
515.66107	0.2
645.35596	0.2
729.14734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03448	2.5
58.00589	1.4
59.01385	47.9
60.01714	0.7
69.03462	1.2
69.77641	3.0
71.01392	19.9
72.01691	0.7
72.99318	4.0
73.02963	2.2
74.13201	0.6
75.00877	9.7
78.96880	0.6
83.01394	1.6
85.02954	14.1
87.00883	5.2
89.02457	9.8
91.13723	0.6
93.03446	0.9
95.01426	3.6
96.96021	1.6
98.20612	1.3
99.00886	7.1
99.04541	3.9
101.02448	5.6
103.00392	1.8
111.00945	1.2
113.02460	17.7
115.00353	2.3
117.01963	1.6
119.03506	1.5
121.02939	2.5
129.02014	0.9
132.02187	1.2
134.03764	2.9
136.01584	0.8
137.02394	0.8
149.06082	1.2
150.03223	0.7
150.42928	0.8
157.01486	1.0
160.01695	6.4
165.01953	3.2
165.05583	1.1
175.02586	1.2
175.04031	8.0
178.02681	0.9
180.04254	1.9
189.12892	3.1
193.05034	3.9
195.06656	2.5
205.07132	0.8
207.13934	3.0
209.11852	6.9
223.08372	0.7
225.11351	2.8
225.14990	1.3
249.06149	11.4
251.12938	1.5
267.07239	8.1
268.07361	0.7
269.13965	3.6
309.08313	3.4
327.84631	0.8
473.16748	10.7
474.16971	1.4
501.19885	1.6
519.20862	14.5
520.21136	1.0
537.12494	1.1
537.20361	0.8
681.25970	2.9
682.26746	0.8
699.27209	100.0
700.27618	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	695.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72155	1.1
55.01875	2.6
57.03452	2.0
58.00597	2.9
59.01386	64.8
70.39256	1.1
71.01392	43.0
72.99310	3.2
73.02950	4.9
75.00875	2.0
75.98511	1.1
79.43378	1.2
83.01418	2.3
85.02951	10.8
87.00876	4.1
89.02457	34.6
90.98606	1.6
95.01393	2.8
95.05032	1.3
95.26341	1.1
96.96025	2.4
99.00918	2.6
99.04517	3.2
101.02456	24.9
102.63905	1.2
103.82972	1.1
107.05032	1.6
113.02473	16.6
119.03518	9.8
119.05077	1.4
120.05932	1.2
121.05087	11.5
123.04555	2.3
131.03494	2.0
134.03735	1.4
135.04536	3.2
143.03551	3.0
149.04529	3.4
152.01170	1.8
153.05649	1.7
160.01727	1.3
161.04558	6.9
161.09763	1.4
161.13365	13.3
179.03482	2.1
179.05597	6.2
187.11302	21.2
188.11714	2.1
193.05127	1.3
199.11401	1.3
205.12357	16.0
206.12596	1.7
229.12245	2.9
231.10269	2.4
249.06216	1.3
249.11377	6.1
283.10370	24.9
284.10880	1.8
291.02875	1.3
333.68649	1.2
411.16708	1.5
471.22104	2.5
476.67163	1.3
515.21362	100.0
516.21814	11.5
533.23120	1.3
623.79419	1.5
651.25635	1.9
695.27759	65.7
696.28302	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	695.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01725	1.0
61.98838	2.1
69.16017	1.0
69.16425	3.7
78.95914	10.3
82.69521	0.4
82.95252	0.4
102.87350	0.5
117.88937	0.4
183.06911	0.5
186.70045	0.4
205.15872	1.1
213.04437	0.5
466.69806	0.5
499.47720	0.5
695.31189	44.1
696.31555	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	695.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13317	1.4
55.01863	1.4
57.03447	3.8
58.00579	2.7
59.01386	77.4
71.01388	53.5
72.99311	3.8
73.02953	7.1
74.02475	1.5
75.00872	2.9
78.83296	1.5
83.01379	5.3
85.02950	15.0
86.78825	1.4
87.00871	4.2
89.02454	44.8
93.07081	1.6
95.01366	4.5
98.19829	2.2
99.00873	1.5
99.04527	4.4
101.02454	32.1
104.40839	1.6
109.02901	1.4
113.02456	20.0
119.03519	17.9
120.03886	1.4
121.05064	13.6
125.02480	2.4
131.03510	1.5
135.04539	1.6
141.50319	1.4
143.03448	2.3
149.06151	2.1
151.00366	3.2
157.06488	1.7
161.04549	8.1
161.13377	20.4
179.05643	4.5
185.13167	1.6
187.11301	31.9
188.11607	2.3
205.12346	21.7
211.80614	1.7
219.86174	1.5
229.12260	3.1
230.71890	1.5
231.10268	1.7
239.38095	1.5
243.03049	2.1
245.09196	3.5
249.11263	7.3
255.03000	2.7
270.94653	1.4
271.02545	12.0
283.10373	43.3
300.02826	16.5
301.03595	7.5
335.12793	1.9
338.03067	1.4
471.22171	6.1
486.39734	1.7
515.21368	100.0
516.21692	15.6
533.26282	2.4
551.27069	6.1
651.15704	14.2
652.16187	4.1
695.27704	73.4
696.28253	14.7
713.27936	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	695.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.9
61.98822	0.4
68.87231	0.3
71.01384	2.7
71.54146	0.4
73.02936	0.9
75.00887	0.4
85.02961	1.1
87.00879	0.5
89.02454	0.8
96.96022	4.0
97.50571	0.3
101.02448	1.3
108.02123	0.4
108.03395	0.5
111.65916	0.4
113.02445	1.0
117.03448	0.7
121.02969	0.4
125.02406	0.5
131.01421	0.6
132.02165	2.4
134.03781	0.4
138.30687	0.4
143.03522	0.4
143.05042	0.5
147.00842	0.7
148.05295	0.9
149.02403	0.4
149.04561	0.5
151.04071	0.5
155.05066	0.6
158.03795	0.4
160.01712	0.5
161.02464	2.1
161.04614	0.4
163.07642	0.7
167.05038	1.7
175.00349	1.3
176.04733	1.2
179.03525	3.1
183.04517	2.8
184.05293	0.7
193.05081	0.3
194.05870	2.6
195.04527	5.4
196.05180	1.0
209.08208	5.7
211.03998	6.9
212.04712	3.3
223.04018	5.0
224.02687	0.5
224.04799	9.2
225.05070	0.6
225.15182	0.4
227.03647	0.7
239.03510	22.0
240.04099	3.9
241.04828	0.5
251.03511	0.7
256.03769	1.9
265.10437	0.3
267.02988	27.4
268.03754	29.2
269.04184	2.4
282.05353	72.2
283.06113	100.0
284.06464	7.8
323.05463	0.4
339.48682	0.4
364.61786	0.3
462.21405	0.3
473.12558	0.7
491.13562	2.1
563.34485	0.6
695.19836	14.5
695.38110	1.2
696.20142	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	695.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.1
63.02423	0.7
65.00337	0.7
69.20974	4.8
71.01396	1.6
73.02937	0.6
75.00868	0.8
82.44118	0.6
89.02448	0.9
96.96011	5.7
98.19838	1.2
107.01393	1.4
109.02949	1.1
113.02403	0.5
121.02970	1.0
125.02518	0.7
133.02963	0.8
134.03699	1.1
135.00974	0.6
147.00926	0.6
151.00375	3.2
153.01987	0.6
159.04608	0.7
163.00441	0.9
173.06168	0.6
178.99895	1.3
181.83781	0.5
187.04007	0.9
199.04045	4.0
201.01891	0.8
211.04063	1.3
215.03554	1.2
226.02722	1.1
227.03529	2.5
229.05113	0.9
229.09753	0.8
242.02176	0.6
243.03067	4.1
254.02357	0.8
255.02950	3.2
271.02490	55.0
272.02841	3.4
273.12466	0.7
285.04233	0.9
285.07288	0.7
299.01981	100.0
300.02502	12.6
301.03549	29.2
302.03915	2.4
304.95248	0.5
307.13904	0.6
327.05148	1.3
335.12491	4.1
446.08551	22.1
447.09277	14.1
448.09769	0.9
505.09946	9.0
506.09937	1.0
565.74725	0.6
609.14093	1.4
651.15662	83.0
652.16058	14.7
695.18701	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38118	1.4
59.01374	5.0
59.43119	1.4
69.81254	8.0
71.01380	4.9
75.00900	3.1
85.02982	1.6
87.00845	2.0
96.96022	2.1
99.00874	2.3
107.01410	1.8
113.02493	1.8
133.70703	1.4
151.00320	3.3
159.04478	1.7
183.04489	3.6
187.04034	2.3
195.05090	1.8
208.83739	1.5
211.04033	3.9
227.03525	16.9
241.08942	4.0
255.03029	57.9
256.03415	4.9
257.37292	1.5
267.07251	2.1
271.02042	1.8
283.02509	100.0
284.03159	27.0
285.04071	86.5
286.04431	4.1
288.87061	1.7
297.04022	2.4
298.04645	2.9
299.02124	3.0
327.05066	5.7
446.08548	14.3
447.09283	15.8
489.10403	45.2
490.10651	6.6
531.11371	6.5
651.15674	66.0
651.26697	3.3
652.15936	9.6
695.23053	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	693.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63643	0.4
59.01385	100.0
60.01723	1.1
61.98838	2.2
71.01394	0.6
72.83169	0.4
73.02952	0.6
73.54373	0.5
73.90224	0.6
84.47697	0.5
108.02183	0.6
130.46251	0.5
167.03564	1.0
197.11900	1.6
277.21762	6.9
291.23395	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	694.163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99562	0.4
59.01385	7.3
61.98837	0.7
71.01388	2.8
71.55056	0.7
72.99320	1.6
73.02957	0.8
75.00883	0.4
83.01389	0.4
85.02959	0.8
87.00868	0.8
89.02460	1.7
89.03971	2.3
95.01402	0.5
96.96048	1.9
99.00877	0.6
101.02467	1.6
106.04244	0.9
108.02191	7.2
113.02467	1.6
117.03481	5.3
121.02965	0.7
132.02199	2.4
133.01512	0.5
133.02960	1.1
134.03757	81.5
135.04082	3.4
137.02469	1.9
138.01985	84.7
139.02332	2.6
139.04022	0.9
149.04623	1.1
149.06088	8.1
150.06503	0.5
160.01677	7.1
161.04570	0.5
163.04070	0.4
175.04021	10.2
176.04364	0.6
178.02733	10.1
179.03310	0.6
193.05080	100.0
194.05408	6.2
285.04068	1.8
285.07071	0.5
293.10376	0.6
337.09344	0.6
373.26328	0.8
398.80493	0.4
411.27225	0.4
414.10431	4.7
415.10678	0.5
456.11569	1.8
469.31958	0.5
474.12677	2.6
475.12799	0.5
650.17078	1.5
650.34485	0.4
693.33435	0.7
694.32971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.1
69.31696	10.9
71.01380	2.2
78.11646	1.0
80.05064	6.3
85.02963	1.1
94.03006	6.9
94.06628	2.0
98.19927	2.3
101.02432	1.3
104.05056	2.6
106.06630	3.7
107.03780	2.4
108.04573	2.0
117.72081	1.2
122.06133	22.6
132.04582	1.6
134.03714	1.8
134.06136	8.9
136.07649	3.8
138.05617	1.7
146.06082	2.3
148.04089	1.9
148.07661	1.2
148.96742	1.2
152.07179	52.2
153.07471	2.5
174.05562	3.8
180.06647	7.6
188.07159	19.7
211.08788	4.1
225.10318	4.8
227.11833	5.8
237.10294	1.8
238.07487	2.5
239.08052	1.4
239.11923	1.9
241.09653	1.4
245.12952	5.7
251.08163	1.7
251.11865	3.7
252.09161	3.0
253.09843	11.2
254.10498	2.0
264.09027	1.6
265.09726	2.4
267.11386	5.1
277.09766	2.6
278.10513	1.7
279.07776	3.0
279.11230	2.2
293.09277	3.3
294.10217	3.2
295.10870	39.7
296.11270	4.2
307.10840	15.3
308.11377	2.2
319.12967	1.5
321.08966	1.5
323.10278	3.2
335.12433	3.0
336.12689	4.2
339.09769	3.1
390.18576	2.0
392.19647	2.2
418.17789	1.8
432.19235	2.9
436.18289	1.4
442.18027	1.9
460.18857	41.1
460.76105	1.5
461.19107	5.8
476.18210	3.2
477.59161	1.5
504.17801	100.0
505.17999	17.8
536.20428	73.5
537.20734	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	693.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17402	0.8
51.88783	1.0
57.03443	1.2
59.01157	0.8
59.01389	8.6
62.89595	0.8
69.41348	6.9
71.01384	3.9
73.02934	1.0
73.28781	0.8
80.05069	7.0
82.03000	1.7
83.71435	0.9
85.02948	2.2
89.02443	2.9
94.02995	21.1
94.06632	1.0
95.03321	1.2
96.96014	4.2
98.20656	1.2
101.02453	3.4
104.05058	3.3
106.06641	2.8
107.03778	4.6
108.04568	2.9
110.06074	1.6
113.02435	2.7
118.06596	0.9
119.05014	1.2
121.05319	0.9
122.06139	24.3
123.06448	1.1
124.07695	2.3
128.99081	1.0
130.06532	0.9
132.04541	3.4
134.03775	1.2
134.06117	10.4
136.04004	1.0
136.07689	14.5
138.05551	4.1
146.06123	2.5
148.04024	2.7
149.04572	1.4
150.05589	2.8
151.00404	1.4
151.04028	1.9
152.07190	55.7
153.07492	2.4
158.02489	2.3
160.04077	2.2
161.04620	0.9
168.06683	1.5
173.04765	1.0
174.05592	2.4
180.06647	6.7
188.07184	18.3
189.07495	0.9
190.05081	8.4
210.07916	0.9
211.08794	3.4
217.09842	1.6
224.09644	1.5
225.10336	3.6
226.11049	1.4
227.11882	3.7
229.09892	1.4
235.08719	1.0
237.10315	2.0
238.07452	1.4
239.11931	2.3
245.09001	1.1
245.12921	5.0
249.06577	1.3
251.08257	3.7
251.11902	2.7
252.08948	2.7
253.09836	10.1
254.10237	1.1
255.11333	0.9
264.08954	1.2
265.09799	3.9
267.07626	1.2
267.11398	5.0
273.12341	1.1
277.09851	2.8
279.07797	4.6
279.11362	2.3
280.08499	1.8
281.09229	2.0
281.12326	0.9
292.08496	1.8
293.09311	2.9
294.10062	4.0
295.10883	38.9
296.11221	4.8
305.09482	1.0
307.10886	14.2
308.11026	1.8
313.11899	2.1
319.12891	2.0
321.08768	1.6
323.10318	4.0
325.11954	1.2
335.12469	4.0
336.13110	6.3
337.13034	3.1
339.09860	1.9
351.10028	1.6
355.13086	13.5
356.13409	2.2
390.18402	1.8
392.19760	1.7
419.18402	1.1
432.19244	2.7
458.16867	1.4
460.18884	38.9
461.19040	3.5
476.18085	2.5
487.93909	0.9
501.14114	1.0
504.17828	100.0
505.18185	16.3
508.21085	1.6
513.22949	2.5
524.20392	1.4
536.20416	79.4
537.20648	10.9
599.25470	1.1
601.22974	4.1
633.26031	5.3
643.23822	3.0
661.25317	6.6
662.25092	1.1
670.81262	1.1
675.26581	1.4
693.27979	5.6
694.29358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
69.37659	2.7
69.38093	3.0
80.05074	6.7
94.02986	5.9
94.06633	2.1
95.64301	0.8
104.05076	3.0
106.06640	3.2
107.03761	2.6
108.04551	2.5
122.06132	21.6
124.07672	1.5
129.95674	0.7
130.06676	0.8
132.04547	2.2
134.03780	0.9
134.05208	1.1
134.06133	9.2
136.04057	1.2
136.07695	4.3
138.05566	2.0
146.06105	2.3
148.04051	2.1
148.07709	0.9
150.05679	1.1
152.07188	45.0
153.07521	2.1
160.04065	1.6
160.07697	0.8
173.04845	0.8
174.05602	1.8
180.06657	6.6
186.05602	1.0
188.07190	17.5
210.07965	1.1
211.08775	3.4
224.09543	1.3
225.10359	3.8
226.11037	0.8
227.11865	5.1
237.10382	2.1
238.07523	1.9
239.11865	1.8
245.12909	5.5
251.08186	2.3
251.11938	2.7
252.08977	2.1
253.09827	8.9
254.10054	0.8
262.07666	0.8
264.09033	1.5
265.09756	3.3
267.11243	4.9
273.12344	1.2
274.12961	0.8
277.09885	3.4
279.07785	3.3
279.11093	1.7
280.08539	1.2
281.09283	0.7
292.08365	1.1
293.09299	2.7
294.10181	4.0
295.10901	37.0
296.11258	3.4
307.10876	16.0
308.11264	1.7
313.11694	1.4
317.11111	1.2
318.12079	0.9
321.08789	1.0
323.10345	2.4
335.12357	3.5
336.12860	5.4
337.13193	4.4
339.09619	1.0
351.09943	1.1
360.17184	0.8
392.19833	1.1
400.54749	0.8
418.17914	1.1
432.19205	2.6
433.19513	1.0
449.72336	0.7
458.16983	1.0
459.17810	1.0
460.18796	35.4
461.19266	5.4
463.16858	0.8
476.18390	2.6
504.17804	100.0
505.18094	13.9
536.20422	72.1
537.20660	11.3
665.10406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.6
59.01388	27.9
66.62083	2.3
69.65829	14.0
71.01380	14.3
73.02949	5.3
80.05061	4.8
82.24398	2.4
85.02928	3.6
87.00914	2.4
87.68180	2.6
89.02441	9.1
94.02967	3.6
94.06631	3.2
95.01352	2.7
96.96008	7.9
101.02451	9.9
104.05040	4.4
106.06634	4.2
107.03780	2.8
108.04581	5.4
110.06148	3.2
113.02460	5.5
115.27904	2.4
115.87405	2.3
119.03472	3.8
122.06138	23.7
134.03720	9.2
134.06143	18.8
136.07689	11.6
138.05615	3.0
140.07204	19.7
149.04787	4.6
149.06085	2.7
150.05595	5.7
152.07173	37.2
160.01671	6.5
160.04103	2.9
161.04762	6.3
161.13408	4.3
162.05653	8.0
164.03528	6.7
164.07175	8.4
166.05074	2.9
167.05936	4.7
172.04066	3.1
174.05585	3.3
175.04015	9.5
178.02756	3.6
179.05664	2.7
180.06685	3.8
187.11263	7.6
188.07159	8.4
190.05078	3.6
193.05083	15.4
202.27957	2.3
204.06622	4.1
205.12244	3.8
211.08638	3.5
212.05916	6.4
224.09483	3.7
225.10352	4.8
227.08305	2.6
227.11862	3.3
237.10324	6.0
239.08325	7.9
240.08948	5.2
241.09741	3.6
243.11514	3.3
243.16197	2.2
251.08284	5.9
251.11813	3.8
252.08949	3.2
252.12686	4.9
253.06297	13.6
253.09784	21.5
255.11459	5.0
261.12366	4.6
265.06244	3.2
265.09854	2.7
266.07010	6.1
267.07843	13.6
267.11249	11.4
268.03738	6.8
268.08469	7.6
268.11993	4.6
269.12857	3.4
271.10767	3.7
273.12463	6.5
279.07712	8.7
279.11206	4.2
280.08499	21.7
281.09351	26.5
281.12274	5.0
283.06116	8.8
283.10938	3.8
293.09348	3.1
294.10077	4.4
295.10898	100.0
296.11563	28.8
297.12372	14.8
301.11884	5.7
303.13504	35.8
307.10941	5.8
313.11887	6.0
327.13492	15.8
336.13321	2.4
337.09317	2.8
339.09821	19.1
340.10391	6.9
341.11215	5.0
349.14053	2.9
355.12888	4.2
371.12415	22.2
372.12991	4.8
373.13922	3.2
404.15860	4.5
419.41946	2.4
460.18814	21.0
504.17709	39.6
505.18063	6.6
511.19559	4.6
513.23364	14.1
531.15076	13.3
536.20374	65.8
537.20575	10.3
599.24811	12.6
601.22974	26.6
602.23126	4.5
617.26691	4.4
633.25702	12.9
634.25769	3.2
643.23999	54.3
644.24060	10.7
661.25360	35.0
662.25403	6.9
675.26660	25.0
676.27448	4.8
693.27991	22.0
694.28265	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	693.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82290	0.9
55.01872	1.8
57.03430	3.9
59.01386	41.7
67.01887	2.4
67.74990	0.9
68.99809	3.0
69.03434	1.6
71.01387	36.2
71.02730	0.9
71.54713	0.9
72.99287	1.1
73.02951	1.7
76.43807	0.9
81.03464	1.7
83.01383	2.8
85.02961	27.2
86.03307	1.0
87.00880	9.0
89.02450	11.2
91.04031	0.9
95.01398	5.0
96.96014	11.4
97.02978	1.0
98.95585	4.7
98.96416	1.6
99.04493	3.5
101.02448	6.8
103.00393	2.5
111.00889	2.6
111.31853	1.0
112.01627	2.0
113.02456	38.6
114.02799	1.2
119.03493	2.6
127.04011	1.1
129.01935	2.9
131.03490	1.6
133.02948	1.2
134.95148	0.9
135.04475	1.0
139.00348	1.9
152.83948	1.1
157.01393	1.7
161.13368	16.2
169.05084	1.5
172.81558	1.0
187.11340	6.5
205.07173	3.7
205.12325	17.1
249.06117	4.0
249.11403	2.8
253.05145	1.7
263.07782	6.8
281.08813	35.8
282.09186	1.7
288.24820	1.1
437.18182	1.6
448.42310	1.1
461.14444	1.1
465.52078	0.9
469.20779	19.0
470.21170	2.9
481.17004	2.2
513.19769	24.9
514.20178	3.8
661.24103	3.0
693.26141	100.0
694.26550	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	693.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03439	4.6
58.00584	2.4
59.01383	55.9
67.01875	3.2
68.99818	3.3
69.03461	3.7
71.01014	2.7
71.01389	45.0
71.54626	1.8
72.99300	5.1
73.02937	3.3
83.01400	5.1
85.02962	34.5
87.00881	12.0
89.02460	16.0
91.04018	1.9
95.01391	8.7
96.96017	6.1
99.04514	3.6
101.02457	12.4
103.00379	3.8
111.00873	2.5
112.01617	2.4
113.02466	43.9
116.92912	1.7
119.03503	3.8
119.05022	3.9
122.06088	3.0
129.01953	3.0
132.46190	1.3
134.06064	1.8
136.07648	1.5
137.02419	1.8
139.00410	1.6
149.04578	1.5
151.00383	3.6
152.07167	4.6
153.00697	1.3
154.08752	1.5
161.13350	17.6
163.04063	3.0
169.10225	1.6
175.04085	1.9
187.11316	11.9
189.04025	1.6
205.07219	4.3
205.12347	21.1
206.12680	2.0
224.04810	2.2
229.12254	1.4
231.10246	2.4
249.06093	7.0
249.11288	4.7
263.07788	7.6
268.03885	3.4
281.08789	40.4
281.11969	3.5
282.09152	2.8
283.06125	14.9
295.10818	5.7
323.15009	3.1
335.12613	3.3
336.13055	2.7
429.18155	1.7
437.18277	4.1
437.46613	1.9
445.11084	2.4
460.18564	1.5
469.20682	15.8
470.20538	1.7
481.16684	2.6
487.12299	2.0
513.19580	39.3
514.19781	6.0
536.20349	3.1
633.25519	3.2
643.24078	2.3
661.24457	9.2
675.26062	4.6
693.26080	100.0
694.26599	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	693.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
61.98838	6.6
64.28020	1.3
79.05546	1.8
80.21922	1.1
82.95404	1.3
100.23600	1.2
107.05056	6.4
108.02162	1.8
122.03815	1.4
135.04518	1.8
139.00340	2.0
146.33240	1.5
150.03165	2.3
153.01938	7.6
154.02774	1.2
156.05792	2.9
157.06610	13.2
159.04498	3.7
160.05199	1.5
165.05522	4.0
167.03429	2.6
175.07669	15.4
176.07924	1.5
177.01898	3.1
188.04831	3.4
197.11794	1.8
200.04778	1.2
201.05600	10.1
211.07623	3.0
219.06580	1.7
225.09274	1.9
227.07158	33.4
227.78024	1.2
228.07509	2.2
239.07156	1.7
240.07890	5.3
241.08688	7.5
252.04179	1.3
253.05014	12.6
255.06577	2.7
267.06650	3.3
268.07288	2.4
269.04892	1.3
269.08051	2.1
278.33551	1.5
283.09778	12.2
301.08307	2.0
303.06757	1.5
317.08115	2.5
318.08823	1.5
321.07678	1.6
349.07269	3.7
359.69092	1.4
364.09369	1.8
377.10400	3.0
378.10461	1.7
379.11914	1.6
409.12949	100.0
410.13248	12.9
691.67365	1.5
693.23254	46.0
694.23590	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	693.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.2
61.98846	3.2
69.76980	3.2
79.05540	3.9
83.01408	0.6
85.86115	0.7
103.55238	0.7
107.05037	14.3
108.02216	2.6
117.03497	1.0
123.04564	1.6
131.08682	1.2
133.02959	1.1
133.06651	0.8
135.00940	1.8
139.00389	3.9
145.03041	0.8
148.01643	1.1
149.02473	1.0
149.06117	1.0
151.03940	0.8
153.01927	6.9
154.02789	1.7
156.05812	5.2
157.06601	18.0
159.04500	3.5
160.05272	0.9
161.02454	1.0
167.03519	1.6
171.04588	1.8
173.05995	1.1
175.07660	36.3
176.08003	2.2
177.01970	3.7
183.04649	1.0
188.04846	3.2
195.01991	0.8
197.06093	1.6
199.07651	0.9
201.05589	12.7
202.05971	0.9
202.99976	0.8
209.06180	1.6
211.04106	1.9
211.07686	2.3
217.08723	1.6
219.06570	1.6
225.05573	3.6
225.09251	1.1
227.07159	45.7
228.07509	3.5
239.07143	1.7
240.07953	6.1
241.08733	10.7
243.06520	0.7
252.04362	2.2
253.05078	15.8
255.06610	5.7
267.06595	4.3
268.07367	1.9
269.04599	1.4
269.08118	1.5
271.06107	0.9
273.09244	1.8
275.07339	0.7
277.05109	1.1
277.21933	0.7
281.08286	1.0
283.09775	12.0
289.08792	1.0
290.09695	1.0
293.08289	2.0
301.08643	1.7
303.06726	1.0
305.08252	0.8
317.08276	2.4
318.08926	1.8
319.09564	1.0
320.48767	0.9
321.07666	2.3
333.11542	1.4
335.09192	1.7
337.14627	0.8
349.07086	4.8
349.10898	0.9
351.08792	0.9
353.89993	0.8
363.08768	0.9
364.09567	1.8
377.10477	2.1
379.08148	2.9
379.12271	1.7
394.10641	0.9
409.12955	100.0
410.13321	11.6
457.13016	1.1
485.12445	2.4
493.26950	0.7
601.17877	0.9
631.20007	2.0
661.21735	0.8
693.23462	66.2
694.23773	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	691.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03444	1.1
58.00596	0.8
59.01386	20.3
61.98830	1.4
64.21022	0.4
70.39732	0.9
71.01389	13.8
71.01785	0.7
72.99306	1.3
73.02944	3.2
74.48375	0.4
81.03454	0.6
83.01399	1.6
83.05035	0.5
85.02956	3.1
87.00903	3.0
89.02454	12.2
95.01402	1.0
96.86536	0.4
96.96029	4.9
97.02950	1.8
99.00873	0.7
101.02462	10.4
109.03014	0.5
111.04479	0.5
111.08180	0.5
113.02470	5.7
119.03520	3.5
125.02446	3.1
131.03532	0.7
133.02873	0.5
137.02489	0.5
139.04054	0.6
143.03517	2.4
146.96954	0.4
161.04590	2.5
179.05627	3.1
179.14484	1.1
183.10271	0.7
195.13905	7.2
196.14455	0.8
205.12363	0.5
207.10179	0.7
209.11816	2.8
211.13362	1.1
221.06688	0.5
223.13437	5.5
227.12932	0.4
228.13782	0.6
235.08217	3.4
241.13353	0.4
253.09282	1.3
256.13205	1.1
263.07892	0.6
275.20142	4.0
287.07925	0.9
287.23920	0.4
293.21265	100.0
294.21603	9.4
323.09406	0.4
397.13544	21.0
398.13681	2.0
415.14627	24.4
416.15173	2.1
691.37262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50859	0.3
57.03443	1.0
58.00595	0.5
59.01385	24.2
61.98826	1.3
63.94004	0.4
69.03450	1.3
69.34296	2.4
71.01390	14.5
72.99310	1.7
73.02950	3.4
74.58577	0.3
75.00859	0.6
75.69412	0.4
81.03459	0.6
83.01411	1.2
83.05033	0.6
84.99788	0.4
85.02956	3.7
87.00882	2.8
89.02451	12.9
90.02820	0.5
93.42693	0.4
95.01395	1.3
95.05000	0.4
96.96019	5.9
97.02948	2.1
98.95612	0.5
99.00883	1.1
99.04509	0.6
101.02451	12.4
109.02969	0.4
111.00909	0.5
111.08202	0.5
113.02460	6.5
113.09711	0.4
116.92882	0.5
119.03489	3.0
125.02435	3.1
134.55382	0.4
137.02431	0.5
143.03503	2.4
149.04590	0.8
161.04558	2.5
166.45129	0.4
179.05634	3.1
183.10301	1.7
192.19902	0.3
195.13922	6.9
196.14412	0.6
205.12372	0.5
211.13341	0.9
221.06624	0.8
223.13411	5.7
223.17044	0.5
228.13618	0.8
235.08220	2.7
253.09207	1.3
256.13168	1.1
263.07657	0.9
265.21686	0.6
275.20200	4.0
276.20242	0.4
277.09131	0.4
293.21249	100.0
294.21582	9.3
305.08893	1.0
397.13507	23.2
398.13885	1.6
415.14581	25.0
416.14963	2.0
493.35165	0.6
631.38568	1.0
654.27863	0.5
691.35614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.4
56.32185	0.8
57.03451	2.1
59.01387	47.2
61.98843	6.2
62.07374	0.8
69.03469	2.9
71.01390	33.6
71.05063	1.1
71.54588	1.6
72.01761	0.9
72.99305	4.2
73.02953	7.1
75.00891	2.2
81.03441	1.4
83.01396	4.1
83.05019	1.7
85.02962	9.7
87.00891	6.5
89.02457	27.6
90.02806	1.0
95.01415	2.0
96.96021	12.0
97.02960	6.0
98.95591	2.4
99.00892	2.1
101.02455	28.0
113.02474	14.4
116.92857	1.4
119.03515	8.3
121.02956	0.9
123.08145	0.8
125.02473	7.3
131.03551	1.5
143.03596	4.3
149.02408	1.4
149.04576	1.6
161.04556	5.8
179.05614	6.0
209.11894	1.5
209.15485	2.2
211.13347	1.3
221.15353	1.3
223.06204	1.4
231.21182	2.1
235.08250	9.4
235.17050	36.6
236.17265	1.1
253.09348	2.9
275.20187	51.7
276.20566	3.7
287.07684	1.7
293.21271	100.0
294.21585	8.4
296.07144	0.8
305.08841	3.1
323.09897	2.0
327.05017	1.0
397.13544	65.0
398.13858	5.7
415.14563	39.9
416.14978	3.4
454.33731	1.0
499.29370	2.3
631.37354	1.8
637.32642	1.2
647.32758	1.3
649.38391	1.6
691.36487	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	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38649	0.5
53.73642	0.5
55.01878	1.9
57.03436	2.0
58.00600	2.7
59.01388	55.8
60.01705	0.6
61.98837	2.5
66.10784	0.5
69.03474	2.7
69.25856	4.3
71.01391	43.4
71.05038	4.2
72.99321	3.7
73.02950	7.5
75.00850	1.3
79.01937	0.6
80.56477	0.5
81.03477	1.7
83.01401	6.2
85.02962	11.6
86.00095	0.6
87.00890	9.6
89.02457	36.8
91.04026	0.9
93.03427	0.7
95.01399	3.4
96.96017	3.0
97.02962	7.2
97.06591	0.7
99.00890	2.7
99.04571	0.6
101.02454	35.5
109.02953	0.9
109.06567	0.7
111.00881	0.7
111.04494	1.2
113.02464	18.9
113.03263	1.0
114.02811	0.6
119.03516	12.3
121.02960	0.8
123.00899	0.8
124.01662	0.7
125.02460	14.6
129.01917	0.6
131.03505	2.4
133.05054	1.1
139.04085	1.1
141.01935	0.6
143.03513	5.8
149.04596	1.5
161.04582	8.1
162.04907	0.6
167.03557	0.7
171.03098	0.6
171.10265	1.1
179.05632	8.3
185.04550	0.6
202.56139	0.5
207.10327	1.1
209.15492	1.3
211.13380	0.6
217.07259	1.4
221.06664	2.5
221.15417	1.2
223.17035	3.8
231.21165	1.7
233.15352	0.6
235.08246	15.0
235.14664	1.2
235.17049	23.5
236.08679	0.6
236.17392	2.2
237.18779	0.7
245.06598	0.7
253.09315	4.4
263.07764	2.1
275.20172	27.2
276.20557	2.3
277.09225	1.3
287.07700	2.8
293.21259	100.0
294.21548	9.2
305.08789	3.6
323.09863	2.1
335.22852	0.7
379.12881	0.9
397.13544	81.5
398.13922	8.6
415.14609	48.4
416.15027	2.9
691.38721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25959	0.1
54.09572	0.1
59.01384	2.4
60.01723	0.1
61.98841	0.1
65.22713	0.1
69.03460	0.1
71.01379	0.5
71.55152	0.1
72.99280	0.1
73.02950	0.2
79.95746	3.0
83.01420	0.1
85.02972	0.3
87.00871	0.1
89.02444	0.3
96.96021	100.0
97.95963	0.3
98.95607	0.3
99.00900	0.1
101.02448	0.4
112.07079	0.1
113.02459	0.3
113.92645	0.1
114.93411	0.3
115.92047	0.2
116.92860	0.4
125.02417	0.1
136.07701	0.3
257.09296	0.2
258.09656	0.1
273.12314	0.1
349.13901	0.1
350.14365	0.4
351.14630	0.3
408.11789	0.1
443.84625	0.1
489.34561	0.3
515.28595	0.4
555.46667	0.1
610.58112	0.1
631.20044	0.2
644.42865	0.1
655.38293	0.2
659.27551	0.3
660.28479	0.1
691.25531	0.2
691.36603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42689	0.4
53.06524	0.5
55.01876	1.7
57.03450	2.4
58.00596	2.1
59.01387	54.5
60.01723	0.6
61.98846	3.8
68.46012	0.5
68.99826	0.8
69.03464	2.7
69.80988	2.4
71.01389	46.4
71.05017	4.0
72.01720	0.9
72.99316	3.2
73.02950	8.5
74.39053	0.5
75.00873	0.9
81.03466	2.1
83.01387	5.7
83.05038	0.8
85.02953	10.9
85.03467	0.6
87.00887	10.2
87.04515	0.7
89.02454	40.5
90.02752	0.6
93.03432	0.6
94.31301	0.5
95.01400	3.0
95.05020	0.7
96.96028	1.1
97.02953	7.8
97.06590	0.4
99.00864	2.7
99.04518	0.7
101.02452	36.6
102.02789	1.1
103.00382	0.6
109.02971	0.6
111.04548	1.2
113.02459	20.1
115.04050	1.0
119.03515	12.2
121.02980	1.1
123.04507	0.5
124.01681	0.8
125.02458	13.1
127.04011	0.8
129.01917	0.7
131.03523	1.6
133.05118	0.9
139.04012	0.8
141.01924	0.9
143.03508	7.4
149.04578	1.2
157.19559	0.4
161.04565	9.0
167.03525	0.8
179.05621	7.9
185.04561	0.5
191.17975	0.7
209.15401	1.0
217.07149	0.8
221.06712	2.8
223.17044	3.4
231.21117	1.8
232.66669	0.5
233.15576	0.7
235.08235	14.0
235.17046	24.0
236.08661	0.8
236.17424	1.6
237.18707	0.5
245.06656	0.8
251.16603	0.6
253.09331	5.0
263.07782	1.7
275.20175	26.2
276.20471	2.4
277.09354	1.0
287.07794	3.5
293.21249	100.0
294.18277	0.6
294.21555	10.0
305.08780	4.0
323.09808	1.9
361.11499	1.0
379.12363	0.9
397.13522	85.9
398.13895	6.4
408.40988	0.5
415.14597	44.0
416.14944	3.3
691.35583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.9
57.03448	2.4
58.00587	1.0
59.01384	33.4
61.98832	2.6
63.79109	0.7
69.03477	1.2
69.22298	7.2
70.78027	0.7
71.01387	17.6
72.99306	1.8
73.02956	8.3
75.00883	0.9
79.95743	1.8
80.12452	0.6
83.01397	2.8
85.02954	8.0
86.00086	1.4
87.00891	5.2
87.04517	3.9
89.02465	4.8
95.01400	1.9
96.96017	39.1
98.19930	1.2
98.95594	6.0
99.00882	2.2
99.92568	1.1
101.02448	8.7
101.06045	0.8
105.01962	0.7
111.00888	1.0
113.02477	7.5
115.92072	3.5
116.92854	8.6
119.03481	1.6
119.05016	1.1
121.02937	0.8
124.01657	1.2
125.02471	2.4
132.20486	0.7
132.44318	0.6
136.07669	1.2
143.03485	0.8
145.09813	1.9
149.04550	1.2
149.06134	1.0
160.56421	0.7
161.04591	1.0
163.04039	1.6
175.04007	0.8
223.17055	16.3
224.17403	1.0
235.17073	2.4
243.87898	0.7
249.06088	0.7
267.07227	5.3
275.20227	2.4
285.03934	1.0
293.21268	6.6
311.22308	15.0
312.22614	1.0
417.14075	2.1
437.25439	0.6
455.26474	7.2
456.26984	1.0
473.27490	17.1
474.27939	2.4
497.27539	1.2
515.28625	100.0
516.28931	13.8
605.32501	1.7
631.38116	2.4
647.32678	13.5
647.41339	1.6
648.33057	3.1
649.38531	1.9
649.93158	0.8
691.26154	0.9
691.38922	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	691.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61506	0.6
59.01388	2.3
60.36572	0.6
61.98835	3.6
63.02425	1.4
67.77162	0.5
71.01383	2.3
71.54518	1.1
78.90091	0.6
83.01394	1.4
96.96052	1.0
99.06132	0.7
104.65299	0.7
107.01398	2.8
112.95139	0.7
117.03476	4.4
121.02978	0.8
149.02441	2.5
151.00372	4.7
159.04576	1.2
161.02475	1.2
171.04570	1.0
172.05264	0.9
196.05396	1.0
201.05620	1.0
211.04074	1.9
222.07474	0.6
225.05476	0.9
239.03568	4.5
240.04277	5.6
241.04869	0.8
252.82867	0.7
267.02957	2.3
268.03784	100.0
269.04489	26.6
270.04913	1.2
281.04446	1.7
283.06256	7.3
311.05637	11.4
312.06003	1.2
323.05692	1.2
341.06567	1.1
413.08853	6.5
527.34320	0.8
691.31281	88.9
692.31519	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	691.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60148	0.3
52.89476	0.2
59.01390	1.8
61.78194	0.3
76.17619	0.2
83.05016	0.8
94.02994	2.1
96.96026	0.4
107.05051	0.3
108.04562	2.1
120.04565	0.7
121.05418	0.4
122.06137	8.5
124.04046	1.4
127.94006	0.3
132.04549	0.5
134.06120	1.8
135.06885	0.5
136.04063	3.8
136.07697	9.2
137.04771	0.4
138.05638	2.3
148.04042	0.5
150.05627	9.2
150.06834	0.6
151.06004	0.3
152.07198	3.1
158.06143	0.3
159.11787	0.4
163.08752	0.5
164.07161	0.3
171.06888	0.5
174.09233	0.7
176.03531	0.5
185.09747	0.4
186.04338	0.4
186.09271	3.3
187.09810	0.4
187.11325	0.8
188.10741	0.5
190.05115	0.7
193.05154	0.4
200.10811	0.3
201.06517	2.2
201.08272	0.5
202.07166	1.5
202.08914	0.9
202.12384	1.8
212.10878	1.5
213.06549	0.5
213.08337	0.3
214.07465	0.9
215.08153	2.5
217.09892	0.3
228.10362	2.7
229.09810	12.7
230.12036	8.1
231.11646	1.0
239.08328	0.6
240.08969	0.8
241.09846	0.3
243.07727	0.4
244.08575	0.7
245.09326	5.3
245.12892	0.7
255.11406	3.6
257.09323	6.9
258.09943	1.3
259.10745	0.6
263.10254	0.3
273.12473	19.5
274.12918	1.5
275.10498	1.6
290.12784	0.5
291.13464	0.3
299.10352	0.8
317.11426	15.5
318.11667	1.4
334.11859	1.4
335.12515	100.0
336.12842	9.0
338.31821	0.3
355.12952	1.8
361.90863	0.3
555.22400	0.4
587.22552	0.2
599.21344	0.4
631.24359	0.5
691.26471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01390	10.1
64.03248	0.6
68.99808	2.1
69.77841	3.1
71.01380	4.6
72.99300	0.7
73.02951	2.9
75.00887	0.8
82.02980	1.3
82.95425	1.1
83.01384	1.1
85.02956	2.3
87.00878	1.0
88.33823	0.6
89.02451	2.2
94.02992	18.7
96.04546	2.8
96.96028	7.0
98.20657	1.0
99.00900	6.0
99.04531	1.2
101.02464	2.6
108.02174	0.9
108.04556	1.9
110.06117	1.4
113.02454	2.3
122.06119	2.2
125.02449	1.2
129.05840	1.8
131.03561	0.7
134.06123	4.0
136.04054	1.9
136.07657	0.9
137.04823	1.5
138.05627	10.3
139.05949	1.0
144.08203	7.8
149.02296	0.6
149.04538	1.2
150.05612	1.0
152.07166	2.1
159.06917	0.8
160.07715	1.4
161.04761	1.8
162.05621	2.1
167.03528	2.0
172.07712	8.4
173.08513	0.6
174.09268	5.1
186.09314	1.1
189.08022	0.8
201.10286	3.0
202.08720	2.9
204.10297	4.7
212.06017	0.7
213.06700	2.1
221.15419	1.7
225.10442	1.3
226.07509	3.6
227.08224	2.9
227.11835	1.3
229.09828	25.7
230.10188	1.3
231.08958	1.3
232.09860	3.5
241.09862	3.8
245.09367	0.9
251.11827	1.2
255.07811	1.6
257.09393	2.3
259.10892	100.0
260.11182	6.1
265.14529	1.0
267.07797	0.9
267.11276	1.3
268.93549	0.7
269.09329	0.8
269.13037	4.1
276.08798	2.9
281.09384	0.7
285.03909	1.5
285.08835	12.7
286.09296	1.5
293.09396	1.9
293.12671	0.7
309.08810	0.9
311.14023	3.0
327.10059	3.9
327.13315	1.3
329.15329	1.0
339.10004	2.0
345.14661	6.1
355.13034	1.0
387.15710	7.0
388.16379	0.8
405.16733	2.6
431.14636	2.9
458.16934	0.7
503.17001	0.8
504.17709	1.2
511.21835	0.9
515.28046	1.0
529.23029	2.8
555.22992	1.1
559.31201	2.7
615.24432	3.9
623.31683	0.8
631.24133	4.1
632.24451	1.1
641.22583	0.9
659.23724	3.3
673.25293	3.7
674.25787	0.9
690.82550	1.0
691.25922	16.4
692.26605	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	691.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70855	0.1
59.01366	0.4
71.01389	0.2
79.95747	3.5
96.96020	100.0
97.95969	0.4
138.56943	0.1
205.34132	0.1
285.04108	0.2
388.62817	0.1
437.57928	0.1
535.65875	0.1
707.07318	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.6
71.01392	4.8
71.53348	0.7
73.02960	0.9
85.02961	3.2
87.00865	1.1
89.02461	2.2
95.01399	1.6
96.96028	0.7
101.02474	4.5
107.27548	0.6
108.02185	54.2
109.02995	16.0
110.03282	0.7
113.02452	2.7
115.04028	0.9
123.00926	1.1
123.04507	1.1
133.02959	0.8
138.36969	0.6
151.03957	1.1
152.01164	49.8
153.01959	18.2
154.02238	0.7
161.04614	1.3
163.04034	1.0
165.01949	1.4
181.05188	0.8
188.18753	0.5
208.97630	0.7
250.98903	0.7
277.09308	2.2
309.12000	4.6
315.07242	100.0
316.07590	6.9
323.13425	0.7
355.17886	0.6
413.16431	1.4
631.12354	0.8
632.47632	0.6
642.39490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.9713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	54.3
65.82281	0.4
69.32194	0.3
70.11726	0.8
70.12116	0.7
90.97138	1.1
118.96674	0.6
132.98210	2.4
174.99271	26.7
175.99678	0.5
192.95880	1.0
217.00314	100.0
218.00681	3.9
218.02638	0.5
229.14281	0.4
290.96985	0.4
304.83112	0.4
340.90982	0.4
374.99243	72.2
375.99503	4.6
487.37509	0.4
517.79065	0.5
532.98163	14.5
533.98541	1.3
643.43079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70855	0.1
59.01366	0.4
71.01389	0.2
79.95747	3.5
96.96020	100.0
97.95969	0.4
138.56943	0.1
205.34132	0.1
285.04108	0.2
388.62817	0.1
437.57928	0.1
535.65875	0.1
707.07318	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63385	0.1
58.91705	0.1
59.01393	1.0
59.10620	0.1
67.87698	0.1
68.54845	0.1
71.01389	0.4
73.02945	0.3
79.95742	3.3
85.02972	0.3
89.02435	0.1
96.96021	100.0
97.95959	0.4
101.02439	0.3
113.02435	0.3
114.93435	0.4
152.07274	0.1
163.04114	0.1
225.11319	0.1
373.27393	0.1
451.20139	0.1
487.32791	0.3
513.26703	0.2
525.27570	0.2
543.28821	0.2
689.38251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.0
58.00595	1.8
59.01386	62.6
61.98833	1.5
69.16380	2.0
69.16794	10.6
71.01391	39.0
72.99322	3.9
73.02956	31.8
75.00881	3.0
82.95442	1.4
83.01387	9.8
83.05016	1.2
85.02956	11.0
87.00882	5.2
89.02464	13.3
95.01388	2.8
96.96028	16.4
97.02943	1.9
98.19941	2.7
99.00871	2.5
99.04506	2.2
101.02451	32.3
109.02924	2.0
113.02466	12.5
119.03486	4.4
119.05024	2.1
121.02995	2.0
122.06128	3.0
125.02427	3.7
131.03523	3.4
133.02959	11.6
133.10248	2.5
134.03720	1.9
137.02463	1.9
141.86203	1.4
143.03403	1.2
143.07169	1.4
146.39789	1.2
147.04510	2.5
149.04568	5.5
152.07199	2.5
157.08702	5.5
161.02444	1.5
161.04558	5.5
163.00375	1.9
163.03998	3.4
163.07620	1.6
165.01913	1.4
170.98857	1.1
171.10324	6.1
175.03989	4.0
176.21777	1.3
177.01984	1.8
183.10199	2.5
184.06319	1.2
191.03485	1.3
193.01428	1.6
200.10880	1.3
207.10172	2.2
209.11877	10.3
213.08965	2.5
225.11343	3.1
227.12897	2.4
229.09773	1.7
229.19595	2.6
231.10402	1.6
247.17027	2.7
253.05017	1.5
255.02939	2.0
259.10861	1.5
273.18567	11.9
274.13281	1.5
275.09253	3.5
284.03293	11.2
285.04019	9.6
291.19635	17.3
297.04062	13.8
298.04736	9.0
299.05624	18.0
300.06119	1.7
301.12027	1.5
309.04184	1.4
309.20660	1.5
311.05750	3.8
327.05112	91.6
328.05499	10.1
333.14612	8.1
339.05066	2.4
341.06842	1.9
357.06177	20.4
358.06485	1.9
369.06265	1.8
403.13858	2.0
447.09378	84.0
448.09778	11.5
453.25208	4.1
471.26181	8.7
495.25775	1.4
513.27057	100.0
514.27344	14.4
557.29779	1.9
581.23810	1.7
645.31146	26.7
645.40356	1.8
646.31525	4.9
657.25104	2.6
689.29352	2.2
689.39984	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	689.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18275	1.7
55.01871	6.7
58.00584	2.3
59.01387	49.8
61.98837	16.5
65.96681	1.7
69.03483	2.3
71.01389	36.7
71.54526	3.4
72.99326	4.2
73.02965	22.0
75.00890	9.7
79.95731	5.2
81.03459	2.1
83.01382	5.5
83.05024	3.4
85.02946	7.0
87.00904	4.5
89.02449	9.5
95.05068	2.1
96.96021	100.0
99.00922	2.1
101.02455	25.6
102.02760	1.7
103.97227	1.7
113.02451	11.0
119.03497	2.9
125.02449	3.1
147.03006	5.9
161.04582	2.8
165.04089	2.2
171.10294	5.9
175.04042	2.3
201.11382	2.0
207.10269	3.5
209.11855	17.2
213.09134	5.1
217.05168	2.0
225.11400	3.7
255.93596	2.2
257.08237	3.8
267.07016	2.6
275.20209	13.0
275.22775	1.9
283.05994	2.7
293.21167	8.9
311.05292	2.7
379.12100	2.9
390.24414	2.1
392.94101	3.3
431.09650	3.2
455.26563	6.1
497.27609	60.1
498.27884	8.8
557.29663	6.6
582.59839	1.9
645.31299	28.3
646.31622	5.7
689.33752	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	689.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01717	0.6
71.01397	4.6
72.99332	0.9
73.02945	4.7
79.95745	1.5
83.01394	0.8
85.02960	0.8
89.02458	0.8
90.74673	0.6
96.49639	0.6
96.96021	27.3
99.00903	1.6
99.90389	0.6
101.02470	3.6
107.05055	1.6
113.02466	2.4
119.03527	0.7
123.08295	0.7
136.07748	0.9
149.04587	1.1
157.06581	3.1
159.04477	0.9
161.02330	0.7
171.10303	0.8
175.07713	2.6
177.96465	0.6
201.05544	3.5
209.11911	2.2
213.06801	1.2
214.07405	1.8
215.08122	0.7
219.06642	13.7
223.06056	0.9
227.12175	1.1
228.08733	0.7
229.09796	5.2
233.08269	0.8
243.11362	7.8
244.08481	0.8
244.12129	3.6
245.09328	2.4
255.11467	3.4
257.09329	20.0
258.09686	1.0
259.10889	11.6
259.13483	1.0
260.11719	2.8
261.07861	2.0
267.11392	1.0
272.11713	11.2
273.12527	1.7
275.10339	9.2
275.12775	0.7
277.08789	1.0
285.04184	1.1
285.12381	1.2
290.12753	7.4
291.19815	1.8
305.08270	1.2
316.10806	3.4
321.07639	3.4
327.13678	0.7
331.13049	2.4
334.11697	4.8
339.13782	0.8
349.07556	12.8
349.14069	69.3
350.07574	1.5
350.14313	3.5
363.08960	1.3
364.09521	5.0
364.17075	0.7
367.11908	1.4
377.06714	1.0
379.11887	10.7
380.12213	1.1
385.14188	1.0
403.15167	2.7
407.11404	33.8
408.11725	3.5
477.56030	0.7
513.27008	7.2
581.24542	1.5
613.26294	2.2
629.18683	12.4
630.19263	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	689.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05431	0.9
57.03445	1.5
58.32735	0.8
59.01381	22.2
64.52059	0.8
70.81447	1.8
70.81773	0.9
71.01012	1.3
71.01385	20.8
71.94343	0.8
72.75528	0.9
72.99290	1.4
73.02951	6.8
78.98669	0.8
81.23290	0.8
83.01372	1.3
85.02974	4.3
86.00092	2.8
87.00880	11.3
89.02451	14.3
95.01409	1.3
95.05038	2.1
96.96008	3.7
97.02938	1.4
99.00871	1.7
101.02454	11.2
105.51651	0.8
108.02170	1.0
113.02439	2.4
119.03502	0.9
119.08659	0.9
121.02947	2.2
122.03740	1.1
123.00898	10.2
125.02412	1.1
131.03505	21.9
133.02962	2.6
136.17099	0.9
148.01631	3.0
149.04512	3.7
150.04843	0.9
151.03955	0.8
159.04567	1.1
161.02480	5.1
162.03239	17.6
163.03854	1.9
163.07642	15.8
173.06093	19.5
176.01146	4.0
177.05560	2.2
187.03935	1.1
189.01901	3.1
189.05431	1.4
191.03671	1.4
191.05574	9.4
191.07146	12.3
215.06973	1.1
217.05003	1.2
255.67052	0.8
290.09583	0.9
323.05804	0.9
337.07254	1.5
353.12585	1.5
362.07938	3.1
363.08560	1.8
364.09320	1.1
377.10254	8.1
378.10443	1.5
380.09045	1.6
394.10333	1.3
395.11438	6.2
396.11462	1.2
485.16666	15.7
486.16989	2.2
499.25165	1.1
512.35907	0.9
639.46826	1.0
657.18610	2.0
674.18280	1.3
689.20807	100.0
690.21301	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	687.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75275	0.4
66.20612	0.5
89.72827	0.4
98.20775	0.9
107.01372	0.7
170.07417	0.5
171.08148	0.4
215.07106	1.6
217.03127	1.0
257.72961	0.4
275.10855	2.2
305.11835	0.9
307.07861	2.3
333.13110	0.9
364.15839	1.1
365.15723	19.7
366.15952	2.0
434.02890	0.5
505.20453	0.9
507.16193	0.6
527.19037	1.1
551.22223	0.6
565.23865	1.4
571.15955	1.0
581.23480	3.7
582.23633	0.8
617.23669	5.9
618.23492	1.3
629.23608	10.7
630.23798	2.4
657.26062	0.6
671.28638	0.7
687.31445	100.0
688.31763	21.9
688.43921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58355	0.4
57.98214	0.4
58.55173	0.5
70.57281	0.4
71.53418	0.5
107.01360	0.5
159.43098	0.5
198.84242	0.5
215.07172	0.8
236.23351	0.4
275.11002	2.0
305.11859	0.6
307.03149	0.5
307.07806	1.9
365.15698	14.0
366.16016	1.9
396.76895	0.5
527.18640	0.7
565.24036	1.1
571.15637	0.6
581.23602	3.0
617.23749	4.2
629.23615	7.4
630.23608	1.2
657.26715	1.0
687.31433	100.0
688.31683	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24923	0.5
107.55836	0.5
171.08163	0.5
215.07066	1.5
216.02481	0.5
217.03030	0.5
259.07825	0.7
275.10944	2.0
305.11844	0.9
307.07794	1.9
308.57928	0.5
309.09232	0.7
365.15689	14.4
366.16089	2.8
394.11240	0.6
428.74561	0.6
565.24182	1.4
571.15790	0.8
581.23755	3.3
582.23315	0.7
586.67535	0.5
595.24762	0.7
617.23834	4.3
618.23975	1.3
629.23608	8.5
630.23663	1.7
657.26605	1.4
687.31458	100.0
688.31732	25.4
710.20575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.5
61.98838	41.6
70.24051	1.2
71.01385	6.2
71.54427	1.2
72.99299	1.3
73.02950	1.4
75.00875	2.2
83.01408	1.5
85.02952	3.0
89.02459	4.0
90.56256	1.2
96.96009	3.3
99.00913	1.1
101.02461	4.4
113.02445	3.0
125.02464	2.1
134.03789	1.2
137.02351	1.1
149.04581	1.6
151.00388	2.9
175.04001	1.2
199.04051	1.2
223.22995	1.0
227.03397	2.0
242.02170	1.7
243.03017	16.9
244.03448	2.1
255.02994	9.9
256.03467	1.1
257.04694	3.0
270.01694	2.2
271.02554	27.2
272.03168	3.4
282.92526	1.1
285.04056	5.5
286.04825	1.7
299.02002	26.8
300.02765	25.9
301.03009	1.4
314.04355	31.8
315.05096	60.7
316.05615	5.0
318.32968	1.2
375.27606	2.0
376.28165	1.3
473.66446	1.1
537.32770	5.1
538.33270	3.0
553.32092	2.0
554.32819	2.1
623.16223	100.0
624.16467	16.5
685.38184	4.8
686.26697	2.0
686.38348	4.1
689.86462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	13.3
75.28197	0.5
77.03947	0.8
81.81300	0.5
94.41582	0.6
108.02160	1.0
109.02956	1.6
115.00379	8.8
121.02966	100.0
122.03307	3.7
125.02483	0.9
133.02969	7.1
147.04517	0.7
149.02486	1.0
163.00401	1.1
163.04005	1.4
175.04056	2.0
191.03519	1.7
193.01416	0.8
195.92346	0.5
201.02016	1.2
203.03685	0.5
211.04095	0.7
213.05511	0.6
237.04062	15.2
237.08006	2.3
238.04337	1.1
243.03085	0.8
253.05182	1.0
259.54413	0.6
269.04755	0.6
276.14136	0.5
280.61496	0.6
284.03207	5.4
285.03958	4.1
297.04062	10.0
298.04749	5.6
299.05603	11.3
300.06018	1.4
311.05588	1.8
327.05106	64.3
328.05429	6.3
339.05133	3.1
357.06210	16.3
358.06641	1.9
369.06152	1.6
447.09351	57.3
448.09698	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	683.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09953	22.0
59.01375	35.4
61.98827	100.0
67.65218	22.6
69.06956	25.4
71.54442	32.2
72.02126	22.8
95.20302	23.8
115.21593	25.6
117.04684	20.2
125.42155	20.5
152.99582	25.3
196.99663	23.5
204.34602	25.0
209.76859	21.9
277.21768	69.7
555.28351	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	7.3
59.01385	9.2
59.03699	0.5
59.78664	0.6
69.87673	0.9
69.88020	2.6
70.02991	5.7
71.01392	1.3
71.43640	0.5
72.00903	2.2
72.04539	1.4
73.02912	0.6
74.02481	38.9
75.00903	0.5
75.02794	0.6
85.02923	0.7
86.02477	0.8
87.00859	0.5
89.02457	0.7
91.22832	0.5
98.02488	9.9
98.20668	0.5
99.00904	0.6
101.02467	0.6
113.02509	0.5
116.03566	10.3
116.05074	14.5
118.91710	0.5
130.06641	1.3
133.05363	0.5
142.06689	3.5
159.09254	2.9
183.09248	0.7
186.05624	1.4
201.10347	3.1
203.08286	37.9
204.08650	3.1
223.12811	0.6
223.15213	0.6
233.48720	0.6
245.09325	100.0
246.09692	7.7
249.04868	0.5
290.60544	0.6
307.17651	0.6
349.18848	0.5
613.87317	0.6
683.24158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35685	0.4
56.45198	0.4
58.02981	6.8
59.01386	9.3
60.01716	0.5
69.77878	2.7
70.02987	6.2
71.01389	1.2
72.00909	1.5
72.04552	1.4
73.02956	0.4
74.02480	43.1
85.02963	0.8
87.00885	0.8
89.02441	0.6
98.02484	7.5
101.02478	0.6
116.03558	8.6
116.05074	15.2
117.05405	1.0
130.06622	0.8
139.07593	0.6
142.06613	3.2
159.09303	3.4
165.45876	0.5
183.09326	0.6
186.05597	1.1
193.05156	0.5
201.10384	2.9
203.08276	39.8
204.08626	2.0
209.06670	0.6
245.09317	100.0
246.09656	6.9
247.09894	0.7
285.08099	0.6
321.68542	0.5
551.31006	1.0
586.08673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86750	0.3
55.01886	0.3
57.03450	0.3
58.58599	0.3
58.75520	0.2
59.01384	32.1
60.01712	0.4
61.98837	0.5
63.65036	0.2
71.01388	0.9
71.48790	0.3
71.49133	0.4
72.99309	0.2
73.02940	0.3
75.00902	0.3
85.02948	0.5
88.98816	0.3
89.02441	0.6
96.96022	1.0
101.02473	0.9
113.02457	0.9
113.75634	0.2
117.03506	0.6
119.03491	0.3
121.03060	0.3
126.99604	0.3
132.02177	0.5
134.03745	0.9
135.04556	0.3
138.01982	0.4
145.02925	0.3
146.02611	0.5
146.03746	8.7
147.04344	0.3
149.06049	0.5
155.05072	0.3
161.04741	0.5
161.06081	3.4
163.04015	0.4
163.07628	0.4
164.04797	7.1
165.05180	0.6
167.05054	0.4
179.07147	22.7
180.07433	1.3
180.09943	0.3
183.04541	0.8
193.05051	1.1
195.04517	2.0
210.03290	0.3
211.04012	2.9
223.04036	1.5
224.04619	0.6
239.03508	14.3
240.03865	0.8
267.02988	21.9
268.03525	2.5
282.05347	100.0
283.05869	13.4
284.06116	0.4
319.75092	0.3
367.66605	0.3
431.11490	1.9
432.11777	0.3
443.11249	2.4
444.11908	0.4
461.12451	17.1
462.12946	2.8
505.12247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51720	0.7
54.37337	0.6
56.74381	0.6
57.03451	0.9
58.02984	7.5
59.01378	8.5
66.44733	0.7
69.79115	1.2
69.79523	2.5
70.02980	6.7
71.01370	1.6
72.00902	3.1
72.04562	1.2
73.02965	0.6
74.02480	43.6
74.51059	0.6
85.02979	1.2
96.96022	1.6
98.02481	8.9
101.02490	0.8
101.12296	0.7
103.14334	0.6
116.03558	9.0
116.05067	17.4
123.02555	0.6
130.06625	1.9
142.06635	3.7
159.09303	2.3
164.14865	0.7
174.05676	0.7
183.09242	0.8
186.05608	1.0
193.05099	1.1
201.10358	3.2
203.08276	40.0
204.08536	3.0
204.77292	0.8
205.08781	0.7
214.97736	0.6
245.09317	100.0
246.09651	11.0
247.09865	2.6
270.55362	0.7
289.08368	1.0
291.59406	0.7
318.91779	0.7
338.03860	0.7
352.27777	0.6
439.26416	0.6
439.58838	0.7
544.55963	0.8
609.14911	1.2
681.22369	0.8
697.05438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2348
Annotation	Tiegusanin F
Peak:m/z	Relative Intensity
50.99022	0.5
51.85381	0.6
59.01360	0.8
61.98827	1.7
68.11382	0.7
71.25678	1.5
72.94039	0.6
80.95036	0.8
88.50304	0.6
96.96027	0.8
108.02203	5.0
123.04502	1.8
128.17870	0.7
135.00888	0.8
148.01642	1.1
151.04030	0.8
161.02539	0.9
163.00340	1.5
167.03481	1.7
179.76767	0.6
187.03987	0.8
198.03220	0.8
213.02089	0.6
224.03284	0.7
225.05583	0.7
225.09442	0.7
232.20462	0.6
253.04979	1.7
255.06683	0.9
261.22937	0.6
271.06122	6.1
276.56329	0.6
277.04996	0.8
277.21582	1.0
302.09845	0.6
310.80200	0.7
343.09698	2.0
349.10721	2.4
354.08606	0.7
371.09149	2.0
384.06186	0.7
385.10776	1.1
386.11572	1.6
397.14313	0.9
399.15964	1.5
407.12872	0.8
409.12808	0.7
409.20050	1.6
412.05865	0.7
413.17847	0.8
440.16345	1.2
441.09644	0.7
455.18655	2.6
458.17508	3.5
471.17969	2.5
471.53122	0.7
472.18991	1.3
477.26575	0.8
483.14627	0.9
489.13278	1.1
504.12112	0.8
517.13049	2.0
518.13635	2.3
519.14453	1.0
530.14008	1.2
533.15710	1.2
547.21667	1.0
557.16083	0.9
561.22809	1.2
572.18262	1.5
573.19189	11.7
574.19519	2.3
578.23346	1.5
587.20721	4.7
588.21619	2.7
589.19946	1.0
605.21716	1.4
619.23645	8.8
620.23712	2.0
637.24487	22.1
638.24469	3.5
663.23529	0.8
681.23413	100.0
682.23657	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33406	2.0
55.76362	1.9
69.61983	11.9
69.62382	4.4
80.09909	2.4
87.79997	2.1
108.02208	10.9
123.04539	8.1
131.05099	2.2
149.02454	4.8
161.02509	4.0
162.03250	47.7
173.85016	2.2
177.05571	15.9
203.07100	3.0
204.07927	9.8
205.08650	2.7
219.10287	4.5
239.07199	3.2
240.07954	3.7
251.07086	5.6
252.07919	31.2
253.08301	3.0
267.10352	14.8
267.14069	2.5
269.04437	2.4
294.12717	10.5
295.13397	44.2
296.13916	3.8
310.15720	3.2
311.05487	3.5
468.60181	2.3
487.21222	3.6
497.06299	2.3
517.15027	9.1
532.17358	2.6
625.78589	2.2
637.24243	28.8
638.24927	6.7
644.24121	2.6
681.23474	100.0
682.23828	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	681.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84262	1.0
54.07566	1.0
59.01354	1.9
61.98834	3.5
63.56849	0.9
65.97353	1.0
70.69018	2.9
71.94688	1.0
74.92645	0.9
86.15830	0.9
98.12110	1.0
107.05066	1.7
108.02209	4.9
109.29134	1.2
113.96366	1.3
121.03026	1.1
123.00916	1.4
123.04525	1.8
125.67395	1.0
135.00832	1.1
135.04533	2.0
147.04500	1.4
149.06108	1.0
151.00270	1.2
151.03999	1.2
157.06561	1.6
159.04521	2.4
161.02531	1.6
162.03305	1.1
163.00446	1.8
167.03529	2.5
175.03972	1.9
175.07625	3.5
201.05566	2.2
203.07204	1.9
215.07152	1.3
225.09213	2.2
227.10677	3.2
251.07190	1.9
252.04318	1.3
253.05064	1.9
257.08029	1.7
265.08670	2.1
277.05203	1.4
279.13696	1.0
285.04041	1.3
293.15598	1.7
320.26639	1.1
343.09726	1.4
349.10815	2.2
355.77829	1.1
371.09296	1.3
399.08832	1.3
401.10886	1.4
405.20523	1.5
407.18521	2.7
409.20206	22.7
410.20383	1.4
421.14755	1.5
425.19592	4.8
427.21307	7.2
433.19934	2.1
449.19736	6.2
458.17310	3.5
477.12643	1.4
503.11292	1.8
517.12823	3.6
518.13745	3.1
530.13293	1.5
545.20380	1.2
561.22620	1.3
573.19080	9.5
574.19623	2.5
587.20496	3.6
588.21021	4.1
589.19153	1.5
593.25134	1.2
605.21765	5.0
606.22931	1.3
619.23126	7.1
620.23572	1.5
637.24493	30.3
638.24689	5.8
645.38013	1.5
663.25983	6.1
681.23425	100.0
682.23828	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	681.2344
Annotation	(+)-Boehmenan X
Peak:m/z	Relative Intensity
59.01369	4.5
61.98834	6.0
69.34058	8.7
71.01363	2.3
81.03449	1.4
89.03960	2.5
93.03476	1.3
96.95986	1.6
98.20618	2.0
101.02388	1.4
105.03449	2.0
107.04993	1.9
108.02193	10.7
109.02969	6.3
121.02968	3.7
123.00851	4.4
123.04533	9.0
131.05040	2.6
133.02979	16.1
135.04501	1.6
138.03217	2.9
144.79608	1.3
148.01610	1.4
149.02432	10.6
149.06134	1.6
153.57938	1.1
159.04482	1.8
161.02489	2.4
163.04021	1.6
167.03430	1.7
175.03931	1.9
175.07611	3.0
175.62401	1.0
176.01176	1.7
177.01941	83.0
177.05495	4.1
178.02278	4.8
191.03433	3.3
192.04301	58.6
193.04572	3.3
203.07037	2.9
204.07965	2.1
225.09145	3.4
226.09677	1.6
237.09171	1.7
239.10747	1.5
251.07094	2.3
251.10654	3.2
255.06715	1.2
267.08014	1.4
270.05148	1.3
281.24695	1.7
282.25156	2.7
294.12595	1.9
295.13361	10.2
295.17001	3.4
336.33344	1.2
339.16174	1.4
341.06473	2.7
342.07346	1.4
391.19211	1.4
397.13547	1.4
398.13742	2.0
399.14020	2.7
407.18344	1.2
409.19928	4.5
425.19568	1.8
427.20642	1.5
433.20087	5.1
441.16989	3.9
449.19653	1.4
472.18832	1.8
487.21246	49.1
488.21671	7.9
501.39911	1.4
513.20386	1.4
605.21802	2.7
645.37756	5.0
663.26880	1.8
681.23340	100.0
682.23633	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	679.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17060	0.6
58.02978	9.1
59.01360	0.8
69.52737	2.9
69.53143	1.6
69.68477	0.6
70.02990	7.3
72.00918	2.7
72.04539	1.3
74.02477	44.1
77.82589	0.6
84.94729	0.6
93.20242	0.6
96.96028	3.5
96.98627	0.7
98.02485	10.9
116.03551	12.9
116.05063	16.7
117.05411	0.9
130.06670	1.6
142.06654	4.4
159.09312	4.7
183.09250	1.2
186.05548	0.9
201.10280	3.7
203.08278	43.9
204.08583	2.5
245.09328	100.0
246.09631	6.1
299.04437	0.7
315.78732	0.7
451.23132	0.6
576.10468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
57.03460	4.3
59.01386	32.5
61.98841	2.0
68.99810	2.4
69.03465	2.3
71.01388	17.1
71.55087	1.0
71.55502	0.7
72.99300	2.0
73.02966	6.0
75.00880	3.7
83.01400	3.9
85.02974	11.8
85.06620	1.0
87.00890	3.3
88.98833	0.9
89.02448	5.9
95.01373	2.4
96.96021	7.4
97.02942	1.5
99.00903	4.3
99.05855	0.8
101.02457	8.6
108.02171	1.1
109.02969	1.2
110.34167	0.9
110.38118	0.8
111.00876	2.1
113.02460	10.5
113.99606	6.9
115.00395	4.8
119.03523	1.0
121.02972	1.1
121.22527	0.9
121.88454	0.8
122.06182	1.2
125.02467	2.7
127.00350	1.5
129.01917	1.8
134.03685	1.4
135.03001	0.9
135.04539	1.4
137.02406	1.0
143.03471	1.1
146.03754	0.8
149.04573	1.1
149.06062	1.0
152.01164	1.4
152.07152	1.0
157.01405	2.8
161.04507	2.6
179.07127	2.0
188.48868	0.8
193.05026	1.7
213.09152	1.2
225.05582	1.0
227.16670	1.0
229.08998	1.1
239.03462	2.2
267.03073	0.8
268.03799	1.5
269.04495	1.6
277.05655	7.2
284.86191	0.9
296.03281	19.8
297.03989	9.8
298.04404	1.8
311.05667	6.1
311.25983	1.5
313.23801	8.0
326.04288	1.5
339.25491	1.2
341.06464	2.2
341.27066	2.0
359.28052	77.4
360.28421	7.5
426.40677	1.0
475.32675	1.1
487.32684	2.0
503.28809	2.8
505.33606	1.1
559.31104	1.4
561.33081	1.1
577.32104	3.0
619.37067	12.9
620.37122	2.0
635.34857	1.4
637.38275	8.5
638.38123	1.3
679.35394	100.0
680.35718	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	679.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03461	3.8
58.00597	1.5
59.01383	49.2
69.45343	0.7
71.01389	41.3
71.54510	1.1
72.99313	4.9
73.02962	4.7
75.00880	12.2
81.03439	0.9
83.01377	2.3
85.02960	23.2
87.00878	8.6
89.01937	1.3
89.02454	19.4
90.02817	0.8
95.01383	4.1
96.95993	2.6
99.00894	9.2
99.04507	1.7
100.82271	0.7
101.02447	14.4
103.00377	1.9
105.05555	1.5
107.05022	0.7
109.02901	0.8
111.00957	0.8
113.02464	31.9
115.00384	2.1
117.01936	1.5
119.03532	6.1
119.05010	3.4
126.79385	0.8
129.01921	3.1
131.03499	2.2
134.03685	1.3
135.04547	1.4
143.03496	0.8
149.04515	1.4
157.06517	1.3
159.02998	0.8
160.01666	2.1
161.04594	3.8
161.09702	1.0
161.13380	13.7
163.03969	2.5
175.02493	1.6
175.03937	2.3
177.04030	2.5
179.03491	1.2
183.53601	0.8
187.11293	13.2
188.11481	1.2
193.04968	1.9
204.30200	0.7
205.12343	11.0
206.12491	0.9
227.03371	1.0
229.12300	1.2
231.10269	0.9
247.17766	0.8
249.06224	10.1
249.11249	2.9
255.02861	1.9
267.04337	1.6
267.07156	32.6
267.10733	11.1
267.84241	0.7
284.03125	3.0
285.03992	3.6
293.64285	0.8
298.04791	1.1
323.15067	1.2
357.09808	1.1
437.17651	1.3
442.99603	0.9
455.18436	5.8
456.87573	1.0
483.14352	1.0
499.18149	10.6
499.21756	18.9
500.17648	1.6
500.22153	2.5
501.13892	2.1
517.19409	1.5
547.24402	1.8
572.96417	0.9
635.16443	2.9
679.24677	100.0
680.25134	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	679.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10262	1.0
70.03469	3.3
70.03882	2.4
74.16190	1.2
83.28970	1.1
96.96029	1.7
98.20603	1.4
102.53763	1.0
105.03490	1.3
107.05022	4.1
121.02962	2.7
131.08681	1.4
133.02959	1.4
143.05125	1.4
157.06612	7.4
158.03737	4.8
159.04398	2.0
168.05821	1.2
169.06538	2.5
170.03717	1.7
171.04489	2.4
175.03984	1.7
175.07649	11.5
181.31725	1.3
183.08096	1.7
186.03294	1.5
191.10764	1.1
197.05965	1.2
201.05605	7.4
203.07025	2.9
209.06212	1.8
211.07645	2.7
213.09245	3.6
223.07657	1.3
225.05585	1.9
225.09190	1.6
229.05080	2.2
233.05983	1.7
235.07669	8.9
239.06989	5.6
240.07872	6.1
247.06068	4.5
249.05495	1.3
250.06393	4.9
257.94513	1.0
262.06198	1.8
263.07074	16.5
264.07672	3.2
266.73904	1.4
271.11496	1.3
275.07175	8.4
276.07849	8.4
277.08350	1.3
281.15558	1.3
282.16315	4.1
289.05081	11.0
290.05289	1.2
299.10623	1.8
301.05154	8.4
301.08200	2.1
303.10452	1.8
309.15002	21.6
310.15192	1.4
315.06537	3.2
316.10867	1.5
318.12723	2.1
327.15973	6.0
329.08163	3.8
337.98575	1.2
344.10602	5.7
369.18344	3.5
385.18030	1.4
387.19675	100.0
388.20105	12.3
391.19308	2.3
391.53540	1.2
413.17621	39.7
414.17661	3.8
431.18640	72.8
432.19061	7.6
495.21243	2.5
521.20288	2.2
539.20746	23.3
540.21069	3.1
581.54718	1.2
617.25616	3.4
639.33545	1.1
643.23450	4.0
653.89807	1.2
661.24475	4.5
679.28107	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	679.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10262	1.0
70.03469	3.3
70.03882	2.4
74.16190	1.2
83.28970	1.1
96.96029	1.7
98.20603	1.4
102.53763	1.0
105.03490	1.3
107.05022	4.1
121.02962	2.7
131.08681	1.4
133.02959	1.4
143.05125	1.4
157.06612	7.4
158.03737	4.8
159.04398	2.0
168.05821	1.2
169.06538	2.5
170.03717	1.7
171.04489	2.4
175.03984	1.7
175.07649	11.5
181.31725	1.3
183.08096	1.7
186.03294	1.5
191.10764	1.1
197.05965	1.2
201.05605	7.4
203.07025	2.9
209.06212	1.8
211.07645	2.7
213.09245	3.6
223.07657	1.3
225.05585	1.9
225.09190	1.6
229.05080	2.2
233.05983	1.7
235.07669	8.9
239.06989	5.6
240.07872	6.1
247.06068	4.5
249.05495	1.3
250.06393	4.9
257.94513	1.0
262.06198	1.8
263.07074	16.5
264.07672	3.2
266.73904	1.4
271.11496	1.3
275.07175	8.4
276.07849	8.4
277.08350	1.3
281.15558	1.3
282.16315	4.1
289.05081	11.0
290.05289	1.2
299.10623	1.8
301.05154	8.4
301.08200	2.1
303.10452	1.8
309.15002	21.6
310.15192	1.4
315.06537	3.2
316.10867	1.5
318.12723	2.1
327.15973	6.0
329.08163	3.8
337.98575	1.2
344.10602	5.7
369.18344	3.5
385.18030	1.4
387.19675	100.0
388.20105	12.3
391.19308	2.3
391.53540	1.2
413.17621	39.7
414.17661	3.8
431.18640	72.8
432.19061	7.6
495.21243	2.5
521.20288	2.2
539.20746	23.3
540.21069	3.1
581.54718	1.2
617.25616	3.4
639.33545	1.1
643.23450	4.0
653.89807	1.2
661.24475	4.5
679.28107	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	679.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
59.56571	1.3
61.98850	7.6
64.75033	1.0
69.34915	9.1
79.05524	2.8
80.96531	1.3
84.30036	1.0
107.05035	18.5
116.92883	1.2
119.05048	1.2
131.08676	1.2
133.06633	1.3
135.04558	1.5
148.01701	1.1
157.06598	13.5
159.04552	2.4
165.07111	3.0
171.04590	1.6
175.07657	22.6
183.01117	1.1
183.08192	1.8
187.07689	2.1
189.07004	1.1
193.06606	1.1
201.05585	29.5
202.05948	2.8
203.07133	3.7
203.08820	1.5
209.06473	1.0
211.07605	2.0
213.09012	1.5
215.08578	1.1
219.06641	100.0
220.06958	4.4
223.07677	1.3
225.09241	5.4
227.10707	1.6
231.06587	2.7
233.06068	2.0
235.07709	2.2
237.09204	2.2
239.10881	1.5
245.06006	2.1
246.06750	2.1
247.07669	11.7
248.08275	4.8
249.09256	1.5
251.07063	1.7
259.05756	2.5
259.07800	3.9
260.08521	1.9
283.11279	2.4
285.09088	1.4
287.10687	1.6
291.06570	1.4
299.10818	2.1
301.12289	4.1
327.10403	1.8
328.11032	1.8
363.19614	1.4
369.18811	2.2
370.19394	2.6
371.20206	21.0
372.20563	2.3
373.18130	1.5
375.19769	1.6
387.19281	1.2
391.19238	3.3
395.14984	2.3
397.18115	12.8
398.18307	1.7
407.18451	4.6
409.20010	3.4
415.19180	42.0
416.19543	4.9
423.18051	2.6
425.19754	5.6
441.17130	9.3
442.17267	1.6
447.18033	1.3
449.19009	1.1
459.18176	73.9
460.18497	11.5
474.84662	1.3
643.36578	2.7
679.26318	4.6
679.38330	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	679.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13750	2.1
51.28872	1.9
57.03445	4.2
58.00586	3.2
59.01386	48.9
66.80254	2.1
68.99800	1.7
69.09518	2.4
70.28860	4.5
70.29267	3.9
70.72732	1.8
71.01017	2.9
71.01391	41.0
71.38210	1.8
72.99309	6.4
73.02932	3.3
73.22669	1.9
73.54761	2.1
75.00879	14.8
83.01421	2.3
85.02953	25.8
87.00863	8.2
89.02460	15.9
95.01394	4.6
96.95978	3.0
99.00877	8.5
99.04521	2.5
101.02457	13.7
103.00391	3.0
110.43045	1.9
111.00802	1.9
113.01723	2.8
113.02452	37.7
115.00397	2.8
117.01928	1.7
119.03458	3.4
119.05038	10.4
121.04026	1.7
129.01945	2.9
133.01413	2.7
133.02878	4.5
134.03728	3.6
135.04488	3.8
149.04597	2.4
160.01631	4.8
161.02443	3.7
161.04541	2.5
161.13338	8.5
165.05522	2.3
175.02502	3.1
175.03972	4.0
177.01917	2.3
187.11273	10.0
193.05043	4.6
193.36591	2.2
205.12349	13.8
249.06229	14.8
267.07248	41.1
267.10510	3.9
268.07336	2.9
337.09085	2.4
357.09540	4.5
357.13638	4.1
383.57648	1.9
455.19052	7.4
456.19681	2.7
499.17630	28.9
500.18341	5.3
501.14014	7.2
512.36908	2.0
547.24640	1.8
679.24615	100.0
680.24969	18.1
701.73865	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	679.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61896	0.5
55.01868	1.1
57.03441	2.1
58.00599	1.5
59.01384	30.8
59.88747	0.7
67.12226	0.6
68.99816	1.0
69.03470	0.8
69.90840	2.7
71.01387	26.4
72.01757	0.6
72.24285	0.5
72.99325	5.2
73.02934	1.8
75.00877	12.5
77.26195	0.5
79.05560	0.7
83.01369	1.5
83.05008	0.7
85.02958	22.6
85.07815	0.7
87.00878	9.9
89.02454	10.3
95.01390	4.3
98.05833	0.6
98.19959	0.9
99.00878	8.5
99.04518	1.4
101.02464	4.7
103.00373	2.4
105.01928	0.8
111.00883	1.1
113.02459	29.1
115.00422	1.1
117.01937	1.4
119.03509	1.7
119.05058	0.9
129.01947	2.4
131.03568	0.9
157.01398	0.9
159.11882	0.7
161.13364	8.3
163.03976	0.7
175.02505	2.1
175.04027	1.0
187.11302	2.4
205.07225	0.7
205.12346	5.5
207.05067	1.6
223.13498	0.6
231.05122	1.3
245.09399	0.6
248.27490	0.7
249.06166	12.1
249.11140	1.5
267.07230	41.3
268.07571	2.1
335.12463	2.2
447.05109	0.7
455.19232	8.7
456.19135	0.8
499.18198	14.6
500.18744	2.2
517.19531	0.7
614.99365	0.6
661.23669	1.1
679.24542	100.0
680.24939	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	679.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	14.9
59.01382	42.2
69.03453	4.9
71.01389	42.5
71.55333	2.9
72.99315	5.0
73.02941	7.7
75.00877	19.4
75.74766	1.5
75.90642	1.7
83.01378	3.2
83.05025	1.8
84.95149	1.7
85.02958	30.2
87.00883	20.5
89.02444	14.0
89.89466	1.5
93.03475	2.9
95.01428	2.1
96.96008	6.4
97.02952	6.2
99.00889	11.7
99.04518	4.1
101.02459	13.6
105.01941	3.6
111.00875	4.0
113.02469	12.7
117.03460	4.6
119.03548	4.0
119.05037	100.0
120.05372	4.2
125.02426	2.1
129.01984	14.8
132.02173	5.7
133.02921	4.6
133.06577	5.7
134.03728	8.8
135.04549	4.0
141.01935	4.3
145.02971	20.5
149.04668	1.6
149.06061	1.7
159.02997	4.9
160.01668	33.4
161.02440	12.1
161.04622	3.7
161.06078	10.7
161.09717	3.0
161.13358	5.9
162.03151	1.6
163.04025	79.9
164.04349	2.9
175.02711	1.2
175.04004	42.6
177.04063	92.9
177.05505	4.7
178.02701	1.4
178.04381	3.7
179.03433	3.6
187.11293	10.4
193.05022	7.1
195.05009	4.4
195.06731	2.4
205.05080	6.1
205.12288	7.6
237.06282	1.7
249.11337	2.0
255.03018	3.5
267.07120	6.1
267.10800	8.3
273.17557	1.4
284.03226	5.7
285.03943	1.9
300.38776	1.5
323.07724	12.0
335.12390	6.3
337.09280	15.4
338.09644	2.6
341.08344	2.1
428.34918	1.5
455.22656	1.9
487.11972	4.2
499.22263	17.7
501.14023	53.2
502.14398	8.2
503.13934	3.1
547.24048	5.3
635.16010	2.9
647.16083	4.3
661.17712	22.8
662.18610	2.4
679.18793	79.7
679.27887	16.9
680.18964	17.2
680.28778	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	679.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95126	1.3
57.03456	11.2
58.47137	1.2
59.01386	38.0
68.99805	1.3
69.03437	4.0
71.01384	41.4
71.13276	1.2
72.99294	4.6
73.02956	6.6
75.00883	23.0
79.95679	1.2
83.01381	3.3
84.02171	2.2
84.95086	2.3
85.02959	23.3
87.00419	1.4
87.00887	17.4
89.02467	11.8
93.03430	1.6
94.39985	1.2
95.01391	1.4
95.05025	1.4
96.95979	4.5
97.02927	4.9
99.00883	9.1
99.04482	3.8
101.01901	1.2
101.02448	12.9
105.01911	3.0
111.00849	3.0
113.02454	9.3
115.03945	2.1
117.03416	2.8
119.05037	100.0
120.05307	3.0
125.02431	1.4
127.07478	1.2
129.01949	17.1
132.02185	6.4
133.02882	3.7
133.06541	5.5
134.03761	9.8
135.04515	3.4
141.01895	2.5
145.01912	1.5
145.02954	15.5
149.04532	2.5
149.06009	1.9
159.02855	4.7
160.01683	30.5
160.02975	1.3
161.02490	10.4
161.04491	4.8
161.05986	8.6
161.13315	5.2
163.04022	77.7
164.04308	2.9
165.01863	1.7
175.04007	35.1
176.04385	2.2
177.04057	78.9
177.05505	4.7
178.04388	1.8
179.03433	2.9
179.76173	1.4
181.45360	1.7
187.11147	5.3
193.05063	9.8
195.05003	3.0
205.04890	5.8
205.12251	5.9
216.61307	1.4
229.62468	2.0
235.05666	1.3
255.02919	1.9
267.07065	6.1
267.10849	7.4
284.03085	3.2
323.07831	9.1
335.12405	6.9
337.09290	20.2
341.08383	2.5
487.11890	4.0
499.22220	15.4
501.14053	49.4
502.14343	6.6
503.14017	2.4
547.23615	8.1
635.15808	2.7
647.15564	3.3
661.08038	1.6
661.17828	22.1
662.17316	4.2
679.18091	94.3
679.27179	10.3
680.18457	14.8
680.27972	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03466	9.8
59.01112	1.9
59.01385	27.5
67.85254	1.3
69.03451	4.3
69.30309	11.9
71.01393	23.8
72.99300	4.1
73.02944	4.9
75.00472	2.1
75.00880	24.8
83.01376	2.2
84.02145	1.3
85.02959	19.5
87.00890	14.5
89.02452	12.1
90.98586	6.1
93.03461	2.4
95.04944	1.2
96.96007	6.0
97.02954	6.5
99.00882	8.1
101.02447	10.0
109.11194	1.3
111.00879	2.9
113.02412	4.5
117.03460	4.6
119.03608	2.8
119.05039	79.8
120.05366	3.4
121.02941	2.4
129.01968	14.2
132.02170	4.0
133.02940	4.4
133.06607	8.1
134.03737	10.4
135.04509	4.4
137.02373	1.5
141.01915	6.4
145.01917	1.9
145.02980	29.6
147.04594	1.7
147.99823	1.3
149.02454	2.1
149.06053	2.0
159.03017	2.6
160.01682	23.8
161.02443	19.7
161.04659	2.8
161.06091	8.9
161.13353	1.8
163.04027	49.3
164.04434	2.7
175.04030	34.3
176.04559	1.9
177.04076	74.6
177.05544	6.1
178.02742	1.6
178.04420	3.5
179.03474	5.1
187.11253	6.8
193.05098	13.3
195.05132	8.7
205.05080	5.0
205.12270	1.9
223.06111	3.9
235.06140	1.9
249.92009	1.5
267.07611	1.2
267.10812	5.4
269.04514	2.0
323.07755	25.3
324.07892	1.8
337.09296	20.3
338.09641	2.2
341.08838	7.2
350.36002	1.4
467.12021	2.8
487.12015	1.7
499.21915	18.8
501.14130	23.8
502.14502	1.9
503.14206	19.3
503.25180	1.6
504.14178	2.2
543.14697	3.1
547.24121	4.5
643.16956	6.8
661.17908	2.6
679.18677	100.0
679.28278	8.6
679.71991	2.0
680.19141	19.0
680.29413	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03438	1.3
57.26514	0.4
58.00597	1.8
59.01386	36.1
60.01702	0.5
61.98828	0.6
67.12862	0.4
68.81243	0.3
68.99807	0.5
69.03457	2.2
71.01390	31.2
71.54869	0.4
71.55251	0.4
72.01709	0.5
72.99313	2.4
73.02948	5.7
75.00871	1.1
81.03466	2.5
81.03864	0.4
83.01397	4.3
85.02471	0.4
85.02963	7.5
87.00886	8.3
89.02454	29.8
91.03996	0.7
93.08051	0.3
95.01392	2.3
96.95983	0.3
97.02967	6.1
99.00881	1.9
99.04491	0.4
101.02455	28.8
102.02764	0.4
103.00398	0.4
107.47477	0.4
109.02966	0.9
111.00891	0.6
111.04522	0.7
113.02464	13.6
114.02796	0.5
115.04011	0.7
119.03517	10.7
121.02985	0.8
122.58675	0.4
123.00908	0.4
123.04539	0.4
124.01620	0.5
125.02454	12.5
131.03499	1.1
133.05070	0.9
139.04021	0.8
141.01962	0.5
143.03513	6.0
149.04564	1.2
159.03087	0.5
161.04567	8.1
166.09605	0.4
167.03563	0.5
179.05618	6.3
181.05125	0.5
199.06166	0.5
203.05653	0.5
217.05171	0.4
217.07188	1.0
221.06586	1.9
225.09291	0.5
235.08241	13.4
245.06645	0.6
253.09334	3.2
261.22031	0.5
263.07690	1.3
277.09216	1.1
279.23306	100.0
280.23642	8.4
287.07782	2.7
305.08725	3.8
323.09903	1.3
356.72726	0.4
379.12497	1.1
386.17062	0.4
389.17606	0.9
391.19116	0.5
397.13522	74.4
397.57751	0.4
398.13989	5.9
407.18414	1.8
409.20291	0.5
415.14603	30.5
416.14896	2.3
677.36981	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03442	1.5
58.00585	2.1
59.01386	35.5
61.98825	1.1
67.01884	0.6
68.99829	0.5
69.03448	1.8
71.01389	32.7
71.35239	0.4
71.55080	0.7
72.01719	0.7
72.99326	3.0
73.02951	5.3
75.00881	1.1
80.96516	0.9
81.03452	1.6
83.01397	4.1
85.02968	7.8
87.00408	0.7
87.00887	8.3
89.02454	29.8
90.02768	0.6
91.03160	0.4
91.04005	0.6
93.03468	0.7
95.01398	2.1
96.96024	0.9
97.02957	5.3
99.00896	2.3
99.04527	0.5
101.02452	28.3
102.02758	0.5
103.04008	0.5
105.03471	0.7
107.05028	0.8
109.02982	0.4
109.66286	0.4
111.00861	0.7
111.04555	0.9
113.02463	15.0
115.03967	0.8
115.92026	0.4
116.92846	0.7
119.03520	8.7
119.05004	0.9
121.02980	1.1
122.03772	0.5
125.02460	13.0
127.04018	0.8
131.03491	1.6
133.05043	0.9
134.42805	0.4
135.04546	0.7
137.02444	0.7
139.04007	0.9
141.01935	1.1
143.03514	6.0
147.04460	0.5
149.02467	0.3
149.04520	1.1
161.02536	0.5
161.04570	6.4
163.04030	0.5
165.01933	0.4
169.05121	0.5
175.07664	0.7
179.05627	6.4
183.08171	0.5
185.04446	0.4
203.05634	0.7
211.07611	0.4
217.07254	1.1
219.06740	0.6
221.06693	2.4
223.07602	1.2
225.00549	0.4
225.09152	1.1
235.08241	12.7
236.08496	0.6
237.09135	0.8
239.10782	0.7
245.06583	1.2
251.07140	1.6
253.09279	3.5
255.06281	0.4
263.07590	1.9
263.10464	0.6
265.32983	0.5
269.08304	0.6
270.90344	0.4
277.09329	0.6
279.23306	100.0
280.23636	7.7
287.07611	2.9
305.08737	3.7
323.09894	1.1
347.20047	0.5
363.19836	0.5
379.12381	1.6
379.18317	0.4
389.17612	2.4
391.19403	2.4
397.13525	72.7
398.13968	4.7
405.17120	1.2
407.18613	4.8
409.20251	1.3
415.14587	30.5
416.15002	1.9
423.18210	1.6
425.19693	1.8
677.26959	0.5
677.37122	3.9
678.37207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
58.00586	1.1
59.01384	30.9
60.01702	0.7
61.78815	0.4
71.01388	20.4
71.01781	1.0
71.54627	0.6
72.99308	1.9
73.02951	1.1
83.01398	1.2
85.02959	3.6
87.00841	1.0
89.02449	23.0
89.95682	0.4
95.01398	1.7
96.96014	5.5
101.02452	14.9
102.02769	0.5
107.05061	0.5
109.02952	1.7
112.04046	0.5
112.90556	0.4
113.02462	8.9
114.02747	0.5
115.03989	0.6
116.05026	0.5
117.62044	0.5
118.39574	0.4
119.03516	10.0
123.03271	0.6
123.04531	0.8
131.03598	0.6
133.19043	0.5
135.04524	1.8
136.07664	1.0
137.06068	0.8
138.05618	4.4
143.03529	1.0
149.06104	0.6
151.03986	1.1
152.55080	0.5
153.05583	1.4
161.04549	0.8
175.06223	0.5
179.03476	0.5
179.05644	1.0
182.04507	1.0
184.06142	1.2
191.05756	0.6
203.08290	0.5
207.06703	0.9
221.04602	0.5
293.11563	1.8
311.07886	0.6
323.13483	100.0
324.13828	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	677.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48158	0.6
53.69577	0.5
53.97299	0.6
56.53934	0.5
57.66287	0.5
58.02718	0.7
58.02978	7.7
64.38177	0.6
69.64582	3.8
70.02985	7.4
72.00915	1.4
72.04549	1.2
74.02482	41.2
86.79638	0.6
98.02490	10.0
104.93277	0.6
113.09870	0.6
116.03553	10.9
116.05065	15.5
123.42660	0.5
129.47032	0.6
130.06628	2.0
137.13292	0.6
142.06645	3.6
147.21532	0.6
159.09337	3.6
178.03040	0.6
186.05634	1.2
201.10336	4.2
203.08279	46.1
204.08577	2.3
229.72882	0.6
237.54817	0.7
245.09312	100.0
246.09666	7.0
377.93289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
57.03450	1.6
58.00600	2.3
59.01385	51.8
60.01722	0.6
61.98845	0.4
65.53153	0.3
67.01888	0.5
68.99826	0.4
69.03456	2.8
71.01388	42.3
72.01723	0.7
72.99306	2.7
73.02952	6.8
75.00882	0.8
81.03449	1.7
83.01394	5.4
83.05063	0.5
85.02534	0.2
85.02961	9.6
86.00111	0.7
87.00885	10.1
87.04530	0.5
89.02452	37.8
91.04004	0.5
93.03481	0.4
95.01406	2.5
97.02952	6.9
97.03579	0.4
99.00896	2.5
99.04515	0.6
101.02451	35.2
102.02806	0.4
103.00441	0.5
103.04032	0.7
109.02957	0.6
111.00886	0.5
111.04514	1.1
113.02461	15.5
114.02772	0.4
115.04020	0.7
119.03510	11.5
121.02962	0.7
123.04525	0.3
124.01671	0.7
125.02459	14.5
126.02841	0.3
127.04012	0.4
127.07600	0.4
129.01941	0.3
131.03508	1.7
133.05093	1.4
139.04019	1.3
141.01947	0.7
143.03503	6.2
149.02518	0.4
149.04573	1.2
161.04568	8.0
167.03502	0.8
169.05063	0.5
171.02986	0.4
179.03485	0.4
179.03792	0.4
179.05614	7.4
181.05052	0.4
185.04546	1.0
199.06117	0.5
217.07137	1.1
219.05013	0.5
221.06694	2.6
233.22612	0.3
233.86163	0.3
234.93671	0.3
235.08240	15.8
236.08723	0.6
245.06668	1.0
253.09290	4.3
259.20834	0.3
263.07666	1.9
275.20163	0.5
277.09439	1.5
277.21732	100.0
277.74414	0.3
278.22061	8.7
287.07788	3.4
291.23367	0.4
295.55878	0.3
305.08786	4.5
319.23007	0.4
323.09875	1.5
361.11493	0.7
379.12509	1.0
381.70456	0.3
397.13528	81.4
398.09027	0.5
398.13861	6.1
415.14603	35.2
416.14996	2.5
511.02185	0.3
644.93457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03459	1.4
58.00600	2.4
59.01383	55.9
60.01741	0.5
67.01894	0.4
68.99842	0.7
69.03457	2.5
71.01385	46.3
72.01714	0.9
72.99317	2.8
73.02950	7.3
75.00874	0.7
79.86921	0.3
81.03468	2.1
83.01392	4.4
83.05030	0.4
85.02959	9.9
86.00123	0.5
87.00880	10.8
89.02449	37.2
90.02769	0.4
91.04024	0.9
93.03461	0.4
95.01401	2.9
96.96016	0.9
97.02957	8.7
99.00877	2.9
99.04561	0.9
101.02450	34.0
102.02758	0.4
103.00400	0.3
103.04005	0.4
109.02991	0.6
111.00890	0.9
111.04519	1.2
113.02461	18.0
115.04030	0.6
119.03506	11.0
121.02983	0.9
123.00852	0.4
123.04520	0.5
124.01612	0.6
125.02453	14.6
127.04034	0.6
129.01932	0.3
131.00798	0.3
131.03496	1.7
133.05078	1.2
137.02444	0.5
139.04034	0.8
141.01953	0.9
143.03514	7.4
149.04588	1.2
157.05083	0.5
161.04561	9.2
162.04929	0.4
167.03406	0.6
169.05035	0.6
171.02982	0.5
179.05618	7.5
185.04521	1.3
199.06123	0.9
203.05649	0.5
205.19672	0.3
217.07179	1.2
219.05040	0.7
221.06697	2.8
221.08644	0.5
229.80360	0.4
233.06645	0.3
235.08240	15.8
236.08466	0.5
245.06683	1.1
253.09258	3.8
259.20593	0.5
263.07684	2.1
275.20218	0.4
277.09656	1.4
277.21729	100.0
278.22092	9.0
287.07690	3.0
291.23322	0.7
305.08826	4.0
323.09857	1.5
361.11530	0.7
379.12491	1.3
397.13510	79.9
398.13882	6.3
415.14572	36.1
416.14691	3.1
511.76077	0.4
550.20966	0.4
675.34650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41941	5.7
57.03451	6.9
59.01386	100.0
61.98835	22.3
66.86344	4.7
70.07121	20.3
71.01389	23.3
73.02934	11.9
81.03493	5.6
83.01356	6.8
83.05064	6.3
89.02457	9.4
96.96027	42.5
97.32767	4.9
101.02470	15.6
111.38533	4.7
113.02448	14.2
125.02426	6.0
134.06139	11.0
160.04028	7.9
162.05688	6.4
171.10292	14.8
173.07242	6.1
174.05692	7.2
176.07188	8.9
188.03496	28.1
197.11842	19.6
201.10382	12.4
202.05083	14.6
209.11867	21.5
211.13368	10.4
214.01494	19.7
220.06192	20.5
246.04108	18.8
253.13245	6.7
255.11311	7.3
257.12991	18.6
283.11017	10.3
295.11105	6.4
306.48129	5.7
317.15173	8.2
323.10547	7.5
372.19421	10.8
415.11288	10.2
428.21927	40.4
429.22186	9.1
499.28946	10.1
557.24109	9.4
581.23877	23.5
599.25287	8.1
621.32581	19.7
625.22949	35.5
639.33765	9.2
643.23926	20.9
657.25360	10.6
675.30566	24.5
675.41791	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	675.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
58.02981	6.7
59.01381	2.6
70.02987	5.5
71.01387	1.8
71.54897	0.4
72.00902	1.5
72.04553	1.2
72.99319	0.3
73.02950	0.5
73.24188	0.3
74.02480	38.1
74.19628	0.3
85.02955	0.8
87.00872	0.7
89.02443	0.7
96.96013	3.0
98.02485	7.9
101.02448	1.2
108.02186	3.3
110.71599	0.3
113.02460	1.0
116.02724	0.5
116.03560	10.1
116.05070	15.0
117.05425	0.7
119.03475	0.4
121.02957	1.3
122.02481	0.6
122.76353	0.3
130.06639	1.7
130.74149	0.3
134.03717	0.5
137.02441	0.5
137.06097	0.4
138.01982	39.3
142.06639	3.0
143.03546	0.4
149.02406	0.4
149.06081	0.4
150.06828	0.3
151.02751	1.4
151.07692	0.8
159.09276	2.6
160.04025	0.6
170.72743	0.3
178.94797	0.3
179.07109	0.5
180.03035	2.4
183.09279	0.9
186.05611	1.1
193.05121	0.7
201.10344	2.8
203.08278	37.4
204.08607	1.7
223.06119	1.7
245.09314	100.0
246.09610	5.4
253.07170	1.5
289.08215	0.4
385.11490	1.3
427.19739	0.6
675.22955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96499	0.3
59.01115	0.5
59.01387	5.1
69.88197	1.2
71.01402	0.6
73.02948	0.3
83.05053	0.5
89.02444	0.6
94.02995	2.0
96.96034	2.1
98.02457	0.5
98.20000	0.4
100.66221	0.4
101.02438	0.7
106.06637	0.3
106.46030	0.3
108.04572	1.9
110.02462	0.4
111.04507	0.5
120.04568	1.0
122.06140	10.2
124.04039	1.1
132.04588	0.4
133.04106	0.5
134.03749	0.7
134.06125	1.4
135.06894	0.8
136.04079	3.4
136.07690	9.2
138.05635	2.3
147.05713	0.5
150.04451	0.7
150.05612	9.9
151.05977	0.4
152.07188	3.3
158.06102	0.3
164.07181	0.6
174.05603	0.5
174.09262	0.9
179.27980	0.4
186.04320	0.6
186.09262	2.8
187.09810	0.3
187.11282	0.5
188.07083	0.4
190.05081	0.8
197.08611	0.4
201.06569	2.1
201.10495	0.5
202.07257	1.7
202.09048	0.7
202.12357	2.1
212.10785	0.9
213.06673	0.6
214.07474	1.2
215.08102	2.2
216.08893	0.5
227.08157	0.4
227.11899	0.5
228.10318	3.0
229.09827	14.2
229.13310	0.7
230.12038	8.4
231.11624	0.5
239.08250	0.5
240.09032	1.0
241.09717	0.6
243.11421	0.7
244.08600	0.5
245.09297	5.1
245.12909	0.9
246.11525	0.4
255.11409	4.5
257.09329	6.9
258.10117	2.0
259.10748	0.6
263.10397	0.4
273.12466	22.5
274.12823	1.3
275.07709	0.4
275.10236	1.8
279.11624	0.4
290.13031	0.6
291.13641	0.5
299.05661	0.5
299.10477	0.7
301.11823	0.4
309.12225	0.5
317.11426	17.3
318.11813	1.5
319.13037	1.0
334.11746	1.2
335.12509	100.0
336.08786	0.5
336.12814	9.2
339.13513	1.0
355.12814	0.5
411.14526	1.6
513.27087	1.3
557.24225	0.4
581.23901	0.7
599.24915	1.2
615.25122	0.4
625.22711	0.5
637.38098	0.8
643.24225	2.3
644.24670	0.5
675.26324	3.2
676.26880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13211	0.6
53.73354	0.7
59.01382	9.0
69.13949	0.8
69.29376	0.8
69.29626	1.8
69.30028	4.1
80.05064	7.9
80.05457	0.8
88.39010	0.7
90.80326	0.6
93.03087	0.7
94.03020	2.7
94.06637	2.7
96.04596	1.0
96.95972	1.2
104.05077	3.0
106.06648	2.7
106.51654	0.9
107.03781	5.5
108.04588	3.9
109.86279	0.9
120.04562	1.5
120.08150	1.7
121.05296	0.9
122.02455	1.1
122.06133	30.5
123.03313	0.8
124.04060	4.3
124.07688	1.3
130.06657	0.9
132.04584	1.9
134.06143	6.3
136.04068	6.6
137.04829	1.9
138.05626	5.6
147.05620	3.9
147.09297	0.8
148.04086	2.4
149.04649	0.9
150.05611	11.7
152.07182	46.5
153.07501	2.5
158.02432	1.1
160.04066	0.8
161.03609	1.3
162.05673	1.1
164.07195	1.0
168.06659	1.3
174.05580	3.6
175.05212	2.8
175.84477	0.7
186.05643	1.5
186.12837	0.8
187.08736	0.8
188.23378	0.8
190.05148	3.2
193.05045	1.3
199.08730	0.7
201.10339	14.9
211.08786	1.7
212.11078	0.9
213.10359	8.7
214.07393	0.8
214.10861	1.1
215.11888	0.9
223.08772	1.8
225.10437	0.8
226.11021	0.8
227.08235	0.9
227.11879	5.6
229.09843	23.5
229.13329	7.2
230.10036	1.8
237.10323	2.0
239.11906	9.1
241.09827	1.8
243.11383	1.4
245.12975	10.2
246.13358	1.2
247.10898	3.4
249.10324	1.2
255.11383	7.7
257.12906	5.7
263.08447	1.2
265.09879	2.5
267.11380	2.9
269.13007	1.3
273.12387	7.0
280.12259	1.0
281.12943	1.2
283.10876	0.9
285.12427	1.1
287.10443	1.3
289.11951	6.5
295.10953	4.3
296.11368	1.2
297.12521	0.9
301.11957	19.7
302.12326	1.8
309.12457	3.0
313.08783	1.1
313.11884	5.8
317.11646	1.0
319.12994	81.2
320.13312	7.1
323.10373	8.0
325.12033	2.2
326.12927	1.1
327.13538	3.7
328.14444	0.9
330.12439	1.4
332.14069	1.2
339.09689	0.8
339.13541	1.1
342.12228	1.6
350.15149	1.0
355.13055	6.8
356.13776	1.3
358.11890	1.6
359.12735	1.5
360.13492	1.3
362.15240	1.7
371.12595	1.0
372.13531	1.9
372.17502	1.3
373.14380	1.2
374.15112	10.3
375.15503	1.3
385.79562	0.8
386.11185	1.2
388.16840	1.0
391.15295	4.8
392.16104	12.5
393.16522	2.7
400.13013	2.0
401.13638	0.9
403.15073	1.7
416.16043	5.6
418.13980	2.3
434.17221	4.9
446.16968	2.6
531.26514	1.6
539.23730	3.5
540.23047	1.3
557.24084	19.4
558.24042	3.5
571.24774	1.0
575.25330	1.8
581.24353	5.4
583.22168	2.2
599.25110	79.4
600.25482	17.5
602.23633	4.4
603.24011	1.2
613.23157	1.1
615.24463	1.2
625.23083	2.2
631.27838	1.0
643.24109	100.0
644.24420	21.4
675.26715	30.5
675.38434	1.0
676.27014	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	675.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11188	2.2
59.01386	100.0
60.01722	2.9
71.01389	18.4
73.02953	19.4
80.05066	8.0
83.01400	6.6
83.05022	2.2
85.02953	6.8
89.02454	5.7
91.50114	2.1
94.02994	3.5
94.06631	4.3
96.96014	29.2
99.00864	3.4
100.55131	2.0
101.02461	12.6
104.05072	2.8
106.06624	2.8
107.03777	6.7
107.05040	3.7
110.02432	3.5
111.04541	2.6
113.02440	6.2
119.03538	2.8
120.04547	2.5
120.08212	4.3
122.06130	35.0
124.04063	2.9
125.18894	1.8
132.04601	4.5
133.02969	8.5
134.06142	6.9
135.04478	2.3
136.04059	7.3
137.04849	2.6
138.05603	6.6
147.05602	2.7
148.03999	2.5
149.04611	3.4
150.05650	15.5
152.07181	43.1
157.06599	3.6
158.17990	2.0
160.04021	2.3
161.02475	22.6
161.04666	4.5
174.05588	4.3
175.07573	2.6
176.04785	5.6
186.22017	2.3
190.05045	3.3
201.05566	4.5
201.10368	14.3
209.11925	3.1
210.12263	4.1
212.10921	2.1
213.10298	6.5
215.11833	2.3
225.10266	3.0
227.11951	5.7
229.09834	18.0
229.13496	6.0
237.10326	3.6
239.11899	9.1
241.09798	2.5
243.11414	2.5
245.12967	10.2
247.11002	2.9
255.11371	7.5
257.12961	5.7
265.09763	2.8
267.11346	2.2
273.12473	7.3
283.10864	8.3
289.11871	3.6
295.10883	5.1
301.11835	17.8
309.12344	3.0
313.12061	3.6
319.13016	75.8
320.13364	5.5
323.10367	9.1
325.11841	3.4
330.12625	2.4
332.13995	2.8
335.12604	5.1
344.13980	2.7
355.12952	7.2
359.13031	3.2
363.08746	13.3
374.15045	7.4
378.11038	6.7
388.16772	3.3
392.16080	10.2
393.13480	57.2
394.13760	6.8
411.14795	3.4
416.16037	9.1
429.24094	2.3
434.16959	4.3
513.26996	6.6
517.64429	2.1
531.26099	2.5
539.23022	6.6
555.18933	4.7
557.24017	13.1
558.24115	3.3
573.19531	5.8
581.23883	9.1
583.22058	5.7
599.25092	67.6
600.25891	11.7
615.20795	99.5
616.21069	20.9
625.22986	6.4
631.28784	3.8
643.24054	87.0
644.24823	17.7
644.34729	3.5
657.24969	3.0
675.26398	43.4
675.36530	3.7
676.27399	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	675.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58892	1.9
59.01385	31.1
61.98826	7.9
67.64629	1.8
71.01384	7.3
71.55120	2.2
75.00867	4.1
83.01399	2.1
85.02943	2.6
85.06583	3.5
89.02457	3.8
96.96037	19.6
98.95593	1.9
101.02463	5.9
113.02437	4.0
116.45911	2.1
122.06117	4.6
125.02461	2.5
134.06129	2.5
137.02362	3.3
138.25323	1.6
145.29387	1.7
146.06105	2.6
147.03305	2.8
148.07684	16.3
150.05562	4.6
151.04002	2.1
152.07156	2.3
160.01662	1.9
160.04057	5.5
161.04851	9.2
162.05624	6.8
163.03896	2.1
165.01816	2.3
173.07216	25.9
174.07593	1.9
179.76352	1.7
188.03658	3.2
189.04254	2.9
190.05077	10.2
199.46970	1.9
203.11891	3.9
209.11809	6.3
211.08609	2.0
211.13409	6.3
215.02254	3.0
216.02989	3.0
220.06113	2.4
225.10130	2.6
229.13527	9.9
237.57222	2.0
240.08856	2.3
241.09785	3.4
246.04100	2.7
252.08965	3.3
253.09776	4.3
254.10600	4.4
255.07904	4.0
255.11359	7.8
257.09375	2.3
257.12927	3.2
265.09842	3.7
267.07434	2.3
267.11365	7.2
269.09271	4.2
269.12894	5.4
279.07404	2.7
280.08493	7.3
283.07407	3.0
283.10715	3.1
285.12518	5.3
293.09427	3.9
295.10876	11.6
311.10361	9.7
312.06314	2.9
313.11981	6.9
321.08780	8.2
327.08832	2.8
328.13263	2.0
339.09821	7.0
345.15005	2.5
353.11401	3.5
365.07840	2.8
365.96780	2.2
371.12509	11.2
389.13483	12.8
397.10202	3.0
415.11453	45.3
416.11874	5.4
432.14322	2.3
563.22778	4.4
595.25232	3.6
625.23035	3.5
639.24402	25.0
640.24872	6.0
643.24353	4.7
657.25354	20.9
658.25439	5.2
675.26709	100.0
675.36572	5.3
676.26807	23.6
676.37152	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	675.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	18.9
66.91806	2.1
69.34290	9.1
69.34706	7.0
71.01379	13.7
73.02955	3.6
73.68932	1.7
79.85806	2.1
80.05056	14.0
80.88638	2.0
82.69614	2.2
85.02953	6.7
87.00871	2.4
89.02447	7.5
90.05868	2.2
94.02977	2.3
94.06608	3.9
94.27721	2.5
96.96013	19.8
98.20700	5.0
99.00861	2.5
101.02440	3.0
104.05096	4.1
106.06637	3.1
107.03780	6.7
108.04568	3.9
113.02476	10.2
122.06137	49.9
124.04015	4.0
134.06119	9.8
136.04031	10.0
138.05667	10.3
143.20924	2.2
147.05649	3.1
148.04070	3.7
148.81593	2.0
150.05629	18.9
151.06033	2.5
152.07195	65.0
153.07515	3.3
160.04074	4.4
160.48709	2.1
166.37227	2.2
168.06738	2.8
174.05649	5.9
175.05211	2.5
177.85269	2.2
201.10326	17.6
203.05959	2.0
208.67233	2.3
211.08766	3.4
213.10379	11.1
227.11928	8.1
229.09828	19.1
229.13461	8.8
237.10367	4.0
239.11932	7.4
241.09723	3.8
245.12892	10.3
247.10950	2.6
255.11398	9.0
257.12973	7.5
265.09933	2.3
267.11404	3.3
273.12491	9.8
281.08777	8.5
289.12079	8.9
295.10773	3.2
301.11862	19.4
302.12427	2.6
309.12311	2.7
313.12085	10.5
316.11234	2.2
319.13016	88.7
320.13300	7.5
323.10388	8.0
325.12106	3.4
327.13516	3.8
330.12387	4.0
344.74905	2.6
355.12897	8.6
356.13358	2.4
360.13391	2.9
362.15088	2.6
372.13287	4.7
373.13998	2.8
374.15073	18.6
375.15646	2.7
377.58511	2.3
386.15369	3.0
387.11227	2.3
391.15244	6.8
392.16211	17.4
393.16791	3.1
400.12885	2.3
416.16101	9.5
434.11316	2.3
434.17264	7.3
446.17050	3.1
462.20639	2.7
475.53702	2.4
495.22385	4.7
520.17395	4.3
531.26184	4.5
535.30219	2.4
539.23059	3.1
543.21704	2.7
557.24121	33.6
558.24579	6.9
575.23773	3.2
581.24103	7.8
582.23749	2.7
599.25134	77.3
600.25659	11.0
601.23187	3.5
602.23956	13.5
610.84125	2.3
643.24078	100.0
644.24353	18.3
675.26794	69.6
676.26923	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	675.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65572	0.8
59.01385	68.0
62.35627	0.6
70.51540	1.8
70.51924	1.7
71.01395	11.7
73.02950	14.5
79.54362	0.8
80.05051	0.7
83.01400	2.6
85.02975	2.4
89.02467	3.2
91.63015	0.8
96.96021	5.7
97.68440	0.8
101.02448	10.3
107.05054	0.9
111.04552	1.1
113.02441	2.7
119.03499	0.8
122.06139	2.1
125.02499	0.8
125.73666	0.8
128.90196	1.6
133.02980	3.7
134.06119	0.9
150.05681	1.6
152.07190	3.5
157.06609	2.5
157.74020	0.8
161.02466	21.3
174.06898	2.1
175.07629	3.3
176.04781	5.4
187.03992	0.9
201.05583	6.0
201.10236	0.9
202.06401	2.0
209.11835	2.8
210.12143	1.9
224.09526	1.0
229.09818	1.2
239.12021	1.1
273.12570	1.0
283.10907	2.8
301.11963	2.3
307.09595	1.3
309.08664	1.2
319.09747	1.7
319.13040	3.3
335.09375	1.8
353.10428	1.4
363.08807	13.4
377.10446	1.7
378.10941	5.9
381.09769	1.1
393.13443	47.8
394.13727	4.8
400.40469	0.9
411.14380	2.9
416.16174	1.0
443.34085	0.8
513.27191	3.9
539.22858	0.8
555.18433	3.8
557.24402	1.7
573.20038	4.0
581.23547	1.3
599.25067	4.9
615.20868	100.0
616.21179	16.3
625.23047	1.3
631.29132	3.1
643.23987	7.9
644.24005	1.6
657.25543	1.3
675.26215	4.0
702.44617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64427	0.1
51.76132	0.2
55.01888	0.2
59.01384	3.9
61.98822	0.3
69.48593	0.8
69.49016	0.4
71.01389	2.0
72.99321	0.3
73.02953	0.8
75.00897	0.2
82.91817	0.1
82.95432	0.7
83.01391	0.4
83.05040	0.3
85.02946	0.9
89.02453	0.7
89.03973	1.9
93.21776	0.1
96.95993	1.1
97.02959	0.2
98.20646	0.4
99.00899	0.6
101.02449	0.9
106.04256	0.5
107.05055	0.2
108.02180	0.2
113.02487	1.4
117.03471	5.5
121.02983	0.5
122.06107	0.3
125.02414	0.4
132.02180	3.4
133.02930	0.2
134.03751	83.6
135.04057	3.1
136.07704	0.4
137.02451	0.7
139.04037	0.3
143.03429	0.2
147.04581	0.3
148.05310	11.6
149.06100	6.6
152.07176	0.5
153.01981	0.2
160.01672	9.6
161.01968	0.4
161.04530	0.4
163.07660	8.2
163.11296	0.2
164.07977	0.4
175.04015	11.5
176.04376	0.3
178.02724	1.7
193.05063	100.0
194.05396	4.5
209.11833	3.8
210.12202	2.5
211.12378	0.7
227.12840	0.4
228.13353	0.3
229.13414	0.3
253.09323	0.3
264.08865	0.2
279.11420	0.4
283.02515	0.3
319.12909	0.8
366.07523	1.1
367.08179	0.3
439.16107	1.2
457.17337	0.3
481.17303	0.3
499.18323	1.4
518.19238	0.2
557.24310	0.2
596.35968	0.2
599.25116	0.7
615.39026	0.4
625.23102	0.3
633.21796	0.3
643.23529	0.8
675.19196	1.3
675.41565	1.8
676.20276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.9936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	54.5
60.01720	0.4
86.91766	0.3
90.97141	1.1
98.19872	0.6
118.96620	0.5
126.75853	0.3
132.98224	2.0
157.03569	0.7
174.99257	27.7
175.99629	0.5
192.95877	1.4
201.02579	3.8
217.00311	100.0
218.00670	2.9
359.01501	9.2
360.01785	0.8
374.99228	66.6
375.99603	3.0
479.41522	0.3
517.00415	1.6
532.98145	13.7
533.98407	0.9
616.45239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.1
59.01386	27.4
60.01729	1.4
61.98840	3.8
63.66999	1.0
64.54237	1.1
65.24171	1.0
69.06927	0.9
71.01392	11.2
73.02950	3.8
80.36794	1.0
81.03441	1.4
83.01399	1.8
83.05013	2.2
85.02968	3.2
87.00896	2.7
89.02463	3.3
95.32258	1.0
96.96032	8.2
97.03001	1.8
98.19843	2.2
99.00892	1.8
101.02477	5.3
113.02458	4.0
114.81327	1.0
122.06151	2.2
124.01718	1.1
125.02473	2.1
141.01816	1.2
145.09840	26.5
150.06819	1.9
152.07222	3.5
161.04616	1.8
163.11252	2.0
171.10304	1.6
199.13322	2.7
207.10219	2.7
209.11868	22.3
210.12135	3.0
227.12943	8.9
253.09241	2.3
265.39429	1.1
271.02466	3.6
285.03949	1.6
299.02023	9.0
300.02600	3.9
356.47815	1.0
425.33765	11.0
426.34134	2.2
462.07928	4.4
463.21472	1.4
503.16071	1.2
504.16861	2.8
565.23376	1.4
569.37946	6.2
587.39288	21.2
588.39429	2.1
613.37939	1.4
629.40228	100.0
630.40503	16.1
631.72314	1.2
641.24365	3.7
655.22668	1.4
655.32892	1.7
673.40161	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	673.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07064	0.2
57.03461	0.5
59.01386	6.6
61.98833	0.6
70.08862	0.6
70.09251	0.5
71.01391	2.6
72.99328	0.3
73.02943	0.9
78.30042	0.2
80.02692	0.9
80.04494	0.3
80.91679	0.7
81.03465	1.3
83.01392	0.9
83.05029	4.2
84.02175	0.6
85.02969	1.2
87.00883	0.5
89.02425	1.5
93.03439	0.3
94.52278	0.2
95.05051	0.8
96.96021	0.9
97.06559	0.3
99.00884	0.5
101.02463	2.6
109.06578	0.5
113.02493	1.6
119.03528	0.7
124.78232	0.3
125.02490	0.3
125.06120	0.4
135.08173	0.5
135.22006	0.3
141.01680	1.1
143.03552	0.3
143.88751	0.2
147.11815	0.3
149.04533	0.4
150.06859	0.4
151.07393	0.2
161.04549	1.1
163.11287	3.3
165.12854	2.0
171.10277	1.9
172.01515	0.3
179.05740	0.3
181.12358	0.4
183.23946	0.2
191.10811	0.8
195.86118	0.2
209.11839	100.0
210.12173	5.9
221.11874	0.6
227.12909	12.9
228.13235	0.8
235.08247	1.7
247.13371	0.8
253.09291	5.5
257.12872	0.3
265.14401	0.4
297.07831	0.3
401.23547	0.5
408.86264	0.2
419.24472	0.5
445.20941	0.3
487.32687	2.2
488.33295	0.4
505.33801	0.6
509.30371	0.5
547.34833	0.3
561.18420	0.3
637.32599	0.8
641.22815	0.3
655.33124	0.3
673.24445	0.4
673.40442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05404	0.5
57.45811	0.5
60.02390	0.6
61.98833	3.4
70.60549	0.7
70.60891	1.0
73.48901	0.5
75.35453	0.4
80.38507	0.6
84.08367	0.5
96.62773	0.5
97.28867	0.5
98.20576	0.6
154.31065	0.5
157.06610	0.8
159.08148	1.4
205.03140	1.7
217.03181	0.7
217.08736	0.8
237.12865	4.9
247.11174	0.7
261.09482	1.1
263.14432	3.3
275.10992	2.0
307.07986	0.8
307.13394	11.2
308.13708	1.9
325.14572	0.8
328.07599	0.6
336.01358	0.6
350.14609	0.8
351.14093	15.6
352.14523	1.3
365.15668	4.5
469.11447	0.7
481.10861	0.6
513.16895	0.8
527.19171	2.5
539.18823	0.9
551.22870	1.0
567.21710	1.6
598.59900	0.6
603.22089	3.2
615.21960	5.0
616.21826	0.9
673.29889	100.0
674.30151	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
56.66153	1.1
57.03449	1.4
58.00602	1.5
58.70651	1.0
59.01387	65.6
61.98838	3.5
64.03781	0.9
69.03459	1.5
69.50996	3.7
69.51427	3.2
71.01389	40.8
71.05039	1.1
72.99323	1.8
73.02955	42.1
75.00880	2.1
83.01395	11.0
83.05028	1.6
85.02966	6.1
87.00887	3.3
89.02466	9.5
93.70535	1.0
95.01404	1.9
96.96033	10.0
97.02985	1.4
98.20708	2.1
99.00909	1.7
101.01802	2.1
101.02451	38.1
113.02457	10.1
119.03487	4.1
125.02462	3.6
125.77773	1.1
131.03487	3.2
143.03481	1.8
149.04578	3.0
151.00362	1.1
151.73488	1.0
161.04585	5.7
165.12784	1.5
171.10210	1.1
178.59007	0.9
181.12375	1.2
183.13959	1.6
209.11819	16.3
211.13446	2.1
221.06471	1.1
227.12854	3.9
239.03432	1.1
253.09120	1.5
271.02469	1.2
275.20187	27.8
276.20627	2.9
293.21243	9.0
299.02060	2.7
300.02844	1.2
323.12692	1.3
409.13071	1.5
437.25513	2.3
455.26474	6.9
456.26950	1.5
458.50381	1.1
497.27603	100.0
498.27869	14.1
527.86304	1.2
629.31769	15.9
630.32135	2.7
673.24432	2.0
673.34613	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	673.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44971	0.3
59.01396	0.3
61.98819	0.5
62.58009	0.2
70.77448	0.6
78.80587	0.2
96.96040	0.5
107.05042	4.5
109.06604	4.3
119.00697	0.3
131.08675	0.3
134.03693	0.2
135.04538	12.8
136.04797	0.4
157.06581	1.1
159.08168	1.4
162.83618	0.2
169.10252	0.4
171.08153	0.5
172.08888	0.7
173.02420	0.4
182.07370	0.3
187.07628	0.7
190.09947	1.6
195.08072	0.6
211.07584	0.5
212.08426	0.4
213.09177	1.2
225.09207	5.5
226.09988	5.4
227.10393	0.6
237.09158	0.6
237.12869	5.4
237.16545	0.4
238.09891	0.3
238.13206	0.8
247.11275	0.5
248.12097	0.3
263.14423	3.5
264.14682	0.3
279.14063	0.4
281.15488	24.8
282.15854	2.2
285.04047	1.1
286.04501	0.4
307.13412	28.5
308.13718	2.9
325.14468	100.0
326.14801	9.4
326.20740	0.3
629.27533	0.3
673.27716	6.0
674.28729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.2
60.48731	0.5
61.98832	0.8
63.96440	0.5
69.46901	3.8
71.01400	1.8
73.02923	0.6
80.05064	9.1
85.02953	1.1
87.00919	0.6
89.02449	0.7
90.12368	0.5
90.71087	0.5
92.05087	0.7
94.06630	4.7
96.96016	5.9
101.02457	1.3
104.05079	3.9
106.06632	5.8
107.03788	7.4
108.04624	1.1
113.02483	0.9
118.06667	0.6
120.04595	2.3
120.08199	1.2
121.05334	2.2
122.06134	56.1
123.06483	1.7
124.07690	1.5
125.02483	0.6
130.06624	1.2
132.04562	2.6
134.06136	14.9
136.07664	2.0
139.02750	2.3
145.05324	0.7
146.06110	2.9
147.03221	0.9
148.04036	3.4
149.04675	0.5
150.05638	1.8
152.07187	74.0
153.07521	1.8
155.39635	0.5
158.06082	0.8
160.04085	2.5
160.06453	3.4
160.07613	0.9
161.04802	1.0
162.05592	1.4
163.11284	0.7
164.07106	1.0
170.06003	0.6
173.04750	0.8
174.05585	4.1
180.06667	2.8
186.05658	0.7
188.07210	7.2
190.05109	2.6
198.12846	0.6
199.13446	0.7
209.11861	8.6
210.08015	0.7
210.11989	0.8
211.08803	3.4
213.10362	14.5
214.10632	0.8
214.12531	0.5
221.07245	0.6
223.08768	2.3
223.12411	0.8
224.09576	1.1
225.10326	5.4
226.11064	3.0
227.13179	4.7
235.08681	1.8
236.09569	1.2
237.06755	0.8
237.10291	3.8
238.07454	1.0
239.08165	1.4
239.11900	14.1
240.12335	0.8
241.13454	9.0
245.12962	9.7
247.08879	0.7
249.06595	1.2
249.10381	1.5
250.07426	3.7
251.08293	3.2
251.11882	3.9
252.08995	2.7
253.09802	7.2
254.10500	0.6
256.81918	0.6
257.12915	0.8
259.11179	0.6
261.10297	0.7
263.08203	1.5
263.11475	0.5
264.08972	1.9
265.09848	8.2
266.10532	1.7
267.11411	5.4
269.12918	1.1
277.06369	0.8
277.09805	3.2
278.06989	5.0
278.10596	3.5
279.07770	6.4
279.11353	3.5
280.08276	1.4
280.11816	0.5
281.09247	0.6
283.10950	1.7
285.12473	28.2
286.12784	1.9
290.10571	0.5
291.07822	1.4
291.11108	0.9
292.08566	1.8
293.06070	1.2
293.09348	19.0
293.12976	9.5
294.10080	7.3
294.13184	0.9
295.10886	20.8
296.11255	2.0
299.01999	0.7
301.12177	0.8
305.09464	0.9
306.10056	1.8
307.10922	7.7
308.11313	1.0
309.12418	1.9
311.06619	0.5
311.10272	1.0
313.11899	4.3
314.12592	0.8
316.14694	1.1
321.09067	0.6
321.12469	0.7
323.10364	7.6
324.10678	1.1
325.11957	2.8
326.12723	0.9
328.10986	1.2
328.14441	0.7
330.16180	0.6
332.17703	1.4
337.08313	11.9
338.08875	1.7
339.09857	3.4
339.13574	1.0
340.10690	0.7
340.14471	1.6
341.11411	0.6
342.12335	1.9
343.13181	1.8
344.14011	1.3
351.09833	1.6
355.13007	2.6
356.13837	0.8
356.17923	1.2
357.14832	1.4
358.15683	10.4
359.16211	1.2
369.14908	0.9
370.11987	2.1
372.17166	1.3
376.16321	0.5
382.15701	0.6
384.13385	2.8
385.14157	1.4
389.17471	0.7
391.18924	0.5
396.13916	0.6
398.15115	1.2
399.15903	1.0
400.16708	12.4
401.16992	2.1
404.16174	0.8
412.16714	4.5
414.18277	0.6
417.16901	2.6
418.17572	1.4
419.18570	0.8
430.13849	1.1
431.18814	1.1
432.19238	3.2
440.16083	2.0
442.17807	1.4
444.15594	2.1
446.20926	0.6
458.17142	2.5
459.17966	5.2
460.18777	9.6
461.19666	1.2
462.16556	2.0
463.17239	1.0
468.15631	1.1
473.15707	0.7
474.20450	7.6
476.18271	3.7
477.19119	0.6
478.20108	0.7
486.16489	2.2
497.25702	1.6
503.16870	3.6
504.17810	19.9
505.18097	3.0
508.20984	0.7
509.22009	0.8
518.19391	20.6
519.19678	4.0
521.26147	0.8
523.23822	4.3
524.23749	1.0
535.19391	0.8
536.20477	4.3
537.25739	0.8
547.23596	0.7
550.22015	17.1
551.22534	2.9
565.24579	68.7
566.24915	12.8
568.23260	1.0
597.27393	9.2
598.27338	1.7
609.23547	31.5
610.23895	7.1
621.88672	0.5
629.26190	1.5
641.26196	100.0
642.26563	21.9
673.28955	20.9
673.39832	1.1
674.28967	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	673.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91865	1.2
71.01401	1.2
72.92006	1.1
96.96021	1.7
109.02934	2.0
119.05085	1.2
121.02949	3.7
133.02963	11.0
149.02402	1.2
152.65739	1.0
163.00385	2.4
163.04022	3.8
174.03252	1.3
175.04015	3.5
191.03531	1.4
193.01398	2.0
199.03934	1.3
213.05539	1.4
242.16588	1.1
253.05225	1.2
284.03241	10.0
285.03992	9.2
297.04114	14.1
298.04868	9.6
299.05643	17.7
300.05817	1.4
309.03934	1.1
311.05508	2.0
327.05121	100.0
328.05396	10.0
339.05206	2.9
357.06152	27.1
358.06531	3.1
369.05960	2.1
447.09357	92.1
448.09720	13.9
688.88977	1.3
691.87103	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12523	0.6
59.01385	4.5
64.30421	0.7
69.52759	2.9
69.53168	1.1
71.01394	1.8
79.95699	0.7
80.05084	0.7
83.05016	0.8
89.02456	1.2
91.67031	0.6
94.06643	5.5
96.96024	10.7
97.56607	0.7
98.20724	1.1
98.95593	4.6
98.96461	1.5
101.02472	1.1
106.06611	1.5
107.03787	20.2
108.04578	2.1
109.79381	0.6
113.02457	1.1
115.92141	0.6
120.04553	2.8
121.05339	1.5
122.02497	1.7
122.06135	82.9
123.03288	1.5
123.06491	2.3
124.04076	3.5
124.07642	1.4
134.06151	8.8
135.08244	0.8
136.04057	4.9
139.02773	6.0
149.04628	1.1
150.05611	3.3
152.07182	100.0
153.07510	3.0
168.06683	1.4
174.88490	0.7
176.51924	0.6
178.99870	1.5
209.11847	13.8
210.12076	0.9
227.12857	0.8
235.08887	1.1
237.10364	0.8
249.10307	1.4
253.09381	1.0
262.07477	0.9
263.08328	1.3
264.09076	1.3
265.09766	1.0
275.08218	1.0
276.09033	0.9
277.09793	3.5
278.10532	2.1
279.11340	1.5
289.09845	1.2
291.11337	1.0
305.09235	1.3
317.11447	2.9
327.10944	0.7
328.11169	1.1
330.12650	1.0
336.94684	0.7
340.10913	1.6
341.08087	1.4
341.12402	0.9
342.08569	1.3
342.12485	1.9
344.10141	1.0
344.14075	1.6
353.11884	0.7
355.09708	0.9
356.10391	1.9
356.14215	1.7
357.11096	0.9
358.11984	2.7
359.12491	0.8
360.13193	0.7
368.14380	0.8
370.11948	2.2
371.12772	1.3
372.13635	4.0
374.15222	0.8
382.11954	1.6
383.13089	0.9
384.13608	2.8
385.14334	1.9
386.10751	4.3
386.15851	4.3
387.11661	1.0
390.14758	1.3
398.11478	1.8
399.12180	3.0
400.12961	2.5
401.13907	2.2
402.14536	3.4
404.16241	7.3
406.17749	1.3
411.12418	1.3
414.14493	7.0
415.14600	1.1
417.13361	5.6
426.14639	3.0
427.14661	1.2
430.14136	1.9
432.15634	30.5
433.15918	3.1
443.18063	0.8
444.15695	11.3
445.16211	2.2
463.17886	1.5
464.18298	5.8
523.19574	0.9
537.21698	1.2
551.21014	0.8
553.24573	2.9
554.24231	0.9
555.22687	1.5
556.22955	2.1
569.24329	6.3
570.24188	2.1
579.22876	1.0
597.23578	93.3
598.23853	16.1
629.26190	49.3
630.26495	9.4
641.22577	48.4
642.22943	9.4
673.25177	51.3
673.34625	1.5
674.25452	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	671.4018
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03465	1.2
59.01383	21.0
61.98838	3.9
71.01403	9.5
71.55247	2.0
73.02970	2.6
81.03450	2.2
83.01414	2.0
83.05054	4.7
85.02985	3.4
87.00896	1.9
88.98823	1.3
89.02486	3.9
93.03547	1.1
95.05049	1.2
96.96016	14.9
97.02991	4.0
97.06607	1.5
97.72693	1.1
99.00896	1.8
99.04562	2.2
101.02462	7.9
107.03837	1.2
109.06596	12.9
111.04573	2.8
113.02477	4.2
113.20977	1.3
119.03542	2.3
121.06623	2.6
122.06119	6.6
123.08165	1.3
125.02479	2.8
125.09708	2.1
127.03989	1.2
134.03711	1.4
134.06187	1.5
135.08191	3.0
136.05347	1.7
149.06157	2.6
150.06877	38.4
150.08041	2.1
151.07571	2.3
152.04881	1.6
152.07181	9.3
161.04614	1.2
161.09779	1.4
162.06924	2.0
163.04034	1.4
163.07674	8.0
163.11282	11.0
164.08417	5.4
165.05661	1.7
167.07132	6.7
171.10339	2.5
176.08461	1.6
178.09993	2.7
179.10797	9.7
181.12410	3.4
185.11960	2.0
189.09225	2.0
191.10829	1.7
207.10266	38.8
208.10609	2.3
209.11848	61.9
210.12210	2.6
223.13393	1.2
225.11366	20.6
227.12878	7.8
235.08461	2.6
253.09282	8.9
265.09824	1.4
265.14651	1.4
277.09662	1.2
284.03375	1.3
293.09384	5.7
305.09390	1.5
329.23471	2.8
398.15100	1.4
399.22034	4.1
417.23010	3.2
439.81268	1.4
443.19431	2.1
448.32050	7.4
449.32449	1.9
451.07166	1.8
458.17551	3.1
461.20178	6.7
462.34238	1.8
463.34320	13.0
464.35272	1.3
491.34079	2.5
502.16019	8.3
503.16891	2.3
509.34827	17.9
510.35590	2.5
517.18628	3.0
534.18964	3.0
563.23590	3.0
611.38495	3.4
629.39484	3.4
635.30731	7.4
639.24969	8.1
653.31702	8.8
654.32635	1.4
671.40729	100.0
672.40979	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	671.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
61.98833	4.7
69.62828	5.7
71.01376	1.4
85.01020	5.8
85.02950	1.9
93.65955	0.9
96.96007	2.2
113.00508	2.6
113.02467	1.4
121.84920	1.0
127.02121	2.0
136.49156	1.0
137.49806	0.8
139.04008	1.4
143.05173	3.1
175.07729	1.1
198.32240	0.9
225.09233	25.9
226.09579	2.4
237.09195	7.8
239.10736	1.0
269.08215	1.3
275.33990	1.1
281.08173	2.1
295.17059	49.9
296.17361	7.1
339.16019	44.8
340.16336	6.7
349.13107	1.8
435.16388	2.7
658.39893	1.2
671.28888	100.0
672.29401	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	671.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59652	0.4
59.01385	6.2
61.98835	0.6
69.19752	4.2
71.01389	1.7
73.02937	0.7
75.20469	0.4
81.03471	0.5
83.01397	0.5
83.05048	0.5
85.03001	0.4
89.02448	0.7
96.96012	3.6
97.02962	0.5
98.19901	0.6
101.02467	1.2
109.06602	0.9
110.19960	0.4
113.02443	1.0
121.03004	0.5
122.06114	1.2
132.04581	0.6
134.06133	0.6
149.02431	0.6
152.07173	3.1
153.02150	0.4
159.05646	0.5
163.11314	0.7
164.04857	0.4
165.12758	0.4
190.05106	2.4
198.09294	2.2
199.13474	0.5
202.08635	0.5
207.10248	2.0
209.11835	4.0
212.06079	0.5
223.06161	1.9
225.11304	2.9
226.07495	1.5
227.12849	2.2
228.09082	3.1
239.11922	10.6
240.12265	0.8
241.09846	68.9
242.10219	4.1
243.11339	1.5
253.09311	0.4
255.11455	1.5
256.12189	38.7
257.12479	3.3
300.11197	9.5
315.13522	100.0
316.13834	6.9
330.16006	0.9
355.12982	6.5
356.13632	1.6
461.20554	0.6
560.70929	0.5
563.23004	1.3
588.18188	0.4
595.25861	3.0
596.26611	0.5
629.36707	0.4
653.32233	1.3
671.32922	1.6
671.41632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50339	1.8
59.01382	24.4
61.98822	3.3
68.13586	1.8
70.01646	7.0
70.02055	4.0
71.01391	12.7
72.99283	2.9
73.02946	4.7
83.05051	4.9
85.02943	5.6
85.06560	2.7
87.00871	2.3
89.02450	5.4
94.06623	3.9
96.96031	8.8
97.02940	2.6
98.20571	2.2
99.00876	2.1
101.02444	7.2
106.06596	3.5
107.03788	14.7
109.06577	7.7
113.02431	2.5
120.04534	2.2
122.06141	68.2
123.06451	1.6
124.07809	1.7
125.02466	3.3
134.06131	7.3
135.08183	2.6
139.02766	6.3
150.05646	3.8
150.06862	14.9
151.07645	2.0
152.07185	98.4
163.07648	6.0
163.11314	7.8
164.08395	3.5
171.10184	2.5
177.09215	2.7
179.10753	5.6
181.12349	2.5
199.13405	2.2
207.10277	20.4
209.11852	42.6
210.12222	1.9
225.11411	18.7
227.12956	8.2
235.08528	3.6
237.10315	6.8
249.10341	4.4
250.07541	10.7
251.08246	2.6
253.09412	4.1
263.08221	6.7
265.09872	22.4
266.10190	3.3
267.11551	3.2
276.09061	3.2
277.09802	13.0
278.06964	15.3
291.07739	6.1
292.08173	2.2
293.09341	77.1
294.09586	5.0
305.09357	26.9
306.09848	2.7
325.12018	2.4
325.60931	1.9
337.08295	4.9
354.12335	2.0
370.15616	3.0
383.12863	3.7
390.17892	2.0
398.14981	14.5
399.15430	2.8
410.15247	3.7
428.16205	4.3
429.16754	4.4
430.17963	11.8
431.18045	2.5
448.32083	4.0
458.17267	32.5
459.17581	6.6
461.20462	3.4
463.34250	5.8
472.19244	4.5
484.15143	3.0
490.19797	9.8
501.16058	1.9
502.16235	87.6
503.16486	10.9
504.21225	5.8
505.22162	3.9
509.34860	6.1
516.17896	2.1
517.18622	33.2
518.18988	5.8
534.18866	23.9
535.19122	4.0
548.20099	2.8
549.21332	10.5
550.21808	2.9
554.81323	1.9
563.22888	28.3
564.23328	4.4
595.25464	12.1
596.26074	3.0
607.22455	11.3
608.21875	2.2
611.37164	1.9
627.27576	4.4
635.30743	5.1
639.24658	100.0
640.24976	18.2
653.31433	5.0
671.27734	15.2
671.40015	45.1
672.26917	3.6
672.40692	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	671.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88278	4.5
52.30212	4.5
61.98835	27.5
73.40044	4.9
77.55148	4.4
77.55658	4.3
121.70525	4.4
267.49109	5.3
269.82785	4.7
349.41660	5.1
498.29221	4.5
671.26819	100.0
672.28943	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87172	0.7
53.97694	0.8
55.01889	1.0
55.17294	0.8
57.03446	2.0
59.01114	1.1
59.01386	18.6
61.98801	0.9
69.03445	1.0
69.27029	7.2
71.01394	6.6
71.05035	0.8
72.99298	1.9
73.02936	3.0
75.00863	1.1
83.01355	0.9
85.02980	4.7
87.00889	1.3
89.02446	2.9
95.01377	1.3
96.96005	4.3
97.02912	0.8
99.00877	2.0
99.04464	0.9
101.02473	4.3
108.02184	52.0
109.02984	11.8
111.00880	1.2
113.02467	3.9
119.03510	1.1
119.04978	0.7
119.08649	0.9
121.02922	1.8
125.02453	1.4
133.02840	0.8
135.04517	2.5
137.02438	1.1
137.09706	2.5
149.04591	1.6
149.05992	1.0
151.04010	1.3
152.01163	94.0
153.01932	6.9
163.04037	4.8
163.07639	1.1
165.05576	1.1
175.03957	1.1
177.01959	1.0
179.03481	2.1
181.02264	0.8
181.08682	2.8
197.11816	2.8
207.02856	1.1
215.12941	0.9
229.32266	0.8
241.10858	2.1
285.04013	0.8
315.07126	2.0
396.98999	0.8
429.10400	10.2
430.10773	1.1
447.11545	7.0
509.14584	1.0
537.32776	2.1
539.33527	0.9
553.31860	1.0
609.21368	0.9
611.19928	2.2
627.22803	4.3
653.20844	1.6
671.21899	100.0
672.22449	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	669.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.5
55.47379	0.4
57.03458	2.8
58.00591	1.1
58.34510	0.6
59.01386	22.4
61.98834	1.6
67.37523	0.5
70.92635	1.3
71.01388	24.7
72.99310	1.7
73.02958	10.7
75.00885	1.1
79.48706	0.4
83.01400	5.8
85.02965	14.5
86.00085	0.6
86.03316	0.6
87.00881	2.8
88.98834	0.8
89.02454	6.7
89.41164	0.5
95.01408	3.0
95.05042	0.5
96.96005	3.7
97.02956	0.8
99.00904	3.1
99.04535	0.7
100.43896	0.4
101.02451	20.4
111.00882	5.2
113.02459	9.5
119.03533	2.2
121.02900	0.5
125.02490	1.4
129.01945	1.1
131.03546	0.5
134.61211	0.6
135.04561	0.7
137.02472	0.7
141.01936	0.9
151.04031	0.6
159.03035	2.0
160.01608	0.5
161.02515	0.6
161.04619	2.2
164.04842	0.5
179.05577	0.6
293.17877	0.5
297.04160	0.8
299.25943	1.1
311.07761	0.8
311.26389	0.5
341.27026	0.6
345.30136	2.3
359.27979	3.4
493.29639	0.9
507.35413	10.1
508.35754	1.2
521.33344	7.6
521.40613	0.8
522.33789	1.0
537.33093	1.0
669.40759	100.0
670.41089	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	669.3864
Annotation	Fungichromin
Peak:m/z	Relative Intensity
52.68160	0.6
57.03445	1.9
59.01390	10.1
61.98829	2.6
69.66548	3.8
71.01392	5.3
72.99332	0.7
73.02957	2.7
75.00890	0.7
83.01385	2.7
83.05017	0.9
85.02964	4.7
86.00084	0.8
87.00874	1.4
88.98837	0.8
89.02474	1.1
96.96015	2.8
99.00875	1.3
99.04492	0.9
101.02451	6.8
109.06585	0.8
111.00877	1.2
111.04515	0.9
111.32491	0.7
113.02457	3.3
115.26239	0.8
123.04542	1.2
125.02477	1.5
135.04546	0.7
142.69858	0.7
149.06049	1.9
150.06912	5.0
161.04626	1.2
162.06888	56.4
163.07620	7.2
167.03555	0.8
176.08412	2.6
177.07684	1.1
177.09218	16.3
179.10748	1.1
191.07164	0.8
197.12039	0.9
202.10002	2.5
202.25027	0.9
209.11818	5.3
217.12383	1.3
218.91574	0.8
223.13406	3.6
412.28909	0.8
491.28699	10.4
492.28931	1.2
651.37427	2.3
669.38623	100.0
670.39075	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	669.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10012	0.3
55.01860	1.0
57.03459	3.0
58.00566	1.1
59.01384	19.9
61.98833	5.3
69.03425	1.1
71.01387	12.0
71.55584	0.8
72.99282	1.2
73.02956	3.8
75.00842	1.2
79.95695	0.3
81.03422	0.5
81.85791	0.3
83.01387	2.0
85.02958	4.8
87.00849	1.7
89.01953	0.5
89.02456	6.3
92.44772	0.4
95.01385	0.9
96.96011	2.8
97.02937	0.5
97.06592	0.4
99.00851	1.1
101.02452	7.3
107.04983	0.5
108.02118	0.5
108.06660	0.3
109.02951	0.5
111.00872	0.5
111.86036	0.4
113.02461	4.2
119.03473	1.6
123.04517	0.6
125.02403	1.2
131.03482	0.6
137.02405	0.7
137.09741	0.4
143.03389	0.4
149.02344	0.4
149.04535	0.6
150.03195	0.6
151.03951	1.1
161.04446	0.7
165.05510	0.8
167.03499	0.6
171.10196	1.2
183.13826	1.7
193.05119	0.4
201.14978	0.6
243.15971	0.8
249.05954	0.6
255.03011	0.5
267.07227	0.7
284.03098	0.6
297.04071	0.6
298.04694	1.1
299.05737	0.6
303.08698	1.2
326.04358	1.1
329.23328	2.7
357.26453	5.7
358.26944	0.8
373.26044	0.6
375.27524	23.0
376.27899	2.7
429.26169	0.4
445.07800	0.9
479.24979	2.0
497.26083	0.8
505.11459	0.8
507.12854	0.5
507.28036	0.8
519.31671	2.5
520.32861	0.5
529.16223	0.4
530.30249	0.4
537.32819	100.0
538.33154	13.0
545.74817	0.4
549.05798	0.4
551.30896	1.1
625.15204	0.8
625.31329	0.6
669.37054	44.1
670.37323	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	667.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72300	0.8
52.30476	0.6
53.96468	0.6
55.01879	3.8
57.03456	3.9
57.16856	0.6
58.00597	1.9
59.01385	61.5
60.01712	1.3
60.99314	0.7
61.98838	2.0
67.83095	0.6
68.99840	0.8
69.03468	1.5
69.17735	7.2
69.18034	0.7
71.01390	43.8
72.60412	0.7
72.99323	3.0
73.02952	11.4
75.00880	1.2
80.68655	0.7
81.03512	0.7
83.01395	7.7
83.05043	0.8
85.02962	20.0
87.00884	4.2
88.98813	4.0
89.02450	22.2
94.03004	3.3
95.01375	3.4
96.96032	4.3
97.02959	1.6
97.06587	0.8
99.00876	4.0
100.26047	0.7
101.02448	31.3
102.02827	0.9
109.02975	0.7
111.00866	2.2
111.07388	0.7
113.02464	14.8
117.03456	0.7
119.03499	7.7
119.05008	1.3
122.06117	3.5
124.01640	0.7
125.02448	1.6
129.01964	1.8
131.03568	1.2
136.05339	0.7
137.02393	0.8
138.05646	0.8
143.03532	1.8
145.02966	2.4
149.04578	2.9
149.06111	0.7
151.00316	0.9
152.07185	8.7
159.02942	1.1
160.01668	1.7
161.04570	3.7
163.04041	1.4
175.03989	0.9
179.05687	2.6
193.05054	0.8
220.68750	0.7
235.08568	0.8
237.10295	1.2
241.21722	1.1
263.20139	0.7
267.07108	0.9
269.21402	1.3
277.09735	1.6
284.03314	1.3
285.20798	0.8
287.22330	7.7
309.12775	1.0
337.09323	0.7
339.25378	1.2
343.28665	0.8
355.13135	0.9
359.27905	0.8
375.23788	1.3
413.25903	1.0
431.26440	8.6
449.27600	16.2
450.28088	1.9
474.20352	5.8
487.32986	2.4
491.28650	45.9
492.28943	7.4
505.33899	14.3
506.34314	2.2
519.31647	5.9
520.32953	0.9
535.31720	2.6
571.25458	7.0
572.25958	1.4
581.32404	1.2
607.37189	1.6
613.26868	3.1
614.27423	1.8
623.32544	7.0
624.33020	1.1
625.38330	0.9
667.39130	100.0
668.39453	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	667.37
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03442	2.4
58.00583	1.1
59.01385	33.2
60.01702	0.6
61.98828	2.1
69.03459	1.4
71.01388	22.6
72.99305	1.5
73.02943	4.6
75.00877	0.9
79.10047	0.6
83.01383	3.3
83.05037	0.6
85.02963	9.0
86.00100	0.7
87.00886	1.5
88.98808	1.2
89.02448	10.2
95.01385	2.1
96.96004	2.3
99.00898	1.2
99.04546	0.7
101.02450	14.6
107.05033	0.9
109.06599	14.3
113.02458	8.8
119.03530	4.0
125.02435	0.9
135.08266	0.6
143.03511	0.9
145.03008	0.7
149.04596	0.9
158.27928	0.6
161.04556	1.7
242.46974	0.6
291.11984	0.6
296.12503	0.8
350.81601	0.6
385.27579	1.5
443.31458	0.6
455.55908	0.8
461.32849	1.4
505.33917	1.4
529.28571	0.6
550.13873	0.7
607.36884	8.6
608.37115	1.3
623.38159	10.6
624.38190	1.4
625.38184	7.2
626.38251	1.2
645.94415	0.6
649.35248	0.7
667.37079	100.0
668.26038	1.1
668.37451	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	667.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.7
57.03466	1.2
58.00608	0.9
59.01385	13.8
68.99842	0.5
69.18754	4.0
71.01393	9.1
72.99314	0.8
73.02957	2.4
75.00883	0.7
83.01432	1.7
84.66916	0.5
85.02953	1.9
89.01923	0.8
89.02443	6.0
89.02930	0.5
95.01421	0.7
96.96039	0.6
99.04629	0.5
101.02452	5.1
101.02994	0.4
107.73636	0.4
108.96372	0.4
111.89884	0.4
113.02460	2.7
115.85398	0.4
119.03524	1.0
123.08218	0.6
125.09759	1.9
127.11347	0.8
135.04507	0.6
149.04617	0.7
155.10745	0.5
167.03534	1.3
171.10272	4.7
185.11874	0.8
327.21738	0.7
355.25027	4.7
356.25482	1.0
371.24493	0.4
373.25952	15.2
373.30716	0.7
374.26395	1.5
392.20667	0.4
470.73392	0.4
517.30328	2.0
535.31268	100.0
536.31628	12.7
667.35522	31.5
668.35883	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	667.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60677	0.4
53.87264	0.4
55.01921	0.8
55.31978	0.4
57.03460	3.0
58.00622	0.5
59.01385	16.1
62.19775	0.5
69.03499	0.5
70.55775	0.6
70.56116	1.0
71.01386	11.0
72.99369	1.4
73.02962	2.4
75.00910	0.7
83.01457	2.0
85.02966	4.7
85.06660	0.5
87.00932	1.6
89.02460	5.6
95.01420	1.1
96.96042	0.5
99.00925	0.8
101.02455	5.3
113.02451	4.4
115.00402	0.5
119.03604	0.9
123.08232	0.6
125.02503	0.7
125.09788	1.7
131.03552	0.5
133.01471	1.7
179.03709	0.5
199.13503	1.1
209.19121	0.6
267.07242	2.7
325.24191	0.4
327.21838	1.7
355.24994	5.1
356.25449	0.5
373.25952	21.1
373.30710	1.0
374.26352	1.8
394.24512	0.4
517.30127	2.4
535.31274	100.0
536.31561	12.6
667.35504	34.7
668.35773	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	667.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.3
57.03455	4.2
59.01385	43.9
59.67783	0.9
60.99317	1.0
61.98852	1.9
63.05610	0.8
69.03452	1.8
69.78231	0.9
71.01389	31.0
71.54910	1.2
72.99335	3.1
73.02949	10.3
75.00900	4.3
81.03487	1.3
81.25439	0.9
83.01383	6.2
83.05040	1.3
85.02963	12.3
87.00877	4.9
88.98836	5.1
89.02451	12.9
95.01451	2.6
96.96027	5.3
97.02975	1.8
99.00911	2.8
101.02464	19.0
101.03114	1.3
111.00928	2.3
113.02473	11.1
119.03578	3.3
119.05058	1.4
124.30884	0.9
125.02500	3.1
127.11352	1.3
129.01981	1.8
129.25842	0.9
131.03574	1.6
134.03796	1.8
135.04552	0.9
137.02469	1.0
143.03497	1.9
149.04630	2.8
149.06215	1.2
160.01814	0.9
161.04585	1.7
163.04088	1.3
165.05516	0.9
168.21350	0.9
179.05692	2.4
183.30739	0.9
193.05154	1.4
255.03119	1.1
257.17612	1.6
269.04556	1.3
269.21393	1.9
283.06073	1.4
287.22311	24.2
288.22824	1.3
314.04465	1.8
329.06882	2.6
339.25494	2.3
343.28967	1.2
357.26651	1.9
431.26608	12.2
432.26770	1.0
449.27609	37.4
450.27969	5.3
491.28632	100.0
492.28973	12.8
505.26694	3.6
505.34088	7.4
519.31836	7.1
520.33014	1.3
535.31372	2.2
581.32019	1.2
607.37561	1.3
623.20056	0.8
623.22021	1.4
623.32904	19.1
624.33667	3.0
625.38379	1.1
667.16663	1.8
667.39191	38.7
668.39618	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	667.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.3
57.03455	4.2
59.01385	43.9
59.67783	0.9
60.99317	1.0
61.98852	1.9
63.05610	0.8
69.03452	1.8
69.78231	0.9
71.01389	31.0
71.54910	1.2
72.99335	3.1
73.02949	10.3
75.00900	4.3
81.03487	1.3
81.25439	0.9
83.01383	6.2
83.05040	1.3
85.02963	12.3
87.00877	4.9
88.98836	5.1
89.02451	12.9
95.01451	2.6
96.96027	5.3
97.02975	1.8
99.00911	2.8
101.02464	19.0
101.03114	1.3
111.00928	2.3
113.02473	11.1
119.03578	3.3
119.05058	1.4
124.30884	0.9
125.02500	3.1
127.11352	1.3
129.01981	1.8
129.25842	0.9
131.03574	1.6
134.03796	1.8
135.04552	0.9
137.02469	1.0
143.03497	1.9
149.04630	2.8
149.06215	1.2
160.01814	0.9
161.04585	1.7
163.04088	1.3
165.05516	0.9
168.21350	0.9
179.05692	2.4
183.30739	0.9
193.05154	1.4
255.03119	1.1
257.17612	1.6
269.04556	1.3
269.21393	1.9
283.06073	1.4
287.22311	24.2
288.22824	1.3
314.04465	1.8
329.06882	2.6
339.25494	2.3
343.28967	1.2
357.26651	1.9
431.26608	12.2
432.26770	1.0
449.27609	37.4
450.27969	5.3
491.28632	100.0
492.28973	12.8
505.26694	3.6
505.34088	7.4
519.31836	7.1
520.33014	1.3
535.31372	2.2
581.32019	1.2
607.37561	1.3
623.20056	0.8
623.22021	1.4
623.32904	19.1
624.33667	3.0
625.38379	1.1
667.16663	1.8
667.39191	38.7
668.39618	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	667.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.6
57.03455	3.6
58.00590	3.9
59.01386	77.1
61.98846	3.4
63.66411	1.7
71.01388	47.4
71.53178	2.1
71.55791	2.1
72.99316	7.2
73.02953	7.9
75.00874	15.3
83.01369	4.1
85.02957	15.1
87.00888	4.4
89.02452	46.9
93.03494	2.9
95.01402	5.2
96.96024	45.2
98.95614	2.9
99.00923	3.6
99.04524	5.7
101.02464	30.5
107.05019	8.5
109.00613	1.7
109.02984	1.8
111.00884	2.0
111.04517	2.2
113.02488	20.8
114.98576	1.8
117.03469	12.0
119.03516	22.7
119.05056	6.2
121.03002	2.8
133.00610	1.8
135.04494	2.0
137.02409	3.2
143.03523	5.5
145.02962	39.5
147.04572	4.3
148.07690	4.1
149.04608	3.5
149.06100	6.5
159.04565	2.3
160.05298	4.8
161.04578	7.3
161.05998	3.1
161.13367	15.0
163.04022	6.9
165.05634	4.0
175.07712	2.2
179.05618	17.0
187.11292	3.1
193.05063	9.8
205.12346	40.6
206.08203	2.5
206.12590	2.1
224.04837	2.8
237.09773	3.4
239.03410	2.2
249.11349	48.5
250.11649	2.6
267.03116	2.1
268.03751	7.6
282.05319	7.4
283.06046	14.9
284.03336	3.1
305.08826	3.1
307.08203	18.2
314.04449	2.2
329.14011	2.6
355.25208	2.6
373.25836	4.6
385.18414	4.0
393.11697	2.6
429.17657	100.0
430.18115	8.0
445.09390	2.2
471.81943	2.0
519.31824	10.2
534.29877	3.5
535.31201	33.4
536.31567	3.5
542.49518	1.8
623.18091	14.0
623.35486	2.2
637.23157	13.5
667.23639	9.9
667.36853	30.9
668.38013	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	667.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
61.98854	0.4
63.50291	0.3
66.19596	0.3
69.86002	1.3
81.93338	0.3
94.08632	0.3
107.05054	0.9
107.53193	0.3
121.03002	0.4
130.83478	0.3
133.02957	0.3
136.01715	1.9
139.00410	1.0
145.03015	0.8
146.03741	2.3
153.01991	1.1
156.05852	0.5
157.06631	2.2
158.03764	0.9
159.04492	0.5
171.10272	7.1
173.02435	0.6
174.03238	3.6
175.07686	1.7
177.01945	0.4
182.72758	0.3
188.04852	0.6
199.03966	0.5
201.05582	2.0
202.02724	10.5
203.03098	0.5
206.02211	4.0
206.39496	0.3
211.07747	0.5
213.05611	0.9
214.06378	0.4
219.02974	0.3
227.07146	7.1
228.07564	0.4
229.08684	2.0
231.25444	0.3
234.01701	6.3
239.07153	0.5
240.07874	1.7
241.04948	0.7
241.08801	2.0
242.05829	1.3
242.08372	0.3
247.00398	0.3
253.09198	0.5
255.06601	1.1
257.08206	100.0
258.08527	6.7
277.21741	7.1
278.22253	0.4
317.08087	0.4
335.09225	0.6
349.07056	1.0
351.17062	0.3
364.09308	0.4
377.10220	0.7
379.08099	0.5
380.65076	0.3
409.12933	23.5
410.13382	2.2
411.14508	0.5
439.11319	0.3
495.96680	0.3
581.23901	0.4
632.13824	0.4
667.21637	10.2
668.22174	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	665.37
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01296	4.1
59.01386	32.1
61.98838	11.3
69.77513	23.2
75.98371	3.5
79.82124	4.3
85.02982	3.9
96.53973	4.0
96.96028	11.5
97.02947	5.0
98.95564	4.4
101.15037	5.0
106.78381	3.8
107.05054	4.4
125.02481	4.6
175.07620	8.1
195.13896	5.5
195.96533	3.9
207.10284	13.3
219.06590	5.2
221.15497	8.4
233.15224	4.3
237.09288	14.2
253.12386	7.8
291.19733	24.3
293.15390	10.6
309.15140	8.5
309.20773	100.0
310.21097	6.2
311.16562	20.5
325.14575	6.9
355.15491	43.5
356.16068	4.6
588.65778	4.2
665.32880	12.4
670.32465	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	665.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.6
60.60754	1.1
61.98830	5.5
69.28915	1.1
70.99525	1.1
79.05539	2.8
107.05037	12.7
107.95572	1.1
109.06658	1.1
117.03436	1.2
119.05014	1.1
135.04494	1.9
136.78888	1.3
147.04524	2.3
157.06609	14.9
159.04532	86.6
160.04836	2.8
161.02417	1.8
174.03220	1.4
175.04108	2.9
175.07663	52.8
176.08049	2.4
187.04022	3.2
187.07735	2.1
199.07587	1.5
201.05591	18.4
202.06221	2.3
203.07149	19.4
211.07678	1.6
211.33534	1.2
213.09244	5.1
215.07088	3.0
219.06683	3.0
225.09123	2.4
227.07138	1.4
228.07945	1.9
229.05072	4.6
229.08792	1.7
231.06628	2.7
233.08160	1.3
241.08691	1.8
247.03758	2.1
247.06146	28.9
248.06332	1.4
249.09241	1.4
250.09962	4.9
251.10760	4.1
259.06134	2.8
265.08496	1.6
282.09024	3.7
289.12161	1.5
328.13058	2.4
332.58670	1.4
349.21722	3.4
361.21844	1.8
364.81122	1.4
371.41406	1.2
373.21716	60.6
374.22018	6.9
375.19565	2.0
387.19583	2.5
389.21301	5.6
393.20752	8.1
399.19565	2.9
401.21240	2.4
405.20627	1.4
415.19174	3.7
416.19608	2.1
417.20767	100.0
418.21103	15.3
432.19226	1.9
433.20230	15.9
434.20563	2.9
513.85895	1.2
551.77972	1.2
603.27338	7.1
604.27484	2.0
621.29120	2.2
629.25354	19.3
630.25946	2.2
647.26575	29.1
647.37415	1.8
648.26758	4.6
665.27527	73.1
666.28070	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	665.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77308	1.1
61.98837	2.0
62.60344	1.2
63.89334	1.2
67.01897	21.2
71.54345	1.5
71.54773	2.3
97.89929	1.2
107.05029	2.7
120.41330	1.3
130.72325	1.3
135.04515	1.8
148.05307	6.8
151.17813	1.2
157.06612	10.2
159.04507	2.2
169.06790	1.7
171.08176	1.5
173.06116	1.5
174.06728	1.8
175.07666	4.3
182.67326	1.4
190.10629	1.3
195.11737	3.9
199.07669	1.6
201.05495	6.3
225.09204	3.1
227.07216	7.8
237.09177	2.3
239.10793	100.0
240.11105	5.2
255.06645	51.7
256.07089	2.7
263.10913	1.7
265.09464	2.0
265.12326	14.1
326.98572	1.2
347.20026	2.9
365.21399	6.1
391.22961	2.4
393.20737	2.3
409.20190	36.3
410.20523	5.9
410.58383	1.5
411.20712	2.1
432.72986	1.3
621.28400	2.7
647.26569	4.9
665.27557	84.9
666.27863	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47919	1.0
59.01383	7.5
61.98837	2.6
71.55292	2.0
71.55652	1.7
83.05033	2.0
96.96027	2.3
107.05059	6.5
115.53345	1.2
119.05011	1.9
121.02924	1.3
122.03703	1.5
135.04526	10.1
142.98553	1.1
157.06595	5.3
159.04530	3.9
161.02490	1.9
175.07663	6.9
187.04074	2.4
187.07698	1.5
199.07693	1.1
201.05573	5.5
211.07637	2.8
212.08267	1.4
213.09227	3.4
215.07126	1.5
219.06609	3.3
225.09254	6.8
226.09915	7.1
227.07198	1.9
229.05150	1.9
237.05571	1.8
241.12341	1.5
243.06496	2.9
251.07088	1.8
251.10814	1.2
251.14395	1.8
255.06642	14.7
256.07230	2.1
263.07101	3.9
264.07785	1.9
265.08582	1.6
277.16013	2.6
291.10394	1.1
295.17062	10.2
320.14102	1.5
321.18643	1.7
329.11316	1.3
365.21140	8.5
366.21518	1.3
391.19092	34.9
391.23871	2.1
392.19385	7.8
393.19800	1.8
409.20227	100.0
410.20499	11.5
411.20853	1.6
417.20914	10.1
431.18515	5.3
433.20056	5.1
435.21643	1.3
473.65509	1.1
525.80481	1.1
603.26990	1.5
621.28802	1.7
647.26550	37.9
647.37488	1.8
648.27106	8.4
665.26672	12.1
666.28210	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	665.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38736	1.4
57.00310	1.4
59.01376	2.8
61.98843	6.5
71.55540	2.5
105.03476	2.3
107.05050	5.0
135.04541	5.5
136.05318	12.0
147.04526	2.1
157.06583	6.1
159.04561	3.5
161.02393	1.8
163.61679	1.2
171.08209	1.7
175.04019	2.5
175.07610	8.5
183.08139	3.8
187.04042	2.2
187.07639	2.7
201.00662	1.4
201.05606	8.0
203.07188	4.8
209.09654	3.9
213.09245	2.1
215.07153	3.9
219.06670	2.5
225.09186	11.0
226.10025	2.7
227.07283	2.0
227.10776	42.2
228.11099	3.1
231.06660	2.2
237.09268	3.3
239.10785	3.1
249.09149	1.7
251.07166	2.0
251.10815	7.0
253.08725	4.3
255.06616	9.4
263.07193	1.9
265.08713	5.6
277.08743	3.3
277.12341	1.7
279.10361	6.9
293.08331	4.2
339.16089	2.4
347.20123	7.7
353.14001	3.9
365.21234	1.5
373.18082	3.9
375.19357	1.7
389.20959	4.4
390.21655	1.4
391.19202	15.0
392.19229	3.0
409.20203	100.0
410.20526	18.2
411.20755	5.2
415.19122	2.4
417.20731	9.7
431.18610	2.9
432.19296	2.1
433.20221	19.1
622.28125	1.6
647.26508	53.9
648.26770	8.7
665.27185	15.8
666.27863	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	665.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49389	0.5
52.31290	0.5
54.39835	0.5
58.00594	1.2
59.01386	45.7
64.07590	0.5
64.46462	0.5
65.06141	0.5
70.56578	1.0
70.56905	0.7
71.01388	21.4
72.99317	1.8
73.02933	1.4
76.94108	0.6
82.25418	0.6
82.44117	0.5
83.01379	0.8
83.29304	0.4
85.02957	4.6
87.00889	0.8
89.02453	24.4
95.01395	1.6
96.37876	0.5
101.02447	15.3
113.01730	0.8
113.02467	10.8
119.03521	9.9
131.03497	0.8
133.41713	0.5
143.03496	1.0
143.07164	0.8
149.04585	4.0
161.04562	1.5
179.05661	1.5
237.09814	2.0
279.10910	2.1
309.11801	0.8
323.13492	100.0
324.13815	6.1
341.10944	1.0
683.61536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3759
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01874	0.5
57.03457	0.6
59.01387	9.4
61.98814	0.3
68.14922	0.2
69.03499	0.2
70.18565	0.6
71.01389	8.1
72.99317	0.9
73.02959	2.5
75.00877	1.2
75.87897	0.2
83.01397	1.9
83.85261	0.2
85.02962	3.6
87.00884	1.0
89.02451	2.3
93.03452	0.4
95.01396	0.9
96.96009	1.7
97.02998	0.2
97.06493	0.2
98.19995	0.3
99.00908	1.2
99.04549	0.2
101.02457	6.1
111.00885	0.3
113.02473	3.7
115.00363	0.2
116.92857	0.2
119.03492	0.6
124.01654	0.7
129.01988	0.3
135.04507	0.3
137.02448	0.2
149.04588	0.3
239.03496	0.3
249.06122	0.9
251.07077	0.2
264.07858	0.2
279.06717	0.5
282.05325	0.6
294.09000	0.3
297.07526	0.3
323.05588	0.3
325.25293	0.5
353.10324	0.8
457.23441	0.4
457.33289	1.6
458.33554	0.2
487.25476	0.7
531.28180	0.6
603.17371	3.9
604.17456	0.5
619.38641	12.9
620.38947	2.3
663.37567	100.0
664.37909	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	665.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.03467	6.1
58.00599	1.2
59.01384	37.2
61.98835	2.9
62.29230	1.2
68.99810	2.0
69.36986	1.4
69.37110	1.8
69.37550	8.6
71.01386	31.3
72.99309	4.9
73.02950	5.7
75.00869	8.0
83.01406	4.3
85.02953	11.7
87.00893	7.7
88.98792	1.6
89.02447	14.7
90.98596	5.0
93.03451	3.3
95.01411	2.7
95.05061	1.7
96.96039	6.2
97.02957	1.9
99.00899	3.5
99.04532	4.7
101.02448	13.7
105.03475	5.5
108.02185	1.7
109.66518	1.2
111.00862	1.8
112.98793	2.0
113.02445	13.4
115.00362	6.7
115.04010	1.3
119.03493	3.3
119.05035	2.3
120.01283	1.2
121.02952	4.3
122.06105	1.7
123.04554	2.3
125.02459	3.0
129.01877	2.0
133.01418	1.8
133.02968	45.4
134.03783	13.6
135.02969	2.3
135.04547	18.3
137.02470	12.6
139.03983	3.8
143.03481	2.0
148.04094	1.5
149.04538	3.7
149.06079	2.0
150.03195	1.7
156.21399	1.4
159.03035	1.5
159.04460	1.6
160.01665	3.9
161.02461	4.9
161.04599	4.6
163.03970	1.6
165.04115	2.8
165.05475	2.7
175.03986	4.8
176.04749	2.8
177.01938	34.3
178.02715	28.8
179.03519	12.4
179.05661	3.0
189.60268	1.4
191.07138	1.8
193.05069	14.8
203.03479	1.4
209.06061	2.1
213.09195	2.2
221.15457	1.7
249.06064	2.3
249.11612	1.2
255.02994	1.5
267.07260	4.0
269.04672	1.9
281.05280	1.2
282.08508	1.7
283.07788	3.0
285.03955	4.1
295.05994	1.8
312.83212	1.5
341.10257	1.6
353.10178	2.6
355.57309	1.4
369.09787	100.0
370.10178	7.7
485.23846	2.0
521.25928	3.1
533.22406	8.9
533.29657	5.6
547.23975	4.4
549.16174	3.1
665.17889	20.7
665.28442	8.4
666.19250	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	663.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48153	0.1
55.01901	0.8
57.03464	0.8
58.00590	0.2
59.01387	10.2
61.98818	0.5
62.09941	0.1
70.72668	0.5
71.01390	8.2
72.99334	0.9
73.02556	0.2
73.02955	2.9
73.76691	0.2
75.00863	0.7
83.01395	1.7
83.04987	0.3
85.02965	4.9
87.00877	0.8
89.02460	1.8
95.01413	0.9
96.96021	2.1
97.02948	0.2
99.00913	1.1
99.04514	0.2
101.01802	0.3
101.02459	6.7
101.97510	0.2
111.00852	0.4
113.02473	3.6
119.03492	0.6
124.01654	0.5
125.02467	0.3
129.02003	0.3
134.03752	0.3
135.04591	0.2
137.02438	0.3
139.00414	0.2
143.03494	0.3
149.04553	0.2
159.02986	0.2
161.04564	0.6
167.03415	0.2
179.05630	0.2
181.16815	0.1
183.10272	0.2
183.98235	0.2
184.37997	0.2
193.05130	0.3
200.01891	0.2
229.09633	0.2
239.03520	0.2
249.06073	0.8
251.07030	0.2
272.37534	0.2
279.06760	0.2
282.05075	0.2
294.08893	0.2
297.07620	0.3
325.25067	0.2
337.25208	0.2
338.08206	0.2
353.10294	0.5
369.22845	0.2
457.33450	1.5
458.33481	0.2
487.14731	0.3
487.25266	0.9
515.28027	0.3
531.28119	1.0
603.17242	2.0
604.17609	0.4
619.38641	12.1
620.39008	1.8
663.37549	100.0
664.37878	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	663.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15515	1.2
57.03461	3.2
58.00584	3.1
59.01385	71.9
60.01731	1.4
60.41790	1.4
62.77151	1.2
66.81403	1.4
69.47641	9.5
71.01387	48.6
72.99311	5.5
73.02940	8.0
74.92729	1.4
75.00854	2.1
80.37886	1.2
83.01402	5.0
85.02958	18.2
87.00887	2.6
89.02454	29.9
95.01406	3.4
95.05054	2.5
96.96014	5.8
99.00891	4.5
99.04533	2.6
100.31368	1.4
101.02451	27.5
107.05026	2.4
113.02467	17.8
119.03521	8.1
119.05045	1.9
122.06134	3.4
125.02392	2.1
129.01906	1.5
131.03574	1.8
136.04041	1.9
136.74901	1.4
138.05659	2.1
143.03540	2.9
149.04462	2.1
152.07140	1.6
161.04605	7.3
161.09682	2.4
161.13362	21.2
162.13693	1.6
177.71669	1.4
179.05583	2.1
185.09587	1.7
187.11308	50.4
188.11685	2.3
193.05042	1.8
201.10413	2.4
205.12354	22.2
206.12558	1.6
213.10393	2.5
221.49393	1.5
229.09839	5.1
231.10214	4.5
239.11980	2.3
249.11345	8.1
251.11378	19.7
269.04642	4.6
289.12000	1.9
301.11914	6.1
304.90555	1.4
319.12994	23.3
320.13516	2.5
327.13510	1.5
358.85883	1.3
404.15985	2.4
411.16394	1.4
437.15634	1.8
439.23529	9.0
483.22409	100.0
484.22720	10.3
519.24854	3.8
531.28333	2.3
545.23914	2.3
569.23944	4.0
577.28650	1.8
587.25104	13.3
590.23895	2.0
613.23401	3.4
628.35089	1.6
631.24060	18.3
632.24353	4.0
645.25287	2.2
663.28314	53.8
663.39832	3.0
664.28687	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	663.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03444	1.7
58.00597	2.1
59.01385	58.5
59.77390	1.0
61.59531	1.2
69.31624	9.3
71.01389	41.7
72.99303	4.4
73.02943	5.3
75.00842	1.4
79.05523	1.0
83.01389	3.7
85.02523	1.5
85.02962	14.5
87.00878	2.1
88.30688	1.1
89.01934	2.0
89.02451	24.9
94.02978	1.7
95.01402	4.4
95.05046	1.3
96.96015	5.5
98.95616	1.9
99.00869	3.3
99.04504	1.8
101.02454	22.0
107.05009	2.8
113.02461	15.3
113.04543	1.0
113.06129	1.9
119.03516	8.5
131.03488	1.2
136.72954	1.3
138.01947	1.3
143.03468	2.5
159.02965	1.3
161.04533	7.3
161.13376	12.8
162.13725	1.3
169.10144	1.7
175.12320	1.2
179.05569	2.3
185.09657	2.1
187.11302	39.1
188.11641	1.9
205.12373	19.8
206.12497	1.2
213.20769	1.1
229.12320	2.2
231.10316	5.8
249.11308	4.3
251.11382	18.7
411.16766	1.4
439.23505	5.9
483.22406	100.0
484.22830	11.1
487.25162	1.3
601.31946	2.2
634.03558	1.2
663.28613	52.3
664.29083	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40466	1.0
55.01868	1.4
57.03445	4.3
58.00594	2.0
59.01387	65.7
60.01754	1.0
69.28291	9.7
71.01390	45.4
71.01783	2.7
71.20837	0.9
72.01659	1.1
72.99298	3.8
73.02963	8.4
75.00860	2.0
75.66329	1.1
79.05555	1.8
83.01394	3.1
85.02965	15.5
87.00897	3.7
89.01938	2.0
89.02455	26.4
95.01374	4.3
95.04995	1.3
96.96006	5.4
98.19980	2.7
99.00868	2.2
99.04523	2.7
101.02454	27.8
113.02463	17.1
113.06001	1.2
119.03501	9.4
121.02895	1.2
122.06142	1.5
129.01936	1.2
131.03482	1.4
134.03720	3.7
137.02470	1.8
143.03461	2.7
148.04086	1.1
152.29855	1.1
160.01645	2.5
161.04544	7.1
161.09775	1.8
161.13394	14.7
175.04025	2.3
179.05592	2.7
187.11302	39.2
188.11601	2.2
193.05026	3.2
196.41776	1.3
205.10559	1.6
205.12358	20.5
206.12665	1.3
231.10274	3.7
249.11351	5.9
251.11406	15.9
439.23221	7.5
439.57675	1.3
462.08099	1.4
469.13458	2.4
483.22412	100.0
484.22739	13.7
531.28369	5.3
577.28528	1.4
590.08087	1.5
601.31744	1.4
619.29773	2.7
663.28625	53.7
664.29047	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	663.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03440	1.5
58.00586	1.2
59.01384	59.2
60.88765	1.0
68.40595	1.1
70.56258	3.0
71.01391	40.4
72.99310	4.6
73.02966	6.0
75.00864	1.2
77.12354	1.0
78.27968	1.1
78.78268	1.1
83.01389	4.1
85.02953	14.4
87.00885	3.0
89.02451	26.1
93.03440	1.0
94.37537	1.0
95.01384	5.0
95.05022	3.3
96.96020	2.5
98.20620	1.2
99.00883	3.6
99.04529	3.5
99.49105	0.9
101.02456	27.9
105.07093	1.3
107.05025	2.9
109.02957	1.6
113.01726	1.3
113.02457	16.4
119.03529	9.3
119.05019	7.2
130.76819	1.2
131.03534	1.2
134.03763	5.4
142.78593	1.0
143.03465	1.2
149.06042	1.4
157.06592	1.9
159.02991	2.1
159.11745	2.9
160.01630	2.0
161.04581	9.8
161.13368	20.5
163.04036	5.0
164.04616	1.0
169.10320	1.8
175.04004	1.5
178.02693	1.3
179.05620	2.3
185.09769	2.5
187.11298	51.3
188.11615	3.0
193.04985	5.6
205.12346	25.9
206.12593	1.9
229.08652	1.0
229.12404	3.0
231.10234	4.2
249.11340	6.1
251.11363	22.3
252.11784	1.9
367.20761	1.0
411.16641	2.9
439.12241	1.1
439.23383	12.1
440.23669	2.5
457.13617	3.5
483.22385	100.0
484.22717	12.7
487.14639	2.7
531.21008	2.0
543.85852	1.3
619.18945	1.2
632.81427	1.9
663.28754	59.0
664.29034	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	663.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30010	1.4
59.01371	1.5
60.46886	1.4
61.98826	3.9
69.17595	7.3
69.18024	6.3
71.80995	1.1
74.29764	1.2
98.19844	2.6
106.57497	1.2
114.57365	1.4
275.11050	1.8
279.23367	1.4
335.62994	1.2
341.11938	12.0
342.12488	1.6
363.23657	1.5
365.15634	6.6
527.19489	2.5
541.20697	3.1
593.19855	1.9
605.20465	4.4
633.22815	2.2
663.27832	100.0
664.28284	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	663.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
57.20343	0.4
58.00593	1.8
59.01384	41.4
60.01725	0.6
67.74046	0.4
69.69411	2.8
71.01389	28.7
71.20910	0.4
72.99319	1.8
73.02941	1.1
74.85336	0.4
75.00909	0.5
83.01401	1.3
85.02959	6.0
87.00891	0.7
89.02450	31.8
89.66515	0.5
90.02778	0.6
95.01404	1.5
96.96039	2.9
99.04510	2.0
101.02449	17.0
113.02460	12.2
113.14273	0.5
117.05612	2.1
119.03517	14.3
131.03522	1.9
143.03503	1.5
147.06604	0.9
149.04561	1.3
161.04547	1.0
163.74208	0.5
165.05563	0.6
179.05640	3.4
216.32481	0.5
279.10864	100.0
280.11163	6.0
323.13510	1.0
383.15479	2.7
401.33978	0.6
554.62311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.3
61.98832	5.5
69.24677	11.2
69.25103	9.0
74.82980	2.2
75.02377	1.9
78.95932	2.3
105.03471	6.4
107.05063	11.3
135.04543	9.3
145.02942	3.5
149.46709	2.4
157.06619	19.6
157.33978	2.2
158.03754	4.1
159.04524	7.5
171.04539	2.3
175.03789	2.2
175.07655	23.4
176.07956	2.4
183.08138	3.8
187.03990	2.2
197.09589	2.5
201.05600	29.2
203.07112	7.9
209.72272	2.2
211.07614	8.8
212.08409	3.8
219.06656	5.4
220.07175	2.4
225.05571	4.5
225.09160	7.2
226.09969	9.0
227.10709	6.1
229.05125	13.9
231.06610	5.3
237.09386	3.2
240.07932	12.6
241.12358	4.1
247.08080	12.8
248.08365	8.1
251.07050	4.4
259.07764	2.9
263.07059	2.7
269.08215	2.3
283.17108	9.3
302.12805	2.3
309.15005	37.2
310.15488	4.0
313.10895	21.4
327.16043	100.0
328.16562	5.7
349.21738	5.7
371.20200	29.1
372.20264	2.8
375.19800	12.8
377.19678	2.3
387.19748	14.3
391.19238	33.9
393.20667	2.5
397.18219	5.5
399.19635	3.3
408.18964	2.7
409.20151	12.1
413.17624	6.1
415.19125	43.0
416.19510	3.9
431.18555	8.0
557.21771	13.0
581.29889	3.7
601.25671	7.7
627.24304	2.6
645.24780	13.1
646.25574	4.0
651.30450	2.3
663.25153	47.0
664.25891	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	663.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03456	7.9
58.96888	1.4
59.01389	22.6
60.34533	1.5
69.03440	2.8
70.05066	1.5
71.01388	59.5
71.22803	2.7
72.01702	1.5
72.30494	1.5
72.99300	8.4
73.02964	11.4
75.00859	2.3
83.01373	3.6
84.02175	1.7
85.02959	54.5
87.00889	37.7
89.02434	3.1
94.98274	1.4
95.01376	2.2
96.96031	8.8
97.02952	3.9
99.00834	2.3
101.02445	18.6
103.04043	1.7
105.01945	3.5
113.02460	100.0
124.34048	1.3
125.02426	4.5
129.01938	4.9
131.03505	13.8
135.03093	1.8
139.03995	1.5
151.12224	1.4
152.91783	1.7
157.01431	3.2
157.27844	1.6
165.04019	7.5
173.04616	8.9
175.02490	7.5
301.77554	1.5
335.09811	12.6
379.08826	4.6
409.09860	4.3
439.10870	2.7
499.13077	6.5
501.14517	9.8
543.15576	6.5
573.16711	15.5
574.17017	2.8
603.17859	24.9
604.17871	2.6
625.59381	1.7
627.16602	7.0
663.19946	96.6
664.19806	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	661.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.9
59.01389	17.5
61.98828	6.9
71.01392	2.5
71.22038	4.2
77.03967	3.2
78.95906	14.8
79.95779	3.4
80.96530	25.7
82.74301	2.1
83.05051	3.8
94.98091	6.4
96.96049	3.2
101.02473	2.7
105.03475	4.4
107.05015	2.7
111.94093	2.2
116.92892	6.9
119.05044	8.3
121.02946	3.4
123.08161	3.9
125.02476	3.1
131.33258	2.0
134.97621	2.6
135.04565	5.4
143.99275	2.0
144.07269	1.9
148.99144	3.4
152.99603	6.8
159.33679	1.9
161.02490	3.9
163.03940	2.2
164.98555	4.0
169.06577	4.6
171.00655	7.9
175.03975	3.7
175.07625	3.6
183.08197	8.9
185.06105	2.4
193.06630	3.3
203.07376	2.5
206.07384	2.9
207.08136	7.7
209.09842	3.0
211.07678	5.9
213.09303	4.0
223.07680	17.6
225.00777	5.4
225.09267	16.3
227.10808	4.4
233.06070	2.9
234.06883	2.9
235.07521	6.5
237.09274	11.7
239.07111	3.8
239.10814	3.8
241.08702	3.3
249.05537	3.7
251.07149	26.3
252.07689	7.4
256.07520	4.1
261.09161	2.8
263.07138	18.1
264.07935	11.3
265.08594	5.1
269.08170	5.3
275.07370	2.4
281.08130	4.9
287.10706	3.4
289.08786	5.6
290.09299	2.6
291.13699	3.0
299.04410	8.1
303.10263	16.3
304.11084	16.7
319.13297	12.5
339.15915	4.3
345.18643	8.5
349.14410	2.8
363.19839	5.6
373.18130	85.3
374.18378	9.8
375.19748	6.6
381.20697	2.8
389.12512	2.5
389.17551	49.8
390.17923	7.1
391.19116	53.0
392.19470	9.6
393.20993	4.3
405.17126	3.8
406.17004	2.9
407.18683	100.0
408.19000	16.6
409.20178	12.1
423.18173	11.1
425.19687	9.4
433.23230	2.4
579.28345	42.5
580.28894	6.6
643.36090	3.7
648.64575	2.2
661.27930	3.1
661.37592	54.7
662.37842	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	661.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42944	0.4
61.98844	1.1
70.27898	1.8
79.55570	0.4
151.98845	0.5
161.02444	4.1
183.08139	0.8
205.03108	1.0
219.06535	0.7
221.96733	0.4
225.09308	0.6
241.08604	0.7
249.05882	1.0
251.07173	0.9
253.08684	1.3
255.23343	0.5
267.06372	0.5
275.11038	1.1
296.08524	0.7
297.09503	2.6
305.11890	0.5
307.07806	0.8
309.09457	0.6
328.07712	1.0
339.10516	9.1
339.15338	0.7
340.10919	0.7
365.15665	6.3
366.15942	0.5
407.18372	0.8
407.88556	0.5
425.19983	0.5
435.12845	0.5
451.15680	0.6
481.18509	0.6
527.18848	4.9
528.18707	0.8
539.18762	0.7
541.20862	2.1
542.66449	0.4
549.17047	0.7
555.18042	1.2
573.21088	0.6
587.22754	1.5
591.18384	2.0
603.18524	5.0
604.20483	1.0
617.23138	0.9
661.26257	100.0
662.26605	20.0
672.59906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23955	0.8
54.09715	0.8
57.03454	55.4
59.01385	12.4
61.98829	1.2
69.03458	1.1
69.60693	4.2
69.61286	0.8
71.01389	3.4
71.05042	1.5
72.99329	1.0
73.02934	1.3
74.60760	0.8
78.95949	0.9
81.03471	2.3
83.01395	1.0
85.02935	1.0
87.45934	0.9
89.02417	1.2
95.01434	0.7
96.95999	6.3
99.04527	39.6
100.04885	1.1
101.02452	15.2
113.02476	1.7
116.17243	0.8
120.37644	0.7
121.02994	1.0
123.00906	1.5
123.04585	1.0
124.01672	2.0
125.02464	24.9
135.04544	2.6
137.02473	1.6
143.03546	1.1
145.80014	0.7
149.06227	0.9
152.07210	1.7
161.04591	1.3
187.07593	2.6
189.09259	1.3
198.94116	0.8
207.10257	11.8
208.10666	0.9
217.13499	1.2
224.27072	0.8
225.09222	1.3
226.09979	3.0
233.11848	2.5
237.09210	9.3
238.09949	2.8
239.10608	1.9
241.12358	6.8
242.12759	1.0
250.95227	0.8
252.07944	1.9
253.12329	5.0
261.12564	1.1
278.13266	2.3
291.13971	1.2
293.15533	12.8
294.15826	0.9
295.13422	0.9
305.08743	7.6
309.15030	6.2
310.15466	1.0
311.16528	29.1
312.16864	3.5
325.14572	1.7
355.15524	100.0
356.15802	10.0
413.11349	2.7
433.27838	1.3
543.26331	0.8
629.25793	1.5
661.28229	5.9
662.29810	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	661.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03452	2.5
59.01384	28.4
61.46334	0.4
62.51726	0.4
68.54807	0.4
68.99812	0.8
69.03459	0.7
69.92728	1.6
71.01385	21.8
72.99316	3.7
73.02945	2.5
74.02466	0.4
75.00877	10.3
79.57080	0.4
83.01389	1.3
85.02956	22.3
85.07779	0.5
86.03290	0.5
87.00880	8.8
89.02446	6.9
91.04007	0.7
95.01398	4.3
96.96008	1.7
97.02903	0.5
99.00887	6.6
99.04507	0.6
101.02448	2.7
103.00371	2.3
105.16351	0.5
111.00888	1.6
112.01637	0.7
113.02459	32.7
114.02820	0.8
115.00358	1.4
117.01946	2.0
119.03517	0.5
119.44852	0.4
125.02468	0.8
127.04022	0.8
129.01926	1.6
131.03491	1.8
137.02438	0.7
139.00343	0.5
148.05313	5.6
149.04575	0.7
153.01978	0.5
157.01445	1.0
159.03023	0.5
161.04614	0.4
163.07651	2.4
175.02495	2.2
193.03549	3.9
200.14439	0.4
205.07176	2.9
207.05070	0.8
231.04987	0.5
247.08078	0.5
249.06140	7.0
267.07224	100.0
268.07587	4.9
273.06110	0.6
291.07245	9.9
292.07501	0.6
335.06195	17.1
336.06461	1.4
385.81110	0.4
563.75684	0.4
591.84674	0.5
617.23273	0.6
661.19366	10.3
662.20349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98843	8.7
70.48098	1.4
70.48463	2.4
98.19955	1.0
99.99342	0.8
119.05079	1.0
135.04523	1.2
137.02496	0.8
140.64444	1.0
145.81192	0.8
161.02428	1.0
183.51828	1.0
200.12086	1.0
207.08087	1.0
213.09006	1.0
223.07607	2.3
228.55836	0.8
235.07587	1.0
237.09174	1.3
251.07181	3.3
255.23473	1.1
267.06616	1.0
279.06619	1.2
373.17987	2.8
389.17438	3.8
391.19275	1.1
405.16977	5.8
407.18640	2.3
412.96130	0.8
588.49713	0.9
659.35846	5.5
660.36212	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	659.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57201	0.5
59.01388	3.9
62.28101	0.5
69.25144	3.2
69.25564	1.2
71.01374	2.0
73.02945	1.1
80.05061	6.2
80.96531	2.3
84.95122	1.0
85.02924	0.5
89.02443	0.6
94.06632	1.8
94.98101	0.6
96.96014	6.2
98.19873	0.9
101.02454	0.9
104.05079	2.9
106.06633	3.5
107.03765	3.4
108.04568	2.5
113.02430	0.7
115.82665	0.5
122.06128	23.5
123.06524	0.6
124.07706	1.2
129.95746	0.6
130.06660	1.1
132.04573	1.6
134.06134	9.9
136.07660	3.4
146.06149	2.3
148.04094	2.7
148.07771	0.7
150.05568	0.6
152.07179	46.1
153.07536	1.2
160.04057	2.3
160.07724	1.2
161.04637	0.5
162.05545	0.6
173.04774	0.7
174.05579	2.9
180.06665	6.2
186.05527	1.0
188.07173	19.7
189.07559	0.7
190.05135	0.6
210.07890	0.9
211.08783	3.0
212.40408	0.5
213.10393	0.7
223.08832	0.5
223.12442	0.6
224.09563	1.3
225.00645	0.7
225.10333	5.0
226.11102	1.7
227.11894	5.0
235.08702	1.1
237.10327	2.1
238.07469	2.3
239.08139	1.0
239.11868	1.8
241.09828	0.5
241.13307	0.6
245.12997	5.1
248.09532	1.0
249.06593	1.1
249.10388	1.5
250.07414	0.6
251.08284	2.7
251.11845	2.1
252.08997	2.3
253.07437	0.5
253.09833	9.8
254.10141	0.8
263.08292	0.8
264.08826	1.1
265.09857	3.0
266.10535	1.3
267.11337	5.9
269.09308	0.5
277.09845	2.9
278.07388	0.5
278.10550	1.4
279.08087	2.8
279.10910	2.6
280.08582	1.0
289.10104	0.7
291.07742	0.7
292.08578	1.1
293.09381	2.8
294.10208	3.1
295.10883	34.7
296.11234	3.5
305.09335	0.6
307.10907	15.3
308.11230	1.2
309.12628	0.5
311.06705	0.5
313.11765	1.0
321.08704	1.0
323.10437	3.4
325.11850	1.4
338.09213	0.6
339.09943	2.3
346.19791	0.6
358.15613	0.6
364.20340	0.6
390.18509	0.9
392.19714	1.8
394.22971	0.5
404.15814	0.6
418.17520	1.5
432.19412	2.9
436.18680	0.8
439.71112	0.5
458.17151	1.1
460.18817	39.5
461.19116	5.0
463.17612	0.7
476.18143	2.6
486.16666	0.7
504.17798	100.0
505.18103	11.8
508.20804	1.3
536.20404	56.8
537.12793	0.4
537.20581	8.7
565.24445	1.3
609.23553	1.1
627.24786	1.0
659.33405	3.6
660.34436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96877	0.7
59.01386	29.3
69.75200	4.2
71.01409	1.5
72.99344	0.8
73.02959	0.9
75.57225	0.8
80.05064	12.0
94.03000	2.5
94.06666	0.7
95.05051	0.8
96.96030	4.5
97.07964	0.7
104.05073	4.5
106.06662	2.6
108.04584	4.0
108.08229	4.2
120.08206	1.6
121.05395	4.6
122.02496	0.8
122.06133	6.1
124.04071	3.5
130.06659	1.7
132.04544	1.1
134.06139	1.8
136.04074	6.4
136.07695	63.9
137.04836	2.7
137.07997	2.0
138.05644	4.8
147.05661	3.3
148.04062	4.4
148.07674	1.2
150.05617	9.9
151.16527	0.8
153.04301	1.8
160.04089	1.6
161.03568	1.1
168.06636	1.5
174.05598	3.9
175.05127	2.7
176.05817	1.4
184.11285	0.8
186.12828	1.3
190.05098	3.2
193.04967	0.9
201.10352	17.0
202.12633	0.9
209.11966	1.0
211.08818	1.6
213.10333	7.9
217.09854	1.2
221.83644	0.9
223.08699	1.2
227.11882	7.4
228.12729	0.9
229.09882	19.5
229.13417	16.8
230.13951	1.3
237.10455	2.5
239.11902	7.9
241.09807	2.8
243.11325	1.7
245.12929	2.5
247.08716	1.0
247.10948	3.0
249.06622	0.9
249.10422	0.8
251.08583	0.9
251.11632	0.9
253.13374	1.1
255.11354	6.9
257.12982	5.7
265.09897	1.7
267.11411	2.3
269.13077	1.1
273.12466	7.0
279.11490	2.8
280.12054	1.1
281.09546	0.9
281.13068	1.8
282.05325	2.0
289.09216	1.0
289.11954	6.1
297.12457	7.7
301.11951	19.7
302.12463	1.3
307.10855	4.1
309.12549	5.1
317.11682	1.1
319.12994	91.2
320.13211	5.7
327.13394	4.8
330.12589	1.7
332.14053	1.3
339.13562	4.5
344.10284	1.3
346.11868	1.8
358.11914	1.5
359.12582	2.3
360.13342	3.1
362.15045	0.9
366.17700	0.9
372.13446	1.4
373.14392	1.2
374.15152	10.2
375.15308	1.1
377.10254	1.3
386.15176	1.3
391.15402	5.1
392.16138	11.6
393.16571	1.6
395.11395	3.2
400.12823	2.3
402.14282	1.2
403.15024	1.5
404.16342	1.6
416.16220	5.7
418.14264	2.5
428.15695	1.1
432.15793	1.1
434.17145	5.0
446.17294	2.9
513.46399	1.1
515.26514	2.9
521.58063	1.1
523.23596	3.3
541.24542	25.1
542.25159	3.6
547.23230	1.1
553.24323	1.9
555.26434	1.5
559.25720	2.9
565.24805	9.0
566.25049	1.1
583.25641	79.7
584.25952	13.3
585.23529	1.7
586.24048	4.3
587.24963	1.2
609.23004	1.9
627.24628	100.0
628.24841	16.3
659.27271	25.9
660.27045	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	659.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	73.8
69.31229	16.5
71.01398	5.6
80.05067	15.6
85.02971	3.8
89.02454	3.0
94.03027	4.2
94.52135	1.9
96.96024	14.2
98.20658	4.3
101.02480	4.9
104.05060	3.1
106.06631	2.3
106.58939	1.9
108.04554	3.5
108.08229	5.8
115.91985	1.8
116.92857	2.2
121.05334	7.1
122.06139	19.1
124.04042	5.1
130.06647	1.7
132.04549	2.8
134.06128	5.2
136.04037	8.5
136.07700	88.5
138.05611	4.0
139.04016	3.1
146.06091	1.9
148.04025	4.2
148.07674	2.0
149.09702	1.8
150.05605	12.8
150.06662	2.0
152.07156	17.6
153.04309	2.4
160.04097	3.6
174.05641	5.9
178.02701	2.2
193.05052	2.5
201.10326	10.8
211.08803	3.0
213.10335	5.6
227.11960	7.8
227.60851	2.0
229.09854	13.1
229.13428	11.4
230.13914	2.6
237.07698	4.2
237.10251	4.2
239.11925	8.2
241.09891	2.5
245.12997	2.9
247.11154	2.3
249.10353	2.6
253.09900	2.9
255.11292	8.9
257.12991	7.1
265.09708	2.8
267.11313	1.9
273.12521	6.8
277.10165	2.2
278.10275	2.5
279.11319	4.0
282.05399	5.0
289.12018	3.1
297.12415	14.3
301.11945	15.8
303.13242	2.3
307.10883	3.7
309.12531	5.4
313.12195	2.5
316.11130	2.3
317.11499	2.0
319.13004	80.7
320.13367	5.5
327.13596	4.5
332.13828	3.1
339.13556	4.4
346.11945	2.5
359.12793	2.9
360.13486	3.4
362.14935	2.4
372.17337	2.5
374.15027	12.4
377.10263	8.6
386.11081	2.0
391.15411	6.6
392.16171	11.8
395.11298	10.2
403.15222	2.3
416.16162	5.3
434.17157	4.8
443.18854	2.5
460.18582	2.3
466.81549	2.1
504.17935	5.0
515.26202	4.0
523.23322	4.9
524.26239	2.0
536.20654	3.0
537.20490	2.6
541.24628	30.9
542.24939	6.2
555.24884	1.8
565.24298	15.5
566.25201	2.2
583.25665	66.2
584.25800	8.8
585.23615	4.7
586.24091	9.7
599.25385	2.2
609.23718	7.3
615.28668	2.0
627.24615	100.0
628.25018	16.8
641.26001	3.6
659.27222	47.8
659.37122	3.1
660.27686	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22535	0.5
56.64419	0.6
57.03447	0.6
59.01385	100.0
60.01705	0.6
61.98835	1.0
70.68155	0.6
71.01385	1.7
71.54730	0.7
72.99343	0.6
75.00877	0.9
85.02971	1.2
89.02469	0.6
95.05040	1.0
96.96006	5.6
101.02467	1.4
107.03795	0.7
111.00942	0.6
113.02461	1.5
119.84705	0.5
122.06118	3.0
124.01666	0.9
135.03015	0.6
136.07692	2.2
139.04024	3.5
152.07156	3.8
157.06638	0.8
161.02493	1.4
162.03149	0.7
164.01178	4.1
175.04118	1.0
175.07715	0.8
177.01961	1.2
178.02673	3.0
179.03522	1.9
193.05112	4.1
219.02756	0.6
229.09781	0.8
239.11986	1.4
251.11833	0.7
297.07660	0.7
306.09195	1.9
317.08401	0.7
319.12930	1.3
333.07614	1.0
334.08652	2.3
336.09814	0.9
349.11020	1.2
351.12543	1.6
361.07254	2.4
362.07941	5.5
363.08640	0.8
367.11734	1.2
377.10303	22.6
378.10843	2.2
395.11346	35.8
396.11853	3.1
397.11716	0.7
448.18729	3.5
465.52679	0.7
536.20880	0.8
583.26099	2.3
627.24994	3.7
628.25354	1.0
659.27582	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	659.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98838	1.6
69.67142	2.4
69.67532	1.3
71.01383	1.8
72.99342	0.8
73.02971	0.9
74.64626	0.5
76.62978	0.5
80.05092	0.5
85.02971	0.9
89.02451	0.8
95.05053	0.8
96.96027	5.7
101.02455	1.0
106.06677	0.5
113.02480	0.6
122.06139	2.2
124.01688	0.7
125.87828	0.6
131.51134	0.5
136.07751	2.1
138.07600	0.5
139.03061	0.5
139.04012	3.1
151.00412	0.5
152.07187	3.2
164.01176	4.6
175.04080	0.6
175.07709	1.0
177.01947	1.4
178.02760	3.2
179.03534	1.2
193.05090	4.2
201.05589	0.8
209.11841	0.5
223.08936	0.9
239.12057	1.3
255.11264	0.6
271.10895	0.8
285.04123	0.7
305.08533	0.8
306.09094	0.8
319.13208	1.5
333.07736	1.1
349.11072	1.4
351.12567	1.0
361.07281	1.7
362.07971	4.2
367.11871	2.7
377.10318	21.9
378.10959	2.5
395.11374	32.1
396.11841	2.5
397.11252	0.6
398.09668	0.7
404.20288	0.8
448.18835	2.8
571.25342	0.7
583.25677	1.5
593.08789	0.6
627.24664	2.9
659.26556	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	659.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15984	1.6
50.65144	1.4
51.09324	1.4
57.03433	2.7
59.01384	100.0
61.98843	8.9
65.00326	2.9
69.03479	1.8
69.46783	9.9
69.47187	2.8
71.01389	9.6
72.99314	1.9
73.02954	3.5
75.00874	2.7
83.25413	1.5
85.02956	5.8
87.00867	4.0
88.98785	1.7
89.02446	3.0
96.96017	56.9
98.95658	2.1
101.02460	4.8
108.02187	1.7
113.02489	2.3
113.99602	2.5
115.00401	3.9
116.92865	2.2
119.05082	2.1
120.04580	2.6
122.06101	8.1
125.02484	2.5
133.41806	1.8
134.06117	2.6
135.02982	1.9
136.07750	2.2
139.03990	2.6
145.09798	2.4
149.06117	2.0
151.00368	1.8
152.07144	6.7
156.00656	3.8
157.01413	2.8
161.02383	1.8
163.07593	1.7
164.01135	3.7
169.55508	1.9
173.06094	1.7
174.01750	9.1
175.02464	8.4
175.03906	2.0
175.07747	1.6
177.01941	2.0
179.03525	1.9
193.05019	3.9
197.11946	2.7
209.11852	9.2
210.12148	3.0
211.13429	3.0
212.13695	1.8
217.05128	16.7
319.12701	2.3
351.21674	2.2
362.07880	2.4
377.10330	14.0
393.09824	18.4
394.10190	2.1
395.11398	26.9
396.11761	2.9
401.17169	1.8
409.22256	1.6
411.10776	3.6
413.14148	2.4
419.18433	2.3
447.24057	2.2
467.22552	2.2
483.25809	4.7
564.23267	2.0
582.23932	1.9
583.25061	2.9
585.23743	7.5
600.78595	1.9
615.38647	5.3
627.23944	4.0
658.34833	2.1
659.25232	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	659.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29683	0.4
59.01387	66.8
60.01714	0.5
70.81034	0.7
90.97150	1.4
106.20232	0.3
112.82793	0.4
118.62131	0.4
132.98210	1.7
141.52477	0.4
150.26753	0.4
157.03618	1.6
174.99258	24.9
192.95859	1.4
201.02573	16.0
202.02740	1.3
217.00316	100.0
218.00615	2.4
218.98343	0.4
298.50107	0.4
299.16794	0.5
306.14725	0.4
343.03799	1.8
359.01492	33.8
360.01770	3.0
374.99258	54.9
375.99582	1.8
469.33469	0.4
501.02649	0.6
517.00397	7.5
518.00299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.0
61.98821	0.3
67.48727	0.2
70.99760	0.3
71.01376	0.9
72.99330	0.2
73.02938	0.3
75.00899	0.2
78.95914	0.3
79.95742	3.5
80.05027	0.2
80.96517	0.4
85.02962	0.4
87.00874	0.2
89.02462	0.5
96.96021	100.0
97.04422	0.2
98.95650	0.2
101.02440	0.4
107.03790	0.3
113.02460	0.5
114.93413	0.8
122.06132	0.9
122.19024	0.2
134.06139	0.5
135.03012	0.2
136.07637	0.2
148.01733	0.4
152.07176	1.7
161.26474	0.2
163.03981	0.3
163.96725	0.2
179.44647	0.2
188.07172	0.7
211.34370	0.2
212.91850	0.2
245.12965	0.3
253.09831	0.4
269.04617	0.3
295.10934	1.6
298.04840	0.7
300.25876	0.2
307.10913	0.6
313.07355	0.8
321.07861	0.2
349.07016	0.3
350.07913	1.0
365.10229	1.3
367.42932	0.2
377.10428	0.8
393.09772	2.1
394.09985	0.3
432.19171	0.2
460.18762	1.5
476.18295	0.2
504.17792	3.5
505.18018	0.2
534.23120	0.2
536.20355	2.4
537.21265	0.3
597.16064	0.5
627.23907	0.3
658.29651	0.2
659.33313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71682	0.5
59.01380	6.6
59.22850	0.6
61.98835	23.4
66.35958	0.5
69.26318	4.4
71.01380	2.2
85.01032	8.5
85.02945	2.5
85.31314	0.5
87.62618	0.5
96.96021	0.8
101.02477	0.7
113.00533	1.7
113.02445	2.1
115.02092	1.0
121.02946	0.7
123.08242	0.6
125.02407	0.7
127.02079	1.8
129.03693	2.5
141.01706	1.7
145.03131	1.1
149.06073	1.7
151.00368	0.6
155.05191	1.4
157.06526	0.6
161.02486	0.8
165.33948	0.5
167.03407	0.6
173.06172	1.0
177.09268	1.1
189.09180	0.6
201.05444	0.6
215.07211	0.6
225.09233	25.2
226.09618	2.4
233.08260	0.8
237.09221	8.4
238.09514	1.0
269.08112	1.3
272.10532	1.1
277.21591	0.8
279.13965	0.7
281.08127	2.3
295.17041	53.2
296.17346	6.5
335.11496	2.7
339.16006	48.9
340.16367	8.0
365.15741	1.0
407.16580	0.8
435.16168	1.6
449.17609	1.0
477.21198	0.6
657.27258	100.0
658.27521	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29493	0.6
59.01384	6.5
59.23670	0.7
61.98848	2.6
71.01398	1.9
71.55206	0.7
80.21909	0.6
83.05042	0.7
87.00888	0.8
89.02413	0.9
96.96008	4.0
101.02463	2.1
106.06663	1.1
107.03722	0.7
108.04604	1.4
108.08212	6.3
113.02460	1.4
121.02945	0.7
121.05356	7.5
122.06146	1.4
123.03308	0.8
124.04050	2.2
134.06155	1.7
135.03281	1.8
135.08160	2.0
136.04108	3.5
136.07697	100.0
137.08044	3.3
139.03995	0.6
150.02019	1.1
150.05605	1.1
152.03490	1.5
153.04338	5.1
168.06664	1.1
171.10306	1.4
183.14095	1.0
209.11807	5.7
211.13426	6.6
227.12880	1.1
235.08549	1.3
248.09593	0.8
249.14799	0.7
251.03607	0.9
253.09322	1.2
255.02982	2.6
263.08429	0.9
264.09052	1.1
265.09872	1.0
275.08261	0.7
277.09891	1.2
279.11179	1.3
283.02676	1.1
283.11053	0.8
284.03281	1.8
290.10574	0.8
291.11514	1.0
295.10840	0.8
327.04968	0.9
330.12192	1.0
340.10736	0.7
342.12805	1.3
343.58768	0.7
354.12805	0.9
356.10370	1.3
358.11978	2.2
358.15817	0.9
370.12057	2.4
371.12720	1.5
372.13693	2.5
383.13571	1.0
384.13599	1.7
386.10706	3.3
386.15622	4.9
390.14923	0.8
398.10904	1.0
399.12186	1.5
400.13147	2.1
401.13712	1.7
402.14703	2.8
403.15305	0.9
404.16110	3.4
412.13034	0.9
414.14499	4.3
417.13428	2.9
426.14227	1.3
429.13153	0.7
430.14108	2.6
432.15622	14.1
433.16113	2.0
444.15491	6.6
445.16104	1.6
446.08423	1.3
446.17279	1.0
463.17480	1.0
464.18369	3.4
470.72546	0.7
492.43658	0.7
521.22339	0.9
531.52362	0.7
538.22626	0.9
540.23328	1.6
548.20947	1.1
551.23090	1.5
553.24597	4.3
563.23029	1.8
566.21960	1.2
581.24115	56.7
582.24542	8.9
613.26660	32.1
614.26855	4.6
625.23090	39.7
626.23376	5.4
627.18915	1.0
639.24609	1.2
657.25745	28.7
657.34845	1.4
658.25983	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	657.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24220	2.8
59.01386	36.9
59.77528	2.9
61.98848	5.6
63.26836	3.0
64.58513	3.0
66.22614	3.1
70.66363	4.4
70.66694	6.6
71.01383	13.2
74.54828	3.2
80.05057	13.3
85.02942	4.3
87.41219	3.2
93.03440	3.5
94.06618	4.3
96.96034	19.4
99.00874	5.7
101.02425	7.0
104.05070	3.5
107.03778	7.0
108.04565	29.4
113.02508	6.0
120.04606	6.2
121.05340	7.4
122.06142	91.7
123.09261	3.5
131.07158	6.3
132.04523	6.0
134.06097	12.8
136.05309	6.0
136.07671	10.8
137.02408	4.3
144.08221	5.5
148.04059	4.8
149.04692	6.2
150.05638	51.8
152.07178	8.5
155.52321	2.7
160.04074	3.8
160.06418	10.0
161.04803	5.6
165.09151	4.2
172.07677	9.7
174.05585	4.6
190.05099	7.4
201.10420	8.4
207.06682	5.2
209.11919	5.6
211.13409	5.5
213.10397	43.7
223.08725	3.8
225.10272	5.4
226.07474	3.4
226.11072	3.9
226.23538	3.2
227.08257	4.5
229.09825	23.6
235.08810	3.6
237.10399	6.7
239.08174	3.1
239.11932	26.1
241.09750	12.0
241.13541	20.8
242.10623	8.3
243.11394	5.9
251.08122	4.4
251.11954	5.9
253.13634	5.8
257.09589	3.4
257.10138	4.2
257.12930	36.4
258.13330	4.2
259.10910	100.0
260.11172	7.6
263.08261	3.7
265.09912	6.9
269.09393	3.7
277.09616	3.1
279.07770	4.0
281.09387	3.2
283.10913	5.5
285.08868	16.6
285.12451	80.0
286.12756	4.9
291.07697	10.8
293.09381	11.0
293.12991	14.6
295.11005	5.3
295.14474	6.6
301.11935	36.6
302.12387	4.2
311.10397	9.7
321.08765	12.5
325.12186	3.6
327.09760	7.2
328.10873	5.8
343.13083	7.2
344.14041	5.7
353.11276	6.2
354.56479	3.3
358.15576	19.2
370.15842	4.7
371.12256	4.0
371.16248	12.5
384.13538	7.0
385.14185	4.5
398.14966	9.0
399.15863	4.0
400.16629	30.3
401.17166	3.4
412.16721	11.5
449.33228	6.6
479.20956	6.0
495.33041	3.5
501.29947	3.3
503.16574	4.8
521.22015	41.6
522.22516	4.5
535.20728	3.9
563.23096	80.2
564.23273	11.7
565.21008	52.0
566.21667	7.9
581.23914	20.2
582.24402	5.6
597.23456	16.8
598.23932	4.1
607.12604	6.3
607.22015	84.3
608.22180	15.1
625.23181	46.5
626.23395	8.3
639.24542	26.2
640.24945	6.3
657.25604	49.8
657.38184	28.4
658.26111	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	657.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37482	0.4
57.03447	0.6
58.02946	0.4
59.01384	5.8
67.01908	0.8
70.21955	2.1
71.01389	1.5
73.02969	0.8
74.63770	0.4
81.03457	0.8
89.02464	1.1
91.14008	0.5
95.05061	0.8
96.96018	3.0
101.02446	0.8
107.01360	0.7
107.03790	0.5
108.04579	0.5
113.02472	0.9
120.04556	2.8
121.05346	2.5
122.06131	6.6
125.02436	4.4
132.04568	0.7
134.06155	1.6
134.12683	0.5
135.06981	1.2
136.07697	11.5
137.02461	0.7
137.90762	0.6
139.03976	0.6
151.00403	1.9
152.07156	2.5
158.02513	0.8
161.07228	1.1
167.03497	3.8
171.11801	1.8
190.05113	3.0
197.04553	1.1
198.09233	1.7
199.09985	1.4
209.11836	1.5
211.13377	0.9
214.12399	10.2
215.12698	0.5
226.07443	1.1
227.08229	1.8
228.08951	1.3
229.09865	4.8
230.11856	3.6
241.09811	7.7
242.10602	16.1
243.10905	0.9
256.12170	1.0
257.12964	82.2
258.13263	5.3
283.10944	0.6
285.03946	1.3
297.14984	0.7
300.11093	0.5
301.11945	100.0
302.12265	7.2
315.15964	0.5
343.15588	1.0
355.12982	5.0
360.86533	0.5
369.13345	2.4
408.91711	0.6
449.16165	0.5
463.22513	0.6
477.15601	0.7
495.16544	3.4
537.17773	1.3
581.24066	0.8
639.20660	0.9
657.21246	3.5
657.38196	1.7
658.21552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34072	0.4
53.38407	0.4
57.39789	0.5
59.01375	1.9
70.72797	1.2
70.78356	0.4
71.01386	2.2
73.02939	1.0
83.01398	0.6
85.02939	1.6
89.02454	1.0
93.03500	0.7
95.01373	1.2
99.00945	0.5
101.02446	1.1
108.02180	46.9
109.02989	14.1
110.18003	0.4
113.02458	0.7
121.02979	0.9
123.00913	1.0
123.04550	0.5
133.02959	0.9
133.32446	0.5
149.04547	1.5
151.03944	1.0
152.01167	45.5
153.01961	20.3
154.02310	0.6
163.04048	1.3
165.01898	1.4
309.11856	0.6
315.07239	100.0
316.07568	6.5
387.89847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70632	0.7
61.98836	100.0
62.73606	0.7
69.65440	2.3
69.65852	2.4
72.07610	0.7
98.20023	1.5
153.86781	0.9
334.04956	0.9
339.16138	1.1
585.08728	0.8
594.59888	0.8
657.36847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.3
61.08778	1.2
61.98837	18.4
69.60285	7.2
71.01394	3.6
72.99321	1.4
73.02938	1.4
83.09958	1.1
85.02989	1.7
89.02433	2.2
96.96011	2.3
101.02481	1.7
106.00866	1.1
107.01366	1.5
109.02999	1.3
151.00314	1.5
158.16615	1.1
159.04575	1.2
163.00374	1.8
163.65698	1.1
184.49689	1.1
185.06024	1.6
187.04047	1.7
190.25269	1.5
190.99728	1.1
211.04099	1.7
213.05687	1.3
227.03523	20.0
229.05128	7.3
229.06976	1.2
240.01064	1.1
241.05019	1.2
255.00290	1.3
255.03017	38.3
256.03531	5.4
257.04544	5.0
284.03299	52.4
285.04050	70.8
286.04413	3.4
364.29855	1.4
397.13168	1.5
404.20532	1.2
463.93402	1.2
593.15131	100.0
594.15430	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	656.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.3
61.08778	1.2
61.98837	18.4
69.60285	7.2
71.01394	3.6
72.99321	1.4
73.02938	1.4
83.09958	1.1
85.02989	1.7
89.02433	2.2
96.96011	2.3
101.02481	1.7
106.00866	1.1
107.01366	1.5
109.02999	1.3
151.00314	1.5
158.16615	1.1
159.04575	1.2
163.00374	1.8
163.65698	1.1
184.49689	1.1
185.06024	1.6
187.04047	1.7
190.25269	1.5
190.99728	1.1
211.04099	1.7
213.05687	1.3
227.03523	20.0
229.05128	7.3
229.06976	1.2
240.01064	1.1
241.05019	1.2
255.00290	1.3
255.03017	38.3
256.03531	5.4
257.04544	5.0
284.03299	52.4
285.04050	70.8
286.04413	3.4
364.29855	1.4
397.13168	1.5
404.20532	1.2
463.93402	1.2
593.15131	100.0
594.15430	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	655.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76320	1.3
51.89643	1.2
52.06133	1.2
55.11544	1.2
59.01385	100.0
61.45845	1.2
61.98837	11.1
64.56403	1.5
71.54684	1.4
83.04999	1.3
92.43090	1.2
96.96023	1.5
103.01890	1.1
105.56080	1.4
125.57450	1.3
126.63012	1.2
141.01720	55.9
152.76509	1.4
209.11810	2.3
275.06189	4.4
277.21552	2.7
293.21143	1.6
317.07297	1.6
330.48331	1.4
335.08591	2.2
391.19711	1.4
420.11282	1.5
462.46588	1.6
535.27539	3.2
655.25482	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	655.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98840	16.5
68.62913	1.9
70.55362	3.3
70.55757	3.9
74.56198	1.7
96.95998	4.9
98.64575	1.8
130.19281	1.7
141.01714	68.4
184.22343	1.9
275.06216	4.1
277.21786	2.9
294.67047	1.8
329.74960	1.9
535.27271	3.3
551.07721	2.4
655.25378	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	1.2
59.01385	22.7
69.47619	7.8
70.03032	1.5
70.62621	0.9
71.01387	17.4
72.99309	2.0
75.00877	4.2
83.01431	1.3
85.01034	3.5
85.02969	4.9
87.00876	9.5
89.02460	15.2
95.01424	1.2
96.96011	1.9
98.19850	1.2
101.02452	15.2
102.02787	1.1
104.00143	1.0
113.02460	8.2
115.00373	1.3
119.03512	7.2
121.02958	2.9
123.04488	1.2
143.05203	1.6
147.04532	3.8
150.09338	0.9
157.03163	1.0
160.01663	1.2
164.07190	7.1
165.05484	1.4
175.04034	1.3
184.96680	1.1
195.05132	1.5
206.08241	12.8
206.29944	1.1
323.13370	6.2
349.13110	3.6
419.13678	4.2
433.15671	1.3
459.08829	1.9
459.15170	1.4
507.21124	1.6
511.18826	1.3
655.26276	100.0
656.26483	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	655.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
58.00617	0.7
58.02972	1.5
59.01384	22.8
60.01702	0.8
69.35342	5.8
70.02947	0.6
71.01386	16.2
72.99290	1.4
73.02952	1.1
75.00887	1.1
83.01398	1.4
85.01031	3.3
85.02956	4.0
87.00885	7.5
89.02451	16.1
95.01386	0.9
96.96002	0.8
99.08154	1.3
101.02454	11.7
105.04343	0.7
113.02476	7.7
119.03497	7.4
121.02979	1.5
123.04506	1.1
135.04550	0.8
143.05219	1.4
147.04506	2.8
160.01714	0.8
161.08199	1.3
163.03969	0.9
164.07208	6.1
175.04015	0.8
175.25734	0.7
183.01067	0.9
187.04280	0.8
206.08240	11.0
239.07286	1.0
257.08304	0.7
302.59225	0.7
323.13522	7.4
324.13867	1.0
349.13120	3.1
419.13617	4.8
433.15552	0.8
535.21191	0.7
600.44049	0.7
612.35107	0.8
655.26312	100.0
656.26617	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	655.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	31.1
61.98585	1.4
61.98839	13.1
69.03452	1.9
69.98940	7.2
71.01384	8.6
73.02924	2.3
80.05064	7.8
83.05006	3.4
85.02952	3.5
87.00883	2.0
89.02445	4.2
94.06627	15.6
96.96041	8.6
98.20483	2.4
101.02451	3.8
104.05065	2.1
106.06632	3.7
108.04559	1.7
113.02432	2.6
120.03765	3.0
120.04565	27.0
121.02984	2.2
122.06133	72.4
123.06509	2.8
130.06561	2.4
132.04520	2.4
134.06139	8.5
138.05629	4.2
142.27448	1.6
148.04079	2.7
149.04469	2.3
150.05594	5.3
150.06848	12.4
151.07649	5.3
160.06445	4.3
161.04518	2.3
163.07693	4.2
164.08395	5.0
168.06641	5.2
174.05574	7.0
179.10762	8.2
191.10765	2.5
209.09911	3.0
209.11852	57.5
210.12166	2.2
211.13518	2.0
213.10365	23.5
215.12003	2.7
223.08806	4.2
225.10289	2.0
227.13004	4.2
237.10306	3.0
239.11909	15.6
241.13493	9.6
249.06673	3.2
251.11783	4.4
253.09297	4.1
263.08206	2.6
265.09802	8.0
267.11383	2.9
281.09381	8.0
281.12466	1.8
283.10925	5.1
285.12454	31.1
293.09290	6.8
293.12991	5.3
294.10010	2.7
295.10788	2.3
309.08780	2.9
313.23764	6.9
325.11957	4.9
326.12918	1.8
328.10889	2.4
343.13159	2.5
344.14035	2.1
350.47333	1.6
356.14099	5.3
356.34494	1.8
358.15591	7.4
369.10791	2.5
370.11758	4.5
370.15570	5.1
372.17261	3.0
382.11557	2.3
383.12637	2.9
384.13458	10.3
385.14069	2.1
397.14368	4.3
398.15244	18.2
400.16754	15.5
410.15057	3.6
412.16565	7.3
412.55005	1.6
444.15637	1.8
445.20682	3.2
448.18817	1.7
458.17310	2.6
491.20746	2.9
492.34454	3.5
493.22687	2.5
493.35413	10.8
507.24268	2.4
533.22186	2.2
535.23682	17.2
536.23450	2.3
537.21088	2.8
551.07007	1.8
551.23230	10.6
561.21478	10.4
562.21838	2.7
567.27252	2.1
577.21106	1.9
579.22510	62.8
580.22656	11.7
595.21875	3.2
595.38062	6.4
605.20587	12.7
611.25122	11.7
613.39539	3.2
620.15289	1.8
623.21539	100.0
624.21906	17.7
637.22485	2.0
655.24463	63.0
655.40454	45.9
656.24359	12.9
656.41156	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	654.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03479	0.8
61.98837	100.0
78.95915	27.8
82.84679	0.8
97.98186	0.7
115.92600	0.7
124.03829	0.8
148.21483	0.8
295.17090	0.9
327.12897	0.9
332.06607	0.8
339.16177	2.1
394.46072	0.8
437.91937	0.9
448.13782	0.8
459.52850	0.8
495.84552	1.0
569.29810	1.2
654.30316	17.7
655.31335	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	654.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13375	1.6
55.83990	1.7
56.98161	2.0
58.00654	1.7
58.68949	1.5
59.01378	20.3
63.44150	1.8
66.38279	1.5
69.34999	13.1
69.35419	4.0
70.02954	1.6
70.53468	1.7
71.01373	16.0
72.99303	1.9
73.02937	2.2
75.00873	4.8
78.21011	1.7
83.01368	2.2
85.02959	2.2
87.00889	6.6
88.04049	64.0
89.02464	7.5
91.05527	2.6
93.03444	1.8
96.96011	7.3
100.93411	2.0
101.02462	4.1
113.02455	3.7
114.01992	4.2
115.00358	10.3
116.92835	5.6
119.03536	2.4
121.02959	2.1
129.01903	2.0
132.03043	100.0
133.03407	2.2
135.04517	4.1
153.01910	1.9
159.04485	2.6
163.03978	4.6
164.07127	4.1
167.82664	1.9
175.04033	2.8
179.10774	2.1
195.05072	7.5
206.08228	9.8
206.35344	1.9
250.07201	78.0
251.07581	2.7
253.05389	2.4
268.03735	25.1
269.04196	30.1
270.04974	5.2
327.08749	2.4
431.09775	31.4
432.10196	73.3
433.10941	9.1
654.23877	10.2
655.15295	7.5
655.25403	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	653.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60899	0.5
55.01798	0.7
57.03357	1.3
57.03595	0.7
57.11755	0.7
59.01253	12.4
59.01589	6.2
60.39992	0.5
61.98730	1.0
71.01239	9.6
71.01686	2.7
71.55315	0.7
72.99184	1.6
73.02792	2.2
75.81246	0.6
81.03333	0.7
83.01235	2.1
85.02793	4.8
85.03336	1.2
87.00742	1.4
88.98684	1.1
89.02283	5.0
95.01277	1.0
96.95840	3.9
101.02269	7.3
101.03001	1.7
113.02250	3.9
116.92664	2.3
116.93385	0.7
119.03343	1.3
125.02298	1.3
134.03647	0.8
135.02774	0.7
148.05353	0.7
149.04341	0.9
149.31006	0.6
152.01039	1.0
160.01489	1.0
171.01955	0.6
175.03806	1.4
245.89653	0.6
267.07129	1.0
304.82635	0.7
311.25513	0.6
313.23746	3.0
332.65298	0.6
339.25406	0.9
341.26965	3.7
359.28064	27.5
360.28180	2.9
373.25571	0.8
473.25650	0.8
491.28488	1.6
503.32108	2.7
520.32050	0.9
521.33337	100.0
522.33643	12.8
564.43170	0.7
593.34821	0.8
653.37750	40.3
654.38232	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	653.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46152	0.4
50.51677	0.4
55.01790	1.0
55.02027	0.6
57.03337	1.3
58.00492	0.6
59.01267	10.2
59.01603	3.3
61.98753	0.6
69.18193	2.8
69.18618	1.8
70.04884	0.4
71.01260	9.2
71.01699	2.0
72.99187	1.2
73.02825	1.5
73.03259	0.7
75.00792	0.9
83.01253	2.1
85.02809	3.5
87.00738	1.4
89.02305	3.9
89.02910	0.6
95.01256	1.1
95.01796	0.5
96.95874	2.0
98.20758	0.7
99.00800	0.5
101.02286	4.9
111.00748	0.7
113.02285	2.7
119.03334	1.2
131.03418	0.5
137.02316	0.5
149.02307	0.5
149.04425	0.7
154.95093	0.4
154.96346	0.4
160.22403	0.5
165.05411	1.1
166.19826	0.4
231.51677	0.5
233.79375	0.4
245.12955	0.4
267.23206	0.5
281.26257	0.4
311.25662	0.8
313.23819	2.3
326.38629	0.4
341.27017	2.6
359.28058	19.4
360.28192	1.5
373.29428	0.4
401.28555	0.4
456.22342	0.4
465.55798	0.4
473.27509	0.8
503.32443	2.4
521.33325	100.0
522.33691	12.7
522.39685	0.3
653.37689	32.5
654.38177	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	653.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11090	0.3
55.01888	1.9
57.03444	1.2
58.00603	2.2
59.01384	41.3
60.01707	0.4
61.98834	1.0
68.99822	0.4
69.03464	2.4
70.08281	0.9
71.01386	35.0
72.99311	2.7
73.02950	6.4
75.00881	0.9
81.03462	1.4
83.01392	4.2
84.81572	0.3
85.02956	7.7
86.00108	0.4
87.00878	9.7
88.84818	0.3
89.02449	32.2
91.04020	0.6
93.03426	0.4
95.01398	3.0
97.02951	5.9
99.00887	2.3
99.04551	0.3
101.02451	29.2
102.75386	0.3
103.00381	0.4
103.03973	0.3
107.01383	0.3
109.02975	0.8
111.00892	0.7
111.04494	1.3
113.02459	15.0
114.02773	0.3
115.04005	0.9
119.03510	9.4
121.02921	0.7
123.00889	0.3
123.04536	0.4
125.02451	13.6
127.04082	0.5
131.03523	1.4
133.05069	1.2
137.02484	0.6
139.04048	1.0
141.01930	0.7
143.03505	6.4
143.60358	0.3
145.07646	0.3
149.04570	1.2
161.04568	7.0
167.03551	0.7
169.05083	0.6
175.07677	0.4
179.05615	6.0
185.04498	0.7
189.07661	0.3
199.06027	0.4
201.05536	0.5
203.05649	0.3
217.07137	1.6
219.06758	1.5
219.16547	0.3
221.06616	2.7
235.08237	14.7
236.08665	0.4
237.22473	0.3
245.06737	0.8
253.09302	3.7
255.23299	100.0
256.23633	6.9
263.07599	1.7
269.24902	0.8
277.09259	0.8
287.07745	4.3
305.08771	3.9
319.36066	0.3
323.09982	1.8
361.11368	0.9
379.12366	0.9
397.13513	85.7
398.13879	6.6
415.14590	33.0
416.15073	2.5
489.18674	0.3
653.38361	0.4
656.99792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53569	0.6
55.01881	1.1
57.03441	1.4
58.00595	1.8
59.01386	42.0
61.98837	1.3
68.99821	0.7
69.03454	1.3
71.01389	35.6
71.55084	0.9
72.99316	2.3
73.02963	5.4
75.00867	0.9
80.96523	0.6
81.03463	2.5
83.01394	4.9
85.02959	9.0
87.00886	9.0
89.02454	31.0
91.04003	0.7
95.01383	2.3
97.02955	6.1
99.00883	2.7
101.02454	27.5
111.04524	0.9
113.02466	13.2
119.03516	9.8
121.02992	0.9
125.02457	11.7
127.04020	0.7
131.03546	1.4
133.05119	0.9
139.03990	0.8
141.01942	0.8
143.03519	5.7
149.04611	1.2
149.11800	0.6
161.04587	6.8
167.03474	1.0
179.05655	5.0
217.07237	0.8
221.06705	2.3
235.08257	13.9
236.08661	0.7
253.09294	4.7
255.23314	100.0
256.23621	6.9
263.07831	1.4
269.24792	0.8
277.09311	1.1
287.07767	2.9
305.08731	3.3
323.09683	2.1
379.12186	1.0
397.13516	80.9
398.13742	5.5
409.20181	0.6
415.14603	31.9
416.14990	2.2
524.54102	0.7
631.10809	0.6
653.26239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03440	1.3
59.01384	19.6
60.01682	1.0
61.41541	0.7
61.98545	1.1
61.98836	19.4
63.02395	1.7
65.00323	1.5
65.32141	0.6
66.33868	0.6
68.50485	0.6
69.33765	6.4
71.01007	1.1
71.01391	13.9
72.99316	1.1
73.02957	4.2
75.00892	5.2
83.01381	3.2
84.35927	0.7
85.02982	5.4
87.00883	1.6
87.04489	0.7
88.98830	0.7
89.02448	6.7
95.01371	1.0
96.96054	4.2
99.00885	1.2
101.02461	8.9
106.80077	0.7
107.01396	2.3
109.02972	1.8
113.02444	4.8
115.94056	0.7
116.92807	0.7
119.03496	2.0
121.02970	1.9
125.09704	1.5
127.11147	0.8
133.02959	5.8
134.03696	1.3
135.02968	1.1
135.04578	1.0
143.03580	0.9
143.08745	0.7
148.01617	0.9
149.02440	3.1
149.04518	0.8
150.03220	2.2
151.00389	4.5
153.01895	1.6
161.04555	1.2
163.03940	0.8
164.04800	1.0
165.05595	1.2
171.10269	4.0
175.00389	5.3
175.03990	4.0
176.01172	6.9
185.11813	1.0
190.02716	8.6
191.03506	7.0
192.48741	0.7
194.02205	1.2
197.76772	0.7
199.03978	1.9
201.01964	1.1
205.05116	5.0
209.04527	2.0
213.05428	0.9
213.09241	1.4
215.03334	0.8
217.05035	1.2
227.03520	1.5
241.04817	1.0
255.02954	2.3
256.03787	2.6
284.03281	42.7
285.04062	100.0
286.04504	6.9
297.04053	0.8
299.05676	21.7
300.05997	1.7
327.21652	1.0
331.92892	0.9
353.08786	13.2
354.08929	1.1
355.24933	4.6
373.25943	16.3
374.26352	1.2
393.11713	1.0
473.24432	0.8
491.13583	2.0
517.29993	3.4
535.31281	85.6
536.31592	9.4
648.64404	0.8
653.15356	65.8
653.33752	65.8
654.15723	12.0
654.34143	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	653.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42103	0.4
57.03447	0.5
59.01386	8.5
70.66489	0.6
70.66830	0.9
71.01384	3.9
71.21866	0.4
72.99313	0.6
73.02951	1.1
75.00877	1.4
83.79608	0.4
85.02966	2.3
87.00877	0.6
88.04050	2.9
88.98784	0.7
89.02457	2.4
91.01868	0.5
95.01405	0.5
96.96014	1.2
99.00876	0.8
101.02444	2.1
109.02934	0.9
113.02453	2.6
115.00371	0.8
117.01934	0.4
119.03500	1.2
132.02161	1.0
132.03035	3.5
135.00890	1.2
135.04507	0.6
149.02408	0.5
149.04483	0.8
151.00398	0.7
161.04616	0.9
164.65030	0.4
175.04018	0.7
179.05637	0.8
179.10753	1.7
181.92462	0.5
195.04849	0.6
197.06201	0.5
211.03964	1.1
212.04832	0.4
223.04077	0.9
224.04764	1.6
226.02678	0.8
239.03426	3.5
240.04248	1.5
249.06133	1.2
250.07266	3.2
252.04395	0.7
267.02997	4.7
268.03766	45.4
269.04382	8.4
271.08438	1.4
281.04514	0.8
282.05692	0.4
283.06076	0.5
311.05627	2.5
429.17667	0.6
431.09818	100.0
432.10165	9.4
447.13113	0.5
473.10895	2.4
473.16754	1.6
491.11945	0.8
516.37152	0.4
520.20746	0.5
653.23346	8.9
654.23663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75121	0.6
53.20213	0.6
54.92160	0.6
55.01882	1.4
57.03439	2.2
57.86065	0.6
58.00600	1.5
59.01385	29.4
67.01887	0.7
68.99801	0.6
69.03445	0.9
69.57985	1.2
69.58389	3.3
71.01015	1.1
71.01390	19.1
72.99341	3.5
73.02942	1.3
75.00884	9.0
83.01385	1.5
85.02959	11.1
87.00873	3.9
89.02456	9.3
93.03458	1.1
95.01413	3.9
96.96010	1.1
99.00903	7.2
99.04517	0.7
101.02444	3.9
103.00395	1.4
109.02938	1.0
113.02464	15.5
115.00391	1.8
117.01930	1.2
119.03510	2.1
124.05314	0.7
129.01883	1.2
133.10184	0.9
135.11794	2.8
161.09631	1.3
175.02455	1.8
179.10794	13.9
198.95476	0.6
223.09753	2.4
231.05107	1.8
237.67247	0.6
249.06174	13.6
267.07275	7.0
429.17685	7.6
473.16653	17.4
474.17261	2.0
491.11719	0.9
578.85437	0.8
635.22131	0.9
653.23041	100.0
654.23383	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	653.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41783	1.0
57.03438	2.9
58.00579	1.5
59.01385	33.9
63.73602	0.9
65.00299	1.0
67.01871	1.4
67.15902	0.9
68.99816	2.8
69.03455	2.1
69.50905	4.4
69.51321	3.2
71.01392	23.7
72.99315	5.1
73.02943	2.6
75.00873	11.0
83.01388	1.7
85.02959	17.9
87.00890	5.9
89.02455	9.5
95.01395	4.8
96.96008	1.7
97.02939	1.2
99.00889	7.6
99.04527	1.4
101.02449	5.4
103.00388	1.4
107.01429	1.7
108.02172	1.1
111.00867	1.7
113.01726	1.6
113.02465	19.4
115.00365	1.5
117.01955	2.1
119.03495	1.4
120.02407	1.0
121.02953	4.0
122.03733	1.3
129.01945	1.8
133.02959	2.2
134.03780	11.9
135.04572	6.2
135.11807	3.5
137.02406	1.6
139.00340	1.5
143.03561	1.2
149.02464	6.0
149.06062	2.9
150.03230	13.6
151.00363	8.2
151.04054	2.3
152.01178	1.4
157.01437	1.0
160.01659	4.4
161.09769	2.0
161.67847	1.2
165.05592	9.5
169.05031	1.1
175.02603	1.7
175.03920	5.2
178.02704	2.0
179.03476	1.2
179.10817	17.2
180.04237	1.4
181.05118	2.0
193.05080	8.9
195.06657	2.8
197.28601	1.0
223.09834	2.9
231.05069	2.5
241.09854	1.4
249.06160	13.0
263.07684	4.8
267.07144	6.0
269.12967	1.3
271.02481	3.5
281.08710	1.4
282.09186	1.1
287.05621	5.5
300.02734	5.4
301.03333	1.7
327.05307	1.1
341.10226	1.9
381.11752	3.0
407.94626	1.2
411.16400	1.1
425.10886	1.5
429.17532	6.8
455.15601	1.4
456.12598	2.0
457.13318	3.3
473.16696	26.4
474.17099	3.5
491.11911	1.7
575.25189	1.4
586.55450	1.1
617.25989	4.4
653.22723	100.0
654.23193	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	653.1728
Annotation	Clemochinenoside B
Peak:m/z	Relative Intensity
55.01870	0.6
57.03454	0.6
59.01386	5.2
71.01391	5.8
71.54684	0.8
72.99325	1.4
73.02951	2.0
75.00893	1.0
83.01383	0.7
85.02972	3.1
85.25553	0.5
87.00875	0.9
89.02451	2.6
93.03484	0.8
95.01405	1.4
96.96016	1.2
97.02946	0.5
99.00889	1.9
101.02452	2.1
107.90482	0.5
108.02186	57.2
109.02984	12.7
113.02466	2.4
119.05001	0.6
121.02952	5.4
123.00902	0.6
123.04554	0.7
125.02510	0.6
132.02205	0.8
133.02927	1.2
134.03737	1.2
135.00893	1.1
135.04538	1.2
137.02429	0.7
147.04495	1.7
149.02458	20.6
149.04492	1.0
150.03242	5.9
151.00412	0.7
151.03995	1.7
152.01164	100.0
153.01971	4.9
159.03043	0.5
160.01723	0.9
161.02515	0.6
161.04564	1.6
163.04018	5.2
163.07730	0.5
164.04819	11.6
165.01970	0.8
165.05580	2.6
166.02695	0.7
166.40721	0.5
167.03575	1.3
175.00404	1.0
175.04027	1.4
176.01135	2.0
177.01889	0.5
179.03459	1.4
179.07182	0.8
181.05107	0.7
190.02716	2.2
191.03506	4.5
193.05128	0.6
194.02225	1.5
195.05026	0.6
205.05064	2.4
208.03810	0.6
209.04558	10.0
223.04044	0.9
223.06125	7.1
255.60416	0.5
271.08221	0.6
297.06415	0.5
315.07391	1.1
396.28165	0.5
424.32239	0.6
429.10419	12.9
430.10773	1.0
447.11462	36.6
448.11548	3.9
461.13141	0.9
521.22040	1.1
653.17224	70.3
654.17529	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	653.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
56.18206	0.4
57.03453	0.9
59.01107	0.7
59.01384	8.5
61.98830	1.6
63.02404	1.9
65.00343	1.0
69.29527	3.4
71.01389	6.7
72.99304	0.5
73.02947	1.7
75.00874	2.6
83.01400	2.2
85.02972	1.9
87.00887	0.8
89.02466	2.9
93.03453	0.5
95.01391	0.6
96.71501	0.3
96.96022	1.8
98.20622	0.7
99.00900	0.7
101.02457	3.7
105.03506	0.5
107.01397	2.9
109.02987	1.4
113.02509	1.9
119.01362	1.2
119.03551	0.6
121.02941	1.8
125.09763	0.7
133.02975	6.5
134.03831	0.8
135.03027	0.5
135.04546	0.6
147.00864	1.1
147.04567	0.5
148.01672	1.0
149.02464	3.7
150.03256	2.4
151.00388	5.5
152.01172	0.7
153.01904	0.4
153.09567	0.4
159.04573	0.4
160.01680	0.5
161.02425	0.7
163.04001	1.0
164.04739	1.1
165.04100	0.9
165.05487	1.0
171.10312	2.2
175.00392	4.4
175.04008	2.8
176.01178	7.0
177.01843	1.0
185.05977	0.8
190.02739	10.1
191.03511	9.0
194.02208	0.6
197.06151	0.6
199.04051	2.3
201.01955	0.9
205.05051	5.0
207.02893	0.5
209.04503	2.3
211.04027	0.9
213.05519	0.6
217.05049	1.1
227.03516	1.4
239.03539	0.6
241.05095	0.6
243.03098	0.6
251.05675	1.1
255.03027	1.8
256.03790	2.9
257.04514	1.2
267.02963	0.6
269.04480	0.4
283.02518	0.7
284.03287	45.4
285.04068	100.0
286.04425	6.4
297.04062	0.9
299.05624	21.4
300.05957	0.9
327.05167	0.7
327.21942	0.4
338.06339	0.5
353.08807	13.9
354.09363	0.9
355.24680	1.9
371.24719	0.4
373.26031	6.4
387.42462	0.4
473.25638	0.8
491.13461	1.9
510.52441	0.5
517.30334	1.1
520.32330	0.6
535.31311	31.5
536.31793	1.1
611.32715	0.5
653.15240	72.6
653.33337	23.9
654.15460	10.4
654.33972	1.2
664.36298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.9188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20462	0.4
59.01110	0.7
59.01385	9.4
59.22059	0.5
81.29749	0.4
87.57878	0.5
96.96030	1.0
98.19805	0.6
110.98541	0.5
112.70106	0.4
134.96118	2.3
136.94019	8.8
137.94081	0.8
150.94902	0.5
152.91782	33.3
167.90469	1.9
174.99261	1.2
178.93506	0.9
178.95081	15.0
179.95235	1.0
192.95818	1.0
194.92824	77.3
194.95679	1.9
195.93155	0.9
201.02571	4.9
202.02774	0.8
212.93855	5.5
217.00282	6.0
226.88591	11.1
252.91812	0.7
254.88197	0.8
266.91635	0.9
268.89645	20.7
268.92538	1.0
273.03577	0.6
288.83264	1.1
292.94885	1.4
294.92957	4.4
296.89117	1.1
308.92688	0.7
310.90707	53.3
311.90936	1.1
312.88730	0.6
330.84201	1.3
336.93970	16.8
337.94119	1.8
350.94791	0.6
352.91739	100.0
353.92136	3.0
359.01334	1.1
380.32904	0.5
404.81012	0.6
494.92911	17.9
495.93143	2.0
510.90668	77.9
511.91226	3.8
583.47992	0.4
652.91809	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	651.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.5
68.82276	0.5
70.71458	1.4
71.01389	5.8
73.02929	0.6
85.02934	0.7
89.02479	1.2
91.05518	0.6
93.03469	11.0
96.88905	0.5
96.96023	1.5
101.02466	1.2
106.04266	0.9
107.05032	0.5
108.02176	0.7
113.02451	1.2
115.00397	2.3
117.03490	0.5
119.05042	62.5
120.05389	2.0
130.06627	0.4
131.05032	0.8
132.05826	2.4
133.06595	2.0
137.72453	0.5
143.57886	0.5
145.06616	3.0
147.04512	1.6
149.04549	1.7
163.04024	37.8
164.04359	1.4
165.01958	0.5
177.05571	8.8
183.08109	0.5
200.84410	0.5
210.06882	18.5
211.07657	100.0
212.07988	6.1
228.77969	0.5
237.09238	5.4
238.09660	0.8
239.10797	17.4
240.11151	1.3
251.89818	0.5
253.08769	1.9
283.09772	22.9
284.10162	1.8
323.13553	2.0
327.08774	2.3
339.07196	1.0
373.12881	1.7
445.15070	2.2
472.44983	0.6
489.14200	4.0
501.12442	0.6
597.77081	0.6
651.19366	59.7
652.19714	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	652.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87897	1.1
57.03461	1.2
58.02982	8.9
59.01376	8.2
69.23072	1.2
70.02988	4.7
70.12669	5.6
71.01386	7.0
72.00923	3.2
72.99311	1.3
73.02959	1.5
75.00901	1.3
80.87450	1.0
82.40392	1.3
85.02956	2.2
87.00871	1.1
89.02453	4.2
91.05547	3.5
96.96014	7.8
99.00881	2.0
101.02454	3.7
113.02471	3.8
119.04996	1.1
121.02905	1.0
128.73604	1.0
131.07205	2.3
131.10500	1.1
137.02470	1.8
139.07689	1.1
146.20158	1.2
147.04520	16.8
159.06595	1.1
163.04034	1.3
164.07175	54.3
165.05647	1.0
165.07555	2.8
169.20601	1.0
175.04118	1.3
195.05142	2.2
206.08228	100.0
207.08540	4.6
234.68388	1.3
255.03052	1.8
256.03253	2.0
271.02554	1.3
283.02448	4.9
284.02859	4.0
285.03952	4.9
286.04361	3.6
300.02179	1.7
330.65558	1.3
447.09100	3.4
486.38257	1.4
490.11002	2.2
532.24432	1.6
652.15338	5.5
652.25134	3.0
653.23181	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	650.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04542	0.2
57.03466	0.3
57.50290	0.2
59.01383	4.0
60.55608	0.3
61.98839	0.4
71.01388	1.7
72.99309	1.1
73.02956	0.5
75.00868	0.3
80.70235	0.2
83.01377	0.3
85.02968	1.0
87.00895	0.5
88.98859	0.3
89.02457	1.2
89.03978	2.0
93.03454	0.3
96.96024	1.2
98.20754	0.5
99.00849	0.3
99.04568	0.3
101.02463	1.0
106.04253	0.4
108.02182	7.5
111.00925	0.3
113.02464	1.3
117.03479	4.2
119.03496	0.3
121.02995	0.7
125.02415	0.2
132.02179	3.2
133.02966	0.5
134.03755	80.8
135.04066	2.7
137.02455	2.7
138.01981	84.5
139.02333	2.2
139.04015	0.7
149.04677	0.4
149.06096	8.1
150.06442	0.4
160.01668	7.7
160.47424	0.2
161.04572	0.3
175.04010	10.4
176.04410	0.2
178.02721	9.1
179.03079	0.4
180.03035	0.6
192.41862	0.2
193.05063	100.0
194.05386	4.3
283.05750	0.3
306.94138	0.2
313.07071	0.3
346.06699	0.2
351.79269	0.3
355.24915	0.2
414.10403	4.5
415.10840	0.3
432.11618	0.3
456.11298	0.6
474.12524	2.4
517.29889	0.9
518.30737	0.4
519.31372	0.7
546.36975	0.3
631.74927	0.3
649.36005	0.5
650.17157	0.8
651.36383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61587	0.4
61.98843	0.4
66.95489	0.4
67.01901	0.5
70.09402	1.5
82.27594	0.4
93.03461	0.6
98.20597	0.5
107.05038	5.7
119.05071	1.1
127.08151	0.4
135.04533	8.4
143.05128	0.4
143.80762	0.4
147.04683	0.4
148.43425	0.4
149.02457	0.8
157.06596	5.9
159.04549	1.6
159.08238	0.7
161.02542	0.5
161.06120	0.8
169.06679	0.4
171.08243	0.8
173.06129	0.6
175.07652	3.4
177.02014	1.1
177.12889	1.2
183.08209	0.4
185.09801	0.5
187.04050	1.4
187.07678	1.3
188.04573	0.4
189.09303	0.7
195.08121	0.6
199.07613	0.7
201.05624	5.2
201.09242	0.5
203.07150	0.7
208.24706	0.4
211.07649	2.2
212.08440	1.6
213.09242	1.2
215.07132	2.6
219.06570	2.3
223.07755	0.7
225.09219	7.3
226.09973	4.7
227.07162	2.4
227.10780	1.2
229.05095	1.2
231.06595	0.5
235.07584	0.9
237.05644	1.9
237.09242	1.0
238.10056	0.4
239.07066	0.5
239.10736	0.7
241.08739	1.6
243.06635	1.5
251.07188	1.0
255.06648	15.8
256.07150	1.4
261.12836	2.4
263.07080	2.7
263.10693	0.4
264.07901	0.9
265.08759	0.6
267.08392	1.6
269.08237	0.7
273.12778	0.7
275.07401	0.4
277.08765	1.4
277.12357	0.5
279.13925	0.5
291.10129	0.4
295.17081	1.1
305.11868	0.7
305.19196	5.0
306.19495	0.7
317.11865	1.0
327.10410	0.6
331.13153	0.5
331.20645	4.0
332.21124	0.4
339.16074	1.8
340.05942	0.4
349.21744	20.5
350.21957	1.7
361.21747	0.8
365.15848	1.2
373.21768	1.4
375.19626	31.0
376.20038	3.7
387.19617	1.4
393.20737	100.0
394.21060	11.0
399.19745	0.6
401.16086	0.5
401.21252	8.3
402.21271	0.8
405.20944	0.7
415.19080	2.9
417.20715	4.0
445.17340	0.4
517.27417	0.6
543.18152	0.5
545.27283	0.8
587.27838	1.1
591.18915	0.7
605.29156	1.1
617.23676	2.1
631.27002	32.9
632.27386	6.1
633.22900	0.5
649.26813	22.1
650.26843	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	649.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90187	1.7
56.09913	2.2
57.68926	2.4
59.01376	16.5
61.98820	7.1
77.63546	2.0
88.69168	2.5
98.19743	4.2
107.05045	2.7
121.02953	2.8
133.02940	2.1
134.03690	2.8
149.02567	2.5
151.16411	2.0
157.06631	4.1
159.04556	2.6
159.08176	5.0
160.78062	1.9
161.02460	2.8
163.77232	2.2
174.03168	3.7
175.07652	4.9
177.09230	2.1
177.12875	3.2
179.08691	3.0
189.09143	2.5
201.05545	4.2
202.02711	8.0
203.07155	23.4
204.07506	2.4
205.08710	3.3
206.02242	2.3
209.06082	2.6
209.11916	2.5
210.06880	3.4
221.08182	19.6
223.07701	22.5
224.08165	5.2
225.09232	4.3
229.08687	3.0
229.91345	2.0
231.06622	39.3
233.08249	4.0
234.01759	4.9
235.07687	2.4
238.09781	2.4
245.08142	4.8
257.08206	100.0
258.08533	5.2
264.07840	4.0
275.07227	4.3
275.10458	3.1
277.77155	2.5
283.06064	2.6
285.09186	2.3
287.07138	2.4
287.10419	2.3
295.17227	3.3
303.10370	3.9
304.10886	6.9
339.16080	2.6
347.20209	24.2
348.20407	2.7
371.20142	6.2
373.18088	16.2
374.18411	2.2
391.19208	92.9
392.19534	9.8
399.19736	16.6
403.19131	3.7
415.19037	7.6
417.20465	10.5
506.40817	2.3
587.28760	2.7
603.27240	7.2
605.29132	3.6
631.27118	50.2
632.27252	7.3
649.28058	27.9
649.39380	10.0
650.27972	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	649.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.5
55.61389	0.8
57.03444	2.7
58.00586	2.3
59.01385	62.1
69.69463	5.6
71.01386	37.9
72.99295	3.4
73.02951	6.8
75.00847	1.2
79.05561	1.4
83.01381	4.6
85.02957	14.4
87.00866	3.2
87.01399	0.9
89.02454	24.5
89.45891	0.9
95.01395	3.5
95.05021	1.6
96.96011	8.1
97.02975	1.4
99.00896	3.0
99.04510	3.3
101.01812	1.5
101.02455	26.7
107.04987	1.5
111.00842	1.4
111.04520	1.1
113.02456	14.4
119.03532	8.4
125.02435	1.0
131.03496	1.8
133.06548	1.5
134.03749	1.4
135.04556	1.6
143.03499	1.9
149.04518	1.6
157.06541	1.1
159.03032	1.5
159.11827	1.5
161.04559	9.4
161.09709	2.5
161.13379	17.6
162.05499	1.2
165.04102	2.2
172.08966	1.1
174.01611	1.2
179.05621	2.0
187.11298	42.9
188.11624	3.0
205.12346	19.7
228.09009	1.0
229.12389	2.7
231.10245	5.0
236.72856	1.2
237.09789	19.6
249.11342	5.4
250.11673	1.2
315.56958	1.0
411.16653	1.8
425.21680	6.8
469.20792	100.0
470.21207	13.7
473.23846	1.7
631.24316	1.4
649.27081	51.8
650.27466	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	649.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27285	1.1
55.01879	1.9
57.03442	6.0
57.77398	1.1
58.00591	2.8
59.01386	60.0
62.89428	1.1
69.04926	1.2
69.14939	1.1
69.40335	9.9
71.01389	44.2
72.99348	2.9
73.02952	8.5
75.00878	3.3
79.05541	2.7
81.03452	1.7
83.01390	5.3
85.02964	15.7
87.00893	3.1
89.02460	25.5
93.03451	1.4
95.01414	3.6
95.05028	1.9
96.96021	12.7
97.02942	1.8
98.20627	1.7
99.00891	3.6
99.04524	6.3
101.02457	25.9
107.05075	2.1
113.02462	16.9
117.03490	1.7
119.03531	8.8
119.05000	7.8
125.02430	1.6
129.02011	1.7
134.03757	2.7
135.04541	7.7
137.02402	1.5
145.02980	8.9
149.04579	2.8
149.06053	2.7
152.07185	1.5
159.11763	2.3
161.04601	10.0
161.09721	2.9
161.13374	24.0
162.13649	1.3
163.04010	5.1
165.04050	1.5
169.10258	1.8
172.08952	1.5
177.04077	4.9
179.03516	8.6
179.05621	2.1
187.11308	51.7
188.11688	2.8
193.05054	3.9
198.29135	1.2
205.12357	25.8
205.14308	1.5
206.12579	1.5
229.12328	2.9
231.10303	3.3
237.09811	24.1
249.11292	6.1
307.08337	1.4
323.07730	1.9
337.09271	1.6
411.12439	1.5
425.21982	11.4
469.20807	100.0
470.21054	10.4
471.13071	3.2
503.14209	2.1
517.23566	1.6
531.27631	1.3
633.35254	1.3
649.17792	6.4
649.27203	51.5
650.27765	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	649.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91726	1.6
57.03436	5.7
59.01386	72.1
69.25897	10.6
69.26326	6.6
70.44527	2.0
71.01391	49.1
72.99313	6.5
73.02944	8.8
75.00887	10.1
83.01399	3.7
85.02950	16.9
87.00890	5.5
89.02457	29.0
95.01421	2.7
95.05065	3.2
96.96031	10.9
99.00882	3.2
99.04529	4.8
101.02453	31.3
109.02894	1.9
113.02451	20.2
119.03525	10.3
119.05011	6.1
119.28596	2.0
125.02428	3.4
131.03468	2.5
135.04532	6.9
136.24503	1.8
137.02411	1.9
143.03481	2.4
149.04573	4.2
149.06136	1.9
150.03180	1.9
159.03040	1.9
159.11746	1.7
161.04526	9.7
161.13361	23.1
163.04033	5.2
165.04120	4.2
165.05563	5.1
171.08133	2.4
175.04008	2.4
179.03513	5.8
179.05684	2.5
187.11308	56.0
188.11655	4.7
189.05701	2.6
190.44576	1.9
193.05048	2.0
195.06613	3.2
205.12358	30.7
207.06615	2.5
229.12421	2.9
231.10257	4.4
237.06262	4.2
237.09811	25.8
249.06140	2.9
249.11295	7.6
267.07281	3.8
425.22336	9.7
427.14194	1.9
469.20862	100.0
470.21368	9.6
503.14590	2.5
531.20581	4.1
649.27087	57.2
650.27240	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26779	0.6
55.20047	0.5
59.01390	0.8
61.98833	1.5
66.05479	0.5
67.54720	0.6
69.54603	0.6
70.60424	1.4
91.40872	0.5
110.75002	0.6
149.02477	0.7
159.04489	1.7
163.05283	0.6
175.00439	0.7
177.01967	7.3
177.03568	1.4
178.02347	0.6
215.07066	0.7
225.09218	0.7
237.05750	1.2
239.07101	1.1
266.08438	0.6
267.08536	12.4
283.07706	0.7
295.17111	0.7
297.09406	1.5
307.07828	1.0
311.07361	1.5
327.10486	5.9
339.15967	0.9
344.84064	0.7
349.21735	0.8
365.15720	6.1
366.16190	0.6
373.21573	1.2
393.20499	0.9
406.96716	0.6
410.20804	0.8
417.20718	2.7
418.21075	0.7
513.55255	0.7
527.18610	1.4
543.18231	4.4
547.14838	0.9
579.18365	2.6
590.19684	0.8
591.18549	4.9
605.22931	1.8
631.26288	1.0
633.23090	4.2
649.26263	100.0
650.26532	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	649.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70162	2.7
58.50753	2.8
59.01385	72.1
60.99319	3.4
69.69096	14.4
71.01385	29.2
73.02946	5.9
73.48793	2.5
83.01385	3.2
85.02959	13.8
87.00890	3.1
88.98811	25.4
89.02452	21.1
96.96021	11.4
99.62703	3.0
101.02451	11.4
113.02460	14.7
119.03492	6.5
133.02986	4.9
135.04567	4.8
139.38708	2.6
157.06561	3.8
161.02448	21.2
161.04527	4.1
176.04776	3.0
177.01869	15.8
179.05525	3.3
189.05388	3.3
191.03687	3.2
192.04234	13.3
201.59570	3.6
205.05150	5.2
207.06573	11.1
217.05046	11.5
314.26169	3.1
323.05780	5.1
351.08786	4.0
353.10382	5.0
379.07880	4.8
394.10526	6.5
409.12912	84.3
410.13120	8.6
427.14029	7.4
452.01001	3.0
501.23325	4.6
517.29730	3.6
531.27673	3.8
559.17999	4.4
572.29602	3.0
589.19342	100.0
590.19464	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	649.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66079	0.9
55.09131	1.1
58.02962	1.0
68.99828	15.6
70.02978	2.9
72.00890	1.1
74.02485	13.1
80.05064	18.4
82.42197	0.9
84.83591	0.9
93.87176	1.1
98.02486	3.1
98.19872	2.9
104.05090	2.5
107.03740	1.5
108.04608	1.2
116.03522	4.0
116.05090	5.3
122.06126	15.8
132.04570	100.0
133.04887	2.5
134.06134	2.3
142.06641	1.3
144.04562	4.7
150.05615	28.8
152.07187	54.1
153.07526	2.7
159.09375	1.6
162.05554	1.2
203.08319	13.7
204.08583	1.2
245.09331	33.1
246.09662	2.1
273.12506	1.1
297.12463	54.8
298.12772	4.2
315.13538	51.4
316.13763	3.4
359.12543	30.1
360.12839	2.4
618.59009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53845	1.0
51.52689	1.0
59.01392	1.1
61.98829	1.5
63.00007	1.1
66.41610	1.0
69.53829	3.2
69.54255	4.4
75.09150	0.9
85.83675	1.1
101.06011	1.0
107.05054	2.1
119.05038	3.5
126.11049	1.1
129.18315	1.0
135.04555	5.5
143.05017	1.7
143.27573	0.9
149.02434	2.1
157.06578	2.7
159.08138	2.6
161.64015	1.0
169.06633	1.1
171.08301	1.1
175.07622	2.0
185.09747	1.6
196.30420	1.0
201.05557	1.6
203.07179	1.8
215.07027	2.3
223.07704	1.9
225.09268	3.4
226.09940	2.5
227.14426	1.4
237.09290	1.7
239.10759	1.2
251.07108	3.3
252.07611	1.7
261.12836	6.8
263.07108	4.2
264.07678	1.7
265.08636	1.1
277.12357	2.9
285.07697	1.1
295.17404	1.2
305.11710	2.5
305.19141	12.7
319.13483	2.4
331.20624	5.4
337.06982	1.0
349.21762	9.8
366.72888	1.1
373.18253	1.6
374.18335	2.1
375.19656	100.0
376.20056	11.6
391.19128	9.5
392.19482	2.7
393.20740	63.2
394.21030	6.8
395.21552	1.5
407.18643	11.6
408.18561	1.3
409.20154	3.8
524.68732	1.0
611.37390	2.5
616.23547	1.2
629.25739	1.5
647.24719	4.7
647.40057	9.8
648.26398	7.4
648.39722	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	647.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49343	1.0
59.01376	2.0
60.02379	1.1
61.98844	2.5
64.30240	1.0
70.48562	3.4
74.30738	0.9
79.05553	1.0
85.97800	0.9
98.17986	1.0
99.38204	1.0
106.04257	1.3
107.05045	2.8
119.05042	3.8
121.02962	1.5
135.04520	6.6
157.06601	3.4
159.08202	2.2
171.08122	1.0
173.06157	1.3
183.08124	1.3
201.05640	1.2
203.07147	3.0
213.09158	1.3
215.07043	2.0
223.07564	1.5
225.09262	6.5
226.09966	2.6
227.10774	1.0
237.09232	2.8
247.11481	1.0
251.07085	3.3
261.12866	7.0
265.08612	1.2
305.11502	4.1
305.18997	9.9
306.19498	1.6
324.06580	1.0
325.08655	1.2
331.20663	4.4
349.21811	10.5
373.18097	3.0
374.18341	2.9
375.19644	100.0
376.19937	11.7
391.19287	6.2
392.19427	2.5
393.20737	69.2
394.21103	7.1
409.20334	8.9
462.54654	1.2
530.25580	1.1
629.26172	1.4
647.25006	15.1
647.39410	13.2
648.25806	3.0
648.39655	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	647.396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98807	0.9
71.46757	1.2
89.86556	0.7
91.01909	0.8
96.95995	0.7
101.06094	1.0
106.04193	0.8
107.05039	1.1
119.05048	4.0
119.11718	0.7
121.02980	0.9
121.06611	0.9
134.25981	0.6
143.05019	0.9
149.02435	0.7
157.06595	4.9
159.04526	2.8
159.08144	1.7
161.02478	2.1
169.06647	0.7
171.08179	1.1
173.02502	1.0
175.07707	1.5
182.07384	1.2
183.08191	1.4
185.09879	1.0
191.39824	0.7
195.08118	1.1
201.05583	2.0
203.07147	1.5
208.08789	0.8
209.09709	1.7
211.07626	0.9
213.09235	1.7
215.07138	1.7
223.07677	1.2
225.09242	2.8
226.09782	1.1
237.09242	2.3
239.10822	2.2
242.09558	0.9
247.11272	1.5
249.09184	0.9
249.12936	1.0
251.07153	1.8
251.14404	2.6
252.94690	0.7
253.08778	1.5
261.12909	4.8
262.13672	0.7
263.07086	1.3
263.14450	1.5
265.08698	2.2
277.12930	0.6
277.15973	4.4
279.13953	1.2
281.08249	4.3
305.11819	1.6
305.19107	5.2
306.19678	0.8
321.14905	1.9
325.08713	0.7
331.20676	1.6
339.16156	0.8
339.19751	2.8
347.20242	1.0
365.15710	1.2
365.21185	2.0
373.21747	3.0
375.19684	46.4
376.20139	6.7
377.20355	0.7
391.19241	4.8
392.19531	1.9
393.20651	10.4
394.20801	0.8
408.19089	0.9
409.20227	100.0
410.20505	11.3
417.20767	4.3
427.21265	1.4
615.22211	1.4
629.25537	1.8
647.25208	11.0
647.39526	8.1
648.26190	4.3
648.39404	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	647.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
58.00594	1.1
59.01385	31.3
59.21879	0.5
64.68941	0.7
71.01389	17.8
71.24964	0.7
72.99303	1.0
81.79888	0.7
83.01377	0.7
85.02946	3.1
87.00933	0.7
89.02451	22.7
96.96004	1.8
101.02452	13.5
103.35794	0.6
113.02454	6.8
119.03504	7.9
131.03528	0.8
143.75511	0.7
161.04593	1.1
179.05614	1.1
184.06213	1.0
323.13489	100.0
324.13773	5.7
334.25616	0.8
463.38406	0.6
595.13434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32866	2.3
55.00275	2.1
56.98120	2.5
59.01370	2.3
65.48636	2.2
68.26302	2.0
107.05067	3.3
113.29253	2.2
157.06596	27.9
159.04556	3.1
175.07619	11.2
179.08643	3.4
201.05586	44.1
203.07219	2.7
209.05916	4.8
213.09137	4.9
215.07253	2.6
219.06668	8.5
223.07687	27.4
224.08249	7.1
225.09209	9.9
227.07176	4.3
229.04996	18.1
234.06857	3.1
235.07486	2.8
237.09023	5.4
239.07190	5.1
243.06648	6.8
247.07524	3.0
248.08287	2.4
249.09148	3.4
255.06656	24.5
256.06961	2.7
257.08099	7.2
261.12918	2.3
262.06546	3.3
263.07153	3.7
264.07785	4.1
275.07095	7.2
276.07874	4.8
287.07315	4.5
287.10791	7.2
289.08734	3.1
293.08423	2.9
302.13089	5.4
303.06723	3.2
303.10223	6.1
304.11145	5.3
305.19199	3.6
315.10059	3.1
329.11871	3.7
330.12521	3.7
339.15875	6.9
347.20239	26.2
348.20700	6.4
350.21893	2.9
357.11365	3.2
371.20200	10.3
373.17938	18.5
373.21619	3.8
375.19644	35.7
376.20163	10.5
387.19650	7.5
391.19202	96.6
392.19467	18.5
393.20795	10.9
394.21069	4.4
399.19662	62.2
400.20148	5.8
409.20084	4.9
415.19110	9.6
417.20724	81.4
418.20911	10.7
431.18585	15.0
477.13507	3.2
509.47626	2.5
601.25586	6.0
603.27350	4.2
605.25659	4.7
629.25494	100.0
630.25861	15.3
643.52161	2.6
647.26416	49.6
647.39203	14.5
648.26886	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	647.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15094	1.1
58.94492	0.9
61.98838	1.8
65.08179	1.0
71.18369	1.9
78.94157	1.1
87.52665	1.2
93.03462	1.4
107.05038	2.9
119.05010	1.4
138.90456	1.0
157.06604	11.9
159.04518	2.5
159.08116	1.3
171.04565	1.4
175.07645	4.6
177.01848	1.1
177.12775	1.1
179.08708	2.4
183.08125	2.1
199.07448	1.5
201.05594	14.2
203.07109	2.2
209.06049	1.8
211.07695	1.5
213.09229	2.0
215.07047	1.8
219.06595	4.5
223.07677	22.4
223.22307	1.1
224.08264	4.4
225.09264	6.2
227.07156	3.7
227.10651	1.2
229.05087	4.7
231.06570	1.5
235.07571	2.5
237.09192	3.9
239.07146	3.9
239.10802	1.7
240.07571	1.7
241.08685	1.4
243.06560	1.7
248.08492	1.5
249.09241	1.3
251.07225	3.3
252.07791	1.5
253.08582	1.4
255.06653	13.9
256.07129	1.2
257.08044	1.6
261.13055	1.6
263.07098	3.4
263.10678	1.5
264.07855	4.5
265.08566	1.8
266.08713	1.5
275.07071	3.6
276.07919	1.2
277.12335	1.7
287.07269	1.8
287.10806	2.9
289.08975	1.9
289.12125	1.5
295.17081	1.3
302.12988	1.7
303.10370	5.9
304.10968	9.3
305.11435	3.3
305.19073	3.5
313.12601	1.3
337.07135	1.6
339.16074	2.6
345.18216	1.4
347.16251	2.1
347.20200	24.3
348.20428	4.1
349.21762	1.7
365.15955	1.7
367.12064	1.8
371.20410	2.7
373.18015	20.8
373.21899	2.4
374.18427	6.9
375.19638	33.9
376.19974	4.0
387.19421	1.6
391.19159	100.0
392.19485	23.8
393.20398	13.8
394.21002	2.2
399.14670	2.1
399.19672	26.2
400.20081	3.1
403.19717	1.5
407.18329	2.7
408.18970	4.0
409.20090	17.1
410.20358	2.8
411.20688	1.4
415.19125	6.3
417.20670	18.4
418.21140	2.3
431.18509	3.6
601.25824	3.7
603.27374	1.6
605.25336	1.9
615.22040	2.1
629.25421	31.4
629.35889	1.6
630.25940	4.5
646.38446	3.5
647.26135	21.6
647.39288	19.5
648.27045	6.7
648.37292	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	647.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
58.00609	0.7
59.01384	100.0
60.01724	0.8
61.98841	1.1
69.46070	1.1
69.46487	3.7
71.01389	6.7
72.99326	0.7
73.02951	1.8
75.00848	1.3
83.01393	0.9
85.02968	2.1
87.00899	0.8
89.02452	6.4
91.33303	0.7
92.62577	0.6
96.96016	4.5
97.51208	0.7
98.19875	0.7
99.00893	0.7
99.04564	0.8
101.02430	3.4
107.05041	2.1
109.10470	0.7
113.02482	2.4
117.87154	0.6
119.03505	1.1
133.03030	0.9
134.04819	1.0
157.06580	3.7
161.02415	0.7
175.07684	4.5
179.05681	1.1
201.05569	6.1
201.11307	0.8
213.09334	0.9
219.06627	15.0
220.07010	1.2
233.05608	0.7
261.07758	1.3
267.16034	0.9
277.08682	1.4
285.04129	0.9
293.08252	1.1
305.08356	2.0
321.07657	7.5
333.07574	1.1
349.07181	26.7
350.07611	3.3
363.08829	2.2
364.09564	10.2
365.09891	1.6
367.12213	0.7
377.06757	2.3
379.11884	26.6
380.12259	2.6
392.09134	1.5
407.11383	81.1
408.11667	8.1
488.15759	0.7
515.28491	3.2
587.17731	17.3
588.18341	2.1
647.37366	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21407	0.2
54.22202	0.2
59.01371	0.9
61.98818	0.7
71.55059	0.3
72.64700	0.2
79.05561	0.4
80.02682	2.2
87.00886	0.3
96.96013	0.5
97.33572	0.2
103.85594	0.2
107.05047	0.6
107.46117	0.2
108.02184	46.7
109.02498	0.5
123.04538	25.6
124.04858	0.6
125.57241	0.3
131.08748	0.3
138.35353	0.3
152.01154	2.9
157.06552	0.3
159.04539	0.8
167.03506	100.0
168.03859	3.1
175.07617	2.3
200.15717	0.3
201.05630	0.7
203.03580	0.7
203.63159	0.3
219.06657	0.4
283.51025	0.3
352.43390	0.3
405.09793	0.9
435.14429	1.7
479.13376	0.5
497.14468	0.4
529.18622	0.7
573.18146	1.0
581.50549	0.3
647.24829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21419	0.2
59.01375	0.3
61.98832	0.4
62.75776	0.2
69.94279	0.8
80.02686	2.5
81.65166	0.2
87.00914	0.2
96.96027	0.3
98.19994	0.3
98.28899	0.2
107.05053	0.6
108.02186	47.6
109.02505	1.3
123.04539	24.7
124.04856	0.8
145.46317	0.2
152.01173	2.9
152.04909	0.2
157.06610	0.3
159.04468	0.5
167.03510	100.0
168.03845	3.3
168.77109	0.2
175.04118	0.2
175.07654	2.1
197.26419	0.2
201.05513	0.4
203.03546	0.3
217.04922	0.2
219.06662	0.2
225.09433	0.2
230.99370	0.2
243.10353	0.3
256.13235	0.2
267.06485	0.2
269.08133	0.4
373.10846	0.3
375.08780	0.2
405.09918	0.6
407.78369	0.2
420.12186	0.5
435.14594	1.6
479.13510	0.6
497.14896	0.4
529.18842	0.8
565.58673	0.2
573.17639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72727	0.1
57.03451	0.3
59.01389	0.8
69.51070	0.7
71.01386	0.4
72.37957	0.1
73.02969	0.2
79.95747	3.5
96.96021	100.0
97.95976	0.3
98.95613	0.2
101.02457	0.3
113.02438	0.2
147.39229	0.1
149.04597	0.3
151.00490	0.2
152.01213	0.2
161.04594	0.2
164.62749	0.2
182.72287	0.1
212.81133	0.1
243.02922	0.2
255.02948	0.3
266.04599	0.1
271.02521	0.6
273.44025	0.2
276.36295	0.1
300.02814	1.4
301.03577	0.5
343.97580	0.1
505.10010	2.2
506.10028	0.3
524.99609	0.2
646.26880	0.2
647.27087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
61.98818	2.6
67.01892	2.5
68.89350	1.0
70.10159	3.8
92.99819	1.4
96.96026	1.6
107.05043	1.8
108.02171	1.8
113.68864	0.9
121.02984	1.6
123.04547	5.1
130.04250	10.6
131.05028	1.1
133.02959	1.1
133.06577	1.9
145.06595	7.3
147.04549	2.1
148.01677	4.2
153.01979	1.3
157.06567	1.5
158.03748	15.3
159.04469	1.7
161.02480	0.9
161.06029	2.0
167.03502	1.5
172.05301	6.8
173.06093	14.5
174.03244	1.3
175.07648	4.5
176.01108	1.0
183.25946	1.0
189.05589	2.7
191.03406	1.2
191.07150	2.0
201.05533	2.6
209.06075	1.0
217.05070	96.6
218.05399	4.2
225.09091	1.2
227.07184	6.3
235.06139	100.0
236.06537	5.8
240.08057	1.2
241.08659	1.7
273.29077	0.9
278.05801	1.5
322.05078	1.4
335.09662	1.1
409.12897	24.4
410.13342	2.8
447.13538	1.2
477.19147	1.1
563.13245	1.1
581.14630	1.7
583.65936	1.1
613.17303	1.1
627.18445	4.3
645.19830	60.7
645.29706	3.2
645.37756	2.6
646.20184	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	645.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89701	0.9
58.02978	7.5
59.01386	4.1
66.04161	1.0
69.46447	6.4
69.46837	1.7
70.02985	6.1
72.00920	1.8
74.02482	37.4
98.02487	9.0
116.03555	9.3
116.05065	12.8
130.06662	1.3
142.06627	3.4
159.09276	3.4
201.10396	2.7
203.08279	41.0
204.08551	1.9
217.30070	0.9
245.09319	100.0
246.09726	5.3
394.66107	1.1
461.80722	1.0
492.11298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.3
59.01385	58.6
59.07091	2.1
70.17865	4.0
70.18263	4.9
71.01397	25.3
72.99312	2.3
73.02959	22.7
74.70558	1.9
83.01378	4.1
85.02956	7.2
87.00896	2.7
89.02455	9.3
95.01404	2.6
96.96014	21.1
98.19973	3.6
99.00884	2.8
101.02467	21.2
102.02776	2.2
107.05055	3.3
113.02486	11.8
121.02939	2.8
148.01683	36.6
157.06589	14.8
159.04539	2.0
161.04562	4.8
162.03249	6.4
163.04007	26.7
175.04111	3.0
175.07635	9.5
187.07634	8.2
189.01991	3.6
201.05579	26.4
215.07144	32.4
218.65865	2.1
219.06708	4.3
233.08145	3.5
301.12128	2.4
364.09479	11.2
379.11902	72.2
380.12048	7.5
397.12738	5.5
541.17383	17.9
559.18317	20.2
601.19281	100.0
602.19781	10.8
645.39551	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	645.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19818	0.1
59.01386	4.4
61.98822	0.5
64.01060	0.2
64.58683	0.2
68.74215	0.2
71.01388	2.4
71.55444	0.2
72.99319	0.3
73.02957	2.0
78.95918	0.5
79.95744	3.9
82.41105	0.2
83.01392	0.6
85.02947	0.9
86.50111	0.2
87.00866	0.3
89.02460	1.0
90.55461	0.2
96.96019	100.0
97.95951	0.3
98.55547	0.2
99.04556	0.2
99.53039	0.2
101.02455	2.0
107.05820	0.2
110.65380	0.2
113.02449	1.0
113.92638	0.3
114.93427	0.7
119.03528	0.3
125.02450	0.3
128.68762	0.2
131.03517	0.3
143.03537	0.2
149.04558	0.3
161.04532	0.3
265.17990	0.3
269.04596	0.5
284.06955	0.7
291.19632	1.4
299.09244	1.1
309.20691	0.3
467.68271	0.2
471.26062	0.4
513.26990	6.9
514.27484	0.5
601.37549	0.6
645.30731	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.1
59.01389	9.0
69.03453	7.3
69.25119	6.7
69.25534	6.0
71.01381	22.1
72.99316	2.1
73.02949	13.8
83.01386	3.8
85.02958	59.0
87.00883	100.0
93.03470	1.8
95.01371	8.7
96.96030	3.2
97.02959	25.7
99.00883	2.4
101.02439	2.5
103.04034	11.4
109.02907	1.6
111.00883	2.5
113.02463	41.9
114.57574	1.5
115.00389	13.4
129.01933	1.5
137.02432	3.2
139.00325	1.6
152.91759	1.3
157.01466	9.1
169.81531	1.3
173.04546	3.1
175.02492	71.0
176.02748	2.4
217.03539	24.2
303.07245	33.1
304.07361	1.7
321.08298	15.4
479.10403	11.1
497.11856	2.4
539.12653	21.2
540.12421	2.0
625.16205	19.3
626.16541	2.1
643.17181	39.9
644.17407	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	643.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
56.30300	0.8
57.03450	6.5
59.01378	6.7
61.17839	0.7
63.46170	0.8
67.01896	1.4
68.99815	1.3
69.03461	7.4
71.01391	15.8
71.22758	1.3
72.99304	1.2
73.02956	15.0
81.03457	1.4
81.14880	0.8
83.01397	3.9
84.21696	0.7
85.02960	59.8
86.03305	1.3
87.00887	100.0
88.01196	1.3
92.78676	0.9
95.01389	8.9
97.02959	28.0
98.03324	1.1
99.00899	1.4
101.02456	1.8
103.04015	11.4
109.02955	2.0
109.51823	0.8
111.00887	1.6
113.02459	41.8
115.00380	10.7
115.04041	2.4
125.02418	1.4
127.04014	1.8
129.01944	2.3
139.00435	2.0
157.01430	11.9
173.04523	3.4
175.02489	73.6
176.02855	1.4
197.25679	0.8
217.03532	24.7
235.04367	0.8
259.04501	1.1
303.07245	30.0
304.07791	1.5
321.08228	12.4
381.10233	1.7
419.60727	0.9
436.17325	0.8
437.08994	1.0
479.10406	11.6
497.11697	1.9
537.28448	0.9
539.12585	19.8
539.20251	0.7
540.12897	2.8
625.16241	13.5
626.16925	2.0
643.17322	37.8
644.17273	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10878	3.1
59.01382	51.3
61.98829	8.4
71.01389	23.2
73.02940	9.4
83.01382	4.1
85.02956	8.7
87.00871	3.7
89.02447	12.6
93.03442	3.7
96.96014	33.4
99.00874	3.5
101.02443	16.0
108.02182	3.1
108.93944	3.4
109.02962	3.5
113.02460	13.5
116.42456	3.1
123.00843	4.1
125.02422	4.9
131.34023	3.4
137.02486	3.8
141.01694	4.0
149.02496	4.2
152.07236	3.0
160.01660	4.6
161.02505	5.8
161.04654	4.6
164.01186	22.5
165.01929	7.1
170.54782	3.3
175.07515	3.9
177.01961	9.7
178.02693	9.9
179.03491	9.0
193.05054	18.5
195.49339	3.1
197.11798	5.1
201.05577	5.7
209.11868	4.3
227.12914	4.4
230.15839	3.7
235.06052	4.1
268.03995	4.0
285.04153	3.6
297.16553	3.8
306.09079	7.8
311.33765	3.5
334.08310	6.6
345.07642	4.0
348.02875	3.1
349.11026	6.2
361.07233	4.6
362.07965	22.5
367.11859	9.0
377.10297	100.0
378.10657	9.2
395.11319	89.8
396.11746	9.3
583.32434	5.7
599.29578	4.1
643.35480	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	643.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	15.6
61.98829	2.4
62.17801	1.3
64.38145	1.0
65.00340	2.5
67.01894	1.5
71.01379	5.4
72.45181	0.9
73.02945	1.5
79.05544	7.8
80.05052	3.4
80.83927	1.3
83.05020	1.9
89.02487	2.3
95.01403	1.9
96.96020	18.8
97.06578	1.1
98.20685	2.6
101.02420	2.7
102.74773	1.0
104.05053	1.4
107.03790	1.9
107.05022	1.2
111.04574	1.1
113.02494	2.2
122.06154	16.5
123.04542	1.1
123.06464	5.2
124.01681	1.4
131.05063	1.2
132.04553	1.4
134.06110	5.0
135.06442	1.4
139.04022	3.3
149.02422	2.1
149.04424	1.1
149.06099	1.6
151.00377	1.7
152.07191	18.9
153.07558	6.9
153.12909	1.1
159.08145	2.5
160.06427	2.7
161.02457	3.0
161.04739	1.5
165.01984	1.3
169.12271	1.2
173.06059	2.2
174.05630	1.1
175.07492	1.3
177.01875	1.4
187.07628	2.6
188.04744	1.1
191.07152	3.4
197.11856	26.3
201.11371	3.5
209.11859	23.7
213.10388	8.4
214.10693	6.5
217.05098	4.7
218.05730	2.1
223.13319	1.8
227.12843	3.3
229.00865	1.2
231.06645	100.0
232.06892	4.2
239.11955	5.2
240.12218	4.6
241.13361	3.5
242.13802	4.1
245.12947	2.5
246.13373	1.5
247.10609	1.1
253.09236	3.0
285.04132	1.8
285.12442	14.9
286.12790	15.9
287.13019	4.1
293.13040	2.3
294.13242	2.3
295.10919	1.4
297.11954	1.3
299.05728	1.6
323.10181	2.7
324.10651	3.0
325.11176	2.1
342.11996	1.3
345.14035	1.2
355.13046	1.8
356.13226	2.1
357.13879	1.8
358.15497	4.4
359.16086	5.6
360.16446	2.6
361.07254	1.2
380.08969	1.2
385.13742	2.0
394.10562	2.7
395.11386	37.7
395.16544	2.1
396.11801	2.5
400.16599	2.1
401.17020	4.5
402.17175	3.1
413.16867	2.4
480.96393	1.2
524.23810	3.3
525.23694	3.2
546.15546	1.1
565.24414	2.9
566.24921	22.0
567.25281	29.5
599.17676	6.6
610.23883	19.7
611.24152	32.5
612.24603	1.4
642.26398	2.5
643.26624	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
61.98818	0.2
69.21727	0.5
69.22153	0.6
71.01393	0.4
73.02956	0.2
78.95907	0.2
79.62302	0.1
79.95751	3.5
85.02941	0.2
89.02459	0.2
96.96024	100.0
97.93114	0.1
97.95984	0.3
98.19924	0.2
99.36682	0.1
101.02421	0.2
113.02451	0.2
114.22386	0.1
114.93437	0.4
117.05656	0.1
124.32729	0.1
136.40511	0.1
137.02501	0.2
137.54678	0.1
151.00380	0.2
152.01155	0.1
165.01958	0.5
175.04063	0.2
177.65276	0.1
178.99930	0.1
180.04332	0.2
181.05048	0.1
195.06720	0.2
198.46864	0.1
225.07704	0.3
267.02881	0.2
269.04523	0.3
282.05377	0.5
297.07858	0.5
324.48920	0.1
339.58316	0.1
395.11615	0.1
417.15253	0.2
537.82855	0.1
595.21997	0.3
611.21667	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	643.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46396	4.4
52.13147	5.4
57.03447	5.7
59.01112	8.8
59.01386	92.7
60.21344	4.7
61.98828	8.2
68.95239	4.5
68.99593	4.9
71.01392	43.2
71.54453	5.8
71.54807	5.3
73.02953	30.4
75.00903	7.6
82.95442	5.8
83.01366	10.0
83.25110	4.6
85.02936	7.1
89.02447	14.8
96.96023	69.2
98.95580	9.9
101.02460	25.4
102.76752	5.0
112.98570	6.9
113.02450	25.3
116.92886	8.9
119.03533	5.3
121.02934	6.9
128.06458	5.3
148.01678	17.7
149.04504	6.0
161.02472	11.0
161.04533	7.1
162.03218	8.5
163.04018	14.7
163.07687	5.1
167.03523	8.2
173.06027	7.0
175.04002	6.8
200.04985	4.6
217.05159	5.5
243.06888	5.7
273.07578	6.0
281.04507	5.9
377.10275	11.9
395.11435	15.1
539.15417	17.5
557.16339	21.6
591.43225	6.1
599.08179	6.1
599.17633	100.0
599.26563	7.4
600.18201	9.4
643.28125	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	643.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
60.12231	0.1
61.98817	0.2
71.01393	1.1
71.55244	0.2
72.99305	0.2
73.02958	0.3
73.18474	0.1
79.95741	3.3
83.01418	0.2
85.02945	0.4
89.02454	1.0
96.96021	100.0
97.95963	0.2
101.02441	0.8
113.02454	0.6
113.92645	0.2
114.93395	0.4
118.51304	0.2
119.03558	0.2
126.90407	0.3
137.02490	0.1
149.04529	0.3
161.04599	0.3
175.03946	0.2
209.64490	0.1
214.05266	0.1
227.12965	0.2
239.03456	0.2
282.05493	0.4
287.62341	0.1
297.07654	0.8
305.58408	0.1
319.91357	0.1
350.13641	0.1
560.68854	0.1
599.25916	0.1
601.32501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00225	0.4
57.03454	2.5
59.01386	3.2
59.74939	0.5
61.98823	1.3
67.46627	0.6
69.03457	1.8
71.01385	0.6
71.05019	1.2
71.54808	0.6
73.02921	0.5
78.11524	0.4
83.05047	2.8
85.06590	1.5
87.04535	0.7
88.08366	0.4
93.03449	1.1
95.05018	1.3
96.96023	1.8
97.02965	9.0
97.06608	1.4
101.02414	0.6
109.06580	1.9
110.03732	0.5
111.04537	1.2
111.08160	1.0
115.40332	0.4
122.06104	2.5
123.06486	0.8
123.08234	0.5
125.09709	0.5
134.06107	0.6
135.08217	0.5
137.09735	1.7
149.09785	0.8
152.07204	3.0
153.07523	1.4
163.11263	1.0
165.12860	2.2
166.81870	0.4
167.10796	0.8
171.10318	2.4
175.11366	1.4
177.12856	7.3
179.14412	1.7
181.12384	1.0
181.67429	0.5
183.13852	1.0
189.09064	0.8
193.08551	2.2
193.12323	0.9
193.16302	0.5
195.13918	7.0
205.12358	2.3
207.10115	1.0
211.13434	6.9
212.13744	0.9
215.10616	0.8
217.15935	0.9
221.15515	6.6
223.13406	5.4
227.12918	0.6
233.11670	1.5
235.16951	0.6
239.16551	2.0
241.13490	0.8
243.10052	1.1
245.11597	65.3
246.11996	3.6
247.13243	0.8
247.20747	1.8
251.16725	0.6
261.11053	0.6
262.11902	1.4
266.02289	0.9
269.33823	0.5
273.14743	1.4
273.18536	0.8
279.11310	0.5
283.10907	0.9
287.16125	0.7
291.19684	24.7
292.19986	1.6
297.04004	0.6
309.20740	100.0
310.21054	7.0
313.17838	1.5
331.18918	12.9
332.19189	0.8
375.17868	1.5
383.12631	0.6
399.15271	1.0
400.15967	0.8
412.15891	0.5
466.17630	0.6
469.24426	1.3
477.67682	0.5
517.88995	0.5
555.31567	2.2
556.31659	0.6
565.23834	4.5
597.26575	1.0
609.23035	3.4
641.25537	1.8
641.40173	8.8
642.40918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.4
59.01382	14.9
61.98833	6.3
71.01373	1.4
71.34141	1.1
77.91777	1.1
80.05077	8.8
84.22620	1.4
94.06615	3.3
96.96026	2.7
104.05070	3.9
105.37173	1.2
106.06631	4.7
107.03791	7.3
108.02228	1.8
108.08234	1.3
117.79150	1.2
120.04604	1.3
120.08217	1.6
121.05363	1.7
122.06136	46.9
123.06432	1.5
132.04526	2.7
134.06136	15.0
136.07645	3.4
139.02768	2.0
146.06070	1.7
148.04015	4.2
152.07184	71.0
153.07489	2.4
160.04024	3.0
160.06429	4.8
161.04750	1.8
162.05626	1.3
164.07156	1.6
167.03401	3.4
174.05612	5.9
186.05582	1.9
190.05101	4.0
197.07179	1.4
211.13362	1.9
213.10359	27.9
214.10626	2.4
218.52895	1.3
223.08795	1.7
224.09354	1.3
225.10344	2.9
226.11107	3.5
236.09416	1.7
237.10349	2.7
239.11948	25.9
241.13493	17.4
242.10422	1.6
245.12970	8.8
250.07663	1.1
251.11906	4.4
257.12964	7.3
264.09094	2.2
265.09882	2.8
265.13239	1.2
267.11359	1.6
279.11383	4.7
281.09442	1.4
285.12482	67.8
286.12796	4.5
293.12958	8.3
295.10916	4.4
300.02271	1.2
301.12012	8.1
301.83411	1.2
302.12448	1.3
313.11853	8.3
316.14551	2.1
323.10394	12.0
325.12021	6.2
326.12878	1.8
328.10938	5.6
329.11618	1.6
330.12360	1.6
339.09799	2.1
340.14581	2.4
341.11453	3.6
342.12405	5.0
343.13217	7.5
344.14066	5.6
345.14362	1.6
355.13040	7.5
356.13766	3.3
356.17773	3.1
357.14749	4.3
358.11325	1.8
358.15656	29.5
359.16058	5.2
369.14410	1.3
370.11670	3.2
372.17188	1.5
382.15622	1.8
384.13434	6.9
385.14078	3.7
399.15778	2.1
400.16705	22.9
401.17007	1.7
412.16724	6.1
413.17151	1.4
459.08481	1.3
478.12775	1.7
479.13318	1.6
497.25613	4.1
506.35016	1.4
509.21826	1.8
521.25342	4.2
523.23474	21.1
524.24078	5.5
565.24597	87.3
566.24908	14.6
567.22821	3.1
568.23132	10.5
569.23633	2.3
581.24121	2.2
591.22223	1.9
597.27216	2.8
609.23572	100.0
610.24011	16.1
641.10736	1.6
641.26239	37.6
642.26465	7.4
649.83240	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71723	1.8
59.01144	2.1
59.01386	21.3
61.98838	25.9
62.96244	2.1
71.01394	5.0
73.16702	1.9
79.95744	6.4
80.05068	9.4
80.96510	9.0
81.67930	2.0
85.02978	4.3
89.02425	2.6
94.06641	2.3
95.07661	2.1
96.96017	17.3
101.02464	3.8
104.05069	4.6
106.06638	4.3
106.16074	2.1
107.03760	7.2
115.07677	3.2
120.04542	3.1
121.05313	1.9
122.06137	49.8
124.07686	2.3
132.04610	2.5
134.06157	13.2
148.04045	5.2
150.05580	4.3
152.07181	66.9
160.06349	3.7
171.10236	3.7
174.05615	6.8
190.05127	2.7
209.11823	2.2
211.03864	2.8
211.13490	18.3
213.10391	27.8
225.00758	2.8
225.10545	3.2
226.11029	5.4
237.10352	2.2
239.11880	26.7
241.13417	13.5
242.13971	3.0
245.12944	8.2
249.10374	2.6
251.11980	4.2
257.13034	8.9
264.09143	3.2
265.09851	2.8
271.02524	2.4
279.11310	4.7
285.12460	61.6
286.12805	2.4
293.09622	2.7
293.12915	6.1
295.10837	4.7
297.12228	2.6
301.11993	16.1
313.07697	1.8
313.11862	9.5
323.10345	12.2
325.11917	2.8
328.10718	4.2
328.14435	2.5
329.06631	2.9
336.35089	3.0
342.12393	3.9
343.13159	5.8
344.13986	6.9
355.13004	6.2
356.13818	3.3
356.17767	3.2
357.14774	6.9
358.15567	29.7
359.16281	4.2
370.11884	3.6
372.17099	2.5
384.13614	6.8
385.14136	3.4
398.15240	2.8
399.15924	2.3
400.16611	18.8
401.17407	3.0
412.16644	5.7
471.15482	8.3
497.25562	5.2
509.22119	4.5
521.25708	2.6
523.23688	18.5
524.24146	4.4
541.24634	2.9
547.23090	2.5
565.24609	92.4
566.25037	14.6
567.23096	2.7
568.22992	9.6
609.23621	100.0
610.23962	14.6
641.13251	4.8
641.26050	43.2
642.26300	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	641.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.5
61.38213	0.7
61.98836	1.2
69.37410	0.9
69.42222	6.3
71.01386	0.9
80.05060	9.3
85.02962	0.8
92.05064	1.1
94.06625	4.5
96.95985	1.7
104.05071	3.4
106.06625	3.9
107.03785	5.8
120.04534	2.4
120.08184	3.1
121.05338	2.8
122.06133	44.4
123.06432	1.3
130.06628	1.4
132.04533	3.4
134.06122	14.7
134.91891	0.9
139.02757	1.4
148.04048	1.9
152.07184	55.2
153.07504	2.0
159.05705	0.8
160.04095	1.9
160.06445	7.2
161.04767	1.7
164.07097	1.0
173.04742	1.0
174.05647	5.1
186.05656	1.0
190.05132	3.3
197.07196	1.2
198.12880	1.3
211.08855	1.1
211.56009	0.8
213.10359	33.0
214.10612	1.8
219.99269	0.9
223.08749	2.5
224.09447	1.8
225.10352	3.3
226.11131	2.2
227.11943	1.1
236.09450	1.3
237.10295	1.3
239.11926	20.8
240.12230	1.4
241.13510	20.0
242.13872	1.2
245.13000	11.3
249.06615	1.6
251.08138	0.9
251.11906	2.9
265.09839	3.2
267.11288	1.0
268.11673	0.9
268.53479	0.9
269.04532	1.4
277.09863	1.6
278.10513	1.1
285.12466	76.6
286.12866	5.7
291.11536	1.3
293.12997	9.8
294.13443	1.2
295.10846	8.9
297.12350	1.1
313.11987	5.1
314.12698	1.0
316.14664	2.2
323.10413	14.9
324.10751	1.0
325.11923	4.9
326.12784	1.6
328.11066	3.9
328.14413	1.0
329.11642	1.5
330.12326	1.2
332.17596	1.6
339.10004	1.2
340.10718	1.4
340.14493	1.9
342.12729	3.9
343.13260	4.0
344.13971	2.4
355.12988	9.1
356.13776	1.8
356.17697	2.9
357.14795	5.3
358.11353	1.4
358.15619	25.1
359.16034	2.4
369.14581	1.3
370.11920	3.0
370.16043	1.3
372.17175	1.7
382.15717	1.5
383.12292	1.0
384.13605	6.4
385.14154	2.3
397.14301	1.2
398.15045	1.3
399.15533	1.3
400.16641	21.7
401.16638	2.3
412.16705	7.3
497.25629	3.0
509.21738	1.4
521.25616	3.0
523.23584	15.1
524.23999	3.0
537.24805	1.4
565.24567	100.0
566.24945	14.4
568.23059	3.8
581.23773	1.5
591.22626	1.0
597.27051	1.2
598.27069	0.9
609.23535	96.7
610.23792	18.1
641.12817	2.5
641.26056	19.4
641.35907	1.7
642.26239	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	641.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81783	1.8
59.01380	14.1
61.98840	3.6
69.18321	7.9
69.18755	8.1
77.75316	1.5
80.05054	10.8
94.06631	4.1
96.96010	6.2
101.02424	1.8
104.05094	3.7
106.06628	5.9
107.03780	7.6
120.04605	2.0
121.05338	3.7
122.06140	50.0
130.06647	3.2
132.04591	3.1
134.06119	17.7
148.04073	3.3
149.61028	2.1
152.07185	69.9
153.07550	1.7
160.04129	2.9
160.06429	7.7
161.04729	2.1
174.05609	6.1
190.05217	2.0
211.08748	2.1
213.10374	30.4
214.10579	2.5
223.08699	3.4
224.09570	2.0
225.10419	2.5
226.11107	3.8
237.10535	2.6
239.11932	29.2
241.13492	17.1
245.12904	8.6
251.11909	4.2
265.09756	2.7
269.25366	1.7
277.09732	2.5
285.12460	69.3
286.12766	3.4
286.49197	1.7
293.13068	7.9
295.10928	4.8
313.12039	7.7
323.10428	11.2
325.11960	5.2
328.10861	5.8
328.14624	2.5
330.16034	2.4
332.17685	2.0
335.76645	2.0
340.14529	2.3
342.12411	5.7
343.08835	2.4
343.13229	7.2
344.14124	5.3
344.18033	2.0
355.13107	6.1
356.13876	3.9
356.17749	4.3
357.14780	7.5
358.15665	30.3
359.16153	4.1
365.10287	2.2
370.11673	3.5
371.12686	2.2
380.06189	1.8
384.13522	6.4
385.14117	2.8
393.09811	1.9
396.65540	2.3
400.16684	18.2
401.17197	2.5
412.16617	5.7
437.07877	2.0
497.25534	4.1
509.22058	4.5
521.26117	2.5
523.23462	21.0
524.24139	6.2
532.54443	1.7
565.24603	85.5
566.24750	12.0
567.22205	3.7
568.23096	9.8
569.23285	3.1
581.24677	2.8
609.23578	100.0
610.23615	13.8
641.26300	38.4
642.26617	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	641.2476
Annotation	Cannabisin E
Peak:m/z	Relative Intensity
55.65496	0.5
57.03443	0.9
58.00589	0.6
59.01385	20.2
61.43237	0.5
61.98821	0.5
71.01015	1.0
71.01390	14.0
72.99297	1.1
73.02950	0.9
79.95725	0.7
83.01385	1.1
84.33231	0.5
85.01022	2.4
85.02953	4.2
87.00880	5.5
89.02453	15.2
95.01349	1.2
96.96023	10.5
98.19912	1.7
99.00903	0.6
101.02451	11.7
103.00385	0.6
103.61329	0.5
113.02445	6.9
119.03516	7.8
119.04915	0.6
127.02143	0.6
131.03436	0.7
143.03424	0.6
143.05251	0.9
145.03020	1.1
147.06589	1.0
147.70679	0.5
149.04527	0.6
157.03125	0.6
161.04552	0.8
163.03966	0.8
167.03481	1.2
173.06190	0.6
179.05568	0.9
187.04221	0.6
214.66415	0.5
292.55719	0.6
309.12006	4.7
323.13486	4.2
335.11627	1.9
349.13089	2.6
391.14117	0.7
405.12061	2.3
419.13870	2.2
443.15598	3.9
552.70587	0.6
573.63660	0.6
641.24792	100.0
642.25177	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	641.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.8
61.98823	5.7
65.00342	2.5
69.69295	5.2
69.69694	2.1
71.01378	2.3
92.00568	1.4
93.03466	6.3
96.96023	12.7
98.19997	3.1
103.01940	1.9
106.19057	1.8
107.01408	2.5
108.02161	3.9
109.02978	3.6
121.03040	1.5
123.04548	4.3
125.02421	1.7
131.01382	5.9
134.03711	3.0
135.04539	100.0
136.04868	4.0
143.04991	1.9
149.02481	4.3
151.00342	2.6
151.03990	2.6
159.04463	2.7
161.02463	5.3
167.03496	5.5
171.04520	3.5
175.00404	21.9
189.05548	2.2
193.01402	4.2
200.76822	1.6
211.03880	1.7
211.07675	5.4
211.13387	4.9
212.08452	28.9
215.03539	12.0
219.06392	1.8
227.10788	46.4
228.11038	2.8
233.04596	17.4
234.10463	2.8
269.04599	2.0
271.09784	58.4
272.09943	1.9
276.11783	1.9
291.14032	1.8
297.03967	1.6
301.12225	2.0
303.10229	1.6
311.05652	31.0
312.05716	1.6
318.12665	2.0
328.02606	1.7
333.15042	3.4
335.12509	3.4
351.08609	2.5
359.12994	2.1
369.09778	30.5
370.10245	1.9
377.13831	2.1
421.12982	13.0
443.14813	2.6
539.17383	4.1
540.17621	1.8
579.20160	1.9
583.16168	16.7
584.16687	2.3
597.21448	13.0
598.22314	2.1
623.19110	3.5
639.77881	1.6
641.20319	52.1
642.20709	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	641.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.8
61.98823	5.7
65.00342	2.5
69.69295	5.2
69.69694	2.1
71.01378	2.3
92.00568	1.4
93.03466	6.3
96.96023	12.7
98.19997	3.1
103.01940	1.9
106.19057	1.8
107.01408	2.5
108.02161	3.9
109.02978	3.6
121.03040	1.5
123.04548	4.3
125.02421	1.7
131.01382	5.9
134.03711	3.0
135.04539	100.0
136.04868	4.0
143.04991	1.9
149.02481	4.3
151.00342	2.6
151.03990	2.6
159.04463	2.7
161.02463	5.3
167.03496	5.5
171.04520	3.5
175.00404	21.9
189.05548	2.2
193.01402	4.2
200.76822	1.6
211.03880	1.7
211.07675	5.4
211.13387	4.9
212.08452	28.9
215.03539	12.0
219.06392	1.8
227.10788	46.4
228.11038	2.8
233.04596	17.4
234.10463	2.8
269.04599	2.0
271.09784	58.4
272.09943	1.9
276.11783	1.9
291.14032	1.8
297.03967	1.6
301.12225	2.0
303.10229	1.6
311.05652	31.0
312.05716	1.6
318.12665	2.0
328.02606	1.7
333.15042	3.4
335.12509	3.4
351.08609	2.5
359.12994	2.1
369.09778	30.5
370.10245	1.9
377.13831	2.1
421.12982	13.0
443.14813	2.6
539.17383	4.1
540.17621	1.8
579.20160	1.9
583.16168	16.7
584.16687	2.3
597.21448	13.0
598.22314	2.1
623.19110	3.5
639.77881	1.6
641.20319	52.1
642.20709	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	639.2626
Annotation	orbiculin G
Peak:m/z	Relative Intensity
54.40760	0.4
56.38602	0.5
59.01369	2.2
61.98818	2.2
68.99822	0.8
70.55849	0.9
71.01378	1.2
72.99296	2.2
75.00883	2.5
75.02576	0.9
83.01363	0.6
85.01016	1.5
96.96005	0.8
99.00869	0.9
101.02436	0.7
103.00347	1.5
112.98824	3.8
114.98419	1.0
119.05037	0.6
129.01932	0.6
142.99940	1.1
143.01547	0.9
143.05144	0.7
171.01044	2.3
215.07133	0.7
251.07063	1.1
261.12909	1.8
263.05792	6.4
267.53912	0.6
277.21582	0.6
288.79300	0.6
305.11896	0.8
305.19037	2.8
307.07809	0.6
375.19550	5.4
376.19666	0.8
393.20593	0.8
419.20410	8.9
433.21964	4.4
434.21811	0.7
461.20941	0.7
473.19858	0.6
499.00522	0.6
503.22672	0.8
515.13757	4.7
527.13690	1.5
639.26282	100.0
640.26678	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	639.251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07868	1.1
51.57040	0.9
58.00582	1.6
59.01388	34.8
66.09209	1.1
71.01018	1.5
71.01391	22.2
71.53819	1.7
72.99287	1.8
74.31947	0.9
85.02950	4.2
87.00896	1.4
89.01934	1.9
89.02451	23.0
93.03491	2.2
95.01409	1.6
96.66116	1.2
96.95999	6.6
99.00841	1.4
101.02451	18.0
102.30469	1.0
103.38995	1.0
112.98848	1.0
113.02437	8.9
119.03531	8.4
119.05023	2.9
125.85447	1.0
137.02405	2.9
149.04697	1.3
153.01926	1.1
161.04514	1.6
163.03983	4.1
179.05495	1.2
184.06133	2.6
203.08293	1.5
251.87868	1.1
323.13480	100.0
324.13950	6.8
378.51971	1.1
409.56546	1.4
474.51761	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	639.2464
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
57.48546	1.1
59.01376	2.1
59.57000	1.1
61.98869	1.4
69.77529	7.4
72.13700	1.3
92.05092	1.6
94.06637	7.1
96.96011	3.2
107.03779	21.0
120.04532	2.2
122.06135	79.2
123.06452	2.3
134.06139	12.1
139.02777	7.9
150.05620	1.8
152.07188	98.3
153.07520	4.8
178.86578	1.4
247.08688	1.4
326.13043	2.0
327.70898	1.2
328.14597	1.9
340.11322	1.5
348.01068	1.4
351.12228	1.3
352.10712	1.5
353.11707	1.6
354.12503	6.3
355.13104	1.5
356.14059	3.5
357.14838	2.1
366.12521	2.2
367.09488	6.9
368.10175	4.6
368.14188	4.0
370.15701	14.8
371.15540	2.3
372.16803	2.1
374.15424	1.5
380.10422	2.7
382.11691	12.0
382.16104	1.6
383.12637	11.6
384.13351	1.6
394.12103	2.6
395.12802	3.4
396.13412	5.5
398.09821	2.3
398.15112	43.5
399.15390	5.1
410.15100	20.5
411.15662	4.6
428.16071	1.6
430.17688	4.8
479.94980	1.6
519.23932	4.4
521.21844	1.7
522.22510	2.8
535.23608	7.8
536.24017	2.2
563.23035	100.0
564.23431	14.5
572.55231	1.4
595.25659	39.4
596.25751	6.3
607.22034	61.3
607.31989	3.0
608.22156	8.0
639.14014	2.7
639.24487	34.2
639.34668	2.6
640.24445	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	639.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
56.52083	1.0
57.03445	2.9
59.01108	2.1
59.01386	25.2
62.35536	1.1
63.78576	1.0
67.01904	1.3
68.99820	2.0
69.03456	1.7
71.01386	22.4
72.99323	6.2
73.02937	3.1
75.00877	19.3
81.03477	1.2
83.01375	2.4
85.02958	20.4
87.00880	8.3
89.02454	7.3
93.03465	3.6
95.01375	5.9
96.96070	1.2
97.02917	1.6
99.00893	11.4
101.02444	4.9
103.00364	1.9
106.46918	1.3
111.00873	1.9
113.02450	24.2
115.00389	1.9
117.01957	2.8
117.03516	1.7
119.03535	1.9
121.02956	4.4
122.03751	6.3
123.04530	4.3
124.01662	2.5
125.02438	2.9
129.01945	2.0
133.02956	5.6
134.03745	32.9
135.04530	3.3
136.01634	1.5
139.04015	2.2
148.05283	1.9
149.02420	10.6
149.06081	7.0
149.99606	3.3
150.03235	39.9
151.00299	2.3
151.04042	9.5
160.01692	5.9
161.02403	3.1
164.04868	1.7
165.05579	37.7
168.00638	8.4
175.02429	3.3
175.04007	9.8
177.01994	1.8
178.02740	7.0
179.03511	2.6
179.07185	2.2
180.04286	3.7
181.05084	8.6
193.05058	21.7
195.06599	9.5
211.13428	1.5
231.05141	1.9
249.06125	24.0
252.06604	1.3
253.07045	1.4
259.47241	1.5
267.07236	5.9
313.03372	1.9
345.15588	6.0
381.11938	3.1
387.14621	4.4
425.11035	3.5
442.11154	14.5
443.11716	9.9
444.12256	1.3
457.13638	3.8
535.31702	6.4
536.31891	1.2
553.32623	1.4
580.81177	1.3
621.18146	1.8
639.19226	100.0
640.19592	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	639.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.4
57.03461	4.8
59.01385	30.0
67.01904	1.1
68.99825	3.0
69.03452	2.7
70.51391	2.5
71.01013	2.1
71.01386	30.6
72.99320	6.4
73.02954	5.8
75.00251	1.2
75.00882	17.1
81.03491	1.0
83.01379	3.5
85.02960	21.8
87.00892	8.1
87.04494	4.2
89.02470	7.8
93.03490	1.2
93.07089	1.1
95.01392	4.6
96.96003	1.7
97.02914	1.0
99.00884	9.6
101.02452	7.8
103.00369	1.3
109.02980	0.9
111.00926	1.7
113.02456	23.7
115.00331	1.2
117.01959	1.9
117.03426	1.5
119.03522	3.2
121.02972	8.1
122.03741	3.9
123.04516	3.4
124.01688	1.8
125.02440	1.6
129.01932	2.7
132.02147	1.6
133.02950	3.5
134.03763	27.5
135.04543	5.0
136.01756	1.0
137.02408	3.8
138.05562	1.3
143.10756	5.6
148.05302	1.3
149.02463	9.9
149.04774	1.4
149.06100	7.8
149.99597	1.9
150.03244	27.7
151.04025	9.6
157.01378	1.6
157.08524	1.0
160.01714	5.9
161.02466	2.9
161.04564	1.5
163.04108	0.9
164.04753	1.1
165.05577	24.8
168.00641	2.1
175.02477	2.7
175.04019	8.5
177.01840	1.2
178.02768	4.6
179.03467	1.8
179.07162	1.6
180.04369	2.0
181.05070	9.2
192.04019	1.0
193.05070	20.2
195.06653	5.9
207.04910	1.3
211.13455	1.7
231.05070	2.1
241.14369	1.1
249.06168	25.5
250.06406	3.7
252.06148	1.2
267.06857	6.2
282.09003	3.8
295.10992	1.6
305.11325	1.2
333.23096	1.1
341.10294	4.2
345.11142	1.5
345.15344	2.2
352.21429	1.0
381.12042	3.7
387.14517	1.9
425.10788	2.9
442.11002	7.1
443.11844	8.9
457.13513	2.8
535.31305	42.0
536.31860	2.4
553.32416	7.2
589.16724	2.8
595.33234	1.9
607.17145	2.2
621.18243	4.3
639.19275	100.0
640.19806	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	639.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.7
69.03460	1.8
72.99309	1.2
75.00889	1.1
83.01398	1.0
85.02951	2.4
89.02454	1.8
89.03995	0.7
95.01391	2.9
97.02959	1.1
98.20765	1.2
101.02444	1.9
107.01443	0.7
113.02445	1.7
117.03461	1.2
123.00903	14.9
124.01671	36.0
125.02465	19.4
126.02703	0.8
134.03758	13.2
135.04555	0.7
139.04004	0.7
149.02414	0.7
149.06042	1.8
149.99602	48.5
151.00320	2.9
160.01701	2.3
161.04575	0.7
163.38727	0.6
166.99881	0.7
167.03539	1.2
168.00656	98.7
169.01401	8.0
175.03999	2.2
178.02699	1.3
179.03557	1.1
193.05107	5.2
207.01170	1.0
245.09402	0.7
269.13834	0.9
331.06879	3.3
342.40363	0.7
361.54694	0.7
390.69135	0.7
398.88181	0.7
443.15607	2.0
445.09921	1.3
463.10916	2.9
507.28201	1.6
535.31567	1.5
617.44849	0.8
639.15723	100.0
639.33685	2.7
640.16046	12.4
653.05560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.2
59.18291	0.3
61.98834	100.0
69.94260	1.8
71.01379	1.3
85.02985	0.5
89.02464	0.5
96.96011	2.1
98.19916	0.5
101.02448	0.6
110.60818	0.4
110.61696	0.4
113.02487	0.5
176.94669	0.4
195.45888	0.4
209.11861	1.0
210.12190	0.6
265.05096	0.4
282.05515	0.6
528.35004	0.4
638.29028	0.6
639.10730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10126	2.5
52.11017	2.0
55.89932	1.9
58.02985	9.7
59.01381	5.8
62.39328	2.2
62.41174	2.2
63.30742	1.9
64.16882	2.1
69.57399	5.1
69.57806	7.8
70.02999	3.8
71.01402	4.3
72.00924	3.6
91.05566	4.4
101.02480	3.3
106.51685	2.1
147.04543	21.2
149.04514	2.3
155.46054	2.3
164.07176	55.4
165.97705	2.5
206.08235	100.0
207.08594	6.9
265.14932	2.3
284.58420	2.3
356.27316	2.3
491.16571	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	637.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13251	1.6
55.01897	2.2
57.03443	2.5
58.00596	2.0
58.02975	5.3
59.01385	100.0
61.09182	1.5
61.98840	1.9
69.79474	7.7
70.02966	3.8
71.01389	50.2
72.99319	4.8
73.02949	28.3
75.00873	2.3
75.53612	1.7
83.01389	10.7
85.02953	17.1
87.00897	4.0
87.95211	1.4
89.02453	43.6
91.05553	1.9
95.01389	7.0
96.96015	6.4
97.02983	1.8
99.00905	3.9
101.02453	36.9
101.75250	1.6
102.02815	2.0
105.50847	1.6
109.55309	2.0
111.00848	1.6
113.02463	35.9
119.03522	17.5
119.05054	2.0
125.02448	4.5
129.01886	1.8
131.03539	2.3
135.04535	1.6
141.27139	1.9
142.72879	1.6
143.03496	6.4
147.04532	10.7
149.04568	3.0
153.01941	1.9
161.04536	9.2
164.07161	29.0
179.05641	10.6
197.04506	3.2
206.08235	49.0
239.85608	1.5
353.69458	1.5
371.20700	3.2
387.16647	10.2
415.15292	1.7
533.26062	74.9
534.26666	7.6
551.27106	44.8
552.27539	4.2
593.28223	17.4
594.28552	3.3
601.27118	2.1
637.24261	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	637.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.8
61.98824	2.0
63.56409	0.5
63.96238	0.8
71.01396	4.9
71.55162	0.5
73.02964	1.0
78.79827	0.5
78.95911	1.7
78.98603	4.0
79.95744	5.7
80.96526	40.6
81.03457	0.6
85.02937	1.8
87.00873	2.1
94.98100	10.6
96.96012	0.9
97.02953	1.4
99.00875	0.6
101.02434	1.6
101.03076	0.5
106.98104	1.6
122.97591	2.5
125.02467	2.3
131.25319	0.5
134.97612	3.8
136.99123	1.0
148.99129	4.0
152.98607	3.9
152.99626	0.9
164.98633	8.2
171.00699	1.1
206.99699	1.8
220.54076	0.4
225.00766	12.9
226.01067	0.5
255.23260	2.1
259.05652	0.5
299.04419	10.8
325.23663	0.5
339.16177	0.7
464.17133	0.5
555.28467	100.0
556.28748	13.8
577.25598	0.6
637.27539	2.0
637.37823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03429	0.7
58.02981	9.6
58.23929	0.8
59.01385	7.0
69.60916	0.9
70.02985	4.7
70.47556	3.2
71.01410	1.4
72.00924	4.1
89.02470	0.9
90.53381	0.9
91.05545	4.1
103.43288	0.8
104.15173	0.8
147.04538	21.7
164.07181	59.6
165.07513	2.0
181.05061	0.8
185.68767	1.0
200.07893	0.9
206.08238	100.0
207.08577	5.0
207.10304	1.0
250.07172	1.0
387.16571	18.0
388.16827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15072	0.8
53.27944	0.7
58.00602	0.7
59.01384	30.7
59.22089	0.7
70.19640	2.7
71.01386	18.6
72.99322	1.5
73.02960	1.0
79.27907	0.6
83.01394	0.7
85.02959	2.8
85.44363	0.6
87.00880	1.2
89.02450	20.4
95.01407	1.9
98.20609	0.8
101.02444	12.5
113.02448	6.4
113.93507	0.7
115.03986	0.6
119.03504	9.7
119.25074	0.6
149.04536	1.2
152.01143	0.9
161.04640	0.9
163.06114	2.4
179.05542	1.5
206.23779	0.7
295.10355	100.0
296.10754	4.2
309.11929	7.8
462.16547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.7
59.01107	3.9
59.01385	48.3
68.22486	2.7
69.27213	22.8
71.01395	22.4
72.99324	2.7
73.02943	9.0
75.00887	7.3
83.01393	5.6
85.02946	11.7
87.00881	10.4
89.02438	14.5
93.03434	3.0
96.96024	26.0
98.20686	4.7
98.95579	4.1
99.00873	5.6
101.02448	12.0
103.04057	2.5
105.12840	2.6
113.02467	10.4
116.92865	3.2
119.03488	4.8
121.02964	5.8
123.04568	3.9
125.02505	3.0
130.99870	5.1
134.03702	5.0
135.03041	5.2
135.04514	5.3
137.02499	4.4
137.06097	4.8
145.02962	2.8
147.04521	3.3
149.02446	16.4
149.04538	4.1
150.03247	3.9
152.01157	3.1
160.01610	2.4
161.02495	3.1
161.04567	2.4
163.04024	6.8
164.04771	13.3
165.05513	3.4
175.04021	15.2
179.07251	2.7
180.04279	7.9
188.04701	4.0
189.05551	5.1
190.02730	4.9
190.06375	21.2
191.07161	14.7
192.04372	4.6
193.05049	13.4
194.05832	4.5
203.07271	2.6
205.05072	5.9
205.08667	16.1
207.06702	5.9
208.07448	14.3
223.06157	23.3
254.04318	3.6
343.21246	4.4
359.10574	5.1
359.15033	100.0
360.15222	7.8
389.16248	4.0
494.93475	2.7
505.26730	12.7
533.29596	3.3
593.31799	18.1
594.32489	2.8
637.33459	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	636.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06352	0.8
51.55111	0.9
52.36841	1.0
58.02979	10.6
59.01383	13.4
60.30131	0.9
60.55244	0.9
69.63551	6.5
70.02976	5.7
71.01392	5.8
72.00917	1.8
73.02944	2.4
73.35624	0.9
78.63371	1.1
85.02938	1.9
86.20432	1.0
89.02437	5.8
91.05537	3.7
93.03475	1.1
96.96013	4.3
101.02454	4.2
113.02469	3.9
119.03505	2.1
125.02396	1.0
134.03708	1.8
143.03514	1.5
147.04538	18.5
149.02463	0.9
164.07173	51.4
165.07527	1.9
180.04202	1.1
195.06642	1.2
206.08234	100.0
207.08554	4.2
210.04160	1.3
250.07320	1.2
282.05310	2.6
283.05563	1.1
290.56366	1.0
295.97342	1.1
493.82831	1.1
532.24854	4.5
533.26099	2.5
551.27258	1.8
636.15747	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	637.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.8
59.01110	2.0
59.01387	29.7
61.98828	1.8
69.31145	10.9
71.01385	13.0
71.94022	1.3
73.02949	3.6
75.00877	2.6
83.01387	2.2
83.05026	3.0
85.02977	6.4
87.00410	2.1
87.00890	26.0
88.98800	4.5
89.02470	10.3
92.95288	1.1
93.03466	4.1
96.96036	8.5
97.06585	2.9
99.04531	6.8
100.34740	1.2
101.02451	8.7
106.73154	1.1
107.05037	9.8
108.02192	1.8
109.06608	1.2
111.04512	1.7
112.05312	9.4
113.02423	6.2
113.32985	1.4
117.03467	1.2
119.03503	4.4
119.75518	1.2
121.02970	30.0
122.03739	4.7
123.04520	1.6
125.02489	1.5
130.99873	11.4
133.05054	1.3
134.03764	1.4
135.04543	2.1
137.02415	4.3
139.03960	1.6
142.41956	1.2
147.04549	11.7
148.01729	1.3
148.05339	2.6
149.02417	3.0
149.04518	3.2
154.02733	1.7
160.01610	1.2
161.02432	2.5
161.09837	1.6
162.44574	1.3
163.04021	7.9
164.04758	4.1
167.03467	6.0
171.87346	1.1
172.05345	1.2
176.01266	1.6
179.05672	2.8
190.02838	1.9
191.03566	6.5
191.10762	3.5
192.04228	1.9
193.05043	1.3
194.02170	2.8
201.09149	2.1
214.73605	1.4
219.10207	2.1
235.13338	7.0
254.04344	11.9
262.48398	1.3
269.04596	18.7
270.05035	1.4
284.03336	1.3
285.03961	4.6
289.10678	1.8
291.08752	5.3
299.05679	2.5
323.09622	1.5
351.10876	100.0
352.11200	6.5
353.08768	1.9
373.25787	11.3
457.26013	10.1
463.15634	1.6
505.29910	2.8
519.31616	1.6
593.34247	1.5
630.03284	1.6
636.32141	1.8
637.15283	5.3
637.33777	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	635.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
70.71350	2.3
71.01404	2.0
74.46320	1.1
80.96421	1.1
85.02975	1.1
85.53535	1.0
85.96349	1.1
86.15778	1.3
89.02458	3.9
101.02489	1.7
119.03521	2.5
129.38231	1.2
253.91971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26375	0.2
59.01384	2.1
60.01712	0.2
61.98837	100.0
67.01865	0.2
69.93880	0.5
71.01393	0.8
73.02974	0.3
85.02927	0.2
89.02490	0.7
96.96033	1.5
98.20017	0.2
101.02496	0.4
113.02453	0.3
113.68409	0.2
119.05081	0.2
137.02454	0.2
154.55148	0.2
160.01711	0.2
161.02466	0.2
162.12909	0.2
175.03978	0.2
234.99937	0.2
284.03287	1.3
299.05557	2.0
395.14151	0.2
575.20856	0.4
576.20740	1.8
636.33746	0.2
637.15857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22305	0.7
59.01385	39.1
61.98836	6.3
69.69849	1.8
69.70261	3.4
71.01389	3.4
73.02944	1.9
81.03468	0.7
82.25809	0.9
83.01393	1.5
83.05062	4.0
85.02945	2.0
87.00906	1.3
89.02465	1.5
91.43019	0.8
96.96020	2.6
101.02438	2.3
109.06585	0.9
113.02471	1.3
116.85941	0.8
121.02987	0.9
125.02495	1.2
146.94237	0.8
163.07753	1.1
163.11267	1.8
165.12837	1.3
171.10320	7.4
209.11845	100.0
210.12114	5.9
219.14084	0.8
221.11879	0.9
227.12862	10.9
233.49586	0.8
247.13469	2.3
431.15521	1.3
449.25372	1.1
475.26941	1.9
493.27997	1.6
557.63739	0.9
635.38116	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	635.2736
Annotation	Insularine 2beta-N-oxide
Peak:m/z	Relative Intensity
55.01860	1.9
57.03448	1.6
59.01120	1.3
59.01387	22.0
65.00328	1.7
69.39216	1.2
69.88890	5.1
71.01387	15.8
72.99325	1.7
73.02946	4.2
75.00860	3.3
79.95761	2.8
83.01384	3.0
85.02949	3.8
87.00883	2.4
89.02458	7.3
90.98561	2.0
96.96023	60.9
99.00911	1.3
99.04530	1.3
101.02461	8.4
107.01388	2.5
110.06085	1.5
113.02446	5.3
119.03481	4.0
122.06123	6.6
123.25602	1.3
124.07674	1.6
131.03520	1.7
133.02983	12.6
134.03726	4.7
134.06126	7.7
135.03033	1.8
135.04495	5.8
135.06764	1.9
136.07607	1.9
137.02455	2.5
138.05659	2.4
139.06474	1.5
140.07214	7.4
146.06142	11.8
148.04164	2.4
149.02463	1.2
149.04698	4.6
150.03238	2.1
151.00380	7.9
152.07156	2.3
161.04616	1.8
162.05602	5.1
164.03557	1.8
164.07179	3.1
165.05557	2.1
166.05089	4.3
177.01968	6.9
178.02708	5.1
179.03464	3.9
179.05798	3.2
179.10750	2.2
187.11290	2.9
188.55728	1.3
193.05080	3.8
195.08481	1.3
205.12444	1.3
212.10812	3.1
215.11906	1.5
226.07478	5.4
226.12396	11.3
227.08241	28.8
227.11784	2.4
228.08725	1.4
239.08324	2.8
240.09044	5.9
241.09843	43.7
242.10582	11.1
243.11195	4.3
253.09746	2.6
254.10616	2.0
255.11414	20.4
255.15599	1.5
261.12619	1.9
269.12955	36.1
270.10217	1.4
270.13501	4.0
271.10767	3.4
271.14462	6.2
273.12451	5.1
285.12375	4.9
286.13290	1.3
295.10645	1.6
297.12012	3.4
299.01953	1.6
301.11905	4.5
303.13565	10.1
313.11984	8.0
314.12704	5.0
315.13455	8.2
339.08792	24.6
340.09570	1.3
366.14587	4.3
369.13538	1.5
378.17941	1.5
380.16129	4.4
381.16867	2.7
394.17792	5.4
408.15707	4.4
422.17267	2.8
438.16663	2.2
446.65552	1.5
452.18854	1.9
453.18985	11.8
454.19928	3.1
455.19147	4.9
459.22208	2.1
492.29251	1.1
503.21500	3.6
531.28375	1.7
575.25208	21.6
576.25409	4.0
588.85535	1.5
591.30389	2.8
599.25098	1.8
617.26190	100.0
618.26392	14.6
635.27179	63.4
636.16833	2.6
636.27692	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.6
58.00601	2.2
59.01386	100.0
63.58770	1.6
71.01390	57.3
71.54565	2.0
72.99317	3.6
73.02958	25.8
83.01402	8.1
85.02966	16.3
87.00882	5.0
89.02457	36.0
95.01402	6.6
96.96021	9.1
99.00893	4.5
100.60172	1.5
101.02448	33.7
101.70448	1.7
107.41061	1.4
109.02907	1.7
113.02464	38.9
119.03516	20.5
120.01249	1.4
125.02412	1.9
130.15056	1.5
131.03539	3.2
133.02997	2.0
135.04504	4.1
137.09694	1.6
143.03520	5.0
147.04469	2.4
149.04523	4.9
161.04590	16.3
164.07193	3.1
167.03511	1.8
175.03932	1.6
177.01854	3.1
179.05600	11.5
180.04228	1.4
195.06670	2.4
206.08286	7.3
211.07742	2.0
221.06596	1.8
226.06412	5.7
241.08755	5.0
369.19153	3.6
387.20532	1.8
423.92819	1.4
531.24554	41.1
532.24896	6.0
549.25415	19.2
550.26178	2.0
591.26385	10.4
635.18915	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	635.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	8.1
69.51064	6.7
71.01379	5.0
81.03460	1.0
85.02957	2.4
89.02478	2.5
95.01343	1.1
96.96017	10.6
98.19993	2.1
99.00880	1.1
101.02453	3.0
101.07859	0.9
108.04579	2.0
110.06151	1.2
113.02458	3.8
118.06474	1.0
122.06138	5.7
124.07687	1.4
125.02461	1.4
133.03027	1.1
134.03719	0.9
134.06126	4.9
135.06949	1.8
136.07703	3.3
137.04814	1.4
138.05577	1.1
139.06346	1.3
140.07184	8.0
146.06117	8.2
147.06892	1.3
148.07561	1.2
149.04768	3.0
162.05612	4.6
164.03555	2.1
164.07146	3.7
166.05081	1.8
167.05885	1.4
168.00639	3.0
179.05850	2.8
201.11380	1.8
209.11781	2.9
212.10817	4.8
213.10393	2.5
215.11707	1.1
225.06854	1.2
226.07472	4.9
226.12433	12.0
227.08266	26.9
227.11810	1.8
228.08607	1.1
229.09874	1.5
239.08249	2.6
240.09065	5.4
241.09830	35.4
242.10524	10.8
243.11327	4.0
253.09860	1.3
254.10594	3.6
255.11407	23.1
256.11807	1.7
261.12363	1.6
269.12949	32.0
270.13565	3.4
271.10938	2.2
271.14496	5.8
272.08023	2.2
273.12579	5.8
284.11774	1.7
285.12384	4.9
286.09628	1.2
301.11887	4.3
302.12674	1.9
303.13501	11.4
313.11914	9.3
314.12558	6.5
315.13568	9.0
364.16812	1.8
366.14526	3.7
380.16095	5.8
381.16907	2.1
394.17770	3.8
408.15536	5.8
409.20132	1.5
422.17212	2.1
438.16824	1.6
452.18143	1.4
453.18997	15.1
454.19812	5.1
469.57715	1.2
575.25220	25.2
576.25323	4.3
599.25830	2.7
617.26129	100.0
618.26361	13.0
635.17889	3.4
635.27307	28.5
636.27759	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	635.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.4
57.03446	6.2
59.01383	75.3
69.78947	9.7
71.01389	68.7
72.99326	2.6
73.02953	24.0
77.68572	1.6
83.01398	9.5
85.02961	26.3
86.00105	2.0
87.00890	5.7
89.02453	31.7
95.01395	6.0
96.96027	8.0
97.02956	4.4
98.20640	3.2
99.00882	6.9
101.02454	38.1
113.02460	39.7
117.03480	5.0
119.03499	11.4
119.04966	2.6
125.02451	8.3
131.03481	3.0
133.02992	2.1
135.04536	2.4
143.03532	12.0
147.04547	2.1
149.04581	7.8
159.03004	3.7
160.01682	3.1
161.02472	3.8
161.04573	27.1
161.39088	1.9
165.01949	3.3
175.03961	4.3
179.05617	6.5
193.05222	2.2
195.06598	3.8
211.07678	2.0
235.05978	1.9
265.08566	2.0
268.03711	3.8
269.04440	1.8
281.04547	5.7
282.05380	10.9
283.06046	13.1
293.04614	1.8
297.07413	2.8
311.05713	29.3
323.05508	2.8
327.08871	2.8
339.08701	4.9
341.06729	1.9
353.06705	5.4
369.19104	3.8
370.41348	2.1
383.07785	4.3
387.20282	3.4
431.09787	24.6
455.09604	2.5
457.20731	2.5
473.11035	5.9
494.65073	1.8
515.12036	9.9
531.24500	100.0
532.24548	9.3
549.25604	25.5
564.55762	2.3
591.26538	7.2
635.15613	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	635.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.0
57.03460	3.4
59.01385	75.7
69.72936	1.4
69.77914	8.3
71.01390	66.2
72.99326	3.0
73.02950	17.2
75.00887	2.4
83.01402	9.3
85.02963	23.5
87.00876	4.3
89.02451	31.4
93.03490	2.9
95.01388	4.9
96.96010	6.7
97.02961	3.7
99.00890	6.1
101.01804	2.5
101.02460	43.1
111.00906	1.5
113.02460	38.7
119.03503	8.7
119.04961	1.8
125.02464	8.4
131.03506	3.2
137.02457	1.9
138.05666	1.9
143.03514	11.1
149.04553	6.3
159.03046	2.4
161.02405	1.8
161.04555	20.7
165.05528	2.8
175.04018	2.5
179.03552	2.4
179.05594	8.0
180.04237	2.4
195.06619	4.6
221.06610	2.1
260.69098	1.6
268.03778	3.0
281.04538	3.6
282.05380	10.2
283.06082	14.1
295.05750	2.0
309.07507	2.0
311.05615	26.1
312.06009	2.1
323.05731	2.6
327.08594	4.1
339.08548	5.3
353.06604	4.2
383.07831	3.6
387.20233	3.6
396.44586	1.8
431.09875	21.6
473.10815	3.4
501.23508	2.0
515.12482	7.5
515.18530	1.8
531.24542	100.0
532.24908	9.6
549.25635	24.3
550.26172	3.5
591.26923	7.7
635.15137	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2512
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
59.01386	6.3
61.57817	1.3
61.85729	1.1
61.98828	2.5
62.85382	1.2
70.18938	1.2
71.54171	1.4
71.54585	1.8
75.76757	1.3
131.21193	1.0
188.51622	1.3
213.09196	2.5
219.06534	1.9
225.09132	1.2
294.19833	1.3
304.51157	1.2
419.19012	1.8
430.13919	2.1
431.18723	4.5
445.16254	3.0
458.17560	3.0
473.15256	2.0
473.20340	1.9
474.16852	5.4
475.17822	3.2
487.17950	1.9
488.18463	5.1
489.19379	3.2
490.19730	2.7
501.18573	1.8
505.22440	3.6
549.21509	1.6
560.21002	2.1
561.21704	1.3
575.23120	13.8
576.23724	8.0
603.22577	2.4
635.25104	100.0
636.25409	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	635.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20354	0.4
57.03449	0.5
59.01384	4.9
71.01395	2.3
71.54984	0.7
72.99332	0.5
73.02937	0.8
75.00871	0.6
79.31922	0.3
85.02946	1.0
87.00892	0.5
89.02450	1.3
93.03469	0.4
96.96020	3.1
99.04524	0.5
101.02435	1.1
111.00838	0.4
113.02449	1.1
113.71786	0.4
119.03577	0.4
136.01691	0.5
136.07626	0.4
137.53348	0.4
149.04562	1.1
151.03973	0.8
165.05743	0.7
165.07108	7.8
167.05034	2.6
179.05803	0.4
179.10786	0.6
181.05093	0.4
197.04520	1.1
208.05354	0.4
209.06091	100.0
210.06400	5.1
233.06087	1.1
251.07199	0.5
255.11447	0.4
263.07672	0.4
269.12970	0.4
281.04456	0.7
295.06357	0.3
307.42618	0.3
353.10379	2.0
370.12036	0.4
371.11383	18.7
372.11691	1.6
376.27454	0.4
387.14755	1.3
413.12399	5.8
414.12732	0.6
459.22183	0.6
503.21536	0.8
575.25220	0.6
591.29993	0.9
617.26233	1.5
635.18060	0.4
635.27850	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03448	1.6
57.89185	0.5
59.01384	19.3
60.01733	0.7
60.99312	16.2
61.98811	1.4
63.51227	0.5
69.20409	3.0
69.20840	2.0
71.01389	6.5
72.99287	1.4
73.02953	2.4
75.00877	8.8
83.01382	1.4
83.05052	0.7
85.02964	3.0
87.00872	1.6
88.98814	100.0
89.02448	3.9
89.99162	0.9
95.01374	0.6
96.96024	11.2
98.95626	3.3
98.96381	0.5
99.00880	1.5
99.04549	1.3
101.02450	3.6
113.02473	3.1
116.92814	0.5
119.03542	0.8
119.05077	0.6
121.12271	0.5
123.04535	0.5
125.02445	1.3
129.01973	1.7
134.03781	0.6
135.02992	0.7
136.07677	0.6
137.02516	0.5
147.51886	0.6
149.04575	1.8
150.56265	0.6
160.01640	0.6
161.04607	1.3
165.04051	17.5
170.15785	0.5
176.23653	0.6
193.05115	1.1
212.47652	0.5
227.10834	0.8
239.03506	1.8
267.03149	3.5
276.51880	0.6
282.05341	10.1
285.04138	0.7
297.07681	13.6
298.08020	0.6
307.06183	0.7
371.10675	0.8
371.14908	2.6
503.32712	0.7
515.32227	1.6
517.30341	0.7
531.33234	0.6
591.33789	2.4
635.31641	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	633.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73141	1.1
51.03345	1.2
53.93349	1.0
116.88011	1.0
122.89025	1.1
167.08633	1.3
169.06659	1.1
177.01883	1.3
221.02568	2.4
223.07634	2.3
239.06966	1.8
267.06537	12.5
283.07849	2.4
311.07330	12.7
335.25653	1.1
365.15649	10.2
473.10724	1.1
484.09726	1.1
527.15283	1.9
563.15491	2.5
574.16412	2.2
575.15070	7.7
576.15784	1.5
633.23071	100.0
634.23340	16.4
638.32416	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	632.9836
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36771	3.6
59.01382	88.1
61.98841	10.7
65.49316	3.8
71.26853	3.9
71.53291	5.8
96.96023	8.4
109.28902	4.4
132.98219	5.5
159.01509	16.4
174.99237	26.2
176.97980	4.9
201.02576	46.0
203.02267	6.4
217.00290	71.2
218.00551	5.6
228.14876	3.5
239.78580	4.4
248.03067	3.7
274.85245	13.1
288.83234	70.7
290.82834	39.9
290.97128	6.1
292.86157	9.4
297.17932	3.6
303.81870	14.7
305.81528	8.8
314.86630	4.2
316.86151	17.2
317.00378	29.0
318.00735	4.5
330.84253	67.8
331.84341	4.2
332.84018	38.3
332.98102	25.1
362.80405	5.4
364.79523	7.3
374.99121	14.4
380.81207	5.2
382.80710	4.9
390.83197	11.1
404.81232	33.1
406.80634	24.6
427.01489	4.1
448.81769	4.9
474.85425	42.7
474.99268	14.7
488.83182	100.0
489.83282	5.0
490.82901	86.1
490.97070	10.2
572.96118	11.2
632.84302	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25952	0.1
53.38407	0.1
57.03447	0.5
59.01387	4.4
61.98834	0.2
70.92701	0.3
71.01380	1.6
72.99303	0.3
73.02967	1.1
75.00878	0.6
79.95741	2.6
83.01386	0.2
83.05066	0.2
85.02934	1.0
87.00883	0.3
88.98788	0.2
89.02444	0.9
96.96021	100.0
97.05602	0.2
97.95925	0.3
98.95625	0.2
99.00899	0.2
99.04531	0.4
101.02451	1.3
113.02455	1.0
114.93433	0.5
116.92870	0.2
119.03500	0.3
120.82487	0.2
125.02467	0.4
129.01964	0.2
131.03503	0.2
149.04552	0.8
165.04068	0.2
177.01932	0.3
193.04895	0.3
207.06682	0.2
222.61514	0.2
267.07101	0.2
409.13083	0.2
499.19083	0.2
533.26007	0.2
631.18915	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	632.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93879	0.5
54.72623	0.6
57.03457	1.0
59.01386	9.3
59.38235	0.6
61.98832	1.6
69.03471	0.8
70.09109	0.9
70.09496	1.3
71.01382	4.3
71.19660	0.5
71.66486	0.5
72.99329	0.9
73.02950	2.3
73.04071	5.1
75.00905	0.6
80.21445	0.5
82.06599	0.5
83.01396	0.9
83.02518	1.4
84.00912	1.6
85.02972	2.8
87.00891	1.1
88.98795	0.9
89.02438	1.5
95.01389	0.6
95.02509	2.7
96.96022	4.6
97.02920	1.0
99.00892	0.6
99.02010	3.4
101.02470	2.1
112.05206	2.6
113.02473	2.3
113.03599	2.9
121.02963	1.5
125.02431	0.6
126.09291	1.0
127.05154	0.5
129.10353	6.2
130.06232	4.4
130.08757	0.6
135.04469	0.6
139.08777	1.5
140.07204	0.8
141.10356	1.1
149.04608	0.8
151.04057	0.8
151.08754	5.5
152.07172	1.2
155.08270	2.7
156.04160	0.7
165.04053	1.1
165.10376	0.7
167.08244	0.8
168.11469	3.0
169.07416	2.6
169.09850	5.8
170.05739	0.8
175.03995	0.6
182.12967	1.0
186.12517	8.4
187.08379	5.1
196.11067	0.5
200.14105	0.5
207.14943	1.5
208.10988	0.5
212.10370	1.3
213.09200	0.6
224.17715	1.3
225.11565	0.7
225.13647	7.0
225.15865	1.2
226.11981	0.8
238.19319	1.0
242.18802	3.1
243.14606	9.4
249.06081	0.9
254.18686	0.7
257.16147	0.9
265.13043	1.0
268.16617	1.3
269.12628	0.7
281.19858	4.5
283.14236	0.9
299.20959	5.3
300.16742	1.6
313.22583	0.7
325.18774	1.0
340.16226	2.5
356.23029	1.1
357.18835	3.8
371.09924	1.2
396.22464	7.5
397.22620	1.1
412.29382	0.6
413.25232	7.1
452.28708	1.8
453.24774	0.9
457.24316	2.0
469.31516	2.9
489.34418	1.4
491.36075	0.6
509.31836	0.8
566.33093	100.0
567.33301	12.4
578.32574	1.3
589.32520	1.0
596.34204	5.3
597.34833	1.1
632.31207	4.1
633.21899	1.9
633.29517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	51.2
60.99301	1.7
64.16592	1.1
66.17864	1.4
69.22913	7.9
69.23346	4.5
71.01392	17.3
72.99300	1.4
73.02959	7.8
75.00897	1.5
83.01392	2.8
85.02946	4.2
87.00890	2.3
88.98823	6.2
89.02457	11.5
89.94569	1.2
95.01380	2.7
96.64988	1.5
96.96032	11.5
101.02441	10.6
113.02463	6.6
119.03514	4.7
133.03015	1.7
135.04536	1.4
143.03491	1.4
149.02388	2.2
149.04593	1.5
161.02457	15.1
163.00374	3.0
164.01170	33.6
164.02448	2.6
165.01538	1.3
171.45137	1.3
173.06088	3.5
175.07709	2.5
176.04791	1.5
177.01949	4.5
179.03491	6.2
182.00580	1.2
189.05592	1.6
192.00673	5.2
201.05653	1.7
207.03009	11.0
217.05067	1.5
299.05515	1.6
311.79044	1.3
351.08798	4.2
361.07092	4.6
363.08783	1.9
376.05573	2.6
376.09760	2.8
379.08160	1.6
391.07526	12.3
391.12793	9.9
392.08252	1.8
394.10434	1.5
408.11902	1.5
409.12988	14.5
474.59293	1.5
513.26984	2.0
517.24243	1.3
556.16003	1.6
571.18250	100.0
572.18445	9.9
603.16870	3.1
613.15747	6.1
631.18060	2.2
631.28833	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	631.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03429	1.1
59.01385	22.9
61.98833	1.1
63.63507	0.5
65.00336	2.3
66.74319	0.5
68.99843	1.1
69.37291	0.9
69.37696	3.2
71.01391	12.0
72.99326	0.8
73.02952	11.0
75.04340	0.4
75.87201	0.4
79.05508	1.2
83.01402	3.3
85.02954	2.3
87.00866	0.9
89.02458	3.7
94.20279	0.5
95.01402	1.7
96.96012	2.2
98.20684	1.1
99.00919	1.0
101.02466	7.8
103.05521	0.9
105.07144	0.5
107.05035	1.7
109.02963	0.5
110.00148	0.6
113.02467	3.0
117.03462	0.6
119.03505	0.7
123.00887	0.6
125.02469	1.2
129.07095	0.9
131.05121	2.3
133.02957	1.7
137.02417	0.6
139.00394	0.5
141.01678	0.5
147.08156	0.8
149.02472	1.2
149.04837	0.7
149.06085	5.1
152.01120	0.7
159.04509	0.8
161.02464	12.1
161.04587	0.8
161.06067	0.7
162.06847	1.4
163.00381	1.6
165.01884	0.6
167.81743	0.5
172.88245	0.5
173.06093	4.1
175.00447	0.7
175.04037	2.4
176.01184	0.6
177.01955	4.2
187.00349	1.1
189.05527	1.3
190.06343	2.2
191.07129	3.2
193.05057	0.9
203.03496	2.0
215.03557	0.7
217.05078	12.1
218.05807	3.0
219.06606	2.4
229.01390	1.6
235.06107	1.6
244.03719	1.6
255.06786	0.7
256.07449	0.9
307.09698	0.8
309.07678	1.0
323.09253	1.0
333.07730	2.3
335.09433	2.3
337.15283	0.5
351.08713	1.5
353.06567	1.0
361.07236	3.9
369.09549	0.6
379.08200	13.0
380.08582	1.3
381.09509	0.7
390.86932	0.5
391.11911	1.2
393.09641	1.1
394.10489	3.9
395.11267	2.5
397.09393	1.7
409.12939	37.2
410.13315	3.1
412.11465	0.9
413.14575	1.0
427.14227	3.0
439.12311	2.4
489.34549	1.3
541.12921	0.8
571.18164	3.3
583.14825	1.6
589.19501	4.2
590.20032	0.7
601.15759	2.9
602.16425	0.7
616.18146	2.9
631.20325	100.0
632.20709	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	631.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.9
57.03491	0.8
58.00636	0.9
59.01114	2.3
59.01384	49.3
65.44704	0.5
69.03503	0.8
70.84950	1.3
71.01390	17.9
72.99361	0.7
73.02953	24.0
75.00936	0.9
81.03542	0.5
83.01403	6.6
85.02962	3.7
87.00945	1.5
87.68060	0.6
89.02449	4.8
89.04027	1.0
89.07375	0.6
95.01451	1.6
96.96017	9.2
99.00890	1.1
101.02454	18.5
105.03576	0.6
107.05080	0.9
109.03040	2.2
113.02469	7.6
117.03564	0.6
119.03596	1.9
121.03013	1.2
123.00907	3.7
123.04582	0.6
131.03571	1.3
133.02975	7.1
133.03880	0.6
135.00923	0.6
135.04588	2.1
135.70546	0.5
136.01688	0.6
138.03253	2.6
140.04611	0.4
143.03575	1.7
148.05371	1.0
149.02452	3.4
149.04619	2.1
153.05659	1.4
157.06599	7.2
159.04572	0.9
161.02478	5.6
161.04539	5.2
163.00484	0.6
163.04063	1.0
163.07735	1.3
165.01973	1.1
175.04076	0.7
175.07658	4.1
176.04768	0.6
177.01950	33.9
178.02365	1.0
181.46164	0.5
187.04083	1.2
189.05605	1.2
191.03624	1.9
192.04303	42.7
193.04768	1.8
193.08856	0.5
201.05592	13.9
202.06197	0.7
203.07239	0.6
205.05161	0.8
207.06642	34.4
208.07050	1.8
217.05122	1.4
219.06693	1.1
237.09892	1.4
243.06633	0.7
255.06491	0.9
305.08417	1.0
308.07120	1.4
309.04120	0.7
311.05933	0.6
323.05521	0.7
337.07144	0.9
349.07071	0.6
351.08746	4.1
353.10434	1.2
355.14383	0.6
361.07281	0.9
365.10278	1.6
366.11084	0.7
367.11877	1.4
376.09680	0.6
377.10391	1.0
379.08130	7.8
379.11975	0.7
380.08197	0.8
391.11969	2.1
392.12598	0.6
393.09882	0.8
394.10614	5.2
395.10959	1.4
397.13376	0.6
409.12943	100.0
410.13220	10.3
411.14462	3.0
419.55984	0.5
423.13104	1.5
424.13367	0.6
427.13837	4.7
428.14505	0.7
465.14139	0.6
529.16943	0.9
571.18213	7.9
572.18970	1.2
578.90662	0.7
589.19128	4.0
601.19641	2.8
609.80316	1.8
610.30951	0.7
631.20233	25.2
632.20825	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	629.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76176	0.5
70.12193	1.1
80.69241	0.5
83.05030	3.0
93.03432	0.7
106.04242	1.1
107.05038	1.2
113.34111	0.5
119.05045	3.4
135.04567	1.0
138.03235	0.6
143.05025	0.8
149.02399	0.8
157.06599	2.7
159.08145	0.7
161.02409	0.8
169.06445	0.6
171.08150	1.2
173.02460	1.0
173.05994	0.6
173.09708	1.7
175.03992	0.7
182.07289	0.5
183.08110	1.5
185.09761	1.1
187.07648	0.6
195.08136	1.5
201.09198	0.6
201.75937	0.4
203.07220	0.9
204.08063	0.4
208.08896	0.6
209.09724	1.3
210.10347	0.5
211.11273	0.6
213.09183	0.6
215.07167	1.1
223.07640	0.6
225.09259	3.2
226.09906	0.8
229.08702	0.8
237.09247	2.6
242.09689	0.5
247.11263	1.0
248.11867	0.5
249.12822	1.0
251.07133	1.9
251.14371	4.3
252.07671	0.7
253.08765	0.8
261.12775	2.7
263.07071	1.0
263.14304	1.5
265.08710	6.0
265.65778	0.5
266.09210	0.6
269.08264	0.9
270.08841	1.1
275.14420	0.9
277.13004	0.8
277.15958	4.9
279.13898	0.8
281.08234	1.3
291.10156	0.8
293.15469	0.7
295.16852	1.0
302.07959	0.7
304.11209	1.1
305.11783	1.0
305.19089	2.9
319.13214	0.6
320.14041	0.6
321.14926	1.6
321.18610	4.6
321.50500	0.5
323.12863	0.9
329.18924	0.7
331.20746	1.2
339.16031	1.4
347.20108	2.4
363.19727	0.7
365.21225	0.6
373.18134	4.4
375.19653	27.4
376.19943	2.6
390.18109	0.7
391.19165	100.0
392.19482	10.1
393.20544	4.5
408.19223	1.0
409.20129	2.1
507.34644	0.5
516.69580	0.5
520.54193	0.5
525.62823	0.6
629.38446	12.2
630.38959	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	629.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92292	1.6
53.59597	1.8
55.26674	1.6
61.98831	2.1
71.41662	3.4
81.03455	1.9
107.05090	3.6
108.46429	1.8
119.05068	6.3
121.02985	8.4
122.03817	3.0
128.81718	2.1
135.04561	4.6
135.83743	1.8
137.02518	2.3
149.02481	3.2
161.02510	2.1
161.24599	1.8
169.38986	1.9
175.04024	2.9
198.94362	1.7
203.07132	4.3
211.07681	6.4
212.08420	2.2
215.07217	2.2
217.08783	2.9
223.07726	3.2
225.09232	35.4
226.09703	2.1
235.07727	2.4
237.09164	10.3
251.07065	2.8
256.07349	9.0
261.12894	2.4
263.07175	4.9
264.07986	2.4
269.08267	6.0
276.11536	1.9
279.13818	3.1
281.08029	4.3
293.15543	7.6
295.17108	43.5
295.20593	5.6
296.17325	3.9
303.10434	6.5
304.11200	5.6
305.11758	3.2
305.19312	2.0
323.12796	2.1
331.20584	3.3
333.17093	11.5
339.16034	74.3
340.16492	7.3
345.18658	3.6
347.20334	8.9
349.22308	2.4
363.20047	2.7
363.92035	1.9
365.21045	3.2
373.18088	26.6
374.18478	4.1
375.19666	33.0
376.20172	3.1
391.19159	31.0
392.19434	5.5
393.20700	7.3
408.19476	5.0
507.34839	2.6
523.34308	12.5
593.34888	63.0
594.35022	7.2
611.37347	11.3
629.38611	100.0
630.38885	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	629.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.6
59.44378	2.4
61.98814	2.4
63.36864	1.9
71.55098	2.7
83.43387	2.1
107.05045	5.0
107.42188	2.2
119.05022	8.0
121.02970	9.4
135.04535	3.6
139.07115	2.3
141.48001	2.4
149.06078	5.7
157.06526	2.8
161.02492	5.3
161.05978	2.3
175.07552	3.2
186.64079	2.7
187.46643	2.5
202.06725	2.6
211.07706	2.6
223.07684	6.0
225.09174	40.6
226.09735	4.2
235.07663	4.4
237.09196	16.9
243.10352	2.8
251.07100	4.9
261.12656	3.5
263.07068	4.1
264.07748	3.0
269.08102	2.8
279.13928	6.7
293.15430	14.8
295.17026	60.7
296.17377	4.2
303.10284	5.9
304.10846	7.5
305.11722	3.0
305.19128	5.7
323.12900	4.6
339.16003	100.0
340.16397	8.3
347.19687	3.4
349.21570	3.8
363.19791	5.3
373.18134	29.2
374.18445	11.5
375.19571	47.6
376.19754	2.7
389.17523	2.8
391.19113	27.6
392.19376	6.9
393.20453	9.1
507.35300	3.1
567.37964	2.8
585.39166	6.1
593.34906	84.6
594.35168	15.3
611.37469	9.5
629.38763	72.3
630.39185	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	629.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30086	1.5
70.09743	2.7
70.10156	5.0
83.34254	1.7
98.20641	2.2
100.74161	1.7
121.02946	5.4
159.04477	2.2
161.02478	4.5
211.07625	2.2
212.08524	1.9
214.49716	1.5
225.09229	35.7
226.09903	3.1
237.09145	8.5
256.07520	2.0
269.08081	3.1
279.13889	5.8
281.08298	3.7
284.06839	2.3
295.17026	47.4
296.17456	4.4
299.16541	2.6
311.20114	2.0
323.12891	5.9
339.16028	100.0
340.16550	9.2
347.20026	7.6
347.29477	1.6
363.19495	2.8
383.22299	1.8
391.19131	18.9
392.19766	5.4
415.19308	1.7
461.19647	3.7
507.34863	5.9
567.38403	2.2
585.39258	3.3
593.34875	27.1
594.35016	4.2
611.37860	3.6
629.38831	36.2
630.38672	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	629.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	1.1
77.01351	0.6
95.35266	0.6
107.05039	1.1
113.19069	0.7
135.04524	1.0
149.06071	1.9
175.07591	0.6
177.12965	0.7
197.52553	0.6
225.09244	24.5
226.09676	1.3
237.09267	6.2
239.10640	0.8
251.07121	0.9
261.12762	0.9
263.07111	1.4
264.07684	0.7
270.77222	0.5
281.08173	0.9
295.17068	36.7
296.17474	3.1
303.10062	1.3
304.10883	1.3
305.19098	1.4
313.97946	0.6
318.12549	0.8
323.12927	0.9
339.16025	100.0
340.16342	10.3
347.20105	1.5
373.18109	4.4
374.18472	2.0
375.19559	9.2
389.17569	5.3
390.18201	1.0
391.19046	8.3
392.19540	1.0
393.20624	1.8
399.32208	0.7
420.66922	0.6
593.34796	2.4
629.38385	13.5
630.38959	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	629.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.96874	1.0
57.03454	2.4
58.00590	1.3
59.01384	100.0
61.47085	1.0
61.98837	1.9
66.68224	1.1
69.03470	1.2
71.01389	45.8
71.55485	1.5
72.01726	1.1
72.99319	2.6
73.02952	52.6
75.00913	1.1
77.29911	1.0
81.69118	1.0
83.01397	15.1
85.02965	8.3
86.80751	1.0
87.00885	2.8
89.02451	17.9
95.01369	2.3
96.96017	16.7
97.02958	2.5
98.95564	1.2
99.00896	3.1
101.02449	50.6
103.03984	1.6
109.02984	1.6
112.95325	0.9
113.02458	13.8
116.92872	1.9
119.03503	6.2
122.03734	1.1
122.19697	1.0
125.02428	3.1
131.03502	4.1
135.08162	1.6
137.02444	1.2
143.03467	3.8
149.02502	1.1
149.04579	16.9
150.03134	1.3
151.03954	1.2
155.03497	1.3
160.01613	3.1
161.02507	1.6
161.04587	15.1
173.06041	1.5
175.03973	4.7
181.04985	1.2
187.13437	1.7
187.14952	17.8
188.15309	1.2
193.05022	1.3
193.13731	1.0
205.05043	1.2
231.13916	12.9
255.02838	1.2
268.03873	1.7
269.04483	1.3
283.06207	1.6
325.93570	1.4
338.40659	1.0
342.15082	1.1
356.25586	1.0
367.21280	3.5
393.19196	1.1
453.21298	36.1
454.21606	4.0
497.20206	2.4
497.27472	3.1
585.25500	35.3
586.25684	3.6
593.26208	1.1
629.21039	2.5
629.24280	1.7
629.31854	5.7
630.31702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03444	0.9
58.00593	0.8
59.01386	43.9
61.98836	1.0
64.44564	0.6
69.03439	1.0
71.01391	17.2
71.54644	1.0
72.99308	1.0
73.02559	1.1
73.02958	18.5
75.00876	0.9
79.95717	0.8
80.96490	0.9
83.01393	4.7
85.02953	4.0
85.66292	0.7
87.00859	1.3
89.02454	4.8
94.98106	0.9
95.01385	1.1
96.96023	10.1
97.02948	1.0
99.00903	1.5
101.02458	13.8
108.02194	1.0
109.02954	1.1
113.02457	4.2
119.03494	1.7
119.05045	0.9
119.79462	0.6
121.02926	1.0
123.00897	1.6
125.02387	0.9
130.87325	0.6
131.03523	1.4
133.02983	3.6
136.01675	1.0
137.02464	0.9
138.03217	1.3
145.02890	0.9
149.02437	2.3
149.04471	1.2
152.22946	0.7
157.06552	2.5
159.04553	1.7
160.01657	1.0
161.02388	1.8
161.04575	1.6
163.03944	0.8
163.07716	0.7
165.01892	1.0
165.05406	0.7
173.06088	3.4
174.03238	0.7
175.03973	1.9
176.01152	0.7
177.01945	19.1
178.02443	0.8
187.04024	2.7
188.04852	1.1
191.03551	1.2
191.07089	0.9
192.04301	24.2
193.04742	1.5
193.69432	0.7
201.05556	3.7
207.06636	21.4
208.06931	0.8
215.03526	0.9
216.04303	4.3
217.05086	4.3
219.91817	0.6
285.04184	1.3
299.05579	0.8
317.33990	0.7
335.11420	0.7
379.08279	1.4
393.09442	0.9
394.10712	1.2
407.11179	0.9
409.13214	4.5
421.11450	2.3
425.12476	6.9
453.21442	0.7
467.13797	1.3
497.20468	0.9
569.16302	1.2
587.17566	2.0
587.27075	0.7
597.22974	0.7
629.18695	100.0
630.19037	12.5
630.28864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01386	44.5
61.98830	4.5
69.03467	1.0
70.65190	1.5
70.65495	1.1
71.01011	1.4
71.01389	21.6
72.99274	1.2
73.02951	18.1
75.00872	0.8
81.98081	0.7
82.95414	3.7
83.01395	5.5
85.02953	3.5
87.00891	1.7
89.02463	5.0
95.01367	0.9
96.96022	4.5
99.00855	0.9
101.02445	14.4
107.05032	4.3
113.02459	6.4
119.03532	1.9
123.00890	0.9
123.04520	0.9
125.02438	2.5
131.03485	0.8
135.00853	1.1
137.02466	1.9
138.03171	0.8
143.03612	0.9
147.00938	2.0
148.01640	0.9
149.02536	0.9
149.04532	1.1
151.00346	1.1
157.06601	5.7
159.04541	1.4
161.02458	1.8
161.04543	2.3
163.00307	1.0
163.03923	1.1
165.01949	3.7
173.06062	1.4
175.03915	0.8
175.07631	7.6
176.01155	1.1
177.01917	1.3
180.04289	2.5
187.04034	0.9
189.02048	0.9
189.09166	0.8
191.03415	1.1
193.01456	2.4
195.06677	1.1
201.05577	8.9
201.11340	1.3
208.03780	2.5
209.06056	0.8
209.11836	2.6
210.48528	0.8
215.03523	1.4
219.04570	1.6
219.06635	24.0
220.07011	1.4
223.06108	4.4
225.07684	1.3
230.28435	0.8
233.08290	1.1
236.40135	0.8
251.07205	0.8
255.02974	1.0
261.07703	3.2
265.08817	1.5
269.04510	0.9
277.08719	4.1
279.06723	0.8
281.08209	1.6
284.03250	1.3
285.04037	1.5
290.05826	1.0
293.08310	2.7
297.04053	1.2
299.05460	1.8
303.06577	0.9
305.05020	1.1
305.07986	4.5
307.05997	1.2
309.04080	1.1
314.04373	0.8
321.04178	0.9
321.07669	18.7
322.08029	1.5
333.07761	1.9
335.05316	1.0
335.09158	1.4
337.07220	6.1
348.06268	1.1
349.07169	57.4
350.07520	4.7
351.08624	1.2
352.09680	1.7
352.46594	0.7
363.08591	5.7
364.09506	16.4
365.09943	1.8
367.11923	5.5
376.05676	1.0
377.06619	4.4
379.11877	55.7
380.12265	6.3
391.07996	0.9
392.09085	2.9
407.11380	100.0
408.11688	9.8
427.12558	1.5
475.10117	0.9
569.16400	1.0
569.37469	1.2
614.13983	1.1
629.17676	5.8
629.39624	2.3
630.18567	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.7
63.56284	0.1
65.48540	0.1
69.38026	1.2
71.01386	0.6
73.02966	0.2
78.95901	0.2
79.95742	3.0
83.01357	0.2
85.02940	0.3
85.13921	0.1
87.00886	0.2
89.02470	0.3
93.69335	0.1
96.96018	100.0
97.95953	0.3
98.20604	0.4
101.02436	0.3
113.02468	0.3
114.93408	0.6
119.03516	0.2
125.02437	0.2
253.05133	0.1
268.03763	0.7
283.06113	1.3
366.00562	0.2
381.03021	1.0
502.79816	0.2
514.50946	0.2
629.12659	0.4
629.37280	0.3
658.27844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.66926	0.9
59.01386	46.6
61.98821	2.8
69.57998	3.7
69.58422	2.2
71.01387	18.2
73.02953	19.8
75.00879	1.8
75.42961	0.8
79.05537	1.7
80.43832	0.8
83.01398	5.5
85.02958	3.2
87.00854	0.9
89.02455	3.8
96.96024	21.4
98.19914	1.9
101.02454	13.6
107.05034	7.2
109.02949	1.5
113.02473	7.5
116.92881	1.1
119.03513	1.3
121.02966	1.4
122.06176	1.0
123.00907	1.5
123.23637	1.0
125.02428	1.2
129.07106	1.2
131.03488	1.2
137.02383	1.4
143.03482	1.3
148.01678	0.9
149.04555	0.9
151.00296	1.0
151.07642	1.0
157.06593	17.1
159.04543	3.9
160.05318	1.1
161.02428	1.9
161.04602	2.9
163.00354	0.9
175.04109	0.9
175.07646	12.9
176.01155	1.4
177.01941	1.8
189.01811	0.9
190.99937	1.8
191.03645	1.0
193.01411	1.5
201.05595	20.1
202.05984	1.4
203.07147	1.9
206.02197	2.2
217.08661	1.1
219.06639	45.4
220.06969	3.1
221.04581	2.7
223.06012	1.4
227.07140	1.4
233.08179	2.4
261.07620	4.4
277.08716	1.0
285.04041	1.1
285.12399	1.6
293.08142	1.8
305.08102	2.0
308.06604	1.0
321.07751	5.4
333.07639	1.2
337.07266	3.5
348.10126	0.9
349.07217	15.9
350.07501	1.2
351.08713	2.1
352.09421	2.0
359.05936	1.0
363.08530	1.9
364.09512	8.0
365.09680	1.2
367.11859	1.7
375.08734	1.0
377.06577	3.2
379.11996	11.9
391.08588	1.3
392.08939	1.6
407.11362	16.2
408.11612	1.1
414.56570	1.0
425.13116	0.9
542.61670	0.9
569.16229	1.3
597.24329	1.1
629.18738	100.0
630.19202	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	627.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33396	1.1
61.98839	1.6
68.52753	0.9
68.94592	0.9
69.58090	5.8
71.14800	1.0
79.05512	1.4
98.19949	1.9
107.05035	1.9
108.02179	1.0
111.89203	1.0
119.05043	9.5
121.02940	2.4
125.76031	1.0
131.05127	1.6
163.00394	1.7
169.06567	4.0
179.03493	1.3
182.07382	1.5
187.03949	1.2
193.06525	2.0
203.07039	1.2
209.06020	3.2
210.06934	5.4
211.07632	3.1
221.06053	2.3
223.07652	11.0
224.08427	1.2
225.09241	3.3
235.07535	4.7
237.05605	1.3
237.09337	1.9
238.06395	1.5
239.07095	2.4
245.09818	1.3
246.10387	2.3
247.07559	2.7
247.11317	1.7
249.05586	3.3
250.06194	1.0
251.07109	4.1
252.07553	1.1
254.05821	3.1
255.23268	2.0
259.11520	1.4
261.09216	4.6
263.07141	6.9
264.07971	6.5
264.11279	1.0
265.08365	1.2
267.06677	3.2
273.09299	1.8
275.07172	12.5
275.10132	1.3
276.07755	1.8
279.06757	2.1
283.06207	2.7
287.10809	1.9
289.08737	13.8
290.09451	3.1
295.16986	1.5
303.10281	9.4
304.11047	10.7
305.11697	2.0
312.11819	1.3
313.12238	2.9
315.10242	1.1
317.11630	1.4
318.12531	1.2
322.08438	3.2
327.17642	1.6
329.11761	3.5
331.13354	3.4
339.15894	2.8
343.17325	1.3
345.18637	31.8
346.18903	2.8
371.16547	7.2
373.18130	43.8
374.18610	3.4
375.19553	1.8
389.17630	100.0
390.18024	11.7
391.19162	5.6
406.17496	1.2
423.17770	1.7
487.24774	4.5
505.33105	1.4
521.32959	1.4
569.29846	1.2
609.35522	2.8
627.36920	37.5
628.37463	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	627.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.1
62.57203	0.8
71.41793	1.1
75.08348	0.7
78.00281	0.6
83.05038	1.0
117.03511	1.0
119.05053	4.6
142.69856	0.7
157.17273	0.7
161.02486	1.0
163.00430	1.0
169.06621	1.6
187.03925	0.7
191.03430	0.9
207.08051	0.7
209.06088	0.7
210.06848	1.2
213.17650	0.8
217.06638	0.9
223.07640	3.5
225.09195	1.4
233.06068	1.3
234.06900	1.1
235.07649	3.5
237.09277	1.2
238.06299	0.8
239.07249	0.7
245.06049	1.7
245.09900	1.0
246.10504	0.9
247.07449	0.9
247.11299	1.2
249.05524	2.0
250.06418	1.7
251.07161	4.7
252.07701	0.8
261.05655	1.1
261.09262	1.4
261.12820	0.9
262.06409	1.3
263.07144	30.5
264.07883	6.1
275.07156	2.6
275.14532	0.9
277.12332	1.4
279.06635	1.5
283.06091	1.7
285.09427	1.1
289.08627	3.7
290.09525	1.0
295.16998	1.2
299.10657	1.0
300.11700	1.8
301.12372	3.7
303.10272	7.3
304.11075	3.7
305.11630	1.5
310.42789	0.7
317.11874	3.5
318.12604	9.4
319.13333	6.3
322.08389	0.9
339.16144	2.1
345.18643	5.8
361.18182	3.2
371.16589	2.0
373.18085	14.5
374.18295	1.0
389.17612	100.0
390.18033	11.2
391.19315	3.8
406.17538	0.9
407.18414	1.1
423.18216	1.0
487.24918	1.2
599.20276	0.7
609.35986	1.2
627.36920	17.7
628.37170	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	627.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50024	3.6
59.61417	3.0
65.45925	2.7
73.06805	3.0
77.32499	3.1
98.20848	3.0
119.05029	13.9
121.02972	6.8
142.58563	3.0
170.60474	3.2
223.07669	7.3
225.09186	31.3
237.09235	11.0
263.07111	7.5
267.64902	3.9
277.12280	3.8
279.13782	3.1
295.17035	43.3
296.17130	4.2
303.10428	5.9
304.10956	7.5
339.16055	100.0
340.16434	11.0
345.18524	8.3
354.05768	3.1
354.76669	3.7
373.18039	44.7
389.17615	19.9
390.18326	4.6
391.19235	23.3
487.24893	6.5
591.33514	5.9
609.35693	5.7
627.36920	69.9
628.37091	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	627.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.6
60.23867	0.8
69.98117	4.4
71.01388	16.2
73.02929	1.1
74.96227	1.0
83.01401	2.2
85.01052	3.2
85.02966	4.6
85.06579	1.2
87.00871	5.9
89.02453	15.7
95.01385	2.1
96.96007	3.8
98.20545	1.7
99.00935	0.9
99.04554	0.9
101.02454	15.6
113.02467	9.6
119.03518	8.2
125.02480	2.3
128.26208	0.9
129.03648	1.3
145.03075	2.1
147.06625	1.2
165.01973	2.6
174.71860	1.0
179.03467	1.0
179.05667	1.4
180.04320	1.6
195.06659	3.0
270.76895	0.9
309.11911	8.7
335.11600	4.0
405.12170	3.4
419.13892	1.5
429.13803	1.3
449.61041	1.3
465.10654	1.9
465.17856	0.9
491.15479	1.0
533.74854	1.0
553.49152	1.0
627.23273	100.0
628.23584	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	627.26
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11604	1.3
71.55369	1.8
93.03474	1.6
107.05025	2.2
108.02168	3.6
109.06629	1.3
117.03457	1.4
119.05034	8.3
121.02977	3.9
123.00873	2.0
123.04545	2.7
125.26075	1.4
135.00841	1.9
147.04559	2.1
148.01720	1.8
159.04529	76.5
160.04799	2.5
161.02438	1.6
162.03351	1.5
163.00404	6.5
166.55890	1.6
167.03580	3.6
173.06126	1.8
176.01172	2.0
181.05147	3.7
184.00819	1.4
187.04126	1.7
201.09216	1.8
203.07140	2.0
205.06627	1.4
206.02193	5.5
213.09222	3.8
221.04556	4.2
223.07661	3.4
224.08305	2.0
225.09186	6.9
235.07649	3.8
237.09175	3.4
239.10799	2.3
249.09261	2.5
250.09988	1.6
251.10716	4.6
263.07098	3.5
272.46268	1.5
277.12427	1.8
282.09204	3.4
289.08627	3.0
289.12161	1.8
295.16956	5.4
303.10483	2.6
303.13657	1.6
318.12460	1.4
319.13400	2.0
339.16077	9.8
345.18484	2.5
347.20120	4.0
361.18082	3.5
361.21805	9.1
373.17911	8.7
373.21881	50.6
374.22144	3.2
389.17377	8.7
391.19009	3.7
400.60980	1.5
405.20468	2.2
417.20795	18.4
523.24854	6.5
583.26843	2.0
583.37524	4.0
595.23401	6.7
627.26031	100.0
627.36896	53.3
628.26508	16.4
628.37177	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	627.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87106	0.6
57.03449	1.1
58.00576	0.8
59.01385	20.3
61.17832	0.5
69.66979	1.6
69.67390	1.8
71.01009	1.0
71.01385	14.1
72.99313	1.0
73.02947	1.0
83.01395	1.3
85.01027	2.4
85.02966	4.7
85.06599	1.6
87.00884	4.9
88.98809	0.6
89.02451	16.1
90.02784	0.6
95.01394	1.1
96.96027	3.7
101.02446	13.0
111.00912	0.6
113.02453	7.0
114.10508	0.5
119.03527	8.2
119.05031	1.7
123.04436	1.0
125.02463	1.8
127.02100	1.1
129.03633	1.7
129.05627	1.0
131.03493	0.6
145.03064	0.8
147.06694	1.6
149.02448	0.9
149.04639	0.7
150.03218	0.7
151.00452	0.9
153.01930	1.1
155.05156	0.8
157.13576	0.5
161.04520	0.7
163.03995	2.0
165.01933	2.4
173.06256	1.6
174.01671	0.6
179.03419	0.7
179.05650	1.1
180.04234	1.0
181.05046	0.6
187.04221	1.5
187.51132	0.6
195.06616	1.7
225.05725	0.8
225.07716	0.8
285.04028	0.9
295.10449	0.8
303.05173	0.8
309.00296	0.7
309.11975	8.1
310.12347	0.7
335.11664	5.2
341.12073	0.6
349.12967	0.7
377.12613	0.9
405.11993	3.3
419.13785	1.2
429.14145	1.4
447.17181	0.6
465.10367	1.8
491.15616	1.0
497.16949	0.7
507.19360	0.9
627.23291	100.0
628.14160	0.9
628.23639	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	627.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38164	0.7
61.98864	1.7
65.03034	0.6
66.29460	0.6
80.02689	3.9
81.89378	0.6
96.96052	0.8
100.18262	0.7
108.02188	59.6
109.02525	1.6
119.05093	2.3
119.06007	0.7
121.02966	0.9
123.04546	30.0
152.01126	3.8
159.04610	1.1
161.02534	0.9
165.07195	2.7
167.03510	74.1
168.03893	2.0
175.04086	1.2
177.12943	0.7
182.07457	1.1
189.07141	1.2
193.06645	1.4
199.07704	0.7
201.05745	1.3
203.07057	0.9
203.08734	2.1
211.07735	2.2
215.08751	1.6
217.06569	1.1
219.08202	1.7
221.06087	0.9
225.09322	1.4
231.08249	1.2
232.05324	1.4
233.06094	3.2
234.06937	1.5
235.07780	1.3
241.05042	0.8
241.12376	1.1
245.06044	4.7
246.06789	1.7
247.07658	16.2
248.08357	6.7
249.09251	1.3
255.12035	1.0
258.07025	1.0
259.07645	9.2
260.08362	3.0
261.09390	1.2
261.14932	1.0
274.06418	1.0
283.11374	2.3
284.12057	0.8
285.09387	1.0
287.07452	1.4
287.10638	1.8
288.11517	1.1
291.06824	1.4
299.10858	2.3
301.12384	4.5
302.12952	1.2
303.16116	1.3
311.20117	1.1
315.16077	2.0
327.10431	1.6
328.10947	3.5
329.17438	0.9
339.16205	1.5
343.20624	0.9
353.19250	1.1
369.18579	3.2
370.19449	3.8
371.20166	21.9
372.20547	2.5
373.16492	1.2
397.18069	12.7
398.18362	1.4
415.19208	30.3
416.19528	3.7
425.08777	0.8
431.18604	1.0
441.17148	19.0
442.17563	1.8
459.18170	100.0
460.18546	13.0
481.15366	2.9
495.16873	5.3
496.17059	1.2
551.19574	10.5
552.19562	2.9
553.16919	0.8
595.18317	2.4
627.20996	29.3
627.36908	10.9
628.21240	7.8
628.37408	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	627.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	3.2
68.99554	1.7
69.18777	10.1
79.05489	1.4
79.30987	0.9
85.33078	0.9
91.46664	0.9
96.96027	1.2
98.19933	2.0
107.05022	1.4
107.55647	1.0
108.02187	9.5
112.57584	1.0
112.98568	1.5
119.04997	3.1
121.02950	3.3
123.04543	6.6
135.00967	1.0
135.04544	2.0
137.69676	1.0
143.05023	1.4
145.02968	2.0
146.03729	0.9
147.04552	1.2
149.06053	2.4
150.23596	1.0
151.03979	3.1
158.03716	7.7
159.04538	7.0
161.02525	1.3
163.00317	1.9
167.03574	5.6
167.08694	2.0
169.06572	3.0
170.03714	2.3
171.04515	5.3
172.05281	1.5
175.03885	1.6
181.06642	1.5
188.73746	1.1
195.02916	3.2
197.06093	1.4
199.07605	1.4
205.06635	1.2
207.08052	1.1
208.05267	1.3
209.06030	2.0
211.07686	6.5
212.08485	5.2
213.09193	4.4
217.08604	1.3
219.08093	1.4
225.05568	3.8
225.09201	28.6
226.09778	2.2
233.05968	1.4
234.06749	2.2
235.07681	8.6
237.09267	7.1
239.07130	5.0
240.07915	11.0
241.12383	2.0
247.07545	2.4
248.08282	1.2
249.05487	1.7
250.06361	7.0
259.11267	1.0
261.05496	1.6
262.06213	2.6
263.07178	20.3
264.07715	2.9
271.11172	1.5
275.07248	8.8
276.04700	1.5
276.07846	6.8
281.15497	8.8
282.16174	6.0
289.05130	16.2
290.05444	2.2
295.17053	40.8
296.17300	1.9
301.05057	12.4
301.08524	1.9
301.12238	1.4
303.10077	2.1
305.04630	2.3
309.11557	2.0
309.14966	25.4
310.15433	1.4
315.06509	3.6
315.15878	1.2
316.10693	1.3
317.11887	2.5
318.12616	2.8
325.14459	4.8
327.16006	7.3
329.08160	4.0
339.16022	91.8
340.16483	5.4
343.15390	3.8
343.20575	1.9
344.10522	4.9
355.15552	2.0
359.09103	2.5
369.18497	3.7
371.20044	3.1
385.18060	1.6
387.19678	100.0
388.20016	9.8
413.17593	42.7
413.23151	2.0
414.18021	5.4
416.16461	1.4
419.12784	2.7
431.18619	44.7
432.18988	5.2
443.18430	2.0
459.18094	2.6
469.16348	2.2
487.17749	25.3
488.18112	3.2
547.21301	9.1
548.21539	1.7
565.22369	12.5
566.22668	2.1
591.20343	4.8
609.21332	38.5
610.21637	7.4
627.22131	7.1
627.37128	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	627.2098
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
54.80404	0.4
57.43694	0.4
59.01393	0.7
61.98820	1.2
67.54681	0.4
69.97216	2.0
73.02944	1.3
83.19949	0.4
96.96004	0.6
107.04945	0.6
108.02190	1.0
123.04533	0.7
135.04500	1.7
151.03954	0.5
167.03482	2.7
175.07603	0.5
190.87764	0.5
219.06651	0.5
225.09161	2.1
226.09964	1.9
227.10497	0.5
237.09099	0.5
241.12325	3.5
242.12660	0.8
249.09172	1.6
254.73528	0.4
295.16971	2.6
339.12247	0.5
339.16025	5.9
355.15515	5.2
356.15775	0.6
357.15970	0.6
373.16721	0.8
437.12692	0.6
438.13232	1.4
450.13327	0.5
451.14114	1.4
452.14798	3.6
453.15421	0.5
465.16092	0.7
466.16333	0.6
469.11560	0.9
470.11673	0.5
480.14279	0.4
481.15036	7.6
482.15570	1.6
493.15411	1.3
494.15784	0.6
495.16754	14.8
496.17032	3.2
507.17285	1.3
508.17728	2.3
509.18008	1.3
512.13507	1.2
521.14465	1.1
522.15308	0.6
523.15875	0.6
524.16797	0.6
526.14941	1.0
528.16919	0.5
533.17926	1.0
535.16351	2.5
536.16998	2.4
539.15808	0.8
540.16718	3.4
541.17297	0.6
551.19434	42.8
552.19751	7.3
553.17523	0.5
554.18066	1.8
555.18646	1.4
556.19604	0.4
567.18469	0.5
568.15826	0.7
572.15601	3.0
583.22540	0.6
586.17175	1.7
595.18237	8.4
596.18475	1.9
627.20984	100.0
627.35272	2.9
628.21259	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	627.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31564	1.7
55.01862	1.8
57.03459	2.1
59.01384	18.4
60.99331	2.4
67.01881	2.5
69.03433	1.9
71.01392	16.0
72.99321	2.8
73.02965	8.8
75.00874	3.0
83.01360	2.6
85.02942	8.0
87.00405	2.9
87.00889	33.6
88.98794	14.6
89.02437	6.0
91.01892	3.4
95.01416	2.9
96.96016	5.3
97.02954	2.6
99.00903	5.2
99.04536	1.7
100.01686	4.1
101.02441	5.2
102.39986	1.5
107.01409	3.5
108.02184	25.7
108.79239	1.6
109.02977	13.6
111.00883	15.7
112.98812	5.8
113.02470	6.5
115.00352	1.7
121.02982	6.3
123.00915	9.5
123.04516	2.9
124.01675	2.6
125.02425	3.4
129.01974	3.5
130.02751	1.9
131.03496	3.3
135.00920	12.9
135.04562	3.7
137.02481	17.0
138.03217	2.3
139.04039	2.8
142.99849	5.9
147.03058	1.9
149.02444	4.8
150.03180	2.9
151.00386	3.7
151.04012	4.7
152.01161	32.6
153.01953	16.9
153.05598	5.4
161.02480	7.1
163.04071	8.3
164.04854	4.0
165.01939	100.0
165.05571	5.4
166.02628	10.6
167.03525	3.0
168.00635	1.9
173.00888	9.3
174.01697	4.6
175.04005	4.2
176.04807	5.4
177.01955	2.5
178.06334	1.6
179.03511	28.9
179.07080	10.9
180.04295	68.2
181.05119	13.6
183.03000	13.0
186.99838	1.7
189.05525	2.1
190.02756	3.6
191.03502	6.5
191.07152	2.7
193.05136	2.9
193.08780	2.5
194.05867	15.3
195.02985	5.1
195.06647	88.9
196.06993	4.3
197.04532	5.9
203.03639	2.6
205.05101	5.1
206.05872	5.6
207.06662	2.5
209.08174	8.5
210.05392	19.7
211.05960	2.7
218.02179	1.6
219.02992	4.0
221.04648	2.2
221.08209	5.0
225.07704	49.6
226.08012	3.1
233.04628	1.7
234.01836	2.4
234.05307	3.2
246.01779	2.4
247.02490	4.4
247.06065	2.2
249.04129	2.6
249.07753	2.8
259.06229	1.8
261.04056	4.1
262.04794	8.1
264.06409	3.4
265.07150	4.3
276.06369	4.9
277.07141	15.2
291.08905	2.0
297.06201	11.0
325.09082	1.8
337.09332	45.9
338.09561	2.8
344.49060	1.7
399.14279	8.2
400.10211	2.8
405.11899	10.7
429.10477	6.4
443.13504	6.4
447.11700	2.7
465.14117	2.2
473.14691	3.7
491.15518	21.8
492.16006	3.5
503.15616	4.6
521.16656	3.7
551.17938	3.3
563.17828	9.1
567.26489	2.6
609.18158	18.6
610.18762	2.0
627.19141	88.9
628.19568	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	627.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61869	0.3
57.03443	0.3
58.00596	6.0
59.01385	4.0
69.22754	0.7
69.23164	2.8
71.01384	1.5
72.99298	0.4
73.02992	0.6
75.00856	0.5
79.63303	0.3
85.02983	0.4
87.00905	1.8
88.98797	0.7
89.02459	0.7
93.03466	11.7
96.96028	2.3
101.02447	0.6
103.00390	2.0
106.04280	0.6
107.05045	10.8
108.02174	0.4
112.98832	2.4
113.02480	0.4
119.05029	4.5
119.05704	0.4
121.02980	2.6
122.03740	0.9
123.04498	0.8
125.02447	0.4
131.05052	1.4
133.02974	1.0
134.03757	5.5
135.04541	2.3
137.02458	1.1
137.06093	1.1
140.16704	0.4
147.04556	4.1
149.02472	2.5
149.06104	8.3
150.03252	5.2
163.04034	2.3
164.04788	0.5
165.05582	100.0
166.05928	3.8
175.04077	1.8
178.02725	2.4
182.96849	0.4
193.05063	23.4
194.05489	0.9
195.06633	3.5
209.04523	2.9
219.03029	1.3
237.04031	5.2
240.28658	0.3
243.61200	0.4
255.05147	1.3
282.08936	0.8
341.10291	4.5
355.08310	1.0
389.12558	2.3
627.32245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
59.01384	13.7
61.98821	2.5
67.01886	1.6
69.03468	3.5
71.01390	16.1
71.54077	2.7
72.99308	3.9
73.02953	3.0
81.03454	3.6
83.01384	4.7
85.02950	5.5
87.00893	30.5
89.02441	4.5
95.01443	2.5
96.96039	9.1
97.02946	3.8
99.00867	5.1
99.04578	1.9
101.02449	10.9
109.02958	5.9
111.00896	33.4
113.02420	5.2
115.00388	2.6
119.03483	3.8
121.02961	3.8
123.04490	2.7
124.01693	2.0
125.02409	6.0
129.01932	3.8
131.03468	4.2
135.00981	2.9
135.02975	2.5
137.02483	17.3
138.03232	2.2
139.03998	2.4
145.02922	4.5
147.03004	3.6
149.02396	5.1
150.03214	4.3
151.00342	3.0
151.03993	4.1
152.01100	2.3
153.01906	4.4
153.05566	3.8
161.02405	5.0
163.04007	4.3
164.01193	3.7
164.04787	10.4
164.64641	1.7
165.01949	93.2
165.05531	8.2
166.02623	8.4
167.03503	8.0
171.06599	4.6
173.00916	2.1
176.04829	1.8
177.01915	4.5
178.99869	1.8
179.03560	27.5
179.07127	17.7
180.04298	66.7
181.05042	13.5
191.03555	3.9
191.07184	2.2
193.36708	1.8
194.05869	11.2
195.03084	3.3
195.06644	78.1
196.03854	1.6
196.06918	2.9
197.04422	2.1
205.05103	3.0
209.08182	8.1
209.54996	1.6
210.05342	14.9
210.89359	1.7
211.06044	5.1
219.02974	3.3
219.06743	2.9
225.07710	35.3
231.29230	1.7
233.04451	2.0
234.05293	2.6
247.05966	2.0
248.86993	1.6
249.07628	7.3
261.07654	2.8
264.06424	13.5
265.07037	8.2
268.36111	2.2
279.08765	3.5
321.09991	2.4
323.13474	2.3
337.09195	11.1
364.15082	2.1
387.14499	2.5
415.13660	2.0
429.13867	5.8
443.13513	5.1
465.09726	3.6
491.15683	71.6
492.16010	7.8
517.16809	2.9
535.18329	3.5
551.17584	4.5
567.26447	2.9
609.18256	15.4
610.17566	2.1
627.19263	100.0
628.19812	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	625.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15318	2.2
53.75163	2.3
55.01882	2.9
57.03456	10.4
58.34921	2.5
59.01113	3.2
59.01384	47.3
62.02495	2.2
69.22945	12.1
69.23360	9.9
71.01385	23.2
72.99310	3.7
73.02946	9.8
75.00880	7.9
83.01393	3.3
83.04064	2.0
85.02958	14.9
87.00866	4.5
87.04524	5.1
89.02435	6.6
96.95992	3.4
97.06633	3.0
99.00862	6.1
99.01476	2.8
101.02453	16.7
108.04561	2.5
113.02465	15.3
120.46827	2.3
125.02467	4.1
131.03520	1.9
134.86252	2.3
150.03189	2.1
161.04544	2.8
165.04012	2.5
173.11836	3.4
175.03983	3.6
203.12827	5.0
217.14395	7.6
359.28293	2.4
375.27686	10.6
377.28903	5.8
429.16425	2.7
429.25812	2.5
446.65353	2.3
519.69806	2.6
520.32098	2.9
521.33240	100.0
522.33398	8.5
539.34430	20.3
581.34851	7.2
625.16620	2.9
625.35010	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	627.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20850	4.8
56.45396	4.9
59.01385	46.9
61.95671	5.1
61.98829	18.3
65.25320	4.6
71.01377	17.5
73.02970	12.8
78.95937	10.4
89.02476	9.5
91.96933	5.8
96.96021	24.6
101.02470	11.3
107.05053	12.7
113.02465	13.0
123.00883	11.5
125.02442	12.3
126.63857	4.8
148.01683	35.8
151.00380	4.8
152.99605	16.9
153.01907	5.5
161.02435	15.6
162.03233	37.3
163.04028	50.5
167.61861	4.8
175.07671	77.6
177.05589	7.2
187.07626	5.4
197.11809	6.0
209.11816	11.0
215.07146	33.8
225.33830	4.7
229.59932	5.6
241.01123	5.7
255.06737	5.3
268.03821	14.7
283.06104	10.9
297.03860	5.8
299.02130	8.1
311.01624	7.3
311.22464	7.1
314.04385	12.2
320.23111	9.7
328.02313	6.7
329.06769	21.3
343.04654	9.2
364.09494	11.1
379.11917	100.0
380.12296	11.0
551.22888	7.1
583.18402	15.9
595.22223	9.4
627.11041	29.0
627.27435	35.6
627.37396	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	625.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.9
56.73811	1.2
57.03453	11.8
59.01385	66.9
64.70777	1.4
69.03453	1.6
69.28023	12.1
70.87179	1.4
71.01394	23.4
71.05005	1.9
72.01757	1.4
72.99285	1.5
73.02938	6.1
73.36254	1.2
75.00886	8.5
83.01376	3.9
85.02972	13.2
85.06590	1.7
87.00906	7.7
89.02468	10.4
95.01388	5.2
96.96027	1.6
97.02948	1.7
98.19969	3.2
99.00869	1.7
99.04534	1.5
101.02461	16.0
108.02177	24.5
109.02421	4.7
109.02995	4.5
110.02579	1.8
111.00947	1.9
113.01842	1.4
113.02470	15.0
119.03474	1.5
121.02979	6.4
122.03751	1.6
123.04525	3.0
125.02438	3.4
134.03773	12.4
135.04419	4.8
137.02396	1.8
143.10799	2.8
147.52150	1.4
149.02382	2.0
152.00008	2.8
152.01181	42.5
153.01500	14.6
154.01648	4.6
155.10751	1.7
161.02386	2.3
161.04541	3.3
162.69148	1.5
163.03999	2.5
167.03404	1.9
173.11766	4.0
175.04024	2.0
176.04718	3.0
177.01941	2.0
179.03458	4.2
180.03752	1.9
193.05061	3.7
207.06683	3.6
209.11855	16.1
213.15080	1.3
227.12878	3.1
237.25998	1.3
271.02039	1.4
271.22818	1.4
359.28040	2.7
377.29120	16.0
378.29276	2.4
397.13675	7.0
415.14566	3.4
430.10678	2.2
431.10727	5.6
447.11105	3.2
448.11856	7.8
449.11911	15.2
454.78461	1.4
507.27869	1.8
521.33319	100.0
522.33746	11.0
539.34338	26.1
540.34619	2.9
568.64008	1.6
581.35645	12.8
582.35828	2.7
625.16766	68.9
625.25281	2.6
625.33893	3.7
626.17126	5.3
626.34723	2.1
645.61774	1.4
651.74310	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	625.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.9
56.73811	1.2
57.03453	11.8
59.01385	66.9
64.70777	1.4
69.03453	1.6
69.28023	12.1
70.87179	1.4
71.01394	23.4
71.05005	1.9
72.01757	1.4
72.99285	1.5
73.02938	6.1
73.36254	1.2
75.00886	8.5
83.01376	3.9
85.02972	13.2
85.06590	1.7
87.00906	7.7
89.02468	10.4
95.01388	5.2
96.96027	1.6
97.02948	1.7
98.19969	3.2
99.00869	1.7
99.04534	1.5
101.02461	16.0
108.02177	24.5
109.02421	4.7
109.02995	4.5
110.02579	1.8
111.00947	1.9
113.01842	1.4
113.02470	15.0
119.03474	1.5
121.02979	6.4
122.03751	1.6
123.04525	3.0
125.02438	3.4
134.03773	12.4
135.04419	4.8
137.02396	1.8
143.10799	2.8
147.52150	1.4
149.02382	2.0
152.00008	2.8
152.01181	42.5
153.01500	14.6
154.01648	4.6
155.10751	1.7
161.02386	2.3
161.04541	3.3
162.69148	1.5
163.03999	2.5
167.03404	1.9
173.11766	4.0
175.04024	2.0
176.04718	3.0
177.01941	2.0
179.03458	4.2
180.03752	1.9
193.05061	3.7
207.06683	3.6
209.11855	16.1
213.15080	1.3
227.12878	3.1
237.25998	1.3
271.02039	1.4
271.22818	1.4
359.28040	2.7
377.29120	16.0
378.29276	2.4
397.13675	7.0
415.14566	3.4
430.10678	2.2
431.10727	5.6
447.11105	3.2
448.11856	7.8
449.11911	15.2
454.78461	1.4
507.27869	1.8
521.33319	100.0
522.33746	11.0
539.34338	26.1
540.34619	2.9
568.64008	1.6
581.35645	12.8
582.35828	2.7
625.16766	68.9
625.25281	2.6
625.33893	3.7
626.17126	5.3
626.34723	2.1
645.61774	1.4
651.74310	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	625.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
59.01385	34.9
69.03459	1.2
69.71973	3.3
70.88232	0.9
71.01386	19.8
72.16736	0.8
72.99300	1.9
73.02959	3.6
74.69389	0.8
75.00869	2.2
80.02670	1.6
81.03465	1.8
83.01376	2.1
83.05032	6.4
83.20809	0.8
84.02174	1.4
85.02961	5.7
85.41219	0.7
86.43869	0.8
87.00885	3.9
89.02446	14.5
93.03439	0.7
95.01392	1.8
95.05020	0.9
96.96027	1.6
97.02969	1.9
101.02451	15.0
108.02151	1.3
109.02972	1.5
111.00708	0.6
113.02467	7.5
114.12614	0.7
119.03498	4.7
120.41181	0.7
121.02954	1.6
123.04546	0.8
125.02463	5.7
125.06092	0.8
133.02957	1.1
134.03748	1.0
135.04555	3.8
143.03540	2.6
149.04631	1.0
152.01146	1.9
153.01759	0.7
161.04559	3.5
161.05734	0.7
163.04144	1.0
163.11336	4.5
163.45509	0.8
165.12845	2.7
167.03432	1.2
177.01920	1.8
179.03534	4.4
179.05618	2.9
179.07074	0.9
191.10754	1.4
192.04285	1.5
193.05002	1.1
201.27690	0.8
207.06621	2.6
209.11850	100.0
210.12148	5.4
227.12910	18.9
235.08180	4.3
244.66489	0.7
253.09340	1.5
287.07813	1.1
305.08762	1.5
377.29379	1.6
390.16437	0.8
397.13528	31.2
398.13971	2.2
399.07678	0.8
415.14630	20.3
521.33264	15.2
522.33820	1.3
523.99854	0.9
539.34442	3.8
581.35449	2.4
625.17059	2.9
625.34540	2.9
626.34613	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	625.273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
58.00591	1.4
59.01385	33.9
62.60543	0.8
62.77833	0.8
67.92646	0.8
69.03484	1.8
69.19739	2.0
69.20144	6.2
70.69962	0.8
71.01392	18.9
72.99303	2.6
73.02943	3.8
75.00877	7.4
80.02666	2.0
81.03460	1.9
81.84602	0.7
83.01387	3.3
83.05031	5.9
84.02165	1.3
85.02959	7.5
87.00879	6.5
89.02452	16.7
93.03458	1.4
95.01400	1.3
96.96024	2.5
97.02960	3.0
98.19942	1.9
99.00916	1.8
99.06325	0.7
101.02448	15.6
105.03471	0.9
108.02181	11.4
109.02405	1.9
109.03004	2.5
113.02455	9.8
119.03518	5.3
121.02972	6.0
123.04516	3.4
125.02438	5.5
134.03796	4.7
135.04346	1.6
137.02399	0.9
143.03482	2.7
147.00836	1.3
149.02472	1.0
152.01166	16.9
153.01508	6.7
154.01607	3.9
161.02388	2.6
161.04544	3.4
163.03983	2.2
163.11302	5.7
165.05585	1.3
165.12822	2.8
175.03909	1.8
176.04810	3.2
179.03496	2.0
179.05644	3.5
181.12236	0.9
191.07162	2.7
191.10791	1.6
193.05101	2.4
194.05545	1.1
195.05774	0.8
207.06694	2.3
209.11835	100.0
210.12230	4.8
217.07216	0.9
227.12889	18.7
235.08179	3.2
253.09065	1.0
254.04251	1.3
305.08856	1.0
318.37161	0.8
377.29199	2.3
383.11203	1.1
397.08322	1.7
397.13522	29.1
398.13599	2.5
415.14532	17.4
430.10669	1.4
431.10989	2.0
447.11459	1.0
448.11755	2.7
449.11975	6.7
461.19916	0.9
507.27899	2.2
520.32556	1.0
521.33203	21.1
522.33643	1.8
539.33936	4.2
581.35260	1.9
625.17102	33.7
625.34802	7.4
626.17560	4.3
650.28040	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
57.03468	6.3
59.01387	100.0
59.01691	5.6
61.98508	3.7
61.98833	69.8
71.01397	38.0
71.54511	4.4
72.99284	4.2
73.02959	15.3
78.95921	27.2
83.01410	10.9
83.05054	3.3
85.02511	3.2
85.02915	15.6
87.00886	7.7
87.04524	16.6
88.98840	3.5
89.02448	24.5
95.01382	4.7
96.96037	18.4
96.96992	4.5
97.02982	3.5
99.00877	5.6
99.04544	5.0
100.21178	3.4
101.02451	36.7
104.46813	3.4
109.02959	4.8
113.02472	24.6
119.03516	11.1
121.03014	4.6
125.02502	5.3
133.02991	4.1
152.99580	22.7
161.04564	11.3
165.65437	3.4
171.10269	6.1
179.05640	6.0
197.11809	11.3
205.04964	3.3
208.80620	3.4
209.11818	8.0
241.01205	10.7
251.03369	3.9
291.19608	5.2
309.20865	6.1
315.04819	3.3
377.21814	5.3
445.29489	12.0
523.73297	3.8
539.19556	4.1
539.27234	42.0
581.28149	16.6
625.26282	47.3
625.36835	11.2
626.26398	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	625.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63532	0.9
58.39759	1.0
59.01360	1.2
61.98849	1.2
71.50600	1.2
71.50945	1.0
73.02970	1.2
76.87708	1.0
77.43881	0.8
90.84554	0.9
123.04504	1.4
134.06133	1.2
135.04536	2.1
139.00394	1.1
152.36615	1.0
154.43399	1.1
167.03525	3.4
213.10362	7.2
226.09993	3.0
235.28284	0.9
241.12260	5.2
244.81380	0.9
267.11398	1.0
292.10620	1.4
299.13953	2.6
327.33792	0.9
328.43143	1.1
355.15604	5.4
373.16550	3.2
398.15237	1.4
418.10898	1.4
431.29166	1.0
432.12482	1.6
433.12921	4.9
434.13544	1.7
447.14639	6.0
448.15393	9.4
449.16125	6.7
450.16992	1.2
463.17758	20.0
464.18054	3.9
465.19476	1.7
477.19241	3.4
478.20050	3.3
479.20978	17.0
480.21127	1.8
490.16507	1.2
491.17264	30.8
492.17404	3.2
505.18701	5.9
506.19644	8.6
507.20181	5.1
519.20575	1.4
520.21136	2.1
523.19977	3.4
527.40594	1.1
528.39874	1.1
538.22266	34.0
539.23047	10.1
593.24304	9.6
625.26599	100.0
626.26947	15.0
626.36395	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	625.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66498	0.3
52.36339	0.3
59.01384	1.2
63.02122	0.3
63.02406	0.8
65.00345	0.6
69.33794	0.8
69.34203	2.1
71.01389	1.1
76.82896	0.3
78.72052	0.3
83.01396	0.7
85.02946	0.6
87.00854	0.4
89.02426	0.8
93.03510	0.3
96.96026	0.6
101.02439	0.7
107.01389	1.7
109.00072	0.3
109.02967	0.9
113.02452	0.6
119.01517	0.3
119.04980	0.4
120.01234	0.3
121.02948	1.2
121.82285	0.4
122.00818	0.4
123.04542	0.3
125.02477	0.4
133.01434	0.6
133.02951	0.8
135.00899	0.5
135.04501	0.4
149.87375	0.3
151.00372	7.7
157.02992	0.4
163.00397	0.9
163.03989	0.4
171.04509	1.0
173.02417	0.3
175.00374	0.9
175.04021	0.8
178.99890	1.7
183.04518	0.6
185.06075	0.5
187.04036	0.5
189.01923	0.5
191.03503	0.4
193.01346	0.4
199.04007	2.8
201.01987	1.0
203.03532	0.7
209.87836	0.3
211.04057	0.4
215.03484	2.0
226.02721	1.1
227.03470	2.9
243.02986	5.0
245.04750	0.4
254.02242	1.0
255.02965	1.8
271.02487	59.3
272.02902	3.6
273.03922	0.5
282.01721	0.5
285.04135	0.4
298.01489	0.4
299.01984	100.0
300.02597	16.6
301.03540	42.3
302.03851	2.1
313.03500	1.2
315.05197	0.4
343.04568	1.4
462.08051	24.3
463.08823	37.3
464.09140	3.6
505.10239	0.9
625.14111	80.6
626.14404	9.6
626.23645	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	624.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46659	0.9
59.01387	1.6
59.03506	0.9
61.01575	1.0
61.98838	100.0
71.54218	1.2
74.43250	1.1
103.45054	1.0
177.23126	1.2
227.15913	1.2
291.74951	1.3
388.61383	1.2
389.17599	4.8
495.25882	1.2
625.35632	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	625.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.1
63.02407	0.5
65.00349	0.8
69.33290	2.9
71.01395	1.2
83.01389	0.5
85.02955	0.5
87.00923	0.7
89.02466	1.0
93.03429	0.3
96.96004	0.8
101.02464	1.1
107.01404	1.7
109.03001	1.1
113.02467	0.7
115.00317	0.4
119.03527	0.6
119.05041	0.6
121.02980	0.8
123.00870	0.3
125.02496	0.5
130.00723	0.3
133.01418	0.8
133.02965	0.7
135.00914	0.5
137.02477	0.5
138.05544	0.4
147.00943	0.5
149.02484	0.8
151.00380	6.9
160.36546	0.3
163.00388	1.0
163.04050	0.9
165.01939	0.4
169.01479	0.3
171.04640	0.5
173.02586	0.4
175.00378	1.2
175.03995	0.9
178.99860	2.3
183.04567	0.7
187.04037	0.4
193.01425	0.6
195.65581	0.3
199.04004	3.0
201.02000	0.8
203.03601	0.7
209.11879	0.6
211.03934	0.4
215.03465	1.6
215.32910	0.4
216.04410	0.3
226.02747	1.1
227.03546	3.1
243.02983	3.9
245.04488	0.4
254.02283	0.8
255.02988	2.0
271.02499	56.9
272.02914	3.3
273.03906	0.3
282.01529	0.5
284.06644	0.3
295.10391	0.4
297.07336	0.3
299.01996	100.0
300.02631	15.6
301.03555	40.2
302.03854	2.2
313.03558	1.2
316.28250	0.3
337.58856	0.4
342.03488	0.4
343.04626	1.3
352.02902	0.3
406.29633	0.3
462.08054	22.8
463.08813	33.0
464.09311	2.4
505.09924	1.2
625.14099	75.3
626.14453	7.6
626.23602	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	624.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73489	0.5
57.03426	0.6
59.01381	7.1
61.98836	100.0
71.01387	3.2
73.02942	0.6
80.28124	0.4
83.01411	0.8
85.02962	0.8
87.00887	0.7
89.02478	1.2
89.45564	0.5
91.13671	0.4
96.96021	0.7
97.02955	0.5
101.02454	1.6
112.85989	0.5
113.02487	1.0
119.03480	0.8
135.04538	0.5
137.02460	1.5
140.31241	0.4
151.00386	0.9
161.02477	0.8
177.02048	0.6
202.50925	0.6
213.05673	1.4
214.06270	0.8
223.04002	0.7
235.13614	0.6
241.05215	0.7
252.04300	1.1
255.03059	1.4
269.04474	1.1
270.05331	1.4
283.02673	0.7
285.03928	0.8
286.04459	0.8
287.22510	1.1
298.04840	24.7
299.05374	1.5
313.07187	24.2
314.07657	2.2
325.06921	0.5
432.26862	0.6
449.27792	1.7
450.28519	0.6
491.28482	3.3
492.29218	2.1
580.34320	1.1
623.34064	1.4
624.15948	0.6
624.33972	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	623.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01389	16.4
60.80862	1.0
65.50496	0.9
67.62543	0.8
68.35239	0.8
71.01392	9.7
71.55711	1.3
72.99306	2.0
73.02958	2.0
75.00898	4.8
81.03445	2.0
83.01389	2.0
85.02963	6.9
87.00877	2.3
88.98835	1.0
89.02458	2.3
89.87502	0.7
95.01408	2.4
96.96010	2.6
99.00900	2.6
101.02416	4.1
111.83875	0.9
113.02438	6.6
122.03754	8.3
125.02486	1.0
137.02484	1.5
144.64009	0.8
149.04601	1.0
161.04626	1.6
165.04037	1.5
169.10190	1.1
171.08185	5.0
175.03979	1.2
181.05078	1.2
182.05489	1.2
204.87668	0.8
213.09232	100.0
214.09572	5.9
217.14429	1.2
237.09235	1.8
243.15936	1.5
249.06136	3.0
285.04099	1.9
315.05124	2.0
357.13474	8.0
373.26062	11.5
375.14548	2.5
375.27499	3.7
417.15433	4.5
418.15665	1.3
419.16214	1.7
491.28210	2.6
501.31131	1.1
519.31812	12.9
520.32117	1.4
537.32843	3.3
579.34003	3.9
623.15643	1.7
623.32953	29.5
624.33618	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	623.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
57.03452	3.6
59.01384	68.4
59.90975	1.1
60.01710	1.2
68.51466	1.2
69.23577	4.1
69.24003	7.4
71.01389	26.0
71.05035	2.2
72.99334	1.5
73.02966	5.4
81.03463	3.0
83.01399	4.0
85.02957	16.2
87.00873	3.8
89.02458	7.0
93.07098	3.8
95.01407	3.6
96.96030	3.9
98.20663	2.6
99.00884	4.3
99.04524	4.0
101.02435	15.2
108.02184	10.3
109.02978	2.6
113.02462	14.9
119.03518	2.8
125.02426	2.3
129.09207	3.6
134.03745	4.7
143.03534	3.4
143.10796	2.7
152.01167	21.2
153.09177	1.7
159.03040	1.8
161.04584	4.3
163.04001	2.1
167.03506	2.7
175.03975	1.3
179.03528	1.8
193.05057	2.3
198.29260	1.3
201.14957	1.4
215.16606	10.3
225.11324	2.7
245.17560	11.0
246.18135	1.3
255.70972	1.4
299.02112	2.1
315.04889	1.3
316.47522	1.3
336.58820	1.3
357.26529	3.6
375.27438	4.8
389.16083	6.9
389.21765	4.4
390.16455	2.0
401.63864	1.5
407.22968	4.1
429.10458	2.9
447.11505	5.7
475.21552	1.5
519.31757	100.0
520.32074	15.0
537.32880	27.8
538.33209	3.9
579.33667	7.2
623.16345	14.7
623.26215	3.4
624.16376	2.9
627.97742	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	623.1621
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
50.16574	0.6
55.01869	0.6
56.57050	0.6
57.03428	0.6
59.01389	5.7
71.01383	3.9
71.55326	0.9
73.02956	1.2
75.00858	1.8
83.01331	0.7
85.02946	1.6
85.64655	0.6
87.00872	0.8
88.98815	1.0
89.02438	2.8
89.97457	0.6
96.95985	1.4
101.02412	1.1
106.86902	0.7
108.02152	2.7
109.02944	1.3
113.02435	1.8
119.03492	0.6
119.05020	1.0
121.02948	2.2
123.00906	0.7
124.02299	1.5
129.01866	0.8
133.02963	2.4
134.03690	1.2
135.04538	1.3
137.02440	1.3
145.02956	2.4
147.04539	1.6
149.02432	0.8
149.04527	3.2
150.03200	0.7
152.01181	3.0
163.04008	2.5
164.07108	0.9
165.05505	1.1
165.57709	0.6
167.03526	0.7
175.04030	1.1
177.01929	2.2
177.03998	2.2
179.03543	1.1
186.77057	0.6
191.03493	1.1
193.04692	0.7
206.08272	1.1
210.06831	1.2
211.07587	2.1
223.06015	1.0
223.40417	0.6
225.05414	0.9
231.02831	0.7
239.07076	0.9
249.10957	0.7
254.23488	0.6
267.06625	0.9
269.00885	0.7
269.04309	0.9
283.06076	1.9
297.04044	1.2
298.04831	4.0
299.05539	2.1
310.04742	1.2
311.05646	16.0
312.06421	41.8
313.06732	3.5
321.04037	0.9
323.05667	2.9
324.06189	1.1
325.07211	1.1
326.07895	0.7
327.05051	1.2
337.07468	0.8
339.05176	4.4
340.05707	1.4
341.06580	1.9
344.05603	3.0
351.04861	0.8
353.06750	2.0
355.08218	5.0
358.06741	0.9
361.48306	0.7
368.05060	1.2
369.06253	1.1
370.06662	0.7
383.07736	33.6
384.08078	2.9
386.06232	0.8
395.07788	3.0
413.08786	17.7
425.08597	3.1
443.09943	1.8
461.10736	1.4
503.11972	15.9
504.12131	1.2
533.12891	2.7
549.09058	0.9
605.15027	1.6
623.16138	100.0
624.16498	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	623.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.1
69.20937	6.7
71.01379	0.6
86.92021	0.6
101.02464	0.8
151.00392	3.8
163.00385	1.5
183.04535	1.6
199.04004	4.2
215.03542	1.9
227.03502	4.2
242.02228	2.7
243.02991	18.8
244.03407	1.1
245.17699	0.7
248.71944	0.9
254.02197	1.5
255.02982	12.7
257.04568	2.8
270.01672	2.6
271.02493	39.7
272.00552	0.6
272.03107	4.3
285.04095	5.5
286.04843	1.7
287.05573	2.4
299.02005	38.4
300.02747	36.3
301.03177	2.2
314.04321	32.8
315.05115	100.0
316.05566	5.8
357.06177	1.1
519.31616	4.4
537.32867	1.4
623.16168	85.3
624.16620	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	623.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.3
59.01388	4.5
69.43855	6.3
71.01404	5.0
72.99295	1.0
73.02939	2.3
83.01404	0.9
85.02953	3.8
89.02433	1.4
95.01385	1.4
99.00882	2.0
101.02441	3.1
108.02180	52.0
109.02977	11.0
113.02461	2.9
116.92889	1.0
117.03445	1.7
132.02283	1.2
133.03000	1.2
134.03758	24.3
135.04555	5.9
149.06062	2.0
152.01161	100.0
153.01680	4.0
160.01668	2.6
161.02478	4.4
161.04549	2.4
163.04005	5.0
175.03993	3.4
177.01942	1.1
179.03525	6.3
184.91772	0.9
193.05032	7.8
207.02997	1.1
234.29341	1.2
265.70276	0.9
299.06070	1.0
315.07245	1.3
429.10367	11.2
430.10385	0.9
436.00000	0.8
447.11420	31.6
448.11887	2.8
462.11758	1.0
477.47946	0.8
507.64410	0.9
519.31671	3.4
532.23303	0.9
576.97015	0.8
623.16193	78.0
624.16443	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	623.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
63.02397	1.7
65.00341	1.2
65.83022	0.3
70.92025	0.3
73.02925	0.6
75.00884	1.1
83.01396	1.1
85.02959	0.7
87.00883	0.4
89.02450	0.8
98.19842	0.5
99.00925	0.3
99.95598	0.3
101.02474	0.7
105.03439	0.6
107.01405	2.4
109.02957	1.1
113.02442	0.6
121.02932	1.1
132.02188	3.0
133.02971	8.7
134.03760	3.0
135.00906	0.8
135.04541	3.4
148.01701	0.5
149.02463	1.8
149.04561	1.8
149.06001	0.6
151.00383	5.0
151.88693	0.3
153.01935	0.4
155.47566	0.3
160.01666	10.1
161.02461	9.8
162.70650	0.3
171.04594	0.4
175.04022	8.2
176.04382	0.6
177.01906	0.4
177.05528	0.8
179.03564	2.4
185.06087	0.4
187.03955	0.3
197.06015	0.3
198.03188	0.4
199.04024	2.3
201.02028	0.4
203.03510	0.5
211.03993	0.8
213.05591	0.5
215.03595	0.6
217.05032	1.4
221.04561	1.0
223.04103	0.4
225.18509	0.3
227.03539	1.2
240.04277	0.6
241.05061	0.7
243.02953	1.0
255.00223	0.3
255.02928	1.2
256.03760	2.1
257.04407	0.5
267.02856	0.4
282.05270	0.3
283.02509	0.9
283.05829	0.4
284.03284	34.4
285.04053	100.0
286.04404	6.3
297.03998	0.5
299.05624	12.5
300.06076	0.7
313.03467	0.6
323.04108	0.7
323.07755	10.8
324.08124	0.7
327.05026	0.7
339.07245	0.5
368.49823	0.3
373.26047	0.6
375.27527	3.9
376.27679	0.4
447.09467	0.4
466.36832	0.3
492.71960	0.4
579.33856	1.3
584.37451	0.4
623.14093	68.3
623.33710	2.6
624.14362	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	622.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34724	0.3
56.35076	0.3
57.03448	0.3
57.55797	0.4
59.01377	2.9
69.19915	2.6
69.20325	0.9
71.01381	2.4
73.02940	0.5
75.00874	0.6
85.02927	0.7
87.00887	0.4
89.02450	2.4
93.03478	0.4
96.96049	0.8
98.20612	0.6
99.00874	0.8
101.02464	1.9
103.11300	0.3
120.01262	100.0
120.68593	0.4
121.01658	0.6
121.74464	0.3
125.02494	0.4
130.08754	1.1
149.04565	2.3
172.09804	1.7
191.05603	0.6
217.39755	0.3
221.06593	0.4
236.10757	0.4
236.13452	0.3
299.02121	0.4
311.09860	0.4
460.19180	1.4
622.25848	3.1
623.15662	0.6
623.25916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1412
Annotation	kaempferol 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
59.01382	2.5
63.02397	1.7
65.00341	1.2
65.83022	0.3
70.92025	0.3
73.02925	0.6
75.00884	1.1
83.01396	1.1
85.02959	0.7
87.00883	0.4
89.02450	0.8
98.19842	0.5
99.00925	0.3
99.95598	0.3
101.02474	0.7
105.03439	0.6
107.01405	2.4
109.02957	1.1
113.02442	0.6
121.02932	1.1
132.02188	3.0
133.02971	8.7
134.03760	3.0
135.00906	0.8
135.04541	3.4
148.01701	0.5
149.02463	1.8
149.04561	1.8
149.06001	0.6
151.00383	5.0
151.88693	0.3
153.01935	0.4
155.47566	0.3
160.01666	10.1
161.02461	9.8
162.70650	0.3
171.04594	0.4
175.04022	8.2
176.04382	0.6
177.01906	0.4
177.05528	0.8
179.03564	2.4
185.06087	0.4
187.03955	0.3
197.06015	0.3
198.03188	0.4
199.04024	2.3
201.02028	0.4
203.03510	0.5
211.03993	0.8
213.05591	0.5
215.03595	0.6
217.05032	1.4
221.04561	1.0
223.04103	0.4
225.18509	0.3
227.03539	1.2
240.04277	0.6
241.05061	0.7
243.02953	1.0
255.00223	0.3
255.02928	1.2
256.03760	2.1
257.04407	0.5
267.02856	0.4
282.05270	0.3
283.02509	0.9
283.05829	0.4
284.03284	34.4
285.04053	100.0
286.04404	6.3
297.03998	0.5
299.05624	12.5
300.06076	0.7
313.03467	0.6
323.04108	0.7
323.07755	10.8
324.08124	0.7
327.05026	0.7
339.07245	0.5
368.49823	0.3
373.26047	0.6
375.27527	3.9
376.27679	0.4
447.09467	0.4
466.36832	0.3
492.71960	0.4
579.33856	1.3
584.37451	0.4
623.14093	68.3
623.33710	2.6
624.14362	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	621.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02898	4.2
53.00359	4.1
53.06549	4.4
59.01395	27.8
61.08640	4.6
67.83406	3.9
108.55968	4.4
157.74727	4.7
180.15717	4.0
264.35211	4.6
269.38339	4.4
271.04431	4.8
277.21768	10.5
343.19174	4.7
443.18484	7.7
444.19370	6.5
445.20050	5.0
461.19916	41.8
462.20215	8.7
475.21466	12.0
501.19290	6.2
503.21091	4.5
517.22302	6.0
520.21112	36.4
521.21222	9.2
534.22565	13.7
535.23389	50.2
536.23743	7.7
560.24078	6.3
574.23059	5.6
621.27179	100.0
622.27325	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	621.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32757	1.3
59.01386	100.0
77.65715	1.7
81.20652	1.6
86.11040	1.6
95.60371	1.4
108.92787	1.9
117.93797	1.8
145.94283	1.5
150.06549	1.5
209.11906	17.3
245.06313	2.8
249.96382	1.5
277.21722	25.0
278.22241	1.8
497.14114	2.2
539.11908	1.8
621.26929	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.4
57.03464	2.4
58.00604	2.0
58.08557	1.2
59.01385	100.0
69.03455	1.5
71.01387	47.2
71.54380	2.4
72.99315	1.9
73.02954	19.8
75.00877	2.0
79.49840	1.0
82.95405	1.4
83.01397	5.6
85.02956	9.1
86.21917	1.3
87.00877	3.9
89.02453	36.8
95.01407	4.8
97.02951	1.7
99.00883	2.9
100.97256	1.1
101.02455	27.6
106.06628	1.3
113.01729	1.9
113.02467	25.1
119.03510	13.9
121.66026	1.3
123.04568	1.3
130.33655	1.3
131.03505	3.2
132.39021	1.1
143.03479	5.8
149.04514	2.3
150.05615	1.4
151.00360	1.7
161.04572	7.7
165.04008	2.8
166.02759	2.1
179.05576	8.8
181.05083	1.7
216.61882	1.4
248.88097	1.2
335.69473	1.2
382.74640	1.2
417.15518	2.5
429.17426	2.5
441.21213	5.4
517.26550	30.2
518.26794	3.7
535.27594	21.4
536.28119	1.5
545.17529	2.9
577.28809	5.1
581.45465	1.2
621.14246	2.6
621.28058	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	621.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
59.01379	10.5
67.01878	0.6
70.07592	2.2
71.01393	6.2
72.99329	1.2
73.02949	2.8
75.00892	2.3
81.03431	0.9
85.02971	4.9
87.00890	1.8
89.02449	3.1
90.50466	0.7
95.01410	2.0
96.96023	22.2
97.02971	0.7
99.00897	2.1
101.02457	3.0
109.02959	2.0
113.02450	5.0
119.05075	0.8
121.02995	0.8
123.00894	3.1
125.02489	1.3
137.02446	8.7
149.02486	1.1
151.00372	19.3
151.04031	1.7
152.01076	1.1
152.04790	2.0
153.01958	0.7
165.03976	0.8
166.02731	59.6
167.03474	3.3
175.03998	1.5
177.01949	2.1
179.03465	0.8
180.02010	0.7
180.57661	0.8
181.05086	69.7
182.05397	2.5
184.03810	0.8
190.06346	1.4
192.04350	1.1
193.04987	1.0
194.55208	0.8
205.08693	1.2
207.00085	0.7
207.06680	1.2
227.07176	1.1
234.13992	0.7
237.11324	0.9
249.06113	3.3
265.05518	0.7
267.07166	6.8
294.08527	0.8
295.06134	0.8
322.36752	0.8
353.10446	4.0
359.11398	2.2
387.10873	15.9
388.11115	1.7
402.13144	6.5
403.13550	1.3
417.15570	100.0
418.16037	8.3
464.48746	0.8
489.26840	2.6
517.30090	1.2
577.22968	0.8
591.17206	2.9
603.17450	4.7
621.17584	6.1
621.32233	1.1
637.48291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
58.00597	1.6
59.01384	100.0
68.92147	1.1
69.57176	6.3
69.57592	3.2
71.01392	48.5
72.99303	3.4
73.02953	19.1
75.00883	3.3
78.28519	1.3
83.01394	5.5
85.02944	13.5
87.00884	4.8
88.98832	1.4
89.02451	39.9
89.03003	1.9
95.01382	2.9
97.02953	2.5
99.00880	1.6
99.04501	1.8
101.02454	31.0
113.02451	27.5
118.98055	1.4
119.03529	17.4
125.02441	2.0
131.03481	4.0
137.97270	1.3
143.03499	5.1
149.04553	5.6
157.63188	1.5
161.04543	9.1
161.13365	1.9
165.04047	3.7
166.02663	1.9
179.05634	9.5
205.12257	3.1
417.15460	2.5
429.17575	2.5
441.21368	13.6
442.21552	2.4
517.26489	30.1
518.26544	4.2
519.24274	2.0
535.27704	23.5
536.27429	2.7
566.09222	1.7
577.28479	5.8
621.28949	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	621.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00436	1.5
57.03436	3.4
59.01385	58.2
68.99821	2.1
71.01019	2.1
71.01391	36.4
71.55080	2.0
72.99312	9.0
73.02951	7.7
75.00874	20.7
77.28516	1.5
79.95709	2.1
83.01364	3.6
85.02961	33.8
87.00886	13.5
89.02464	16.6
93.03435	3.1
94.17997	1.6
95.01411	8.0
96.96026	54.0
99.00891	10.5
99.04516	1.9
101.02438	10.6
103.00363	3.2
109.02944	5.0
113.02460	46.9
117.01939	4.7
119.03503	3.9
123.00931	2.4
123.04510	1.7
125.02448	2.5
129.01933	3.5
131.03351	1.5
131.72002	1.9
135.03004	1.9
137.02460	9.3
139.00343	1.8
144.30717	1.5
146.03763	1.5
147.04485	2.3
149.02475	2.3
149.04562	2.4
151.00380	17.5
152.01105	3.5
160.01555	1.8
161.04573	3.7
161.06026	1.9
165.03976	2.6
166.02731	63.0
167.03400	3.8
169.95137	1.8
173.02475	2.0
174.03278	2.4
175.02451	3.2
175.03915	2.7
177.01918	3.5
179.10696	1.6
181.05087	75.4
182.05357	3.0
191.03546	2.7
193.04959	3.1
202.02667	3.0
205.04997	2.2
210.69632	1.7
217.04996	2.5
223.07616	2.6
227.07191	1.7
229.05046	1.9
237.05658	2.3
239.07028	3.0
249.06161	29.0
251.07114	4.6
263.07181	3.7
264.07797	3.3
265.04968	3.7
267.07181	67.7
268.07330	3.6
277.05029	2.3
279.06540	11.5
279.10233	4.8
282.09012	3.8
293.04767	2.6
294.05582	2.6
294.08734	4.2
295.06085	4.5
297.11221	2.3
308.06900	4.9
309.07645	4.6
313.11139	1.7
321.07309	2.3
322.08356	3.3
323.05667	3.7
323.09106	9.4
326.07703	3.3
338.07806	5.8
339.08395	2.6
341.10248	7.1
353.10300	32.3
354.10742	1.8
359.11356	2.8
371.11176	2.5
387.10822	13.0
397.08762	2.5
402.13071	5.5
417.15573	100.0
418.15775	7.0
427.13947	2.0
485.12933	6.3
489.27106	3.9
517.30493	7.6
535.31299	2.7
585.16199	5.5
591.17169	30.1
592.17664	3.3
603.17236	46.9
604.17389	4.8
621.18018	54.7
621.27637	2.1
622.18481	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	621.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
57.03451	0.5
57.77754	0.3
59.01121	0.4
59.01388	7.1
61.98819	0.3
63.64313	0.3
69.67116	0.5
69.67422	2.0
70.42870	0.3
71.01395	3.1
72.99339	0.3
73.02934	0.8
79.87904	0.3
83.01423	0.3
85.02947	1.2
87.00880	0.6
89.02443	1.0
91.01907	0.4
96.95999	1.2
98.19976	0.5
99.04532	0.3
101.02457	1.6
108.02175	0.6
108.38186	0.3
113.02448	1.0
122.34542	0.4
125.02481	0.4
132.02193	3.2
134.03767	2.7
135.00925	1.7
135.03000	0.5
148.01660	1.6
149.04504	0.4
149.06050	0.5
157.12244	0.3
160.01675	13.0
161.02151	0.4
171.10333	0.6
175.02557	0.6
175.04028	10.3
176.04639	0.4
178.69365	0.4
183.04552	0.6
184.05278	2.5
193.05042	1.6
195.04539	1.2
196.05240	0.8
211.04030	6.2
212.04695	1.8
223.04073	0.6
224.04820	1.9
239.03476	4.1
240.04283	4.4
267.03021	2.4
268.03790	75.9
269.04111	4.6
283.06149	100.0
284.06506	6.2
337.09323	9.6
338.09579	0.5
349.34509	0.3
355.24823	0.5
373.25946	2.5
458.37131	0.4
473.27582	0.8
489.27151	1.3
517.30316	1.1
535.31006	2.1
574.62720	0.4
577.32349	13.6
578.32892	1.1
593.12659	0.3
614.78784	0.3
620.38867	0.6
621.16284	4.2
621.31067	1.3
622.16779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03666	0.2
57.03448	0.5
59.01388	6.8
60.01719	0.2
61.81264	0.2
69.53072	1.7
71.01394	2.9
72.99310	0.4
73.02940	1.0
75.00883	0.5
75.80318	0.3
83.01399	0.2
85.02949	1.3
87.00896	0.5
89.02453	1.8
91.01896	0.6
91.19473	0.3
95.01350	0.3
96.96035	0.9
97.06601	0.3
99.00871	0.4
101.02447	1.7
106.12367	0.2
107.32304	0.2
108.02185	0.7
113.02437	1.1
119.03538	0.6
119.05050	1.2
120.05335	0.7
125.02463	0.4
132.02187	3.2
133.02969	0.5
134.03749	1.7
135.00905	1.2
138.01945	0.9
145.02965	0.3
148.01672	1.4
149.04529	0.3
149.06071	0.4
153.01863	0.4
160.01671	9.3
161.04655	0.4
163.04018	1.6
164.04359	0.7
175.04012	8.2
176.04482	0.4
183.04480	0.4
184.05299	1.9
193.05112	1.3
195.04506	1.5
196.05325	0.9
211.04004	5.4
212.04616	1.2
221.61670	0.2
223.04024	0.8
223.13451	1.7
224.04979	1.2
235.07956	0.4
239.03462	3.5
240.04279	3.9
267.02972	1.7
267.07181	0.3
268.03772	53.2
269.04132	2.9
283.06128	100.0
284.06470	6.2
291.19775	0.3
295.08350	0.4
300.25955	0.3
327.21689	0.8
337.09293	6.1
338.09683	0.4
350.70831	0.3
355.24966	0.3
373.26047	2.0
397.13364	0.8
415.14587	0.5
473.27408	0.4
489.27032	2.9
577.32397	4.0
621.16168	0.7
621.31799	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	621.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90127	0.8
59.01388	10.6
69.31289	2.0
69.31700	5.0
69.76854	0.7
71.01390	18.5
73.02943	2.0
83.01392	1.0
85.02980	1.5
87.00871	1.7
89.02457	2.0
96.96004	5.2
97.02978	1.2
98.39518	0.8
101.02435	3.0
105.01921	1.8
109.02946	1.1
113.02467	1.9
115.00375	8.8
117.15361	0.9
118.98041	1.0
121.02969	100.0
122.03278	3.3
125.02512	1.0
137.02409	1.3
147.02975	0.9
149.04524	1.6
151.00391	2.6
161.04553	0.9
165.04063	7.5
166.02724	5.4
181.03926	0.8
181.05089	8.6
237.04034	11.8
249.56808	0.9
282.18777	1.1
297.49457	0.9
371.98517	0.8
417.15585	9.8
621.24103	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2564
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.98841	1.2
70.48302	1.8
70.48661	1.6
77.02818	0.8
84.72650	0.9
100.09721	0.8
120.01650	0.8
258.97043	0.9
386.11469	1.0
389.15259	0.9
390.03918	1.0
401.13931	2.4
415.15604	2.8
416.16455	13.2
417.16745	1.4
429.16995	1.3
430.18015	4.2
431.18808	1.4
433.19818	0.9
444.15741	1.9
459.18268	100.0
460.18576	11.5
473.19812	13.1
474.20367	7.1
485.15881	1.2
501.19244	1.2
503.17200	3.0
517.18756	2.0
518.19623	45.9
519.19806	7.0
532.21533	7.0
533.21960	97.0
534.22296	14.1
587.23120	6.9
619.25623	82.6
620.25977	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	4.0
71.46135	1.7
74.52585	1.4
97.65057	1.5
105.21911	1.4
152.40999	1.7
214.65552	1.5
230.31842	1.6
349.20950	1.5
371.32611	1.5
401.14203	1.7
413.17722	1.4
415.15527	3.3
416.16394	12.3
429.17102	2.3
430.18295	1.9
459.18274	100.0
460.18661	12.5
473.19894	15.6
474.20554	6.5
499.17834	1.5
503.17310	3.0
518.19611	43.8
519.20172	6.2
532.21039	7.8
533.21936	93.8
534.22241	10.1
587.22980	5.7
619.25616	83.2
619.35986	3.6
620.26117	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	619.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75939	0.6
59.01385	100.0
60.01717	0.9
61.98838	3.1
68.99599	0.6
71.01390	2.6
71.05035	0.8
71.55350	0.9
73.02946	0.9
75.00880	0.8
78.95926	0.6
81.53217	0.5
83.01390	0.8
85.02973	1.6
87.00912	0.7
89.02457	1.9
93.03552	0.6
95.01440	0.6
96.96017	7.1
99.00879	1.1
101.02460	1.4
106.51543	0.5
109.02986	0.9
113.02459	1.7
116.92921	0.6
135.04579	1.0
135.84947	0.5
148.01747	0.7
149.06059	0.6
167.03548	1.1
175.04150	0.7
176.61044	0.5
177.01932	0.7
179.03464	0.5
183.06531	0.5
187.07697	1.3
207.10260	3.5
226.10004	0.7
233.11868	0.7
235.07738	0.7
237.09192	2.9
238.09848	1.1
241.12346	3.2
253.12503	2.0
278.13196	0.9
293.15427	3.2
309.15097	2.3
311.16544	8.4
312.16852	0.7
325.14597	0.9
336.87152	0.6
355.15521	37.9
356.15948	2.9
439.24710	0.9
510.43951	0.6
515.32239	0.7
619.33752	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95581	2.3
57.03447	3.2
57.89117	1.9
59.01107	3.2
59.01385	39.6
61.98829	5.2
63.92579	2.8
70.99580	1.9
70.99908	2.7
71.01394	17.0
72.99305	2.9
73.02942	7.9
74.57098	1.8
75.00942	1.9
82.95469	2.2
83.01406	4.9
84.04128	1.8
85.02937	8.0
89.02456	6.7
96.96026	16.6
98.19826	2.0
99.00922	2.9
101.02448	10.3
108.02160	4.0
113.02429	7.7
119.03557	2.5
121.02999	1.9
123.38611	1.9
125.02430	2.2
133.02939	3.7
134.03723	12.8
135.04559	9.9
137.02441	3.2
143.03523	2.4
145.02956	4.7
147.04530	22.3
153.01953	1.8
159.04427	2.6
161.04565	3.1
165.04094	2.7
165.05528	4.7
168.41472	2.4
173.06152	2.6
175.03970	3.0
184.48529	1.8
191.03442	2.5
193.05019	11.2
211.11404	1.8
212.08452	2.6
221.09731	4.8
223.09706	7.6
225.09276	11.5
226.09950	7.0
227.10779	8.9
235.07675	13.2
236.08275	5.6
241.12332	12.1
250.06386	3.6
251.10777	31.1
265.08679	29.0
266.09277	3.6
269.11832	24.1
270.12424	2.3
285.04083	4.2
291.13904	3.6
309.14972	3.1
313.10831	8.7
327.15878	8.0
341.13907	2.6
356.25006	2.3
371.15015	100.0
372.15393	7.9
443.22708	8.3
533.29279	3.4
575.30859	19.2
619.31494	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	619.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61954	1.1
57.03452	2.2
59.01386	27.6
61.98833	3.0
67.00414	1.0
68.99847	1.1
70.69675	2.5
71.01392	14.0
72.44891	1.4
72.91315	1.0
72.98936	1.0
72.99317	2.8
73.02953	3.1
75.00887	1.9
83.01422	1.2
83.05042	2.2
85.02947	7.3
87.00888	3.6
88.98801	1.7
89.02459	5.4
89.03981	2.1
95.01409	1.5
96.96015	9.7
99.00880	2.4
101.02443	6.1
107.05045	14.3
110.08535	1.1
113.02460	7.8
117.03468	3.9
119.03468	1.9
119.10571	1.1
125.02477	1.9
132.02234	2.3
133.03091	1.2
134.03758	80.3
135.04028	1.2
135.08086	1.1
137.02429	1.9
147.02975	1.2
149.04553	3.2
149.06102	6.0
160.01686	9.1
161.04582	1.8
167.03503	1.7
171.10312	1.9
175.04002	11.9
175.07733	1.7
178.02731	1.6
193.05074	100.0
194.05417	4.6
209.11803	1.5
309.11267	1.5
310.12091	1.8
319.09735	1.7
325.14471	8.7
335.12857	1.9
353.13950	32.6
354.14319	3.8
355.24966	1.6
383.13815	1.5
397.12958	1.7
443.22906	2.2
471.25916	2.6
515.32440	1.6
559.35266	1.2
575.30408	1.3
576.19556	1.6
619.31476	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	619.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	4.9
59.01388	54.5
69.03488	2.3
69.18002	5.2
69.18405	20.0
71.01394	18.9
72.99285	2.3
73.02960	8.7
83.01384	3.5
85.02950	12.1
87.00896	2.8
88.98802	2.5
89.02449	9.8
95.01402	3.6
96.96019	15.5
98.20747	3.7
101.02437	12.4
104.93911	2.2
107.05026	2.2
111.00944	2.2
113.02489	10.9
117.03539	2.7
119.03532	3.1
125.02471	4.7
131.03513	3.2
134.03745	6.9
135.04544	17.5
137.02431	2.8
145.02986	5.2
147.04529	29.8
149.04602	3.2
149.06029	2.8
150.03255	2.4
151.50862	2.1
160.01614	4.1
165.04102	3.2
165.05536	5.2
175.04016	4.1
193.05031	10.8
212.08296	2.8
221.09743	6.3
223.09781	8.1
225.09215	15.3
226.10059	12.4
227.10703	9.2
235.07753	13.8
236.08313	6.6
241.12306	12.3
250.06361	3.0
251.06999	2.3
251.10800	35.3
265.08743	22.0
266.09180	3.1
268.07434	4.1
269.11859	26.0
284.03442	2.6
285.03970	3.8
291.13974	7.7
295.09579	2.9
309.15106	2.9
313.10834	6.4
327.16046	8.1
371.15027	100.0
372.15387	9.0
443.22729	7.3
471.25595	3.7
575.31177	14.0
607.14038	2.5
619.31171	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	619.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56201	0.8
57.03434	1.2
59.01386	8.1
70.65510	1.9
71.01389	4.7
72.99316	1.3
73.02938	1.9
79.95749	2.1
81.79953	0.8
85.02957	2.3
89.02468	3.1
95.01366	0.9
96.96020	70.4
101.02445	3.2
113.02451	3.5
119.03550	1.3
149.04564	0.8
163.03987	0.9
165.07094	8.3
167.05032	3.2
200.24493	0.9
209.06093	100.0
210.06442	4.7
233.06108	1.3
240.16953	0.8
242.97166	0.7
249.11420	1.2
268.03723	1.8
269.04602	5.7
305.53207	0.8
350.10983	1.1
353.10098	0.9
371.11377	15.6
413.12399	3.5
429.17688	1.4
487.25455	1.4
559.14600	2.2
577.15649	1.4
584.25159	0.9
619.16241	4.6
619.29114	1.4
635.87067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96022	0.2
51.87270	0.3
56.65484	0.3
57.03452	0.6
59.01388	9.3
63.02398	1.5
63.04512	0.4
65.00323	0.5
65.05136	0.3
69.03465	0.5
71.01398	4.2
71.55020	0.4
72.99339	0.9
73.02945	1.9
75.00902	0.6
83.01420	0.9
83.05084	0.4
85.02956	2.4
88.98817	0.4
89.02454	2.7
93.03471	0.5
95.01431	0.6
96.96024	7.0
96.96603	0.4
99.00928	0.6
99.04527	0.4
101.02449	3.3
107.01392	2.5
111.00893	0.5
113.02459	3.5
117.03483	3.3
119.03541	0.7
119.05004	0.3
122.06149	2.2
125.02467	0.4
129.02003	0.4
131.03506	0.3
134.06224	0.3
135.03012	0.6
136.70462	0.3
137.02437	0.4
143.03462	0.4
149.02487	1.5
149.04536	0.7
151.00385	1.8
152.07210	2.4
153.67525	0.3
159.04536	1.8
161.02486	1.0
161.04578	0.5
161.09868	0.3
171.04576	0.7
176.68813	0.3
179.05652	0.3
183.04620	0.6
184.84720	0.4
189.04080	0.6
195.04543	0.4
196.05309	0.5
197.06079	0.6
199.04120	0.4
201.05627	0.4
205.12396	0.3
209.06090	2.9
209.86472	0.4
211.04112	0.8
221.00513	0.3
221.06671	0.3
224.04898	0.5
225.05586	1.2
227.03484	0.7
239.03517	1.2
240.04277	1.3
248.32310	0.3
253.09828	0.5
254.10692	0.9
255.11339	0.3
267.02966	0.6
267.07224	0.5
268.03793	21.0
269.04572	100.0
270.04944	5.1
281.08344	0.3
389.17529	0.4
419.18698	1.5
455.09604	0.7
463.17471	1.0
487.25290	1.4
490.01025	0.4
559.14673	0.4
559.27472	0.5
575.24005	0.4
577.15454	2.2
577.28723	0.5
601.27997	0.4
619.16553	49.4
619.24542	2.9
620.16858	5.6
620.26147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.14134	0.7
56.96534	0.8
57.03436	3.1
57.04698	0.9
59.01386	24.9
68.99822	1.7
69.29094	1.8
69.29510	5.4
71.01385	20.3
72.99304	4.5
73.02948	3.3
73.14984	0.9
75.00877	12.6
83.01379	1.1
85.02962	17.2
87.00887	6.4
88.98801	3.3
89.02451	8.2
89.03966	1.5
93.03455	0.8
95.01387	4.1
96.96018	17.2
97.02920	0.9
98.19938	1.9
99.00899	10.0
101.02455	4.7
103.00368	2.5
113.02460	25.6
115.00354	1.6
117.01898	1.2
117.03473	3.5
119.03549	1.4
119.05050	1.9
129.01897	1.7
131.03488	1.1
132.02173	3.4
133.02991	5.5
134.03751	59.9
135.02988	1.8
135.04393	2.6
137.02477	1.2
139.04048	1.0
147.04500	0.8
149.04515	1.2
149.06082	6.1
152.07195	1.3
160.01663	16.4
161.02394	3.3
161.04543	1.2
163.03960	2.3
175.02507	2.4
175.03989	17.2
177.01935	1.5
178.02695	1.5
179.03471	2.1
188.91092	0.8
193.03671	1.5
193.05060	38.8
194.05258	1.2
207.04926	1.0
209.06116	1.6
231.04814	1.0
249.06172	11.0
252.06546	0.9
267.07169	40.7
268.07639	1.1
276.06348	1.6
281.04556	1.7
348.08707	0.9
366.09021	0.9
381.11771	4.0
425.10818	7.1
443.11960	100.0
444.12335	8.2
471.25842	2.4
575.30859	2.4
619.16620	36.6
619.27429	3.2
620.16937	5.0
620.56335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05091	0.9
51.70201	0.6
59.01383	1.4
61.98837	1.9
66.46197	0.6
70.02514	0.6
79.05554	0.7
82.01569	0.7
82.25069	0.7
83.71725	0.6
86.60363	0.6
92.33006	0.7
96.96044	0.8
98.04256	0.7
98.54449	0.6
107.05052	1.4
108.02153	1.2
135.00954	1.2
148.01683	6.3
149.02477	4.1
152.86751	0.7
157.06598	5.9
159.04504	1.0
161.02481	3.1
163.00348	1.2
163.04037	2.1
166.12219	0.7
169.57477	0.7
171.04594	0.9
173.06120	1.6
175.07684	3.2
176.01134	1.8
177.01970	2.4
187.04018	2.1
189.02115	0.8
201.05606	6.0
204.00699	1.4
207.08083	1.0
215.03534	1.8
215.07164	2.8
216.04254	0.7
219.06602	1.4
225.09171	0.8
226.06264	0.7
229.20798	0.7
233.09691	0.7
235.07693	1.2
249.09285	1.1
251.07083	1.1
253.08733	1.6
259.07553	1.1
261.05499	1.1
263.07037	0.9
265.08722	1.1
275.07153	1.3
277.08722	7.6
278.05719	0.7
278.09354	0.8
279.06647	1.1
281.08157	1.8
293.05246	0.8
293.08176	4.9
303.06772	1.7
305.08151	6.5
306.05392	1.3
307.06079	2.0
309.04022	3.3
321.04089	2.3
321.07639	19.5
322.08273	2.8
332.06824	0.8
333.07718	0.9
335.05606	0.8
335.09225	2.1
346.08560	2.2
348.06335	0.8
349.07190	79.7
350.07855	25.5
351.08319	2.6
354.35007	0.7
363.08798	11.7
364.09546	100.0
365.10263	61.9
366.10583	4.3
377.10217	1.9
379.11816	1.3
396.12332	1.4
401.23120	1.0
417.05344	0.8
585.28613	0.7
587.30176	65.9
588.30493	11.1
617.31219	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	617.2627
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
55.01864	1.9
57.03436	3.1
59.01388	27.2
61.98827	1.7
71.01388	12.2
71.28145	1.1
73.02937	5.7
75.00852	2.4
83.01373	2.6
84.04544	1.3
85.02927	5.5
87.00874	1.7
87.04465	1.8
89.02454	9.0
95.01374	1.5
96.96011	11.1
99.00820	1.8
101.02474	8.6
106.06609	5.1
108.04548	2.5
108.08204	18.4
112.98560	2.8
113.02404	5.3
116.92833	2.7
119.03475	2.4
122.06143	14.8
124.07665	8.3
132.04567	54.9
133.05376	20.2
134.05223	1.8
134.06126	18.7
140.10809	3.2
148.04007	3.2
149.04628	7.3
150.05634	22.6
152.07198	5.8
158.43834	1.2
161.04517	3.6
162.05534	3.5
165.02985	1.9
165.04314	29.6
186.09169	2.0
212.10713	1.4
214.12302	4.5
215.11885	9.8
219.13913	1.6
226.07355	2.4
227.08244	2.2
229.09724	5.5
229.13316	2.5
229.54788	1.4
239.11780	2.8
240.10085	4.4
241.09917	8.0
241.13211	1.2
255.11418	7.8
256.11676	1.4
257.12967	69.0
258.13132	3.5
265.09680	1.6
269.12903	2.0
270.13507	1.5
271.14517	13.0
282.13428	1.6
283.08078	1.5
283.10898	21.5
285.03961	1.4
301.08691	2.0
301.11960	31.0
302.12134	2.0
327.09589	4.9
335.12296	1.3
360.17050	1.7
377.09863	2.2
388.16537	1.3
392.19672	1.4
441.20929	3.8
485.23865	3.6
555.26135	2.7
557.24048	27.6
558.23700	4.1
581.22882	1.4
585.23175	5.1
599.25110	100.0
600.25256	14.2
617.25763	58.4
618.24854	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	617.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
57.39272	1.0
58.00602	3.0
59.01385	100.0
61.98843	1.6
68.07095	1.0
69.03475	2.7
69.50696	6.5
69.51101	2.0
71.01390	40.7
72.99317	2.5
73.02955	55.1
75.00859	2.0
78.49194	1.1
83.01386	15.5
85.02980	5.6
87.00876	5.2
89.02464	11.8
93.17775	1.0
95.01408	1.4
96.96029	8.6
98.20592	2.4
99.00886	4.1
101.02457	57.6
111.00897	1.3
113.01728	1.6
113.02469	21.9
115.00358	3.8
119.03513	9.0
125.02444	4.3
131.03502	5.8
143.03516	6.8
149.04572	12.9
152.01241	1.2
155.03485	2.6
161.04565	26.1
163.04103	1.1
164.62970	1.0
174.01740	1.1
175.02573	5.0
175.03900	1.2
179.05704	1.9
184.99953	1.0
195.06599	1.5
203.05630	2.2
221.06642	11.6
231.13947	2.1
233.15483	11.4
249.15033	1.2
255.13914	18.5
256.14313	1.4
256.54456	1.1
259.17172	2.7
261.15051	2.0
273.14941	1.3
274.27414	1.1
311.50943	1.1
323.18826	1.5
333.17068	4.2
351.18063	7.4
431.09760	1.8
455.23019	2.7
471.22299	3.8
477.21286	3.7
483.22144	4.3
495.22244	2.5
513.23547	2.3
534.01801	1.3
555.24689	7.3
573.25574	8.9
617.26221	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	617.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
59.01385	100.0
71.01396	2.1
71.31789	0.7
73.02923	0.7
83.01446	0.5
85.02991	0.6
89.02469	1.6
96.96023	2.7
101.02478	1.2
113.02463	0.8
114.70144	0.4
116.92931	0.7
123.00904	0.5
124.01727	0.7
139.04024	0.8
149.04608	1.6
157.06660	0.6
161.02490	1.4
164.01163	6.2
171.10320	2.3
175.04100	1.2
177.01985	1.8
177.23729	0.5
178.02710	2.9
179.03580	2.1
179.58958	0.5
193.05139	3.9
201.05678	0.7
209.11935	2.0
243.91183	0.5
263.07199	0.6
306.09210	1.4
319.06274	0.6
324.91919	0.6
333.07864	1.1
334.08362	2.5
336.10114	1.2
345.08041	0.6
349.10947	1.7
351.12604	1.3
361.07193	2.6
362.08032	6.0
362.12082	0.6
363.08527	0.8
367.12253	1.6
377.10327	26.9
378.10953	1.4
395.11371	46.6
396.11676	3.0
455.23251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17222	0.6
55.01894	1.1
57.03482	1.4
57.08289	0.7
59.01109	1.2
59.01387	36.1
61.98858	1.0
65.00375	3.1
68.99866	2.1
69.03501	1.7
71.01390	17.8
71.55630	1.2
72.99357	1.6
73.02953	18.3
75.00925	1.4
76.43356	0.6
79.05583	0.9
83.01393	6.4
83.05074	1.2
84.85099	0.8
85.02970	6.4
87.00943	2.2
89.02454	7.2
95.01434	1.9
96.96029	8.9
98.20486	0.8
99.00916	1.8
101.02450	14.0
103.46638	0.7
105.07193	2.1
107.05037	8.7
109.02961	1.6
110.00125	1.0
113.02456	6.5
117.03529	1.3
119.03522	1.7
122.06213	0.7
123.00907	3.7
123.08169	5.5
124.01721	2.2
125.02528	1.7
129.07164	1.1
130.04364	0.7
131.03580	1.5
131.05141	2.4
131.37010	0.7
133.03053	0.7
135.01050	1.0
135.04602	1.2
135.42717	0.7
137.02528	2.4
137.04996	0.8
139.04144	0.8
147.04556	1.1
147.08179	9.3
149.02550	2.9
149.04636	3.5
149.06062	6.7
151.00481	1.7
151.04022	11.3
151.05064	0.8
152.01163	1.1
152.07173	0.8
160.01752	1.3
161.02510	2.6
161.04648	1.3
161.06172	1.2
162.03244	6.7
163.00426	1.7
163.04045	1.6
163.07686	1.7
164.01286	0.8
165.01997	0.9
167.07149	1.0
171.10297	4.4
173.02661	0.8
173.06067	5.4
175.04080	2.9
176.01213	2.8
177.01923	6.8
178.02670	0.9
188.01222	1.3
189.01923	4.2
189.05547	3.9
190.02621	0.9
190.06374	1.8
191.03586	2.5
191.07149	50.7
192.07607	1.5
193.05006	0.9
193.08737	2.1
203.03590	2.6
203.07181	1.8
204.04158	1.6
209.08215	19.6
209.11661	3.6
215.03644	2.2
217.05057	14.4
218.05826	3.4
219.06555	3.8
220.07503	0.9
230.02251	1.9
231.06665	11.7
235.06178	1.8
243.06573	0.9
243.16107	1.4
249.07759	3.2
251.07324	1.1
255.02780	1.2
255.06839	1.2
256.07388	1.2
257.08289	3.4
263.07758	1.1
287.05573	2.3
301.11887	1.9
309.07922	0.9
319.09586	1.2
319.13095	3.3
339.05069	0.9
353.12650	13.4
354.12784	1.2
362.07980	1.0
363.08972	1.2
371.13495	22.3
372.13794	1.1
380.09039	10.3
381.09686	5.5
382.10556	0.8
395.11346	34.8
396.11539	3.6
397.12347	1.5
398.09894	1.0
413.14566	100.0
414.14990	7.0
415.45920	0.9
439.12476	3.8
441.21329	3.6
453.14087	2.9
531.14996	1.1
536.12756	1.0
557.16614	4.3
575.17737	7.2
585.15997	1.5
599.24951	1.3
602.16687	7.3
603.16815	1.0
617.18726	99.6
618.18896	11.4
618.27997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28763	0.7
59.69865	0.5
61.98836	100.0
69.98701	0.6
70.94762	1.4
79.82552	0.5
99.13905	0.6
125.23686	0.7
179.10782	0.7
183.31435	0.5
197.11887	2.4
255.23392	2.4
396.07175	0.6
543.34711	0.6
553.37433	5.4
554.37921	1.0
617.23810	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	617.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01707	0.9
62.47489	0.8
70.81297	1.7
72.84721	0.9
73.73427	0.8
78.18862	0.8
83.00637	0.8
83.31884	0.9
87.61739	0.8
87.93009	0.8
90.97130	2.0
115.02532	5.4
116.98670	0.9
117.00443	6.6
120.96978	0.9
132.98201	5.7
141.00386	1.4
157.03529	1.4
159.01509	58.6
160.01669	2.8
174.99258	41.0
175.99615	1.2
201.02538	12.0
202.02664	1.0
217.00310	85.1
218.00674	2.0
232.98276	2.6
256.98230	1.2
259.01672	1.3
274.99365	6.1
290.97134	3.8
301.02692	27.7
302.02798	3.8
317.00418	66.8
318.00616	4.5
332.98196	25.8
352.22055	0.9
359.01480	4.8
374.99261	33.9
375.99564	1.6
390.97272	1.6
459.01489	5.0
460.01929	1.2
474.99374	29.1
475.99991	1.5
514.97144	2.2
522.84021	1.0
555.00262	1.3
556.98383	38.2
557.98279	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	615.4061
Annotation	Sugikurojin J
Peak:m/z	Relative Intensity
53.84652	1.4
69.50383	1.4
71.41351	2.4
76.18128	1.1
77.58889	1.0
85.40169	1.3
93.03443	1.3
107.05029	9.9
119.90326	1.3
135.04527	4.3
152.77531	1.2
170.07274	1.4
173.06078	2.3
188.08386	4.3
189.09134	2.0
191.40254	1.5
211.07581	8.3
212.08340	3.9
213.09114	1.2
224.08365	1.3
225.09254	7.9
235.14948	1.3
237.09285	3.1
256.07452	5.4
269.08115	8.9
279.13931	45.8
280.14255	3.4
281.08240	3.5
305.11880	7.7
323.12900	46.0
324.13101	3.3
331.20963	2.5
347.20148	5.6
349.21786	12.0
375.19577	4.3
392.19791	6.9
393.20715	21.5
394.21033	2.3
462.70523	1.2
466.18744	1.3
472.05453	1.3
615.40533	100.0
616.40735	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	615.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11342	1.4
65.82236	1.5
71.54718	1.4
71.55108	1.7
79.05535	4.6
80.96523	2.6
83.57163	1.5
107.05048	31.2
122.10044	1.5
131.08669	3.1
136.01691	1.7
148.01675	1.8
157.06578	8.2
159.04509	8.0
160.05281	3.0
175.07663	100.0
176.07997	3.5
187.04015	1.9
187.07664	2.5
198.75769	1.5
199.07793	2.1
201.05589	2.9
201.09077	1.8
213.09174	2.5
214.06429	1.9
215.07166	10.1
217.08595	4.5
219.06612	2.6
241.08754	2.3
257.08224	10.8
285.07678	5.5
325.18011	3.4
342.18320	5.7
357.20740	11.1
384.19418	3.7
399.21899	9.7
407.18570	5.5
424.18753	7.9
439.21252	28.1
440.20956	3.3
505.52017	1.6
555.28394	7.1
557.28101	2.0
571.26971	3.4
585.28400	8.9
597.28760	21.1
598.28949	1.9
610.85651	1.6
615.29614	73.3
616.29907	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	615.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00561	0.9
59.01384	23.7
64.93215	0.9
70.36615	2.2
70.37032	1.6
71.01384	9.8
72.99308	1.9
73.02953	14.5
75.00887	1.1
75.53952	0.9
82.95402	0.8
83.01392	8.9
85.02940	3.2
87.00874	3.5
89.02430	2.4
96.96038	6.2
99.00879	3.9
100.01665	3.7
101.02448	12.2
108.02155	1.2
111.00888	10.5
113.02451	5.1
113.99597	43.0
115.00401	16.0
116.61710	0.8
119.03493	1.2
128.01160	2.7
134.03716	1.1
139.00362	2.9
143.03522	1.5
149.04547	1.4
152.01147	1.1
156.00665	50.1
157.01440	4.1
161.04543	2.7
174.01701	100.0
175.02414	6.2
193.05038	1.2
213.12950	0.9
231.13828	1.2
287.16583	4.3
289.14474	1.3
471.22128	1.8
509.24188	1.6
511.21820	11.0
512.22211	1.2
535.21979	1.0
615.23206	2.3
641.47058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70124	1.0
55.01870	1.5
59.01385	45.1
70.10081	2.6
70.10471	2.8
71.01385	17.1
72.99280	2.2
73.02948	24.7
75.00910	1.5
75.84198	1.0
83.01381	6.2
84.03818	1.1
85.02950	2.4
89.02447	5.1
89.04008	1.1
89.67344	1.1
100.27133	1.2
101.02445	13.8
113.02425	3.5
118.37532	1.2
133.02965	13.2
135.04510	2.0
157.06506	5.4
159.04497	2.1
161.02452	52.1
161.04510	2.2
162.02832	2.2
174.06868	2.9
175.03976	1.9
175.07649	5.2
176.04799	10.6
187.03970	2.1
190.06279	1.3
201.05586	7.8
202.06239	2.4
240.07944	1.4
307.09753	2.6
319.09695	3.3
323.05679	1.3
332.55057	1.2
335.05475	1.2
335.09290	3.7
345.07806	1.3
363.08795	21.6
364.09085	1.8
377.10544	1.5
378.11063	9.1
379.11496	2.4
381.09998	2.7
393.13449	100.0
394.13806	11.9
395.15057	3.0
411.14575	5.6
555.18683	10.5
573.19904	13.4
574.20050	1.9
600.18231	2.0
615.20813	98.4
616.21014	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	615.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.1
57.03440	6.9
57.32820	2.0
59.01387	87.2
59.13803	1.5
59.14168	1.8
60.01709	1.9
61.98846	4.1
64.61259	1.7
67.01904	2.1
69.03439	2.6
71.01392	42.2
71.04620	1.7
71.55461	3.2
72.99318	11.8
73.02952	8.9
75.00880	29.5
76.44522	1.8
83.01389	5.1
85.02959	44.2
85.06597	40.9
87.00898	12.4
89.02460	16.3
89.03923	2.4
95.01409	9.4
96.96018	23.3
99.00903	21.3
99.04530	3.0
101.02473	10.8
103.00378	5.5
111.00895	8.3
113.02455	52.1
113.06109	32.1
115.00354	3.8
115.04016	15.3
116.92887	3.9
117.01929	2.2
117.03456	10.2
119.03548	2.5
122.06154	2.3
125.02467	3.6
129.01939	6.3
129.05519	1.7
131.03572	2.9
132.02159	5.6
133.02946	8.3
134.03754	100.0
135.04451	3.7
137.02412	2.9
139.00368	4.8
139.03987	3.8
143.03552	2.0
149.02435	2.3
149.04523	7.3
149.06085	12.5
157.01431	5.0
157.05048	5.6
160.01680	24.1
161.02341	6.1
161.04503	3.4
175.02493	5.3
175.03999	34.9
175.73415	2.0
179.03499	2.9
179.05405	1.7
180.27100	2.1
189.07762	2.5
192.44160	1.8
193.05075	75.3
195.06662	2.1
205.07117	2.9
223.06107	3.9
223.08142	2.3
231.05156	2.7
232.90746	2.1
249.06093	24.1
255.02914	7.4
256.03613	2.5
263.07651	2.8
267.07150	33.9
270.21881	2.3
281.08789	4.9
283.02597	11.5
283.05426	2.1
284.03192	4.0
285.04065	5.4
290.16479	1.8
291.07486	2.1
309.08270	59.8
310.08701	3.0
366.09631	1.8
372.62546	1.8
393.13354	3.1
421.13193	3.2
425.11060	14.4
426.10889	2.5
439.14685	44.4
440.14960	2.5
443.11896	42.1
444.11972	3.1
457.07626	3.2
457.13629	48.3
458.14206	2.8
467.11679	2.3
483.33377	3.3
485.13113	48.2
486.13150	5.3
579.24030	11.6
597.17798	3.9
615.19220	69.1
615.28082	4.9
616.19287	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59692	2.0
53.94769	1.8
57.03437	5.4
58.02966	2.8
58.12730	2.1
59.01112	3.1
59.01385	43.5
68.98499	1.8
68.99820	2.8
69.03460	2.3
69.23406	6.3
69.23821	14.0
70.02992	2.4
71.01385	27.6
72.23795	2.1
72.99306	5.7
73.02938	2.5
74.02477	27.6
75.00874	16.9
82.10228	1.9
83.01357	2.4
85.02957	23.7
87.00877	6.3
89.02455	6.1
93.72696	2.1
95.01388	6.0
96.96025	6.6
98.02480	5.7
99.00869	8.4
103.00390	2.4
113.02471	24.3
116.03539	7.4
116.05064	6.3
117.01983	2.5
127.74214	2.0
129.01915	2.5
133.06619	3.9
134.03773	19.2
135.08177	2.6
137.06140	3.2
139.07637	2.8
159.09253	2.8
161.06020	2.4
168.96217	2.1
174.13579	2.3
175.02469	2.1
187.11163	4.0
193.05081	22.1
201.10406	2.1
203.08311	19.8
205.12283	4.1
217.12331	3.8
231.05138	3.8
245.09311	63.9
246.09715	5.8
249.03801	3.3
249.06149	37.5
267.07236	30.9
511.18201	41.8
512.18481	6.4
529.18707	3.3
565.06946	2.5
571.20300	100.0
572.20587	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	615.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.0
56.84792	2.6
57.03457	4.2
58.71848	2.0
59.01387	52.2
61.98820	2.9
68.99828	2.6
69.03465	4.1
69.67093	2.5
69.69614	12.9
71.01389	30.2
72.99316	4.7
73.02940	4.4
75.00887	16.9
79.95743	2.4
83.01417	2.5
85.02959	25.6
87.00913	7.4
89.02470	10.8
93.03485	4.2
95.01402	5.1
95.15665	2.3
96.96027	55.3
97.02953	2.3
98.19954	3.4
99.00896	9.5
101.02432	4.4
103.00352	4.0
106.99960	2.3
108.02216	2.6
109.02995	6.3
113.02472	38.7
115.00387	2.4
117.01948	2.8
122.03768	5.5
125.02500	3.2
129.01945	3.3
133.06606	3.2
139.07619	2.6
150.03232	2.9
175.02432	3.9
179.05516	2.9
179.83243	2.2
205.12370	5.3
217.12372	3.1
231.04980	4.2
245.09383	2.7
249.06146	31.2
261.11429	3.5
267.07254	44.9
318.63330	2.8
511.18185	51.3
512.18140	4.7
529.19257	3.6
571.20349	100.0
572.20807	8.8
615.20721	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	615.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	5.9
59.01384	13.2
69.03434	0.9
69.60784	6.4
70.02992	7.4
71.01385	7.6
72.00887	2.5
72.99295	1.0
74.02480	36.9
75.00889	5.9
79.34521	1.0
80.85859	0.9
84.12383	1.0
85.02957	6.9
87.00883	2.5
89.02444	3.4
95.01379	1.7
96.96021	8.4
98.02480	7.2
99.00890	4.6
109.02946	1.4
113.02470	9.7
116.03546	10.1
116.05064	14.1
117.03455	2.6
122.93684	1.0
130.06703	1.2
133.06558	1.5
134.03757	34.2
139.07668	1.2
142.06615	3.5
149.04561	3.3
149.06097	2.4
152.94035	1.0
159.09280	3.3
175.02554	1.2
175.10027	1.1
193.05075	44.1
201.10353	2.3
203.08278	38.5
204.08647	1.3
217.12192	1.3
245.09323	100.0
246.09689	4.1
249.06181	9.2
267.07199	9.7
321.31787	0.9
325.09225	4.0
361.84280	1.1
460.55057	0.9
511.18283	13.8
571.20306	27.7
572.20575	3.6
615.17157	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	615.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52539	0.6
55.83887	0.6
57.03455	1.0
59.01384	5.9
61.98834	2.2
65.00328	23.9
67.01870	1.4
68.99841	0.8
69.39204	5.2
69.61966	0.6
71.01376	2.7
71.80011	0.6
72.99293	0.8
73.02939	1.2
79.05536	8.3
83.01396	1.0
85.02929	1.0
87.00882	1.1
88.98807	0.8
89.02457	0.9
91.01948	0.6
93.70539	0.6
94.08394	0.5
95.01408	0.9
96.96035	5.8
101.02483	1.3
103.05540	8.0
105.07110	3.7
106.74656	0.8
107.05035	8.1
109.02936	0.9
109.06541	0.5
111.00906	3.3
113.02428	1.8
117.03472	0.6
119.01263	0.6
119.89103	0.6
122.03727	0.9
123.08192	1.3
125.02438	3.0
129.07108	2.4
130.04274	0.7
131.05054	6.8
135.00887	1.3
137.02449	1.4
145.06580	1.7
147.04533	1.8
149.02409	1.0
149.04648	1.2
149.06073	12.3
158.03656	1.1
161.02438	1.6
161.06024	0.8
163.00406	0.9
165.01869	0.8
167.03453	0.9
169.09962	0.6
171.10240	1.5
172.05321	0.8
173.06078	19.2
174.01711	0.6
175.02568	0.6
175.04022	2.5
177.02000	0.8
178.02708	0.8
189.05600	4.0
191.07123	0.8
192.46950	0.7
193.05104	0.6
207.10274	0.9
209.11865	2.6
213.09254	1.4
217.05063	100.0
218.05464	4.3
225.11456	0.8
235.06030	0.8
239.03546	0.9
269.04437	0.9
281.07974	0.6
285.03995	2.2
297.03958	1.2
298.04877	1.0
305.08096	0.8
334.08563	1.1
350.08179	0.8
361.07385	0.9
362.07974	2.0
365.10272	3.3
367.08237	2.0
378.07370	1.5
393.09821	67.3
394.10165	4.6
411.10818	12.8
412.11108	1.1
443.20078	0.6
555.15106	6.9
556.15497	1.1
615.25366	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	615.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81984	0.4
57.49535	0.5
59.01377	3.1
61.98832	0.6
62.38060	0.5
63.40559	0.5
65.00331	24.1
67.01888	1.7
68.99844	1.0
69.25734	0.4
71.01380	1.1
71.55134	0.6
73.02945	0.7
79.05548	7.5
83.01405	0.9
85.02928	1.1
85.74596	0.5
89.02398	0.4
90.52201	0.5
92.49809	0.4
96.96022	1.5
101.02446	0.9
103.05550	8.4
105.07117	3.7
107.05045	7.9
111.00880	3.8
113.02472	0.6
124.01640	0.5
125.02480	0.9
129.07109	3.1
131.04079	0.9
131.05032	7.5
134.03786	0.6
145.06587	1.3
147.04506	2.2
148.01500	0.5
149.04640	0.7
149.06090	11.1
150.03239	0.8
151.00421	0.7
153.04378	0.5
158.03792	0.6
160.01683	0.6
161.02400	1.2
161.06078	0.8
164.01105	0.8
172.05305	1.1
173.02431	0.6
173.06081	17.9
173.07562	0.9
174.03201	0.9
174.06396	0.9
175.03998	2.5
176.01140	0.7
177.01892	1.3
178.02681	1.0
188.04861	0.6
189.05566	5.1
191.03610	0.6
191.07164	1.2
193.05058	2.0
211.04129	0.6
215.03548	0.8
217.05064	97.2
218.05420	4.7
219.03001	0.5
235.06061	0.7
239.03452	0.8
243.03003	0.6
249.09077	0.6
251.03499	0.7
263.07675	0.5
280.07465	1.1
281.08258	1.3
285.04105	0.5
295.02408	0.7
297.03979	0.7
305.07983	0.8
307.06012	0.6
321.07803	0.7
322.08487	1.5
323.01926	0.8
333.07870	0.8
334.08258	0.7
335.05518	0.8
349.07104	0.9
350.07932	1.7
352.09555	0.7
353.06659	0.7
361.07184	1.4
362.07947	2.7
363.04797	0.8
365.10242	3.9
367.08243	1.6
377.06665	1.0
378.07455	1.9
379.08234	0.8
393.09821	100.0
394.10138	6.9
410.80988	0.6
411.10901	14.5
412.11322	0.8
425.11945	0.6
425.18826	0.5
615.22260	1.5
616.33722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3904
Annotation	Uriolide
Peak:m/z	Relative Intensity
51.56680	0.9
61.98833	14.8
64.66534	0.9
69.49475	0.9
70.76752	1.8
70.77088	2.1
107.05048	2.1
135.04510	3.1
139.00316	1.3
197.09605	1.2
225.09267	4.5
226.09944	1.9
237.09193	1.5
265.12454	1.1
273.84827	1.0
277.12485	1.2
279.13840	4.1
292.94598	1.0
295.17014	1.4
299.84442	0.9
305.19040	2.3
307.64996	1.0
315.13992	1.6
323.12759	1.1
339.15958	1.5
349.21753	4.0
357.22455	1.1
359.19580	1.0
361.21780	1.3
399.23331	1.2
449.16153	1.0
505.34909	1.6
507.36053	3.7
525.37292	1.9
533.37915	1.7
549.37317	5.9
550.37866	1.3
551.39044	7.8
552.38782	1.4
569.40131	7.1
577.36230	2.0
595.37958	46.5
596.38617	5.3
613.39020	100.0
614.39233	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	613.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15468	0.7
57.37494	0.6
59.01384	72.8
60.01717	1.1
61.01806	0.6
69.27631	5.2
71.01393	5.4
81.03474	0.7
85.02946	1.6
85.69160	0.6
89.02451	4.3
95.91027	0.7
97.06615	1.7
98.19936	1.5
99.04513	2.3
100.04855	0.6
101.02438	3.0
113.02476	1.5
119.03462	1.1
119.05032	0.9
135.08162	2.1
137.02374	0.5
137.16827	0.6
142.33687	0.7
143.97304	0.6
147.08157	2.8
151.56113	0.7
163.03967	0.8
165.09239	1.2
181.12376	0.6
207.13864	3.2
208.14207	1.8
209.14500	0.9
225.11333	100.0
226.11688	3.7
231.37100	0.7
251.12912	5.7
252.13254	2.8
253.13541	3.1
327.05048	0.9
431.19312	2.8
432.19910	3.3
433.19827	8.3
562.40356	0.6
613.25952	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	613.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
61.98833	1.4
67.01896	25.3
69.71859	2.8
74.78459	0.5
80.68437	0.5
83.04994	0.6
91.05553	0.7
98.19898	1.0
107.05052	1.2
108.02193	2.1
121.03002	0.6
123.04549	1.2
135.00916	0.9
135.04547	1.8
148.05322	8.2
149.02437	0.6
150.03279	1.7
151.04085	1.2
161.06093	1.3
163.00336	0.7
163.04047	1.5
165.01962	0.7
165.05583	1.6
167.03519	1.0
171.08202	1.2
173.06052	0.7
174.06914	1.1
175.07619	1.8
180.04372	0.8
195.11792	4.3
197.09706	0.6
213.09248	0.6
221.13489	0.8
225.09155	3.7
226.09868	0.7
227.10751	1.0
237.09196	1.4
239.10793	100.0
240.11090	4.9
263.10849	1.7
265.12347	21.8
266.12717	1.4
293.15945	0.5
347.20142	2.1
365.21219	10.3
366.21487	0.6
371.20358	0.5
373.21259	1.1
381.49866	0.6
391.22937	4.5
409.20233	51.5
410.20575	4.2
466.18347	0.8
541.25977	1.0
568.80786	0.7
569.25519	0.9
613.24432	60.6
614.24750	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	613.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	0.9
61.98830	2.4
63.04029	0.9
67.01900	10.3
69.56393	3.5
69.56804	1.5
71.42675	0.7
75.58521	0.8
87.03539	0.8
98.20568	1.6
107.05031	2.9
108.02175	1.9
122.03757	1.7
123.04536	1.2
134.03746	1.4
135.04503	5.6
137.02504	1.2
143.08380	0.8
144.73943	0.8
147.04536	1.5
148.05328	5.1
149.02367	1.2
150.03241	1.0
151.03987	1.3
165.05515	0.9
167.03580	0.8
171.08087	1.4
173.06065	2.8
175.07658	1.0
181.10172	1.1
195.11774	2.3
213.09264	5.7
225.09225	28.8
226.09897	8.5
227.10818	6.5
237.09229	7.5
238.09938	3.5
239.10799	43.9
240.11084	2.7
249.09180	1.6
251.10786	2.1
263.10681	4.7
265.12378	8.8
269.08221	3.3
273.07611	1.2
277.12326	2.9
279.13428	0.9
295.17355	2.1
297.17673	1.2
339.15869	1.3
340.16415	2.0
341.16647	2.0
345.18668	3.6
347.20178	26.4
348.20511	1.6
365.21191	11.9
366.21399	1.1
373.21884	5.0
381.11755	0.8
391.22711	3.9
409.20227	100.0
410.20612	11.6
613.24438	65.8
614.24689	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	613.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74195	1.3
60.77022	1.4
69.45295	7.2
69.45719	2.9
80.02682	2.9
80.96525	2.9
98.19876	1.5
108.01472	2.2
108.02183	32.5
121.19598	1.4
123.04532	24.1
135.00922	1.6
135.04527	3.3
136.01694	3.6
147.04578	1.6
148.01678	2.4
151.04007	24.7
159.04532	94.1
160.04935	3.3
163.00403	5.8
174.03217	2.8
175.04005	3.7
175.07629	1.4
179.03421	2.7
187.03976	2.6
187.07637	1.5
192.00508	3.5
195.03018	18.9
201.09164	1.5
207.02983	5.3
213.09225	5.8
225.09178	1.8
226.09895	1.6
228.07854	2.1
229.08737	2.0
237.09006	1.6
245.36719	1.4
250.06357	3.3
250.09972	2.9
251.10782	5.7
263.07117	2.2
265.08557	3.0
282.08899	6.3
318.67407	1.3
328.13177	4.5
349.21753	5.1
359.20178	2.3
361.21646	2.8
373.21732	59.7
374.22028	4.8
375.19608	4.9
387.19482	2.0
388.20148	1.9
389.21179	10.0
393.20691	14.8
401.20856	2.0
405.20712	3.7
415.19147	7.7
417.20731	100.0
418.21161	11.7
433.20224	24.3
434.20648	4.6
507.25720	3.0
551.24396	9.1
555.28455	7.6
556.29559	1.6
569.25610	2.7
595.23376	7.3
613.24445	76.7
614.24908	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	613.2159
Annotation	Galalpha1-3Galbeta1-4GlcNAcbeta-Sp
Peak:m/z	Relative Intensity
59.01382	20.0
60.69708	0.6
61.58366	0.6
66.44294	0.5
69.63549	1.2
69.63955	2.9
71.01383	12.5
72.99300	1.3
73.02942	1.2
75.00856	0.8
83.01415	1.1
85.01034	3.3
85.02972	3.9
87.00884	2.9
89.02451	14.2
92.17991	0.6
95.01397	1.7
96.96021	6.5
97.02952	0.7
101.02451	12.0
102.02814	0.7
107.01351	0.6
111.00905	0.7
113.02454	6.7
115.02119	0.8
119.03532	7.6
129.03648	0.8
133.05035	1.1
143.03490	0.9
145.03177	0.9
151.00386	2.8
152.01166	0.6
165.05583	1.1
169.01424	1.5
181.04880	0.7
207.68326	0.7
295.10342	8.9
296.10751	0.7
309.11832	4.5
321.09879	1.8
335.11642	2.7
363.11224	0.8
391.10446	1.0
613.21674	100.0
614.21942	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	613.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80902	2.0
55.01880	2.1
57.03452	6.4
59.01390	14.8
71.01387	59.1
71.54176	3.6
72.99314	2.6
73.02956	15.2
75.00905	2.6
83.01404	6.3
85.02956	28.1
87.00903	3.5
87.26788	2.2
87.46954	2.5
87.87224	2.0
89.02464	7.2
93.03455	5.0
95.01401	4.2
96.96021	28.6
99.00890	9.0
101.02450	34.2
106.04238	3.7
107.01350	2.0
107.05040	95.6
108.02193	2.5
108.05354	2.4
111.05337	2.3
113.02465	23.2
137.02412	6.1
143.03477	3.3
151.00389	6.7
151.04024	100.0
152.04356	4.7
159.02959	6.9
161.04572	41.2
187.70084	2.1
313.09320	16.5
456.77579	2.5
613.22528	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	613.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.1
59.01382	4.5
60.99313	0.7
61.98819	1.9
67.75322	0.6
69.03456	2.4
69.41389	1.9
69.41815	2.3
71.01385	3.3
72.99314	1.0
73.02951	1.5
85.02953	3.5
87.00911	0.7
88.98822	2.4
89.02457	1.8
92.32224	0.5
96.11477	0.5
96.96023	1.8
98.19925	1.0
99.00888	0.6
101.02451	1.8
102.84049	0.6
108.02184	48.4
109.02358	0.7
109.02980	9.7
113.02433	1.7
116.92900	0.7
123.04510	1.0
125.02477	0.7
134.03723	0.8
135.02992	0.6
135.04556	0.9
139.11298	1.9
151.04063	0.8
151.85898	0.5
152.01163	89.1
153.01932	4.0
161.04625	0.8
163.04005	4.8
174.36156	0.6
175.03940	0.7
177.01941	0.7
179.03487	0.8
183.10233	1.8
207.02956	1.0
268.03830	1.0
269.04538	7.1
315.07370	1.5
382.03009	0.7
429.10400	12.6
430.10779	0.8
447.11566	5.5
463.62964	0.6
577.15582	5.5
613.21387	100.0
614.21698	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	613.1928
Annotation	Arborside A
Peak:m/z	Relative Intensity
50.22085	1.0
55.01877	1.6
59.01384	42.1
69.03453	1.0
69.25298	5.8
69.25698	2.0
71.01017	1.6
71.01386	17.0
72.99303	1.6
73.02952	21.4
78.66422	0.8
83.01417	5.5
85.02513	0.9
85.02935	4.9
85.18891	0.8
87.00892	1.1
89.02445	4.3
93.89211	0.8
95.01409	1.9
96.96057	1.6
99.00901	1.5
101.02451	15.6
113.02441	3.8
119.03497	1.2
121.02956	2.4
125.02399	1.4
130.04248	1.1
133.02969	1.2
137.02435	1.2
145.03033	1.0
145.06630	1.1
149.02460	1.7
150.03241	5.6
157.06557	3.5
158.03693	1.4
159.04532	2.8
161.02460	17.0
161.04582	1.9
163.00369	1.1
165.01974	1.5
165.05605	5.3
173.06085	4.1
175.04013	1.5
176.04832	2.1
179.03702	0.9
180.04228	1.0
181.05090	1.3
187.04007	2.3
188.04762	2.5
189.05606	1.3
195.06639	3.3
201.05612	8.4
215.03651	0.9
216.04231	4.1
217.05116	5.7
219.06779	0.9
335.08926	0.9
337.06885	1.2
344.90192	1.0
351.08569	2.5
361.07147	6.9
363.08563	3.1
372.08539	1.0
376.09256	3.4
377.10416	1.3
379.07947	1.2
391.11899	20.6
391.60898	0.8
392.12213	1.5
393.13611	4.6
394.10495	2.1
401.89642	0.9
408.12085	2.6
409.12973	14.2
451.13873	2.4
553.17157	13.6
554.17590	1.5
565.20905	2.5
571.18127	10.1
583.14636	1.0
613.19257	100.0
614.19714	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	613.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03453	1.3
58.00592	1.4
59.01387	49.4
60.01709	0.7
61.98828	2.4
71.01010	1.6
71.01387	24.5
71.55305	1.1
72.99297	1.5
73.02953	24.0
75.00867	1.0
75.20699	0.8
83.01390	6.4
85.02952	7.0
87.00877	2.1
88.98815	0.9
89.02462	7.0
95.01387	2.0
96.96016	7.7
97.02952	1.0
99.00893	2.3
101.02452	18.2
101.03810	0.9
111.28075	0.9
113.02466	7.3
113.75213	0.7
117.03455	1.1
119.03519	1.5
121.02975	2.3
122.74458	0.9
123.00883	1.1
123.04508	0.7
125.02457	1.9
130.04265	1.0
131.03528	1.2
133.02960	4.0
135.08167	1.2
137.02417	1.2
145.02975	1.6
149.02441	1.4
149.04514	1.0
157.06633	1.2
159.04501	2.7
161.02461	30.7
161.04579	2.7
162.02956	1.3
163.00378	3.2
163.07666	0.9
172.05305	1.0
173.06094	6.8
175.03990	2.2
176.04822	4.1
177.02045	0.9
187.00365	2.4
189.02049	0.9
189.05605	1.1
191.07117	1.1
201.05577	2.9
216.04083	1.1
217.05070	3.1
219.06535	1.2
239.07063	1.1
255.03020	1.4
284.03189	1.6
285.04034	5.4
291.06866	0.8
299.10382	3.3
305.08179	1.0
308.03546	0.8
317.08127	1.4
320.95325	0.9
321.03781	1.2
325.06952	1.0
333.07645	1.5
338.07825	1.2
351.08777	2.3
361.07129	6.8
362.07513	1.0
363.08633	2.8
375.27530	1.6
376.09573	4.2
377.10406	1.1
379.08203	2.8
383.11499	1.0
391.11957	31.1
392.12183	2.3
393.09280	1.4
393.13712	2.2
394.10608	1.5
408.12042	3.4
409.12964	9.9
481.31650	2.3
553.17200	15.1
554.17493	1.8
571.09406	1.2
571.18323	18.6
572.18774	1.3
584.83167	0.8
598.16681	1.6
613.19257	100.0
613.35724	4.0
614.19537	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	613.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57773	0.9
54.13460	1.0
59.01384	1.7
61.98822	3.6
64.11945	1.2
69.86378	4.3
69.86804	2.3
86.97264	1.1
96.96024	6.9
98.00513	1.0
98.95594	4.1
107.05046	3.8
116.92827	1.2
123.00869	1.2
123.04565	1.3
157.06616	4.4
161.54335	1.4
163.00409	1.8
173.12245	1.2
175.07635	9.0
201.05511	5.6
215.03540	1.8
223.07623	1.7
224.08054	1.8
225.09283	2.1
237.09245	2.7
262.06339	1.4
277.08673	2.5
293.08133	2.7
295.17108	3.0
305.08221	2.8
321.07693	8.9
322.08194	1.5
323.05566	1.5
339.15952	1.6
347.19388	1.4
349.07193	30.4
350.07455	1.7
351.05078	1.5
363.08853	4.5
364.09503	11.0
375.08804	1.6
379.11902	100.0
380.12213	9.7
381.09790	2.4
408.19028	2.6
409.19562	2.0
583.16022	11.4
584.16272	1.6
595.23657	1.9
613.24060	8.7
629.16998	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	611.3743
Annotation	3'-Dehydrouriolide
Peak:m/z	Relative Intensity
51.18213	1.2
56.43577	1.3
57.99895	1.3
71.54922	1.7
80.96531	2.4
81.40604	1.3
93.03459	1.4
107.62389	1.3
117.09518	1.3
119.05046	4.2
150.03287	2.4
158.38319	1.4
161.02481	2.6
163.04047	2.4
175.03995	3.6
183.49384	1.4
203.07130	4.0
204.62054	1.4
223.07677	6.0
225.09258	3.5
236.02747	1.5
237.09349	2.4
277.12341	5.0
290.42444	1.4
295.17059	6.0
295.20456	2.0
299.16583	2.1
303.16031	2.7
321.11563	1.4
339.16006	9.7
347.20233	3.3
365.20822	1.6
377.21442	2.2
413.17941	3.6
505.33344	23.4
547.36639	2.2
549.37506	5.9
565.37109	3.7
567.38434	9.4
575.33777	10.0
593.36395	26.0
594.36914	4.1
611.37433	100.0
612.37836	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	613.087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34395	0.2
59.01381	0.4
61.98806	0.3
65.43308	0.2
69.34431	1.4
71.01368	0.3
79.95741	3.3
90.57568	0.2
96.96022	100.0
114.93436	0.4
132.21268	0.2
138.02235	0.2
216.67285	0.2
252.04292	0.3
267.06702	0.8
297.19070	0.2
425.69885	0.2
484.22424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27569	4.0
63.86988	4.5
71.54615	5.5
117.98279	4.1
119.05029	6.6
175.03926	5.2
203.07040	5.5
223.07607	7.6
225.09296	10.3
277.12344	13.9
295.16937	14.1
315.16040	11.9
321.11542	9.8
339.16003	29.4
345.18723	5.8
365.16748	4.3
505.33685	10.9
555.40240	5.1
567.38348	8.0
575.33771	18.8
576.34241	5.4
593.36383	15.3
611.37451	100.0
612.37646	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	611.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98829	1.2
67.01881	0.6
69.41908	2.1
69.42326	1.8
71.01390	1.1
78.95925	3.3
79.95735	2.7
85.71794	0.5
93.79152	0.5
96.96021	100.0
96.96896	3.5
106.72861	0.5
108.02197	0.6
113.02482	0.6
135.04544	0.7
151.04105	0.6
158.44510	0.5
167.03468	0.9
201.35350	0.6
225.09187	0.6
237.09348	1.6
239.10576	0.6
241.12364	0.7
277.21844	1.5
351.06052	1.1
355.15570	0.9
356.15695	0.7
407.18546	1.9
527.28448	1.0
529.29370	1.5
534.12531	0.6
611.14423	0.7
611.23309	2.3
611.34015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35877	0.6
59.01378	1.4
61.98829	1.3
62.91379	0.6
67.01897	5.6
71.55404	0.8
78.95914	2.1
79.95728	3.4
80.73188	0.7
91.98717	0.7
94.29720	0.7
96.96021	100.0
96.96900	3.3
108.02237	0.9
135.04523	0.9
139.63557	0.6
158.03761	4.9
159.04433	1.3
163.00424	1.1
167.03517	0.8
170.29472	0.6
172.05304	1.6
175.07599	1.0
178.42690	0.7
191.08527	0.7
195.08087	0.7
202.02696	1.5
211.07663	3.5
223.07671	22.9
224.08395	4.4
225.09242	3.1
226.09872	2.1
235.07671	3.9
237.09227	15.4
241.12386	3.3
249.09145	1.8
256.07385	1.3
261.09283	1.3
263.10809	2.4
275.10843	2.3
277.21802	1.5
280.14789	0.7
289.08771	0.9
298.15741	1.8
342.14709	1.4
343.17310	0.7
345.18594	13.9
345.22467	1.2
346.18777	0.9
351.06070	0.9
355.15601	0.9
357.17166	0.9
362.82260	0.7
363.19656	10.7
389.21246	1.1
407.18661	34.9
408.19067	4.0
409.20111	1.2
415.19162	1.4
433.20145	16.7
434.20724	2.0
575.30341	1.0
611.23065	23.1
611.35730	5.1
612.23334	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	611.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30075	2.8
53.68749	2.9
55.65296	2.6
57.03454	3.2
58.70144	2.7
59.01388	93.3
59.14848	2.9
69.54570	5.0
69.54980	12.3
70.18543	2.4
71.01389	46.8
72.99321	6.5
73.02962	2.9
75.00900	5.8
81.85520	2.6
83.01397	4.9
85.02970	10.5
87.00876	6.9
88.98814	12.8
89.02448	41.3
95.01402	6.2
96.95988	4.1
98.20680	3.1
99.04534	23.7
101.02467	30.4
113.02465	19.2
119.03513	10.9
135.04494	7.8
136.67590	2.6
151.00389	8.3
161.04631	3.3
179.05682	5.9
189.12801	7.6
196.12201	3.3
207.13918	35.8
209.11896	7.2
223.06090	4.8
225.07779	4.8
225.11298	4.6
242.45537	2.8
251.10431	6.2
251.12898	78.8
252.13242	5.1
269.13928	13.0
285.04169	3.6
287.05414	6.2
322.01520	3.7
431.19223	100.0
432.19550	7.0
449.10382	6.0
449.20181	24.2
479.24899	4.0
483.26257	3.0
611.15906	14.3
611.25818	76.1
612.26355	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	611.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24873	0.9
55.01872	1.1
55.02506	1.0
58.00597	4.1
59.01387	75.7
61.50408	0.8
71.01388	40.4
72.99305	2.7
83.01400	1.8
85.02969	8.9
87.00926	2.4
87.68900	0.9
89.02452	31.6
90.47102	1.0
93.03467	1.8
95.01378	3.8
99.03928	1.3
99.04536	24.2
101.02453	20.1
105.51117	0.9
111.04550	1.4
113.01707	1.5
113.02461	14.4
119.03507	10.9
121.06587	1.5
122.18189	1.0
123.04573	1.8
137.02481	4.7
161.04613	1.1
167.03464	1.2
179.05612	3.9
189.12817	7.1
207.13911	40.3
208.14221	2.8
209.11885	1.4
218.05841	0.9
219.03020	1.2
232.34270	0.9
233.11922	1.2
251.12903	89.0
252.13268	5.0
266.67410	1.0
269.13937	3.3
387.20084	1.8
395.01706	1.1
431.19241	100.0
432.19495	10.1
449.20435	5.3
611.17065	3.5
611.25513	86.4
612.25879	11.9
614.26379	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96553	0.7
59.01360	0.9
61.98849	1.3
69.34373	5.0
70.02840	0.7
87.04493	0.6
96.96012	1.5
99.07914	0.8
107.05038	13.4
108.02158	1.1
119.05002	0.8
120.47292	0.7
121.03005	0.9
123.04494	0.8
135.04536	41.6
136.04872	1.5
149.06090	1.1
157.06622	3.6
159.04483	1.4
165.05663	0.8
175.07602	1.2
183.07973	0.8
185.06026	0.9
199.07625	1.0
201.05606	2.2
225.09190	12.3
226.10005	55.4
227.07133	6.6
227.10399	4.3
237.09193	1.5
239.10745	1.1
241.12358	100.0
242.12715	6.3
255.06645	42.2
255.10526	1.1
256.07016	2.7
267.13879	2.2
269.08224	3.5
270.08884	1.1
279.13708	0.7
283.09814	1.2
285.11423	0.9
293.15414	6.6
309.15048	1.1
310.15353	0.7
311.16534	15.1
312.16797	2.0
328.16321	1.3
355.15530	99.4
356.15811	8.8
363.19601	1.1
374.17096	0.9
387.19635	1.5
388.19977	2.1
389.20288	2.3
406.90851	0.8
407.18710	2.6
409.20114	1.7
414.17294	0.8
415.18185	1.3
432.18845	1.0
433.19684	1.5
440.29242	0.8
489.18515	1.1
567.23718	1.1
593.21234	0.8
610.34814	2.2
611.22937	72.2
611.34662	6.2
612.23267	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	611.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07849	2.3
52.42257	2.7
54.91738	2.4
55.01883	2.5
57.03418	2.8
59.01375	4.1
61.98829	5.8
67.01897	13.7
71.55124	4.4
83.05021	3.7
89.50952	2.2
93.03423	2.6
94.14347	2.2
96.95992	3.4
108.02179	7.3
109.02979	3.4
109.51734	2.2
116.35204	2.2
121.02953	4.9
121.06598	2.5
123.00872	2.4
123.04513	4.5
128.54506	2.1
135.00955	2.7
135.04532	4.9
157.06592	2.7
158.03743	22.9
159.04471	4.6
159.08157	2.6
163.00352	6.0
167.03517	8.3
168.71628	3.0
172.05304	8.1
175.04245	2.7
179.08722	3.9
180.90898	2.7
193.10202	4.8
202.02753	11.6
211.07701	14.7
223.07678	66.0
224.08379	12.9
225.09190	11.8
226.09956	8.7
227.10368	5.0
235.07658	17.8
237.09190	46.8
239.10678	6.5
241.12349	14.0
242.12651	6.1
249.09245	8.3
255.19804	7.0
261.09146	6.1
263.10651	13.0
275.07779	2.4
275.10831	9.3
280.14938	2.7
289.08716	4.1
293.08276	2.9
293.15570	3.3
298.15717	5.3
307.09753	3.6
342.14905	5.9
345.18643	39.4
346.19016	4.3
355.15472	6.2
356.15744	8.0
363.19708	39.3
364.19855	3.6
371.20148	4.1
373.16461	4.2
389.21069	7.8
391.18509	4.3
407.18604	100.0
408.19064	8.3
415.19037	6.7
425.19513	3.0
433.20187	89.7
434.20505	12.2
575.30042	4.2
593.21460	3.6
610.34583	5.4
611.22821	99.5
611.35236	30.8
612.22797	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	611.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33109	1.8
51.18481	1.6
53.30431	1.6
59.01389	2.2
61.98830	5.8
69.34173	14.3
74.54475	1.9
78.76625	1.5
80.02668	2.8
81.03394	1.6
93.03458	1.9
93.76793	1.6
95.01416	2.1
96.96011	3.5
108.02180	31.5
112.41324	1.6
114.24947	1.7
123.00911	1.9
123.04541	20.2
135.04520	3.4
136.01665	2.6
143.05037	1.9
148.01683	4.3
151.04024	16.8
158.03702	4.5
159.04503	6.4
160.05309	2.6
163.00368	9.8
165.05554	3.1
167.03503	4.2
170.03737	2.6
171.04492	2.9
172.21933	2.0
177.01967	2.3
179.03517	4.1
191.03365	1.9
192.00644	3.5
195.03004	15.4
197.06030	2.1
199.07672	1.9
203.03394	4.6
207.02960	5.8
211.07719	4.5
213.09235	9.8
223.07602	7.4
224.08182	2.0
225.09215	5.7
226.09671	3.8
232.81866	1.8
234.06651	2.6
235.07645	5.9
236.08437	3.4
239.07112	6.3
240.07918	6.0
241.12317	4.8
247.07715	7.1
248.08426	19.6
249.09209	8.9
255.06625	2.1
257.08051	3.0
259.07806	2.0
261.09283	3.2
263.07114	3.8
264.07846	3.5
278.05960	3.1
281.15515	2.9
282.16217	2.9
283.17038	11.5
287.10712	2.6
289.12488	2.6
295.17026	3.6
301.08701	2.0
301.14587	3.2
302.12936	2.6
304.10648	1.9
309.15012	10.2
317.11691	2.0
319.06165	2.1
327.10287	2.8
327.11713	1.8
327.16013	32.3
328.16306	3.3
339.16003	9.0
340.16388	3.8
341.13644	2.7
347.20193	7.6
355.15488	5.9
359.20087	5.2
371.20206	41.1
372.20349	4.9
373.17456	2.4
373.21783	7.1
386.18567	2.6
387.19656	15.0
391.19101	6.8
399.19693	9.0
403.19110	3.5
407.18744	3.0
413.17514	7.2
415.19128	44.6
416.19748	2.1
417.20795	3.8
425.19153	1.9
431.18655	34.8
432.19080	5.4
433.20175	6.0
443.18600	3.2
461.19888	3.2
505.18259	10.9
521.23267	4.3
523.25000	6.1
530.96271	1.7
549.22772	13.6
567.23651	9.1
593.21973	15.6
611.22937	100.0
611.35199	7.1
612.22986	11.3
633.40881	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	611.229
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59173	1.4
80.02678	3.2
86.03760	1.6
107.01395	3.9
108.01475	3.3
108.02180	51.9
117.37554	1.6
117.44056	1.6
123.04529	36.8
124.55916	1.8
135.00879	2.0
136.01608	5.7
136.59081	1.5
151.02904	3.3
151.04028	39.9
151.05188	1.5
159.04507	2.1
163.00389	8.2
167.03506	4.3
171.04480	2.1
171.93358	1.9
177.12799	1.7
179.03482	3.8
192.00603	4.7
195.03004	35.4
207.02931	5.6
210.06880	2.0
211.07640	2.1
213.09195	2.0
223.07666	13.2
224.08279	2.4
225.09213	2.8
234.06726	2.3
235.07590	6.1
239.07088	1.9
240.07896	6.6
247.07634	8.2
248.04646	1.9
248.08400	29.7
249.09167	16.2
250.06348	2.8
261.09143	3.1
263.07187	3.2
264.07837	3.2
265.95276	1.8
274.13214	1.6
275.07291	2.1
278.05634	2.1
283.17108	3.6
287.10712	6.1
289.12421	2.5
291.06766	2.6
299.10785	1.9
301.12314	2.4
302.13055	2.1
309.15009	12.4
317.11938	3.2
327.10248	2.2
327.16046	27.1
328.16266	2.0
347.20251	11.5
359.20123	6.1
371.20184	77.3
372.20541	8.2
373.10721	2.0
373.17789	3.7
373.22055	3.0
377.87048	1.7
387.19687	21.2
391.19110	9.8
397.17664	2.6
399.19543	4.6
403.19141	4.0
413.17487	8.6
415.19135	100.0
416.19522	9.6
430.17459	4.1
431.18671	27.4
432.18607	5.1
443.18591	2.6
452.96582	1.8
505.18484	4.3
512.21765	2.2
521.23145	3.4
549.22803	8.9
567.23804	4.6
593.21948	13.0
611.22858	86.9
612.23279	13.8
639.73389	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	611.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60877	0.9
57.03460	14.4
59.01373	4.2
63.49562	0.8
65.00326	2.1
69.03447	1.2
70.71363	2.4
71.01383	3.1
73.02950	1.2
81.03463	1.6
83.01381	6.7
85.02950	1.0
89.02457	1.3
93.03445	2.9
95.01382	2.1
96.96003	3.5
97.02979	1.3
101.02449	1.0
107.01385	3.9
107.05045	3.0
109.02958	1.7
113.02476	1.1
119.05038	1.1
121.02953	1.1
123.00848	1.7
124.01646	3.5
125.02462	100.0
126.02798	2.1
133.02927	1.5
135.04526	1.1
139.04044	2.0
149.02454	8.7
151.00398	19.1
152.01181	10.4
153.01926	3.2
167.03484	1.9
172.05319	1.7
173.06065	4.1
175.03929	1.3
177.05643	2.6
178.99870	14.5
179.03368	1.4
180.00519	0.9
189.86684	1.0
198.07062	1.0
199.07512	1.5
200.04851	1.2
201.05615	3.0
215.07147	7.7
225.05576	1.4
239.03493	2.1
240.04454	1.7
241.05063	2.2
242.05838	1.9
243.06654	9.8
251.49232	1.1
258.05389	3.1
259.06168	20.1
267.02899	1.7
268.03809	25.3
269.04553	24.9
270.04883	1.7
283.06036	1.2
287.05591	3.6
295.14468	0.9
340.15930	1.0
378.29041	1.1
421.11469	43.3
422.11795	3.5
431.09875	25.5
432.10236	3.1
449.10931	93.7
450.11230	7.3
467.52811	1.0
611.16205	82.8
612.16504	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	611.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.0
61.98837	2.9
65.00338	2.2
69.65501	10.8
70.56992	1.8
71.01386	9.3
73.02972	3.5
81.03466	4.0
83.01407	6.0
85.02950	4.8
87.00847	2.2
89.02464	5.7
91.01876	1.9
93.03450	2.8
95.01414	2.7
96.96027	8.1
97.02972	7.1
99.00876	2.5
99.04565	2.5
101.02457	4.5
104.60962	1.7
105.03410	1.7
107.01384	9.7
107.05046	3.0
108.02238	2.8
109.02980	13.4
111.00859	2.0
111.04527	3.1
113.02447	8.0
115.00368	1.7
119.03568	2.4
119.05000	1.8
121.02975	8.3
123.00878	4.4
123.04533	7.3
125.02454	15.4
135.04538	98.5
136.04887	3.7
137.02438	12.8
139.04024	5.3
141.01895	2.0
145.02914	2.0
147.04477	2.5
149.02428	9.4
151.00327	10.0
151.04010	2.5
152.01237	2.7
155.03578	4.1
159.04532	4.2
161.02477	8.2
163.00412	7.6
163.04062	6.7
164.01143	2.1
165.01933	9.6
165.05605	3.0
167.03490	18.9
175.04071	2.3
177.01913	7.1
177.23248	1.8
179.03526	5.5
181.05037	2.0
191.03459	4.5
192.00529	2.1
193.01439	23.9
193.05107	3.1
195.02959	2.4
197.04625	4.9
203.03548	3.6
204.12456	2.2
205.01408	10.2
207.03009	7.9
209.04509	13.8
221.04546	3.9
223.02591	9.5
235.02495	47.3
239.05612	15.0
247.02406	3.0
249.03949	2.5
265.03531	30.4
265.92511	2.0
269.06705	5.0
277.03589	4.6
295.04645	7.0
322.82156	2.0
327.05167	2.2
329.06735	5.3
359.07666	4.2
371.07733	100.0
372.08176	9.1
383.07800	4.0
401.08774	86.1
402.09128	6.0
413.08734	8.2
431.09830	27.0
437.08652	2.4
443.09726	6.5
455.09882	4.7
473.10657	10.3
485.10806	2.7
491.11920	42.6
492.12393	3.9
503.11850	8.8
521.13055	8.2
583.97363	1.9
593.15210	4.1
611.15570	42.5
612.16687	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	611.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51602	0.7
57.03431	1.1
59.01381	8.6
61.98820	3.4
63.03980	0.7
65.00331	0.9
71.01379	3.9
71.22307	1.2
72.89017	0.8
72.99277	1.1
73.02948	1.0
75.00871	1.2
77.66417	0.8
78.95906	1.3
80.96520	4.4
82.16290	0.8
85.02956	2.6
89.02464	1.4
96.96012	4.8
101.02454	2.5
113.02438	2.7
121.02942	1.7
122.06070	1.1
123.00849	1.0
124.01686	7.4
125.02428	3.5
134.06134	1.0
136.10443	0.9
139.04047	2.4
150.03271	8.2
151.00380	0.9
152.07108	1.2
152.09912	1.0
157.08595	1.0
209.11813	2.4
213.09204	1.1
239.03528	1.1
242.02054	1.6
255.02934	2.1
256.03723	1.6
261.05417	1.7
267.02896	1.0
268.03665	1.4
270.01590	1.1
271.02505	1.1
273.05899	1.0
277.05042	1.8
282.02008	0.9
283.06021	2.2
285.04019	2.3
288.04324	1.4
289.05121	4.1
291.03006	1.1
291.06635	0.9
292.03656	1.5
293.21304	1.1
296.03430	1.5
298.04868	1.4
299.05417	1.5
300.03183	1.4
301.03036	1.6
302.03409	0.9
304.03717	2.0
305.04443	1.9
306.05371	1.1
307.06339	1.0
315.08774	3.0
316.03616	1.7
317.04495	1.6
319.06119	1.6
320.06876	1.7
332.03061	2.0
333.04028	2.0
345.04050	4.3
346.04785	3.2
347.05527	2.4
359.05679	1.6
361.03436	3.1
375.05432	1.4
376.05917	2.4
389.03058	5.1
390.03653	2.0
403.04697	6.0
404.05402	28.0
405.06226	4.2
419.07803	14.6
420.08023	1.0
431.04184	2.4
445.05597	2.2
535.06140	1.2
536.52167	0.9
537.08221	1.1
553.07867	2.2
553.60388	1.1
568.10217	4.5
583.12616	12.8
584.12494	1.1
596.09290	4.1
610.26996	0.9
611.11987	100.0
611.26392	10.4
612.12396	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	610.142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85336	0.5
57.03457	0.8
59.01387	6.9
61.98834	100.0
71.01394	2.4
72.99306	0.5
73.02984	0.8
75.00874	1.2
80.96503	0.6
83.01372	0.7
85.02956	1.7
89.02486	0.9
96.96042	1.0
101.02483	0.9
109.02955	0.5
113.02478	2.1
117.80665	0.5
197.06065	0.5
198.03282	0.6
213.05630	2.1
241.05167	1.4
254.02168	0.7
255.02893	0.8
269.04584	13.4
270.05115	0.5
271.02615	1.1
272.02963	0.6
284.06921	24.0
285.07257	1.1
299.09265	25.6
300.02789	0.6
300.09698	1.4
301.03448	1.4
359.28180	1.9
360.28238	1.0
474.08990	0.7
505.34085	0.7
523.34668	0.6
540.70007	0.5
609.35181	4.6
610.06195	0.6
610.14294	2.4
610.35571	3.1
611.34009	1.5
636.09589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16366	6.0
59.01377	8.0
61.98849	15.2
65.84160	5.8
71.02707	7.4
87.44429	6.7
96.86301	7.1
96.96021	100.0
103.20049	6.8
108.02216	7.4
113.86398	6.9
223.07652	16.2
224.75412	8.6
239.10831	7.2
251.07269	6.6
273.95706	7.1
277.08728	18.8
355.15573	11.1
363.19241	8.3
407.18555	32.8
431.18576	12.2
433.20261	19.8
593.21783	18.1
604.52167	8.1
610.35266	17.7
611.22852	21.7
611.35028	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	609.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
61.98854	0.8
71.01406	0.9
71.55081	0.9
95.05043	3.0
96.61261	0.7
97.06610	0.8
109.06606	1.2
121.10255	21.7
123.08188	0.9
125.09714	0.9
127.11319	2.1
135.04503	1.9
149.09785	1.1
151.00369	1.0
163.72224	0.7
167.03612	1.0
171.10297	61.3
172.10686	1.7
177.16484	1.4
183.10379	1.2
183.13902	3.8
185.11879	2.5
191.06870	1.0
197.11885	1.2
207.10060	2.2
211.13535	0.8
223.13185	0.9
226.10086	2.2
227.10808	1.7
227.26210	0.7
231.21144	5.5
235.17084	0.9
237.11127	0.8
241.12257	4.1
243.03004	1.4
255.03021	2.4
267.12274	1.1
269.04416	1.0
271.02563	4.3
271.09781	2.3
275.20184	80.0
276.20468	4.3
278.11362	9.8
279.11508	0.9
293.21262	100.0
294.21573	6.5
297.18396	2.0
300.02798	7.8
301.03482	3.4
313.17844	0.9
315.19421	55.6
316.19748	3.7
329.17435	1.8
331.12805	0.7
355.15631	4.6
356.15762	1.0
359.18460	10.6
360.10037	0.9
360.19025	1.1
487.29474	1.5
507.18277	0.9
538.32776	1.0
547.21161	0.9
551.17316	3.1
609.13696	8.1
609.22229	3.0
609.41498	89.6
610.14771	1.2
610.41870	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	609.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96826	0.7
57.03416	1.0
59.01382	3.9
61.51558	0.7
61.98812	1.0
71.05042	4.3
71.55151	1.2
75.51829	0.9
105.54564	0.8
108.02152	0.9
118.30266	0.9
123.00916	0.8
135.04520	1.8
141.91042	0.8
151.00375	0.8
165.05524	2.6
167.03499	1.6
205.01555	1.1
207.17647	0.6
209.15445	2.1
217.15862	0.8
223.15085	0.7
223.16982	4.4
225.09172	2.3
226.09984	1.3
231.21155	2.2
235.17065	34.9
236.17317	0.9
241.12332	2.7
255.03049	2.2
271.02533	3.7
275.20172	29.1
276.20456	1.7
293.21262	100.0
294.21637	6.6
295.17188	1.3
300.02740	6.0
301.03397	2.9
315.19437	1.6
339.16159	3.8
343.08456	1.1
355.15637	2.8
429.93347	0.8
432.73660	0.8
609.14545	7.1
609.41687	50.0
610.15497	1.7
610.42230	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
69.37684	1.5
69.38095	3.3
73.09512	0.6
75.57756	0.5
83.05029	0.7
95.05035	29.3
108.02178	0.6
123.04522	0.7
135.04491	1.3
150.03043	1.5
155.46503	0.6
165.60158	0.6
167.03461	1.0
167.10841	0.7
179.14423	1.1
195.13919	8.1
196.14677	0.9
205.12378	0.8
223.13388	7.9
226.09967	2.8
228.13547	1.0
231.21075	0.7
241.12376	3.2
246.12357	14.4
255.02950	1.7
256.13202	1.3
265.05045	0.6
271.02426	3.5
275.20239	4.6
278.11377	65.3
279.11618	2.9
293.21262	100.0
294.21603	5.7
300.02771	5.7
301.03461	2.2
315.19431	25.6
316.19867	2.0
332.25101	0.6
337.14001	0.6
355.15292	3.6
489.55719	0.7
572.32019	3.1
609.14795	7.2
609.25342	0.9
609.33838	2.2
609.42041	10.4
610.15356	1.1
610.42328	1.7
610.99847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
59.01386	100.0
61.98834	4.3
70.92290	2.5
71.01386	14.3
72.92506	1.0
73.02967	5.8
75.00851	1.6
78.98606	4.3
79.91204	1.0
79.95737	6.7
80.96526	40.2
83.01398	3.5
85.02951	10.4
87.00873	3.8
89.02458	2.2
94.98096	10.4
95.01411	1.9
96.96014	3.6
99.00906	2.0
101.02439	8.9
106.98122	1.6
109.02931	1.3
113.02472	7.7
121.02933	1.3
122.97596	3.9
125.02452	3.4
134.97572	4.1
136.45482	1.0
136.99149	1.8
148.99136	5.3
151.00409	3.0
152.98631	4.1
161.02483	1.4
161.04616	1.4
164.98598	5.5
178.99980	1.2
182.99677	1.1
199.03809	1.2
206.99673	1.3
225.00705	8.9
226.99158	1.3
243.02936	2.1
243.06668	1.6
247.24017	1.3
255.03030	5.0
271.02524	7.4
272.02985	1.4
299.25919	2.1
300.02762	16.6
301.03665	5.6
345.30115	3.3
359.28177	2.3
447.09546	1.4
489.34387	43.1
490.34778	6.0
507.35223	12.5
508.36035	1.9
549.36255	4.7
609.14716	15.9
609.25836	73.4
609.34827	9.3
610.14850	3.5
610.26251	11.4
610.35681	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	609.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01387	100.0
60.26127	0.8
61.98840	7.9
71.01387	11.5
71.55275	1.1
73.02961	2.9
75.00889	1.6
78.98603	2.5
79.90459	0.7
79.95746	3.5
80.96527	13.9
83.01398	1.1
85.02969	4.5
87.00893	1.2
89.02473	3.0
93.03503	0.8
94.98112	4.0
95.01404	1.2
96.96045	2.2
99.00885	1.3
101.02460	6.0
106.98125	0.9
113.02480	5.6
119.03564	1.0
121.02985	2.0
125.02528	1.6
126.51992	0.7
130.85135	0.8
134.97612	1.8
143.03513	1.1
148.99165	0.8
151.00388	2.8
152.98685	1.4
161.04552	1.9
164.98665	3.2
178.99983	1.1
179.05717	0.9
197.18384	0.9
206.99860	0.8
220.42244	0.8
225.00702	4.0
243.03049	1.4
255.02972	5.7
271.02481	10.0
272.03268	1.0
299.04611	1.2
300.02795	16.1
301.03476	7.3
345.30161	3.9
346.30438	0.9
489.34369	33.7
490.34543	3.9
507.35306	8.6
508.35895	1.0
549.36536	3.1
569.02948	0.8
609.14850	20.8
609.26135	27.3
609.33893	2.3
610.15082	2.9
610.26520	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	609.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28132	0.8
57.03442	4.0
58.00602	1.0
59.01382	25.8
61.98839	2.2
69.03452	1.0
69.19254	0.9
69.43313	5.2
71.01390	14.5
71.20615	0.9
72.99326	4.5
73.02944	4.0
75.00880	10.9
76.00240	0.9
80.96528	1.1
83.01398	2.1
85.02956	13.8
87.00883	5.6
88.87349	1.0
89.02448	2.2
93.30003	1.0
93.30575	0.8
95.01405	2.7
95.74490	1.0
96.96024	2.2
98.19953	2.1
99.00873	5.8
101.02456	3.6
101.13124	0.9
103.00410	1.4
109.46288	0.8
111.00890	1.7
113.02465	13.6
117.01941	1.9
125.02495	1.6
134.03737	0.8
137.02499	0.9
151.00343	1.3
160.01688	1.8
175.02504	1.3
175.04028	1.1
194.32715	1.0
194.55362	0.9
243.03047	1.5
249.06125	7.3
255.03029	2.9
269.04605	2.3
270.04858	3.3
271.02496	5.4
271.05203	1.7
283.42581	1.0
283.46429	1.0
285.03915	2.3
299.05511	0.9
300.02814	9.6
300.05936	1.0
301.03418	3.4
313.23682	5.6
333.79419	1.0
359.28030	51.2
360.28613	4.7
361.29462	1.0
371.23007	1.0
491.29010	1.3
505.33844	19.7
506.34174	2.2
521.33441	1.4
523.34717	4.2
591.33331	1.5
609.14801	13.7
609.34961	100.0
610.15234	1.3
610.35272	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	609.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08986	1.8
52.88079	1.6
55.01860	2.0
57.03453	4.3
59.01386	67.6
69.56687	8.9
71.01394	12.1
73.02941	3.0
83.01393	4.8
85.02960	8.6
87.00892	1.8
95.01360	3.1
98.20669	2.9
99.00935	2.9
101.02441	8.6
106.69699	1.8
112.01718	1.9
113.02481	6.8
125.02463	1.9
179.80099	1.9
185.15451	2.0
197.60962	1.4
201.75801	1.8
229.18114	4.7
232.38634	1.6
300.02710	2.6
359.28165	2.8
361.29623	7.5
493.82724	1.7
505.33908	100.0
506.34152	10.8
517.64661	1.8
523.34802	29.0
524.35345	2.1
565.35638	6.8
566.36194	2.3
609.14642	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	609.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.1
59.01386	75.7
62.15552	1.6
66.20423	1.8
68.13962	1.7
70.66710	5.6
71.01385	13.9
73.02950	4.4
83.01380	5.8
85.02968	10.7
89.02490	1.9
97.77652	1.7
99.00860	2.5
101.02436	8.3
109.07711	1.7
113.02441	9.2
173.11710	1.8
209.99962	1.8
210.57489	1.8
229.18056	2.9
271.02502	2.1
300.02856	4.9
310.67773	1.8
315.24808	2.1
327.03528	1.9
342.49243	1.8
361.02710	2.0
361.29623	11.5
475.32611	2.8
505.33878	100.0
506.34198	8.3
523.34814	31.7
565.35779	9.1
609.14532	4.6
609.30042	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	609.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94693	2.1
53.96288	1.8
57.03453	12.1
58.00595	2.8
59.01388	70.3
69.62925	3.5
69.63342	9.0
71.01394	18.8
72.86253	1.9
73.02949	6.6
75.00866	3.5
83.01385	4.6
85.02953	8.9
87.00864	2.4
88.68075	1.9
89.02437	5.0
93.03477	3.2
95.01394	4.5
101.02454	10.0
107.04980	3.2
113.02434	5.9
113.21053	2.2
129.13745	1.9
147.04530	2.2
149.06100	4.3
151.00305	2.5
161.04552	2.2
165.04178	3.7
165.05568	36.0
171.13908	5.5
173.11850	4.5
193.05042	4.8
255.02925	2.8
271.02509	8.9
272.03040	2.3
300.02881	9.4
301.03479	6.7
331.51645	2.3
341.09995	3.4
349.57117	2.4
353.10410	5.2
361.29669	9.5
481.15561	2.4
505.33829	100.0
506.33878	8.7
517.22064	2.0
523.34998	30.5
524.34918	3.6
565.36053	7.9
609.14453	14.0
610.15405	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	609.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.7
57.21338	2.0
59.01385	100.0
61.98834	2.6
69.03419	3.0
70.11906	7.8
71.01391	26.7
72.99274	2.4
73.02962	8.7
75.00888	3.3
76.59775	2.2
83.01416	5.3
85.02947	13.6
87.00904	5.1
88.98823	4.5
89.02468	8.5
95.01389	4.2
96.95992	2.6
97.02957	3.3
99.00890	5.6
101.02466	11.0
113.02462	11.8
125.02483	2.6
128.62778	2.0
131.03510	2.0
134.03720	7.3
135.03052	4.7
135.04073	3.3
138.01962	6.4
139.02405	2.1
143.03456	3.2
149.04477	3.0
161.04564	5.1
162.57237	2.2
192.48997	2.2
193.05063	8.4
194.05463	6.0
255.02979	4.3
271.02493	11.1
285.04001	3.5
300.02722	17.2
301.03519	8.0
361.29449	13.4
505.33829	95.9
506.33920	9.2
511.66995	3.0
523.34784	26.1
565.35907	3.6
609.14838	17.6
609.33514	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	609.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.03446	6.3
59.01387	97.9
62.24443	1.6
71.01389	14.1
73.02946	5.7
75.00898	2.0
78.43388	1.5
83.01392	3.2
85.02950	9.1
87.00912	2.4
89.02473	1.9
91.05829	1.5
95.01395	2.2
99.00893	1.6
101.02460	8.5
113.02486	7.5
143.10782	2.6
161.04520	1.8
177.29793	1.7
201.08780	1.7
229.18066	4.2
255.03088	2.0
271.02591	4.1
272.02844	1.6
299.05722	2.2
300.02765	9.3
301.03357	1.9
314.43521	1.7
315.25266	2.9
361.29526	10.5
505.33875	100.0
506.34189	9.8
523.34973	30.1
524.35071	2.6
565.36029	7.6
609.14923	9.0
610.15094	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	609.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.0
85.02975	0.5
98.20806	0.6
107.05040	1.3
108.02195	0.7
121.33447	0.4
122.23289	0.4
123.04570	0.5
135.04541	4.5
145.70816	0.4
146.71954	0.4
149.02399	0.6
149.06139	2.0
151.00365	0.5
152.74344	0.4
167.03500	1.7
189.09244	0.5
192.06494	0.4
224.08501	0.6
225.09229	31.2
226.09972	8.1
227.10577	0.7
229.59406	0.5
237.09221	8.3
239.10762	0.8
241.12370	11.1
242.12625	0.8
255.02969	1.0
267.10101	0.4
269.08261	0.7
271.02451	1.7
272.10358	0.7
281.08276	0.8
295.17062	41.5
296.17337	2.7
300.02887	2.3
301.03418	1.3
311.16345	0.6
339.16028	100.0
340.16290	6.7
355.15543	21.0
356.15900	1.3
396.58780	0.4
449.20105	0.6
487.43011	0.5
508.21478	0.5
523.23633	0.7
537.21545	0.5
591.33575	1.1
609.15363	2.2
609.26477	0.8
609.34650	7.2
610.34650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97503	1.4
55.01873	2.3
57.03440	3.2
59.01386	56.8
69.58089	6.5
69.58514	4.7
71.01015	2.6
71.01389	50.7
72.99305	3.7
73.02957	9.8
83.01392	5.8
85.02954	16.5
86.46930	1.4
87.00870	5.2
89.02456	42.6
95.01392	3.9
96.96022	2.2
99.00924	2.9
99.19847	1.7
101.02452	31.1
108.02179	5.8
109.02950	5.0
111.00892	3.1
113.02473	20.9
119.03511	18.5
121.02994	3.1
125.02473	2.5
131.03525	2.8
133.02979	11.1
135.04509	6.3
138.28217	1.6
143.03510	5.0
149.04472	3.0
151.00435	1.6
152.01176	8.7
159.03000	2.3
161.02477	3.6
161.04553	10.3
163.00293	1.7
163.04074	1.8
175.04053	5.4
179.03432	3.0
179.04007	2.4
179.05614	22.8
191.03450	1.8
193.01321	2.1
197.35519	1.6
199.04124	2.9
205.15553	1.6
225.05574	2.4
227.03497	1.9
228.94853	1.7
249.11209	1.7
255.03004	4.8
269.04782	1.8
271.02518	2.5
281.04446	2.2
283.02420	4.8
284.03223	7.4
285.04077	13.8
285.06967	2.4
297.03976	12.7
298.04807	19.7
299.02328	2.6
299.05609	19.1
300.02618	2.9
300.05728	1.7
301.03290	3.4
311.05612	3.8
312.06070	2.1
313.03568	14.7
322.85837	1.6
327.05115	77.1
328.05457	6.4
339.05206	8.8
353.06589	2.6
357.06235	25.8
358.06567	1.9
369.06161	11.8
381.06064	3.0
386.37759	1.8
387.20306	14.3
399.07111	6.2
429.17889	2.9
446.08792	2.3
447.09317	64.4
448.09808	4.6
489.10437	19.0
519.11243	5.7
533.52942	1.9
549.25586	69.4
550.25781	7.1
609.14630	100.0
609.24109	5.6
610.15002	12.3
635.00421	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2685
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
59.01385	4.6
61.98842	2.4
66.35304	0.5
71.01388	1.6
71.05013	1.2
71.55140	0.9
78.95911	63.0
83.05037	0.7
96.96022	2.3
96.96974	12.3
109.98181	0.5
113.02458	0.7
148.01680	0.7
150.98064	0.7
151.00378	1.1
152.99599	90.1
153.99980	1.0
171.00664	2.8
178.99886	0.9
208.06680	0.6
209.11835	1.2
223.00127	10.8
223.17059	2.0
235.17018	9.2
241.01207	24.3
242.01706	0.9
243.02809	0.8
243.94702	0.7
251.03494	1.0
255.03107	3.3
259.02179	1.4
271.02469	5.5
275.20209	8.7
293.21246	16.5
294.21799	0.8
295.02362	0.9
297.04178	0.9
298.04733	1.2
300.02774	10.1
301.03568	3.1
313.07150	1.4
315.04895	16.4
316.05331	0.7
333.05991	1.0
563.21423	0.7
609.14838	9.5
609.26764	100.0
610.16663	1.1
610.27081	11.1
616.49243	0.6
632.30536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73028	0.5
57.03443	0.6
59.01386	17.4
61.98845	1.1
63.96240	0.9
69.03461	0.7
71.01389	9.6
73.02946	2.1
75.00871	0.7
78.98595	5.3
79.95748	10.2
80.96526	55.4
81.03445	0.7
83.01395	1.0
83.05024	0.5
85.02957	4.1
87.00903	2.6
89.02446	1.0
93.03429	0.6
94.98100	13.9
95.01387	0.8
96.96019	2.6
96.96560	0.5
97.02964	1.1
98.19928	1.1
99.00855	1.3
101.02459	2.8
106.98120	2.6
112.47226	0.5
113.02483	3.1
117.43693	0.5
121.02971	0.9
122.97602	2.4
125.02454	2.6
127.04092	0.7
134.03728	0.8
134.97586	4.7
135.04535	0.6
136.99181	1.4
148.99138	4.5
151.00365	1.4
152.98680	3.9
161.04535	0.8
164.98636	11.0
193.04942	0.8
206.99709	1.7
225.00755	14.3
227.03305	0.8
243.03009	0.9
253.05205	0.7
255.02959	2.2
271.02530	4.2
281.04495	1.2
282.05362	1.0
296.03177	0.7
299.04498	2.5
300.02753	7.6
301.03415	3.0
361.23889	0.7
470.66647	0.5
489.33960	3.6
507.34830	1.0
523.18451	2.5
547.32782	0.6
567.33801	1.2
609.14874	6.3
609.25854	100.0
610.26227	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	609.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03437	1.2
59.01392	10.8
59.68821	0.8
62.09318	0.9
67.01864	1.5
68.21878	0.9
68.99802	3.4
69.03428	1.7
69.48861	6.7
69.69836	0.8
71.01392	13.6
72.99311	5.5
73.02952	1.5
75.00867	10.2
83.01385	2.2
85.02966	11.7
87.00862	4.5
87.07269	0.9
89.00341	0.9
89.02431	3.2
93.03463	1.3
94.50240	0.8
95.01398	5.1
96.95988	3.6
99.00890	13.3
101.02396	1.1
107.01376	2.8
109.02979	1.9
111.00864	2.3
111.04468	0.9
113.02454	12.1
115.00403	1.2
116.92840	2.8
117.01935	2.2
121.02971	12.9
123.00907	7.3
123.04485	1.2
125.02422	1.0
129.01918	2.7
133.02943	3.2
135.04453	1.7
137.02429	2.5
138.03232	10.2
139.00340	1.5
139.03967	2.8
149.04498	1.0
153.05576	15.8
157.01425	1.9
166.99788	4.1
175.02478	0.9
175.03928	1.5
177.01979	0.9
178.18350	0.9
181.01367	1.9
182.02225	14.2
183.03003	9.6
191.03467	1.1
195.02901	1.0
197.04572	44.8
198.04860	1.4
203.03468	1.2
231.05061	2.0
242.04289	1.1
249.06172	24.8
255.03058	1.3
256.05893	2.2
257.06619	2.8
267.07288	6.2
271.08353	4.2
273.36356	1.0
283.02533	1.6
285.03943	2.2
297.04044	1.0
298.04767	3.0
299.05377	1.4
311.05606	3.1
312.06256	2.9
313.07080	2.3
327.05038	4.0
339.04980	6.0
341.06525	2.4
344.05359	1.0
352.74152	1.0
353.08722	1.4
357.05692	1.4
369.06137	19.6
370.06473	1.5
381.05917	3.1
387.09061	1.1
399.07217	10.0
411.06946	1.8
429.10480	14.9
437.16562	1.1
447.11450	100.0
448.11786	6.3
471.10141	1.6
489.10385	14.2
490.10721	2.3
519.11578	4.8
591.13556	1.2
609.15039	42.5
610.15265	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	609.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01526	0.4
57.03443	1.2
58.00601	5.8
59.01386	12.4
61.98829	0.6
71.01383	4.0
72.99321	1.0
73.02956	1.1
73.66656	0.3
74.64738	0.4
75.00884	0.6
80.96516	0.5
83.01379	0.7
85.02956	2.3
87.00885	1.6
89.02467	0.7
93.03470	13.0
96.96059	0.7
98.20752	0.8
99.00864	1.0
101.02455	1.3
103.00363	2.5
107.05038	12.1
108.02166	0.6
112.98829	3.1
113.02463	1.5
117.03471	0.5
119.05048	5.3
121.02995	1.9
123.04565	0.9
125.02481	0.5
131.05031	1.6
133.02893	0.9
135.04572	1.9
137.06117	1.0
143.03513	0.4
145.02942	0.5
147.04517	5.3
149.06097	9.3
157.43825	0.4
163.00351	0.4
163.04051	2.8
165.05586	100.0
166.05919	3.6
175.03990	2.0
191.07161	0.5
193.05067	16.6
193.06831	0.9
194.05429	0.7
209.04607	1.6
219.03021	0.9
223.07724	0.5
229.52397	0.5
237.03967	4.5
239.07240	0.7
243.02962	0.5
250.06238	0.5
251.07144	1.5
255.03140	1.2
263.07178	0.8
264.07974	0.5
267.06595	4.4
271.02563	2.6
277.66211	0.4
278.09308	0.5
279.06650	2.8
282.08948	2.0
294.05475	0.8
294.08896	1.1
295.06134	1.4
297.07864	0.5
297.11200	0.6
300.02756	3.7
301.03412	1.8
309.07758	1.6
310.08554	0.6
322.08487	1.2
323.05667	3.3
326.07986	1.6
338.07950	3.1
341.10287	11.5
342.10556	0.8
353.10306	18.3
354.10651	1.5
359.28128	0.5
361.29654	1.1
371.11353	2.4
393.09866	0.9
394.87976	0.5
477.28561	0.7
491.28250	0.8
504.32831	3.4
505.33643	10.5
522.33752	0.8
523.34753	2.0
609.14606	4.3
609.24622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Rutine
Peak:m/z	Relative Intensity
63.02372	0.4
63.59949	0.5
65.00326	1.1
69.06425	0.4
83.01415	0.5
107.01407	1.7
108.02164	1.1
109.02961	1.0
115.18813	0.5
121.02985	1.4
125.02403	0.7
135.00813	0.6
144.88754	0.5
151.00371	9.6
152.00665	0.5
163.00417	1.5
164.01140	0.5
178.99837	6.5
199.04045	0.7
211.03957	1.0
226.02702	1.0
227.03482	2.0
229.05077	0.7
243.02960	7.0
244.03474	0.6
245.04681	0.5
254.02232	1.4
255.02991	18.7
256.03403	0.7
271.02484	40.2
272.02982	4.0
273.03964	1.2
283.02463	1.0
298.85803	0.5
299.01947	0.7
300.02765	95.2
301.03470	38.7
302.03915	2.7
320.58618	0.6
343.04468	0.6
393.11209	0.5
396.99213	0.5
506.26273	0.5
609.14618	100.0
610.14899	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	609.1463
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
52.30357	0.5
59.01375	2.1
69.64446	1.7
69.64849	1.4
70.59986	0.5
71.01385	1.7
72.66902	0.6
74.28978	0.5
79.01865	0.5
81.64400	0.5
89.02448	1.8
95.01406	0.7
98.20676	0.6
101.02464	0.5
109.02948	2.8
113.02468	0.6
119.05122	0.6
133.02965	10.8
134.03758	0.6
135.04524	1.9
147.04497	0.8
149.02435	0.8
151.03993	0.9
161.02467	0.6
161.06023	0.8
163.03944	1.2
165.01894	0.8
173.02524	0.7
174.03351	0.8
175.04001	3.1
177.01913	2.4
177.05585	0.8
179.03494	1.0
189.01921	0.8
189.05592	1.4
191.03503	1.3
201.01920	1.3
203.03436	1.7
205.01340	1.0
205.05098	0.8
205.41776	0.5
213.05576	0.9
217.05090	0.6
227.03552	0.9
227.07170	0.5
233.04672	0.7
239.03506	0.7
239.07237	1.1
241.05019	0.9
253.05089	1.1
255.03061	0.8
255.06715	0.7
263.70526	0.5
266.05801	0.7
267.06686	1.1
269.04718	1.0
273.69485	0.5
281.04517	0.8
283.06036	1.8
284.03488	0.8
285.07822	0.6
293.04572	0.8
295.06134	0.8
297.04108	3.1
298.04797	9.2
299.05627	4.0
309.04022	1.4
310.04709	1.1
311.05609	8.3
312.06375	11.3
313.07187	11.0
323.05637	2.6
324.06378	0.7
324.10394	0.6
325.03625	0.7
325.07141	1.7
327.05115	5.3
337.06854	0.7
338.04337	0.8
339.05130	14.6
340.05811	0.7
341.06644	9.2
344.05231	1.3
351.04968	1.5
353.06674	3.8
357.06131	2.2
369.06161	51.2
370.06546	4.3
371.07706	1.0
381.06235	5.8
383.07819	0.6
399.07227	35.8
400.07404	3.4
411.07230	3.9
413.08670	1.2
423.07739	0.9
429.08325	6.5
435.07040	0.9
441.08197	2.6
441.55453	0.6
453.08182	0.9
459.09326	0.8
471.09344	2.2
489.10397	40.6
490.10672	4.4
501.10263	0.9
519.03735	0.7
519.11475	12.4
520.11823	1.2
531.11224	1.0
591.13788	2.5
609.14648	100.0
610.14972	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	609.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.5
61.98822	1.2
64.53111	1.0
65.00314	1.5
70.08387	4.0
78.08507	1.0
78.95874	4.3
78.99535	0.9
80.96488	1.4
89.56979	0.9
95.01369	2.7
98.19984	1.4
121.02947	1.2
123.00903	5.9
124.01673	100.0
125.01965	2.1
139.04027	49.4
140.04326	1.7
148.01659	2.3
149.99593	8.4
151.00334	1.5
152.99513	3.8
161.02350	2.2
165.01959	8.5
168.90585	1.0
169.06561	1.5
178.99814	1.1
181.06496	1.0
183.02892	10.0
183.04459	1.8
185.06039	1.1
196.05191	1.0
197.02376	3.3
199.03970	1.0
209.05998	1.5
211.03836	3.2
213.01871	1.8
223.03712	1.0
224.04596	1.9
225.02065	5.6
225.05484	2.7
226.02620	2.0
227.03409	2.7
236.83734	0.9
239.03430	1.1
241.01183	3.6
243.02908	0.8
248.48334	1.0
251.03348	2.3
252.04100	1.2
253.01390	1.9
253.05051	6.9
254.02039	1.4
255.02991	6.7
269.00772	1.2
269.04364	2.0
271.02576	4.6
281.01422	1.5
281.04568	13.3
282.01730	1.6
283.02377	8.0
284.03104	1.9
293.21277	1.1
295.02533	1.1
296.03317	4.8
297.00262	3.7
297.03860	10.4
298.01041	1.3
300.02689	8.8
301.03363	3.5
311.01981	5.5
312.02744	7.6
313.03342	2.1
327.05200	3.3
329.04419	1.4
333.03809	1.7
355.06030	1.3
355.15598	1.7
370.04825	2.6
371.05289	3.0
384.06296	1.2
386.03983	1.1
398.04095	3.9
399.05014	6.7
400.05646	3.3
411.04916	1.7
420.94669	1.0
426.03711	5.1
427.04630	7.0
428.05362	35.8
429.05435	3.2
443.07742	27.8
444.07977	2.6
454.03333	43.7
454.98132	1.2
455.04007	19.4
456.04236	2.0
469.05676	52.3
470.06149	6.2
594.08063	7.0
609.10052	62.9
609.26520	7.9
610.10455	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26929	1.4
59.01383	19.6
61.98834	14.6
64.50732	1.4
65.00329	2.1
71.01392	6.0
71.05054	1.6
71.18782	1.3
71.41410	1.4
71.55242	3.0
72.09425	1.3
76.73243	1.4
78.91875	2.2
78.95908	39.0
80.96522	2.4
83.01419	1.3
83.05042	2.0
85.02953	3.3
87.00904	1.8
89.02447	4.1
93.03466	2.0
95.01435	1.6
96.96003	1.9
96.96979	4.4
101.02463	4.0
107.01398	2.3
108.02190	1.9
109.02953	2.7
113.02448	3.1
115.29906	1.4
119.05051	2.1
121.02988	6.4
123.00895	5.1
126.20224	1.7
133.02992	2.4
135.00871	2.3
137.02481	2.3
151.00383	8.0
152.99611	47.3
161.02478	1.5
163.00340	3.2
167.03574	2.1
167.04961	1.6
169.06575	1.8
171.00685	1.6
178.99867	4.0
183.04425	3.5
185.69221	1.6
195.04454	1.8
199.03947	3.5
208.32050	1.5
210.03337	2.3
211.03979	11.4
215.03305	1.7
223.00179	4.9
223.03996	2.3
223.07686	2.1
224.04829	1.7
225.05486	2.5
226.02747	3.8
226.06207	1.8
227.03482	9.3
235.17084	4.5
239.03552	4.6
241.01218	14.3
241.04991	2.4
241.59175	1.6
242.05779	1.5
243.03024	8.6
250.02731	2.2
251.03465	8.9
253.05013	1.9
254.02216	6.0
255.02989	58.2
256.03400	3.9
267.02893	2.7
268.03909	1.6
269.04562	5.9
270.05466	1.9
271.02487	38.5
272.03040	4.7
275.20172	3.2
282.01733	6.0
282.04959	1.7
283.02567	14.9
284.03137	1.9
285.04044	1.5
285.12509	2.2
293.21216	8.6
295.02524	10.7
296.03320	17.7
297.04010	36.2
297.07233	2.8
298.04840	100.0
299.02020	2.7
299.05182	6.8
300.02780	69.0
301.03543	28.2
309.04105	2.4
312.06451	5.2
313.07196	91.8
314.07571	5.4
315.04959	7.9
491.07541	2.1
563.06671	3.4
565.24725	2.8
577.11475	6.4
591.29419	2.5
594.07861	8.9
595.08276	2.2
608.37592	1.5
609.13751	67.4
609.26935	52.0
610.13586	7.3
610.26978	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	608.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.4
59.01386	13.8
59.79212	0.7
60.01709	1.0
61.98836	84.1
71.01394	6.9
71.55796	0.9
72.99320	0.9
73.02953	1.8
75.00893	1.4
83.01397	1.7
85.02977	4.1
87.00897	1.1
89.02453	1.8
95.01388	0.9
97.06552	1.0
99.00874	1.2
101.02438	2.8
101.67200	0.8
113.02473	3.8
138.14809	0.8
161.04485	1.0
165.05530	0.9
195.04547	1.8
211.04082	3.7
214.94089	0.7
223.04007	1.5
226.68137	0.8
236.04793	1.8
239.03491	14.5
240.03835	1.1
249.06291	1.1
255.03009	1.0
264.04346	1.4
267.00162	1.7
267.03003	31.5
267.07404	2.2
268.03375	2.1
269.04547	1.6
270.04852	2.2
271.02530	2.5
282.05356	90.2
283.05676	5.8
292.03723	0.9
295.06140	1.1
297.07687	100.0
298.08127	6.3
299.01935	3.3
300.02737	3.3
301.03439	1.4
304.07501	1.0
307.06107	5.5
309.07745	0.8
339.08832	2.1
375.23560	1.2
465.61365	0.9
483.75360	0.8
503.32425	5.2
504.32495	3.0
522.34259	0.9
563.33563	1.0
607.33350	5.4
608.14142	1.0
608.34119	4.8
609.14636	1.7
609.32086	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	607.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04590	0.6
55.01874	1.1
57.03450	2.9
58.16299	0.6
59.01384	100.0
60.01698	0.8
61.98832	4.0
69.03446	1.4
71.01387	18.8
71.05054	1.2
72.99306	1.8
73.02952	6.8
75.00880	2.2
80.96533	2.5
81.43321	0.6
81.83347	0.6
83.01387	3.9
85.02952	8.5
87.00903	1.7
88.98820	1.7
89.02453	4.1
94.09003	0.6
94.98092	0.7
95.01411	2.7
96.96021	4.7
97.02985	0.8
98.95580	0.7
99.00880	3.7
101.02445	10.5
108.02155	0.8
111.00831	0.9
113.02451	11.7
113.03174	1.1
118.96983	0.9
119.03493	1.0
121.02990	1.2
125.02499	1.6
129.76735	0.7
137.02431	1.3
143.03534	1.7
143.10809	1.5
149.04572	0.8
152.01189	0.7
158.68819	0.6
159.03084	0.8
161.04556	4.9
163.04037	1.0
175.03987	0.9
193.08772	0.8
213.18698	1.3
237.04956	0.8
241.01530	0.8
264.57266	0.6
267.07367	0.9
269.04724	1.1
271.02707	0.9
274.03366	0.8
297.04013	0.8
299.02017	1.7
311.25937	1.2
313.23877	1.3
341.27136	2.8
343.28760	2.9
357.26556	2.5
359.28027	39.2
360.28299	3.0
373.29803	0.9
375.23987	1.5
401.28986	0.9
405.63010	0.6
409.20383	0.8
455.17105	0.7
461.31439	1.0
475.27374	1.0
487.32825	31.2
488.33380	2.2
503.31805	3.0
505.34042	9.9
506.34497	1.3
521.33203	5.5
547.34540	1.7
563.34381	55.0
564.34888	7.4
607.14233	0.8
607.24567	3.2
607.33759	10.9
608.34747	1.3
628.60028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.6
59.01386	73.4
59.93342	1.9
66.99294	2.2
70.85384	3.7
71.01384	17.1
72.99339	1.9
73.02944	5.5
74.47220	1.7
83.01394	6.3
85.02959	13.5
89.02462	3.0
93.07101	5.4
95.01415	2.0
99.00890	3.3
101.02468	14.0
113.02468	10.1
117.03460	2.1
121.83144	2.1
143.03391	2.1
159.02948	2.8
160.01700	5.1
161.04533	5.6
167.03455	4.8
171.13879	5.2
175.04079	2.1
221.25975	2.0
268.03738	2.9
269.04562	45.0
270.04929	5.3
283.06088	3.0
315.18060	9.3
323.07648	3.9
333.19144	8.3
373.22260	3.0
503.32291	100.0
504.32745	10.5
521.33380	29.2
522.33722	3.6
563.33856	5.0
607.14185	11.1
607.32947	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	607.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.5
58.38083	2.0
59.01388	64.4
61.98829	5.5
69.82075	11.7
71.01385	15.3
73.02938	5.8
83.01415	6.7
85.02953	12.5
87.00943	2.0
93.72134	2.1
95.01416	2.7
98.20633	3.7
101.02477	10.6
101.75392	2.6
113.02441	8.2
117.43290	2.5
143.17027	2.3
161.04602	4.2
181.77388	2.2
185.15544	6.5
229.18098	9.2
230.58333	2.5
282.05164	2.4
297.07751	7.8
329.19800	3.6
359.28003	3.7
373.22354	10.8
391.23422	9.5
498.13348	2.5
503.32327	100.0
504.32706	12.9
521.33386	22.9
522.33875	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	607.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
59.01386	76.9
62.92779	2.2
65.62365	1.9
69.54211	16.3
71.01397	16.3
73.02953	5.1
76.44980	2.1
83.01379	6.1
85.02969	10.5
87.00871	2.6
93.03476	2.5
93.07142	2.8
99.00901	3.9
101.02435	15.9
111.00873	3.4
113.02486	10.1
119.94917	2.6
146.34795	2.1
161.04514	3.9
166.10707	2.3
229.18079	13.3
359.28076	3.0
373.22357	7.4
391.23367	8.4
411.27139	2.3
452.59293	2.4
503.32257	100.0
504.32648	9.9
521.33276	28.2
522.33398	2.8
563.34314	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	607.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.5
57.03456	5.3
59.01387	100.0
68.08392	1.0
69.03464	1.6
69.62128	4.2
69.62553	2.5
71.01393	20.4
72.99314	1.4
73.02962	6.3
75.00871	2.0
83.01392	5.4
85.02958	13.7
87.00899	3.1
88.98820	13.7
89.02460	4.5
93.07095	3.3
95.01384	1.8
96.96037	1.7
97.02948	1.8
97.68589	1.2
98.20631	2.1
99.00894	3.0
101.02453	14.1
111.00908	3.1
113.02470	9.8
125.02499	1.6
129.01976	1.2
143.10777	3.0
149.04575	4.3
159.02966	2.7
161.04575	5.9
161.28485	1.2
165.04042	1.2
188.82292	1.0
219.06593	1.5
229.18083	8.9
269.04535	3.6
359.28009	2.4
373.22278	9.6
391.23300	14.9
455.29962	1.5
485.31421	1.3
503.32318	89.9
504.32578	11.4
521.33368	29.3
522.33911	3.2
525.51514	1.2
563.34515	3.0
607.33966	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48064	1.5
50.69458	1.5
53.97715	1.7
55.01870	2.9
57.03450	4.9
59.01385	100.0
69.20857	7.6
69.21284	10.7
71.01385	26.5
73.02964	9.5
74.83561	1.7
80.27765	1.9
83.01389	6.8
85.02952	15.3
87.00888	4.4
87.90221	1.7
88.98814	1.9
89.02443	8.2
91.42428	1.7
93.07130	2.5
95.39725	1.9
96.96014	1.9
97.06572	2.4
98.16429	2.0
99.00880	3.8
101.02456	19.1
113.02475	15.9
115.04012	2.5
119.03596	2.2
123.46433	1.7
125.02461	1.9
134.23978	2.0
143.03491	2.1
149.04602	3.8
161.02527	2.4
161.04520	4.3
175.04005	2.1
177.31181	2.0
218.72290	1.8
229.18074	9.7
269.04611	19.8
270.04709	2.0
283.06171	2.3
309.40607	2.7
359.27997	6.9
373.22217	3.3
374.41241	2.1
391.23340	5.6
489.27368	2.5
503.32297	76.3
504.32593	7.0
521.33264	22.3
563.34424	5.3
607.14520	4.3
607.33344	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	607.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00549	2.7
57.01558	2.1
59.01389	29.5
68.79659	2.3
71.01388	13.9
73.02946	3.9
75.00870	2.7
85.02956	6.6
87.00893	6.2
88.94994	1.9
89.02441	11.2
96.96003	6.2
101.02446	8.6
103.94050	2.2
109.02962	3.6
110.15892	2.2
113.02448	5.6
119.03518	5.0
121.02920	3.8
125.02385	4.1
129.01913	2.4
147.04678	2.3
149.00638	2.6
149.04568	21.8
150.03159	5.4
159.04491	8.4
160.05283	22.3
161.04550	3.3
161.05994	6.5
163.03983	4.9
165.05766	2.8
171.42744	2.2
173.06111	3.5
175.07680	23.3
176.66174	2.8
177.05539	8.5
178.06325	7.6
193.08585	2.6
209.11844	19.9
219.90306	2.4
270.01697	4.2
299.01883	6.2
329.13965	100.0
330.14151	11.0
359.14890	5.0
383.07675	2.7
397.13589	5.8
403.13879	3.6
415.14655	2.8
427.19781	4.6
607.13141	5.7
607.26849	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	607.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.3
59.01376	9.9
65.00368	0.9
69.55225	5.1
71.01388	4.7
72.99289	0.9
73.02957	1.7
75.00895	1.3
75.03492	0.7
76.09007	0.8
82.95425	0.8
85.02946	1.7
89.02431	1.4
94.27821	0.7
96.96026	2.2
98.19975	1.5
101.02448	2.8
101.19527	0.7
102.69537	0.7
107.01385	1.0
113.02464	2.9
114.06082	0.7
117.95396	0.8
125.02460	1.1
133.05083	1.1
134.03674	1.1
135.04543	0.8
137.02457	1.4
138.03188	0.8
138.28996	0.7
149.04579	1.0
151.00366	3.1
152.01134	1.0
165.04021	1.8
166.02713	4.2
167.03499	1.8
175.04036	1.2
179.03416	0.7
181.05107	4.2
181.12381	0.9
183.04424	1.5
187.03966	0.7
201.53174	0.9
227.03403	0.9
255.03004	40.2
256.03604	5.0
268.03683	0.9
269.04602	5.0
281.04376	0.9
283.02496	17.4
283.05627	0.7
284.03268	73.5
285.03842	8.5
286.70343	0.9
297.04028	13.5
298.04831	7.9
299.05618	100.0
300.05945	4.4
308.70667	0.9
388.11749	2.2
403.14014	11.4
404.14322	0.9
443.09747	1.7
475.21707	1.3
607.16730	84.3
608.17328	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	607.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
57.03452	0.3
59.01386	5.2
61.82801	0.2
61.98825	0.4
63.02414	0.6
65.00333	0.3
69.43179	1.5
70.86385	0.2
71.01390	2.0
72.99310	0.4
73.02941	0.6
75.00886	0.4
80.96511	0.4
83.01401	0.5
85.02975	1.2
87.00880	0.4
89.02452	0.8
91.01894	0.5
96.96011	0.4
97.02901	0.2
98.20628	0.4
99.00869	0.4
99.28241	0.2
101.02451	1.0
105.03503	0.2
107.01396	0.8
109.06614	0.2
111.84262	0.2
113.02489	1.2
116.29642	0.2
123.04556	0.4
132.02200	1.6
133.02980	2.5
134.03802	1.0
135.00916	0.4
135.04532	0.5
149.04602	0.2
149.06052	0.3
151.00334	0.4
159.04567	0.9
160.01672	4.6
161.02335	0.3
161.04579	0.2
167.03503	0.3
169.06590	0.3
175.04022	3.4
176.04591	0.2
180.05815	0.6
181.06580	0.7
183.04501	0.8
193.05077	0.7
195.04588	0.3
196.05240	0.6
197.06071	0.5
199.04048	0.4
201.05609	0.9
209.11873	0.2
213.05527	0.4
221.28708	0.2
224.04805	0.9
225.05606	0.7
227.03647	0.3
231.66576	0.2
235.06152	0.2
241.04959	0.3
268.03970	0.2
269.04568	100.0
270.01907	0.2
270.04913	4.8
271.02579	0.2
283.02979	0.2
283.06223	0.3
295.08362	0.3
313.07193	0.4
337.09293	2.3
431.22495	0.2
474.27783	0.3
503.32349	2.1
521.32861	0.4
563.34277	0.5
601.52863	0.2
607.14191	0.6
607.23706	0.4
607.32965	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	605.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.3
59.01385	100.0
61.98832	3.2
62.66182	2.5
69.45168	18.7
71.01393	28.5
71.33005	2.2
71.77994	2.4
72.99278	3.4
73.02940	9.0
75.00873	6.1
79.95344	2.3
83.01375	7.9
85.02970	15.3
87.00914	4.5
89.02445	4.2
91.77539	2.5
93.07075	3.9
96.96017	9.9
99.00900	3.9
99.04517	4.4
100.96006	2.9
101.02443	17.8
104.27557	2.7
105.57398	2.8
113.02486	13.6
136.49277	2.5
149.04578	6.5
157.83467	2.5
161.04594	6.7
165.04068	7.6
209.15485	4.4
211.65349	3.0
227.16524	3.0
227.43852	3.1
261.63165	3.0
353.19574	6.6
371.20743	5.8
389.21832	2.8
473.24353	4.1
473.74390	2.9
501.30746	68.5
502.30978	6.7
519.31750	21.9
605.23895	5.2
605.31677	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	606.314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13591	0.2
51.40993	0.3
59.01390	1.0
61.98838	100.0
70.02145	1.1
76.86253	0.3
79.83217	0.2
80.96528	0.3
81.82784	0.3
98.20660	0.3
116.37276	0.3
119.92053	0.3
121.75177	0.3
123.14592	0.3
167.12184	0.3
251.33821	0.3
329.27383	0.3
341.33539	0.3
603.36993	0.4
606.37323	0.3
607.24597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33774	0.8
59.01371	2.5
61.98818	2.0
71.55083	1.1
78.95913	1.1
92.14909	1.0
96.96028	1.8
119.05036	1.5
132.02165	4.0
135.00883	1.1
147.04506	0.9
152.99677	1.5
160.61473	0.9
195.04564	2.1
208.05341	5.2
213.01859	1.3
223.04057	7.5
224.04727	3.1
225.01901	1.0
226.02640	0.9
236.00262	0.9
238.02725	1.4
241.01363	2.9
248.58067	1.0
251.03545	8.1
251.07237	1.1
252.04300	66.1
253.04613	3.0
254.02144	1.2
267.06638	100.0
268.07010	5.9
269.01108	0.8
282.01709	2.2
282.05130	1.4
297.00467	1.6
310.01236	5.0
314.64639	0.9
324.99814	3.4
325.03580	5.4
325.81885	1.0
388.82330	1.3
409.20261	0.9
456.03561	1.1
548.07489	1.8
607.08856	37.8
607.29138	5.5
608.09216	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	605.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33757	0.7
59.01363	1.9
59.86717	0.7
61.98816	3.5
62.51109	0.8
68.19637	0.8
68.99559	1.6
71.01390	8.0
71.55844	0.9
73.02962	1.7
78.98600	5.5
79.95732	10.0
80.96525	60.9
85.02962	2.8
87.00877	2.7
94.98092	14.4
96.96012	1.1
101.02444	1.6
106.98080	2.8
112.98593	0.8
122.97603	2.0
125.02441	2.4
134.97627	3.8
135.04436	1.3
136.99188	1.5
148.99159	5.1
152.98672	5.1
156.05954	0.8
164.98637	9.5
187.07628	1.0
203.07103	1.1
206.99654	1.6
225.00772	11.6
225.09276	1.7
226.09894	1.0
241.12317	1.8
242.21527	0.8
251.10640	0.9
257.08252	0.9
299.04294	1.5
305.24841	1.7
339.16156	1.8
353.13773	1.0
355.15512	2.1
605.30023	100.0
606.30316	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	605.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54351	2.9
80.98708	2.6
96.95985	3.4
149.57150	2.6
152.05150	2.8
317.71982	3.2
430.18048	9.0
445.20361	100.0
446.15463	3.2
446.20712	11.9
459.21945	20.6
460.22485	7.4
464.65298	3.1
504.21741	62.8
504.28989	3.0
505.21780	5.8
518.23126	23.5
519.24060	90.9
520.24530	7.8
573.25586	5.3
605.27728	68.2
606.27820	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	605.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13624	1.7
57.80769	1.6
59.35336	1.7
61.98835	3.4
71.54458	2.2
71.71793	1.8
73.01951	1.6
79.05538	1.9
96.26054	1.7
107.05087	8.8
110.72029	1.6
128.43735	1.7
133.06523	2.1
134.84456	1.7
135.04532	7.6
147.04510	1.8
157.06602	20.9
159.04529	7.0
161.06073	5.9
171.04567	1.9
173.06056	4.3
175.07646	8.8
185.06084	3.2
187.04141	1.8
187.07658	6.3
189.09250	3.1
201.05597	42.7
203.07121	3.8
212.08437	5.9
212.11554	1.8
213.09155	4.1
215.07185	9.7
215.10780	6.8
219.06578	10.9
223.07625	3.6
225.09299	7.4
226.09988	2.7
227.07214	3.5
229.05084	12.5
231.06676	2.7
237.09276	5.0
238.09984	4.5
239.10606	2.6
243.06670	9.4
251.10756	5.7
255.06665	24.7
263.10870	2.5
263.14636	1.7
291.13931	2.7
339.16064	5.0
349.21729	79.5
350.22214	7.8
361.21655	11.7
373.21631	3.1
375.23334	100.0
376.23331	9.0
389.21268	9.1
401.21432	3.3
549.83972	1.8
559.28528	2.5
563.28119	5.7
577.29279	3.0
587.28137	26.8
588.28485	3.0
605.29169	73.5
606.29523	13.0
606.38428	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	605.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	5.4
57.03436	6.8
58.13756	3.0
59.01389	100.0
61.30154	3.0
69.64184	21.4
71.01392	41.8
71.87642	3.2
73.02949	21.3
83.01397	7.6
85.02953	28.3
87.00892	20.2
89.02458	27.4
96.96024	11.4
99.00875	7.9
101.02456	36.5
113.02470	31.3
119.03514	7.2
123.43544	3.2
125.02468	6.8
128.90138	4.8
131.03458	9.5
143.03566	6.1
149.04549	22.2
161.04565	8.0
165.04068	9.3
179.05643	4.9
182.44199	3.3
224.72502	3.8
267.75955	3.7
307.48456	3.9
501.23419	7.9
519.24707	37.3
553.49182	3.4
554.28253	3.4
561.26160	5.4
605.24670	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	605.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45855	0.4
58.49450	0.5
59.01385	0.9
61.98825	2.3
67.24833	0.5
71.55016	0.7
178.54944	0.4
198.63969	0.5
221.94630	0.6
225.09254	1.6
237.09081	0.7
239.07091	0.9
253.08720	0.6
281.86349	0.5
283.07785	0.6
295.17053	1.8
315.95621	0.5
339.15918	2.8
353.14072	0.6
355.15359	0.5
381.82278	0.5
415.15399	0.7
416.16299	0.5
430.18143	1.2
441.41895	0.4
444.19266	0.6
457.20331	1.5
459.17831	2.7
469.20230	0.5
470.21628	0.7
471.18301	1.6
473.19843	4.4
474.19946	0.7
475.21414	0.7
485.19629	2.0
485.24283	1.4
486.20886	4.3
487.21579	1.3
496.19199	0.7
499.17374	2.6
500.18384	0.7
501.23938	3.0
502.20520	0.6
511.21408	2.1
513.19415	2.8
514.20160	7.9
517.18695	1.0
518.19641	1.6
529.22485	100.0
530.22864	12.6
530.31012	0.6
532.21155	2.1
533.21991	1.9
546.22931	0.5
561.25018	0.6
573.21179	0.8
605.23334	3.5
605.31976	1.4
606.23560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59581	1.5
55.01881	1.3
56.89982	1.1
57.03436	2.2
58.56761	1.2
59.01385	10.1
61.63375	1.0
67.01872	1.1
69.03452	1.5
69.71152	1.1
70.51754	3.3
71.01389	31.5
73.02949	2.5
73.12915	1.1
83.01379	3.9
83.28165	1.1
83.51632	1.2
85.02467	1.5
85.02956	22.1
87.00885	8.0
89.02456	8.3
95.01393	2.2
97.02936	2.6
101.02440	4.4
109.51946	1.1
111.00887	2.2
113.01734	1.7
113.02469	22.5
129.01900	1.1
131.03482	3.4
151.06131	17.9
155.03325	1.2
169.26669	1.0
173.04572	7.2
189.04144	1.3
192.27916	1.3
197.52061	1.0
201.04156	2.1
205.07071	1.9
240.89888	1.2
265.09277	2.3
317.08829	1.7
415.13861	1.6
529.17853	1.3
573.16663	2.8
594.83600	1.5
605.19366	100.0
606.19745	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	605.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
55.13049	1.0
57.03455	3.1
59.01383	21.0
67.01874	0.9
68.99815	3.9
69.03465	1.7
70.72327	2.4
71.01010	1.5
71.01389	21.7
72.99306	8.4
73.02959	4.2
75.00883	17.9
83.01381	3.6
85.02955	23.6
87.00883	9.8
89.02456	7.0
93.03463	1.9
94.44759	1.2
95.01415	6.1
95.01940	0.9
96.96030	11.2
97.02969	1.2
99.00883	15.5
101.02441	4.1
109.02946	1.7
111.00867	2.5
111.82047	1.1
113.01722	1.9
113.02462	27.4
115.00346	2.1
117.01961	2.8
117.03496	2.7
119.05026	1.4
125.02469	1.4
129.01944	3.1
131.03561	1.4
132.02054	1.1
133.02939	3.9
134.03757	67.3
135.04460	5.0
137.02425	4.3
139.00397	1.2
141.01984	1.2
145.02930	2.3
149.02448	1.4
149.06096	16.1
150.03195	1.7
157.01340	1.4
160.01682	8.0
161.02472	6.7
163.03984	2.5
165.05560	4.7
175.02510	2.7
175.04007	11.2
178.02719	12.3
179.03487	3.8
186.74757	1.3
193.05066	54.8
194.05516	1.5
195.06654	1.3
231.05113	1.8
249.06151	32.2
253.07109	2.4
267.07083	27.9
325.70444	1.2
381.11838	2.0
383.09311	1.1
411.09265	2.3
425.10925	17.0
436.32120	1.2
443.11890	100.0
444.12244	6.7
446.34094	1.2
485.12982	1.9
570.65002	1.3
605.17212	78.3
606.17621	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	605.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62826	1.8
57.03432	2.8
59.01386	28.2
68.99822	4.3
69.03448	2.7
69.22151	3.5
69.22552	14.3
71.01389	32.4
72.99312	8.6
73.02946	5.8
75.00880	20.4
85.02953	30.8
87.00891	9.0
89.02459	9.4
93.03474	1.9
95.01352	9.7
96.96030	10.6
99.00894	32.2
101.02431	6.1
103.00357	2.3
108.02204	2.7
109.02994	2.7
111.00857	2.3
113.02460	31.7
115.00336	1.9
117.01910	2.8
117.03462	5.0
119.05042	5.9
120.60809	1.8
133.01407	2.0
133.02979	4.3
134.03757	76.7
135.04501	6.7
137.02428	6.1
145.02965	4.0
148.05273	2.1
149.06096	13.9
150.03198	2.3
152.01132	6.0
157.01411	6.2
160.01649	12.2
161.02419	5.6
163.03951	4.1
175.02559	3.8
175.04016	20.6
178.02756	11.2
179.03549	3.0
193.05087	70.4
194.05428	1.9
209.08443	1.9
231.05092	4.4
235.42714	2.0
249.06140	30.5
253.07130	2.4
267.07040	41.5
328.37540	1.9
345.03714	1.7
425.10931	40.7
426.11176	3.1
443.11874	90.2
444.12354	4.9
605.17169	100.0
606.17407	10.5
629.05524	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.7
60.99302	10.5
61.98819	5.7
65.25003	3.9
67.95673	3.7
69.64031	21.7
71.01386	4.3
87.00869	4.9
88.00410	14.8
88.98818	64.9
89.02455	100.0
96.96023	5.4
116.31893	3.6
118.94376	4.0
148.90878	4.0
167.03471	6.4
168.03880	4.7
198.41754	4.4
277.21732	5.5
341.81311	4.4
406.62213	4.4
603.31714	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	603.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.2
59.01384	75.6
61.98823	5.8
69.87627	7.9
69.87994	3.3
71.01383	5.2
73.02946	3.2
83.05042	5.1
85.02937	3.4
88.49429	1.6
89.02446	2.6
95.82040	1.6
96.96015	7.5
101.02457	3.6
108.46490	1.7
110.98714	1.6
113.02438	3.6
116.97200	2.3
121.02952	4.2
165.05534	3.6
171.10252	6.3
174.95984	2.2
209.11838	100.0
210.12109	5.1
219.06471	2.0
227.12846	11.6
253.08769	2.3
269.04300	2.0
282.05215	1.8
285.03799	2.1
293.15573	2.5
296.03333	4.3
297.03873	2.4
297.78363	1.9
337.14615	2.1
445.09366	4.4
453.54208	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.4
61.98832	2.7
70.74866	5.6
70.75190	2.4
78.95921	2.9
93.53261	2.2
104.26096	2.8
107.05064	11.0
117.84109	2.1
123.00931	3.3
123.04511	2.8
124.01662	16.7
125.02460	2.4
135.04509	7.6
138.03247	3.6
139.04056	11.8
151.03932	2.7
156.86148	2.1
157.06526	2.7
161.02480	2.6
165.25850	2.2
181.05179	11.3
194.81482	2.5
211.07561	4.0
223.07706	3.3
225.09222	8.0
226.09917	5.5
237.09129	4.6
261.12787	5.3
264.58835	2.4
269.08234	11.7
279.13950	29.4
280.14136	3.7
281.08185	2.7
291.13849	5.2
305.11761	10.3
305.18958	3.4
323.12827	27.3
324.13394	3.2
331.20691	2.6
347.20029	5.0
349.14389	5.3
349.21719	27.6
361.21606	6.9
375.19696	30.4
387.19751	5.3
392.19833	5.5
393.20758	24.2
471.25180	5.3
485.19595	3.6
515.27795	8.5
524.24243	2.6
527.20685	3.8
541.25177	13.0
559.22937	5.7
567.27771	7.3
585.28589	98.8
586.28601	13.1
603.29651	100.0
604.30231	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	603.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99909	2.1
55.06738	1.9
58.92648	1.9
69.16945	3.4
69.17345	18.0
71.44093	1.8
79.05544	2.9
107.05043	8.6
110.02546	1.8
157.06595	25.3
158.03691	2.5
159.04521	5.9
171.08330	2.3
173.06174	2.7
175.07678	13.3
187.07727	3.5
199.07726	2.1
201.05577	31.5
203.07111	2.7
203.90181	2.0
209.06084	5.7
213.09213	2.1
215.07132	6.6
219.06589	15.5
223.07620	16.9
225.09134	2.2
227.07028	2.6
229.05058	13.8
231.06667	3.8
235.07651	10.8
236.08333	4.7
237.09227	4.6
243.06648	11.5
249.09258	15.5
250.09799	3.7
255.06673	19.1
261.09216	5.4
263.07095	3.2
263.10770	2.5
266.61230	2.0
277.12213	2.3
289.12360	3.2
309.20853	2.3
347.20172	61.3
348.20468	3.3
349.14389	2.5
359.20212	6.3
369.13364	6.1
371.20059	4.0
373.21747	100.0
374.22058	6.8
375.19632	12.9
387.19778	7.3
393.20569	3.0
397.12906	4.0
399.19791	2.8
459.95303	2.2
513.65698	2.3
561.26898	2.9
575.29462	2.5
585.26392	33.0
586.26752	5.0
603.27673	59.9
604.27844	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	603.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67444	0.2
57.03457	0.5
59.01380	3.5
61.98838	1.6
69.38428	1.2
69.38850	0.8
71.01384	1.8
73.02948	0.9
75.00867	0.7
78.95905	0.5
79.95739	2.9
80.51709	0.2
83.01371	0.3
85.02953	1.0
86.16890	0.3
87.00876	0.4
89.02460	1.1
92.30353	0.3
96.96018	100.0
98.20688	0.5
99.00887	0.5
99.04514	0.3
101.02478	1.5
105.12687	0.2
109.46190	0.2
109.55298	0.2
113.02454	1.3
119.03447	0.3
119.54396	0.2
124.12670	0.3
125.02467	1.1
126.90385	0.5
137.02441	0.6
138.05550	0.3
147.03020	0.3
149.04578	0.9
173.73984	0.3
175.02560	0.3
187.02490	0.5
191.05666	0.5
205.12373	0.7
321.65637	0.3
452.48682	0.3
603.23810	0.8
604.23065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	29.9
62.53492	5.2
70.62843	9.3
70.63186	5.5
96.96021	43.2
98.19959	6.9
113.02477	6.1
115.25641	5.5
138.01974	11.9
147.04492	9.3
181.61108	6.3
187.07687	6.8
207.10291	16.1
237.09142	9.7
238.09949	7.0
241.12213	7.2
253.12308	8.6
293.15460	18.7
301.80353	6.4
304.08920	5.5
306.32016	5.6
309.15018	12.5
311.16574	38.9
355.15546	100.0
356.15912	8.5
455.26361	7.1
465.87103	6.8
603.30573	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	603.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24458	3.1
53.50262	2.8
55.43776	2.6
55.69941	2.9
57.03468	3.5
59.01385	37.9
61.98830	10.1
62.24954	3.1
69.56345	2.7
70.55526	9.2
70.55902	6.2
71.01382	11.3
73.02967	4.3
85.02958	5.0
89.02471	5.7
95.01420	6.5
96.95992	8.9
113.02451	6.6
117.07097	3.2
122.11857	3.1
123.78795	3.8
137.02480	3.7
147.04463	4.6
183.58754	3.0
201.05580	4.1
207.10313	22.2
219.06651	15.6
237.09293	20.0
238.09966	4.2
253.12265	11.2
257.70615	3.4
269.04413	3.6
293.15424	15.7
293.61325	3.2
309.14896	13.7
311.16547	40.0
355.15506	100.0
356.15784	7.7
410.93024	3.6
445.73260	3.2
559.25568	4.9
603.32690	6.7
624.86810	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	602.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35364	0.8
54.27519	1.0
61.21526	1.0
61.98838	100.0
69.88251	2.0
69.88644	2.4
98.19983	1.0
104.43743	0.9
142.73672	1.0
150.76175	0.9
204.05162	1.0
410.91824	1.0
421.82275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87056	0.7
57.03455	1.2
59.01381	7.2
63.22063	0.6
67.05531	1.3
67.55146	0.6
69.03432	0.7
71.01386	5.0
71.54765	1.1
72.99319	1.5
73.02948	1.8
83.05034	0.9
85.02946	4.1
87.00902	0.9
89.02456	1.2
91.89614	0.7
94.62630	0.7
95.01391	1.4
96.96010	7.7
99.00885	1.5
101.02451	1.8
108.02185	49.7
109.02979	12.5
111.04520	8.1
113.02471	2.9
119.05035	1.3
121.02983	1.5
123.00908	0.8
123.04600	0.9
125.02461	0.8
126.55735	0.7
127.04027	1.3
129.05582	6.4
133.02948	0.9
135.04561	1.0
137.02455	3.0
145.02959	1.1
147.04500	0.7
149.02464	0.8
149.48349	0.7
151.04025	1.7
152.01167	100.0
153.01913	5.3
155.03517	5.4
161.02486	0.7
161.04620	1.3
163.04024	6.9
164.07198	0.9
173.04585	4.3
175.03868	0.8
177.01917	1.2
179.03532	1.6
181.05072	0.9
193.05147	1.1
207.03140	1.2
223.06128	1.0
265.07291	0.8
271.04599	0.8
315.07257	2.3
400.03122	0.9
429.10388	22.8
430.10510	2.0
447.11417	22.0
448.11661	1.6
489.12473	10.3
513.20734	0.9
554.97760	0.8
585.14526	17.2
586.14557	2.0
603.15662	87.9
604.16095	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	601.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44236	2.0
57.85473	1.8
59.01374	2.5
66.92363	2.0
69.53367	11.2
79.05544	2.3
98.20580	2.6
107.05030	5.8
114.36705	1.9
123.00942	2.7
124.01680	22.0
125.02425	3.1
126.69724	2.4
139.04025	9.3
175.07622	2.3
179.08650	2.4
223.07669	19.0
224.08418	2.3
225.09061	3.4
235.07666	5.7
236.08485	2.5
259.11227	2.5
263.07040	2.7
264.08038	3.1
275.10638	3.0
277.12320	15.6
289.12384	7.4
303.10321	6.8
315.10199	3.7
317.11923	3.4
321.11395	11.1
347.13168	2.3
347.20172	41.1
348.20816	3.1
359.20172	8.1
373.18094	14.9
385.18182	6.0
391.19141	15.2
427.15576	3.6
447.21930	2.0
455.15173	4.0
469.16183	3.8
470.17337	5.8
509.19943	4.7
511.24988	12.2
513.26459	12.9
539.24176	38.8
540.25116	5.9
555.27673	12.7
557.25549	15.4
565.25983	7.0
583.27002	100.0
584.27502	10.7
601.28180	61.6
601.38477	3.7
602.28217	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	601.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
61.98829	2.2
63.79160	0.8
70.77315	1.5
70.77650	1.2
77.00973	0.9
79.05573	0.8
81.03455	0.9
95.05041	0.8
96.96030	1.1
100.16734	0.7
107.05042	2.5
107.49087	0.9
108.02220	1.2
109.02957	2.8
115.67684	0.8
119.05033	1.5
121.02966	2.2
123.00899	3.0
134.03709	1.1
135.04553	2.8
137.02452	23.8
138.03273	5.4
147.04547	5.6
148.01628	1.2
149.06119	1.4
151.00424	1.3
151.03975	6.2
152.04784	5.8
153.05591	1.9
161.02438	1.7
161.06091	2.3
162.03210	1.8
163.00378	1.6
164.01193	1.2
164.04857	1.0
165.01950	10.0
166.02672	1.7
174.03200	2.5
175.04015	4.6
175.07623	7.0
177.01910	2.0
178.02725	2.0
179.03490	4.3
180.04318	4.6
183.08163	1.0
184.03767	2.1
187.03984	3.7
187.07564	2.2
192.04317	1.1
193.05013	1.0
194.05765	1.1
195.06631	2.6
201.09222	5.3
211.07654	1.6
223.07797	0.9
225.09248	2.4
226.09901	1.7
227.10924	1.0
229.08694	3.0
233.77348	0.8
237.09291	0.8
239.10872	4.3
251.07008	1.3
251.10777	2.5
252.07950	1.0
253.08804	4.1
256.07434	0.9
265.08688	2.8
278.09430	2.7
279.06714	1.3
279.10565	0.8
279.14017	2.4
291.13870	1.5
293.15445	2.4
297.14923	1.3
298.15833	1.1
301.12183	1.2
319.13287	2.7
321.14935	1.2
325.14383	1.3
334.79697	0.9
337.14542	1.1
345.18481	1.2
347.12863	2.9
349.21710	3.3
361.21786	10.7
363.23718	1.6
371.20056	1.4
375.23520	1.9
387.19711	2.4
389.21289	13.3
405.20868	3.2
410.25638	0.9
415.19473	1.8
418.72849	0.9
425.19470	1.2
498.05630	1.0
539.28137	1.9
557.28845	9.5
558.29785	1.0
583.27032	100.0
584.27466	10.1
601.28162	83.6
602.28564	11.3
615.27789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
61.10779	1.3
61.98826	3.7
69.44121	2.1
69.44445	9.7
71.01404	2.1
71.60310	1.3
73.02970	1.3
84.96533	1.4
87.00884	1.4
89.02462	1.8
96.96022	21.9
101.02424	1.4
102.08141	1.3
109.02985	1.3
113.02438	1.6
121.02906	1.4
122.03759	3.9
128.42114	1.3
134.75366	1.2
137.02454	4.1
149.02454	19.7
150.03250	51.6
151.03954	1.7
164.04752	6.1
165.01944	30.6
165.05588	48.4
166.02344	1.4
180.04292	26.4
181.04977	2.6
194.83154	1.1
195.06642	100.0
196.07024	3.1
243.08766	8.1
316.09641	1.4
331.11926	7.7
391.14005	18.5
421.15021	1.6
439.16098	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
57.03453	9.2
59.01387	42.3
61.98844	1.6
67.01885	1.9
69.34758	7.1
69.35183	4.3
71.01386	24.5
73.02960	17.0
83.01379	5.7
85.02951	7.0
87.00876	1.9
89.02442	6.6
95.01402	5.2
96.96011	8.3
98.19984	3.3
98.95571	3.1
99.00879	2.5
99.04530	4.0
101.02442	18.4
107.05030	10.2
113.02476	8.1
116.92841	4.6
117.03465	1.6
117.28227	1.4
120.45757	1.4
122.06173	2.0
123.00916	20.2
125.02448	2.4
133.02966	4.2
135.04543	29.9
137.02484	2.1
137.70917	1.4
138.03250	3.5
138.69063	1.3
143.03532	2.0
145.02966	1.6
148.01691	2.8
148.05324	24.5
149.02502	1.4
149.04503	2.3
157.06599	3.7
159.04462	2.0
161.02373	4.6
161.04532	4.4
162.01982	2.8
162.03252	50.8
163.00421	1.5
163.03806	2.0
163.07668	23.4
175.07652	100.0
176.01096	4.2
176.07968	4.3
177.05525	3.0
187.03978	1.5
189.01883	2.6
191.03531	2.6
193.08711	20.5
201.05524	6.2
205.78952	1.4
337.13004	26.4
338.12848	1.4
347.09232	3.9
349.11496	1.6
355.13980	25.8
364.09683	11.1
365.10184	3.4
379.11877	66.0
380.12045	6.9
381.13651	1.6
397.15231	19.3
457.17267	12.3
487.63211	1.7
499.18140	4.8
541.17224	13.2
542.17432	2.7
559.18414	8.5
569.16467	4.0
586.16901	6.3
601.19226	88.2
602.19202	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	601.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18408	10.1
57.03448	19.5
59.01385	73.7
61.98832	36.8
71.01387	24.7
71.55180	11.9
78.05804	12.2
96.96020	38.0
113.02451	12.9
121.02998	9.8
135.04504	17.0
141.67175	9.6
147.04536	13.0
177.00305	9.5
187.07559	12.7
208.18062	10.7
213.09206	21.3
233.50652	8.5
249.09132	18.2
251.10773	22.9
253.08926	9.4
261.12924	11.8
275.10751	12.4
291.13892	70.9
303.35205	9.1
305.11676	13.3
323.12936	36.4
353.13959	100.0
362.67059	10.1
385.20941	10.9
395.14584	9.8
464.02209	9.4
536.91162	11.3
601.31921	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	601.0276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36809	1.3
57.44842	1.3
59.01384	100.0
61.06103	1.1
66.88882	1.2
72.01355	1.6
77.19012	1.4
83.49592	1.2
86.41735	1.4
98.20810	2.7
115.02516	6.2
117.00422	6.7
117.35116	1.4
136.94038	2.7
151.14458	1.4
152.91843	2.2
157.03593	2.3
159.00182	3.1
159.01511	61.4
160.01649	4.3
174.99254	16.1
178.95088	1.8
194.92831	1.6
201.02553	24.8
202.02859	2.2
217.00319	55.9
259.01654	3.3
272.85388	12.0
274.85199	8.4
274.99384	2.7
279.52197	1.4
287.27719	1.6
287.84177	1.6
292.86057	2.1
301.02658	50.1
302.02853	7.1
310.90781	1.7
314.86581	14.0
315.86572	3.1
316.86145	9.4
317.00446	38.6
318.00500	2.4
359.01480	19.2
374.85208	2.2
374.99329	3.3
417.00647	1.9
456.87790	7.4
457.87762	3.4
458.87585	22.5
459.01346	13.8
459.87845	2.0
499.00015	1.7
541.00665	31.0
542.00775	6.5
600.87842	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	599.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	10.0
59.01382	35.7
61.01759	2.8
61.98839	5.1
68.99535	3.5
69.17930	13.6
69.18369	15.1
71.01385	13.0
72.99289	4.6
73.02957	3.6
75.00854	3.1
83.01383	4.2
85.02953	9.7
87.00893	4.9
88.98768	3.7
89.02452	6.8
96.96037	16.2
97.02957	2.9
99.04520	3.3
101.02445	7.0
107.05019	10.4
108.02215	3.3
113.02453	8.9
116.40959	3.0
124.01588	3.3
125.02454	3.6
126.69914	3.0
133.02957	5.4
139.03984	9.2
139.31190	2.7
157.06561	7.0
160.01566	4.2
161.02403	7.2
164.01166	21.6
165.01892	5.5
171.10300	5.5
173.05925	3.1
175.04129	3.0
175.07651	36.0
176.01169	5.0
177.02005	13.9
177.04054	5.6
178.02701	55.7
179.03448	7.9
187.07587	3.6
191.10945	3.1
193.03371	5.2
193.05078	100.0
194.05435	4.3
201.05498	8.8
204.00536	5.5
209.11876	6.3
215.07121	5.2
219.03027	7.7
235.06133	10.0
255.02849	3.2
271.10806	3.5
281.08676	4.1
306.08981	7.3
319.05896	3.3
328.05411	3.2
333.07834	3.2
334.08374	10.0
347.01477	2.9
349.10776	7.8
351.12378	4.7
361.07156	4.3
362.08038	14.8
367.12015	6.8
377.10284	79.8
378.10730	5.5
380.08987	3.6
395.11310	76.7
396.11545	11.6
397.11401	9.9
517.55847	3.0
581.23584	8.0
599.17865	10.9
599.31512	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35773	2.1
51.88893	2.3
55.10312	2.5
57.03446	3.0
59.01389	17.3
61.98830	3.6
69.86950	8.0
69.87360	5.7
71.01392	5.8
73.02940	2.9
78.67866	2.5
82.57545	2.1
87.00894	3.0
88.45076	2.3
95.01337	2.2
96.95992	6.2
99.05608	2.4
101.02488	3.6
109.69588	2.3
123.00901	5.6
124.01715	11.7
132.02193	3.3
133.02963	4.4
139.04033	15.1
149.02487	3.2
150.03178	3.7
157.06586	4.1
159.33504	2.5
161.02425	6.3
162.03270	3.9
164.01180	19.9
165.01990	3.5
175.04012	4.0
175.07678	9.8
177.00499	2.7
177.01837	13.2
178.02728	40.6
179.03452	9.0
192.04300	3.6
193.05061	71.5
201.05588	5.7
235.06111	5.1
243.06708	3.0
265.08701	2.8
306.09024	8.1
308.10269	2.7
333.07642	6.2
334.08459	8.6
345.07645	3.5
349.10724	6.8
351.12424	5.3
361.07294	12.8
362.07950	20.3
367.11899	8.5
377.10367	100.0
378.10532	9.2
395.11377	67.2
396.11707	5.4
397.11438	4.4
402.02261	3.0
563.25299	5.4
599.17822	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	599.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73386	0.8
59.01382	5.2
61.98839	4.2
65.00324	9.7
67.01868	1.3
68.99818	2.2
71.01382	2.8
71.55377	0.8
74.02457	0.9
77.87170	0.7
79.05542	11.8
83.01375	2.2
85.02911	0.8
89.02454	1.0
95.01374	2.3
96.95987	1.3
97.02982	0.9
99.00928	0.8
103.05550	4.1
105.03433	0.8
105.07119	1.3
107.05049	4.4
107.05640	0.7
109.02963	1.2
110.00089	1.9
111.00878	2.8
113.02415	0.7
117.03501	0.8
121.02946	1.0
123.00886	3.1
123.08186	3.6
124.01661	2.6
125.02497	1.6
129.07082	3.2
131.05040	4.6
133.02982	1.5
139.00414	1.6
139.04024	2.2
143.05003	1.5
145.06580	1.6
147.04549	2.1
147.08163	3.4
148.01703	1.3
149.02431	2.1
149.06088	7.1
151.00357	2.3
152.01161	2.7
157.06570	1.1
159.04503	1.2
159.08168	2.4
161.01134	1.2
161.02458	15.9
161.06088	2.2
162.03152	2.2
162.06876	2.1
163.00386	2.6
163.07690	1.4
169.06679	0.9
171.10333	1.6
172.05305	1.3
173.02417	0.8
173.06085	8.8
175.04019	3.1
175.07640	1.5
176.01172	1.0
177.01958	1.6
179.81133	0.7
185.06163	1.1
185.27605	0.7
187.00383	1.3
187.04004	1.1
187.07603	3.1
188.04942	1.2
189.01944	1.5
189.05547	3.8
190.06372	2.5
191.07156	29.3
191.08911	1.6
192.07468	1.1
203.03519	2.7
203.07162	2.6
204.04265	1.2
209.11850	2.4
213.05624	1.6
215.03607	1.1
217.05061	27.4
218.05833	11.0
219.06435	1.7
227.03571	1.6
228.09151	1.5
231.06636	100.0
232.07014	4.8
236.74150	0.9
239.03391	1.1
243.11330	1.2
255.02983	1.5
267.03021	0.8
268.03714	1.3
269.04538	1.1
283.02563	1.1
283.06033	1.4
284.03201	1.8
286.04733	0.8
297.04086	1.3
298.04892	1.0
299.05624	1.2
300.06317	0.9
301.07108	1.2
307.09714	1.7
309.07666	2.6
323.09235	1.5
333.07800	4.5
335.09296	2.4
337.07230	1.5
351.08707	1.3
361.07101	5.6
362.07629	1.0
363.08609	2.0
365.06436	1.0
379.08231	25.7
380.08978	18.4
381.09344	0.9
393.09836	1.3
394.10602	20.1
395.11362	81.7
396.11829	6.5
462.62851	0.7
533.84552	0.9
584.15186	2.4
599.17828	71.3
600.18384	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	599.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03444	2.3
59.01385	48.5
61.98835	2.1
70.10069	3.7
71.01008	1.9
71.01385	25.1
72.99292	1.4
73.02955	26.0
80.97131	1.0
83.01393	6.0
85.02964	8.7
87.00893	2.8
89.02464	7.0
95.01382	3.4
95.04996	1.1
96.96021	20.6
99.00890	2.8
101.02444	19.5
113.01834	1.1
113.02479	10.9
119.03502	2.6
119.04998	1.2
121.02917	2.5
123.00893	8.8
123.04554	1.1
125.02465	2.0
130.04317	1.3
131.03484	1.4
132.02205	1.0
133.02991	2.2
134.03748	1.9
135.00735	1.2
137.02403	1.6
143.03584	1.2
143.04988	1.3
148.01683	16.9
149.02403	2.8
157.06567	2.6
159.04501	3.4
160.01653	4.0
161.02429	4.6
161.04533	2.2
162.03238	15.6
163.04030	13.3
163.07635	7.4
173.06084	17.5
174.06468	1.4
175.04082	5.0
175.07605	1.8
176.01105	1.0
177.05550	2.0
187.04008	1.5
188.07764	1.0
189.02005	2.5
189.05556	2.0
191.07155	7.4
201.05598	4.1
203.07057	2.3
213.05556	2.0
215.07169	3.0
216.04265	4.8
217.05070	6.7
231.06638	2.7
253.08702	1.6
309.07700	5.2
335.11450	6.4
353.12418	5.9
354.36395	1.1
362.07874	3.1
377.10300	15.8
379.11838	3.3
380.09055	3.2
393.09891	1.3
394.10565	2.1
395.11606	15.1
395.19592	1.4
437.12320	2.9
479.13358	2.9
539.07684	1.3
539.15637	20.8
540.15906	2.2
557.16663	23.5
558.16827	3.0
563.24744	4.7
584.15472	2.0
599.17706	100.0
600.18011	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	599.1563
Annotation	Neosappanone A
Peak:m/z	Relative Intensity
52.07277	1.3
59.01377	4.8
61.98819	3.1
71.01361	1.5
71.50451	2.5
72.15939	1.4
73.02930	1.5
85.02901	1.2
107.05050	12.0
108.02191	11.2
109.03004	2.2
109.11771	1.6
121.02939	1.5
123.04551	7.1
123.05273	1.3
125.82627	1.6
131.08673	1.4
132.02174	1.5
133.02945	1.5
133.06602	1.4
135.00941	3.0
135.04518	1.6
137.02429	1.7
145.23724	1.3
146.03864	1.3
147.04529	1.3
148.01695	6.7
149.02411	3.1
151.03989	4.2
157.06599	8.2
159.04491	4.1
161.02458	1.4
163.00374	2.1
163.03992	2.5
167.03491	12.0
171.10181	1.6
173.02481	2.5
173.06047	1.6
174.03230	17.8
175.04033	9.1
175.07651	30.3
176.01137	5.8
177.01781	1.4
179.03435	5.9
189.01880	3.1
189.05609	6.3
191.03502	7.6
201.01933	3.7
201.05589	9.5
202.02704	6.6
203.03459	5.1
204.00514	1.8
219.06525	2.5
221.19409	1.3
225.05545	1.7
227.07034	1.6
229.01382	2.0
230.02211	15.8
245.04500	13.5
249.05656	2.4
265.05081	1.3
269.04507	1.4
283.06052	2.1
291.06570	2.2
303.10367	2.2
305.04404	1.6
305.08157	1.6
317.08157	2.2
319.09750	1.8
321.04050	1.5
321.07626	2.0
331.10104	1.9
332.10318	1.9
334.08676	2.1
335.05573	6.3
348.09979	3.8
349.03329	2.2
349.07184	1.6
350.07886	8.8
351.12210	1.4
359.09186	1.7
362.07993	3.9
363.12363	2.8
365.10300	24.3
366.10605	2.5
374.08127	2.2
375.08771	3.6
376.09549	43.7
377.10263	14.4
389.10269	3.5
390.07468	3.0
391.11911	100.0
392.12234	6.7
403.07648	2.6
403.12219	2.9
408.04828	1.7
423.07193	42.6
424.07504	4.6
521.08649	2.1
527.13269	3.4
536.11151	4.5
537.11084	1.6
541.14972	2.0
551.13611	14.2
552.13470	2.6
554.12451	4.2
569.14563	79.8
570.14905	10.3
581.14618	4.3
599.15094	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	597.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68507	10.0
59.01394	13.5
61.06923	12.1
69.33153	100.0
97.03156	10.4
282.10880	14.1
512.39215	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	599.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09015	0.2
70.91238	0.3
78.95961	0.2
79.95755	2.5
90.56863	0.2
96.96019	100.0
97.95934	0.3
108.48254	0.1
144.93111	0.1
149.06073	0.1
189.05470	0.2
217.05060	0.2
244.66812	0.1
339.07260	1.1
501.12457	0.4
539.07257	0.4
599.09351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.25
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73940	0.4
65.73522	0.5
66.44277	0.5
67.01909	0.6
68.27700	0.4
69.62794	2.8
84.66115	0.4
93.03469	0.5
98.19910	0.9
107.05048	4.2
108.02183	2.6
116.93874	0.6
119.05031	1.2
123.04528	1.4
135.04536	8.2
136.05281	0.7
148.01677	2.1
149.02473	0.5
149.06075	0.5
157.06607	0.7
159.04520	1.3
159.08162	0.7
161.02386	0.6
165.05589	0.7
165.77705	0.6
167.03535	2.7
171.08167	0.7
173.02435	0.7
173.06123	0.6
176.01166	0.6
177.12904	1.3
187.03998	2.0
189.09198	1.1
191.03453	1.0
195.08276	0.8
203.07140	0.8
211.07640	1.4
212.08446	1.4
213.09221	1.5
215.07257	0.9
223.07744	0.7
225.09259	7.1
226.09975	4.6
227.10591	0.8
227.14514	0.5
237.05536	1.4
237.09250	1.5
238.06441	1.3
239.10762	0.7
241.08678	1.8
248.12238	0.5
249.09294	0.6
251.07115	1.7
251.10742	0.8
261.12915	2.3
263.07095	3.3
264.07721	0.7
265.12503	0.6
273.12784	0.5
277.08704	1.6
278.86969	0.5
289.08801	0.6
305.11600	0.9
305.19067	5.2
331.20673	4.3
349.21704	19.0
350.22101	1.6
357.22507	0.7
373.21857	1.2
375.19629	32.2
376.19894	2.9
387.19595	1.2
393.20734	100.0
394.21021	8.4
399.19937	0.5
401.21213	10.3
402.21561	0.8
415.19193	3.1
417.20908	2.0
535.24817	0.9
551.24335	1.2
579.23907	29.1
580.24268	3.6
597.24689	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	597.25
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83139	0.5
60.61847	0.5
61.98814	1.0
71.12130	0.5
71.54755	0.5
71.55205	0.7
76.98539	0.5
78.95915	0.5
88.27379	0.4
107.05001	1.6
109.02912	0.7
121.02872	0.6
136.01645	1.4
139.04016	1.0
146.03688	1.8
149.02400	1.1
149.06081	2.2
152.99609	0.6
157.06578	1.9
159.04526	12.3
159.08138	1.0
161.02435	2.2
173.02292	0.8
174.03207	3.2
175.03928	0.6
175.07648	5.1
177.09248	0.7
187.03897	0.7
189.09200	0.6
195.17996	0.6
201.05560	1.9
202.02705	8.6
203.07149	4.5
206.02170	2.6
213.05568	1.2
215.10716	0.6
221.08128	1.7
225.09227	32.8
226.09549	1.7
229.05046	0.7
229.08572	2.4
231.06604	2.1
234.01689	4.3
237.09227	9.7
239.10677	0.7
241.05107	0.6
242.05862	1.1
246.09100	0.6
247.06044	2.8
250.10081	0.5
251.10770	1.3
257.08209	100.0
258.08487	4.6
281.08246	1.0
295.17044	35.7
296.17416	2.3
305.15527	8.1
306.15765	0.9
307.13342	0.8
321.15073	1.1
321.18716	1.6
325.14487	1.3
339.16034	62.6
340.16312	3.9
347.12933	0.6
349.14468	9.5
350.14670	0.8
365.14041	2.3
553.26331	1.0
561.19592	1.5
579.19568	2.3
597.25098	23.4
598.25537	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	597.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.8
57.03445	3.9
58.00602	2.3
59.01384	93.4
61.98822	1.7
69.29074	10.3
71.01389	26.8
71.68147	1.4
72.99310	3.6
73.02953	2.9
75.00880	7.9
83.01383	1.6
85.02956	6.1
87.00876	2.4
89.02455	16.5
99.00888	2.5
99.04533	6.2
101.02448	11.3
111.93816	1.4
113.02447	8.6
119.03493	4.7
121.02956	2.5
129.01967	2.7
147.03027	2.4
152.01109	1.8
165.04097	7.5
165.12878	5.0
167.10777	1.7
197.41428	1.4
207.13913	13.5
209.04678	1.9
209.11858	34.6
215.28847	1.5
225.15016	14.2
229.49547	1.6
251.12955	6.2
267.07257	7.2
269.13956	70.6
270.14261	3.4
279.47742	1.5
287.15048	2.9
327.05130	6.1
389.18054	1.5
417.17365	2.1
447.09607	3.2
449.20309	100.0
450.20599	6.5
465.19849	2.2
537.32880	2.7
597.24054	96.7
598.24561	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	597.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45087	0.2
55.01857	0.3
56.09433	0.2
57.03418	0.3
59.01386	3.9
61.98825	0.6
64.04933	0.3
65.77770	0.2
67.66071	0.2
68.82698	0.2
69.21364	2.3
71.01389	3.4
72.99323	0.3
73.02956	1.3
75.00874	0.8
81.03461	2.8
83.01384	0.6
83.04579	0.4
83.05033	4.8
85.02969	1.7
87.00842	0.3
89.02454	0.4
96.96005	1.0
98.20696	0.5
99.00880	0.6
100.07652	0.8
101.02442	1.8
108.02148	0.4
113.02456	1.4
119.03384	0.3
122.03748	7.1
125.02449	0.7
137.02443	0.5
143.03481	0.4
150.06895	0.3
159.03026	0.4
161.04562	4.4
169.10248	1.2
171.08203	3.6
190.98462	0.3
199.18173	1.1
213.09232	100.0
214.09569	5.0
225.07777	0.4
225.16103	1.2
237.09236	0.7
243.17113	2.7
261.57007	0.3
303.21918	0.5
353.20892	0.9
375.14490	13.3
376.14911	1.0
391.43314	0.3
398.63132	0.3
401.43991	0.3
441.60855	0.3
451.32816	0.3
465.27139	2.5
469.34082	2.0
519.25653	0.3
579.37738	0.6
596.31592	0.3
597.31512	1.1
597.38947	16.1
598.39124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08019	1.6
59.01388	11.2
69.33774	8.1
69.34199	6.4
71.01387	11.2
73.02953	6.2
83.01408	3.3
85.02972	5.3
86.73676	1.9
87.00896	24.5
89.02469	8.5
90.71809	1.7
93.03482	3.3
96.96056	2.4
99.00909	6.2
100.01696	4.7
101.02467	7.2
108.02195	10.4
109.02984	7.8
111.00893	13.5
112.98826	4.5
113.02496	3.1
121.02995	4.9
122.03767	11.9
123.00929	5.1
123.04567	6.1
131.03561	2.1
135.04564	2.1
137.02492	2.2
139.50386	1.8
142.99910	2.9
149.02464	22.6
149.04497	3.1
150.03247	83.3
151.04012	7.2
152.01176	19.5
153.01968	3.9
161.02486	5.1
163.04041	3.2
164.04800	11.7
165.05592	100.0
166.02756	5.1
166.05995	3.0
167.03470	2.3
173.00946	8.7
174.01700	2.3
175.04099	2.2
176.04866	3.0
179.03561	4.8
179.07227	6.7
180.04353	8.1
181.05112	8.4
190.02675	2.7
191.03587	6.9
191.07181	4.0
193.08775	2.1
194.05922	6.0
195.06641	41.4
205.05179	3.4
206.05838	3.4
207.06729	2.2
209.08289	8.2
219.03107	2.1
221.08342	7.3
247.02609	3.5
249.07867	3.0
261.04208	3.1
262.04898	5.3
263.05414	1.9
264.06506	5.6
265.07315	4.6
276.06519	3.6
277.07248	11.5
281.06760	2.2
337.09302	28.9
369.13354	10.2
413.12756	4.5
429.10507	2.2
435.09241	2.8
461.14502	30.5
462.15067	3.1
473.15717	2.7
491.16205	2.9
525.84894	1.9
533.17084	5.7
537.25500	17.5
579.17157	16.6
580.18140	2.0
597.18445	87.8
598.18262	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	597.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.8
59.01384	6.7
60.35574	1.1
69.49877	8.9
71.01391	7.2
72.99297	1.8
73.02940	5.8
75.00890	1.6
75.79884	1.1
83.01389	2.3
85.02963	5.5
87.00880	8.4
89.02464	2.4
93.03441	2.8
95.01362	1.9
97.02994	1.8
98.20654	1.7
99.00888	5.8
100.01655	3.7
101.02438	2.6
107.05078	1.5
108.02193	15.2
109.02970	6.8
111.00894	9.7
112.98835	3.8
113.02450	3.3
121.02942	4.6
122.03740	11.2
123.00895	5.3
123.04519	5.0
131.03548	1.4
135.04515	2.9
137.14684	1.2
138.03220	1.6
142.99922	3.0
147.04489	1.3
149.02451	16.3
150.03233	87.6
151.00421	5.7
151.03937	4.4
151.99989	2.0
152.01173	26.9
153.01988	5.8
161.02423	2.9
163.04027	2.0
164.04832	7.6
165.05582	100.0
166.02666	2.7
166.05923	3.3
167.03516	4.8
173.00925	5.6
174.01675	3.0
175.03999	1.5
176.04759	2.0
177.05688	1.1
178.06451	1.7
179.03491	3.2
179.07103	6.1
180.04295	7.6
181.05016	5.7
190.02850	1.9
191.03497	4.3
191.07222	2.4
193.08656	2.6
194.05823	4.0
195.06642	50.2
196.06931	1.7
203.03491	1.6
205.01234	1.4
205.05087	3.0
206.05824	2.3
209.08185	4.0
221.08237	3.4
241.16505	1.2
247.02386	1.7
247.06320	1.6
249.03900	1.8
249.07726	1.5
261.04031	3.4
261.07629	1.8
262.04950	7.0
263.05356	1.4
264.06323	3.5
265.07166	4.5
276.06384	2.9
277.07208	10.5
285.03928	2.6
295.08160	1.6
337.09317	28.8
429.10187	5.6
447.11295	2.7
461.14529	23.2
462.14856	1.9
473.14401	1.8
491.15576	1.7
521.16559	3.3
533.17181	2.7
579.17279	12.3
597.18323	77.3
598.18451	6.6
602.73077	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	597.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
59.01099	1.3
59.01385	6.2
60.19483	1.1
61.98835	2.0
69.03480	1.7
69.61443	7.9
71.01389	7.7
72.99325	2.0
73.02945	4.3
83.01402	5.1
85.02972	4.2
87.00887	30.8
88.58858	1.2
89.02446	2.4
93.03471	3.5
93.75067	1.3
96.96018	9.6
97.02931	2.3
98.19971	1.7
99.00887	4.2
100.01658	3.3
101.02447	4.5
108.02178	3.0
109.02956	4.2
110.00103	1.6
111.00896	37.7
112.98847	1.3
115.00444	1.5
121.02956	6.1
122.03768	12.2
123.00885	1.5
123.04528	3.8
125.02512	1.5
129.01956	2.4
130.02708	1.9
131.03531	2.0
133.03006	1.8
134.03688	1.6
135.04527	1.6
136.01668	2.1
137.02432	3.4
138.03230	2.1
142.99837	1.7
147.02983	2.3
149.02449	26.2
150.03244	91.6
151.04045	13.8
152.01105	3.1
153.01857	3.0
161.02429	4.6
162.03250	2.2
163.04089	3.3
164.04794	15.6
165.05588	96.1
165.63528	1.4
166.02708	3.1
166.06010	1.3
167.03543	4.2
173.00964	2.5
176.04755	3.9
178.06329	2.2
179.03471	5.0
179.07158	13.2
180.04282	4.4
181.05064	9.3
190.02670	2.2
191.03528	3.4
191.07153	1.6
192.04311	2.3
193.05176	1.4
194.05887	8.3
195.06641	33.4
203.03543	1.5
203.23471	1.3
205.05037	2.4
207.06696	1.6
209.08195	7.9
219.03026	1.2
219.06673	2.6
220.03691	1.8
221.08391	1.8
227.06897	1.4
233.04654	1.4
234.05247	2.6
235.05988	1.4
246.05307	2.3
247.06139	1.8
249.04063	3.4
249.07771	6.6
250.04918	1.4
261.05493	3.1
264.06430	12.3
265.07016	7.9
265.24188	1.3
266.06161	1.4
276.06360	1.6
291.08826	2.2
337.09311	13.8
339.07275	1.5
357.13318	1.5
369.13211	1.3
390.22977	1.3
405.15009	1.5
413.12433	8.2
435.13364	1.8
457.22220	1.3
461.14590	64.0
462.14853	4.7
473.14667	1.9
477.13889	1.6
487.16364	3.9
505.17029	3.5
521.16772	4.5
579.17114	11.0
597.18262	100.0
598.18799	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.7
65.00337	2.1
65.66228	1.5
69.22985	7.6
69.23389	3.8
71.01381	9.7
72.99339	1.3
73.02964	4.7
75.00886	1.4
83.01408	2.3
85.02987	4.6
87.00893	13.4
89.02461	1.9
93.03459	2.9
96.96017	1.6
99.00924	3.5
100.01713	3.1
101.02495	5.6
105.01925	1.6
107.01494	1.7
108.02186	24.2
109.02988	9.6
111.00896	8.8
112.78841	1.2
112.98836	3.8
113.02525	3.0
118.61698	1.4
121.02978	5.3
122.03732	10.3
123.00933	3.6
123.04562	7.2
124.01713	2.6
125.02501	2.3
127.04119	1.6
129.01994	1.9
130.02737	1.7
133.03017	1.6
135.04552	1.7
137.02458	1.9
142.99918	2.8
149.02457	17.4
150.03235	83.7
151.00433	5.4
151.04027	5.0
152.01163	38.5
153.01959	9.0
153.05661	1.8
161.02515	2.8
161.04688	1.4
162.03189	1.7
163.04080	4.8
164.04816	6.9
165.05582	100.0
165.64839	1.3
166.02773	3.8
166.05995	2.8
167.03514	9.4
168.00706	1.5
173.00958	6.1
173.02336	1.5
174.01764	5.6
175.04071	3.0
176.04907	3.5
177.01921	2.0
178.06343	3.1
179.03534	3.6
179.07158	7.7
180.04329	7.3
181.05132	4.7
189.05779	1.3
191.03613	3.5
191.07260	1.8
193.08774	2.3
194.05917	3.7
195.06631	50.2
203.03526	1.5
205.05161	1.5
206.05882	1.6
207.03018	2.0
209.08257	5.4
219.03064	2.1
221.08324	4.2
234.05272	1.4
247.02657	2.5
249.04083	1.5
249.07758	3.4
261.04178	3.0
262.04971	3.9
264.06375	2.9
265.07339	4.9
276.06592	2.1
277.07135	10.5
285.04163	1.9
327.12454	1.9
337.09274	33.1
338.09879	1.6
355.07404	2.3
356.07547	1.9
378.25558	1.3
429.10443	6.8
447.11810	3.0
461.14575	24.5
461.20456	1.8
462.15088	1.8
473.14832	2.9
477.12143	1.9
521.16821	2.8
533.16986	3.5
543.62921	1.6
579.17340	12.2
597.17859	86.4
598.17865	5.4
617.57574	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	596.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28969	1.7
57.03458	28.2
59.01388	38.8
61.98837	100.0
69.95771	8.9
71.01388	12.2
73.02964	3.7
75.00867	2.3
83.01401	2.9
85.02969	4.3
89.02459	5.9
89.57790	2.0
96.96017	13.2
98.20551	2.5
99.00893	3.3
99.04534	35.9
101.02449	14.6
113.02459	5.4
119.03528	2.2
125.02457	6.9
137.02461	3.2
143.03413	2.5
161.04512	3.8
205.73074	2.0
287.22443	2.0
389.21841	4.8
402.17184	2.0
431.22662	3.4
449.27655	11.6
533.26111	52.7
534.26410	4.1
585.30164	2.0
597.31250	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16752	0.9
59.01369	3.4
63.20495	0.8
65.00300	1.2
65.28783	1.0
68.33169	0.8
69.86583	5.0
71.01385	4.1
72.99289	1.6
85.02949	2.6
89.02499	1.1
89.62107	1.0
91.01902	6.4
99.00877	1.7
101.02434	1.4
108.02185	55.6
109.02982	21.2
113.02480	1.4
123.04543	17.2
125.02423	0.9
146.40327	0.9
151.03979	1.0
152.01170	100.0
153.01967	21.6
163.04013	3.3
167.03523	23.4
177.01939	1.7
179.03641	1.3
297.06027	1.2
315.07333	1.6
345.11047	0.9
429.10428	19.8
430.10599	1.6
447.11420	11.1
448.68671	1.1
537.32690	1.8
597.14655	89.5
598.15082	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	595.2894
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01383	1.0
61.95931	0.7
70.26866	1.9
78.95911	63.2
88.19575	0.6
96.96964	11.5
102.99726	0.6
106.95471	0.6
108.02119	0.7
122.39029	0.6
140.24768	0.8
150.98035	2.0
152.99599	100.0
153.99895	1.3
163.34599	0.7
171.00653	2.2
223.00142	11.7
225.09154	1.1
225.16231	0.6
241.01210	27.0
259.02332	1.5
263.06833	0.7
279.23303	66.6
280.23694	4.1
315.04880	16.8
323.12943	1.0
333.05957	1.1
375.19525	0.9
393.20691	3.3
425.19687	1.0
542.58948	0.6
559.30499	0.7
595.28931	87.8
596.29327	8.3
602.78186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2798
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01386	2.9
61.98838	1.3
63.74139	0.4
63.96252	1.3
69.03454	1.1
71.01395	7.8
71.54917	0.6
72.69246	0.6
72.99315	0.8
73.02973	1.6
78.98608	4.1
79.95742	10.0
80.28789	0.5
80.96526	62.1
81.03471	0.8
82.96124	1.9
83.01415	0.5
85.02967	2.8
87.00919	2.0
94.98100	13.5
95.01487	0.6
96.96042	1.3
97.02991	2.1
101.02467	2.4
106.98141	2.1
107.05017	0.8
111.00903	0.9
119.06222	0.5
121.03008	0.8
122.06143	1.0
122.97595	2.7
123.00881	0.6
123.04633	0.5
125.02472	3.6
127.04034	0.9
132.02220	0.9
134.97589	4.7
135.00964	0.6
136.01730	0.6
136.99173	1.3
141.03577	0.7
148.01711	0.6
148.99133	5.9
151.00383	0.5
152.07225	2.0
152.98619	5.2
157.13058	0.5
164.98651	10.5
175.07701	1.4
176.05782	0.5
177.01855	0.6
185.06171	0.6
186.03267	1.6
195.13995	1.2
201.05576	1.6
203.07152	0.9
206.99773	1.7
208.05231	0.7
210.03175	2.5
211.04045	0.6
223.04158	0.6
224.04712	0.6
225.00641	12.6
225.05612	0.5
225.09241	0.7
226.01073	0.5
227.00607	0.6
236.04977	0.7
239.03580	1.8
239.12099	0.9
251.07314	0.6
252.04456	1.0
254.02345	2.0
255.02980	1.1
260.05151	0.6
264.04425	1.5
267.02994	2.5
268.03885	0.8
269.04517	5.8
276.04102	0.5
279.03070	0.9
281.04346	0.8
282.05316	3.4
283.02618	1.2
283.06049	1.2
295.22968	1.1
296.06857	0.6
297.04092	6.8
298.04761	3.5
299.04474	2.7
307.02716	1.2
308.03394	1.8
313.07431	1.4
323.05634	7.9
324.06229	1.0
330.16275	1.8
354.16318	0.7
389.23569	1.6
393.09103	0.6
409.20532	1.1
468.15884	0.6
493.09586	0.9
495.24451	1.2
521.22211	1.4
563.10400	0.7
563.23090	2.7
566.08710	0.6
580.10028	7.5
581.10919	1.7
595.12915	44.8
595.27753	100.0
596.13031	7.0
596.28113	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	595.28
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01366	3.3
61.98807	3.0
63.96226	1.3
70.02467	3.1
70.02878	1.7
71.01389	7.3
73.02940	1.4
73.43433	0.9
74.69887	0.9
78.98610	5.4
79.95750	8.8
80.96525	57.9
81.03467	1.3
85.02956	2.1
87.00844	2.0
94.98100	13.4
96.95995	2.0
97.02925	2.3
99.00907	1.0
101.02422	2.5
106.98051	2.0
107.04984	1.5
122.97591	2.3
123.04527	0.9
125.02466	3.3
127.21497	1.1
134.97559	3.8
136.99106	1.0
148.99132	5.5
152.98621	6.5
157.06552	1.2
161.02509	1.6
163.00307	1.1
164.98630	10.4
175.07614	3.9
176.71516	1.1
177.83806	0.9
180.05598	1.0
201.05594	1.5
206.99681	1.7
224.04643	1.1
225.00784	12.8
225.09338	1.3
226.12340	1.0
227.10767	1.1
250.02699	12.0
251.07074	3.1
265.05215	6.1
294.01758	2.1
295.06140	8.8
299.04544	2.9
309.04105	7.4
313.07047	1.1
340.89877	1.1
349.07059	2.9
364.09601	1.5
379.11926	15.4
380.12253	1.0
391.19125	4.2
409.19986	5.4
419.07758	0.9
453.19049	1.0
489.19080	1.1
595.27808	100.0
596.13708	1.0
596.28107	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	595.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38718	1.0
55.30837	0.8
61.98844	2.1
71.55725	1.0
81.03451	1.4
82.94650	1.0
107.05072	1.4
108.02194	2.3
119.04994	1.0
123.04498	1.4
135.04523	1.1
141.03604	1.0
159.04550	1.6
163.04025	1.1
167.03563	2.7
179.08589	1.4
191.03421	1.6
209.06094	1.6
210.06882	1.6
211.07703	2.0
213.09175	1.9
221.05998	1.1
223.05470	1.6
223.07661	25.8
224.08313	4.9
225.09238	5.0
226.09912	1.3
227.14622	1.3
237.09282	2.3
237.41243	0.9
239.07097	2.3
248.08278	1.3
249.09219	1.8
251.07208	1.7
252.10632	1.1
262.57193	1.0
263.07095	1.7
264.07941	2.5
267.06726	1.2
275.07199	5.7
275.10657	1.0
276.07867	3.7
282.16336	1.3
283.25974	1.0
287.07205	2.3
287.10895	1.2
295.17249	1.3
302.13181	1.9
303.10358	6.9
304.11096	8.2
308.06836	1.5
315.10001	1.5
329.11664	1.3
339.15729	2.1
340.16611	1.3
345.18466	2.6
347.20154	22.3
355.17120	1.4
371.20074	2.9
373.18002	19.2
373.21875	2.3
387.19675	1.7
391.19171	100.0
392.19531	7.8
399.19650	32.6
400.19775	2.9
415.19067	1.8
417.20743	22.2
418.21024	2.2
420.31146	1.2
431.18616	3.9
451.11707	1.3
533.23450	1.1
549.22778	4.0
553.22589	2.1
559.30658	3.0
577.22406	28.4
578.22693	4.3
595.23468	10.6
595.35382	4.0
596.23431	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10040	0.8
76.44166	0.9
122.23364	0.9
134.03731	1.5
141.54991	0.9
149.02385	1.5
149.06090	1.8
185.82292	1.0
206.85457	0.9
225.09225	50.2
226.09508	4.0
237.09242	14.0
238.09555	2.2
251.10838	3.2
263.10870	1.5
272.10400	0.9
295.17047	67.4
296.17374	9.1
297.17599	1.3
321.18512	6.0
339.16016	100.0
340.16409	16.2
341.16711	4.3
391.19308	1.3
415.19321	1.7
417.21219	1.0
577.21790	2.0
595.23395	30.8
595.34167	1.6
595.36560	1.9
596.23608	4.6
615.24725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31970	0.5
70.86800	1.3
86.08429	0.6
134.03786	1.6
149.02553	0.8
149.06111	2.0
157.06593	4.8
159.04562	0.7
161.02487	0.7
175.07613	1.2
183.08215	0.7
185.06119	0.6
191.07332	0.6
201.05647	2.8
225.09221	44.1
226.09604	2.8
227.07187	5.9
237.09222	11.8
238.09544	1.1
242.12694	0.7
251.10815	1.4
255.06648	49.9
256.07153	2.7
263.10953	0.8
272.10657	0.7
272.25275	0.6
281.08215	1.2
295.17050	58.3
296.17422	4.2
321.18723	3.3
339.16025	100.0
340.16351	8.2
434.28482	0.7
506.07193	0.6
551.24567	1.5
595.23407	32.4
595.33582	1.1
596.23468	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	595.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15048	1.1
57.97793	1.3
62.39911	1.2
63.46855	1.2
94.24247	1.3
95.42470	1.3
97.42346	1.1
98.19883	4.5
105.87528	1.1
108.02180	5.7
112.87959	1.2
117.03484	1.2
123.00898	1.1
123.04541	3.7
141.83281	1.0
148.01674	3.1
158.03752	1.8
159.04533	2.2
163.00348	1.7
165.05591	1.4
167.03505	4.6
171.04616	1.8
176.01137	2.4
177.12788	1.2
179.08618	2.0
191.03471	2.9
193.06567	1.3
195.08023	1.9
196.05318	2.9
209.06084	2.5
210.06862	2.2
211.07523	2.4
213.09201	4.0
215.03386	1.6
223.07661	20.8
224.08344	5.2
225.09215	4.5
227.07259	1.7
229.89816	1.4
234.06850	2.7
235.07603	4.4
237.05489	1.2
237.09114	2.1
239.07129	5.6
245.09868	1.7
247.07680	2.8
248.08350	2.8
249.09222	6.8
251.07265	2.0
257.08173	7.4
259.07669	1.8
261.05554	1.5
261.09280	2.5
262.06366	4.4
263.07123	2.9
264.07877	4.1
267.06506	1.7
271.07855	1.2
271.11224	1.4
275.07199	10.9
275.10165	2.0
276.07834	6.6
277.08594	1.7
279.06693	1.3
282.16379	2.4
287.07205	5.7
287.10788	8.1
289.08774	2.4
289.12311	2.6
290.05994	1.5
293.08212	4.1
301.08862	1.9
301.12357	3.7
302.13052	6.4
303.10251	5.7
303.13614	2.0
304.10977	7.0
305.08139	1.7
305.11502	1.7
308.06958	5.4
310.08414	1.4
313.12366	1.6
315.10315	5.6
326.15463	1.9
329.11835	5.9
330.12515	2.6
333.11334	1.4
345.18832	1.9
347.20172	22.3
348.20618	2.6
371.20114	10.8
372.20676	1.5
373.18018	19.7
373.21909	6.3
374.18115	1.8
387.19553	5.1
391.19177	83.7
392.19531	8.4
399.19672	79.0
400.20004	6.6
403.19086	2.3
415.19061	3.0
417.20749	100.0
418.21091	8.1
425.10416	2.8
427.18958	2.2
431.18625	14.2
432.19031	2.2
437.10135	1.7
465.13580	2.7
533.22827	2.7
549.23010	10.3
550.22894	1.8
551.24304	2.0
553.22229	5.3
559.21204	3.5
559.29584	1.6
567.23718	2.8
577.22345	76.2
578.22827	14.0
595.23425	38.5
596.23694	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	595.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.0
61.98835	2.4
67.01871	0.4
69.19757	4.7
71.01385	2.2
73.02934	1.4
81.03459	1.7
85.02920	0.9
85.17033	0.4
87.00880	0.9
88.98817	0.7
89.02470	0.6
89.03973	0.6
91.01901	4.1
93.03457	0.6
101.02468	1.2
108.02171	1.1
108.89726	0.5
113.02457	1.0
117.03497	0.8
121.02911	0.5
122.03745	12.9
123.00861	0.6
125.02475	0.9
132.02184	11.4
133.02991	3.4
134.03757	16.2
135.04488	2.0
137.02448	1.8
139.03970	0.7
146.03732	0.6
149.02440	0.5
149.06079	2.3
160.01671	54.5
161.02463	6.5
161.04579	0.4
169.06584	3.2
169.10223	1.2
171.08199	4.9
175.04012	52.5
176.04419	1.7
177.05606	0.5
178.02672	0.9
179.03493	2.0
187.00343	0.6
193.05058	8.2
193.08704	0.7
194.05327	0.6
195.08168	1.2
210.51837	0.5
211.07623	0.9
213.09224	49.9
214.09485	1.9
217.05138	0.6
221.04802	0.5
227.10873	0.7
239.07138	12.7
240.07491	0.8
257.08173	6.6
323.07709	5.3
337.09320	9.2
470.39014	0.5
473.87714	0.5
490.34848	1.6
491.34674	1.0
508.35739	0.8
551.18951	2.6
563.15350	1.1
595.18207	100.0
596.18610	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	595.1675
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
52.36066	0.8
55.01879	1.2
59.01118	0.9
59.01390	9.3
62.72871	0.8
65.00304	0.9
68.99804	1.2
69.03453	1.1
71.01397	7.0
71.54263	1.3
73.02937	1.8
75.00882	5.3
79.01901	2.4
81.03453	3.3
83.01377	4.8
85.02947	1.9
87.00858	1.4
89.02437	4.8
93.03472	7.8
95.01385	2.1
95.05027	1.0
96.96012	2.7
97.02972	5.0
99.00855	1.7
101.02435	3.8
105.03434	1.0
107.00848	0.7
107.01408	8.3
107.05003	1.4
108.02188	1.1
109.02948	3.6
109.06596	0.9
111.00840	1.3
111.04508	2.2
113.02442	3.1
113.03517	0.8
113.69009	0.9
117.03479	0.9
117.68012	0.8
119.03513	2.0
119.05041	39.0
120.05360	1.0
121.02958	5.2
123.00858	2.1
123.04504	3.5
125.02469	8.3
129.01918	0.8
131.04990	0.9
135.04510	3.3
137.02470	5.9
137.06052	1.1
139.04030	8.2
143.05032	6.4
145.02972	7.5
147.04527	3.0
149.02477	6.3
149.04572	1.1
149.06038	1.0
150.03178	1.6
151.00409	6.3
151.03996	2.5
159.04497	1.6
161.02422	1.6
161.04797	1.1
161.06087	2.6
163.00400	4.1
163.03996	4.8
164.01074	1.1
164.04843	0.9
165.01956	7.6
165.04031	9.0
165.05548	2.5
167.03494	12.4
175.03992	2.8
177.01949	6.7
177.05487	1.5
178.02592	1.5
179.03575	4.8
179.05434	1.3
185.06093	1.5
187.04042	7.9
189.01936	1.9
189.05507	2.0
191.03493	4.3
192.00633	1.6
192.04002	0.9
193.01422	12.4
193.05025	1.3
194.01854	0.9
195.05040	1.2
197.04498	3.2
198.06824	0.9
199.07593	3.5
203.03513	1.3
203.06966	1.0
205.01440	8.0
207.03014	5.0
209.04584	4.2
210.06796	1.0
213.09061	1.1
217.01433	1.2
219.03000	4.9
221.04535	3.0
223.02441	2.7
223.13319	1.4
227.07095	3.6
233.04509	1.5
235.02486	14.9
239.05402	2.5
241.08661	1.2
243.06615	1.9
245.04285	0.9
245.08037	1.5
247.02376	2.3
249.03949	2.0
249.30453	1.0
253.08647	1.0
261.04034	1.9
265.03497	6.1
265.08319	1.0
267.06894	1.4
271.06198	5.0
283.06140	2.2
283.09546	1.5
285.07816	1.0
298.08325	1.1
311.09390	1.1
313.03867	1.5
313.07239	20.0
314.07666	1.1
325.07248	8.9
327.08377	1.7
337.06964	1.1
339.08673	1.3
343.08231	8.4
353.06351	1.5
355.08240	100.0
356.08676	7.3
360.71518	0.9
367.08081	5.4
385.09302	81.8
386.09750	6.5
397.09393	4.4
415.10400	23.7
416.10938	1.5
416.90784	1.0
427.10242	2.2
433.10532	2.0
439.10474	1.1
445.11072	1.5
447.18402	1.1
457.11362	11.4
475.12482	43.4
476.12689	3.0
487.12518	7.7
505.13632	14.5
535.20770	1.3
559.13928	1.6
577.15613	5.5
595.16504	92.4
596.16907	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	595.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23597	0.6
59.01368	2.1
61.98545	0.9
61.98840	11.5
63.99262	1.4
69.20652	7.3
71.01393	1.1
71.16732	0.8
79.95740	1.0
80.96526	6.4
94.98093	0.8
96.96014	1.4
98.20695	1.3
101.15169	0.7
114.34181	0.7
131.63757	0.7
134.03723	1.5
164.98672	0.8
211.04024	0.9
221.56039	0.9
225.00624	1.2
233.06134	1.2
239.03575	1.7
241.01527	0.8
254.02144	1.0
260.04706	0.8
261.05643	3.2
263.03717	0.8
267.02960	2.1
268.03638	0.9
269.04459	1.3
276.04172	1.1
277.05051	2.0
282.01865	1.5
282.05347	5.5
283.06363	1.1
287.03534	0.8
288.04251	1.1
289.05096	4.1
291.06808	0.9
297.04160	1.0
297.07651	2.0
299.05338	0.8
304.03934	1.7
304.07385	1.9
305.04587	3.9
306.05273	1.2
307.05911	0.9
316.03644	2.1
317.04691	1.7
318.05435	1.1
319.06152	2.0
331.02628	0.9
331.06174	1.2
332.03299	2.3
333.04156	4.1
344.03333	1.2
345.04016	4.8
346.04660	2.3
347.05664	1.8
348.06461	1.6
359.05481	2.3
360.02768	1.8
361.03568	4.0
374.03937	1.0
375.05066	1.9
376.05923	2.3
387.05338	1.4
389.03119	7.2
403.04620	5.7
404.05380	33.6
405.05661	3.4
419.07840	13.3
421.92426	0.8
431.04218	2.4
444.05310	0.9
478.07242	0.9
509.09006	1.3
521.08356	1.0
537.08411	4.7
552.10638	9.9
565.07849	2.0
567.12891	13.1
568.13397	1.5
578.96637	0.9
580.09943	3.9
594.26855	1.2
595.12500	100.0
595.26410	11.2
596.12909	12.2
596.27380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01395	1.0
61.98829	1.0
65.00331	1.3
70.82661	0.8
70.82996	0.7
71.01410	1.5
73.02956	0.5
78.98602	0.8
79.95752	2.0
80.96526	10.4
81.95337	0.6
81.96484	0.5
82.96124	3.2
85.02957	0.5
90.93302	0.5
91.01924	0.8
94.98096	2.4
95.01391	2.9
96.97681	0.9
97.02992	0.6
99.96317	0.5
106.98064	0.7
108.02213	0.5
109.02984	1.0
110.52404	0.4
117.03443	1.1
121.02998	1.4
123.00900	7.1
124.01682	100.0
125.02452	2.4
132.02188	1.2
139.04031	45.6
140.04353	0.6
143.05051	0.5
148.01683	0.9
149.99602	5.9
151.00276	0.8
152.98688	1.3
161.02429	0.8
164.98698	1.4
165.01944	6.8
167.04980	0.5
169.02974	0.6
180.48402	0.6
183.03001	7.4
183.04538	1.3
195.04575	1.2
197.02472	3.3
198.03230	0.8
199.04097	1.4
208.05394	1.0
210.05014	0.5
211.04100	1.9
212.04816	1.2
213.02058	1.2
223.04065	2.5
224.04836	2.6
225.02238	4.2
226.02748	1.7
227.00368	1.0
227.03506	3.0
229.01509	0.7
237.02005	0.7
239.03514	4.7
240.04387	0.9
241.01396	1.2
242.02249	1.2
251.03610	1.5
252.04306	12.2
253.01500	1.4
254.02287	1.9
255.03018	5.7
256.03616	0.6
267.03088	4.9
267.06665	10.4
268.03815	7.0
269.00946	1.1
270.01776	0.9
282.01828	1.9
282.05344	3.0
283.02545	6.7
283.06183	7.7
284.03217	1.3
284.06238	0.5
296.03592	0.6
297.00626	2.5
297.03738	0.8
298.01147	1.4
299.07260	0.6
301.05005	1.3
311.02060	3.9
312.02734	4.9
313.03238	2.7
315.05960	0.6
319.05908	0.6
325.05212	0.7
326.05753	1.0
327.05844	3.6
332.56369	0.6
341.04547	1.2
342.05164	1.1
343.06146	1.4
353.04077	0.5
354.05530	1.1
355.06042	1.4
356.07080	1.4
357.04089	1.0
369.04120	1.7
370.04553	2.5
371.05560	4.4
372.06403	1.2
384.06323	3.5
385.07114	2.8
386.07889	1.1
397.03357	1.0
398.04236	1.1
399.05017	5.9
412.05780	3.2
413.06583	3.7
414.07449	27.4
415.07910	1.7
425.02966	1.0
426.03897	2.8
429.09811	20.1
430.10172	2.0
440.05377	33.7
441.06073	15.1
442.06628	1.4
455.07733	42.9
456.08093	3.2
580.10175	6.0
581.10883	0.6
594.26678	9.3
595.12555	47.7
595.26459	12.0
596.12891	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	595.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10224	0.5
59.01379	6.5
61.98834	3.6
69.03516	0.5
69.39590	0.9
69.39993	3.3
71.01390	1.9
73.02950	0.7
78.27054	0.4
85.02983	1.0
87.63953	0.5
89.02470	0.7
93.03481	0.9
95.01417	2.6
96.96033	0.6
101.02464	1.1
107.01413	0.6
109.15202	0.5
109.30468	0.5
109.87899	0.5
113.02501	1.1
117.03452	0.5
121.03022	0.8
123.00900	5.1
124.01694	2.2
125.02486	1.0
132.02235	0.8
133.03027	0.5
148.01639	0.6
150.03201	2.5
151.00423	1.2
166.72484	0.5
177.02043	0.6
183.14023	0.5
211.04214	0.5
227.13025	0.5
253.01454	0.7
255.02994	0.7
273.05695	0.5
289.05139	0.9
301.05231	1.1
302.05798	0.6
303.06589	0.7
316.04004	0.7
317.04688	0.9
319.06427	0.7
329.04773	0.7
345.04153	1.2
346.04742	0.8
347.05933	0.7
354.05548	1.1
364.07794	0.6
373.03705	1.0
374.04486	1.3
375.05383	2.1
377.08493	1.0
378.09195	0.7
383.05542	0.7
390.04089	0.7
397.07498	0.7
402.03802	2.5
403.04654	7.4
404.05054	0.7
405.07788	1.0
406.08481	0.7
421.07111	1.1
422.08066	1.3
428.09467	0.9
429.02386	2.5
432.06601	0.9
433.07455	0.7
434.08081	1.0
441.06476	0.8
449.06259	0.8
450.07251	0.7
457.09406	1.0
461.06851	0.7
462.07687	0.8
465.10010	1.5
466.07449	0.6
478.07111	0.6
490.07266	0.9
491.08014	0.6
493.09671	2.1
503.07855	1.0
505.09415	1.6
506.06763	1.4
509.08960	1.8
519.07367	0.9
520.08173	0.7
521.08679	3.5
531.07672	0.7
534.06213	1.2
537.07983	3.1
548.07855	1.3
549.08240	13.0
550.08899	1.2
559.27362	1.0
563.10046	1.8
565.08215	1.9
567.09564	0.9
579.10034	0.9
580.10156	11.5
581.11139	1.3
595.12683	100.0
596.13025	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	595.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.98834	3.6
69.20898	1.0
69.21313	3.7
71.01376	0.8
73.48619	0.4
79.59005	0.4
79.95731	1.5
80.52038	0.4
80.96520	4.8
82.96106	0.6
91.46414	0.4
94.98120	0.5
96.96031	0.8
100.64254	0.4
111.00961	0.5
117.03506	0.4
125.02458	0.6
125.60085	0.5
132.02165	1.0
134.03745	1.2
142.20828	0.4
175.07680	0.8
177.03856	0.4
201.05638	0.5
205.64160	0.5
221.06082	0.5
225.00778	0.8
233.06032	1.2
239.03557	0.9
254.02200	0.6
260.04874	0.9
261.05563	3.3
262.06390	0.5
263.03632	0.6
263.06799	0.5
264.04333	0.5
267.03018	1.3
268.00250	0.7
268.03659	0.6
269.04510	0.5
276.04306	1.3
277.05142	2.7
278.05807	0.5
282.01712	1.3
282.05353	2.4
283.05939	0.8
284.06567	0.7
288.04327	1.0
289.05103	4.4
291.06656	1.1
292.03784	0.8
295.99698	0.6
297.04285	0.9
297.07617	1.3
303.06525	0.7
304.03857	1.5
304.07391	1.2
305.04575	3.8
306.05289	1.3
307.06061	0.9
316.03873	1.3
317.04596	1.2
318.05206	1.0
319.06137	1.2
320.06827	1.7
329.04120	0.4
331.02368	0.5
331.06128	1.3
332.03235	2.4
332.06729	1.0
333.04120	3.9
344.03055	0.8
345.04083	3.4
345.07632	0.6
346.04718	3.0
347.05542	2.4
348.06494	2.1
359.05661	1.0
360.02698	2.2
360.06537	1.1
361.03513	5.3
366.56305	0.5
373.03268	0.6
375.05212	4.1
376.05850	2.1
387.05057	1.4
388.02231	1.3
389.03003	7.2
390.03345	0.7
391.18973	0.8
403.04623	4.7
404.05374	36.4
405.05991	3.5
419.07797	15.2
420.07745	1.3
431.04150	3.2
445.05386	0.7
465.10086	0.6
476.03854	0.8
493.09332	0.6
509.08514	1.9
521.08850	1.4
523.10162	0.6
535.10242	1.3
537.08105	4.8
552.10663	9.8
553.10663	0.7
565.07819	1.8
567.13000	12.8
568.13513	1.4
580.10260	2.3
595.12500	100.0
595.26093	7.9
596.12830	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	595.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.8
61.01200	0.7
61.98835	2.0
71.01409	1.8
71.02650	1.3
79.95739	1.3
80.96523	3.5
81.95279	0.9
82.96089	0.9
94.98137	1.0
95.01405	1.6
96.95984	0.8
108.02172	0.7
123.00909	3.2
124.01657	0.9
131.75348	0.7
133.02948	2.2
135.00896	1.0
141.19397	0.7
148.01678	1.7
149.99574	1.7
152.01237	0.7
155.04991	0.7
167.05080	0.9
171.04456	1.4
175.07635	0.8
183.04538	3.6
185.02443	1.1
195.04526	2.2
198.03206	2.5
199.03998	1.9
209.06090	0.9
210.03271	0.8
211.03987	9.6
212.04477	1.1
213.01871	0.7
223.04047	1.5
224.04825	3.1
226.02710	4.9
227.03476	8.1
232.15800	0.7
238.02730	0.8
239.03520	9.6
240.04315	1.2
241.01225	0.9
241.05161	0.9
242.05811	1.0
252.04350	0.8
254.02179	5.8
255.03009	38.6
256.03445	1.3
267.03009	10.4
267.05994	1.3
268.03705	7.4
269.04572	6.6
270.05331	1.8
281.04675	1.0
282.01782	6.7
282.05347	13.9
283.02512	15.9
283.06122	11.9
284.02863	0.8
297.00656	1.5
297.04065	26.2
298.04843	100.0
299.05194	5.0
312.06387	3.9
313.07184	88.3
314.07520	4.4
522.26990	0.8
544.41962	0.7
549.08386	5.0
580.10065	13.9
581.10864	1.3
594.26489	3.2
595.12537	66.0
595.26141	7.6
596.12891	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	593.355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21962	2.3
59.01387	100.0
61.98840	42.7
69.85894	4.9
69.86299	9.1
71.01389	12.8
72.14098	2.8
73.02949	2.6
85.02951	6.1
87.00871	2.5
89.02497	2.8
96.96027	3.4
101.02455	6.7
104.50047	2.3
113.02444	8.4
134.10175	2.4
143.03355	2.4
224.01154	2.7
255.02934	3.0
284.03168	8.3
285.03970	9.7
345.30121	7.2
383.07434	3.1
409.39459	2.7
473.11630	2.8
489.34357	28.3
507.35275	15.0
593.15253	20.6
594.15393	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	593.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.9
59.01387	100.0
68.03253	1.8
71.01395	11.9
73.02941	3.7
82.99560	1.6
83.01394	3.6
85.02958	7.4
87.86552	1.9
99.00885	2.0
101.02441	9.2
113.02458	5.3
141.85002	1.8
187.76711	1.9
213.18642	2.4
299.26111	2.4
345.30029	7.5
349.39944	1.8
489.34326	71.3
490.34839	6.6
507.35455	37.1
508.35892	3.2
533.81531	2.1
549.36322	3.5
619.85492	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01115	0.7
59.01384	12.1
61.98839	2.7
67.01895	0.6
67.02528	0.5
68.99831	0.8
69.03446	0.5
71.01388	11.8
72.99310	4.0
73.02952	1.0
75.00873	10.6
78.98607	1.0
79.95745	2.7
80.96518	12.3
83.01396	0.5
85.02951	13.2
86.03221	0.5
87.00889	4.3
89.02441	2.7
91.04028	0.6
93.03414	0.7
94.98091	3.0
95.01402	3.2
96.96003	1.4
97.02946	0.8
98.19811	0.9
99.00891	5.1
101.02429	1.5
103.00367	1.7
106.98064	0.9
113.02459	12.1
115.00377	1.4
117.01937	1.2
119.05059	0.7
122.97594	0.8
125.02479	0.8
129.01939	0.7
131.03485	0.6
134.97586	0.9
135.84616	0.5
139.60406	0.5
141.12845	2.0
148.99121	0.9
152.98642	1.3
155.14400	2.4
164.98611	1.7
175.02495	1.6
185.03818	0.5
225.00690	2.3
227.03476	0.7
231.05055	0.9
249.06125	8.3
255.02980	1.2
267.07217	1.7
284.03223	2.0
285.04099	2.3
295.26401	1.0
297.28000	1.4
303.16058	0.6
325.27441	1.6
341.26990	0.6
343.28528	45.6
344.28970	2.6
353.06561	1.5
383.07370	0.5
461.28458	0.6
473.10742	0.5
485.10269	0.6
575.34106	1.6
593.15137	5.5
593.26227	16.8
593.35339	100.0
594.15863	1.2
594.26776	2.0
594.35651	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	593.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10162	0.3
65.68731	0.3
70.99953	0.7
114.67477	0.3
149.02490	0.5
149.06117	1.3
161.02434	0.6
167.03488	0.6
225.09229	26.7
226.09686	1.9
237.09218	7.3
238.09534	0.6
239.10825	0.5
240.11566	0.4
241.12325	0.5
265.12344	0.4
272.10590	0.7
281.08252	0.7
295.17056	41.3
296.17343	2.8
310.99936	0.3
328.60446	0.3
339.16025	100.0
340.16370	7.5
379.76550	0.3
473.11960	0.3
481.43243	0.3
516.25305	0.4
517.25122	2.6
589.26831	0.4
593.34705	5.2
594.34985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18056	0.3
61.60202	0.3
71.01391	0.6
77.45833	0.3
85.02962	0.8
108.02174	0.8
121.02950	0.4
123.04492	0.6
124.05350	0.4
135.04510	0.6
149.02505	0.6
149.06100	1.4
153.47633	0.3
157.03505	0.3
161.02422	0.5
167.03513	1.3
202.60551	0.4
217.15988	0.9
225.09229	33.0
226.09653	2.6
233.15497	0.5
235.16925	0.4
237.09239	8.7
238.09541	0.7
239.10799	0.6
241.12399	1.2
264.51913	0.3
271.19086	0.4
272.10654	0.5
281.08167	0.6
283.51764	0.3
293.15366	0.4
295.17059	39.8
296.17361	2.6
339.16025	100.0
340.16382	7.7
341.16663	0.4
593.15100	0.5
593.34729	8.5
594.35291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50657	0.2
66.67677	0.2
69.88298	0.4
69.88713	0.8
71.01408	0.4
71.97927	0.2
76.74389	0.2
79.04602	0.2
107.05087	0.2
121.02964	0.3
124.05314	0.4
134.03720	0.4
135.04492	0.6
137.34354	0.2
149.06108	1.4
161.02402	0.3
165.08376	0.2
183.13887	0.4
211.11368	0.3
217.16136	0.3
225.09230	28.1
226.09656	2.3
235.16895	0.3
237.09222	7.9
238.09561	0.4
239.10806	0.3
241.12379	0.9
252.37198	0.3
265.12500	0.3
272.10641	0.6
281.08151	0.6
295.17053	40.4
296.17392	2.6
339.16022	100.0
340.16360	7.6
356.15848	0.7
357.16364	0.3
358.43982	0.2
406.18646	0.2
593.34943	5.0
594.34546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01389	2.4
61.98836	2.1
68.85914	0.9
70.13857	0.9
71.55383	1.4
83.05045	2.2
88.96513	1.0
96.96005	1.8
97.06600	2.4
107.05036	7.8
108.02200	3.6
119.05031	1.8
121.02974	1.5
122.03728	1.3
123.04518	2.4
123.08212	1.6
131.40863	1.0
135.04536	21.2
137.09790	1.0
146.50401	0.9
149.02441	1.7
159.04482	1.1
161.02472	2.8
167.03525	2.9
175.07716	1.9
181.10291	1.2
185.06093	1.2
193.12384	2.3
204.86000	1.0
209.15492	3.0
211.07687	1.8
213.09218	2.3
219.06633	1.6
223.07657	4.8
224.08464	1.8
225.09225	15.4
226.10017	28.7
227.10643	1.8
236.86234	1.3
237.09224	7.7
239.07455	1.2
239.10767	5.5
239.16486	2.1
241.12352	46.1
242.12767	3.1
251.07120	5.0
252.07712	1.6
253.18141	1.2
256.07419	2.2
263.77759	1.1
267.10425	3.4
269.04950	1.4
269.08234	6.1
270.09006	3.6
281.08273	7.3
284.03375	2.4
285.04141	1.3
285.11337	14.0
293.15509	5.2
295.17038	3.9
303.13879	1.4
307.13492	1.1
311.16727	1.7
319.13525	1.2
323.12903	1.1
335.13266	1.5
337.14404	3.0
338.15408	2.0
339.16202	2.4
341.14359	1.0
347.20062	1.2
349.14459	1.2
353.06485	1.7
355.15527	22.3
356.16129	2.0
363.19580	2.2
391.19232	4.2
393.17078	2.7
407.18594	5.8
409.20184	2.9
423.17874	1.2
425.19650	5.0
441.19128	1.1
483.27737	1.5
549.34753	1.1
593.15131	6.2
593.34967	100.0
594.35303	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	593.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34585	0.6
52.95284	0.5
59.01375	1.7
59.47271	0.5
62.96418	0.6
69.62534	1.9
69.62943	1.6
69.98064	0.5
78.95912	67.0
96.96973	13.5
99.14942	0.5
99.21280	0.6
122.49873	0.6
130.34657	0.5
150.98042	1.0
152.99597	98.5
153.99934	1.0
171.00639	2.6
183.72699	0.6
209.11832	2.1
223.00148	9.9
240.98755	1.2
241.01208	23.2
250.33464	0.7
259.02362	1.5
259.20679	0.9
277.21747	47.8
278.21967	3.1
284.03033	0.7
315.01248	1.1
315.04901	17.9
316.05042	0.8
333.05783	0.6
501.87982	0.6
540.21948	0.7
578.51666	0.6
593.27325	100.0
594.27783	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	593.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.2
59.93120	1.2
61.98815	3.3
69.49032	2.8
69.49442	7.7
78.95911	69.9
83.04989	1.4
96.96009	1.8
96.96490	1.1
96.96964	14.4
105.03387	1.7
107.04971	3.0
108.02143	1.8
118.50711	1.1
119.05028	1.8
121.02927	4.0
123.00854	1.4
135.04514	1.7
145.61275	1.3
152.99599	65.3
161.02376	3.2
167.03320	1.8
173.06052	1.9
175.07593	2.5
182.12958	1.4
183.08041	3.2
203.06992	1.8
209.11716	5.2
212.08055	1.4
219.06577	1.5
223.00104	1.7
223.07442	2.3
225.09067	3.5
226.09877	1.5
227.10739	3.2
237.09062	3.4
239.10683	2.9
241.01198	33.5
241.08528	2.5
253.08427	2.2
255.02905	2.2
269.07977	2.3
277.12152	1.3
277.21768	50.5
278.22015	3.2
279.13892	1.6
281.08249	2.2
283.06305	2.0
284.03156	3.1
285.03799	3.8
285.06909	1.4
309.20325	1.7
315.05023	9.3
323.12888	6.6
341.13669	5.8
383.81772	1.5
389.17236	1.9
391.18878	3.5
407.18649	12.2
413.12836	1.5
413.21072	6.3
423.17914	2.3
425.19629	7.0
505.24915	1.5
575.29657	3.2
593.15027	5.2
593.27020	100.0
594.27429	7.7
614.93079	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	593.2642
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
52.42797	0.4
59.01379	1.0
61.98838	5.4
63.96248	1.1
64.38068	0.4
69.03432	0.5
70.59255	1.0
71.01388	5.5
73.02954	1.3
78.98596	5.0
79.95744	8.4
80.96526	59.6
81.03477	0.9
85.02959	2.5
87.00879	2.6
94.98098	12.8
96.96019	1.0
97.02962	1.1
99.04543	0.4
101.02457	2.2
103.01026	0.4
106.98120	2.5
120.02175	0.8
121.02972	66.2
122.03313	1.4
122.97620	2.4
125.02454	2.5
134.97591	4.0
136.99178	1.1
148.99155	5.6
150.89883	0.4
152.98663	5.5
164.98654	9.6
165.01900	2.7
181.06572	1.4
197.06065	1.5
206.99806	2.2
207.04660	0.6
209.04568	39.8
210.04849	1.8
221.48180	0.4
225.00755	12.4
225.05634	1.2
235.17021	0.4
251.50829	0.4
284.03247	0.7
299.04486	2.9
313.07227	1.3
357.06171	0.6
383.07706	1.1
417.09674	0.9
505.11383	2.5
549.10400	4.6
570.06696	0.4
593.13379	5.3
593.26379	100.0
594.14337	0.9
594.26752	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	593.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38269	0.6
57.03441	2.2
59.01384	19.6
61.98821	1.8
67.11092	0.6
71.01386	9.0
72.99289	1.3
73.02932	2.9
74.68350	0.7
75.00871	2.1
83.01376	1.2
85.02972	4.0
87.00855	2.1
88.98779	1.7
89.02448	3.9
91.01894	1.4
93.03465	12.5
97.26737	0.7
98.20654	1.6
99.00847	0.8
101.02447	4.6
113.02441	2.4
119.01402	4.5
119.05008	0.8
121.02966	3.3
123.04538	0.9
133.02928	1.5
134.03743	1.3
135.04485	1.7
136.07506	0.6
137.02458	21.0
137.09726	0.7
138.02003	8.2
147.00909	4.6
147.04509	1.0
149.02458	14.3
149.04440	1.2
150.03224	0.8
151.48703	0.6
152.01100	1.5
161.02394	1.3
161.04413	0.7
163.04015	3.2
164.04807	15.1
165.01881	1.4
165.05586	0.9
167.03520	1.4
175.00377	31.1
176.00784	1.0
177.01891	2.1
179.03587	0.7
179.07132	1.5
184.20357	0.7
189.01854	1.3
190.02736	82.7
191.03227	3.6
205.05072	74.9
206.05353	2.9
207.02829	0.8
209.04437	2.4
221.08144	1.2
223.06136	23.7
224.06418	0.8
227.03464	0.7
251.05659	0.9
255.02832	1.6
265.07108	2.5
284.03238	2.8
285.04013	1.9
417.10269	1.1
435.34586	0.8
441.83200	0.7
441.98358	0.8
461.23544	0.7
507.28314	0.7
533.29944	1.1
549.28961	2.9
578.23267	1.4
593.25818	100.0
594.26093	10.0
595.73383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57123	0.2
59.01385	4.1
69.26385	1.4
69.26821	1.3
71.01391	1.9
73.02970	0.8
75.00877	0.5
83.01395	0.6
85.02975	0.8
86.64725	0.3
87.00864	0.4
89.02458	0.8
90.98617	0.4
93.03487	0.8
96.96021	3.6
97.02961	0.3
98.20782	0.5
99.00887	0.4
99.04564	0.4
99.27515	0.3
101.02470	1.1
107.01416	0.6
109.02948	0.3
113.02486	1.0
117.03471	0.5
119.03547	0.3
121.02967	2.5
122.03763	0.6
125.02531	0.3
135.00938	0.3
135.04585	0.6
136.05281	0.5
137.02444	1.0
139.00351	0.8
145.02974	1.8
147.04530	2.0
149.04526	0.3
151.00471	0.6
153.02005	0.8
158.03770	0.5
159.04494	0.5
160.01576	0.3
161.04744	0.3
161.06122	0.5
163.04008	4.3
164.04686	0.3
165.01938	1.0
165.05614	0.3
167.03473	0.5
171.04570	0.3
173.02417	0.7
173.06111	0.5
174.03253	2.3
175.04019	14.8
176.04820	3.6
177.05568	1.3
179.03581	0.6
180.04303	7.1
181.05028	0.4
185.06050	0.4
187.04140	0.4
188.04819	3.5
189.05580	6.7
190.06363	18.3
191.03555	0.6
191.07143	13.3
192.04306	0.8
192.07477	0.6
193.05077	8.8
194.05864	4.5
201.02039	0.3
203.07109	1.8
205.08717	16.6
206.09047	0.8
207.06622	4.4
208.07416	15.9
209.07803	0.8
211.04027	0.6
213.05403	0.4
222.08998	2.5
223.05963	0.3
223.09807	1.7
227.03516	4.7
228.04002	0.4
229.05066	1.8
241.05130	0.3
251.13010	0.6
255.02994	7.7
256.03610	0.9
257.04593	1.4
269.04239	0.4
284.03290	11.4
285.04062	16.5
286.04431	0.9
297.07852	0.4
314.11414	0.4
344.12631	2.9
353.06757	0.5
359.15027	100.0
360.15369	7.9
383.07797	0.6
389.16241	1.5
413.18011	0.4
431.18665	0.8
447.09586	0.7
477.32288	0.3
593.15179	19.0
593.24591	1.2
594.15735	2.2
594.24402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57123	0.2
59.01385	4.1
69.26385	1.4
69.26821	1.3
71.01391	1.9
73.02970	0.8
75.00877	0.5
83.01395	0.6
85.02975	0.8
86.64725	0.3
87.00864	0.4
89.02458	0.8
90.98617	0.4
93.03487	0.8
96.96021	3.6
97.02961	0.3
98.20782	0.5
99.00887	0.4
99.04564	0.4
99.27515	0.3
101.02470	1.1
107.01416	0.6
109.02948	0.3
113.02486	1.0
117.03471	0.5
119.03547	0.3
121.02967	2.5
122.03763	0.6
125.02531	0.3
135.00938	0.3
135.04585	0.6
136.05281	0.5
137.02444	1.0
139.00351	0.8
145.02974	1.8
147.04530	2.0
149.04526	0.3
151.00471	0.6
153.02005	0.8
158.03770	0.5
159.04494	0.5
160.01576	0.3
161.04744	0.3
161.06122	0.5
163.04008	4.3
164.04686	0.3
165.01938	1.0
165.05614	0.3
167.03473	0.5
171.04570	0.3
173.02417	0.7
173.06111	0.5
174.03253	2.3
175.04019	14.8
176.04820	3.6
177.05568	1.3
179.03581	0.6
180.04303	7.1
181.05028	0.4
185.06050	0.4
187.04140	0.4
188.04819	3.5
189.05580	6.7
190.06363	18.3
191.03555	0.6
191.07143	13.3
192.04306	0.8
192.07477	0.6
193.05077	8.8
194.05864	4.5
201.02039	0.3
203.07109	1.8
205.08717	16.6
206.09047	0.8
207.06622	4.4
208.07416	15.9
209.07803	0.8
211.04027	0.6
213.05403	0.4
222.08998	2.5
223.05963	0.3
223.09807	1.7
227.03516	4.7
228.04002	0.4
229.05066	1.8
241.05130	0.3
251.13010	0.6
255.02994	7.7
256.03610	0.9
257.04593	1.4
269.04239	0.4
284.03290	11.4
285.04062	16.5
286.04431	0.9
297.07852	0.4
314.11414	0.4
344.12631	2.9
353.06757	0.5
359.15027	100.0
360.15369	7.9
383.07797	0.6
389.16241	1.5
413.18011	0.4
431.18665	0.8
447.09586	0.7
477.32288	0.3
593.15179	19.0
593.24591	1.2
594.15735	2.2
594.24402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67640	0.3
57.03470	0.3
59.01118	0.3
59.01386	4.1
61.98843	0.3
69.61122	1.4
70.64559	0.3
71.01391	1.4
72.99284	0.3
73.02953	0.6
75.00861	0.4
83.01396	0.3
85.02956	0.7
88.98804	0.4
89.02451	0.6
96.96020	1.8
99.00877	0.4
101.02438	1.0
103.30566	0.3
113.02463	1.0
123.04508	0.4
133.02916	0.4
135.03008	0.4
147.04524	0.3
151.00385	0.4
161.04619	0.3
165.07097	7.0
167.03555	0.4
167.05031	2.6
195.05078	0.5
209.06088	100.0
210.06421	4.6
227.03535	1.1
229.05070	0.3
233.06126	0.9
251.06963	0.2
255.02945	2.0
269.04572	1.0
271.02582	0.6
284.03302	2.8
285.04083	5.3
286.04471	0.4
293.04437	0.4
300.02829	1.1
359.15045	0.3
371.11362	24.4
372.11984	1.4
383.94022	0.3
431.19266	0.7
447.09271	1.1
513.93439	0.3
549.28784	0.5
593.15253	5.2
593.30023	0.9
594.15546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03474	1.1
107.01397	1.7
135.00897	1.3
151.00378	1.9
159.04575	0.8
160.81805	0.8
163.00409	1.8
171.04445	0.9
180.26726	0.8
183.04514	1.0
185.06163	1.0
187.04047	2.5
189.05585	1.3
197.06096	1.0
199.04083	1.2
211.03969	1.9
227.03513	28.8
227.05774	1.5
228.03870	1.7
229.05029	9.0
229.55746	0.8
241.05150	1.3
249.30467	1.1
255.03006	44.1
256.03589	5.4
257.04587	5.7
267.02933	0.8
284.03278	45.4
285.04053	73.3
286.04370	3.8
327.05045	0.9
593.15149	100.0
594.15656	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76247	0.5
59.01387	1.2
65.00347	0.6
69.34959	5.1
83.01398	0.8
86.09625	0.6
87.58417	0.6
89.91700	0.6
92.18165	0.6
107.01402	2.1
107.98896	0.5
132.02171	1.0
133.02994	1.2
151.00389	3.0
175.03981	0.7
178.90460	0.6
183.04358	0.6
187.03973	0.8
199.04047	0.7
200.04962	0.7
202.49030	0.6
211.03976	1.6
213.05583	0.8
214.54472	0.6
227.03522	25.2
228.03905	1.6
229.05095	3.9
239.03470	1.6
248.13348	0.6
255.03017	50.4
256.03662	5.5
257.04465	2.1
284.03293	67.8
285.04037	40.4
286.04379	2.8
327.05170	1.2
593.15155	100.0
594.15515	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	593.1516
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
59.01369	0.8
70.69816	1.2
71.77892	0.5
72.76882	0.6
79.01872	0.5
83.01389	0.6
93.03477	1.2
95.01370	0.7
108.74206	0.6
117.03467	6.8
119.05011	1.8
131.05042	0.7
135.04549	3.5
145.02870	0.7
147.04475	0.9
149.02357	0.7
149.06018	0.7
159.04529	0.8
161.02458	2.7
163.04033	2.6
173.02493	0.7
175.04024	2.3
177.01883	0.8
177.05540	1.5
185.02524	0.5
185.05850	0.6
187.04060	0.8
188.31479	0.5
189.01964	0.9
191.03479	1.8
193.89261	0.6
197.06076	0.9
198.98035	0.6
199.57808	0.6
203.03415	1.5
217.05090	0.7
227.03555	0.6
237.05429	1.0
251.07112	0.6
253.08702	0.9
267.06693	1.0
268.07291	1.4
279.06555	0.6
281.04520	1.8
281.07770	0.6
282.05316	3.1
283.06137	3.2
295.06125	5.7
296.06946	2.7
297.07687	24.2
298.08005	1.7
307.06140	2.9
309.07666	2.3
311.05627	3.1
323.05606	3.1
323.09027	0.8
324.06500	1.1
325.07175	7.6
328.05963	3.4
335.05518	1.2
337.07147	3.1
351.05136	0.9
353.06689	27.1
354.07062	1.7
355.08524	0.9
356.05521	0.9
365.06586	3.4
383.07721	15.7
384.08255	1.0
395.07599	2.0
413.08728	1.8
473.10925	15.6
474.11215	1.5
503.11935	3.8
575.13654	0.8
593.15118	100.0
594.15479	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	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99627	0.5
54.19572	0.5
55.01875	0.7
57.03452	1.3
58.00601	1.6
59.01385	47.1
69.94186	0.5
71.01383	24.1
72.47766	0.5
72.99318	2.1
73.02943	1.8
75.00882	1.2
81.20811	0.5
83.01404	2.0
85.02962	5.8
87.00874	1.5
89.02454	18.4
93.03456	0.6
95.01410	1.7
96.96034	1.1
99.00845	0.8
101.02454	12.6
107.01409	0.7
108.02206	0.6
109.02962	0.5
113.02458	7.3
117.03465	7.2
119.03506	6.1
131.01378	2.4
131.03552	0.7
138.98193	0.5
143.03470	0.6
145.02971	0.6
151.00346	0.9
161.02478	1.6
161.04539	0.9
163.00388	0.8
163.04010	0.7
173.02406	2.8
175.00378	8.6
179.05646	0.6
183.04514	0.8
201.21721	0.5
211.04002	1.5
213.05548	1.0
225.05748	0.7
227.03543	3.2
237.05635	1.0
245.09349	1.2
249.05566	0.6
253.05022	0.7
254.06085	0.6
255.02977	15.7
256.03613	1.6
265.05017	0.8
268.03876	0.6
269.04538	5.5
281.04547	4.4
282.05286	4.0
283.02542	31.1
283.06018	4.8
284.03189	6.5
285.04080	22.5
285.06628	0.4
286.04459	1.4
293.04575	100.0
294.04944	5.6
295.06137	2.4
297.07663	0.9
307.06210	0.8
311.05652	9.0
312.06256	1.6
314.04309	2.3
323.05634	6.4
335.05630	3.1
341.06680	4.4
353.06693	2.5
355.08044	0.9
383.07639	1.6
395.07724	1.0
413.08795	63.7
414.09171	5.2
430.09140	6.1
431.09766	12.4
447.09332	10.3
448.09409	1.1
473.10999	5.7
499.16599	0.6
503.12067	1.2
533.26459	3.0
551.26843	1.4
593.15125	98.4
594.15448	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	593.1439
Annotation	Amentoflavone 7,4',7'',4'''-tetramethyl ether
Peak:m/z	Relative Intensity
52.21371	3.1
57.03447	4.8
59.01385	100.0
61.14434	3.1
61.98830	25.1
68.73203	2.8
71.01389	28.2
71.54192	3.3
72.99300	4.7
73.02945	12.1
75.00886	5.1
83.01382	5.2
85.02970	16.9
87.00905	4.9
88.98825	7.2
89.02468	14.8
95.01401	5.0
96.96031	15.4
99.00863	4.4
101.02451	17.3
103.71843	3.0
108.02174	3.8
109.02969	5.9
111.00905	3.1
113.02459	14.5
114.02786	3.5
117.03493	3.9
119.03547	5.3
121.02981	7.5
125.02460	6.7
133.02904	4.1
135.03011	6.6
137.02415	3.5
145.03040	4.5
149.02545	4.5
149.04610	9.6
151.00400	5.7
161.02385	4.6
161.04575	4.2
163.78996	2.9
175.04077	4.0
177.01935	3.4
227.03619	5.4
227.07083	3.5
237.05623	4.6
242.05714	5.8
255.02986	9.0
255.06648	8.7
257.08145	4.3
284.03348	17.0
285.04095	26.9
297.07703	4.3
299.79660	3.2
309.07516	4.0
345.26321	4.3
351.10617	3.5
353.06693	8.8
377.10272	11.9
383.07605	5.6
395.11551	15.0
489.34366	15.7
507.35388	5.4
533.31799	3.2
549.32739	3.0
575.21411	3.8
593.15088	51.1
593.24310	4.5
593.29077	4.7
610.87457	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	593.1308
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.76898	0.4
59.01386	4.2
59.73378	0.3
61.98833	0.7
63.02412	1.4
65.00337	1.3
69.41222	3.0
71.01381	1.6
73.02950	1.1
76.20785	0.5
83.01408	0.8
85.02956	0.5
96.96026	1.0
101.02445	0.9
107.01415	1.8
109.02935	0.7
113.02475	0.5
117.03468	6.9
119.05055	2.2
121.03004	0.9
133.02971	5.0
134.03769	0.4
135.04550	0.7
145.01903	0.7
145.02971	12.8
149.02444	1.7
149.04640	0.6
151.00398	4.0
151.03979	0.5
163.03972	1.0
175.04005	3.1
177.01883	0.8
183.04529	0.5
185.77713	0.5
197.06068	0.6
199.04018	2.5
201.01996	0.9
217.05112	1.1
227.03532	0.8
229.04919	0.5
241.05058	1.0
243.02959	1.6
253.05164	1.0
254.05388	0.8
255.03006	0.8
255.05568	0.5
256.03732	1.6
257.04495	0.8
259.03455	0.5
284.03296	19.9
285.04062	100.0
286.04401	4.8
391.27567	0.6
489.30621	0.6
521.67010	0.5
549.29193	0.9
568.12427	0.5
593.13049	74.0
594.13422	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	592.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15458	0.2
59.01387	1.0
61.98838	100.0
69.19965	1.3
69.20401	1.2
71.01406	0.4
79.95770	0.4
80.96533	1.8
94.98087	0.3
96.96035	0.3
121.02991	0.4
149.73518	0.3
164.98657	0.4
225.00691	0.3
238.89302	0.3
283.06165	0.8
284.03320	0.5
285.04074	0.7
294.21567	0.6
309.04291	0.4
354.03247	0.3
514.66650	0.3
592.26923	0.3
593.15643	1.4
593.26855	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	592.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.6
61.98838	100.0
63.96238	0.5
69.74825	1.9
71.01398	2.6
73.02972	0.5
75.00880	0.4
78.98623	0.9
79.95740	5.4
80.96525	11.6
82.10582	0.4
85.02980	0.9
87.00851	0.7
94.98093	2.4
96.96021	0.6
97.02975	0.4
101.02479	1.0
108.14865	0.4
113.02444	0.5
122.97585	1.0
125.02525	1.0
134.97641	1.2
136.99164	0.6
148.99176	1.0
152.98672	1.0
164.98647	2.2
225.00760	2.9
247.53012	0.4
255.03137	0.9
284.03311	1.1
285.04053	1.9
299.04980	0.4
342.26581	0.5
343.28522	1.0
353.06985	0.6
383.08328	0.4
506.34424	0.5
548.35181	2.3
569.65454	0.4
592.24969	0.9
593.15680	3.4
593.26337	22.6
593.34967	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	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23049	0.2
53.04862	0.3
59.01389	0.4
61.98830	0.7
64.58494	0.3
69.17276	1.0
69.17707	1.9
71.01390	1.4
77.03986	0.4
78.98606	1.1
79.95737	2.1
80.96521	11.9
85.02975	0.7
87.00884	0.5
93.03437	0.3
94.98083	2.6
101.02432	0.5
106.98118	0.5
120.02177	0.9
121.02965	100.0
122.03275	2.3
122.97592	0.4
125.02453	0.5
134.97591	1.1
136.01700	0.3
136.99135	0.3
148.99144	0.8
152.98683	1.3
164.98637	2.4
165.01950	4.2
180.05791	0.5
180.42116	0.3
181.06609	2.0
197.06079	1.9
206.99730	0.6
207.04486	0.6
207.08110	0.4
209.04561	56.3
210.04980	1.6
223.04071	0.3
225.00748	2.9
225.05592	1.5
232.19148	0.3
257.09753	0.4
285.03690	0.3
299.04428	0.6
301.08591	0.3
313.07111	1.9
357.06207	1.0
383.07880	1.3
401.09100	0.4
417.09845	1.3
468.52603	0.3
486.31665	0.3
495.36179	0.3
505.11267	3.1
549.02692	0.6
549.10516	6.4
550.10748	0.8
593.13092	10.8
593.26355	20.2
594.13275	1.4
594.26447	1.6
595.14685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.7
59.01377	3.5
61.98825	3.0
62.60584	1.4
70.55475	4.0
72.80247	1.7
81.52209	1.6
88.79516	1.5
107.05023	5.7
109.02981	1.6
110.73494	1.5
125.02418	1.6
129.81517	1.5
135.04558	10.3
143.06265	1.6
167.03494	4.4
179.10831	3.1
197.11847	3.9
203.07066	2.2
211.11482	2.2
217.16039	1.9
219.06607	2.5
223.07700	4.0
224.08464	13.2
225.09285	8.8
226.09975	18.3
227.10669	2.5
235.79721	1.5
237.18562	3.0
239.10851	15.0
241.12367	30.5
251.10725	1.6
255.06821	2.4
256.07452	2.7
269.08246	4.8
280.72342	1.7
285.11325	4.2
293.15518	9.1
295.17084	2.9
309.14993	11.5
311.16611	2.3
339.16217	3.2
355.15540	25.0
356.15750	2.0
387.40488	1.8
489.30402	3.0
547.34521	2.0
591.33484	100.0
592.33862	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	591.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06900	3.8
59.01384	100.0
67.81247	3.3
70.71594	6.7
70.71951	6.3
71.01395	12.7
73.02962	5.3
79.19297	3.1
83.01394	7.1
85.02970	5.0
95.01394	3.7
97.23486	3.1
98.20680	3.8
101.02435	9.8
113.02431	6.3
161.04613	3.8
180.31995	3.6
224.14702	3.3
237.19298	3.3
313.08817	7.8
357.22989	7.7
375.23959	9.6
487.32922	56.3
488.33380	5.8
505.33911	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	591.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12560	0.2
59.01373	0.4
61.98834	0.4
71.05007	0.3
86.91622	0.3
90.99014	0.3
96.96067	0.3
107.05027	0.3
116.92900	0.4
125.06070	0.3
134.03720	0.3
135.04553	0.5
142.80531	0.2
149.02451	0.7
149.06094	1.5
153.12857	0.4
161.02414	0.6
162.29002	0.3
189.09151	0.2
191.10779	0.3
223.07706	0.5
225.09227	34.8
226.09607	2.3
233.15363	0.6
235.07774	0.4
237.09221	10.5
238.09560	0.7
239.10788	0.6
241.12321	0.8
251.07129	0.4
251.16542	0.3
272.10657	0.8
280.14835	0.3
281.08154	0.5
293.15518	1.0
295.17044	43.0
296.17426	2.7
321.14954	0.3
339.16016	100.0
340.16382	7.2
355.15488	1.2
375.19476	0.3
393.21054	0.3
419.18433	0.3
437.19824	0.5
529.33093	0.8
573.19824	0.5
573.32129	2.6
591.33221	6.9
592.33789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60374	0.2
60.42651	0.3
84.05595	0.2
106.70441	0.2
107.05072	0.7
107.84261	0.2
108.02224	0.3
134.03745	0.4
135.04562	0.9
149.02498	0.5
149.06058	1.5
160.59109	0.3
161.02489	0.4
211.11357	0.3
212.08388	0.3
223.07797	0.6
225.09224	36.2
226.09760	3.1
233.15443	0.4
237.09216	8.4
238.09615	0.5
239.10782	0.8
240.11540	0.5
241.12369	2.0
265.12537	0.3
272.10498	0.9
279.13953	0.4
281.08228	0.8
293.15442	0.8
295.17053	42.2
296.17432	2.9
337.14603	0.3
339.16022	100.0
340.16379	6.8
353.14130	0.4
355.15549	2.7
423.21921	0.4
435.90643	0.3
452.02048	0.3
573.32465	1.3
591.33215	6.8
592.33704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11103	0.7
56.21136	0.5
57.91776	0.6
61.98830	0.8
94.99225	0.6
100.18507	0.7
131.83987	0.6
225.09247	1.4
226.09987	0.9
229.48732	0.8
239.54051	0.8
295.16992	0.8
339.15961	2.8
354.67227	0.7
355.15668	1.4
443.22681	1.9
444.18958	1.0
445.20041	1.5
456.23373	0.8
459.22049	2.8
471.25583	2.1
472.23047	1.6
473.23773	0.9
482.21149	1.3
485.19788	1.4
487.24930	2.2
497.23663	3.3
499.21265	3.4
500.22241	11.3
501.22437	2.0
515.24573	100.0
516.24896	13.2
519.24023	0.9
559.23706	3.0
591.33319	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	591.262
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.97518	1.7
75.47953	0.3
105.58017	0.4
106.06618	0.5
168.30998	0.3
225.09317	0.5
339.15833	0.9
396.17065	0.5
429.21127	0.5
443.22723	2.7
444.13803	0.4
444.19293	0.9
445.20392	1.1
447.25995	0.5
455.22711	0.4
456.23157	0.8
457.20486	0.5
458.21442	0.4
459.21851	2.2
460.23026	0.4
462.20825	0.8
469.34088	0.4
471.26718	2.9
472.22983	1.2
473.23575	1.1
482.20938	1.9
484.19061	0.5
485.20099	2.1
486.19702	0.4
487.25784	2.9
488.22467	0.4
489.23248	0.5
496.22873	0.5
497.23499	3.7
498.23907	0.4
499.21463	4.2
500.14752	0.6
500.22192	12.6
501.22632	1.2
503.20935	0.5
504.21567	0.5
513.23315	0.7
514.23785	1.4
515.24561	100.0
516.17535	0.8
516.24915	9.4
518.23584	0.6
519.23895	0.9
547.27576	0.5
559.23474	3.6
560.23694	0.6
591.33917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03764	1.1
53.26287	1.0
57.03452	1.7
59.01384	20.0
60.59635	1.0
60.92673	1.0
67.47626	0.9
69.70737	5.4
70.12124	1.1
71.01385	9.4
73.02962	7.2
78.86932	1.1
85.02983	2.7
85.16579	0.9
87.00872	1.2
89.02458	9.6
93.03495	1.4
97.60151	1.0
98.20577	1.3
99.04530	1.3
101.02451	4.0
108.02220	1.2
109.03006	1.4
111.30647	1.0
113.02460	3.5
121.02972	2.3
122.03796	1.2
123.00913	1.8
125.02528	1.1
131.03493	2.7
136.01682	47.1
137.02478	7.6
149.02560	1.2
149.04570	25.7
151.00427	9.6
151.04018	52.2
152.04623	1.2
160.91014	1.3
161.04613	1.8
166.02728	29.2
175.03975	1.1
177.02049	1.1
181.03468	1.9
181.05083	38.3
182.05418	1.8
229.12309	1.1
329.10327	1.5
357.09772	13.3
372.11984	9.1
387.14523	100.0
388.14899	7.6
418.39001	1.1
530.40710	1.1
547.27924	1.8
591.30042	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	589.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.2
59.01385	100.0
61.68880	1.9
61.98827	6.4
69.03461	2.6
70.10524	7.7
70.46061	2.1
71.01393	21.9
72.99320	2.4
73.02947	10.3
75.00883	3.6
80.91744	2.7
82.95412	4.0
83.01395	7.2
85.02951	16.6
87.00912	2.6
89.02452	10.4
93.03462	1.9
95.01390	2.4
96.96030	9.8
98.20020	2.3
98.89059	2.2
99.00882	4.9
101.02432	16.2
103.66134	2.0
107.05092	2.2
113.02472	14.1
113.08788	2.0
119.05044	6.6
123.08139	2.1
125.02477	2.5
131.03467	2.9
135.02986	2.8
137.02504	3.3
143.03490	3.2
145.02956	2.8
149.04570	7.9
161.04616	5.1
163.04050	12.1
171.10188	2.7
209.11923	4.0
213.09196	3.3
213.15773	2.6
280.62988	2.2
291.19586	3.9
341.27112	2.6
355.21246	3.3
373.22119	2.8
409.13055	2.8
415.23080	2.5
457.24567	7.7
467.30621	3.1
471.26141	19.3
472.26859	2.4
485.31238	23.7
486.31372	3.0
503.32294	14.6
529.30371	2.3
547.30963	3.1
568.98584	2.2
589.29047	6.5
590.28607	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	591.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03764	1.1
53.26287	1.0
57.03452	1.7
59.01384	20.0
60.59635	1.0
60.92673	1.0
67.47626	0.9
69.70737	5.4
70.12124	1.1
71.01385	9.4
73.02962	7.2
78.86932	1.1
85.02983	2.7
85.16579	0.9
87.00872	1.2
89.02458	9.6
93.03495	1.4
97.60151	1.0
98.20577	1.3
99.04530	1.3
101.02451	4.0
108.02220	1.2
109.03006	1.4
111.30647	1.0
113.02460	3.5
121.02972	2.3
122.03796	1.2
123.00913	1.8
125.02528	1.1
131.03493	2.7
136.01682	47.1
137.02478	7.6
149.02560	1.2
149.04570	25.7
151.00427	9.6
151.04018	52.2
152.04623	1.2
160.91014	1.3
161.04613	1.8
166.02728	29.2
175.03975	1.1
177.02049	1.1
181.03468	1.9
181.05083	38.3
182.05418	1.8
229.12309	1.1
329.10327	1.5
357.09772	13.3
372.11984	9.1
387.14523	100.0
388.14899	7.6
418.39001	1.1
530.40710	1.1
547.27924	1.8
591.30042	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	589.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06614	1.9
56.86725	1.4
58.00584	2.1
59.01385	100.0
63.19151	1.6
69.03471	2.4
69.72679	10.0
69.72963	2.3
71.01392	37.7
72.99294	4.0
73.02954	57.5
75.00871	4.1
81.03482	1.9
83.01389	12.8
85.02954	7.8
87.00902	4.7
89.02448	16.0
95.01391	4.3
96.11658	1.9
96.96024	17.1
96.96576	2.9
98.20586	3.6
101.02448	53.8
101.03117	3.3
102.31573	1.7
113.02460	23.7
119.03518	6.8
125.02537	2.8
131.03493	5.0
134.03764	5.2
135.02977	9.0
143.03513	5.8
143.04655	1.7
149.04568	10.6
161.04584	17.4
163.06145	7.8
193.05084	2.2
203.05673	2.8
221.06644	7.8
233.15515	16.1
249.06114	4.2
265.28314	1.9
287.16501	2.8
311.93234	1.8
337.53375	2.0
413.12994	4.4
455.22818	4.2
501.15378	2.0
501.30750	2.4
519.02197	1.8
589.17871	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	589.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.4
58.00591	1.1
59.01384	26.7
61.98827	3.4
64.52613	0.7
66.31821	0.8
67.01894	0.9
69.03450	1.2
71.01388	14.7
71.54774	0.9
71.55189	1.0
72.99308	3.3
73.02950	2.2
75.00882	9.3
75.01577	0.9
81.07095	1.7
83.01377	1.9
83.05039	1.5
85.02957	15.1
87.00877	3.7
89.02460	4.0
95.01385	2.7
96.96010	2.8
99.00895	5.8
101.02443	2.5
103.00354	0.9
109.02940	1.1
113.02459	17.3
115.00378	0.9
117.01936	1.3
123.08176	1.0
129.01944	0.9
149.04501	1.9
163.66440	0.8
169.12392	5.9
175.02495	1.9
195.17549	6.1
197.11810	4.9
205.07225	1.3
209.11856	11.0
227.12878	1.2
239.16522	2.3
249.06149	12.0
267.07211	16.5
339.25278	3.0
457.26566	0.9
485.30505	0.8
525.26923	6.1
529.33826	1.0
557.29858	4.4
571.31848	1.1
589.32324	100.0
590.32538	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	589.1931
Annotation	Amorphigenol O-glucoside
Peak:m/z	Relative Intensity
57.03448	1.4
58.00583	1.8
59.01386	51.0
62.99628	0.8
67.01902	1.6
69.51497	3.8
71.01389	37.2
71.05025	0.8
72.99316	3.0
73.02943	4.2
75.00883	0.9
83.01394	2.5
85.02959	7.5
87.00890	2.1
88.98824	1.1
89.02451	35.6
89.03987	1.1
95.01380	2.5
95.06496	0.7
96.95992	2.4
98.20689	0.8
99.00875	1.9
101.02459	20.9
107.05061	1.4
109.02958	2.2
113.02458	13.5
119.03522	13.2
119.06205	0.7
121.02972	2.4
121.33724	0.8
123.00924	4.6
123.04492	1.3
125.02484	1.0
131.03528	2.3
133.02959	8.3
135.04503	3.4
137.02461	0.8
138.03210	3.2
143.03493	2.2
149.02444	4.8
149.04521	3.9
150.02638	0.7
153.05650	0.9
157.06596	8.3
159.04489	1.5
161.02457	8.5
161.04514	6.2
167.03537	0.8
170.97545	0.8
175.04059	1.3
175.07663	5.2
177.01938	42.6
178.02301	1.6
179.05650	4.7
191.03511	1.9
192.04301	50.5
193.04671	1.8
193.08720	2.0
197.04474	0.9
201.05597	14.4
203.07123	1.2
207.06641	40.3
208.06976	0.9
213.09222	1.5
219.06482	1.6
228.49937	0.8
229.08603	1.0
255.06627	1.4
285.91034	0.8
293.04745	1.1
298.71066	0.8
308.06873	1.5
323.05548	2.6
337.07214	1.0
338.07974	1.4
351.08710	4.0
353.10297	5.1
355.14017	1.0
361.07080	1.5
364.09763	0.9
365.10260	1.6
367.11755	1.8
377.10330	1.4
379.08185	6.6
381.11728	2.8
391.11780	3.7
393.09805	1.9
394.10587	4.7
397.12909	0.9
409.12933	100.0
410.13278	10.5
411.14658	3.9
427.14178	4.6
428.14822	0.8
457.24490	1.4
486.44098	0.8
529.30243	1.4
547.18152	1.5
559.18121	0.9
589.19250	52.0
590.19904	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	589.1931
Annotation	12-Dihydrodalbin
Peak:m/z	Relative Intensity
52.53130	0.6
55.01865	0.9
57.03446	1.2
59.01387	23.7
61.98825	1.1
62.26316	0.7
64.49950	0.5
65.00325	1.4
68.99809	0.8
69.30264	5.0
71.01389	11.7
71.05009	0.7
72.99319	1.0
73.02946	2.1
75.00820	0.7
83.01402	1.6
85.02962	3.1
87.00875	1.0
89.02447	5.5
93.02006	0.5
95.01391	1.6
96.95995	2.0
99.00879	1.1
99.04546	1.3
101.02460	5.6
103.05559	0.7
103.16384	0.5
107.05036	1.3
111.00957	0.6
112.98764	0.6
113.02462	3.9
119.03522	1.7
119.05038	0.9
120.98615	0.6
121.83997	0.5
123.08163	1.1
124.15931	0.6
125.02435	2.0
129.07103	0.8
130.74388	0.5
131.03555	0.7
131.05025	2.0
133.02983	1.9
133.14841	0.6
134.03734	0.6
137.11583	0.7
137.12567	0.6
147.08168	1.3
149.02412	0.6
149.04681	1.3
149.06084	2.9
152.01176	0.6
156.42284	0.6
161.02480	9.1
161.06070	0.8
162.06902	1.3
163.00377	1.1
165.01952	1.2
173.06087	2.7
175.04018	1.6
176.04813	0.6
177.01915	3.9
187.00443	0.9
189.05518	1.6
190.06383	1.7
191.07155	3.9
203.03494	1.4
217.05049	8.5
218.05783	2.3
219.06635	1.4
227.03467	0.7
227.07117	0.6
229.01393	1.5
235.06137	2.2
244.03780	0.9
253.18068	0.9
259.06116	0.6
309.07578	1.1
333.07715	2.6
335.09183	2.7
351.08667	1.1
353.06583	0.8
361.07159	4.4
371.13464	1.3
379.08273	12.9
380.08652	0.9
381.09558	0.7
385.26163	0.8
394.10587	3.3
395.11331	1.3
397.11728	3.8
403.26926	1.9
409.12927	27.4
410.13153	2.8
412.11890	0.8
415.23044	0.6
427.13959	3.2
457.24646	4.8
485.31384	0.7
541.13757	2.3
559.14569	4.5
574.07996	0.7
574.16925	1.9
589.19293	100.0
590.10205	1.0
590.19635	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	589.181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.5
71.01376	0.6
73.02940	0.6
75.00861	0.2
79.95744	3.1
83.01405	0.2
89.02460	0.3
95.76850	0.2
96.96021	100.0
97.95967	0.4
98.95564	0.2
101.02457	0.5
113.02431	0.3
113.92651	0.2
114.11409	0.2
114.93423	0.5
116.92894	0.2
125.09505	0.2
128.02368	0.2
161.04636	0.4
255.05054	0.2
279.41299	0.2
361.36606	0.2
427.15973	0.2
553.32251	0.5
589.18188	0.7
589.29993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
59.01383	48.7
62.65895	1.3
69.03454	1.9
69.53751	8.5
71.01388	22.4
72.99281	1.8
73.02954	21.9
75.00880	2.8
79.95753	4.1
83.01387	7.8
85.02959	5.4
87.00878	3.1
88.04037	1.7
89.02449	9.7
95.01386	1.6
96.96022	100.0
97.02949	2.1
98.95586	1.5
99.00871	2.5
101.02454	23.1
108.02164	2.0
113.02480	13.1
119.03489	6.5
119.05051	2.8
122.06215	1.5
123.04536	2.8
125.02431	1.5
131.03482	3.9
132.02974	1.8
137.02467	3.4
143.03505	4.9
147.03001	1.8
149.02492	1.3
149.04565	11.8
150.03169	2.1
151.16594	1.4
152.01193	1.9
155.03503	1.4
161.04556	14.5
163.03981	2.8
165.04030	1.6
165.05508	1.9
177.04031	2.3
179.05620	4.2
221.06671	6.4
223.09811	1.6
251.07570	1.9
589.17987	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	588.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13416	0.5
55.01876	0.6
57.03441	0.6
59.01386	4.2
65.03967	1.5
69.73138	0.5
71.01388	7.2
71.23729	0.6
73.02959	3.4
75.00854	0.5
81.03442	0.6
83.01431	0.7
85.02943	3.0
88.04044	3.2
89.02459	2.3
91.11570	0.6
99.00902	2.1
101.02448	6.8
113.02454	2.4
125.02443	0.6
126.09241	1.2
127.04020	1.9
131.03539	0.6
141.43367	0.5
146.08224	1.3
149.04495	0.8
154.08777	1.1
159.02995	0.6
161.04555	3.2
170.08229	0.6
186.11368	10.8
218.10413	4.3
218.13986	100.0
219.14355	3.8
233.06656	0.9
237.09796	9.1
256.92999	0.5
293.08621	0.8
314.11105	0.6
369.14023	39.8
370.14304	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33376	1.5
55.28519	1.6
56.33559	1.7
57.01276	1.5
57.03447	2.3
59.01386	75.2
61.98817	1.5
69.03467	1.9
70.03255	6.2
71.01388	29.0
72.99321	3.0
73.02560	2.5
73.02956	42.7
75.00883	3.6
79.95738	3.4
83.01405	11.9
84.12622	1.5
85.02956	8.6
85.14956	1.5
87.00876	2.9
88.04068	2.0
89.02453	10.0
93.03493	2.0
95.01369	2.8
96.96021	100.0
98.20039	2.0
98.95604	2.2
99.00883	3.3
101.02453	37.2
108.02171	1.7
109.18793	1.8
113.02463	16.3
116.92864	1.8
119.03488	7.0
119.05028	5.3
125.02510	1.7
131.03503	5.7
134.03783	1.7
137.02419	2.8
143.03517	4.9
149.02493	2.1
149.04572	10.6
161.04594	19.8
163.04002	4.5
177.04121	2.3
179.05600	3.1
181.10126	1.6
221.06706	10.3
290.22507	1.6
541.74249	1.8
545.14807	2.7
589.17896	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	587.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
57.11901	0.7
58.00587	3.5
59.01387	7.8
70.42226	2.3
71.01371	4.6
72.99310	14.2
73.02958	0.8
75.00889	3.1
79.95746	2.3
85.01028	6.4
85.02947	2.8
87.00883	4.0
89.02451	1.3
93.03460	6.0
96.96019	100.0
99.00891	2.1
101.02385	1.0
107.05045	5.0
108.02228	1.2
113.02450	4.3
119.05048	3.0
121.02943	1.3
127.02110	1.4
131.05032	1.7
133.02991	2.2
134.03770	0.8
135.04544	2.3
140.32338	0.7
143.05254	3.5
143.07053	0.8
145.03134	1.4
145.94040	0.8
147.04572	4.3
149.02509	0.8
149.06097	7.4
152.01122	2.1
152.50267	1.0
157.03191	1.2
163.04027	1.6
164.18246	0.8
165.05586	45.3
166.05983	1.7
175.04039	1.8
179.03525	9.6
187.07855	0.9
193.05086	12.2
193.63469	0.8
194.05377	0.8
211.06120	1.3
216.46992	0.8
255.05109	53.4
256.05460	3.4
323.13586	1.1
346.88538	0.8
349.13153	10.7
473.71613	0.8
587.17926	67.2
588.18237	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	587.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59379	0.5
56.99186	0.5
58.00598	0.8
59.00939	0.5
59.01398	2.8
62.22818	0.5
69.51479	3.2
70.02900	0.5
71.01397	2.0
72.99315	3.1
75.00867	1.1
79.95729	2.6
85.01028	2.0
85.02953	1.0
87.00884	1.3
93.03479	2.0
96.96021	100.0
99.00889	0.8
107.05055	1.9
108.02177	1.1
113.02452	0.9
119.05032	0.7
125.42819	0.5
133.02974	1.1
135.04532	1.2
143.05257	0.8
147.04584	1.3
149.06105	2.1
152.01167	1.3
163.04059	0.8
165.04189	0.7
165.05586	14.5
166.05994	0.8
175.02451	0.9
179.03549	3.2
187.07768	0.6
193.05052	3.5
209.04565	0.7
255.05135	18.8
256.05328	1.0
274.10599	0.6
315.17703	0.6
349.13211	3.9
389.68311	0.5
587.17938	28.7
588.18677	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	586.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
59.01111	1.4
59.01386	18.9
61.98538	1.2
61.98837	17.6
63.02399	1.7
71.01385	8.5
71.05005	1.2
71.55217	0.7
71.55633	0.8
72.99303	0.9
73.02950	2.9
75.00871	1.2
81.03463	2.2
82.95410	2.0
84.04536	1.6
85.02950	3.5
89.02446	2.4
91.01897	7.6
95.05010	1.4
96.96005	4.7
99.00841	0.9
101.02450	3.6
110.02524	4.3
111.03034	0.7
112.04060	15.5
113.02441	3.2
113.11047	0.8
116.92884	1.7
117.92842	0.8
122.03743	16.1
122.06142	2.0
124.04057	10.9
125.02475	1.5
134.03691	1.3
137.02492	1.7
138.05658	1.0
140.07166	3.4
143.68486	0.8
149.04568	1.5
165.05524	1.1
166.05103	49.7
167.05453	1.2
169.06596	5.3
169.10292	1.2
171.08192	9.2
184.06183	10.9
195.08118	0.9
208.06129	2.0
213.09225	79.2
214.09538	3.5
239.07161	25.7
240.07515	1.7
257.08203	19.0
299.05273	1.0
328.10522	1.1
419.13385	3.9
523.21686	0.8
586.19305	100.0
587.19141	9.7
587.27496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2156
Annotation	CHEBI:67785
Peak:m/z	Relative Intensity
55.01877	0.7
57.16784	0.4
59.01382	2.5
59.01614	0.4
61.98818	0.5
67.58684	0.4
67.75784	0.4
68.99834	0.6
70.12511	1.8
71.01381	2.2
72.99314	3.3
75.00487	0.5
75.00889	7.4
75.02607	0.9
83.01390	1.6
84.99342	0.6
85.01031	1.7
87.00858	0.5
89.02453	0.8
99.00854	1.0
99.02621	1.1
99.99793	0.5
101.02439	0.6
102.57343	0.5
103.00378	4.0
112.98826	9.0
114.98446	1.1
115.00407	0.8
115.02104	0.8
122.97932	0.4
124.98816	0.8
127.02089	0.7
129.01958	0.6
129.03761	0.6
142.99913	1.0
143.01570	1.5
145.01422	0.7
150.11212	0.4
156.13535	0.4
157.01424	0.5
168.99457	0.6
171.01093	2.8
181.93225	0.4
231.03149	0.6
237.09384	0.5
263.05774	6.4
268.03778	0.8
283.06055	0.7
295.13168	0.5
295.17059	1.1
348.01102	0.5
365.15707	11.0
366.15842	0.5
437.14047	1.6
465.17419	1.0
493.16895	1.9
494.16364	0.5
515.13635	0.7
527.13678	1.6
553.18671	0.6
557.74384	0.5
585.21558	100.0
586.12616	0.6
586.21899	11.2
607.30872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.4
68.99808	0.9
71.01398	1.1
71.31506	0.8
72.99327	3.1
75.00882	7.1
75.02586	1.0
83.01404	1.0
84.99337	0.8
85.01035	1.9
87.00855	0.7
97.72406	0.4
99.00886	1.4
99.02613	0.5
101.02448	0.5
103.00396	3.4
112.98819	7.3
113.99084	0.4
114.98444	1.0
115.00380	0.5
115.02092	0.5
124.98840	0.7
127.01995	0.6
142.99855	0.8
143.01578	1.3
145.01508	0.9
171.01082	3.6
176.07794	0.5
199.00540	0.5
231.03096	0.8
262.06146	0.5
263.05795	6.4
295.17081	0.7
307.07813	0.6
365.15668	10.3
366.15741	0.6
381.09464	0.4
437.14078	1.3
465.17334	1.2
493.16901	1.4
515.13904	0.9
527.14032	1.6
585.21558	100.0
586.21887	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	585.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
57.89645	0.8
59.01388	11.8
61.98832	3.8
66.73147	0.7
69.17013	8.2
70.54698	0.7
71.01376	2.9
73.02946	1.3
75.00868	1.5
83.01352	0.8
85.02954	2.5
89.02447	1.8
96.96030	4.5
98.20634	1.3
99.04524	1.1
101.02433	2.2
112.18656	0.7
113.02431	1.8
116.92854	1.7
121.02954	1.1
123.00855	1.0
125.02454	0.9
135.01042	0.9
137.02444	1.9
144.05826	0.8
148.01671	8.9
157.06587	2.5
159.08174	7.3
161.02443	2.1
162.03264	1.3
163.04022	9.3
163.07593	0.9
174.03209	1.1
177.04109	1.3
177.05623	0.9
189.01985	1.1
195.05109	1.5
201.05579	0.9
203.07158	29.4
204.07428	1.3
205.08609	0.8
209.23357	0.8
217.08742	14.2
221.08168	10.2
241.05048	0.8
248.06915	1.2
259.09732	1.9
267.07135	1.1
269.04608	2.4
275.32080	0.9
284.06879	5.0
297.03769	1.1
299.09305	3.3
300.09583	0.9
366.11145	8.9
381.13449	100.0
382.13873	7.7
423.14594	2.3
567.20782	2.8
585.30939	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	585.2154
Annotation	CHEBI:67785
Peak:m/z	Relative Intensity
55.01869	0.6
58.75784	0.5
59.01382	2.5
59.01640	0.6
68.99815	0.8
69.68127	0.5
70.02293	2.3
71.01383	1.4
72.99326	3.1
75.00878	7.2
75.02592	0.8
78.32255	0.5
78.90440	0.5
83.01411	1.3
84.99296	0.6
85.01017	2.1
87.00874	0.8
89.02448	1.0
89.62451	0.4
99.00879	1.5
99.02624	0.7
99.79861	0.5
100.98761	0.7
101.02420	1.2
101.82661	0.5
103.00385	4.1
109.24129	0.7
112.98820	8.5
114.98447	1.1
115.02022	0.5
129.01900	0.5
129.03651	0.6
141.60730	0.5
142.99809	1.3
143.01573	1.2
145.01468	2.8
162.83780	0.5
171.01004	3.1
181.63124	0.5
199.00575	0.5
225.09178	0.7
231.03137	0.6
238.20036	0.7
262.06064	0.6
263.05768	6.5
295.16992	0.9
323.16592	0.6
365.15692	10.7
366.07227	0.6
366.15826	0.7
414.76926	0.5
437.13998	1.9
465.17490	0.8
493.16888	1.7
515.14050	1.2
527.13824	1.2
531.04205	0.6
541.53925	0.5
553.18933	1.0
585.21552	100.0
586.21844	10.5
606.01379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
63.27562	0.5
63.96244	1.4
69.03471	0.5
69.26283	0.4
71.01387	6.7
73.02966	1.4
78.46728	0.4
78.98598	5.7
79.95744	10.1
80.96524	60.7
85.02967	3.2
87.00888	1.7
88.12288	0.4
94.98095	14.0
96.96040	1.4
97.02956	1.5
99.00895	0.5
101.02432	2.7
106.98114	2.8
122.97607	2.7
125.02453	2.4
127.04020	0.9
127.56948	0.4
134.97589	4.2
136.99152	1.1
146.19144	0.4
148.99162	4.8
152.98624	5.5
164.98639	9.4
206.99741	1.8
225.00758	13.6
226.01227	0.5
283.26410	2.0
299.04449	2.9
499.69885	0.5
571.85284	0.5
583.31573	100.0
584.31934	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46635	0.7
52.06701	0.7
56.41286	0.8
59.01381	5.8
61.98813	1.5
69.67475	4.6
71.01369	1.7
72.59727	0.8
79.05553	1.3
85.02956	1.0
93.03459	0.8
96.96019	3.4
98.20640	1.3
107.05041	8.9
113.02451	1.2
123.00911	7.7
131.08655	1.0
133.02960	3.5
134.03758	1.0
137.02483	0.9
138.03238	2.5
139.04114	0.7
146.03738	1.5
148.01697	24.9
157.06613	1.9
159.04494	2.5
161.02455	31.6
162.03249	48.7
163.04030	30.5
173.06046	1.4
175.07658	85.7
176.04820	0.8
176.07988	2.4
177.05594	10.6
179.03357	0.8
187.04028	1.5
187.07631	1.0
189.01942	2.6
190.06355	1.1
201.05548	2.3
203.03447	1.3
204.04254	0.9
215.07147	14.3
265.08511	1.1
269.04379	0.9
335.09360	0.9
347.09192	3.5
363.08722	6.0
364.09515	9.0
378.11081	3.1
379.11890	100.0
380.12241	6.8
583.11029	1.5
583.18823	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	583.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47281	1.3
59.01387	32.8
61.98839	13.4
64.17950	0.9
66.77055	1.1
69.70827	3.7
69.90964	1.1
71.01396	4.7
73.02963	1.9
79.05588	1.0
79.73180	1.1
79.95701	1.2
81.03489	1.1
85.02988	2.3
87.00887	1.2
89.02467	2.5
89.03971	1.3
93.03515	1.2
96.96004	6.6
98.19998	2.0
101.02480	2.9
107.05020	8.3
109.02989	1.2
113.02486	3.0
117.03529	1.3
123.00898	3.4
124.01721	1.4
125.02495	2.6
129.54436	1.2
131.08710	1.5
133.03026	3.5
133.06532	1.1
135.00909	1.1
137.02472	2.4
145.03017	1.3
148.01712	2.7
149.02650	1.0
151.82092	1.2
157.06609	13.1
159.04538	7.9
161.02458	59.6
162.03249	29.7
163.00496	2.1
163.03955	2.5
170.12399	1.0
173.06136	3.0
175.04121	1.9
175.07658	74.4
176.04755	8.3
176.08029	4.1
177.05551	7.4
181.05147	3.3
185.06129	1.5
187.00401	1.9
187.04005	7.6
187.07672	1.5
188.04546	1.0
189.01981	3.2
190.06413	1.1
191.03745	1.3
201.05608	20.3
201.07318	2.1
202.06323	6.9
203.03445	1.4
215.07191	2.7
219.06679	1.7
229.05173	2.2
237.09274	1.2
239.03699	1.3
240.04439	1.5
240.07973	1.2
243.39159	1.1
255.03134	1.9
264.04285	1.1
276.07776	1.4
282.05475	1.6
283.06213	3.1
285.03946	2.0
291.10385	1.6
297.04321	1.4
299.05786	2.7
306.05496	1.7
307.10043	1.5
308.03354	1.8
317.08429	1.4
319.09940	4.1
321.07635	2.4
335.05850	1.6
335.09525	3.4
339.08826	2.2
345.08044	1.7
347.09360	1.7
348.06479	1.3
363.04254	1.7
363.08777	35.7
364.09421	11.6
364.12964	1.0
377.10602	3.9
378.11133	13.6
379.11868	100.0
380.12259	8.7
407.07996	4.5
523.16095	16.2
524.16742	2.5
531.46173	1.1
541.17041	2.0
583.18683	47.8
583.27380	2.6
584.18945	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	583.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01380	7.4
61.98840	2.1
69.67091	2.8
69.67513	1.5
71.01389	2.2
79.05540	0.8
93.03484	1.3
94.02398	0.9
96.96012	3.2
101.02478	1.2
107.05038	6.3
109.02949	2.0
117.03444	1.0
123.00884	2.3
125.02458	3.1
131.08707	1.1
133.02975	2.5
138.03242	1.0
143.05048	0.8
146.03729	0.9
148.01686	25.9
157.06615	9.8
157.07806	1.3
159.04495	6.1
161.02455	34.2
162.03236	23.6
163.00418	1.5
163.04025	32.0
164.04358	1.1
171.04521	2.1
172.94847	0.9
173.06151	2.2
175.07664	66.6
176.01176	1.1
176.04799	3.4
176.07994	2.2
177.02025	1.4
177.05540	5.5
185.06171	1.2
187.04018	3.4
187.07681	3.5
189.01941	3.0
191.03558	1.0
201.03857	1.5
201.05594	15.3
202.06317	3.3
203.03439	1.3
215.07149	22.1
216.07590	1.2
219.06575	1.0
227.03607	0.9
229.04991	1.2
240.04306	0.8
240.07933	1.4
255.02896	1.4
265.08786	1.0
268.03845	0.9
283.02466	2.3
283.06033	2.2
284.03171	1.9
284.06271	1.2
285.03836	1.9
285.07358	2.7
291.10141	1.0
293.08170	1.1
298.04865	2.8
299.05179	1.5
319.09778	1.2
323.05499	1.3
335.09250	1.9
347.09286	1.8
363.08783	16.5
364.09427	9.5
378.11188	5.4
379.11880	100.0
380.12234	7.6
583.18939	26.8
584.18884	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	583.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03463	0.6
59.01383	7.2
60.90436	0.5
61.98824	2.1
71.01396	3.9
71.54526	0.7
71.54875	0.4
72.99320	1.0
73.02962	1.5
75.00899	1.4
78.03507	0.6
78.78325	0.4
79.95758	0.5
80.05103	0.4
83.01420	0.6
85.02957	2.8
87.00898	1.3
89.02448	2.2
92.05081	1.8
94.06635	4.0
95.01446	0.8
96.96012	1.5
99.00899	1.0
101.02450	2.7
103.04292	0.4
104.05046	2.4
105.03468	1.7
106.03008	0.6
106.06632	13.0
108.02218	0.5
108.04575	2.3
109.26316	0.4
111.00877	0.5
113.02464	2.1
120.04569	5.7
121.05357	1.3
121.33272	0.4
122.06137	15.4
123.03310	1.3
124.07729	0.8
126.02836	0.4
131.03773	0.6
132.04581	6.2
134.67175	0.4
135.03249	0.7
136.04066	0.7
138.05624	21.7
139.05930	0.6
140.07181	0.5
148.04073	1.7
148.73689	0.4
150.05630	4.6
150.10512	0.4
152.07187	0.5
159.06952	0.6
161.02431	0.4
161.04582	0.8
164.03587	1.0
165.04117	0.4
165.05600	0.8
166.05098	1.5
173.08463	0.8
174.12920	0.9
184.11424	0.8
188.07243	0.5
189.07951	1.5
193.05099	0.4
198.07973	0.5
202.12408	0.9
203.09651	0.6
208.02646	0.5
209.15512	0.7
209.54057	0.4
212.09485	0.5
213.06825	1.0
213.09225	1.4
214.98979	0.4
215.11920	2.2
217.07481	2.3
225.10406	0.4
226.07434	0.8
227.11987	0.6
229.09842	1.1
231.09116	1.0
231.11438	1.8
241.09848	5.5
242.10353	0.7
243.11467	2.2
249.06187	2.7
254.14835	0.5
259.10864	1.2
271.10962	2.1
287.18503	0.6
289.11963	100.0
290.12332	5.2
315.09900	0.8
333.10938	64.5
334.11270	3.6
375.14880	0.5
407.14517	1.5
465.26645	0.6
483.05072	0.5
521.18195	0.5
522.33942	0.7
523.34839	5.2
547.15344	0.5
556.02100	0.5
565.16339	1.5
583.17804	47.7
584.17914	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	583.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85345	0.7
59.01382	5.5
61.98827	1.5
62.42833	0.6
65.01857	0.6
69.78620	3.3
71.01389	7.0
71.08036	0.6
73.02951	2.2
74.37110	0.7
75.00887	1.2
81.23512	0.7
83.01381	1.0
85.02965	3.5
87.00835	1.1
88.98808	0.9
89.02457	3.4
91.01900	0.9
93.03458	0.9
95.01399	1.7
96.96025	12.4
97.02966	0.6
99.00893	1.7
101.02433	2.2
108.02187	39.3
109.02975	35.4
113.02464	3.4
119.03534	0.6
123.00835	1.2
123.04519	2.5
125.02455	1.5
133.05063	1.3
135.04489	1.3
137.02394	1.2
145.02907	0.9
147.04555	0.9
149.04601	1.1
151.00357	0.7
151.03986	1.8
152.01173	72.9
153.01962	36.5
154.02377	0.7
161.04530	2.8
163.04031	3.7
165.05547	4.2
167.03523	1.8
170.30663	0.7
179.03516	0.9
191.03445	0.9
207.02997	0.9
209.04523	1.5
225.03966	0.8
241.06279	0.8
257.82370	0.6
278.23285	0.6
289.31799	0.6
298.08990	0.6
315.07352	1.2
334.65152	0.7
342.95999	0.6
373.08371	0.7
429.10538	3.5
447.11450	23.0
448.11530	1.4
451.17868	0.8
539.14111	3.5
539.26361	0.8
583.13055	100.0
584.13348	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	581.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11174	0.9
63.96210	1.1
70.16418	1.9
70.16809	2.0
71.01386	5.9
78.98598	6.2
79.95740	8.7
80.96528	50.5
85.02970	2.6
87.00908	1.1
94.98097	13.2
101.02439	2.4
106.65723	0.8
106.98090	2.4
122.97592	2.2
125.02428	2.4
134.97600	3.5
136.78522	0.8
136.99115	1.3
148.99156	5.4
152.98643	5.0
160.24841	1.0
164.12209	0.8
164.98631	8.2
175.45578	0.9
185.69029	0.8
206.99670	1.8
225.00731	10.7
234.84468	0.8
281.24783	2.2
299.04507	3.9
332.17291	1.0
535.90668	0.9
553.30017	2.1
581.29962	100.0
582.30237	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2736
Annotation	Euphoscopin B
Peak:m/z	Relative Intensity
50.30426	3.0
55.01875	4.3
57.03447	6.0
59.01384	100.0
61.98830	6.5
69.03481	4.5
69.62775	15.0
71.01386	54.4
73.02959	22.4
81.03442	3.5
83.01391	22.2
85.02949	22.0
87.00885	8.5
87.04520	59.2
89.02422	14.9
95.01415	9.7
96.96036	14.1
99.00864	6.0
101.02441	52.7
105.60316	2.8
108.02171	4.0
111.00838	4.1
113.02470	28.6
119.03509	3.9
121.03020	3.7
125.02515	8.5
135.00911	8.9
143.03497	9.6
149.04500	3.8
161.04494	14.1
202.41025	2.9
209.64114	3.1
253.09351	6.5
268.03696	5.0
271.04236	3.0
271.22836	3.7
281.04559	7.2
293.04648	6.2
307.17526	3.0
309.20746	13.4
333.07605	3.7
349.06976	5.9
377.21646	16.2
403.15540	10.0
433.27979	8.9
511.12213	6.0
521.26007	7.9
522.26318	3.3
539.27106	46.6
540.27472	4.1
580.67023	3.8
581.10913	19.1
581.20160	17.2
581.28125	25.9
582.20276	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	581.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00974	0.8
57.03445	3.2
58.00590	1.2
59.01385	76.2
61.98839	1.2
62.47357	0.8
70.05935	1.7
70.06332	1.9
71.01385	17.5
72.37292	0.8
73.02938	2.7
74.02474	2.6
75.00860	1.1
76.90234	1.1
83.01401	1.2
85.02957	5.6
87.00880	2.1
89.02445	12.8
95.01370	1.1
99.04528	9.4
101.02450	6.7
113.02460	4.8
119.03506	4.2
119.20906	0.9
137.02438	1.9
149.04547	3.6
155.10818	1.5
165.05475	1.1
165.12839	4.1
179.05493	1.4
189.12794	1.6
191.06917	0.9
203.08269	1.5
207.13913	11.5
209.11839	26.6
210.12173	1.3
225.14995	12.6
245.09296	3.4
246.09631	3.0
247.09901	1.5
251.12952	4.9
269.13950	77.8
270.14273	3.3
287.14948	2.1
390.21759	1.0
401.18219	1.3
406.90460	1.1
449.20340	100.0
450.20853	6.4
521.33514	5.5
539.34509	1.3
545.39697	1.1
581.16290	1.8
581.24524	45.2
582.24969	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	581.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11803	0.8
54.24507	1.0
59.01391	20.5
59.22012	0.8
70.81581	2.6
71.01387	6.7
74.56314	0.8
74.98801	0.8
75.00887	1.3
79.17830	0.9
85.02962	3.1
87.49392	0.9
89.02446	4.7
95.01376	2.1
96.96026	7.5
101.02439	2.2
109.02941	1.9
113.02467	4.4
121.02999	1.6
123.00895	14.6
125.99533	0.9
135.00832	0.9
137.02426	1.7
138.03236	32.5
139.03612	1.3
139.07849	1.0
153.01920	3.0
153.05580	12.7
166.99860	7.7
181.01440	4.5
182.02238	37.7
183.02502	1.6
195.02960	1.1
196.03720	2.1
197.04573	100.0
198.04897	2.4
211.06155	2.2
224.03217	2.6
224.94031	1.0
239.05637	16.5
269.06674	1.7
299.07773	3.3
345.07187	1.0
359.09879	62.2
360.10147	3.8
383.09677	1.3
419.12012	7.7
489.32037	1.1
545.20697	1.1
581.16937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1094
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
53.62937	0.6
54.23360	0.6
59.01392	4.9
61.98829	3.0
67.01914	1.0
69.03461	1.9
69.89758	1.7
69.90145	1.3
71.01387	1.1
81.03486	0.6
95.01385	6.2
95.40205	0.7
96.96026	1.2
97.02965	1.9
98.20697	0.9
103.62857	0.7
107.01398	4.5
111.72477	0.6
113.02428	0.7
117.03518	1.3
121.02931	0.8
123.00898	14.7
124.01664	2.7
125.02458	100.0
126.02861	1.4
132.02213	2.4
135.00934	0.9
148.01654	5.6
149.02480	1.4
149.99576	1.2
151.00366	9.6
158.03767	0.8
159.04474	0.8
169.01436	7.5
171.04483	1.2
175.00351	0.8
177.01996	0.8
182.03712	4.5
183.04445	1.0
185.02492	0.6
186.03250	1.1
195.04552	1.6
197.02487	1.3
198.03201	3.1
199.03932	1.5
209.11781	0.6
210.03311	2.7
211.04022	2.1
212.04759	1.6
214.02715	2.8
223.04019	2.9
224.04776	4.2
225.02139	0.8
226.02798	3.4
227.03526	3.6
239.03467	3.5
240.04240	1.7
241.01651	0.8
242.02257	4.3
243.02950	2.7
251.03383	2.1
252.04327	13.1
253.01430	1.0
253.04916	1.4
254.02197	2.3
255.02982	4.5
256.03766	0.9
266.01947	0.7
267.03085	3.0
267.06659	10.1
268.03812	7.9
268.06680	1.3
269.01028	0.8
269.04468	1.5
270.01758	2.6
271.02460	2.7
281.00684	0.9
282.02115	0.7
282.05466	1.8
283.02612	2.3
283.06128	11.3
284.03397	0.8
285.04071	2.0
298.01157	8.0
299.02002	6.2
313.03549	26.2
314.04221	2.4
315.16360	0.7
327.06683	2.6
343.06100	1.6
355.06201	1.2
369.03900	1.2
370.04639	1.3
371.05347	3.2
372.06171	0.8
384.06339	2.0
398.04105	0.8
399.05032	4.8
412.05994	1.5
414.07486	22.1
415.07797	2.3
425.03040	1.0
426.03671	3.1
429.09692	11.6
440.05405	12.5
441.06091	9.7
442.06985	1.7
455.07709	12.5
456.08475	1.1
457.09421	1.0
553.11023	0.9
566.10156	0.9
581.10895	86.1
582.11334	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	581.1089
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
59.01382	13.0
61.98824	2.6
64.83764	1.1
65.03968	7.7
69.56473	3.3
69.56887	3.0
71.01392	9.2
71.29634	1.0
83.35130	1.1
85.02956	1.9
87.00866	1.3
91.01907	10.5
96.96029	2.0
101.02451	2.0
109.02962	63.1
110.03311	1.2
113.02470	2.0
119.03461	1.6
133.03018	1.2
135.00893	14.7
148.01674	3.2
150.00851	1.2
150.03247	5.0
153.01947	7.3
153.60359	1.1
171.04581	1.9
173.04482	1.7
182.03822	1.6
183.04475	2.2
184.05309	1.3
185.02454	1.4
195.04669	2.3
198.03215	2.5
199.03949	3.4
209.11914	1.4
210.03209	1.9
211.04016	8.7
212.04872	2.7
224.04951	1.2
226.02745	2.4
227.03522	9.0
228.04065	1.4
238.02695	3.5
239.03491	13.3
240.04259	6.1
253.05164	1.9
254.02043	4.0
255.03018	26.3
255.05743	1.3
256.03674	2.2
267.03012	7.8
268.03766	42.6
269.04233	2.4
269.72275	1.3
271.22855	2.0
281.04608	4.5
282.01761	5.5
282.05161	2.1
283.02527	36.6
283.06134	100.0
284.03180	8.4
284.06464	5.5
285.04044	2.2
296.03400	7.7
297.04053	42.6
298.04816	47.4
299.05341	6.0
301.05045	1.9
302.05759	1.3
303.06543	1.5
317.04480	1.9
318.05399	1.7
330.05109	2.0
331.06073	2.3
343.06052	2.8
345.03867	2.3
345.07672	1.5
346.04834	4.1
347.05548	1.4
359.05634	2.2
360.06213	1.8
361.07367	1.7
369.03937	1.6
371.05685	1.5
374.04456	5.4
385.03641	1.4
386.04428	1.5
387.04980	4.2
388.05911	6.2
389.06711	20.0
390.07269	1.4
413.02991	2.8
415.04526	14.6
430.06973	9.3
433.28217	8.6
441.02615	4.2
442.03091	6.7
445.09225	5.3
456.05002	6.3
457.05490	3.5
471.07394	11.1
553.11426	4.7
566.08795	3.7
581.10938	94.4
581.30426	3.3
582.11365	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	580.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22601	0.8
51.87119	0.8
57.03457	1.2
59.01387	15.5
61.98838	100.0
62.16653	0.7
69.69130	0.6
70.09102	1.3
70.09468	2.5
71.01392	6.2
71.92050	0.6
72.99326	1.4
73.02962	2.3
75.00885	1.2
80.95082	0.9
83.01385	1.7
85.02952	5.1
85.32954	0.6
87.00905	2.2
88.98804	1.1
89.02448	2.5
96.96020	4.4
98.19930	1.0
99.00910	0.7
101.02453	3.8
101.24921	0.6
102.62389	0.7
113.02476	1.8
119.05008	0.7
121.02978	0.9
129.01961	1.2
133.03014	1.3
135.03046	1.1
137.02475	1.4
137.28136	0.7
149.04590	0.8
161.02373	1.2
186.06943	1.0
191.01964	0.7
191.05705	0.7
195.04999	0.7
210.06932	1.2
214.06351	1.1
215.06921	1.1
225.05473	0.9
226.06323	1.0
229.08765	0.9
239.03444	0.9
253.05107	1.5
254.05867	32.3
255.06265	1.5
261.10983	0.7
267.07425	0.8
269.04935	1.8
269.08212	51.0
270.08646	3.3
285.04144	1.2
286.21344	0.8
297.04074	7.1
310.21545	0.7
339.05170	1.0
382.09845	0.9
447.26071	2.3
448.26495	1.5
453.83337	0.8
535.30389	1.0
536.31696	1.2
579.31085	1.4
580.30786	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11954	0.5
55.01876	2.5
57.03455	6.7
58.00590	0.9
58.08835	0.5
59.01384	79.2
60.01727	0.8
61.98849	1.0
69.03449	1.9
71.01387	32.0
71.05032	1.3
71.55354	0.7
72.99319	2.5
73.02952	10.1
75.00868	3.9
81.03476	1.2
83.01392	6.3
83.05042	1.6
85.02955	16.9
85.06593	1.0
87.00882	3.6
87.04527	3.7
89.02451	9.4
93.07118	1.8
95.01395	3.7
95.05024	0.6
96.96041	1.3
97.02978	2.2
97.06605	3.1
99.00900	3.8
99.04512	2.7
101.02450	20.9
109.02940	0.9
109.06592	1.2
111.00890	2.3
111.04510	0.7
111.08183	0.7
112.01660	0.8
113.02457	16.3
113.09749	0.6
115.04037	0.6
115.07587	0.6
119.03529	3.2
123.00896	0.6
125.02459	4.0
125.09698	0.8
127.07605	0.5
129.01961	1.5
131.03491	0.8
135.08138	0.8
137.09743	1.4
141.12840	1.0
143.03510	2.2
143.10765	0.6
147.03050	0.9
149.04573	1.3
153.12833	0.6
155.10828	0.8
157.12363	1.1
159.03015	2.2
161.02484	0.7
161.04579	6.9
163.11288	0.6
165.04051	2.6
169.12335	1.4
171.13910	2.3
175.03940	0.9
181.12299	0.7
187.13347	1.0
195.05103	0.7
195.13930	0.8
197.15565	0.7
201.15002	1.5
207.13919	4.7
209.15408	0.8
213.14870	0.8
215.16539	1.3
227.16528	0.9
229.18123	1.5
243.16119	0.8
245.17577	7.6
251.12900	8.5
255.02846	0.5
281.04361	0.6
286.72256	0.6
287.22290	2.0
301.16479	0.9
313.10800	0.7
315.25443	0.9
319.17593	1.1
327.24963	0.6
345.19128	1.0
357.26486	3.5
375.27646	5.0
383.07828	1.5
389.21747	5.1
391.23395	2.0
399.20322	1.8
407.22751	3.8
431.19003	6.6
432.19305	1.2
445.24472	0.7
447.22101	1.2
449.27509	2.5
471.29617	0.9
475.29123	0.7
489.30505	0.9
501.30450	2.1
519.31769	100.0
520.24872	0.8
520.32092	10.1
537.32874	24.7
537.41235	1.2
538.33270	2.8
579.22662	10.4
579.34967	4.2
580.23218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41214	0.4
55.01879	2.0
57.03456	4.8
58.00609	0.7
59.01385	78.0
62.56076	0.4
68.99836	0.5
69.03457	1.2
69.39979	3.0
71.01389	27.0
71.05035	2.5
72.01720	0.5
72.99319	1.7
73.02954	7.6
75.00885	1.7
81.03461	2.3
83.01389	5.4
83.05035	0.7
85.02958	14.8
85.06603	1.9
86.00095	0.5
87.00881	3.0
87.04490	0.4
89.02451	8.9
89.02974	0.3
93.07111	2.8
95.01410	3.5
96.96046	0.8
97.02978	1.4
97.06642	1.0
98.19904	0.8
99.00889	3.3
99.04528	4.8
101.02454	16.7
109.02951	0.8
109.06606	1.0
111.00917	1.5
112.01685	0.5
113.02464	17.2
114.11154	0.5
119.03519	3.5
121.02976	0.5
123.04504	0.4
123.08165	0.4
125.02470	1.7
129.01964	1.2
129.09253	2.8
129.10176	0.5
137.09688	0.7
139.11313	0.4
141.01973	0.5
143.03516	1.7
143.10770	3.1
145.02942	0.6
147.04567	1.3
147.11844	1.2
149.00990	0.4
149.02354	0.4
149.04626	0.5
153.09262	0.7
153.12909	0.8
155.10793	0.9
159.03032	1.7
161.02518	0.6
161.04561	4.7
162.03278	0.4
165.04068	0.5
167.10817	0.5
173.11877	0.5
175.04068	0.4
177.04022	0.5
179.05614	0.8
189.05524	0.6
195.05083	1.3
195.13939	1.0
197.15521	1.0
213.02701	0.4
213.09128	0.8
213.14975	0.7
215.16570	9.9
216.16769	0.5
227.07132	0.8
227.16530	1.7
229.18022	0.8
245.17595	10.6
245.20132	0.6
246.18050	0.5
281.04486	0.5
285.04053	1.1
287.22284	0.8
296.06830	0.7
297.07678	1.3
309.61731	0.5
313.10788	1.1
315.25293	0.7
324.09888	0.5
327.12503	2.1
339.12460	1.1
357.26468	5.0
359.27975	0.5
375.27499	7.6
375.31934	0.6
380.33798	0.5
383.07846	4.3
384.08182	0.5
389.21869	6.8
390.22134	0.9
391.23663	1.2
399.20221	1.4
407.22913	6.6
408.23053	0.5
431.18777	1.1
449.27304	0.8
461.20401	0.5
471.29568	0.4
483.29776	0.5
489.31046	0.9
501.30655	1.7
519.31763	100.0
520.24780	0.8
520.32080	9.3
537.32819	25.9
538.33331	2.6
579.13745	1.6
579.23401	1.5
579.34143	3.3
580.13715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
69.03455	0.8
69.95369	1.6
69.95790	1.1
71.01382	5.9
71.26253	0.5
73.02943	1.5
78.98595	6.1
79.95744	10.4
80.96523	66.3
83.01387	0.6
85.02949	2.6
87.00875	2.9
94.98096	14.5
96.96033	0.9
97.02957	0.9
99.00877	0.6
101.02431	2.1
106.98082	3.3
115.42911	0.5
115.56721	0.5
122.97589	3.4
125.02465	3.0
127.03994	0.8
134.97601	4.3
136.99135	1.5
148.99144	5.7
149.00241	0.8
152.98650	6.0
164.98631	9.9
206.99683	2.2
225.00743	12.7
262.31366	0.5
279.23257	1.6
299.04480	2.5
307.13873	0.5
579.28442	100.0
580.28802	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	579.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46040	39.6
59.01371	84.2
59.45376	28.3
59.78666	32.4
61.98851	75.0
64.31626	29.7
70.57430	100.0
81.96489	29.2
83.20811	35.4
97.84323	29.5
98.19945	39.7
114.10090	36.5
162.42264	29.8
178.54510	35.9
310.08469	43.9
326.56027	32.1
431.57498	41.3
579.09595	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03458	3.1
58.42095	0.5
59.01385	37.0
60.01707	0.7
60.06792	0.5
61.01797	0.8
61.98843	5.7
65.81725	0.6
68.99789	0.6
69.03450	1.7
71.01389	21.9
71.05000	0.6
71.54980	0.6
71.55430	0.8
72.99017	0.5
72.99323	4.7
73.02946	5.7
75.00879	12.5
81.03426	1.0
83.01390	2.9
85.02472	1.0
85.02960	16.0
87.00887	5.6
88.98787	1.0
89.02463	6.9
93.03471	1.0
95.01408	4.7
96.96034	3.1
97.02934	0.8
99.00897	8.3
99.04475	0.8
99.08135	2.2
101.01883	0.7
101.02453	7.3
103.00352	1.5
109.02957	1.2
111.00835	0.9
113.01758	1.2
113.02465	18.8
115.00378	1.4
117.01885	2.0
117.03440	1.3
119.03512	1.4
122.03712	0.9
125.02438	1.3
125.09698	0.6
127.11237	1.0
129.01978	1.1
131.03468	0.9
134.03719	0.6
137.02278	0.8
140.16884	0.5
141.01703	0.7
143.03471	2.3
145.02911	2.0
146.03258	0.6
149.04546	1.2
155.14445	0.7
157.01389	1.0
160.01549	0.6
161.04578	3.3
162.58188	0.5
165.05547	1.1
167.14252	0.9
171.10226	2.0
175.02446	1.6
175.03947	0.7
183.13870	3.2
193.05147	0.6
193.12297	0.9
203.05608	0.8
207.05196	0.7
209.11786	1.0
211.13402	17.7
212.13663	1.1
213.09277	4.3
229.14476	11.2
231.05063	0.9
249.06190	6.8
267.07166	1.3
269.04611	5.6
270.04919	5.1
271.05038	4.6
283.02536	0.8
298.04648	1.6
299.05103	1.0
300.05304	1.4
305.04794	0.6
311.22067	0.9
313.10809	0.9
314.07657	0.7
315.07724	1.5
329.23367	18.4
330.23572	0.7
357.26505	0.8
375.27319	0.6
387.20197	2.5
447.25635	1.0
459.29468	0.7
474.45663	0.6
519.24390	1.9
519.31494	4.3
535.30975	4.7
536.31854	0.7
561.29181	1.7
579.14355	3.6
579.30103	100.0
580.30377	10.0
594.04541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32129	1.5
55.01876	6.6
57.03446	5.0
58.00591	2.2
59.01385	100.0
69.03455	1.9
69.51109	8.7
71.01389	47.9
72.99329	2.4
73.02950	11.5
75.00879	21.3
83.01396	4.9
85.02958	17.2
87.00880	7.4
89.02453	29.6
93.07099	3.2
95.01426	6.8
95.02065	1.3
96.96005	2.2
97.02950	1.9
97.06603	2.6
99.00883	2.9
99.04528	29.9
101.02456	28.3
101.06068	1.6
105.01929	4.7
109.06606	1.9
111.00893	2.1
111.04467	1.9
113.02460	20.7
119.03534	8.3
119.35593	1.2
121.06600	2.6
125.02458	3.6
129.01930	4.6
131.03508	1.6
137.09810	1.8
143.03477	2.4
147.03014	4.6
161.04553	6.1
165.04056	39.9
165.05463	2.0
177.04114	1.5
177.05573	1.5
179.05692	2.5
189.12929	7.7
189.14307	1.5
207.13922	37.8
245.17587	9.7
251.12900	80.4
252.13170	4.1
342.66187	1.6
357.26721	2.9
375.27698	3.2
381.15646	2.0
383.07730	2.1
389.21902	4.2
396.34818	1.6
399.16425	3.3
407.23022	1.6
431.19199	73.0
432.19492	5.7
447.22656	2.0
449.27234	2.4
519.24316	10.7
519.31677	63.4
520.31934	2.2
537.32959	18.5
579.22955	98.8
580.23358	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	579.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
57.03456	7.7
58.00599	2.9
59.01386	100.0
65.43345	1.1
69.03484	2.1
69.89631	2.2
69.90039	4.5
71.01390	47.7
71.01784	2.4
72.99327	5.5
73.02950	5.7
75.00876	10.4
81.03474	1.7
83.01385	5.4
85.02959	18.1
87.00894	9.6
89.02454	31.8
91.01884	1.1
93.07117	2.0
95.01408	4.9
96.96023	6.8
97.02949	2.0
97.06598	2.1
99.00862	5.6
99.04529	22.9
101.02457	28.4
105.01949	2.2
109.02968	3.8
111.00900	2.0
111.04521	1.3
113.02464	17.8
119.03532	8.7
119.45531	1.1
121.02966	1.2
121.06611	1.5
123.04511	1.3
125.02463	1.9
129.01942	3.8
129.09254	1.2
131.03543	1.2
133.62985	1.3
134.03725	1.1
143.03499	2.4
143.10799	2.1
145.02971	3.0
146.03746	4.1
146.65898	1.1
147.03018	1.7
147.04543	9.4
149.04582	3.0
155.10754	1.9
159.02998	2.3
159.04544	2.0
161.02502	2.5
161.04613	5.6
162.03198	2.0
165.04076	14.3
167.03511	3.7
173.02464	1.6
174.03227	1.8
175.03989	1.6
177.04045	5.1
179.05698	2.5
183.10255	1.8
188.04744	2.3
189.05620	1.8
189.12883	4.3
193.05089	1.7
195.05132	8.5
201.02208	1.1
207.13911	30.5
208.14243	1.7
209.05937	1.4
211.07611	1.6
215.16560	3.0
227.03581	1.4
229.01363	2.4
245.17615	7.6
251.12897	69.2
252.13335	3.0
255.03021	4.9
255.06674	1.9
271.02454	5.4
281.04565	6.4
282.05264	3.7
283.06183	1.8
284.03250	3.9
285.03992	10.1
286.91751	1.4
296.06839	5.1
297.07504	2.1
298.08456	2.7
300.02829	9.5
309.04105	1.9
311.09351	3.1
313.10706	6.8
324.06055	1.5
329.26801	1.2
339.08713	2.6
357.09726	3.3
357.26541	4.2
375.27417	2.3
376.74042	1.4
383.07721	27.4
384.08051	2.7
389.21832	3.8
401.08881	3.8
407.22931	2.9
431.19147	75.6
432.19339	6.0
449.27362	1.8
458.11740	1.3
501.30148	2.1
519.31793	65.0
520.32178	3.8
537.32837	16.3
538.33508	1.5
579.13727	22.9
579.23004	65.2
580.14465	2.4
580.23419	6.2
589.99268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03458	1.8
58.00592	0.4
59.01384	19.7
60.94955	0.4
69.03463	0.7
69.18956	3.3
71.01015	0.6
71.01388	8.0
72.99310	0.8
73.02951	2.6
75.00855	0.4
81.03457	1.2
83.01378	1.2
85.02954	4.5
87.00874	1.1
89.02453	2.1
95.01399	0.7
97.02959	0.5
99.00886	0.8
101.02446	5.1
106.55644	0.4
108.02162	0.6
113.02460	3.0
119.03490	0.4
122.03743	9.1
123.00900	0.4
125.02457	1.3
129.01939	0.5
137.02425	0.6
143.03418	0.6
146.03709	0.5
153.01976	0.3
159.02989	0.6
161.02472	0.8
161.04611	2.0
169.10225	1.0
169.12396	0.4
171.08165	3.7
175.03986	0.7
195.05051	0.4
199.13477	2.0
208.02669	0.3
213.09222	100.0
214.09601	5.0
227.10855	0.5
237.09181	3.1
239.10786	0.5
249.09296	0.4
255.10434	0.7
279.10266	0.4
297.11414	0.5
343.17661	2.1
345.19193	0.6
357.13467	9.4
357.26416	0.7
358.13782	0.9
361.18680	7.6
362.19043	0.5
375.14465	0.9
375.27466	2.9
403.19730	22.6
404.20129	1.2
417.15643	1.1
445.05273	0.4
507.81509	0.4
519.31787	9.3
520.32190	0.7
535.23907	3.3
537.32764	6.4
579.25775	0.6
579.33954	16.5
580.34131	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03444	3.3
59.01384	47.5
63.02402	1.4
69.26988	1.0
69.27394	5.8
71.01011	1.1
71.01389	16.8
71.05038	1.4
72.99287	1.5
73.02956	6.8
75.00874	2.8
81.03444	1.3
83.01404	4.7
84.02158	1.1
85.02960	12.5
86.00053	0.8
87.00877	1.2
87.04527	2.3
89.02457	5.1
93.07122	1.3
95.01373	2.6
95.05033	1.4
97.02989	0.8
97.06603	3.4
99.00862	2.8
101.02452	13.3
107.01386	2.1
109.02934	2.5
109.06614	1.9
111.00860	2.1
113.02454	9.7
115.03989	0.7
117.03460	3.3
118.03790	1.4
119.03465	1.1
121.02939	1.1
123.00872	3.1
124.01704	1.2
125.02440	2.3
129.01929	1.4
135.03093	0.9
135.04436	0.8
135.67238	0.8
137.02467	10.8
143.03485	1.5
147.04501	2.3
149.02452	1.9
151.00375	19.4
151.04012	1.9
152.00974	2.2
152.04791	3.3
157.12292	1.9
157.69902	0.7
159.02975	2.1
159.04379	1.1
160.04825	0.9
161.02432	1.9
161.04524	3.5
163.11305	1.4
165.01860	1.0
166.02724	52.4
166.74538	0.7
167.03311	2.8
177.01884	2.5
181.05080	70.3
182.05385	2.0
190.02719	1.0
190.06247	1.0
192.04167	1.2
193.04982	1.3
195.05077	2.0
197.06110	0.9
201.05446	1.0
205.05174	0.9
207.06541	1.5
225.05469	0.9
229.18057	2.6
245.17670	2.4
267.63593	0.8
268.03784	11.8
269.04514	56.8
270.04846	47.3
271.05133	39.5
271.09467	1.0
272.05606	1.1
281.04660	1.3
287.22296	2.1
296.06830	1.0
313.10764	2.3
316.09595	0.9
341.10236	0.8
357.09717	1.4
357.26443	2.0
359.11261	2.3
375.27454	2.7
383.07834	5.0
387.10904	14.7
388.11295	1.5
389.21698	2.3
391.23267	2.1
399.20172	1.5
401.08926	0.9
402.13278	5.8
407.22964	1.2
415.08875	1.2
417.15558	100.0
418.15897	7.8
449.27432	3.0
459.29559	1.0
489.30704	1.1
501.30688	3.5
519.31757	65.0
520.32117	4.4
537.32788	14.4
537.40192	1.4
538.33118	1.2
579.16132	64.4
580.16376	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63647	1.0
57.03430	3.2
59.01387	11.7
61.98835	1.4
68.99816	2.5
69.03458	2.1
70.20556	2.6
71.01389	17.8
72.99321	7.2
73.02950	2.1
75.00877	15.2
81.03459	1.5
83.01389	2.3
85.02958	18.7
87.00883	5.8
88.98817	0.8
89.02456	6.2
91.01881	3.0
93.03455	2.9
95.01399	6.2
96.96014	15.0
97.02978	1.8
98.95583	1.6
99.00898	14.5
101.02444	3.5
103.00343	2.4
107.05046	3.1
108.02190	16.0
109.02941	3.9
111.00879	4.0
113.01721	1.5
113.02459	19.0
115.00346	1.7
116.92858	1.8
117.01936	1.7
119.03507	1.0
123.00928	1.4
123.04533	23.0
129.01921	2.3
137.02444	2.2
139.00381	0.9
143.03499	1.2
151.00342	1.8
151.03986	3.6
152.01176	17.2
153.01971	11.2
153.05548	1.7
157.01408	3.5
161.04608	1.4
165.02022	1.1
165.05498	1.2
167.03502	66.0
169.04973	1.1
175.02461	1.8
184.69016	1.0
191.05441	0.9
209.04562	1.2
219.11017	0.9
223.05981	1.0
226.04843	2.8
227.05583	3.7
231.05060	2.3
241.07211	3.5
249.06161	31.3
267.07172	7.7
269.06595	1.2
297.23395	0.9
318.34949	0.9
355.10251	1.3
357.08130	1.6
399.09369	14.5
417.10333	100.0
418.10657	4.2
436.09778	1.0
489.13278	1.1
577.36682	0.9
579.15631	44.2
580.15875	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	579.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15502	1.5
53.69809	1.5
59.01384	12.9
59.87009	1.4
61.78092	1.5
61.98830	3.7
69.22742	3.6
69.23140	12.5
71.01382	7.6
73.02946	2.1
85.02954	4.0
87.00893	3.9
89.02467	5.6
93.03489	2.3
95.03067	1.7
96.96027	19.5
98.19968	3.7
101.02450	2.5
109.02917	2.5
111.00908	2.7
113.02459	3.3
119.03468	2.3
121.02949	2.2
133.02954	7.4
137.02484	2.2
139.00392	97.9
140.00784	2.0
149.04567	6.2
151.04004	2.2
153.01941	2.7
154.02733	85.8
155.03090	1.8
169.05074	100.0
170.05377	4.1
175.03931	2.8
177.01903	2.0
179.05692	1.7
185.06155	1.5
225.07574	1.9
267.06693	2.0
276.62421	1.6
297.11371	2.7
298.04770	5.3
311.05704	3.1
312.06351	6.1
313.07059	4.4
327.05209	2.4
327.12259	2.2
331.10324	14.3
339.04996	8.1
341.06677	4.0
345.13339	2.9
369.06180	24.7
371.07755	2.1
373.11417	20.1
381.06323	3.8
399.07327	19.1
411.07245	3.0
429.08228	4.6
441.08344	4.0
459.09402	17.8
471.09479	2.4
489.10196	10.4
501.09772	2.0
543.46570	1.9
561.12219	2.8
579.13550	49.9
579.22797	5.3
580.14154	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	579.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62222	0.9
55.01857	1.2
57.03455	2.0
59.01385	12.8
67.01862	1.2
68.99822	2.2
69.03477	1.2
69.59661	2.3
69.60068	3.5
71.01391	18.6
72.99306	5.2
73.02966	1.5
75.00876	15.0
81.03463	1.3
83.01390	3.0
85.02962	15.5
87.00883	5.5
89.02443	4.0
91.01889	2.7
93.03471	1.4
95.01395	4.5
96.96030	8.4
98.19882	1.1
99.00887	16.5
101.02414	1.2
103.00356	2.1
107.05026	1.2
108.02190	15.3
109.03000	6.2
111.00887	2.6
113.02456	16.5
115.00349	0.9
117.01950	2.7
123.00908	1.2
123.04532	22.9
124.13562	0.9
129.01921	1.7
130.99849	1.1
139.00381	1.2
151.00378	2.2
151.03958	1.6
152.01160	21.7
153.01967	8.7
157.01416	1.5
165.01900	1.4
167.03511	68.5
168.03777	1.4
175.02438	2.1
189.15063	0.9
223.06027	1.0
225.70284	1.0
226.04829	1.9
227.05606	3.2
231.05168	2.4
241.07213	3.5
249.06187	31.6
267.07227	9.5
269.06430	1.2
323.07669	1.1
329.08905	1.0
355.10440	2.0
357.08176	1.1
369.06027	1.3
399.09363	13.5
400.09720	1.1
417.10385	100.0
418.10846	6.8
459.10718	2.3
579.15662	43.0
580.16107	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	579.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.1
57.03455	9.6
58.00614	1.4
59.01383	96.3
62.27512	1.4
68.99799	1.4
69.03461	1.5
71.01386	47.9
71.31599	2.8
72.99313	6.3
73.02940	8.7
75.00873	24.2
83.01397	7.2
83.05014	2.3
84.05094	1.4
85.02956	22.3
87.00882	10.8
87.04561	1.6
89.02456	25.1
95.01377	2.5
96.96001	3.9
97.03005	1.9
97.06580	3.1
98.64379	1.3
99.00926	6.9
99.04559	7.9
101.02453	28.1
108.02217	1.2
109.02967	10.5
109.06583	2.5
111.00899	4.0
113.02451	21.6
119.03552	6.8
119.05042	2.2
121.03014	1.8
125.02454	3.9
129.01964	11.7
129.03534	2.4
130.04285	1.4
131.03531	3.6
133.02960	2.1
137.02477	1.6
143.10799	3.2
145.02979	7.3
146.03735	16.7
147.04538	31.5
149.04590	2.0
159.03011	4.7
159.04515	5.7
160.01733	1.4
161.02426	6.5
161.04556	5.6
162.03235	3.0
165.04102	8.2
167.03491	1.5
167.69135	1.4
173.02446	6.7
174.03220	6.1
176.04785	4.5
177.04076	12.6
179.05664	1.9
188.04773	4.5
189.05598	6.1
189.12749	2.8
191.07156	2.5
195.05115	31.3
203.07185	3.3
207.13916	10.2
225.05618	1.7
227.03366	2.1
229.01396	6.5
229.18118	2.4
245.17587	4.5
251.12878	25.6
253.05089	3.3
254.67703	1.6
255.03098	3.9
263.03574	2.9
265.05045	4.1
271.02548	1.5
271.06464	1.4
279.04984	1.5
281.04617	18.0
281.07782	2.9
282.05423	7.7
283.06064	7.7
284.03168	4.3
285.04056	6.5
293.04639	1.7
296.06976	8.6
297.07657	15.5
298.08401	9.2
309.04062	5.4
311.09235	11.5
312.10001	1.4
313.10834	28.6
314.11087	1.8
324.06406	5.7
327.12405	4.7
339.08737	9.6
339.12448	3.0
357.09735	9.6
357.26450	2.0
368.05661	1.8
375.27484	4.5
383.07736	100.0
384.08200	8.2
387.20459	2.7
389.21759	3.5
391.23392	3.1
399.20166	4.6
401.08679	11.5
407.23053	2.2
431.19019	27.2
449.27423	5.0
496.73581	1.5
501.30869	2.5
519.24365	24.2
519.31757	69.2
520.24884	2.0
520.31592	3.0
535.14465	4.0
537.32831	19.0
561.12445	4.0
579.13538	44.0
579.23157	32.6
580.14001	3.3
580.22906	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01385	16.4
60.99308	0.6
61.98839	0.5
69.57487	0.6
70.13028	0.5
71.01011	0.8
71.01386	11.1
71.32468	0.5
71.55203	0.5
72.99324	0.6
73.02956	3.0
79.01894	0.6
81.07098	1.3
85.02977	2.9
87.00881	1.4
88.98819	2.7
89.02454	16.2
93.03503	0.6
95.01405	1.2
96.96027	2.8
97.37408	0.6
99.00881	1.5
99.04539	0.8
101.02457	7.1
107.01394	1.3
108.02162	0.6
109.02946	3.1
109.06600	0.9
111.00903	1.8
113.02461	4.2
119.03500	3.7
119.05019	0.6
121.02905	0.8
123.04525	0.8
125.02426	1.2
131.03543	2.5
133.02971	11.6
134.03711	1.3
135.04517	1.8
137.02432	0.7
138.50299	0.5
143.03485	1.0
147.04483	0.6
149.02493	1.5
149.04567	19.5
149.05902	0.9
151.00325	1.2
151.04021	1.5
159.04510	0.5
161.02435	1.5
161.04547	1.7
161.05928	0.5
163.03984	1.3
165.05463	0.9
169.06543	0.7
175.04037	4.1
177.02011	2.4
177.05573	2.1
179.03691	0.4
179.05617	2.6
181.05066	1.3
185.35266	0.6
189.01987	1.2
189.05623	0.8
191.03471	1.7
191.05559	1.2
199.04100	1.0
201.02008	1.2
203.03506	1.5
205.01456	1.5
205.05020	1.0
205.12341	1.7
211.07718	6.0
213.05525	1.0
217.05072	0.9
223.13403	3.8
225.05492	0.7
227.03392	0.7
233.04642	0.8
237.05815	0.6
239.07219	1.0
241.04932	0.8
245.04666	0.8
254.05888	0.9
267.06750	1.6
267.12396	1.4
269.04712	1.4
269.08258	0.7
270.05246	0.9
281.04547	0.9
283.06140	1.9
285.04205	0.8
293.09097	0.7
297.04102	3.8
297.07306	0.7
298.04849	11.1
299.05612	4.6
309.04092	1.2
310.04831	1.4
311.05627	8.3
312.06409	10.6
313.07172	10.4
313.10538	1.0
323.05670	2.2
324.06537	0.6
325.07141	1.5
327.05121	6.9
327.12244	0.8
328.05060	0.8
338.04367	0.7
339.05127	16.0
340.05511	1.8
341.06662	7.4
344.05255	1.4
351.05124	2.4
353.06650	4.7
357.06171	2.2
367.04581	0.7
369.06168	52.8
370.06415	3.4
371.07880	1.3
381.06158	7.6
383.07706	1.1
387.20538	0.7
388.82321	0.6
393.06210	0.8
395.07877	0.9
399.07224	38.1
400.07693	2.8
403.19873	0.9
411.07111	4.0
417.11801	1.7
417.16599	1.0
423.07397	1.2
429.03088	0.9
429.08307	7.4
430.08572	0.7
441.08493	1.9
447.18655	2.2
453.08429	1.1
454.58493	0.9
459.09402	12.3
460.09500	0.7
471.09576	3.9
489.10428	32.8
490.10745	2.3
501.10495	0.9
519.11597	6.0
519.24304	5.5
520.12042	0.9
561.12268	2.8
579.13678	100.0
579.22931	9.1
580.13837	11.5
580.22504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13514	1.0
55.34346	1.2
59.01384	10.6
69.46549	8.5
71.01402	6.4
80.78232	1.0
83.01379	1.4
84.03483	1.0
89.02448	8.5
98.19919	2.6
99.84483	1.0
101.02444	3.2
109.02961	3.4
110.14374	1.0
111.00869	1.3
113.02471	1.5
119.03534	1.3
131.03462	1.5
133.02971	15.1
134.03757	1.3
135.04568	1.3
140.47284	1.2
140.80232	1.0
147.04559	1.4
149.04552	8.5
152.77550	1.0
163.03963	1.5
163.91495	1.1
175.04022	4.0
177.01944	3.7
177.05653	1.4
179.05646	1.9
182.03156	1.2
191.03596	1.2
191.05669	1.3
196.05431	1.0
201.01982	2.4
203.03555	1.9
205.01471	1.9
211.07607	2.3
213.05435	1.6
217.05075	1.3
223.13405	2.3
229.31044	1.1
233.04564	1.5
245.04526	1.8
267.06458	1.6
275.88937	1.1
283.06235	1.7
283.88235	1.3
285.03830	1.7
297.04037	4.5
297.07330	1.2
297.11237	1.3
298.04840	8.6
299.05566	5.8
309.04099	1.6
310.04895	1.7
311.05603	10.9
312.06396	14.6
313.07336	11.0
323.05667	3.4
325.07214	2.2
327.05258	8.2
327.12506	2.1
339.05127	16.4
341.06784	7.6
351.05170	2.1
353.06671	5.1
357.06229	2.5
363.04785	1.2
369.06174	54.0
370.06485	4.1
371.07715	1.8
381.06149	8.7
399.07251	48.0
400.07565	3.2
411.07205	4.4
423.07498	1.6
429.08347	10.9
441.08179	8.2
447.18625	2.5
459.09375	46.0
460.09821	4.6
471.09109	2.6
480.00259	1.2
489.10406	19.7
490.10715	2.2
501.10217	1.8
519.11536	4.5
519.24561	2.2
561.12396	3.5
579.13617	100.0
580.13965	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	578.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03447	0.6
59.01118	0.7
59.01387	10.6
61.98838	41.6
67.82378	0.5
71.01392	3.7
71.34607	0.4
71.55552	0.7
73.02949	1.7
80.28977	0.5
80.80492	0.4
83.01390	1.1
85.02952	1.6
87.00850	0.7
89.02453	1.4
95.01406	0.5
96.96027	1.5
99.00874	0.8
99.04517	0.7
101.02444	2.8
101.83237	0.4
111.18792	0.4
113.02455	1.6
119.03516	0.5
129.01920	0.5
132.02194	1.3
135.00914	0.7
145.02925	0.6
149.04596	0.9
169.80882	0.5
171.10284	0.6
195.04601	1.0
203.77425	0.4
208.05237	1.2
223.04018	3.7
224.04764	1.8
251.03471	3.5
251.07274	0.8
252.04289	45.8
253.04655	2.0
267.06635	100.0
268.06976	4.5
281.08118	0.6
295.06042	0.8
309.07635	1.0
315.08896	0.6
328.44254	0.5
445.24289	0.5
513.02106	0.5
517.30463	0.9
518.30884	0.8
577.32391	5.1
578.32269	2.7
579.33868	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4241
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
56.71587	0.5
58.51211	0.5
59.01358	1.7
71.55601	1.0
83.05003	0.8
83.94040	0.5
132.22359	0.6
135.04539	0.8
152.32979	0.6
183.08177	0.6
203.07007	0.6
204.07896	0.9
205.08206	0.6
219.06526	0.8
225.09219	2.4
226.09837	1.2
237.09227	0.9
239.10678	1.2
241.12405	1.1
244.08098	0.5
244.62863	0.6
248.58005	0.6
259.20599	0.7
277.21738	100.0
278.22092	4.8
279.13852	1.5
293.15131	0.6
295.17065	1.5
303.37695	0.8
311.11072	0.7
329.17526	1.4
339.15964	2.4
341.13892	5.1
370.04059	0.6
375.19785	1.5
391.19064	1.4
407.18588	1.4
409.20190	2.6
410.20377	0.8
492.28500	1.1
576.20801	0.7
577.20496	1.9
577.32758	5.0
577.42462	40.0
578.33710	0.9
578.42920	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.354
Annotation	Hugonone B
Peak:m/z	Relative Intensity
50.74465	1.3
56.41609	1.2
59.01373	1.5
71.01388	5.0
71.54519	2.1
73.43923	1.3
79.63362	1.2
81.34967	1.2
103.59171	1.3
129.12810	1.5
137.13461	1.3
138.26585	1.5
144.77538	1.3
149.02554	1.7
149.06067	2.1
163.11284	2.3
164.91084	1.4
175.71426	1.3
209.15471	2.7
223.07776	2.9
225.09230	49.2
237.09174	12.8
239.16563	4.8
256.07358	1.4
263.07431	1.7
272.10706	1.5
277.21579	1.9
293.15570	2.5
295.17053	73.5
296.17517	4.4
321.14932	4.9
339.16022	87.1
340.16351	5.8
577.35370	100.0
578.36060	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	577.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21819	0.5
56.36441	0.4
57.48020	0.4
59.01381	0.9
61.98832	5.9
63.96236	1.5
65.31016	0.5
69.03465	0.5
70.85080	1.0
71.01389	8.3
72.99302	0.6
73.02946	1.8
75.40745	0.5
78.98596	7.4
79.95741	11.7
80.96524	73.9
81.03479	0.7
84.25124	0.4
85.02964	3.8
87.00871	2.3
94.11552	0.5
94.27638	0.4
94.97488	0.9
94.98096	16.3
96.95986	1.0
97.02950	1.4
101.02455	2.5
106.98093	4.3
107.49179	0.4
122.97607	3.7
125.02463	2.7
127.04006	1.1
134.97603	4.1
136.99142	1.6
148.99124	5.8
152.98636	5.2
164.98642	11.5
193.10664	0.5
206.99719	2.9
225.00766	14.4
277.21698	1.5
299.04404	3.4
577.26886	100.0
578.27222	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	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.1
61.98833	0.7
62.17952	0.4
63.96252	1.1
69.03461	0.6
70.84816	1.0
71.01386	7.6
73.02958	2.2
78.98595	6.0
79.95747	10.2
80.96524	70.8
81.03460	0.5
85.02958	3.5
87.00880	2.9
88.84190	0.4
94.98096	16.1
95.01414	0.7
96.96043	0.6
97.02950	1.6
99.00909	1.0
101.02477	2.9
106.98096	3.8
113.02435	0.6
122.97592	5.5
125.02460	4.0
127.04001	0.6
134.38358	0.4
134.97610	5.4
136.99147	1.2
148.99127	7.1
152.98647	6.5
160.61832	0.4
164.98637	10.9
167.00211	0.5
182.99713	1.9
188.98695	0.7
190.51291	0.4
206.62987	0.5
206.99719	2.7
225.00746	16.1
243.01823	0.9
277.21722	1.8
292.06360	0.4
299.04456	2.6
577.26898	100.0
578.27264	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	577.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.5
59.01384	12.4
67.01870	0.6
68.99818	1.0
69.03465	0.9
70.20216	1.7
71.01389	10.6
72.99322	3.8
73.02946	2.1
75.00877	11.0
83.05032	0.9
85.02960	15.0
87.00900	5.3
89.02457	2.7
91.03994	0.5
93.03468	1.6
95.01392	3.8
96.96023	0.7
97.02903	0.4
97.06606	2.2
98.19947	0.5
99.00889	6.2
101.02438	1.3
103.00369	1.3
111.00837	0.6
113.02461	14.5
113.03260	0.8
113.46731	0.4
115.00357	1.1
117.01895	1.5
125.09743	0.5
127.11309	1.2
129.01891	1.2
131.03560	0.5
137.02470	2.0
157.01405	0.6
165.12805	0.7
167.14467	0.7
171.10323	4.3
175.02542	2.2
183.13904	2.4
185.11772	1.0
187.67117	0.4
189.04053	0.6
193.12318	0.8
197.11801	0.5
203.10776	0.8
205.07228	0.9
209.11792	1.1
211.13408	12.2
212.13754	0.7
219.30832	0.4
221.11774	2.0
229.14455	9.0
230.14740	0.5
231.05038	0.7
239.12883	1.1
249.06192	7.6
253.02487	0.4
254.61278	0.4
267.07104	1.0
291.19635	1.7
300.38214	0.5
309.20639	0.5
327.21771	15.6
328.22101	0.8
368.56223	0.6
517.30176	0.8
535.31165	0.5
538.69324	0.4
559.27356	2.7
577.28589	100.0
578.29034	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	577.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98842	1.0
69.93134	1.3
69.93538	2.1
71.01393	1.5
71.05036	2.8
73.02977	0.8
85.02982	1.2
89.02477	0.7
96.96011	0.9
101.02459	1.2
113.02469	1.4
123.00917	0.9
124.01680	1.8
135.04567	2.3
147.04541	0.7
148.01738	0.6
149.50514	0.7
151.04036	0.8
160.86031	0.7
187.07715	3.5
189.09174	1.6
202.40875	0.7
207.10303	10.3
225.09186	1.0
226.10057	1.9
233.11870	1.2
237.09222	6.1
238.10001	2.1
239.10834	1.9
241.12399	5.1
252.08018	1.6
253.12436	2.6
269.04636	1.1
278.13190	1.7
283.15793	0.8
284.03281	0.9
285.04147	2.4
291.14032	0.8
293.15543	10.7
293.65649	0.7
309.15018	5.2
311.16537	21.7
312.16971	1.1
325.14603	1.8
355.15549	85.0
356.15817	6.6
361.45667	0.7
450.42719	0.8
577.13275	3.5
577.28656	0.7
577.37433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01717	0.9
61.98853	1.0
69.32048	5.8
71.01402	0.9
71.05024	2.0
73.02966	0.8
85.03004	0.9
96.96023	1.2
113.02522	0.9
123.00918	1.4
124.01679	1.1
129.80336	0.8
135.04610	2.7
151.04076	0.8
163.04039	10.0
166.01146	0.8
178.06366	9.6
187.07686	2.4
189.09256	2.2
193.08722	17.1
193.10394	1.1
194.09091	1.1
207.10312	7.7
216.40431	0.8
223.07843	0.8
226.10158	1.5
233.11986	1.5
237.09216	5.4
238.10126	1.6
239.10730	1.9
241.12341	4.9
242.19441	0.8
242.94336	0.8
252.07982	2.2
253.12445	3.6
263.14682	0.9
269.04657	1.0
278.13284	0.9
284.03357	0.8
291.13931	1.0
293.15561	7.8
309.14905	4.6
311.16559	21.6
311.20016	1.2
312.16937	1.5
313.24814	0.7
325.14615	1.8
348.28342	0.9
355.15546	67.2
356.15955	4.4
374.81522	0.8
452.51129	0.9
481.68060	0.9
577.22729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.5
57.03439	3.5
58.00607	3.3
59.01386	95.7
71.01389	57.3
72.99297	5.5
73.02946	6.0
75.00875	29.8
81.02596	1.8
83.01386	3.4
83.05045	1.9
85.02951	14.7
87.00890	8.5
89.02450	50.8
93.03501	1.9
93.07211	1.5
95.01384	2.7
96.96028	4.7
99.00888	3.0
99.04517	5.4
101.02449	34.9
105.01928	5.6
111.04507	1.8
113.02462	22.0
113.06107	1.7
119.03513	22.6
125.02448	2.6
129.01962	6.7
131.03476	2.2
135.76466	1.6
143.03517	4.3
147.03011	6.8
149.04575	3.2
161.04573	7.3
161.13347	18.1
165.04060	62.0
165.05463	3.0
179.05626	16.0
187.11292	2.9
193.04971	1.9
205.12334	45.9
206.12737	3.5
221.06636	3.5
249.11314	47.5
285.04120	4.1
299.01898	2.8
325.32700	1.9
329.06744	3.3
385.18631	3.6
397.15018	6.7
429.17676	53.9
430.18158	3.4
431.09531	2.0
517.30194	7.0
535.30933	1.9
577.21436	100.0
578.21899	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	577.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.1
57.03451	2.0
58.00582	2.8
59.01385	100.0
61.49406	1.4
61.98837	1.8
69.32394	12.3
71.01019	3.1
71.01389	53.2
72.99288	4.9
73.02953	7.8
75.00879	26.6
83.01386	5.0
85.02946	14.5
87.00864	7.9
87.68700	1.4
89.02457	47.0
95.01375	2.2
96.96026	4.1
97.06613	1.6
99.00854	2.6
99.04523	6.6
101.02459	35.5
105.01939	5.5
111.04555	2.9
113.02471	22.2
119.03525	23.2
125.02428	4.7
129.01933	8.1
131.03465	2.6
143.03455	5.3
147.02972	6.4
149.04579	3.5
152.07269	1.5
161.04567	8.0
161.13376	18.3
165.04053	59.2
165.05467	2.9
179.05650	12.5
187.11252	6.6
193.05078	2.0
203.69843	1.6
205.12346	48.9
221.06728	2.9
249.11343	45.2
269.04456	3.6
285.03958	4.2
329.06302	2.7
385.18646	2.0
397.14911	5.1
429.17651	46.2
430.17731	2.9
431.09921	1.9
517.30554	8.3
535.31055	2.6
565.12122	1.6
577.21368	92.6
578.22040	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	577.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46369	0.5
54.58157	0.5
55.01880	3.6
55.18029	0.5
57.03451	1.2
58.00606	2.9
59.01384	100.0
65.72967	0.4
69.03465	1.1
71.01389	45.9
71.54436	0.8
71.89853	0.5
72.01774	0.6
72.99307	4.5
73.02953	15.4
75.00875	18.2
81.07104	0.6
83.01390	4.8
85.02952	11.6
87.00887	5.0
89.02452	42.5
90.02825	0.5
95.01389	3.8
97.02947	0.8
99.00900	2.0
99.04543	2.1
99.46272	0.5
101.02452	29.1
105.01948	3.5
111.04478	0.8
113.02459	26.0
119.03516	17.2
125.02473	1.3
129.01945	4.6
131.03546	2.6
132.04660	0.8
143.03499	4.4
147.02994	3.0
149.04591	3.0
161.04578	7.0
161.13412	3.9
165.04054	46.8
166.04375	1.2
179.05615	10.0
187.11293	1.4
205.12343	10.0
211.04100	1.3
229.67351	0.5
239.03543	1.1
249.11351	6.6
250.11801	0.6
269.04626	1.0
288.33618	0.5
297.07745	0.5
311.05460	0.7
325.07129	0.6
353.06781	0.9
355.21356	1.1
379.14902	0.5
383.07712	0.7
385.18896	1.2
429.17429	5.3
430.18317	0.6
457.11746	0.6
517.26550	21.4
518.27039	1.8
535.19360	1.0
535.27643	16.3
536.27893	1.1
545.17993	1.4
577.21655	33.5
577.28113	2.0
578.22070	3.3
587.50238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.5
58.88576	0.8
59.01388	8.3
71.01392	7.9
71.31477	1.9
72.99315	1.9
73.02944	3.7
75.65367	0.8
78.53606	0.8
83.01379	1.7
85.02963	20.0
87.00879	1.1
88.98785	1.3
89.02454	4.1
95.01385	1.5
96.96022	11.7
97.02973	0.9
99.00900	2.4
99.04533	1.9
101.02450	10.4
103.04027	6.2
108.02187	45.7
109.02995	13.4
113.02448	3.6
119.03487	0.9
120.01248	3.2
121.02937	2.3
123.00841	1.2
123.04514	1.1
125.02466	5.1
125.53210	0.8
133.02954	1.6
134.03720	0.9
135.04509	1.6
137.02460	1.5
143.03477	1.4
147.06647	32.1
149.02390	1.1
149.04530	1.5
151.04012	1.6
152.01167	100.0
153.01782	3.3
158.02063	0.9
161.02446	2.1
161.04526	1.5
163.04012	5.1
165.01935	1.4
167.03462	1.0
177.01910	1.8
179.03432	1.7
179.07111	1.0
180.99727	0.8
191.05658	0.9
207.02979	1.0
212.53981	1.1
225.07668	1.3
289.07159	2.6
407.07739	2.0
412.43939	1.0
425.08954	1.2
429.10376	59.2
430.10507	3.9
447.11475	13.1
533.15143	7.4
577.17749	78.0
578.17920	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	577.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
63.02388	1.6
65.00311	0.9
68.14803	0.2
69.28303	1.1
69.28732	0.7
71.01402	0.8
83.01397	0.7
89.02457	0.3
93.03445	0.2
101.02471	0.3
107.01390	1.9
117.03477	2.8
121.02959	0.4
122.07648	0.2
132.37419	0.2
145.03040	0.2
148.01782	0.2
149.02512	1.0
151.00371	1.6
155.05128	0.2
159.04547	1.2
161.02484	0.8
169.06535	0.3
171.04555	0.5
181.06592	0.4
183.04521	0.6
184.05223	0.2
185.02376	0.3
196.05305	0.7
197.06100	0.6
199.04082	0.2
200.04898	0.2
201.05598	0.7
211.04037	0.8
211.07568	0.9
212.04715	0.3
213.05544	0.2
220.90396	0.2
224.04871	0.3
225.05583	1.4
227.03603	0.5
239.03470	1.6
240.04248	1.8
241.04840	0.2
267.02899	0.7
268.03778	24.6
269.04556	100.0
270.04895	4.8
311.05576	0.5
352.52451	0.2
357.42578	0.2
405.50208	0.2
413.08640	0.6
431.10025	0.3
577.15625	52.1
578.15961	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	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01385	79.0
59.59089	0.4
61.98838	2.6
63.02409	1.5
65.00327	1.0
69.41258	3.2
71.01393	4.7
72.99324	0.7
73.02959	3.2
74.12289	0.4
75.00875	1.5
83.01405	1.5
83.19781	0.4
85.02956	3.5
87.00899	1.4
89.02444	1.9
92.61626	0.4
93.03483	1.5
94.03849	0.5
95.01413	1.1
96.96027	2.1
99.00907	1.1
99.04534	0.4
101.02444	3.6
107.01376	1.7
113.02430	2.9
117.03483	9.5
119.03618	0.7
119.05048	2.4
121.02959	4.9
123.04554	0.4
132.02167	0.7
134.03752	2.7
134.63884	0.5
137.02452	4.3
138.00389	0.4
138.02798	0.8
145.02977	13.4
149.02481	2.2
149.04584	0.5
149.05995	0.5
151.00378	1.7
159.04532	1.1
161.02443	1.9
161.04468	0.5
163.03986	1.2
175.04034	0.4
179.34816	0.4
183.04506	0.7
190.02808	0.7
193.05049	2.5
197.06131	0.9
201.05559	0.5
205.05101	0.5
213.05571	0.6
223.06073	1.0
225.05524	1.4
225.97803	0.4
227.03468	0.8
241.05016	0.4
252.04250	0.6
253.05107	0.5
255.03120	0.6
268.03900	2.6
269.04565	100.0
270.04959	6.6
281.04395	0.4
282.30820	0.4
298.04825	17.3
299.04950	0.9
307.08167	1.5
311.22214	0.5
313.07181	17.6
314.07742	1.0
329.07010	0.5
355.24710	0.6
371.09824	4.7
373.09784	0.6
373.25842	0.9
455.11920	0.5
517.30389	0.9
522.44836	0.4
533.29962	0.8
535.31317	1.3
577.13593	28.3
577.32477	15.1
578.13495	2.4
578.32758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.5
71.01387	4.3
72.99302	0.6
73.02938	1.5
75.00864	1.6
83.01399	0.9
85.02948	1.7
87.00883	1.2
89.02459	5.3
91.01904	1.4
93.03481	3.8
93.65710	0.6
96.96011	2.0
97.02982	0.7
99.00878	1.1
99.04576	0.6
101.02449	2.5
113.02447	1.4
117.03452	0.7
119.03512	1.0
119.05019	1.0
125.02455	1.4
131.03496	0.9
132.02205	4.5
135.00880	4.7
135.06599	0.5
135.64232	0.6
137.02449	5.2
149.02548	0.8
149.04520	2.4
153.01912	2.1
158.67818	0.6
161.13275	0.7
163.00375	1.0
163.03938	1.1
165.03993	2.0
166.95018	0.6
171.04567	1.3
175.03992	1.1
179.05617	1.3
184.05296	0.7
185.06023	1.1
195.04597	0.9
205.12292	1.6
211.04016	63.1
212.04434	3.0
213.05585	6.7
239.03505	41.9
240.04274	11.7
241.04999	4.4
249.11411	1.0
268.03775	57.6
269.04535	33.8
270.04861	2.0
283.06042	1.0
311.05563	2.1
329.06680	1.7
429.17520	1.9
517.23096	1.2
533.13074	1.5
534.12512	0.7
577.15564	100.0
578.15869	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	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27545	0.5
57.18003	0.5
59.01382	26.9
59.14748	0.4
61.98824	1.7
71.01392	1.0
71.07761	0.4
71.50149	1.0
78.95911	27.1
79.05483	0.4
94.43616	0.4
96.96983	0.7
111.08369	0.5
113.89511	0.5
117.54561	0.4
122.98554	0.5
135.52109	0.4
144.79408	0.5
152.99576	3.6
155.30777	0.5
168.04274	4.1
224.06920	9.9
225.09268	0.6
242.08066	3.6
259.20657	0.8
268.03687	0.7
269.04553	0.8
277.21732	100.0
278.22104	5.9
283.06158	1.6
374.57080	0.5
413.21121	0.6
441.22760	0.6
487.17343	0.7
502.29422	75.7
503.29681	5.4
517.25519	0.6
559.29950	0.8
576.30145	1.9
577.15875	0.6
577.31158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
57.03441	3.4
59.01385	12.5
63.55169	1.5
69.59557	5.1
69.59968	3.0
71.01391	8.9
73.02946	3.3
75.00885	2.2
81.03471	3.1
83.01392	3.2
85.02964	4.1
87.00880	2.4
88.98808	2.2
89.02451	4.0
95.01395	1.8
96.96022	15.0
98.19949	2.9
99.04559	3.3
101.02454	3.7
108.02139	2.4
113.02457	2.6
117.03375	1.3
120.01260	5.4
121.02985	2.9
123.04539	29.0
125.02464	5.6
135.04443	1.6
137.02477	1.7
140.32684	1.3
147.06616	1.5
149.02396	1.9
151.00349	2.1
152.01157	5.7
154.85628	1.3
163.04012	2.7
164.14603	1.2
165.05576	1.7
167.03516	100.0
168.03889	1.9
171.10220	2.0
181.05156	3.1
191.03514	22.2
193.05095	1.8
209.04594	7.8
221.04456	3.5
267.07111	1.3
270.12677	1.3
329.08807	36.6
346.30429	1.4
371.09912	7.1
415.12418	1.8
429.10303	1.9
476.23892	1.7
536.79279	1.5
561.50354	1.4
577.17914	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	576.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91870	0.4
57.03448	0.6
59.01388	5.6
60.44897	0.4
60.58321	0.4
63.83529	0.4
70.02986	0.5
71.01393	3.1
71.55415	0.5
73.02959	1.2
87.00862	0.6
89.02457	0.8
96.96028	3.1
101.02444	2.3
111.74688	0.5
113.02437	1.2
120.01263	100.0
121.01623	1.0
123.04530	0.6
125.02413	1.0
131.03497	0.5
144.49359	0.4
145.43533	0.6
149.04544	0.5
155.90700	0.4
180.07457	0.4
196.31796	0.5
251.87895	0.4
397.09219	0.7
532.22437	0.9
544.65009	0.5
557.19232	0.5
576.15552	0.6
576.23755	1.1
577.12286	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	576.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44255	0.3
53.62569	0.4
59.01390	19.8
61.14557	0.4
61.98845	0.9
70.06522	1.7
78.95913	7.1
98.20554	0.7
100.43923	0.4
112.22575	0.4
114.14910	0.4
136.50366	0.4
152.99585	1.8
168.04274	1.4
170.92673	0.4
174.19418	0.4
224.06932	0.8
242.08054	2.9
277.21747	100.0
278.22076	5.1
283.16571	0.4
302.74628	0.4
306.46634	0.4
502.29459	30.5
503.29691	2.6
576.30829	0.6
577.31744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04126	0.8
57.03457	1.3
59.01384	2.0
66.73984	1.0
69.03458	9.9
71.01395	1.7
71.05033	2.9
83.05006	1.4
95.02668	0.9
97.02950	1.7
97.06608	1.9
123.08175	2.6
125.09734	5.0
135.04442	1.1
137.09720	1.3
149.09795	1.4
151.11304	6.8
153.12860	1.9
156.52081	0.9
161.09714	11.5
179.10779	40.2
194.03642	0.8
197.11845	100.0
198.12241	2.9
209.02509	1.0
219.06642	1.0
223.07767	1.3
223.09758	6.8
225.09259	3.9
226.09979	2.2
235.07800	1.1
237.09200	2.4
239.10815	1.6
241.10736	17.3
277.21741	74.4
278.22165	4.3
279.25726	1.0
293.15604	2.6
295.17038	8.0
297.13419	9.9
309.15112	1.0
315.14536	27.9
316.14905	1.4
339.16025	8.4
355.15485	2.3
375.31552	1.0
419.09143	1.1
575.35681	89.9
576.35962	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	576.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01387	4.0
59.31627	0.4
69.83124	0.5
71.01379	1.8
73.02956	1.5
78.95924	0.4
89.02468	1.0
95.16017	0.5
96.96018	2.0
98.20697	0.6
101.00304	0.4
101.02453	1.3
106.38101	0.4
113.02467	0.8
117.03483	2.1
119.03600	0.4
120.01263	100.0
121.01648	1.0
125.02453	0.8
134.33162	0.4
161.04504	0.5
200.60100	0.4
277.05063	0.5
283.06296	0.6
309.33194	0.4
339.04974	0.5
397.09235	4.4
489.69043	0.4
532.22241	0.7
542.61633	0.4
577.13220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	56.0
61.98838	8.1
64.52705	5.7
67.53577	6.2
71.01389	9.6
93.03477	11.6
96.96033	8.9
119.05045	29.4
123.04501	9.7
125.02434	7.1
135.04552	7.0
139.00348	12.1
159.08151	15.8
161.04552	6.4
163.00333	6.1
164.83656	5.8
175.07658	9.6
187.03932	6.7
187.30707	7.0
191.03535	18.2
221.44754	6.2
225.09348	8.6
229.49524	6.1
243.13870	11.7
303.15994	10.0
315.16037	18.8
331.15469	19.9
405.17032	10.0
415.21408	12.5
575.23309	9.6
575.30383	100.0
576.30609	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	575.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98838	13.0
71.01394	20.3
71.55180	4.1
71.55856	2.4
73.02951	14.1
83.01387	3.9
85.02966	4.7
89.02445	9.2
96.96017	8.2
101.02467	13.9
113.02438	11.1
125.02381	2.5
149.04579	4.2
161.04550	6.4
174.73810	2.4
261.14905	3.1
515.28601	3.6
575.29858	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	575.344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85732	0.6
53.29239	0.6
59.01383	11.6
60.03741	0.5
61.98865	0.9
69.34553	5.0
71.01370	2.8
71.05053	0.7
75.57597	0.5
83.05080	1.4
85.02973	0.7
89.02492	1.6
93.03478	1.0
97.06580	0.8
99.00942	0.6
101.02467	3.4
107.05062	1.3
108.02244	2.5
109.03023	1.1
109.71078	0.6
112.98622	0.9
113.02473	1.3
119.03591	1.2
119.05083	2.4
121.03030	2.2
122.03820	0.6
135.04631	1.0
138.36905	0.6
148.05328	0.6
152.01224	1.0
159.08199	1.9
161.02515	0.8
161.04666	1.0
165.07104	0.7
178.61938	0.5
186.46335	0.6
203.07162	0.7
207.08156	2.1
211.07610	1.4
215.07065	0.7
217.08737	0.8
223.07712	3.0
224.08296	0.8
225.09222	2.3
235.07906	1.9
237.09195	1.2
239.07027	1.2
239.10818	0.9
251.07117	5.0
253.09302	13.8
263.07141	1.7
267.06564	0.7
275.69391	0.6
279.06525	0.7
279.23306	100.0
280.23730	5.0
293.15482	0.6
307.13425	1.5
311.16513	0.7
319.09003	0.7
321.11322	0.9
345.18448	0.8
373.17944	1.7
389.17581	10.9
390.17789	0.7
391.18942	0.9
405.16919	2.2
406.17618	0.8
407.18607	2.6
473.30023	0.9
487.24365	1.3
513.29749	1.0
531.34210	2.4
538.99164	0.7
557.28748	1.9
575.29852	22.2
576.30212	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	575.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04221	0.5
69.31531	1.1
69.31944	3.7
74.25569	0.5
78.66363	0.6
85.34113	0.5
87.34290	0.5
96.96015	0.8
111.10817	0.5
149.02420	0.7
149.06105	1.5
161.02379	0.8
187.28174	0.6
225.09218	34.3
226.09641	2.2
237.09207	9.0
239.10849	0.8
251.10895	0.7
279.14050	0.9
281.08176	1.2
293.15533	1.3
295.17068	38.2
296.17487	2.8
339.16028	100.0
340.16327	5.5
557.32623	1.7
575.33771	6.8
576.34296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23493	0.6
56.75879	0.6
59.01109	1.2
59.01385	14.5
71.01389	3.2
71.55099	0.9
78.95940	0.9
83.01393	0.7
85.03004	0.8
86.80394	0.8
89.02447	2.8
91.64876	0.6
96.41791	0.7
101.02444	2.7
113.02476	1.5
119.03478	1.0
119.05042	1.3
121.03006	0.8
161.04616	1.1
225.09305	1.0
232.78317	0.7
235.08188	1.8
253.09337	13.0
263.07208	0.8
275.56335	0.7
279.23309	100.0
280.23712	4.7
367.11890	1.6
389.17554	3.8
407.18225	0.7
455.29510	0.8
473.30649	1.3
476.28650	0.7
575.29895	7.4
576.31897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.1
59.26643	0.8
62.28482	0.7
69.16395	6.4
69.77962	0.8
95.05524	0.8
107.05000	1.0
111.58642	0.8
135.04556	1.3
136.03557	0.6
149.06073	1.7
163.07622	0.9
176.48792	0.7
182.69453	0.7
197.13393	0.9
199.14996	0.8
201.12785	1.8
217.15993	2.9
223.07684	7.9
225.09230	35.6
226.09729	3.3
235.07680	7.1
237.09238	8.2
238.09758	1.1
239.10780	2.0
241.12360	2.1
279.13879	1.2
293.15506	26.0
294.15939	2.2
295.17062	63.9
296.17328	4.2
321.14929	1.2
338.15274	1.9
339.16028	100.0
340.16400	6.0
355.15524	1.2
531.24323	1.0
575.33820	87.5
576.34082	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	575.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81827	0.5
70.29253	1.8
72.19470	0.5
83.42677	0.6
87.04507	0.7
107.05067	0.8
119.05051	0.6
125.61626	0.5
135.04514	2.0
137.09717	1.2
149.02542	0.8
149.06090	2.2
153.23137	0.5
162.66855	0.6
197.11777	0.5
219.17531	1.6
223.07634	2.7
224.08295	0.6
225.09222	38.0
226.09836	3.7
235.07570	2.5
237.09219	10.3
239.10756	1.7
241.12393	3.6
263.07114	0.7
267.10120	0.6
269.08194	1.1
278.13235	0.6
279.13907	0.9
285.11365	0.7
293.15521	8.7
295.17053	52.4
296.17331	2.9
339.16013	100.0
340.16345	7.1
355.15317	2.8
421.46417	0.6
426.92981	0.6
533.94391	0.6
536.03772	0.6
575.33795	67.2
576.34210	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	575.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.8
59.01374	0.8
70.76861	1.9
71.05035	0.9
96.03726	0.9
96.75732	0.8
96.95987	0.8
98.20203	0.8
107.05006	1.4
119.05044	0.9
135.04533	1.8
149.02380	1.2
149.06114	1.4
151.11276	1.1
159.08110	0.9
165.12874	8.2
175.14963	1.3
193.15956	1.2
199.14937	4.2
201.12863	1.4
203.07187	1.5
217.15967	17.9
218.16331	1.0
219.06729	1.2
223.07603	6.0
224.08331	2.0
225.09227	26.6
226.09822	2.4
235.07822	3.6
235.17073	5.0
237.09250	8.1
239.10785	3.2
241.12389	3.4
251.07097	1.1
253.18312	0.9
269.08347	0.9
272.10611	1.1
277.12350	1.5
279.13864	1.4
285.11389	0.8
293.15527	16.4
294.16016	1.2
295.17038	39.9
296.17236	1.8
301.14383	1.6
321.14813	1.7
338.15289	2.6
339.16025	66.5
340.16330	3.7
355.15616	1.5
371.96362	0.9
407.18774	1.1
483.61304	0.8
511.30084	0.9
575.33844	100.0
576.34222	10.8
602.20520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03954	0.8
83.04986	0.8
93.97925	0.7
107.05040	7.1
109.02960	2.5
121.02982	1.2
135.04535	19.8
137.02486	1.1
149.06128	1.4
159.28543	0.7
163.07761	0.9
181.10255	0.9
196.08936	2.0
219.17636	0.9
223.07701	7.5
224.06194	1.2
224.08440	26.2
225.09210	22.2
226.09993	28.4
227.10446	2.3
235.07614	1.6
236.80989	0.7
237.09232	3.1
239.08327	1.7
239.10788	33.8
240.11183	2.1
241.12363	47.1
242.12657	3.1
242.14980	0.7
251.07224	1.1
253.08759	0.8
269.08087	4.4
277.12387	1.1
278.13086	0.9
283.09659	2.3
284.10696	0.8
285.11328	6.3
291.13937	2.8
293.15512	6.4
295.13394	2.1
295.16989	13.1
309.14978	21.6
309.18582	1.3
310.15353	1.1
311.16577	1.3
316.09439	1.3
339.16013	24.8
355.15530	42.9
356.15857	3.7
368.96616	1.0
531.34882	1.6
575.33783	100.0
576.34119	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	575.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82052	0.3
57.03447	0.2
59.01122	0.3
59.01389	3.4
61.07357	0.2
71.01379	1.1
71.55106	0.3
72.99301	0.3
73.02947	0.6
75.00865	0.4
85.02951	0.6
87.00887	0.4
89.02444	0.6
93.03428	0.3
96.96007	0.7
98.09995	0.2
101.02432	0.8
109.02950	0.3
113.02448	0.7
114.03350	0.2
119.03500	0.3
122.06126	0.3
125.02402	0.3
135.02997	1.0
137.02379	0.6
141.07062	0.3
147.01144	0.2
165.07103	10.9
166.07404	0.4
167.05029	3.9
185.00891	0.5
209.06081	100.0
210.06424	5.2
213.09190	0.5
231.10530	0.2
233.06110	1.5
235.07645	0.4
251.06987	0.6
279.72684	0.2
293.04443	0.3
353.10315	2.9
371.11380	5.3
371.16040	0.3
372.11740	0.4
403.95181	0.2
413.12466	3.9
515.28693	0.5
522.00275	0.3
547.21515	0.3
575.30847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.2
59.01385	17.6
64.01463	1.7
66.06647	1.5
68.99798	2.8
69.96945	2.8
69.97350	5.2
71.01395	25.5
72.99306	5.4
73.02936	5.5
75.00872	14.8
78.70651	1.4
79.63182	1.5
79.78822	1.5
81.85706	1.7
83.01384	2.7
85.02959	23.2
87.00885	6.6
88.98808	3.1
89.02448	5.5
91.04015	1.8
93.03462	2.5
95.01394	4.6
96.96025	31.9
98.95609	3.1
99.00896	13.9
101.02438	2.7
103.00367	2.6
113.02465	26.1
115.00398	2.1
116.92849	3.1
117.01952	3.8
117.03465	5.0
117.28849	1.6
119.05036	73.1
120.01263	3.2
120.05348	2.5
121.02956	1.8
123.04489	2.2
125.02448	5.3
127.54196	1.5
137.02470	1.9
145.01915	2.1
145.02972	23.9
147.04527	9.6
148.90703	1.7
151.03981	3.0
157.01378	1.9
163.04034	49.2
165.01918	1.7
175.02481	3.5
205.05081	2.0
237.07695	2.4
249.06151	28.7
267.07239	31.9
351.10706	4.6
353.08804	2.7
369.11688	3.7
395.09656	7.7
412.14526	1.8
413.10883	53.1
414.10974	3.6
575.16162	100.0
576.16272	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	575.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.4
59.01387	28.9
62.22761	4.1
67.90823	3.6
69.18618	37.9
71.01393	24.0
72.99310	11.3
73.02949	6.1
74.02477	6.0
75.00900	4.3
78.26822	3.8
85.02947	10.7
87.00880	8.6
89.02468	11.0
96.96017	54.1
98.19843	7.9
98.95639	5.2
99.00883	8.3
101.02438	10.6
109.02962	7.1
113.02463	10.4
116.03527	5.8
116.92879	19.2
119.05033	13.6
120.01268	46.7
121.03018	4.2
121.62952	3.9
123.04503	12.5
125.02448	14.3
129.15843	3.8
145.02957	4.8
147.04556	4.6
148.04053	4.3
148.05267	7.3
151.03998	9.9
159.04535	4.9
160.05345	8.7
161.02463	5.2
161.06000	4.6
162.06856	5.0
163.04001	14.2
164.04883	4.0
165.05598	8.4
172.05353	4.1
173.06039	5.0
177.05548	19.2
188.04747	11.4
189.05542	6.8
190.02795	4.6
190.06343	4.4
193.08670	4.1
195.06580	5.1
202.06340	6.9
203.07224	7.7
204.04329	5.7
205.05009	7.0
216.04271	11.3
217.08682	15.4
219.06726	20.0
221.08211	7.6
231.06721	18.5
233.04573	7.2
235.06149	12.9
246.99998	3.9
249.07726	17.5
251.05675	6.1
267.07224	5.1
279.50842	3.8
291.08728	4.4
293.06671	23.4
353.08789	100.0
354.09238	9.0
389.34216	4.0
413.10818	5.4
426.06995	4.3
499.09381	4.3
515.23114	4.0
522.11023	3.8
531.12701	15.3
558.16620	4.2
568.56158	3.6
575.15729	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34696	1.1
57.03448	10.8
58.16241	1.3
59.01106	1.5
59.01384	17.9
65.00336	1.2
69.03456	1.6
71.01376	6.5
73.02925	2.8
83.01399	6.8
85.02943	3.3
89.02425	4.0
93.03444	4.1
95.01374	2.7
95.05034	1.4
96.96013	13.5
97.02941	3.4
98.20768	2.5
99.00876	1.8
99.04514	1.6
101.02452	5.5
108.02171	2.6
109.02956	21.2
113.02422	4.5
113.15047	1.0
116.92824	3.6
117.03442	1.5
118.98107	1.6
119.03468	1.8
119.85323	1.0
121.02958	12.3
122.03747	1.7
123.00908	1.5
123.04524	14.0
125.02455	77.5
126.02803	2.2
126.90430	5.0
133.02991	2.3
135.00836	2.0
135.04556	1.6
137.02449	22.2
139.03987	3.7
143.05048	2.4
145.03043	1.2
147.00879	5.6
147.04462	3.9
148.01671	1.7
149.02477	11.0
150.03220	2.5
151.00410	2.8
151.04027	9.2
152.01140	2.4
157.06508	1.2
159.04474	3.1
160.01628	1.6
161.02463	18.9
161.04482	1.7
161.06071	3.9
162.03149	3.6
163.00388	31.1
163.03995	4.1
164.01143	8.4
165.01949	14.0
165.05553	1.2
171.04526	2.9
173.02443	1.9
173.05963	2.6
174.03207	4.0
175.04005	17.6
176.01132	6.9
177.01933	14.0
177.05472	1.7
179.03413	2.2
179.05563	1.3
183.04472	1.4
185.06046	4.2
187.03983	7.8
188.04796	1.9
189.01913	2.5
189.05519	4.3
190.02681	1.6
191.03438	2.4
195.04489	2.0
198.03146	2.6
199.04041	9.5
200.04640	1.5
201.01917	4.8
201.05545	2.5
202.06303	1.6
202.99864	1.6
203.03540	2.5
203.07085	8.9
205.01285	2.0
205.04996	5.4
209.06099	1.6
211.03990	1.9
212.04732	1.9
213.05583	5.6
214.02766	2.1
215.03468	4.7
215.07195	1.6
217.01576	1.9
217.05078	9.8
225.05571	2.8
227.03473	5.4
229.05089	4.3
230.05780	2.1
239.03474	1.7
240.04201	3.0
241.05016	9.1
242.02275	1.4
243.03041	6.4
244.03571	1.5
245.04558	4.1
245.08191	9.9
253.04907	3.0
255.02954	8.9
255.06305	1.7
256.03708	3.9
257.04568	10.2
265.04880	1.6
267.03146	2.5
268.03488	1.9
269.01291	1.3
269.04507	4.7
271.06100	1.3
272.03232	1.9
273.03824	1.5
279.03201	1.2
281.04510	3.6
281.07977	2.1
283.02600	2.1
283.06046	4.3
284.03256	2.8
285.04059	100.0
286.04346	5.1
287.02469	2.1
287.05621	9.0
289.07202	58.5
290.07745	1.6
297.03967	7.4
301.03403	3.0
307.06125	9.6
309.03873	3.6
313.03464	1.4
315.01563	2.6
319.06064	3.3
320.06848	2.2
327.05161	7.5
361.07330	1.9
363.08783	1.7
387.04959	4.8
388.05936	2.9
407.07806	14.2
409.08926	1.5
411.07193	9.3
413.12509	2.4
415.04395	1.9
423.07217	36.5
424.07419	5.0
434.06677	1.9
435.06894	4.3
436.07889	1.4
447.07364	5.5
449.08768	58.4
450.08887	4.9
452.07611	16.9
453.08170	5.6
471.10464	2.9
477.06320	1.4
478.07129	2.1
513.11951	2.3
531.12952	2.3
539.09906	20.7
539.33966	2.7
540.09961	1.8
557.10925	5.3
575.11841	55.0
575.31207	2.7
576.12268	7.6
578.67371	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	574.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08074	0.2
51.58791	0.2
59.01377	1.3
61.98836	100.0
69.89301	0.7
71.01398	0.4
84.66222	0.2
86.71195	0.2
87.00853	0.2
89.02449	0.2
96.96051	0.2
101.02480	0.3
164.83667	0.3
231.48936	0.2
234.33388	0.2
421.12650	0.2
447.37259	0.2
514.27911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52044	0.3
55.74708	0.3
69.03475	0.3
69.49920	1.5
69.50324	0.7
71.01363	0.4
72.99303	0.4
79.19307	0.3
81.03474	1.4
83.05035	4.2
83.64980	0.3
88.45173	0.3
107.61857	0.3
107.84564	0.3
109.02985	0.4
111.06926	3.2
120.56096	0.3
126.09261	27.0
127.09592	0.6
128.10844	1.6
154.08757	1.0
170.08231	0.9
172.09822	1.3
186.11389	0.9
204.12418	100.0
205.12750	3.3
334.06302	0.3
369.14117	1.3
483.61322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13238	0.3
55.01879	1.1
57.03450	1.2
58.00590	1.8
59.01384	42.4
61.38375	0.3
63.59892	0.2
63.99300	0.3
69.19171	2.9
71.01389	26.7
71.98048	0.3
72.99320	2.0
73.02956	1.7
75.00863	0.4
79.05541	0.3
81.19683	0.2
83.01393	2.4
85.02961	5.5
87.00886	1.8
89.02452	16.4
89.03990	0.4
91.01961	0.3
94.46011	0.3
95.01391	2.0
96.96009	0.7
99.00897	0.9
101.02451	12.5
105.03500	0.3
107.05017	1.3
108.02222	0.3
112.94662	0.3
113.02466	7.4
117.03503	0.7
119.03519	7.4
121.02941	0.6
123.00863	0.4
125.02483	0.8
131.03540	0.7
133.02968	10.1
135.03065	0.3
135.04532	1.7
137.02451	0.3
143.03510	0.9
148.01695	0.3
149.02460	0.8
149.04594	0.4
157.06616	4.3
159.04530	2.1
161.02454	46.3
162.02798	1.6
163.00392	1.2
163.04034	0.4
167.01862	0.3
173.06096	1.2
174.03191	0.3
174.06862	2.2
175.04054	1.9
175.07646	4.6
176.01279	0.4
176.04797	8.9
177.01952	0.7
177.05336	0.4
179.03575	0.4
179.05591	0.8
185.02457	0.4
185.06122	0.3
187.00366	0.9
187.03998	1.9
190.06366	0.6
193.08623	0.6
199.07571	0.4
201.05586	8.7
202.02715	0.3
202.06343	2.6
203.07108	0.3
203.45523	0.3
217.04977	0.4
219.06664	0.5
227.03532	0.4
229.05058	0.8
240.07988	1.1
249.09393	0.4
255.03020	0.7
263.10733	0.4
263.21030	0.3
265.08707	0.4
275.10696	0.3
291.10324	1.1
293.08524	0.5
301.08542	0.3
304.07217	0.3
307.06601	0.4
307.09738	2.2
308.03195	0.3
317.08261	0.6
319.06268	0.5
319.09714	2.9
323.05630	1.1
334.12122	0.6
335.05646	0.6
335.09149	2.9
337.07166	0.6
338.07956	1.3
345.07721	1.5
348.06503	0.3
349.10895	0.4
350.07886	0.5
350.11707	0.7
351.08505	0.4
353.10373	1.0
363.08759	22.7
364.09003	1.7
365.10110	0.9
377.10333	1.8
378.11075	8.7
379.11694	1.5
381.09875	2.0
393.13461	92.7
394.13751	7.5
395.15155	2.0
396.12070	0.6
411.14471	9.0
412.14902	0.8
429.10452	1.2
497.46506	0.3
543.15125	1.8
544.15741	0.3
547.13409	0.3
558.17615	2.6
573.19769	100.0
574.20093	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	573.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20972	0.2
57.03447	0.5
59.01387	2.2
67.99593	0.2
71.01386	0.8
73.02953	0.4
79.95749	2.8
85.02963	0.9
87.00903	0.3
89.02459	0.5
96.96021	100.0
97.95935	0.3
98.20678	0.5
98.95623	0.2
101.02434	0.7
103.67252	0.2
113.02426	0.3
114.93387	0.3
116.92879	0.4
125.02491	0.3
128.18475	0.2
134.03770	0.5
138.17801	0.2
147.06671	0.4
229.31703	0.3
237.63158	0.2
243.58170	0.2
249.06221	0.4
285.04147	0.4
353.68970	0.2
431.22827	0.2
537.32806	1.7
573.10138	0.2
573.18793	0.6
573.30505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08207	0.2
57.03437	0.2
59.01385	4.1
61.71495	0.2
70.92915	0.2
71.01394	0.7
71.54964	0.2
73.02942	0.5
75.00877	0.5
78.95930	0.3
79.95744	2.9
83.01366	0.3
89.02467	0.6
95.01432	0.2
96.96018	100.0
101.02453	0.7
113.02446	0.7
114.93417	1.0
119.03548	0.3
124.79398	0.2
130.19437	0.2
135.03012	0.9
147.95068	0.2
246.20724	0.2
249.06291	0.2
250.51936	0.2
285.03574	0.2
319.49030	0.2
363.20267	0.3
426.28723	0.2
431.22968	0.3
529.26642	0.7
573.14221	0.4
573.28949	0.3
600.05096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.1
69.34589	2.1
71.01385	1.0
72.97586	0.3
73.02947	0.9
75.00875	0.6
78.95880	0.2
79.95747	3.7
85.02946	0.5
88.53679	0.3
89.02453	0.5
96.96021	100.0
101.02459	0.7
110.20905	0.3
111.00883	0.3
113.02483	0.3
113.92680	0.3
114.93462	1.5
116.92860	0.8
135.03012	1.2
195.21828	0.3
342.43661	0.3
345.27444	0.3
402.78436	0.3
529.26654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69339	0.4
55.58047	0.3
57.03445	0.5
58.36888	0.3
59.01384	16.3
61.98846	0.4
65.91245	0.3
66.09909	0.3
69.03465	1.0
71.01389	9.9
71.83993	0.3
73.02958	6.6
83.01384	0.7
85.02955	1.6
87.00883	3.0
88.98797	0.4
89.02452	29.7
96.96018	5.4
99.00868	0.4
99.04539	0.5
101.02463	2.6
103.04008	2.1
108.98317	0.3
113.02468	2.1
116.92882	0.5
119.03492	0.6
121.02962	0.6
121.06894	0.4
122.84219	0.3
125.02438	0.4
131.03520	9.3
135.02982	0.5
135.04550	3.9
149.04567	100.0
150.04915	1.5
161.04564	0.7
163.04022	34.6
164.04359	1.0
177.05531	0.5
178.06366	30.5
179.06808	0.8
193.08705	48.0
194.08997	1.6
206.26530	0.4
217.50079	0.3
251.11401	0.4
283.14709	0.4
285.03882	0.4
307.19235	0.6
513.26428	0.5
529.26245	1.5
573.16180	0.4
573.29883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.0
55.56327	2.3
57.03447	13.3
59.01386	100.0
68.62238	2.3
69.44904	15.6
70.85710	2.2
71.01012	4.3
71.01388	48.6
73.02956	14.6
75.00862	3.1
77.74543	2.2
83.01397	10.2
85.02949	25.8
87.00887	5.3
89.02451	18.5
95.01433	3.2
96.96021	95.6
97.02946	4.2
99.00898	25.6
99.04517	5.6
101.02448	28.1
108.02265	2.7
109.02934	3.0
111.23675	2.7
113.02461	29.9
116.92873	3.1
118.93797	2.4
119.03513	6.6
121.02942	2.7
123.04508	3.4
125.02426	7.5
131.03448	3.3
135.02986	2.8
137.02423	6.2
143.03525	16.9
148.05321	16.6
149.04523	5.0
155.03502	4.3
161.04567	8.7
163.07651	7.4
179.03464	2.8
179.05566	8.6
203.05711	4.6
243.18944	2.7
265.26889	2.5
307.19189	4.6
323.09814	5.2
429.21201	8.7
441.21573	2.8
471.22125	8.0
480.14600	2.7
511.24945	4.0
529.26245	15.6
573.27893	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	573.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	4.1
59.01384	7.0
62.46320	1.0
69.53721	7.0
71.01030	1.2
71.01376	5.7
72.99313	16.0
73.02959	1.0
75.00860	3.9
79.95779	1.6
80.95411	1.0
82.17883	1.3
83.01367	1.8
85.01038	7.4
85.02952	3.4
87.00882	4.5
89.02438	3.1
93.03477	7.0
96.96021	68.3
98.19886	1.2
99.00886	2.9
101.02427	1.4
107.05044	7.4
109.02955	1.0
109.08280	1.0
113.02438	3.9
115.02098	1.5
119.05025	3.7
121.02966	2.3
121.50285	1.1
122.83749	1.1
123.04500	1.2
125.02386	1.9
129.03664	4.4
130.04247	0.9
133.02946	3.6
133.29883	0.9
135.04517	3.0
145.03113	2.7
147.04546	5.7
149.06102	9.8
163.04019	3.4
165.05580	56.0
166.05882	2.8
169.56087	0.9
173.06273	3.3
175.03937	1.3
179.03520	14.7
181.05077	1.4
187.04236	1.1
193.05077	14.1
209.04610	1.0
255.05113	71.2
256.05463	3.2
309.11887	1.7
320.31555	1.2
335.11566	15.7
420.06335	1.1
483.16800	1.9
511.16199	1.5
537.25482	3.4
573.16284	100.0
574.16461	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	573.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03432	1.3
59.01386	37.6
61.98845	6.3
65.00329	20.0
67.01906	1.5
68.99844	1.1
71.01382	7.2
71.55060	1.1
73.02975	2.3
75.00899	1.1
79.05528	7.8
83.01363	0.9
85.02964	3.0
87.00883	1.4
89.02450	4.1
95.01396	1.3
96.96033	2.5
101.02437	3.6
103.05549	7.2
105.07103	3.0
107.05028	7.1
111.00893	2.8
113.02500	3.9
125.02393	0.9
126.94887	0.9
129.07133	2.8
130.04277	0.9
131.05037	7.3
137.02458	1.1
145.06609	2.0
147.04565	2.1
149.06102	11.0
151.88272	1.0
156.71394	1.0
161.02448	3.0
173.06078	18.2
175.04021	3.2
177.02032	1.5
179.03526	1.1
187.04207	0.9
189.05594	6.1
193.05055	2.0
217.05070	79.5
218.05405	3.1
227.03587	1.0
229.04962	1.1
239.03574	1.4
251.03447	0.9
277.08698	0.9
279.03113	0.9
280.07483	1.0
281.21793	0.8
285.04007	1.0
305.08240	1.4
322.08463	1.3
325.14798	1.3
325.23871	1.2
333.07666	1.1
334.08453	1.3
350.07932	2.0
358.88052	1.0
361.07019	1.8
362.07895	3.3
363.08783	1.2
365.10208	3.6
367.08359	2.2
378.07495	2.8
393.09796	100.0
394.10150	6.8
411.10840	20.5
412.11319	1.4
513.30701	6.9
531.32104	1.4
573.19324	3.8
573.30597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.6
58.37386	2.0
59.01386	57.2
61.98837	9.4
65.84258	1.6
68.80615	1.9
69.33139	9.1
69.33553	4.4
71.01389	4.7
73.02952	4.9
83.05019	3.5
85.02952	3.4
89.02448	4.0
96.96025	3.3
101.02440	4.6
113.02442	4.3
134.69760	1.7
135.04597	2.2
160.84151	4.0
162.83946	5.6
163.11307	3.1
165.12831	2.0
171.10257	5.3
193.06390	1.8
209.11847	100.0
210.12161	5.1
227.12920	9.0
265.57156	1.7
312.34357	1.9
333.67554	2.0
357.45438	2.5
571.19537	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	571.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75536	0.8
55.01883	1.1
57.03449	1.8
59.01385	100.0
61.98837	29.5
69.03446	1.0
71.01390	9.1
71.05020	1.4
71.55286	1.4
72.99312	1.1
73.02953	3.2
75.00870	1.2
81.03545	0.9
83.01387	1.2
85.02957	5.1
87.00867	1.4
89.02437	3.1
96.95980	4.8
97.74892	0.8
99.00902	2.3
100.71133	0.8
101.02444	5.9
113.02430	5.7
116.92894	1.4
117.57233	0.8
129.05582	1.1
137.02446	1.7
161.02431	1.0
161.04582	2.2
188.06024	0.9
211.13455	0.8
213.09190	1.9
267.07071	1.0
295.18689	1.0
431.14371	1.1
485.31134	3.7
511.29138	2.0
527.32465	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	571.2895
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
54.17401	0.6
55.77061	0.6
57.76128	0.5
62.01369	0.6
69.53486	2.8
71.68610	0.5
78.95911	64.1
96.96971	13.5
105.00146	0.6
150.98022	1.0
152.99603	62.7
153.99901	0.7
154.35078	0.5
171.00624	1.0
223.00185	2.4
241.01210	31.4
242.01460	0.8
255.23314	77.1
256.23618	3.4
271.64679	0.8
315.04929	9.8
391.22690	6.3
571.28918	100.0
572.29169	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	571.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51345	1.0
67.89831	1.0
69.43763	3.4
69.44191	4.2
80.96511	1.9
82.04945	1.2
82.96088	1.5
94.98112	1.6
98.20602	2.5
107.05046	1.6
109.06612	2.3
120.05830	2.6
125.90567	1.1
134.03792	1.3
135.04535	2.5
147.04564	2.6
148.05286	1.5
149.06047	1.5
152.04829	1.3
163.11307	14.0
173.06110	1.7
185.06090	2.5
189.05533	1.2
197.06212	1.1
203.10849	2.5
225.09232	10.5
226.09941	3.4
227.10767	1.2
237.09149	1.3
239.10808	4.0
241.12326	1.5
251.10832	3.3
255.13925	2.2
259.13293	1.5
279.13864	1.7
281.15366	2.6
293.15552	4.8
295.16983	2.8
305.19031	1.2
331.17047	4.5
333.18457	2.4
349.17987	3.7
377.69827	1.2
487.75742	1.2
495.29108	2.4
520.76007	1.2
527.31665	29.6
527.39490	2.3
528.31982	3.1
571.30640	100.0
572.30713	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	571.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
56.94417	0.7
57.03445	0.9
58.00586	1.3
59.01384	40.4
60.01715	0.6
64.87457	0.6
69.36201	1.6
69.36610	4.4
71.01390	20.6
72.34379	0.6
72.99309	1.5
73.02946	1.8
83.01386	1.8
85.02952	5.4
87.00884	2.3
88.49510	0.6
89.01939	1.0
89.02454	12.6
95.01389	2.2
96.95998	3.4
99.00897	1.5
101.02443	10.0
107.05048	0.9
111.10356	0.6
113.02450	7.6
117.03444	0.9
119.03518	4.0
121.02958	1.3
123.04540	0.8
133.02945	3.0
135.03021	0.7
135.04539	0.7
137.02441	1.1
145.02921	1.1
145.06601	0.8
149.02429	1.3
149.04570	0.8
159.04520	1.5
161.02455	28.6
162.02815	1.0
163.00400	1.7
163.03999	1.2
163.07626	1.1
165.01923	0.8
173.06073	6.4
175.03999	1.7
176.04776	3.0
177.01927	1.0
179.05679	0.7
187.00311	1.8
187.03993	1.0
188.04829	1.7
189.05522	0.8
191.07191	1.3
201.05573	2.6
202.02327	0.7
202.06223	0.7
216.04306	0.8
217.05025	2.9
218.05710	0.9
289.08804	0.8
311.05768	1.1
317.08438	0.8
321.03879	0.9
325.07144	1.0
333.07932	1.4
337.07028	1.7
351.08795	2.8
361.07288	8.1
362.07544	0.8
363.08832	1.3
365.10513	0.8
371.14767	1.0
376.09528	3.4
377.10532	1.2
379.08194	2.9
391.06940	1.3
391.11923	25.6
392.12262	2.3
393.09464	1.2
393.13788	1.8
394.10867	1.1
408.12079	2.8
409.12881	10.1
415.69403	0.8
418.40353	0.8
436.04099	0.7
451.13940	1.6
537.96490	0.8
541.13141	0.7
556.15948	1.7
571.18237	100.0
572.18536	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	571.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03457	1.3
58.00591	1.7
58.30799	0.4
59.01386	36.3
61.98817	0.5
66.26865	0.4
69.23565	3.5
69.23985	1.1
70.23051	0.4
71.01389	19.8
72.99306	1.9
73.02953	1.5
75.61444	0.4
83.01395	1.7
85.02954	4.7
87.00873	1.4
89.02457	13.1
95.01388	2.2
96.96025	1.5
98.20673	1.0
99.00886	0.8
101.02452	10.9
113.02461	6.4
119.03519	5.3
121.02984	0.8
121.46860	0.5
123.00865	0.7
123.04524	0.5
131.03528	0.6
133.02956	3.7
135.00845	0.5
137.02406	0.5
145.02963	0.7
145.06645	0.6
149.02481	0.8
157.06522	0.8
158.03746	0.8
159.04565	1.0
161.02464	26.5
161.06084	0.7
162.02997	0.5
163.00401	0.9
163.04050	0.6
165.01950	0.6
171.04518	0.5
173.06116	4.9
174.06747	0.6
175.03983	1.2
176.04822	3.9
177.01949	0.6
179.03488	0.6
187.00401	1.8
187.04018	1.3
188.04817	0.6
189.05563	1.3
191.07214	1.2
191.49553	0.5
201.05577	2.5
202.06271	0.5
203.03491	0.7
216.04329	1.1
217.05142	2.4
218.05739	0.9
219.06650	1.0
255.02878	0.5
289.09048	0.4
293.04572	0.6
307.09784	0.6
315.06589	0.6
317.08368	1.1
321.04214	0.7
323.05701	0.9
325.07410	0.6
333.07776	1.0
335.09448	0.8
337.07257	1.4
338.08057	0.6
339.08566	0.9
351.08783	3.0
361.07193	7.8
362.07880	1.0
363.08755	1.5
375.08777	0.8
376.09479	3.6
377.10065	1.4
378.11389	0.5
379.08093	2.1
391.11905	28.1
392.12283	1.4
393.09354	1.1
393.13986	2.3
394.10587	1.5
408.12375	2.5
409.12939	11.1
410.13181	1.0
451.13956	1.1
541.14008	0.6
556.15735	1.5
571.18243	100.0
572.18597	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	571.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75848	3.5
59.01385	56.9
62.15878	3.5
63.61468	3.3
70.47674	12.5
71.01385	23.3
72.99359	4.2
73.02948	19.9
75.00865	6.4
83.01405	5.0
85.02958	15.4
89.02457	6.4
96.96021	47.1
99.00897	5.0
101.02464	19.7
104.23882	4.0
107.35429	3.7
109.02959	3.7
111.00838	4.3
112.79895	4.3
113.02455	13.8
125.86633	4.4
131.03532	4.4
136.00681	3.6
142.95680	4.1
145.07719	7.6
145.82948	4.2
147.04439	4.9
152.01088	11.5
160.06430	8.4
161.04466	4.4
161.07219	64.3
175.08762	14.4
178.04808	3.5
189.06709	100.0
190.07378	3.6
201.10434	8.8
203.08269	13.6
203.11887	13.2
205.45378	3.7
221.04445	4.2
229.09816	9.5
249.06056	7.9
267.07083	8.6
304.34668	3.7
305.11487	38.3
405.37439	4.0
447.11395	6.5
467.16626	14.1
485.16769	4.8
511.18158	12.4
527.18658	44.7
528.19006	5.6
569.61676	4.1
571.20758	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	570.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29479	0.2
56.58971	0.2
57.03457	0.3
59.01385	2.8
61.98836	100.0
62.98531	0.3
63.67247	0.2
63.83232	0.2
64.51631	0.2
69.03466	0.2
69.23248	1.6
71.01387	1.2
71.05092	0.2
72.99310	0.2
73.02947	0.2
82.95445	0.3
85.02982	0.3
87.00901	0.3
89.02477	0.5
95.01406	0.2
96.96034	0.9
99.92653	0.2
101.02450	0.6
107.41341	0.2
109.02955	0.2
113.02474	0.6
116.92892	0.5
121.02995	0.2
125.02499	0.3
134.06114	0.2
137.02521	0.4
138.05592	0.2
150.03250	0.2
154.08774	0.6
159.10471	0.2
167.98624	0.5
261.85156	0.2
267.11374	0.2
269.04498	0.2
355.13071	0.8
361.07266	0.4
365.13531	0.2
387.15579	0.4
391.12003	1.0
409.09500	0.2
570.11969	0.3
570.28546	0.4
571.12518	0.3
571.27509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.17
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.1
59.53738	0.3
69.86308	0.4
71.01389	1.7
71.54591	0.4
73.02962	0.5
75.00906	1.4
78.95901	0.6
79.95754	3.0
85.02970	1.7
87.00888	0.7
89.02459	0.6
96.96021	100.0
99.00890	0.7
101.02453	0.5
113.02473	2.2
113.92586	0.4
114.93433	1.1
129.01999	0.3
249.06154	2.7
267.07178	1.9
395.50235	0.3
406.87888	0.3
437.15967	0.3
511.18326	3.1
512.51385	0.3
571.11981	0.6
571.20251	5.8
593.39142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3006
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
53.08819	0.8
61.96444	0.7
62.58982	0.7
67.51500	1.0
71.01384	5.9
71.37731	0.8
78.46530	0.8
78.98598	6.7
79.95744	10.0
80.96526	63.4
85.02962	2.6
87.00872	1.9
94.97503	1.1
94.98100	15.3
96.95990	0.7
98.19889	2.1
101.02449	1.8
106.98078	3.1
113.02377	0.8
117.29052	0.8
121.71231	0.7
122.19261	0.7
122.97598	2.3
125.02447	2.5
134.97594	4.7
136.99191	1.7
148.99149	6.5
152.98680	4.4
164.98666	10.7
206.99693	2.4
225.00763	11.5
229.51183	0.9
269.24857	2.8
299.04422	2.9
309.62729	0.8
463.28418	3.1
569.23511	4.8
569.30084	100.0
570.30304	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	569.1902
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
55.01872	0.7
58.01200	0.4
59.01115	0.7
59.01389	9.9
61.98822	0.8
68.99809	1.2
71.01395	6.7
71.53796	0.8
72.99313	2.4
73.02949	1.0
75.00892	5.1
75.02547	0.6
83.01398	1.5
85.01038	5.1
85.02951	3.7
85.13603	0.5
87.00869	1.9
87.04523	0.5
88.98820	2.5
89.02467	2.6
95.01397	1.1
96.96033	3.6
98.00083	0.6
99.00884	2.0
99.04562	0.5
99.08183	1.2
101.02444	3.7
103.00403	2.4
109.02990	1.0
111.00890	1.0
112.98838	5.9
113.02464	4.8
115.00352	1.8
115.02148	0.7
117.01956	1.1
119.03526	0.5
119.05011	0.6
124.93201	0.5
124.98811	0.7
125.02505	0.9
127.00343	0.5
127.04028	0.9
127.85715	0.5
129.01979	1.2
129.78999	0.5
131.03564	0.5
139.00404	0.8
142.99916	0.7
143.05214	2.1
145.01456	11.8
145.03128	1.2
145.05203	0.6
151.03925	0.6
157.01416	1.8
157.03188	1.0
163.06133	0.7
169.03076	0.8
169.06836	0.6
175.02475	0.5
177.70584	0.5
187.04288	0.9
187.07858	1.6
205.05246	0.9
241.01534	0.7
251.73195	0.5
285.83643	0.5
331.12134	0.6
333.06393	2.2
347.07983	0.6
349.13153	11.9
363.14838	1.4
389.12576	0.6
391.14294	1.4
421.11368	1.6
433.15176	0.7
537.16571	1.6
569.19031	100.0
570.19366	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	569.1896
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
50.50771	0.5
55.01871	1.1
57.03437	0.7
59.01386	5.4
68.99816	0.5
69.66024	0.9
69.66435	2.1
71.01388	5.3
72.99302	1.6
73.02953	0.5
75.00874	4.4
83.01384	1.7
85.01039	4.2
85.02977	2.8
87.00881	0.6
88.98811	1.5
89.02444	2.2
96.96003	1.9
98.20659	0.6
99.00893	2.7
99.08196	0.6
101.02457	3.5
103.00354	1.3
111.00874	0.8
112.98831	5.6
113.02451	4.6
115.00361	1.9
115.02068	1.0
117.01987	0.7
118.23218	0.5
127.02105	1.0
129.01935	0.9
131.23334	0.5
136.01698	0.6
142.99866	0.6
143.05264	2.6
143.07092	0.6
145.01447	10.1
145.02592	0.7
145.03128	1.3
151.04028	1.3
157.01402	1.4
157.03140	1.0
165.01913	0.5
187.02449	0.9
187.04190	1.1
187.07805	1.5
247.05923	0.5
263.05914	0.9
270.79678	0.5
320.20947	0.6
331.12152	0.8
333.06357	2.1
347.22272	0.5
349.13123	11.7
350.13510	0.9
363.14615	1.6
391.14157	1.7
421.11557	1.3
425.10754	0.5
477.14362	0.7
533.06189	0.6
537.16302	1.5
569.18994	100.0
570.19513	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	569.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49969	0.2
53.31191	0.2
59.01154	0.2
59.01389	2.2
64.08303	0.2
71.01385	1.2
73.02940	0.7
75.00890	0.2
79.95743	3.1
83.01404	0.3
85.02950	0.7
87.00872	0.3
88.89820	0.2
89.01913	0.2
89.02433	0.9
94.20699	0.2
94.98087	0.3
96.96018	100.0
99.00930	0.3
100.97125	0.2
101.02432	1.3
106.45882	0.2
108.02203	0.2
111.63764	0.2
113.02477	0.6
114.93398	0.5
123.04514	0.5
125.09785	0.2
131.03484	0.2
137.46590	0.2
149.04495	0.4
161.04562	0.4
164.21594	0.2
165.05531	0.3
167.03494	0.7
167.82256	0.2
171.10275	0.6
181.05119	0.4
182.48697	0.2
229.81155	0.2
246.93291	0.2
401.04568	0.2
437.24149	0.8
438.14825	0.2
551.30768	0.3
569.20703	0.3
569.32312	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
57.03451	3.7
58.00592	1.8
59.01387	100.0
67.01884	2.9
68.99807	1.5
69.03450	3.5
69.85179	5.4
71.01390	18.9
72.99323	6.8
72.99678	1.4
73.02960	7.5
75.00881	8.5
81.03463	7.0
83.01402	4.6
83.05029	4.9
85.01007	2.2
85.02958	46.5
87.00883	2.4
88.98855	1.3
89.02448	8.5
93.03464	7.6
95.01398	26.9
96.96024	6.5
97.02968	2.5
99.00881	4.0
99.04544	5.2
101.02461	10.9
103.04025	5.8
107.05000	1.6
109.02956	13.3
111.00893	8.1
111.04560	1.8
112.98824	4.2
113.02470	18.5
115.00380	1.7
119.03522	2.2
123.04509	2.8
125.02469	2.2
127.04025	28.0
137.02477	5.2
139.00388	22.7
141.05576	2.8
143.05231	1.4
145.01433	4.8
145.03183	1.2
145.05072	15.4
149.02431	2.1
151.04031	1.5
153.01976	2.8
155.03503	15.8
157.01447	2.1
163.06133	4.3
167.03535	1.4
169.05077	4.7
171.02998	4.9
179.03532	1.7
181.01456	3.9
191.05659	1.7
195.06731	1.5
199.02493	47.6
217.03426	1.2
234.29008	1.1
241.03554	3.4
241.07227	1.7
257.06769	1.5
259.08228	1.6
283.79434	1.1
285.06183	4.9
301.05798	1.8
333.06204	1.9
345.08295	13.1
346.08231	1.3
349.13199	7.9
363.09528	1.8
387.09378	12.4
391.14169	1.5
405.10468	10.8
423.11325	2.8
465.12326	5.3
551.16180	4.6
569.18982	59.0
570.19287	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	569.1435
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
50.26805	0.9
53.72004	0.9
57.03448	1.0
59.01379	10.2
61.98822	1.3
69.46020	7.1
69.48200	0.9
71.01396	4.7
73.02937	1.5
75.00870	1.4
85.02975	2.5
87.00841	1.7
89.02443	2.7
95.01379	1.3
96.96022	10.2
98.20650	2.1
101.02431	3.4
113.02467	1.8
119.03501	1.2
133.03006	1.1
135.04489	1.1
137.02414	1.5
149.04463	1.3
161.04471	1.2
163.03943	0.9
164.03500	1.7
165.05695	1.3
165.07050	5.4
167.03514	1.4
167.04955	2.3
175.81406	0.9
197.74654	0.8
201.68144	1.0
209.06088	100.0
210.06458	4.7
269.04440	1.2
371.11368	37.7
372.11804	2.1
476.50482	1.0
569.14240	31.2
569.22620	2.7
570.14899	2.9
570.25024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13422	0.7
57.05521	0.7
59.01379	5.0
61.98851	3.8
63.47157	0.7
69.51348	5.5
71.01376	1.9
94.06628	1.9
104.05109	1.4
106.06641	1.7
107.03811	5.0
108.08270	1.1
110.02423	0.8
120.04569	1.0
121.05338	16.5
122.06136	40.9
124.04005	0.8
124.07698	1.1
132.04562	58.5
133.04970	1.1
134.06113	2.8
135.06914	4.4
136.04033	0.7
136.07724	5.5
138.05615	2.5
144.04568	0.9
146.06146	1.0
148.04053	1.6
149.04782	3.3
150.05605	3.1
152.07184	100.0
153.07526	3.2
158.02501	3.0
160.04079	5.0
162.05614	2.8
164.03546	5.9
164.07190	2.6
166.05069	4.8
167.05869	3.4
176.03540	21.6
177.03903	1.0
190.05104	13.5
191.05879	7.9
192.06732	1.2
194.29044	0.7
195.05138	1.3
212.09485	0.8
223.08725	2.2
229.45798	0.8
235.08632	1.0
236.09581	1.8
237.10452	1.7
239.08238	4.2
239.11871	1.0
249.10341	1.0
251.08200	3.4
251.11922	4.0
253.09685	1.3
254.14304	1.0
265.06110	0.9
265.09830	1.5
266.10657	1.3
267.11337	1.0
278.95236	0.9
279.07733	3.2
279.10925	0.7
280.08508	3.4
280.12311	0.7
281.09280	1.3
283.10938	1.5
293.09329	3.1
295.10938	5.5
296.11746	2.1
297.12430	8.0
298.13068	1.7
311.10373	3.1
312.11264	6.9
312.14603	1.4
313.11972	4.3
322.99936	0.9
323.10443	3.4
324.10962	1.4
325.11963	2.4
327.13446	3.2
341.11438	61.0
342.11951	3.7
355.12997	20.8
356.13791	43.1
357.14243	1.8
360.13113	1.2
370.11618	1.7
376.81757	1.0
388.12796	40.3
389.13107	3.2
392.20041	0.9
401.17484	2.5
404.16077	3.6
416.19720	2.1
423.44931	0.9
431.95773	0.9
443.38986	0.8
445.16147	1.3
460.18887	5.3
477.19028	1.3
492.21548	17.3
493.21838	2.2
504.18222	2.3
524.24017	47.1
525.24408	5.0
536.20477	15.3
537.20996	1.8
568.23022	51.0
569.23712	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	568.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.2
57.33623	1.2
59.01387	20.3
61.98840	9.9
65.27460	1.2
71.01395	9.3
71.55197	1.9
71.55631	1.9
72.99323	2.0
73.02951	1.6
85.02950	3.5
87.00913	2.1
88.98849	1.6
89.02442	3.8
93.03448	3.6
94.06597	1.9
96.96029	9.0
99.00874	2.5
101.02450	5.0
104.05044	1.7
106.06657	1.3
107.03786	4.8
108.08234	1.7
109.02908	1.6
112.98842	3.1
113.02473	4.3
116.92875	1.4
121.05358	25.5
122.06138	45.9
132.04576	50.0
134.06131	5.6
136.07704	7.8
137.02457	9.0
138.05560	2.2
139.02686	2.1
146.06100	1.6
149.04770	4.1
150.05638	4.4
152.07190	100.0
153.07542	1.7
158.02472	4.8
160.03995	3.5
161.04573	1.6
162.05579	1.5
164.03528	4.4
164.07201	2.3
166.05148	2.7
167.05864	3.5
173.00952	2.3
173.29269	1.3
176.03537	16.4
187.17445	1.6
190.03493	1.9
190.05115	22.4
191.05939	7.3
223.08597	1.7
235.08743	2.9
236.07002	1.3
236.09576	4.6
237.10321	4.5
239.08308	10.1
239.12045	1.3
242.16626	1.4
249.06593	1.5
251.08228	3.5
251.11870	5.6
253.09830	2.8
265.06763	2.1
265.09637	1.6
266.10837	1.9
269.13071	1.6
279.07831	7.9
279.10727	1.4
280.08475	5.8
281.09323	2.1
292.08701	1.7
293.09433	4.8
295.10864	9.6
296.11566	3.2
297.12515	4.5
312.11130	4.7
313.11761	1.7
323.10391	3.7
327.13574	5.5
340.10635	2.6
341.11465	40.9
342.12036	3.3
345.11029	1.8
355.13016	40.0
356.13797	23.9
374.15216	1.6
377.17596	1.5
388.12784	23.0
392.19690	4.7
401.17484	6.9
404.16342	8.5
416.19888	11.8
418.17972	1.8
445.16431	4.5
451.20306	2.1
460.18832	21.9
461.19083	2.9
465.91220	1.4
477.19312	6.9
492.21460	63.0
493.21741	6.8
504.17755	1.7
507.34247	3.2
508.34698	2.9
524.24017	30.1
525.24475	3.0
526.36255	1.7
536.20416	17.0
548.50598	2.0
568.22815	27.1
569.23615	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	568.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52454	0.7
55.01887	1.0
57.03471	0.9
59.01385	8.4
61.98839	1.7
68.99831	0.9
69.03501	0.8
69.33463	4.7
69.33878	1.4
71.01392	8.8
72.99313	2.5
73.02953	1.2
75.00885	3.3
76.01585	0.7
81.03468	0.6
83.01409	0.7
85.02968	6.9
87.00867	1.5
89.02448	5.3
90.68597	0.6
92.05080	1.4
94.02997	50.2
95.01419	2.0
95.03371	0.9
96.96033	5.2
99.00895	2.4
101.02468	3.5
108.02184	46.8
109.02988	12.2
112.98829	1.5
113.02454	5.2
117.90310	0.7
119.03516	1.5
121.02994	0.7
123.00877	0.9
123.04599	1.0
125.02614	0.7
126.06759	1.7
129.01894	0.8
134.03751	1.3
137.02440	1.0
138.01985	26.4
143.03554	0.7
143.05164	0.7
145.01440	5.8
148.04085	2.7
149.02492	0.7
149.04436	1.1
151.04131	0.9
152.01170	98.5
153.01820	5.3
163.04048	4.3
165.69656	0.7
170.09488	0.7
175.02443	0.8
176.70612	0.8
179.03419	1.2
195.06647	0.9
207.02998	1.0
245.53830	0.7
249.06236	2.2
275.11533	1.9
276.11935	1.2
297.06122	0.9
315.07309	1.4
349.13046	1.1
360.64545	0.8
369.08499	1.1
390.14557	1.4
429.10413	32.2
430.10620	2.5
447.11194	1.6
490.56949	0.9
525.18298	1.9
526.18689	6.0
536.16583	1.6
537.16125	2.0
567.20703	1.0
568.12976	100.0
568.20044	7.5
569.11792	6.8
569.19897	3.1
572.59241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.22
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11245	0.4
69.22662	1.3
69.23087	2.2
69.68526	0.3
77.43941	0.3
100.50546	0.4
101.13077	0.4
157.06606	13.5
157.07910	0.7
158.06859	0.8
164.64386	0.4
182.81395	0.3
201.03680	0.7
201.05583	13.9
202.05917	1.0
219.06664	1.0
229.03119	0.4
244.06610	0.9
245.06277	11.2
246.06706	0.6
307.07901	0.5
365.15720	8.5
377.04800	0.4
435.12793	0.9
459.16492	0.5
461.14169	2.0
497.14270	3.7
509.14270	7.0
510.14844	0.6
537.17365	1.1
551.18646	0.6
552.19281	0.7
567.22015	100.0
568.22388	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	567.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
58.00581	1.3
59.01385	100.0
71.01391	23.3
71.54724	1.8
72.99295	3.2
73.02929	2.5
74.02492	2.0
75.00881	5.9
85.02966	5.1
87.00856	1.5
89.01956	1.3
89.02462	18.7
95.01406	2.7
99.00848	1.1
99.04541	9.6
99.48814	1.0
101.02454	11.8
108.02207	1.2
112.95509	1.2
113.02453	7.9
117.02013	1.0
119.03517	4.8
135.03008	11.5
139.00371	1.0
149.04533	4.5
150.03159	1.1
165.05608	2.2
165.12874	6.2
167.03493	3.7
179.05511	1.1
188.38051	1.0
189.12831	1.3
195.06584	2.3
203.08229	2.8
207.13916	12.0
208.14096	1.0
209.11830	34.0
210.12300	1.0
225.14957	12.8
245.09338	5.5
251.12955	5.7
269.13950	79.0
270.14352	3.6
287.15015	1.4
287.95630	1.0
374.63159	1.0
387.16592	4.7
424.03607	1.0
435.22586	1.4
449.20303	87.3
450.20560	5.5
466.27158	1.1
523.27332	4.2
567.22931	88.2
568.23370	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	567.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05704	1.2
59.01383	3.0
61.98829	3.3
69.29746	3.0
69.30139	13.0
72.97577	1.3
74.05473	1.4
76.68497	1.5
96.96037	2.6
118.27151	1.5
134.89464	1.8
135.04507	2.7
160.84364	2.2
185.12946	1.8
213.09465	1.5
223.07689	2.0
225.09167	4.4
241.05244	2.5
255.10576	1.9
268.03949	2.2
275.14249	1.4
283.05957	2.3
297.04086	2.8
309.04425	5.7
312.06491	5.1
313.07254	3.5
325.04031	13.4
347.05872	1.9
375.19400	2.1
391.19302	4.0
393.10226	1.7
405.10373	2.8
409.20163	8.0
419.15390	3.9
419.20535	2.0
445.13199	3.2
446.78757	1.8
447.14935	100.0
448.15225	9.6
463.18039	19.3
489.15808	3.5
507.10165	2.1
507.17056	21.1
507.23981	2.8
567.09705	3.7
567.23840	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91357	1.3
57.03462	3.4
58.04100	4.4
58.46815	1.3
59.01387	32.9
61.98830	2.3
68.69938	1.4
69.03462	2.3
69.44126	10.2
71.01392	28.0
72.99316	10.5
73.02966	4.8
74.94118	1.3
75.00877	23.6
81.03471	2.1
81.88026	1.3
83.01388	2.4
83.02533	4.0
84.06782	1.5
85.02955	27.1
87.00883	8.9
89.02456	12.6
92.05065	8.9
93.03477	4.4
94.02964	7.1
95.01402	8.3
96.96018	10.3
97.02953	1.9
98.20625	2.1
99.00895	12.8
101.02464	6.6
103.00397	1.9
108.02221	10.2
109.02946	4.6
109.04106	4.9
109.71412	1.5
111.00884	2.7
111.04563	1.7
111.85393	1.5
113.02463	27.9
115.00392	2.5
117.01992	2.7
119.03516	3.3
120.04588	4.2
123.04603	1.7
124.05129	1.4
125.02436	1.6
126.06721	14.4
129.01967	3.0
135.04565	2.1
136.04059	6.2
137.02434	2.9
138.01979	3.7
148.04057	32.5
149.02522	2.1
149.04561	4.8
150.05632	1.9
152.01157	16.1
153.01981	1.7
161.04550	1.6
163.06255	2.0
165.01865	1.7
165.05582	2.7
175.02519	6.1
179.05663	4.0
193.05081	1.8
221.06810	2.2
231.05159	4.3
231.12521	2.6
249.06169	36.9
250.06642	1.8
251.07988	1.6
258.08951	1.9
271.08365	6.9
275.11530	30.2
429.10410	4.3
508.15759	4.0
525.18396	100.0
526.18951	5.5
550.18066	14.8
567.20660	86.8
568.12592	10.5
568.21149	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	567.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53578	0.7
52.56512	0.6
55.01883	0.8
55.94264	0.5
57.03450	0.8
59.01385	7.5
61.98836	7.5
65.04002	1.1
71.01380	5.2
73.02961	1.7
73.92805	0.7
75.00886	1.3
81.03486	0.8
83.01432	0.9
85.02966	3.1
87.00898	1.2
88.98810	2.1
89.02445	1.9
93.03468	78.3
94.03795	1.7
95.01413	1.1
96.96057	1.0
99.00911	1.4
99.04572	0.7
101.02467	1.8
108.02184	41.9
109.02977	12.8
111.00893	0.7
113.02454	1.8
113.22375	0.6
115.00393	1.3
121.02983	1.1
123.00943	1.7
123.04483	1.1
133.02980	1.2
134.03722	1.0
135.04510	1.7
137.02460	90.6
138.02814	2.2
152.01166	94.0
153.01932	5.1
161.02451	2.1
163.04030	3.7
175.02583	1.2
175.04022	1.3
177.01929	0.9
179.03444	0.7
185.04942	0.7
207.03038	0.9
213.09232	0.9
218.40137	0.7
283.06067	0.8
315.07269	2.1
401.78506	0.8
411.09329	0.8
429.10391	100.0
430.10898	5.4
447.11551	3.5
477.10599	0.9
523.27631	3.1
549.29218	0.9
567.13531	47.4
568.13727	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	567.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01384	3.0
69.03465	0.6
69.14009	0.4
69.40438	3.5
70.89548	0.5
71.01379	3.4
72.99342	0.6
73.02971	1.4
75.00899	0.8
76.47962	0.5
83.01411	0.8
85.02961	2.8
87.00903	0.6
89.02476	1.4
93.03470	15.9
95.01408	1.3
98.19868	0.8
99.00893	1.1
101.02441	1.6
108.02184	57.8
109.02991	9.3
113.02470	2.1
121.02956	1.2
123.04610	0.5
135.04530	1.2
137.02457	24.0
147.54013	0.5
149.02448	0.8
151.04059	0.7
152.01164	100.0
153.01875	4.5
161.04572	1.0
161.93953	0.5
163.04027	4.1
165.01875	0.7
177.01953	1.0
179.03540	0.8
193.05064	0.5
195.06679	0.6
207.03056	0.9
236.88997	0.6
269.06805	0.5
297.06290	1.0
315.07248	1.3
429.10416	20.0
430.10455	0.8
447.11481	18.0
448.11801	0.9
461.44983	0.6
535.94366	0.5
566.28137	0.5
567.13550	84.7
568.13916	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	567.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99022	2.2
57.03451	8.3
59.01386	89.5
61.98832	26.0
65.65140	2.0
69.03484	2.6
70.01495	8.5
71.01392	45.0
72.99315	7.7
73.02617	2.1
73.02953	15.3
75.00891	20.1
83.01408	8.5
85.02954	26.5
87.00887	16.2
87.04494	4.6
89.02451	16.2
91.01935	2.4
95.01415	2.9
96.96033	18.4
99.00881	10.5
100.49709	2.3
101.02453	25.2
101.25687	2.7
103.04010	8.6
108.02174	3.4
109.02956	5.8
113.02462	15.9
114.56986	2.1
116.92802	2.5
118.40078	2.6
119.03468	4.0
121.03008	5.6
125.02438	3.4
129.01956	10.4
131.03561	2.4
132.02133	4.9
132.03024	3.7
133.02960	14.1
134.03740	18.8
135.03036	4.6
137.02454	13.5
139.04077	3.0
139.07677	3.0
139.13268	2.5
143.03464	3.9
145.02913	4.6
147.04654	3.4
149.04523	4.1
150.03218	2.5
152.37335	2.3
159.02968	4.0
159.04445	3.6
160.01675	15.4
161.02113	7.9
161.04536	4.4
162.02263	2.5
173.00842	3.8
174.03224	3.1
175.04036	20.7
176.04382	10.2
177.01918	8.5
177.04012	22.6
178.02690	6.0
179.03506	3.7
179.05650	3.0
179.10878	2.3
185.06137	3.0
186.06911	3.7
187.07632	2.9
193.05078	7.7
194.05400	4.8
195.05127	34.9
201.05576	3.1
202.06314	4.0
203.07179	5.5
204.07942	3.5
205.08678	2.8
211.07614	2.5
211.13399	10.2
214.06424	5.3
215.07137	6.0
229.08791	4.9
232.07405	3.7
233.08195	3.7
240.04137	3.6
247.09801	3.9
254.05920	15.4
255.02986	3.4
255.06720	14.9
268.03714	6.0
283.06137	100.0
284.03278	3.4
284.06543	3.5
309.14978	2.7
323.95483	2.5
327.16064	8.1
345.17075	12.7
356.07358	6.7
371.15128	5.6
389.15823	6.2
423.38538	2.8
427.12250	4.3
461.37558	2.8
506.34149	16.8
507.34836	6.8
524.34766	5.5
531.28174	8.9
549.19702	10.0
566.26660	12.8
567.12537	7.5
567.20911	23.2
567.29053	19.7
593.85797	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	567.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.6
59.01110	3.6
59.01387	51.6
61.98847	13.2
65.43714	2.1
69.35067	11.9
69.35480	4.4
71.01387	12.7
73.02951	4.1
81.09790	2.1
85.02959	3.2
89.02472	5.2
96.96003	5.1
100.86754	2.3
101.02438	9.7
113.02451	5.1
116.80808	2.1
123.04485	2.4
137.02452	5.0
161.04570	6.2
167.09560	2.2
224.04750	2.9
238.64542	2.2
239.03464	3.6
267.02924	6.7
267.06522	2.7
268.03787	48.4
269.04312	2.9
283.06137	100.0
284.06439	6.2
325.07108	8.9
440.75064	2.4
507.35437	3.3
567.09143	3.0
567.26208	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	565.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03455	12.5
58.00587	0.6
59.01386	84.2
60.01733	0.7
61.98871	0.4
63.27065	0.3
68.22549	0.3
69.03461	2.0
70.07887	1.5
71.01388	14.3
72.99326	0.9
73.02955	5.1
75.00880	1.2
81.03487	0.7
83.01397	5.8
84.93965	0.4
85.02956	11.8
85.06590	0.4
87.00890	1.6
87.04520	0.6
88.98851	0.4
89.02454	2.1
93.03545	0.3
95.01387	2.7
96.96053	0.6
97.02970	1.2
99.00887	2.8
101.02454	11.1
108.02190	0.6
109.02945	0.5
111.00879	2.3
112.01695	1.0
113.02464	7.6
116.91108	0.3
125.02456	1.8
125.09725	1.2
129.01953	0.6
137.02499	0.5
137.09776	0.4
141.12871	0.5
143.03531	1.6
152.01151	0.7
153.01927	0.4
155.10779	0.8
159.03036	1.2
161.04588	2.0
171.13933	4.0
173.11827	3.0
175.04099	0.6
185.15503	1.4
221.06352	0.3
300.01727	0.3
315.25528	0.6
343.28467	0.9
361.25143	0.6
361.29623	12.7
362.30020	0.5
431.26770	0.7
449.27588	0.6
457.31696	1.5
475.32867	1.0
477.30307	0.4
487.32904	0.5
504.32892	0.6
505.33850	100.0
506.34195	9.9
523.34882	34.0
524.35327	3.0
565.11163	0.8
565.19037	0.7
565.27765	0.7
565.36200	5.0
566.36206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18370	0.2
55.01879	1.7
57.03451	5.0
58.00606	0.4
59.01385	100.0
60.01728	0.6
67.84097	0.3
69.03477	0.9
70.01924	1.1
70.02257	0.3
71.01391	14.5
72.99344	0.6
73.02954	4.7
75.00886	0.4
77.12105	0.3
83.01399	4.1
85.02958	9.6
85.06599	1.1
86.00096	0.4
87.00896	1.2
89.02454	2.1
93.03473	0.3
94.35699	0.3
95.01401	2.3
97.02959	1.0
97.06615	0.3
99.00902	2.0
99.08191	0.5
100.66377	0.3
101.02455	9.4
111.00858	1.6
112.01695	0.6
113.02464	6.7
113.09724	0.3
115.04012	0.4
119.03510	0.5
124.01636	0.3
125.02470	1.1
125.09739	0.3
129.01933	0.6
140.32651	0.3
143.03546	1.6
143.10780	2.1
153.12877	0.3
155.10808	0.4
159.03038	1.1
161.04573	1.2
165.04100	0.4
171.13904	0.3
191.14410	0.7
205.93724	0.3
209.15469	4.3
226.58829	0.3
229.18083	2.4
253.14471	5.1
253.16870	0.5
315.25467	2.3
325.07095	1.1
343.08182	1.6
343.28690	1.4
361.29608	11.1
362.29706	0.4
403.19669	0.4
403.30566	0.3
433.20697	4.0
434.21536	0.6
457.31772	0.7
475.32806	1.0
487.32529	0.5
500.87848	0.3
505.33865	71.9
506.34241	5.4
523.34894	27.0
524.35028	1.7
565.26263	2.1
565.35999	3.0
566.25555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89543	0.5
53.37450	0.7
55.01863	1.1
57.03440	1.5
59.01385	100.0
60.01723	5.8
61.01802	2.9
61.98829	4.9
65.96523	0.6
66.64920	0.6
69.03508	0.7
71.01396	14.3
71.55304	0.9
72.99328	1.4
73.02954	5.4
75.00879	0.8
80.23737	0.7
81.03465	1.0
82.95452	0.6
83.01411	2.7
83.05037	1.1
85.02956	7.0
87.00905	1.9
88.98825	1.1
89.02457	5.0
93.03471	1.2
95.01425	1.9
96.96003	1.1
99.00901	1.7
101.02457	9.6
105.88419	0.7
109.02957	1.7
111.00906	1.0
113.02454	7.8
116.92911	1.8
119.03555	1.9
119.04975	0.5
124.01712	0.7
125.02501	1.8
137.02473	0.9
143.03531	1.5
146.75929	0.6
149.04626	1.5
152.07245	0.6
153.02007	1.2
159.02969	0.8
160.01717	1.1
161.02415	0.7
161.04590	3.0
167.03555	1.0
175.04083	1.0
175.75237	0.6
179.05745	0.7
213.18616	0.7
269.04721	2.5
270.05075	1.9
271.05118	1.5
284.07043	2.4
285.07397	2.5
286.07639	2.7
299.09378	2.4
300.09753	2.4
301.09991	2.3
315.25473	1.5
317.27130	1.5
343.28375	0.8
359.28604	0.7
361.29456	1.0
417.32599	0.6
433.28754	1.0
461.31232	18.4
461.37411	1.2
462.31848	1.8
479.32239	6.1
505.33847	19.7
506.34503	1.5
523.35010	2.6
529.26563	0.7
565.11627	3.4
565.34698	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	565.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.46435	0.6
57.03452	2.8
58.00601	2.4
59.01385	100.0
59.63931	0.6
60.01721	4.1
61.01809	2.4
61.89600	0.6
61.98838	0.9
69.03466	1.6
70.67445	0.9
70.67779	1.0
71.01387	27.9
72.01756	1.1
72.99314	2.5
73.02936	4.5
75.00890	1.9
77.71043	0.6
81.03482	0.6
83.01393	3.4
85.02966	11.4
85.63309	0.6
86.03299	0.8
87.00896	2.7
88.98828	0.7
89.02449	18.8
93.03453	1.5
93.07093	0.9
93.43053	0.6
94.07465	0.7
94.13700	0.7
95.01405	1.9
96.96003	0.8
97.02950	0.8
97.06609	1.4
99.00906	2.1
101.02447	17.4
102.02824	0.8
108.02168	3.6
109.02986	1.3
113.02466	11.9
114.02779	0.8
119.03516	5.3
123.08196	1.5
125.02454	0.8
129.01938	0.9
135.03065	0.8
135.04517	2.5
137.02441	2.0
141.52692	0.7
143.03497	1.5
147.42007	0.7
149.04558	2.0
152.01160	9.0
153.01926	1.1
155.10791	1.4
160.01709	0.9
161.04567	3.7
165.04050	2.5
173.13350	0.8
175.03973	1.7
179.05641	1.4
190.57201	0.6
191.14442	6.4
209.15482	64.5
210.15790	2.7
211.13353	1.1
214.22612	0.6
217.12338	0.9
229.18094	2.2
235.13434	5.1
237.06241	1.3
237.73494	0.7
253.14467	81.2
254.14804	4.5
271.15573	1.0
347.12964	0.7
361.29694	4.1
373.22269	1.0
374.22559	1.6
375.23172	1.1
385.18622	2.7
391.22723	1.2
392.23541	2.0
393.23962	2.0
413.10791	0.9
429.10297	2.5
433.20779	52.1
434.21039	3.9
475.32028	0.7
503.32013	1.4
504.32736	4.6
505.33444	35.8
506.33768	1.9
521.26215	1.2
522.33447	2.4
523.34552	14.6
565.15710	7.9
565.24896	52.5
565.34131	1.7
566.16760	1.0
566.25183	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	565.252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42896	0.7
51.46830	0.6
55.01878	1.6
57.03451	3.7
58.00599	2.1
59.01386	98.9
59.82396	0.6
60.01717	1.9
60.02467	0.6
61.01814	1.3
61.98832	1.8
71.01388	35.1
71.55520	0.7
72.99311	3.6
73.02945	5.4
75.00872	4.5
83.01389	4.3
84.01743	0.9
85.02962	14.1
87.00886	3.8
88.98804	0.9
89.02451	25.6
93.03462	3.2
93.07102	0.9
94.07512	0.7
95.01399	2.5
96.96040	1.9
97.02969	0.7
97.06602	2.1
97.64771	0.7
99.00912	1.6
101.02457	18.7
102.02811	0.8
105.01897	1.2
107.05038	0.7
108.02179	7.4
109.02968	2.0
111.00886	1.2
111.08205	0.8
113.02461	14.1
114.02788	1.3
119.03511	7.4
119.55104	0.7
120.05745	0.8
121.02974	1.9
123.08181	1.5
125.02431	1.4
129.01917	0.9
135.04515	3.1
137.02469	6.9
143.03488	2.3
149.04547	2.5
152.01184	12.9
155.10780	1.3
159.02953	1.0
160.01633	1.0
161.02426	0.8
161.04578	2.4
165.04068	8.5
173.13376	1.2
175.04144	0.8
179.05594	1.7
191.14410	10.9
192.14838	0.7
194.35121	0.7
209.15477	83.7
210.15781	3.0
211.13432	1.1
217.12354	1.5
229.18076	1.8
235.13425	5.7
237.06122	0.9
253.14468	100.0
254.14836	4.1
271.15414	0.9
361.29568	4.0
374.22501	1.4
385.18658	3.0
386.18274	0.7
392.23666	1.8
393.24045	1.2
429.10510	5.3
433.20764	68.5
434.21185	6.3
503.32239	1.9
504.33044	3.3
505.33511	33.0
506.33917	2.3
522.33490	1.9
523.34436	12.1
565.15613	11.2
565.24835	63.1
566.16779	1.5
566.25226	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	565.2307
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
55.01867	3.3
57.03443	4.0
59.01385	72.8
61.98837	18.7
69.68182	0.9
70.19579	3.5
71.01389	33.3
72.99303	3.7
73.02946	11.5
75.00884	3.2
83.01396	6.4
85.02960	19.4
87.00867	5.9
88.98807	3.5
89.02453	14.0
93.03472	2.4
95.01394	5.1
95.05038	1.0
96.96007	4.2
97.02929	1.4
99.00884	4.5
99.04513	2.6
101.02452	16.5
109.02953	4.6
111.00877	1.8
112.78705	0.9
113.02480	14.8
116.92863	2.9
119.03517	2.5
119.05046	1.2
121.02966	10.8
122.03761	9.8
123.04549	2.3
124.01667	2.3
125.02419	3.6
129.01909	1.7
129.03471	1.1
131.03491	2.7
133.02908	1.3
134.03726	2.1
135.03044	1.1
135.04492	3.5
136.05284	1.7
137.02435	3.6
137.06003	1.0
143.03493	3.1
147.04547	8.2
148.05244	1.6
149.04536	3.1
149.06049	1.6
151.00372	3.0
154.02695	2.1
160.01651	1.4
161.02376	2.9
161.04643	2.0
161.06093	3.7
162.06839	2.1
164.04761	1.3
165.04042	2.7
165.05573	19.3
168.04361	1.0
174.06699	1.4
175.03999	1.6
175.07632	2.3
177.01881	1.0
179.07137	5.3
182.69409	1.0
191.07132	1.8
209.06110	1.0
211.07631	3.2
213.09241	1.2
242.69156	1.0
251.12889	1.3
252.13315	1.4
253.05081	28.4
254.05499	1.3
271.06137	1.2
298.12061	1.9
313.14569	5.5
315.12692	2.3
317.06308	1.1
328.13019	2.9
329.13702	1.7
343.15552	8.9
346.14365	5.4
347.16989	3.2
361.16599	50.9
362.16806	4.1
389.18201	14.1
431.18896	1.2
433.19971	4.1
505.20828	100.0
505.32471	13.8
506.21246	9.1
521.26923	4.7
523.21899	43.3
523.33826	5.1
524.22235	3.4
565.15350	9.3
565.24042	9.8
566.15442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
57.03460	4.1
58.00598	0.8
59.01386	100.0
60.01711	4.3
61.01810	1.8
61.98837	2.3
69.03490	0.9
71.01392	16.3
71.54352	0.5
71.54732	0.8
72.01740	1.5
72.99330	1.8
73.02959	6.9
74.03256	0.6
75.00892	0.6
83.01399	5.1
85.02959	11.2
86.03308	1.0
87.00906	1.8
88.98846	0.7
89.02451	4.3
93.07122	2.0
95.01391	2.9
96.96021	2.1
97.02949	1.2
97.06626	0.5
97.21569	0.4
99.00906	2.2
101.02454	14.2
102.02794	1.9
105.67090	0.4
109.02970	2.3
111.00899	1.4
112.01728	0.7
113.02472	9.7
114.02795	1.1
115.04008	0.5
116.92878	0.5
119.03510	1.2
123.00916	0.8
124.01682	1.4
125.02462	1.8
129.02026	0.4
131.03444	0.8
133.87585	0.5
134.03716	1.2
136.01689	7.7
137.02448	4.3
138.03299	0.8
141.01942	0.6
141.12907	0.6
143.03511	1.8
149.02441	1.2
149.04533	0.7
149.06096	3.6
150.03236	6.8
151.04021	1.6
159.02969	1.6
161.02415	0.7
161.04562	4.3
162.04909	1.2
165.05602	5.1
171.13937	2.8
172.14307	1.2
174.37494	0.4
175.04073	1.2
193.05042	0.6
253.05011	0.6
256.03827	0.5
268.07703	0.5
271.06128	5.4
285.07718	1.2
286.08493	24.3
287.09073	1.1
301.03839	3.3
301.10834	65.5
302.11157	3.1
315.18192	3.0
316.05933	1.8
316.18466	4.1
317.18683	1.9
331.08340	3.8
333.19327	2.0
334.19531	2.9
335.19794	1.7
343.28021	0.7
346.10669	5.2
355.21469	0.7
356.21561	1.2
357.21814	0.6
359.28171	1.0
360.28479	1.1
361.12988	4.1
361.16794	0.9
361.29510	2.4
373.22318	0.9
374.22757	1.4
375.23062	0.7
431.26337	0.7
433.23877	0.8
447.26251	0.5
461.31009	1.0
474.31650	0.6
487.32101	0.9
491.28775	0.5
503.32489	3.2
504.32645	21.1
505.33298	40.7
506.33725	1.6
521.33069	0.9
522.33691	8.6
523.34210	10.9
564.34723	1.0
565.25671	0.9
565.34912	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54163	0.9
59.01384	8.5
61.98823	3.2
65.03974	9.2
67.01894	4.0
75.00933	1.2
91.01904	13.1
96.96019	1.7
100.70006	0.8
109.02968	100.0
110.03284	1.5
115.26256	0.7
116.92870	1.0
117.03510	1.0
119.17710	0.7
126.38881	0.7
132.02202	1.3
133.02965	3.3
135.00906	20.8
153.01961	13.2
170.58151	0.8
182.03752	1.5
183.04465	1.8
185.02434	1.1
195.04530	1.1
198.03210	1.3
210.03221	3.5
211.04071	4.3
212.04771	1.1
223.04044	1.8
224.04854	5.4
226.02798	1.0
227.03618	1.3
238.02606	5.0
239.03514	9.9
240.04086	1.7
251.03497	1.5
252.04240	4.4
254.18437	0.8
255.03006	7.8
256.03424	1.1
266.02203	1.3
267.03030	7.8
267.06235	3.7
268.03793	10.9
269.04568	16.2
282.05307	2.4
283.02502	11.2
283.06119	10.2
297.04010	13.1
298.04761	2.5
327.06720	2.1
343.06192	1.6
347.62357	0.8
369.03876	1.9
370.04742	1.2
371.05652	3.2
384.06512	2.3
386.07693	0.9
398.04300	1.8
399.05069	4.0
404.32251	0.8
412.05832	2.6
414.07449	17.3
415.07928	1.5
426.03696	4.3
429.09921	8.3
440.05518	17.5
441.06155	13.1
455.07785	18.5
456.07932	1.9
464.96701	1.0
503.30746	0.9
550.08936	1.1
565.11444	71.6
565.25677	2.8
566.11755	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	565.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96873	0.5
56.19143	0.5
59.01385	6.7
61.20689	0.6
61.98827	1.6
62.27858	0.6
69.40173	3.6
75.00893	0.5
83.01392	0.7
96.96004	0.9
98.19970	1.3
107.05007	0.7
109.02993	0.8
116.92889	1.1
119.04977	0.8
121.02993	0.8
132.02180	2.0
134.03775	2.8
135.04533	1.0
139.00281	0.8
158.03716	0.7
175.07637	2.1
186.03175	1.4
201.05545	0.8
213.01917	0.7
213.09248	0.7
223.03978	0.7
245.06068	1.1
250.58693	0.6
257.06140	0.7
261.05621	0.9
262.06134	0.6
267.02994	0.7
268.03827	0.8
273.05588	2.2
274.06332	2.3
276.04428	0.6
276.07864	0.8
281.00754	0.9
283.05991	1.6
285.07739	1.7
287.09369	1.3
288.04520	0.8
289.05133	1.8
290.05795	1.9
294.05417	0.9
300.04306	1.2
301.05020	2.4
302.05768	2.2
304.03647	0.6
305.04611	0.9
306.05249	1.0
309.08078	0.8
315.16107	1.2
316.03705	1.3
317.04575	4.3
317.07977	1.0
318.05383	3.7
319.05939	0.7
320.06876	2.3
329.04568	2.7
330.05096	4.0
331.06052	1.6
332.06900	1.6
333.07758	1.5
334.04709	0.9
338.04681	0.6
344.03317	1.4
345.03973	4.4
345.07819	1.4
346.04861	8.7
347.05362	0.8
348.05777	0.7
356.03281	0.6
357.04016	1.2
359.05646	1.5
360.06281	0.9
361.07199	5.9
372.02457	1.2
373.03574	3.6
374.04321	12.7
375.04645	0.9
378.07788	0.7
379.11777	1.0
387.05109	2.3
388.05756	3.9
389.06677	36.8
390.06842	2.6
396.11884	0.7
400.02206	1.3
401.02927	1.2
415.04672	3.4
416.05396	1.1
417.06631	0.7
494.10828	0.8
504.09006	0.7
505.08661	1.1
521.08765	0.7
522.09485	0.9
537.11835	9.2
538.12152	0.9
547.10016	0.7
547.23077	0.8
550.09210	2.0
565.11401	100.0
565.23627	3.8
566.11835	11.9
590.36737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
58.64333	0.5
59.01393	2.5
61.98835	100.0
70.95325	0.9
71.01404	2.0
72.99313	0.7
83.01409	1.0
86.77728	0.5
87.00906	0.6
89.02446	0.7
96.96027	7.0
97.02947	0.6
99.00912	1.8
101.02473	1.6
109.02972	2.4
113.02414	0.6
116.08612	0.5
123.04568	0.8
125.02491	2.5
133.02928	0.6
135.04558	2.6
145.03041	0.6
147.04564	2.7
148.05338	1.9
149.06085	6.6
153.05548	0.7
159.04517	0.7
161.02542	1.5
161.06075	2.9
163.04092	0.7
173.06094	1.8
174.03297	1.0
175.04028	3.8
176.04776	0.9
177.01996	0.8
189.05606	6.5
191.03543	1.0
191.07179	3.5
193.05130	0.8
203.07176	1.3
205.05107	1.6
217.05063	7.9
219.03032	1.8
221.04625	1.4
223.06281	1.0
235.06140	4.9
237.04179	3.1
246.55406	0.6
260.69019	0.6
277.07306	1.2
279.05008	2.8
295.08160	3.1
339.07205	48.8
340.07654	2.3
402.05875	0.6
420.12384	1.0
501.12531	17.9
502.13034	1.5
537.85211	0.5
564.17078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03453	3.8
58.00603	0.7
59.01385	100.0
60.01717	0.8
61.98830	1.1
65.47430	0.4
68.99841	0.4
69.03458	1.0
69.51496	1.9
69.51894	0.4
71.01389	21.0
71.05030	0.6
72.99320	1.4
73.02953	7.1
75.00890	0.5
80.03217	0.3
83.01397	5.6
85.02961	13.1
85.06601	1.0
87.00903	1.9
87.04507	0.6
88.98819	0.4
89.02450	6.2
93.07111	2.3
95.01388	2.6
96.96025	0.9
97.02951	1.3
97.06592	1.7
99.00887	3.1
101.02452	16.5
111.00910	1.7
112.01675	0.4
113.02460	13.5
115.04008	0.4
115.07575	0.4
117.03455	0.3
119.03540	1.2
122.10390	0.3
123.08160	0.3
124.01708	0.5
125.02483	2.1
129.01967	0.7
131.07179	0.3
133.02986	0.3
134.03752	0.8
143.03539	2.0
143.10806	1.1
159.02966	1.6
160.01680	1.3
161.02484	0.5
161.04561	6.6
163.11293	1.7
165.05557	0.5
175.03955	2.0
179.05589	0.9
181.16054	0.6
183.50943	0.3
191.07091	0.4
193.05060	0.5
209.15427	1.0
229.18076	8.3
235.06113	0.6
243.19704	0.7
268.44138	0.3
341.26971	2.2
345.19135	0.4
353.06631	0.6
359.28058	5.4
360.28140	0.5
369.00681	0.4
373.22217	5.3
383.28094	0.5
387.16641	3.5
387.23828	0.7
391.23358	6.5
392.23611	0.4
405.25024	0.6
431.22992	0.5
443.30164	0.5
448.88211	0.3
455.30115	0.6
467.30377	0.5
473.30963	0.6
485.31198	1.7
503.32306	57.2
504.32687	5.2
521.26465	1.1
521.33313	22.7
522.34100	1.9
563.13989	1.0
563.21783	1.3
563.34039	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	563.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13009	0.4
55.01883	1.6
57.03449	4.9
58.00599	0.4
59.01385	100.0
60.01733	0.7
65.61754	0.4
67.01894	0.5
69.03463	1.2
69.37083	3.7
71.01389	17.2
72.99308	1.3
73.02952	6.7
75.00891	0.7
83.01398	5.6
85.02965	13.0
87.00911	1.8
88.98794	0.6
89.02451	2.8
93.07088	3.0
95.01398	2.3
96.96013	0.8
97.02979	1.2
98.19893	0.6
98.31207	0.4
99.00885	3.0
101.02448	15.8
104.67037	0.5
111.00893	1.7
111.08146	0.5
112.01622	0.6
113.02464	11.0
115.04040	0.5
119.03531	0.7
124.01653	0.5
125.02454	1.4
128.49400	0.4
129.01962	1.0
137.02516	0.4
141.65385	0.4
143.03551	2.2
143.10834	2.0
159.03001	2.0
161.04570	7.3
161.13475	0.5
175.04094	0.7
204.82994	0.4
229.18102	8.7
276.86389	0.4
305.16016	0.7
341.26880	0.8
359.28015	3.1
373.22333	9.6
391.18488	0.9
391.23410	14.3
392.23755	1.1
443.29947	0.6
455.30515	0.7
467.29745	0.5
473.31641	0.5
485.30997	1.3
503.32288	63.9
504.32681	6.9
521.33295	22.6
522.33765	2.7
563.14160	0.7
563.34320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33966	1.5
53.51338	1.6
57.03433	2.8
58.00604	2.3
59.01383	73.0
60.84349	1.5
69.28928	6.7
69.29356	7.1
71.01389	53.0
72.01730	1.9
72.99324	3.0
73.02965	16.4
73.42193	1.6
75.00903	2.2
83.01384	2.7
85.02948	10.9
87.00881	3.2
88.98773	2.9
89.02451	100.0
90.65655	1.6
95.01426	2.5
96.96032	2.3
99.00896	24.1
101.02452	39.3
113.02472	15.6
114.93445	6.6
119.03503	4.2
121.03015	1.9
123.01040	1.6
123.04488	1.9
125.02443	5.9
131.03482	15.9
143.03531	2.0
149.02576	3.7
149.04562	87.0
150.03212	3.3
159.04533	6.9
160.05338	16.3
161.04544	5.7
161.05913	3.9
163.04056	2.4
164.04871	2.1
173.06062	3.9
175.07645	17.3
177.05598	3.9
178.06377	4.0
191.05626	13.1
201.39040	1.5
221.06540	7.7
249.05971	1.7
251.07739	10.3
252.20103	1.7
267.07175	3.4
293.08691	3.3
295.06198	5.3
299.12292	1.9
311.09891	6.9
329.03549	1.5
329.13947	49.1
330.14325	4.0
344.12717	1.8
353.07001	2.2
359.14688	2.5
466.15921	1.6
466.74051	1.7
503.18854	2.5
503.25113	10.5
563.14172	8.7
563.22412	2.2
564.15381	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	563.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63337	2.0
51.86985	2.4
52.77472	2.8
57.03448	6.7
57.83224	2.7
58.00595	3.9
59.01385	95.4
60.99303	3.2
61.80242	2.4
61.98829	4.4
71.01389	50.0
71.55423	4.4
72.99305	6.0
73.02962	17.5
75.00879	3.3
83.01391	6.6
85.02952	14.8
87.00886	4.2
88.98795	9.4
89.02454	93.2
93.03460	3.7
96.96010	10.6
99.00891	17.1
99.04519	4.2
101.02450	42.7
113.02479	15.2
119.03487	7.2
121.02911	3.3
123.04547	4.0
125.02422	5.3
131.03522	16.5
135.04443	3.3
137.02382	3.8
149.04573	72.9
150.03265	6.7
151.00385	3.5
151.04024	3.6
159.04509	12.5
160.05304	30.6
161.04590	4.5
161.06047	7.1
161.13362	10.4
163.03999	4.9
164.04784	7.2
175.07649	27.8
177.05559	5.1
178.06358	11.2
179.05612	3.1
183.10193	2.6
187.11354	3.5
191.05661	13.6
192.07877	3.5
193.08719	4.0
205.12340	19.8
207.13892	5.3
219.92680	2.5
221.06662	4.1
227.03586	14.9
249.11285	8.2
251.07755	6.8
251.12883	13.6
255.03049	27.5
256.03522	3.0
268.03781	3.9
269.04520	17.3
284.03256	39.7
285.03885	7.0
311.09839	7.3
329.13968	100.0
330.14377	6.7
353.06708	4.6
359.14755	4.3
383.17184	12.1
431.19107	10.7
503.25085	9.7
563.14050	39.2
563.23602	21.8
564.14478	5.1
564.23627	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	563.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00007	1.6
57.03448	2.3
58.00586	2.5
59.01385	61.1
61.98828	3.1
71.01386	36.9
71.55439	2.5
72.99339	2.1
73.02951	10.1
75.00865	3.1
83.01400	3.3
85.02950	5.9
87.00878	3.8
88.98786	2.9
89.02448	55.8
90.02767	2.2
93.03455	3.2
95.01359	1.7
96.96006	7.2
99.00883	14.8
99.04550	3.0
101.02451	28.3
101.04735	2.0
109.02968	2.7
113.02454	8.6
117.03481	1.8
119.03492	4.5
120.93930	1.9
121.02899	2.6
122.03727	1.9
123.04547	2.8
125.02477	2.3
131.03497	10.8
137.02373	3.2
143.03548	1.6
147.04530	1.6
149.02539	2.7
149.04570	43.4
150.03215	5.8
151.04060	2.0
158.03738	2.4
159.04546	8.9
160.05307	29.6
161.04646	2.5
161.06087	7.3
161.13379	7.9
163.03966	4.7
164.04791	5.7
173.06065	4.6
175.04112	1.7
175.07661	25.1
177.05608	7.9
178.06317	7.3
179.05458	1.6
187.11349	2.3
191.05597	6.7
192.08107	2.3
193.08687	3.4
205.12257	9.8
207.13959	3.5
221.06726	2.6
227.03516	4.5
249.11288	5.9
251.07687	4.6
251.12987	10.9
255.02876	5.7
269.04611	12.1
284.03290	13.3
285.03860	2.2
295.05759	1.8
311.09827	2.1
312.16794	1.7
329.13962	100.0
330.14172	7.1
359.14795	2.2
383.07083	1.7
383.17090	9.3
431.19183	7.5
443.63245	1.8
476.61868	1.6
503.24960	7.5
563.14105	16.7
563.23535	16.5
573.28009	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	563.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09438	1.2
58.00597	2.4
59.01385	74.7
67.38176	1.1
71.01389	36.6
72.99314	3.4
73.02952	3.9
83.01419	2.2
85.02954	10.1
87.00905	2.2
88.98817	5.3
89.02451	41.8
95.01403	3.5
96.96014	2.0
99.00896	1.9
99.04528	19.1
101.02448	21.3
111.04530	1.4
113.02473	12.4
119.03505	11.9
121.95915	1.1
127.94359	1.2
131.03505	6.1
140.93051	1.4
149.04549	12.0
157.53270	1.1
160.01605	1.7
161.04579	2.4
163.14957	3.0
174.14418	1.3
175.39896	1.1
179.05618	4.2
181.07651	1.2
189.12842	6.7
207.13940	26.0
225.26868	1.2
227.03517	4.6
251.12891	100.0
252.13210	4.3
255.02974	10.1
269.14087	1.7
284.03284	12.8
285.03906	1.7
329.14096	2.1
371.20483	1.3
383.17249	1.7
431.19095	71.7
432.19733	4.9
503.25018	8.0
563.14203	12.5
563.23505	58.1
564.15839	1.7
564.23389	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	563.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.20913	0.7
55.65623	0.7
57.03458	2.3
58.00607	2.7
59.01385	91.9
59.79853	0.7
69.03470	1.6
71.01386	43.7
72.01725	0.8
72.99321	3.0
73.02951	14.3
82.96051	0.8
83.01392	5.2
85.02954	12.0
87.00870	3.8
88.98802	0.8
89.02453	41.2
95.01423	3.5
96.96009	1.3
98.03774	0.9
99.04525	38.0
101.02447	28.5
109.02978	0.7
111.04546	1.2
113.02463	18.0
119.03506	9.1
125.02375	1.4
131.03510	4.5
134.03773	0.8
143.03551	1.4
149.04559	32.7
160.05341	1.2
161.04572	4.7
175.03975	1.0
175.07666	0.9
179.05696	2.6
189.05606	1.2
189.12863	9.2
190.06367	1.9
203.05693	0.9
205.08804	1.3
207.13908	43.2
208.14307	2.5
233.11829	1.3
251.12895	100.0
252.13268	3.1
269.13861	2.6
284.03317	0.8
285.04007	1.6
299.02078	1.3
311.12857	1.0
315.05173	1.4
341.14047	8.5
383.16791	1.5
431.19199	97.7
432.19373	6.7
503.19073	1.6
503.32376	9.4
521.33405	4.0
563.14563	2.6
563.23395	54.9
564.23816	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	563.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.9
59.01386	10.5
71.01392	5.4
73.02960	0.9
75.00915	0.6
76.52435	0.5
85.02964	1.5
87.77115	0.5
88.98805	1.6
89.02452	5.4
93.03440	0.5
96.96008	1.4
98.20663	1.5
99.04525	1.7
101.02457	3.2
105.24426	0.6
108.02162	0.9
113.02467	1.9
118.72673	0.5
119.03517	1.6
121.02955	4.7
122.03754	1.7
123.00910	0.9
123.04559	0.7
130.43146	0.5
131.03493	1.1
136.05281	0.9
137.02408	0.6
143.05009	1.0
147.04521	2.7
149.02458	1.6
149.04570	3.4
150.03246	5.1
158.03752	3.4
159.04524	9.4
160.05312	28.1
161.06082	7.5
161.13376	1.0
163.04030	3.9
164.04791	5.9
173.06073	4.0
174.06682	0.6
175.07655	26.4
176.08047	1.1
177.05591	7.0
178.06358	8.5
178.29582	0.5
179.05615	0.8
189.12831	0.8
191.05447	0.7
192.07951	2.1
193.08664	2.8
205.12379	1.4
207.13918	2.1
249.11259	1.1
251.12901	6.9
268.03833	1.1
268.45068	0.5
269.04535	7.6
314.11383	0.8
323.92706	0.6
329.13959	100.0
330.14252	7.8
359.14929	1.8
371.15735	0.5
371.20367	0.5
383.07623	0.6
383.17322	0.7
401.16092	1.0
419.26450	0.5
431.19046	5.2
460.74936	0.6
508.07556	0.5
521.25977	0.7
523.49438	0.6
563.14075	4.1
563.23425	5.3
564.24060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24717	1.6
57.03445	3.1
59.01385	100.0
60.99299	3.5
61.98829	4.7
69.31728	8.3
69.32142	4.7
71.01012	2.6
71.01393	41.8
71.67291	1.5
71.72811	1.5
72.01727	2.0
72.99322	3.4
73.02951	27.3
75.00890	3.5
83.01392	6.7
85.02959	15.7
87.00869	4.1
88.98814	23.0
89.02453	36.4
95.01393	4.5
96.96017	46.7
98.95599	41.5
98.96453	8.2
99.00903	2.6
99.04521	2.3
101.02450	33.6
111.00908	1.8
113.02468	15.3
115.98547	1.6
116.82158	1.7
119.03516	6.5
121.10257	8.2
125.02450	2.1
130.50067	1.5
131.03503	11.7
133.64369	1.6
143.03523	2.1
149.04562	31.4
150.03239	2.3
159.04552	5.9
160.05305	15.4
161.04558	9.2
161.06013	3.8
161.13350	1.7
163.04001	4.1
164.04794	2.2
165.04082	2.0
175.03879	3.6
175.07628	12.5
177.05589	5.0
178.06367	3.8
191.05678	3.9
205.12350	2.8
211.07619	2.5
249.11256	2.7
269.04532	3.0
297.07715	2.1
301.16367	4.4
327.14444	3.5
329.13974	45.7
330.14523	2.4
345.15512	4.0
353.06900	1.9
359.15292	3.3
383.07895	3.6
383.16882	3.0
387.16638	53.8
388.16785	3.8
413.30615	1.8
431.18970	3.3
473.18170	6.1
503.19064	5.7
503.25751	2.2
519.20679	17.0
563.01001	2.9
563.14111	12.4
563.24188	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	563.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24561	0.5
52.51595	0.5
59.01386	100.0
61.98874	0.5
69.20995	0.4
70.71573	1.2
71.01398	1.7
85.02956	1.3
87.69225	0.6
89.02483	0.8
101.02437	0.9
113.02489	1.2
160.01601	0.5
191.96997	0.5
213.05550	1.3
248.44305	0.5
269.04538	6.0
284.06940	8.7
299.09229	9.4
299.12195	0.8
372.93008	0.5
414.03256	0.5
434.12668	0.6
503.32217	2.4
507.89044	0.5
509.44370	0.5
521.33417	1.0
533.11670	0.5
562.33832	0.5
563.14691	0.9
563.34607	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	563.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.2
57.03455	52.2
59.01121	1.9
59.01385	31.9
61.47170	1.4
69.03435	4.5
69.58324	2.7
69.58730	7.2
69.67802	1.4
71.01019	1.8
71.01384	29.7
72.99282	3.9
73.02956	16.0
75.00873	3.1
79.75096	1.5
81.03443	2.1
83.01377	5.7
85.02961	14.0
85.86556	1.3
87.00856	6.5
89.02441	9.1
91.02271	1.2
95.01340	3.7
96.37804	1.6
96.96028	10.5
97.02469	1.4
97.02961	16.9
98.20636	2.7
99.00293	1.9
99.00892	31.6
99.04529	8.7
101.01823	2.0
101.02449	35.2
109.02962	2.2
111.00895	2.1
113.02461	20.3
115.00381	3.6
117.05577	2.5
119.03477	1.6
123.00836	5.0
123.04474	2.2
124.01659	20.5
124.15812	1.4
125.02457	80.7
131.03448	4.5
135.04510	2.1
143.03471	4.1
149.98390	1.7
149.99593	23.8
153.05534	4.1
159.03020	2.2
159.06595	2.7
161.04582	12.9
167.03427	1.9
168.00656	53.0
169.01318	3.4
175.02396	5.2
179.03410	1.8
191.05592	3.7
203.05563	4.8
267.06982	2.0
275.07642	1.8
293.08713	2.0
297.07672	7.3
325.06964	1.9
328.05902	1.6
337.06750	2.3
342.08405	1.6
353.06787	12.2
355.18661	1.5
359.14719	5.1
383.07700	9.5
419.11972	100.0
420.12137	6.9
461.07004	3.0
461.13086	45.7
473.10605	3.1
489.11655	1.6
501.16327	8.3
563.15369	79.6
564.15674	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.1
59.01385	8.6
61.98835	1.4
62.28048	1.6
69.59192	7.4
69.59597	2.6
71.01395	13.0
72.99310	1.6
73.02951	5.2
75.09042	1.3
78.22998	1.2
83.01373	1.9
85.02981	8.0
87.00887	28.6
89.02470	7.0
89.13490	1.3
95.01376	3.9
97.02962	1.6
98.12915	1.8
98.19814	2.3
99.00885	7.6
101.02444	7.0
105.13029	1.3
111.00885	5.8
112.98792	5.9
113.02451	2.7
123.00874	9.8
125.02486	1.8
129.01944	3.7
131.03546	2.2
137.02509	1.3
138.03255	7.1
142.99846	5.1
145.01436	2.4
149.02435	1.8
149.04558	9.3
153.05588	6.9
161.02437	9.7
161.04597	2.4
163.04037	7.5
164.04773	4.0
166.02850	2.9
173.00934	34.3
174.01733	8.4
174.02986	1.5
175.04025	2.3
176.04797	5.3
178.06400	10.0
179.03477	10.0
179.07158	10.0
181.05093	7.8
188.09229	1.4
189.05595	1.7
190.02785	1.9
191.03572	8.7
191.07191	3.2
193.08722	11.1
194.05835	12.9
203.03531	4.1
205.05042	6.3
206.05856	8.4
208.03885	1.4
209.08237	16.5
217.05270	1.7
218.05800	1.8
218.14003	1.8
219.02974	7.3
221.08156	8.1
229.01538	1.6
231.02933	1.6
234.05309	3.8
235.06148	1.9
237.07733	1.9
247.02481	6.8
247.06090	1.8
249.07680	9.3
261.04089	1.8
261.07761	1.5
262.04871	12.5
265.07156	11.1
265.09540	1.5
276.06525	4.5
277.07224	28.4
278.07523	2.4
281.12430	7.3
291.08801	3.0
337.09317	39.8
338.09586	2.3
353.57443	1.5
354.13568	1.4
383.09909	3.6
400.61478	1.3
419.11990	3.2
427.12592	3.6
439.12451	2.6
457.13525	2.1
563.16199	100.0
564.16827	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	563.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48784	0.8
55.01876	2.4
57.03455	47.3
59.01386	15.4
68.99802	1.2
69.03466	4.0
69.20253	6.6
69.20654	1.6
70.50554	0.8
71.01391	21.7
73.02954	13.5
75.00890	1.0
81.03477	1.5
83.01403	5.6
85.02954	7.8
87.00891	1.1
87.93563	0.7
89.02467	5.1
95.01382	2.5
96.96026	1.2
97.02960	14.0
98.20680	1.7
98.98579	0.7
99.00893	27.4
99.04539	5.3
101.02452	33.1
102.02781	0.9
111.00932	0.9
113.02451	12.9
120.76553	0.7
124.01649	1.5
125.02460	67.4
125.26624	0.7
126.02782	1.7
131.03520	2.3
135.04555	1.0
143.03511	2.8
153.05528	1.0
159.02977	1.3
161.04579	14.9
171.76974	0.9
171.80110	0.8
175.87169	0.8
191.05624	2.9
203.05638	3.0
226.62050	0.9
287.07700	1.6
293.08749	2.4
301.18689	0.9
312.61206	0.9
329.08777	1.1
359.14752	1.1
376.94516	0.9
401.10901	2.9
419.11987	100.0
420.12415	6.5
461.13022	37.9
461.19534	1.5
462.13406	2.8
501.16345	6.3
563.16071	15.1
564.16553	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	563.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.0
59.01383	15.2
61.67233	1.2
69.32857	8.0
71.01387	20.3
72.99319	4.9
73.02934	2.5
75.00882	29.3
83.01414	2.1
84.02166	1.6
85.02959	19.2
85.85725	1.0
87.00883	12.6
89.02449	7.4
90.31603	1.2
96.96031	6.3
97.02958	3.2
98.36877	1.1
99.00891	12.1
101.02448	6.8
108.02123	1.7
109.02940	1.3
111.00903	1.7
112.82810	1.2
113.02467	2.7
121.03000	2.5
125.02486	7.3
129.01961	13.7
133.05049	1.8
135.04489	2.4
149.02455	22.0
150.03192	1.9
151.03949	1.3
152.01141	7.5
159.03004	2.5
161.04625	1.7
163.03978	2.4
164.03491	2.4
164.04813	29.8
169.04921	1.2
177.04060	92.1
178.04382	2.0
179.07149	8.7
186.23468	1.0
190.02722	2.9
191.03421	1.7
193.01418	2.7
195.05087	4.4
198.85609	1.1
205.05016	3.8
208.03778	13.3
209.04482	2.2
221.08191	1.5
223.06125	66.9
224.06415	2.2
265.07388	1.4
280.11240	1.3
369.08322	1.4
383.09940	8.6
385.11465	7.3
401.10916	14.9
419.12057	13.1
429.10410	2.4
461.13095	4.5
563.16138	100.0
564.16504	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	563.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	25.3
59.01379	40.3
66.63526	2.0
67.28727	2.2
69.03426	3.7
70.92002	4.9
71.01015	2.7
71.01383	42.8
72.99304	6.9
73.02956	13.6
74.70863	2.0
75.00880	33.5
82.03087	1.9
83.01370	5.7
85.02950	29.2
87.00883	42.0
88.98788	3.7
89.02448	17.4
93.03493	2.3
95.01369	2.3
96.96022	63.1
97.02929	9.8
99.00884	23.0
99.04497	6.9
101.02455	27.8
101.57981	2.1
103.00429	2.2
104.26788	2.6
108.02154	7.4
108.66022	2.0
109.02937	5.8
111.00876	3.1
112.61716	1.9
113.01736	2.1
113.02460	16.6
114.05600	4.4
115.03951	3.4
119.03510	2.4
121.02938	5.9
123.04525	4.8
125.02448	27.0
129.01958	22.4
130.99818	10.0
131.03513	3.6
133.05061	3.9
135.04474	4.4
137.02414	5.0
146.08217	6.5
149.02440	30.2
149.04501	2.6
149.05980	2.9
150.03195	2.3
150.84894	1.9
151.04074	2.5
152.01106	20.0
153.05536	2.2
156.06676	3.9
157.75458	2.2
159.02966	4.1
161.04520	9.8
163.03960	5.2
164.03535	3.1
164.04807	34.0
164.87804	2.1
165.05455	3.5
169.05020	3.2
175.02370	3.1
177.04057	99.5
178.04396	2.6
179.05586	3.4
179.07077	11.0
190.02702	14.5
191.03455	6.3
191.05475	2.3
193.01353	15.1
195.05110	15.2
205.05125	19.6
208.03809	32.6
209.04431	4.4
223.06119	78.7
265.07236	3.3
326.98004	2.3
369.08188	2.8
383.09879	43.1
385.11200	5.2
401.10907	41.0
402.10776	3.0
419.11978	47.2
429.10172	8.8
436.94913	2.2
447.11108	4.2
461.12991	11.3
499.19037	9.3
501.16040	2.6
563.15833	100.0
564.16620	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	563.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03450	1.9
58.00592	0.7
59.01385	24.4
60.01719	0.4
61.98840	0.6
65.03979	0.5
68.99817	0.6
69.03465	0.6
69.38674	0.3
69.39001	2.5
71.01009	0.6
71.01390	10.1
72.01690	0.3
72.99314	2.4
73.02962	3.4
73.92011	0.3
75.00872	4.7
75.19551	0.3
83.01393	2.0
83.05009	0.3
85.02956	10.2
87.00872	2.3
87.04489	0.4
89.02444	3.4
93.03466	51.3
94.03787	0.9
95.01390	1.9
96.96026	0.4
97.02960	0.6
97.06609	0.8
98.95611	0.4
99.00890	3.9
99.04462	0.4
101.02451	4.3
103.00378	0.8
111.00864	0.7
113.02465	10.6
115.00394	0.7
116.92865	0.8
117.01933	0.7
117.03484	1.1
117.92787	0.4
118.92659	0.5
119.03513	0.9
119.56635	0.3
121.02977	0.4
125.02473	0.5
129.01952	0.6
132.02170	0.8
133.02959	1.8
134.03751	14.3
135.04485	1.1
137.02457	100.0
138.02800	1.9
141.05569	0.5
143.03503	0.5
149.04492	0.4
149.06094	1.4
157.01518	0.5
159.02943	0.4
160.01663	4.5
161.02477	0.7
161.04539	1.7
175.02493	1.4
175.04012	5.1
177.01974	0.7
178.02725	0.4
190.97478	0.3
193.03500	2.7
193.05084	8.6
208.60570	0.3
213.09195	1.0
229.17885	0.4
231.05110	0.7
247.39795	0.3
249.06148	15.0
267.07202	1.2
276.06458	0.5
277.07196	0.4
291.08707	0.7
341.27017	1.0
353.06732	0.4
358.26993	0.5
359.28012	2.2
363.10873	0.4
366.09476	0.7
369.08295	1.2
375.24222	0.4
381.11877	1.4
387.09357	20.8
388.09662	1.3
407.10068	0.4
425.10928	9.2
443.12000	3.2
502.31107	1.1
503.32211	9.7
504.32452	0.6
519.21411	0.5
521.20538	0.3
521.33197	4.2
562.33490	1.3
563.14130	17.0
563.25507	1.0
563.34351	6.0
564.14423	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	563.141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21773	0.9
62.66288	1.1
67.50736	0.7
69.45483	3.5
69.45898	1.7
71.01390	1.5
79.01916	1.1
93.03447	1.4
117.03455	6.6
119.05027	1.1
133.06621	1.3
135.04553	4.1
147.04573	1.1
149.02515	1.5
159.04500	0.8
161.02452	2.6
163.04034	2.2
175.04041	1.7
177.01888	1.0
177.05569	2.2
185.02454	1.0
189.01987	0.9
191.03508	1.9
203.03482	1.7
205.05183	0.9
209.09335	0.8
238.06252	0.9
267.06488	1.1
268.07373	1.2
281.04431	1.3
282.05396	1.8
283.06091	4.6
295.06143	7.3
296.06915	3.9
297.07684	23.8
298.08008	1.2
307.06204	2.8
309.07709	3.6
311.05695	4.8
323.05661	4.3
324.06323	1.3
325.07227	8.4
328.05902	3.7
335.05493	1.7
337.07211	3.7
353.06686	38.1
354.06952	2.1
355.08359	1.6
356.05136	1.3
365.06573	6.3
383.07773	26.3
384.08112	1.3
395.07791	3.8
413.08658	2.8
443.09894	11.9
473.10870	6.5
545.13300	1.5
563.14087	100.0
564.14240	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	563.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80428	0.5
69.64072	4.0
71.01376	1.5
79.01904	1.0
80.13174	0.7
83.01414	0.6
91.05488	0.8
93.03471	1.7
94.70483	0.5
100.13439	0.7
105.97000	0.6
115.00399	1.2
117.03469	6.3
119.05029	0.9
135.04544	2.6
149.02446	1.1
157.01439	0.7
159.04474	1.0
161.02440	3.0
163.04012	1.1
175.02512	1.2
175.04002	2.3
177.01965	0.9
177.05626	1.7
179.03561	0.8
187.04054	0.8
189.01927	0.9
191.03511	1.8
193.27347	0.7
203.03526	1.6
233.04614	0.7
239.07249	0.7
249.05550	0.8
268.07147	0.9
282.05316	2.4
283.06183	4.3
291.51950	0.6
295.06122	4.9
296.06821	3.6
297.07681	20.1
297.11069	1.1
298.07919	1.2
307.06094	2.7
309.07690	3.0
311.05661	3.4
323.05801	5.0
324.06204	1.2
325.07199	11.0
328.05984	2.9
335.05557	1.7
337.07260	4.4
341.06531	1.1
351.05148	1.2
353.06689	49.4
354.06876	3.3
355.08295	0.9
356.05386	1.8
365.06735	6.8
367.07910	0.8
383.07748	36.3
384.07990	2.7
395.07663	3.7
407.07825	1.3
413.08887	3.3
425.08902	3.7
443.09784	8.7
444.10239	1.0
473.10901	12.5
474.11374	1.2
503.12045	5.5
515.13971	0.7
533.12042	0.7
545.13049	2.6
563.14099	100.0
564.14343	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	563.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90570	0.7
57.03429	2.5
59.01117	0.8
59.01385	11.5
68.99804	0.7
69.03456	0.7
71.01392	8.7
71.09368	1.1
72.99332	1.3
73.02930	2.1
75.00857	2.0
79.77010	0.7
82.95398	0.7
83.01384	1.2
83.05075	0.8
85.02954	3.5
87.00895	5.2
88.98815	0.8
89.02459	5.8
93.03464	2.1
95.01369	0.8
96.96014	4.6
99.00868	1.2
99.04491	0.8
100.77833	0.7
101.02458	3.9
109.02914	1.2
113.02457	4.8
115.00381	4.6
117.03485	6.2
119.03468	1.6
119.05025	1.6
121.02954	0.8
125.02469	1.1
133.06593	0.7
135.04517	3.8
143.03436	1.2
147.04485	0.9
149.02393	1.4
149.04497	1.0
157.01398	2.4
159.04555	1.7
161.02426	2.7
161.04466	1.3
163.03963	1.5
165.04070	1.1
173.05992	1.0
175.02455	7.6
175.03975	1.7
177.05560	1.5
179.03383	0.8
179.05615	1.2
189.01938	1.5
189.05519	1.1
190.01439	2.4
191.03505	1.7
193.04982	0.9
203.03508	1.7
221.03181	1.2
222.03995	0.9
223.07567	1.1
224.08374	0.7
255.06490	0.9
267.06985	1.5
281.04654	1.0
282.05295	2.2
283.06128	3.9
293.04333	0.9
295.06146	7.6
296.06967	3.8
297.07697	21.7
298.08173	1.8
307.06177	2.0
309.07733	2.6
311.05545	3.1
323.05569	3.4
324.06265	1.2
325.07184	9.4
328.05930	4.0
335.05783	1.3
337.07233	3.7
344.12637	1.3
353.06680	42.4
354.06985	2.3
355.08472	2.6
356.05301	0.9
359.15027	4.5
365.06677	6.4
366.07138	1.1
383.07730	29.7
384.07953	1.3
387.12125	4.2
395.07501	2.9
413.08682	3.4
425.08737	2.4
443.09839	8.1
461.08905	1.0
473.10876	10.3
503.12137	5.4
545.12811	2.7
563.13959	100.0
564.14447	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.0
57.03456	3.8
57.21196	0.5
58.00596	0.8
59.01385	100.0
60.01719	0.9
60.89038	0.5
61.98843	1.2
69.03461	2.2
69.50388	1.9
69.50816	1.8
71.01391	21.2
71.05037	0.9
72.99313	4.0
73.02952	8.8
75.00867	0.9
79.36882	0.5
81.03478	0.9
83.01398	7.9
83.05053	0.6
85.02959	13.8
85.06595	0.9
87.00874	2.7
87.04513	0.8
89.02448	4.7
93.07110	4.4
95.01392	2.8
96.96043	1.8
97.02985	1.1
97.06618	0.7
98.03754	0.7
99.00882	3.9
99.04561	1.3
101.02454	18.7
102.11512	0.6
108.02216	0.6
109.06624	1.2
111.00934	1.8
112.01705	1.0
113.02467	12.2
116.92933	0.9
119.03568	1.4
119.05040	6.6
119.05838	0.7
121.02982	8.7
123.08234	0.8
125.02485	2.0
129.01967	1.1
131.03549	0.5
137.09729	0.7
143.03519	2.2
149.04611	1.0
159.03091	1.9
161.04568	6.4
163.04041	5.5
177.04463	0.5
185.00990	1.0
185.15427	0.5
197.15701	0.6
209.15459	6.0
221.15721	0.6
227.16551	3.6
294.85718	0.6
322.67612	0.5
335.17267	0.8
339.25656	1.5
353.19708	7.0
357.26367	3.4
371.20844	9.6
389.21783	5.9
413.21552	0.6
429.25458	1.1
439.12659	1.6
441.28967	0.9
453.28690	0.9
465.28986	2.0
471.29657	0.8
483.29666	2.9
501.30728	49.2
502.31000	4.6
519.31769	22.0
520.32520	2.2
561.16205	0.8
561.33667	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	561.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80006	1.0
52.51738	1.0
58.11401	1.2
59.01380	1.2
61.98845	1.2
65.81627	1.2
69.16396	10.3
70.67508	1.1
77.03973	1.2
79.04979	1.1
79.05486	1.2
83.67225	1.0
96.48218	1.1
105.03479	2.6
107.04397	1.0
107.05010	5.2
109.06606	1.6
114.26333	1.0
119.05007	1.5
135.04573	5.8
157.06609	4.7
159.08194	5.2
161.02513	1.8
170.07281	2.0
173.02336	1.9
173.06166	1.2
183.08199	2.3
187.07675	2.2
195.08040	1.9
209.09723	1.5
213.09218	1.7
223.07547	1.2
225.09312	7.5
226.09949	4.8
227.10762	1.9
237.09349	1.8
237.12840	15.2
247.11325	2.1
251.07227	1.9
253.08682	1.7
261.12747	1.6
263.14389	8.6
265.25854	1.2
279.13873	5.9
281.15472	13.4
305.12057	1.5
307.13416	100.0
308.13733	5.8
323.12939	6.7
325.14444	50.3
326.14795	2.5
375.19736	6.0
384.90405	1.3
391.19086	10.2
393.20947	2.3
409.20062	2.6
543.31201	2.4
561.32007	23.4
562.32123	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	561.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98100	0.5
63.53391	0.6
68.99814	0.7
69.20573	5.1
69.66215	0.7
70.44652	0.7
72.39138	0.7
98.19785	0.6
99.04484	0.7
106.04222	1.2
107.05065	1.2
119.05047	3.7
121.02954	1.0
135.04550	1.3
143.05003	2.1
143.93645	0.7
145.06586	0.7
149.02406	1.0
149.06053	0.8
157.06624	3.0
159.08156	3.1
161.02429	0.8
161.06076	1.6
171.08124	0.7
175.04018	0.6
183.08183	1.5
185.09703	1.4
195.08128	2.0
197.09669	0.7
203.07115	0.8
215.07152	2.6
223.07674	1.2
225.05148	0.6
225.09253	2.8
226.09964	0.7
227.14536	0.8
237.09285	1.4
238.09938	0.7
239.10780	1.3
240.11613	0.6
242.09520	0.9
247.11272	1.2
248.12016	0.9
251.07079	2.6
251.14627	0.8
253.08643	1.4
261.12851	7.1
262.13162	1.2
263.07196	1.8
263.10635	0.7
263.14240	1.4
264.07443	0.8
265.08633	2.0
277.08719	0.8
277.12372	2.2
277.15894	0.8
279.14084	1.2
281.15454	3.3
291.10156	1.0
305.11761	2.6
305.19135	10.1
307.13397	2.5
311.60187	0.8
321.18436	0.9
323.12946	2.9
331.20648	3.0
347.19897	1.5
349.21738	0.9
361.04343	0.7
373.18274	1.5
374.18716	0.8
375.19659	100.0
376.20026	8.3
390.17764	1.4
391.19119	22.8
392.19601	2.5
393.20743	9.0
394.21152	1.4
401.25070	0.8
409.19922	1.1
542.87189	0.8
543.31433	2.9
561.32227	26.4
562.32526	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	561.323
Annotation	12,34-Oxamanzamine E
Peak:m/z	Relative Intensity
66.89400	0.6
69.53928	1.3
69.54326	3.6
76.37042	0.7
79.05569	1.3
83.05035	1.0
96.96042	4.6
97.06605	0.9
107.05045	0.9
108.02192	1.1
121.02934	1.2
121.06590	1.0
123.04518	0.8
130.91829	0.7
135.04568	1.1
137.09720	5.2
138.33502	0.6
141.94414	0.7
147.04567	1.2
149.06021	0.8
152.74506	0.6
159.04514	1.0
161.06023	0.7
167.03532	4.2
177.12799	1.5
185.06058	0.7
197.09755	0.9
199.07570	0.8
201.09149	1.2
211.07603	1.0
213.09331	0.9
223.07619	1.1
225.09190	1.8
227.10799	1.5
237.09221	2.1
239.10869	1.1
251.10797	1.4
261.12863	0.9
263.10928	0.7
263.14349	1.3
271.17139	0.7
275.11240	0.7
279.13895	2.4
286.98425	1.4
287.14331	0.7
291.14023	2.1
293.15366	0.9
295.17123	2.2
303.13785	1.8
305.15491	1.8
307.13196	0.8
309.18533	1.2
317.15610	0.9
319.20847	1.0
333.17416	1.4
349.21890	1.9
357.22513	1.5
361.21811	2.2
385.21548	0.7
385.25784	0.9
399.23349	1.5
425.24820	0.6
429.28009	0.8
433.17657	0.8
437.17105	0.6
439.26443	3.1
441.28040	4.4
444.22906	1.0
459.29047	1.0
467.26010	0.8
481.31030	1.8
499.32187	8.1
525.30225	2.1
543.31201	24.2
544.31262	3.3
561.32257	100.0
562.32544	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	561.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	2.4
65.94460	1.5
69.18402	1.6
70.32465	2.0
70.32808	4.6
79.05547	3.5
93.03474	4.3
95.01440	1.7
96.96006	9.1
107.05041	4.2
108.02174	6.3
109.02950	1.5
119.05045	19.2
121.02969	74.8
121.06580	1.6
122.03751	3.1
123.04527	2.7
130.04207	2.8
135.04565	2.1
137.09616	1.7
140.74631	1.5
143.05049	1.9
143.36717	1.6
144.05884	1.5
145.06607	3.7
147.04536	2.7
149.02443	2.6
150.03163	1.8
157.06680	7.0
158.07355	2.5
159.04547	2.9
159.08124	4.6
161.02466	2.8
161.06165	1.8
163.04021	5.3
164.04832	1.7
167.03485	9.4
171.08156	2.8
172.08890	1.5
173.06113	2.6
175.04028	4.8
175.07666	5.1
185.06169	2.3
186.06813	1.8
187.04037	2.3
187.07666	2.1
191.99178	1.8
201.05563	4.0
201.09215	5.1
203.07138	17.2
217.08705	15.2
225.09204	5.1
226.09953	2.4
227.14438	17.0
237.09259	1.8
237.12724	2.0
239.10728	2.9
245.15517	4.5
251.10835	2.1
257.08218	2.6
261.14972	1.6
265.53137	1.6
271.13654	11.9
271.16693	10.7
277.12308	1.5
279.14001	5.5
281.08148	2.0
286.98367	2.6
287.16586	15.4
289.14594	7.7
291.14102	1.6
295.16998	2.5
299.16559	9.0
307.10251	1.6
307.13293	8.3
315.16269	1.9
323.12787	2.8
333.17102	28.4
339.19675	2.6
349.21887	2.4
361.21704	2.4
367.19510	1.6
385.25519	2.0
391.18890	2.0
429.27872	3.9
437.26596	2.5
439.28607	41.3
440.28827	5.4
441.27661	2.3
467.28064	1.7
499.32443	6.0
517.33069	4.7
525.30212	2.3
543.31201	98.8
544.31659	12.8
561.32214	100.0
562.32471	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10989	0.6
55.01900	3.6
57.03441	5.0
58.00596	1.6
59.01385	100.0
60.41751	0.7
69.03458	1.4
71.01388	45.2
72.99310	2.8
73.02952	16.4
75.00880	1.3
83.01395	10.0
84.02119	0.7
84.95145	2.0
85.02956	32.7
87.00889	5.4
88.98842	0.9
89.02454	38.0
95.01394	5.3
96.91628	0.6
96.96014	4.6
97.02996	2.3
99.00883	6.4
99.04547	2.3
101.02453	33.8
111.00933	1.0
113.02461	33.4
119.03499	10.1
119.04212	0.8
125.02473	5.6
127.13228	0.7
129.02010	1.3
131.03513	17.7
137.02470	1.2
137.09753	0.7
143.03508	9.4
149.04564	15.1
155.03548	1.2
161.04573	9.4
161.13359	4.2
173.04630	2.2
179.05611	9.3
189.12834	3.5
203.05701	1.3
205.12350	9.6
215.05684	3.6
225.15121	1.0
249.11296	10.9
293.08920	2.0
313.33813	0.8
335.10110	0.9
357.19199	5.0
385.18637	0.8
399.20145	1.0
427.19693	1.0
429.17633	16.8
429.22894	1.2
430.17911	0.7
453.21411	1.4
501.23511	12.0
519.24475	45.8
520.24774	3.9
561.23419	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	561.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
57.03449	9.4
58.00590	1.7
59.01384	100.0
68.51775	1.2
71.01385	49.3
71.01784	2.5
71.54975	2.5
72.99295	3.9
73.02958	13.1
73.67133	1.5
75.00859	2.2
83.01383	2.9
85.02951	12.4
87.00869	5.7
87.73267	1.3
88.98812	1.3
89.02452	83.8
90.02782	1.3
95.01425	1.6
96.96021	20.8
99.00877	6.9
99.04534	12.4
101.01807	2.2
101.02449	39.4
113.02460	15.4
119.03522	9.4
119.05009	5.5
121.02975	12.9
123.04488	1.4
124.01641	1.3
125.02454	6.4
129.02003	1.4
131.03516	18.6
133.02963	1.6
143.03487	4.0
149.04564	73.2
150.04948	1.4
151.00377	2.4
161.04607	6.4
161.13402	7.8
163.04018	8.3
168.00620	1.6
173.04597	1.4
178.99832	1.7
179.05655	2.2
187.11220	1.3
191.05667	8.9
197.04619	2.9
197.33289	1.3
205.12355	10.9
221.06593	2.1
249.11333	9.5
251.07529	3.5
267.12390	2.0
283.02521	2.0
284.03131	1.4
311.09851	3.1
383.07523	2.4
399.14819	2.9
420.18552	1.6
429.16534	10.6
429.21686	6.2
501.30847	1.5
538.83685	1.5
546.53418	1.5
561.21991	16.4
562.22638	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	561.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10989	0.6
55.01900	3.6
57.03441	5.0
58.00596	1.6
59.01385	100.0
60.41751	0.7
69.03458	1.4
71.01388	45.2
72.99310	2.8
73.02952	16.4
75.00880	1.3
83.01395	10.0
84.02119	0.7
84.95145	2.0
85.02956	32.7
87.00889	5.4
88.98842	0.9
89.02454	38.0
95.01394	5.3
96.91628	0.6
96.96014	4.6
97.02996	2.3
99.00883	6.4
99.04547	2.3
101.02453	33.8
111.00933	1.0
113.02461	33.4
119.03499	10.1
119.04212	0.8
125.02473	5.6
127.13228	0.7
129.02010	1.3
131.03513	17.7
137.02470	1.2
137.09753	0.7
143.03508	9.4
149.04564	15.1
155.03548	1.2
161.04573	9.4
161.13359	4.2
173.04630	2.2
179.05611	9.3
189.12834	3.5
203.05701	1.3
205.12350	9.6
215.05684	3.6
225.15121	1.0
249.11296	10.9
293.08920	2.0
313.33813	0.8
335.10110	0.9
357.19199	5.0
385.18637	0.8
399.20145	1.0
427.19693	1.0
429.17633	16.8
429.22894	1.2
430.17911	0.7
453.21411	1.4
501.23511	12.0
519.24475	45.8
520.24774	3.9
561.23419	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	561.2498
Annotation	Protoporphyrin
Peak:m/z	Relative Intensity
58.38855	0.6
59.01371	1.5
61.98830	1.1
71.54846	1.0
81.58754	0.6
82.07602	0.6
96.96011	0.7
107.05006	1.2
108.02158	1.7
109.02979	1.3
119.05020	2.0
121.02974	1.6
122.03730	1.1
123.00924	1.8
123.04545	0.9
133.02954	1.0
135.04507	1.1
136.01683	5.2
143.05099	1.1
147.00862	0.7
148.01669	1.8
149.02444	3.8
157.06538	1.7
159.04498	0.7
159.08177	11.2
161.02451	2.3
163.03918	1.1
165.01836	1.3
173.06070	5.2
175.04005	1.0
175.07562	1.1
176.01083	3.8
177.01930	5.1
182.02065	0.8
187.11227	1.2
191.03470	2.1
192.04297	1.0
193.01427	0.8
201.05396	0.8
201.12897	0.8
217.05092	11.2
225.09207	1.3
269.08139	0.8
279.13818	2.0
284.14182	1.9
307.13266	3.1
313.14240	0.7
323.05673	0.7
323.12762	1.0
333.16968	0.9
341.06726	1.1
353.17596	9.2
371.18570	2.5
373.20050	1.2
374.06543	1.4
383.07874	1.6
388.07950	1.9
396.04657	0.7
401.23352	8.1
425.12238	5.2
429.27829	1.2
477.15237	1.4
499.31940	0.9
503.20364	0.7
517.33258	2.3
531.20349	5.2
543.31720	1.3
561.24854	100.0
561.32281	11.4
562.25269	11.2
562.32983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
57.03456	5.7
58.00583	1.7
59.01386	100.0
59.88149	1.1
70.44366	1.2
71.01389	49.7
71.55269	1.5
72.19888	1.3
72.99303	3.7
73.02956	13.9
75.00886	1.1
77.12893	1.0
81.03474	1.2
83.01387	7.3
83.05014	1.6
84.95147	1.1
85.02959	31.8
87.00872	4.7
88.98808	2.1
89.02452	43.7
95.01391	3.4
96.96022	9.9
97.02934	2.1
97.33408	1.1
99.00877	5.7
99.04527	4.4
101.01796	2.5
101.02448	35.7
111.00872	2.2
113.02460	28.8
119.03517	14.6
125.02452	4.4
131.03508	14.7
143.03523	7.6
149.03517	2.0
149.04584	22.7
161.04570	10.3
161.13362	9.9
173.04619	1.4
179.05641	9.3
189.12804	1.4
203.05643	1.7
205.12373	22.6
215.05612	2.0
249.11307	23.8
250.11708	2.0
293.08609	1.8
357.19174	5.4
375.44812	1.5
381.15430	1.9
385.18735	1.9
429.17560	39.7
429.23105	2.2
430.18124	2.1
501.23520	8.6
519.24475	33.0
520.24756	2.4
535.81915	1.4
561.21692	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	561.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77711	1.1
55.01885	1.8
56.15555	1.1
57.03451	1.7
58.00593	4.5
59.01385	100.0
59.98519	1.2
69.23522	11.7
71.01385	56.2
71.11566	1.0
72.99300	4.4
73.02959	12.0
75.00861	2.0
79.05578	1.2
83.01389	3.8
85.02946	10.0
87.00892	4.5
88.73799	1.1
89.02451	79.4
89.21732	1.2
93.03469	1.4
95.01401	3.9
96.96019	4.0
99.04536	7.4
101.02451	29.8
103.04016	2.5
111.04541	2.2
113.02461	23.1
113.06038	1.2
116.92842	2.0
119.03508	29.0
121.02969	6.1
122.03731	3.6
125.02479	1.4
125.06159	1.3
131.03474	9.5
136.01666	75.4
137.01997	1.9
143.03513	4.5
149.04567	75.3
151.04019	97.8
152.04341	1.7
161.04550	5.2
161.13367	22.3
170.50551	1.3
175.03972	1.4
179.05646	15.7
187.04034	1.8
187.11371	3.5
195.05107	1.9
205.12338	58.5
206.12675	1.9
223.13354	1.7
249.11334	61.3
250.11768	1.4
330.34036	1.2
342.11014	3.7
357.13452	83.6
358.13770	6.5
371.33725	1.5
381.15594	6.1
385.18619	4.6
429.17673	59.4
430.17871	3.7
508.11887	1.2
561.21948	80.4
562.22906	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	561.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
57.03447	2.4
58.00597	0.6
59.01384	100.0
59.24775	0.5
59.43390	0.6
60.01718	0.9
61.74635	0.5
64.34663	0.5
65.66403	0.4
67.77171	0.5
69.56131	3.2
71.01386	11.7
72.99328	0.8
73.02953	5.3
83.01392	2.7
83.05070	0.5
85.02957	7.5
87.00899	1.7
89.02450	4.9
95.01411	1.3
96.96016	1.3
97.02957	1.1
97.06621	0.9
98.19995	1.2
99.00887	1.5
99.04542	1.7
101.02438	8.4
109.06675	0.7
111.00907	0.7
113.02452	6.2
119.03526	1.2
121.15881	0.5
125.02483	1.4
131.03514	0.6
134.03789	0.9
139.11421	0.6
141.12830	0.7
143.03502	1.1
149.04590	1.3
151.00392	1.3
153.02010	0.8
157.12373	0.6
159.11797	0.6
160.01706	0.8
161.04588	3.0
174.29796	0.6
178.99928	2.4
179.03487	0.6
193.05161	1.0
195.04599	1.4
197.11879	1.4
211.03935	1.2
211.13350	0.6
223.04117	1.0
235.06053	1.3
239.03542	7.8
253.09384	1.3
267.03006	17.4
267.05798	1.0
268.03455	0.6
282.05350	54.7
283.05798	2.5
297.07678	60.5
298.08054	2.8
312.54025	0.6
325.20157	2.8
339.25500	1.5
341.05008	1.2
348.18231	0.6
357.26526	3.2
441.29111	0.8
464.09543	1.0
471.29730	0.6
483.29663	1.4
501.30725	32.3
502.31424	2.0
519.31744	11.6
520.32336	0.7
543.15350	0.7
543.32355	0.9
561.16370	1.7
561.33185	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	560.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
58.00599	1.6
59.01383	29.4
59.97744	0.9
65.03972	2.6
69.75518	4.5
71.01389	23.0
71.05043	0.8
72.99329	1.8
85.02974	3.8
87.00881	1.8
88.04058	6.5
89.02451	29.8
95.01406	1.3
101.02451	12.6
113.01711	1.3
113.02454	9.4
119.03526	10.5
119.05018	3.5
121.03027	1.7
126.09255	1.9
127.04053	0.9
131.03549	2.0
134.73486	0.8
143.03487	3.0
146.08249	1.7
149.04559	2.3
154.08772	2.7
161.04642	4.0
161.36237	0.9
179.05630	21.5
181.05043	1.0
186.11353	10.2
204.12421	6.6
218.10376	6.2
218.13988	100.0
219.14336	4.5
269.28577	0.9
341.10901	70.8
342.11157	3.2
343.10333	1.3
431.56409	1.0
463.20380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31830	0.2
57.03458	0.2
59.01382	5.6
69.00891	0.2
71.01388	2.8
71.55172	0.2
71.55562	0.2
72.99322	0.3
73.02950	0.7
75.00902	0.5
79.95747	3.2
83.01385	0.4
83.05046	0.2
85.02932	0.8
87.00870	0.4
89.02453	3.0
95.01430	0.2
96.96021	100.0
97.02921	0.2
99.00891	0.3
101.02451	1.5
113.02489	1.4
119.03503	0.5
125.02425	0.4
131.03516	0.7
143.03510	0.3
148.84183	0.2
149.04581	2.4
161.02356	0.2
161.04533	0.6
179.05553	0.2
191.05574	0.2
203.05713	0.2
205.12436	0.4
249.11360	0.5
289.07468	0.2
327.28299	0.2
387.20236	0.3
429.17496	0.3
463.08737	0.3
519.24622	0.8
561.19586	0.3
561.26080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57220	0.8
65.95116	0.8
72.86774	0.8
93.80259	1.0
159.04549	1.3
185.06110	1.1
192.34058	0.8
225.09247	10.1
226.09857	1.1
237.09235	3.2
239.10793	3.3
249.09230	1.1
291.13934	1.8
293.15540	6.1
295.17093	3.7
331.17175	1.4
391.89859	1.0
409.27600	1.9
445.27649	6.3
457.27368	5.6
471.32703	2.8
515.24255	1.0
515.35321	21.3
516.35803	2.0
559.34344	100.0
560.34790	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.343
Annotation	Oleoyl danshenxinkun A
Peak:m/z	Relative Intensity
54.24197	1.1
59.01370	1.5
61.99421	1.1
64.35557	1.3
69.68649	3.0
69.69077	4.4
69.86613	1.1
83.05017	2.0
106.35722	1.1
106.40764	1.2
107.05022	1.8
108.02158	1.9
109.06579	1.2
109.55658	1.2
119.05040	2.9
121.02981	2.7
140.96416	1.2
147.04463	2.1
159.04578	1.2
159.08148	1.5
171.04533	1.1
187.11334	1.9
199.07529	1.4
223.07651	3.2
225.09262	15.1
233.06046	1.7
235.07831	1.4
237.09140	2.8
239.10666	3.3
251.07155	4.3
258.65430	1.2
261.09146	1.4
263.07074	1.6
264.07925	2.1
265.12042	1.5
267.91321	1.2
277.12195	2.1
277.21738	1.6
279.14102	1.4
293.15512	3.8
295.17050	21.0
296.17682	1.7
299.16559	2.1
301.14386	1.2
303.10339	8.0
304.10983	5.7
313.66797	1.1
321.11404	2.1
331.16763	1.4
345.18857	1.2
347.20081	1.5
371.18893	1.7
373.18182	19.0
374.18338	1.6
389.17548	2.9
391.19202	8.9
409.27548	2.2
413.24973	1.8
439.25525	1.5
445.27585	12.4
449.27026	1.4
457.27567	14.2
499.31976	1.4
515.35645	27.1
516.35754	4.3
527.27985	3.6
559.34753	100.0
560.35120	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	559.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32120	0.8
54.34927	0.8
57.02989	0.7
59.15720	0.8
66.83450	0.8
79.96079	0.7
80.12916	0.7
81.51217	0.7
91.58732	0.8
91.96143	0.8
98.20644	2.1
159.04532	6.5
223.07721	1.1
225.09233	10.2
226.09752	1.3
239.10805	1.3
269.08151	0.8
279.14038	1.1
293.15433	0.8
295.17038	3.1
305.15500	12.5
307.13901	1.0
315.14059	2.2
321.18692	0.9
371.20203	5.7
372.20490	1.0
377.21164	6.3
385.21863	1.3
389.21329	2.4
427.26535	2.4
439.26437	1.0
445.27536	3.6
457.27441	2.4
481.31274	3.1
495.32788	3.2
497.23633	1.2
497.34320	8.0
498.34680	1.3
500.22186	1.4
515.24609	5.4
515.35315	15.2
516.35504	1.3
559.34344	100.0
560.34705	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	559.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97003	0.4
53.24885	0.4
57.63459	0.4
68.44916	0.4
69.33287	3.5
73.90433	0.4
89.03220	0.4
107.05075	0.7
107.85826	0.4
119.05017	2.3
121.02972	1.2
134.03760	0.7
149.02426	0.9
149.06082	2.0
161.02327	0.6
206.46016	0.4
212.71817	0.4
223.07678	0.8
225.09219	35.2
226.09552	1.8
227.14307	0.4
237.09204	9.3
238.09583	0.6
239.10741	0.9
245.15529	0.4
252.11009	0.4
263.07245	0.8
264.07861	0.6
265.08755	0.4
272.10410	0.8
279.13965	0.8
295.17041	100.0
296.17377	6.8
303.10345	1.4
304.11127	1.0
316.54401	0.4
339.12158	0.8
339.16055	8.3
373.18048	3.6
375.19525	1.3
389.17603	1.1
391.19147	0.8
453.26166	0.4
457.27158	0.5
505.33850	0.4
541.30035	1.1
559.30408	12.5
560.31268	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	559.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19650	1.4
53.39217	1.5
58.93372	1.5
61.98834	4.5
88.22414	1.6
106.06641	1.7
107.05037	2.3
129.64897	1.7
147.04604	2.0
149.05978	1.8
159.04518	5.5
207.10266	2.2
225.09253	19.0
239.10835	2.4
276.24371	1.9
277.21881	7.9
279.13913	21.7
290.24893	1.8
293.15512	4.7
294.16245	18.2
295.17038	6.8
443.22296	3.4
453.56067	2.2
457.27441	13.6
457.32901	2.3
471.25876	3.1
474.27838	2.0
487.25104	4.1
497.23834	8.0
499.21448	3.4
500.22250	23.8
513.22650	1.9
515.24579	74.8
515.35297	36.2
516.24725	11.5
516.35822	4.0
559.24005	5.8
559.34302	100.0
560.26416	1.9
560.34296	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	559.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.98809	0.9
69.95374	3.1
79.05534	1.1
83.05020	1.0
93.03464	1.7
95.04994	0.9
101.21075	0.7
107.05019	1.3
108.02243	0.8
119.05041	10.6
121.02944	2.2
123.04546	0.8
135.04568	2.0
139.00378	1.1
143.05037	1.4
144.05704	0.8
144.39584	0.6
147.04539	1.2
149.02448	1.4
157.06586	1.6
159.04550	5.6
159.08168	9.0
160.05266	0.8
161.02504	0.8
163.03944	0.8
164.04843	0.6
171.04568	0.7
171.08098	0.8
172.08926	0.8
173.06088	0.9
173.09605	0.8
175.03975	1.8
175.07625	1.0
177.05605	0.9
187.07713	1.2
187.11273	4.4
189.05597	0.9
197.06163	5.0
198.06833	0.9
199.07751	0.9
199.11261	1.4
201.05553	0.9
211.07637	3.2
212.08386	2.7
213.09254	1.4
215.07088	1.0
216.12643	0.8
223.07550	1.8
224.08301	0.7
225.09239	6.1
226.09868	1.9
227.10797	35.2
227.14317	1.4
228.11172	1.5
231.06665	1.3
235.07642	0.9
237.09259	1.9
239.10762	2.0
243.13820	1.1
249.09290	1.0
263.10757	1.0
267.06622	1.2
275.10709	0.9
277.12177	1.5
279.14038	1.2
287.16550	2.2
291.13776	0.8
293.15561	2.1
299.16544	1.7
301.12158	1.0
303.13580	1.4
305.15399	3.6
315.16394	1.4
317.12149	0.8
317.15457	4.4
318.16324	0.7
329.18054	0.8
331.16565	0.9
349.21686	2.2
350.14996	0.9
352.53616	0.7
355.18854	0.8
359.20142	1.1
361.21872	2.7
371.18802	1.8
389.17453	1.2
397.21680	0.7
399.22946	9.0
400.23718	1.0
405.20718	2.1
419.18338	0.9
427.26480	1.1
437.26556	0.8
439.26324	2.2
445.27359	0.8
457.27554	7.9
458.27866	0.9
483.25256	1.6
497.30811	1.2
501.26486	19.7
502.26749	1.1
515.32477	3.9
541.29688	13.7
542.29987	1.2
559.30652	100.0
560.31140	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	559.3072
Annotation	Inocalophyllin A
Peak:m/z	Relative Intensity
71.01393	1.6
71.21350	2.2
71.25164	1.1
80.96494	1.4
81.95335	1.4
82.96115	7.9
82.96945	1.9
83.05061	1.3
91.01889	1.4
93.03457	1.3
94.61512	1.0
96.97656	2.4
119.05045	15.1
135.04553	1.8
137.09756	1.8
139.00362	1.2
143.05005	2.4
145.02939	1.8
154.02660	1.2
157.06635	1.3
158.86075	1.2
159.04509	2.6
159.08189	7.9
163.00366	3.3
163.04008	1.5
164.04449	1.2
175.03978	1.4
175.07640	2.3
175.63477	1.0
176.51642	1.1
191.03508	2.1
196.64305	1.1
223.07632	4.4
224.08362	1.5
225.09166	1.8
226.10031	1.1
227.10881	1.7
227.14427	6.1
235.07712	2.0
236.08502	1.5
237.09308	2.6
239.10684	1.5
243.13977	1.2
249.09198	2.4
251.07127	1.3
259.09625	1.6
277.08502	1.3
277.12350	3.4
279.06586	1.3
283.06186	2.7
291.13992	1.4
303.10376	1.2
303.13843	1.5
317.11676	1.4
319.13312	1.3
321.11307	1.6
331.15631	4.2
347.20187	1.7
359.19873	1.2
375.19684	1.6
377.20993	1.1
388.18542	1.0
389.17609	3.0
391.11713	1.0
399.21268	1.2
413.17520	1.2
419.18549	6.9
427.26566	2.3
429.17542	1.2
439.26480	4.3
457.27283	1.7
458.83731	1.5
464.29425	1.2
465.24118	1.5
483.25589	1.8
484.25610	1.6
497.30484	3.8
515.31842	4.3
523.28613	2.1
526.33118	1.1
541.29688	26.3
542.30096	2.8
559.30481	100.0
560.31018	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	559.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92354	0.8
55.01867	1.3
57.03457	5.4
59.01385	47.4
61.98830	1.7
69.03427	1.4
69.52135	5.1
71.01022	1.4
71.01390	24.5
71.05020	1.1
72.99310	6.0
73.02951	4.2
75.00879	19.5
83.01389	2.6
83.05016	1.3
85.02466	1.4
85.02959	23.9
85.06575	1.1
87.00898	7.5
87.04506	1.3
89.02437	6.0
89.22006	1.1
91.03990	0.8
93.47955	0.7
95.01395	5.5
96.96008	2.7
97.06583	1.3
99.00896	12.8
99.04533	1.5
101.02441	4.8
103.00346	2.2
109.06591	1.5
111.00876	1.8
111.04556	0.9
113.02460	28.8
114.02786	0.8
115.00356	1.7
117.01932	2.8
129.01898	2.2
131.03458	0.9
149.04485	1.0
155.36714	0.7
156.49142	0.8
157.01448	4.5
161.04533	1.1
167.10692	0.8
172.36775	0.9
175.02449	3.1
175.99280	0.8
179.14313	1.4
181.12201	0.8
195.13910	6.2
205.07214	1.4
205.12289	1.0
211.08603	0.9
221.15367	2.9
223.13367	2.8
231.05013	1.4
235.17087	0.9
239.16431	1.1
249.06177	5.6
267.07315	4.8
291.19662	9.4
309.17786	1.0
309.20801	12.8
327.21820	1.9
355.24808	1.7
415.23257	1.3
499.29181	7.6
517.29926	3.1
541.26166	3.3
559.27454	100.0
560.27765	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	559.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.9
60.55122	1.7
68.98495	1.7
69.06226	1.5
69.76198	7.6
70.38379	1.6
71.01373	2.1
71.05012	6.0
73.02944	1.7
75.42283	1.6
76.30890	1.7
87.78176	1.8
104.97829	1.9
123.00823	2.6
124.01683	3.2
128.03949	1.9
134.70493	2.0
135.04506	5.2
187.07614	6.8
189.09264	2.3
207.10287	23.6
223.07518	1.9
226.09909	4.3
233.11887	3.2
237.09215	17.1
238.09895	5.2
239.10805	4.5
241.12361	7.5
252.07997	2.7
253.12366	7.1
257.65479	1.8
277.12445	3.0
278.13080	3.5
293.15475	23.4
294.15915	2.3
309.14938	10.3
311.16553	47.0
312.16739	3.2
325.14438	5.4
355.15506	100.0
356.15872	8.9
370.90366	2.2
389.63690	2.1
559.27332	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	559.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30761	1.1
56.66138	1.3
57.03447	2.0
58.18797	1.2
59.01387	35.7
61.98832	2.4
68.20266	1.3
71.01393	7.9
71.05022	3.2
71.55257	2.0
73.02940	2.9
74.82583	1.3
75.00883	4.9
85.02955	4.2
89.02447	2.2
96.96024	3.4
97.02981	1.9
97.06649	1.5
101.02426	2.8
113.02473	5.1
123.00886	3.7
135.04576	2.5
137.02437	5.2
147.04543	2.2
149.06100	1.8
165.01894	2.2
167.03477	2.0
175.07713	2.3
197.11844	3.7
207.10263	25.6
208.10701	1.5
209.11874	1.4
223.16899	2.2
225.09244	2.5
233.11923	2.0
237.09225	23.4
238.09932	6.2
239.10815	1.5
241.12326	3.9
253.12312	12.8
278.13116	3.4
279.13916	3.1
293.15469	23.3
295.13474	2.9
309.14969	17.8
311.16525	52.1
312.16730	3.4
325.14380	6.8
355.15518	100.0
356.15909	5.8
515.28571	6.1
527.28656	2.1
531.06818	1.4
559.18060	1.6
559.26935	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	559.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.8
59.01384	4.6
68.92757	0.5
69.75866	2.5
71.01403	1.3
71.05033	5.2
75.00864	1.1
85.02932	0.9
92.09518	0.6
95.01380	1.4
98.19961	0.7
109.02957	0.7
119.05006	0.7
121.02924	0.6
123.00904	4.3
124.01643	3.0
126.21237	0.7
135.04526	4.9
137.02440	1.4
147.04529	2.0
161.02417	1.3
179.03412	1.3
186.59248	0.6
186.93109	0.6
187.07649	6.8
189.09267	2.9
207.08360	1.2
207.10275	20.1
208.10623	0.7
210.06905	0.8
215.10786	1.0
223.07585	1.0
224.08632	0.9
225.09146	3.8
226.10025	4.4
227.10678	1.1
233.11797	3.1
237.09204	14.9
238.09950	5.2
239.10780	3.4
241.12331	9.7
251.09290	0.7
252.07933	2.5
253.12367	7.4
277.12372	2.4
278.13043	4.2
279.13788	1.7
291.13794	1.2
293.15512	23.4
294.15811	0.9
295.13324	1.6
296.14075	1.1
309.15027	10.6
311.16531	43.4
312.16855	2.7
325.14554	3.4
355.15518	100.0
356.15884	7.0
397.72784	0.6
441.08203	0.7
559.29706	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19029	2.4
59.01384	15.7
69.56754	9.2
69.57180	9.2
71.01379	5.6
71.05015	4.9
93.03470	2.6
113.02473	3.9
128.97864	3.1
135.04546	5.6
187.07649	8.4
203.83868	2.6
207.10251	16.7
226.10045	4.4
237.07031	2.8
237.09203	16.5
238.10179	3.8
239.10732	2.8
241.12407	9.8
252.08075	2.7
253.12369	7.4
293.15622	21.6
309.14981	10.2
311.16565	39.7
325.14398	3.6
347.61398	2.7
355.15515	100.0
356.15784	8.5
521.91266	3.2
559.14709	4.3
559.27405	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	559.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50271	0.7
59.01385	3.8
63.96226	1.0
68.43938	0.6
69.03480	0.7
71.01390	8.9
73.02954	3.2
78.98611	4.7
79.95737	8.9
80.96525	46.8
81.03417	0.9
82.67380	0.6
82.95374	0.7
85.02957	3.1
87.00874	2.4
89.02447	1.6
94.98100	13.6
96.96014	2.2
97.02971	0.8
98.19875	1.9
99.00910	0.9
101.02441	3.8
106.98101	2.3
113.02476	1.3
122.97607	3.7
125.02447	3.1
134.97568	2.9
148.99147	4.5
149.06068	4.1
151.00446	0.8
152.98647	4.7
161.14461	0.7
164.98650	9.4
182.99660	1.8
193.05083	0.9
202.60704	0.7
206.99695	3.1
209.11865	2.6
225.00769	18.3
243.01836	2.0
299.04520	2.5
316.83786	0.7
339.09454	0.9
431.50012	0.8
457.81607	0.7
479.06393	1.3
527.17792	1.6
559.20728	100.0
560.21118	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	559.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26889	0.5
57.03435	1.6
59.01385	11.0
59.01831	0.5
63.96227	1.2
69.03451	1.2
70.67756	0.5
70.72343	1.5
71.01007	0.9
71.01386	10.8
72.99347	0.6
73.02944	3.1
75.00863	1.0
78.98604	5.3
79.95748	7.2
80.96524	52.8
81.03471	1.4
82.95417	2.1
83.05037	1.0
85.02959	3.9
87.00876	3.3
89.02451	4.5
94.98100	12.0
96.96017	4.0
97.02955	1.8
99.00897	1.9
99.04514	1.0
101.02462	4.3
106.98093	1.7
108.63129	0.5
113.02465	3.1
117.48973	0.5
119.03530	0.9
119.05048	0.8
122.97580	4.7
125.02454	5.5
126.90428	1.3
127.04002	0.8
133.05057	1.3
134.03787	1.2
134.97630	3.3
136.99153	1.4
148.99155	5.6
149.04575	1.6
149.06047	1.4
152.98645	6.1
154.99893	1.2
164.98636	9.6
182.99687	2.2
188.14719	0.6
188.98550	0.7
193.05083	0.7
206.99748	2.8
209.11798	2.8
225.00748	18.7
243.01797	1.5
247.13155	0.7
249.06154	1.7
293.08911	0.6
299.04477	2.3
307.08234	0.8
337.09390	1.1
383.12225	1.0
427.20480	0.8
479.06738	0.9
516.83881	0.6
527.17957	2.5
559.20721	100.0
560.21045	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	559.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03450	1.5
58.00603	1.5
59.01386	36.3
59.14102	0.7
67.01886	3.0
69.03452	3.1
69.86345	4.7
71.01391	23.2
72.99314	1.1
73.02940	2.9
75.00864	1.6
79.05540	2.3
83.01401	2.0
85.02963	6.1
87.00872	2.2
89.02454	14.6
91.05540	3.0
95.01382	3.6
96.95998	0.9
99.00890	1.6
101.02462	10.9
105.01942	1.6
107.01376	1.1
107.05044	11.1
113.02470	7.2
115.27913	0.8
119.03520	5.7
120.79726	0.9
121.02967	3.6
123.00900	20.9
124.01685	1.5
131.08667	1.9
133.02957	2.8
134.03735	1.1
135.04539	40.9
138.03210	2.3
148.01721	2.3
148.05424	1.1
151.00389	5.1
152.01117	1.2
157.06680	4.3
159.04503	2.9
161.02484	4.7
161.04535	1.3
161.62151	1.0
162.03241	48.8
163.03845	1.7
163.07664	1.6
164.01164	1.6
165.04082	5.8
173.06064	1.5
174.06956	1.6
175.07658	79.6
176.01147	3.8
176.07986	3.8
177.05608	3.8
178.99869	6.3
184.29666	1.0
185.00919	2.5
187.04005	1.4
189.01901	2.5
191.03508	3.1
193.08713	28.1
201.05626	5.5
202.06386	1.5
203.03555	1.1
203.07111	1.2
215.07005	1.8
216.84171	0.9
265.05090	1.1
293.08163	1.7
307.83032	0.9
321.11096	1.0
339.08719	1.1
347.09302	3.2
355.13992	39.3
356.14340	1.8
358.06012	0.9
364.09604	9.2
365.10306	3.1
379.11884	58.5
380.12238	5.2
382.10867	1.4
397.09067	3.3
397.13651	4.9
499.16086	1.6
527.15759	3.6
544.15863	4.4
559.18250	100.0
560.18433	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	559.167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01887	0.9
55.01878	1.5
57.03456	5.9
58.00599	1.3
59.01384	47.8
60.78323	0.9
61.98866	1.0
67.01861	1.6
68.99822	1.8
69.03458	1.9
69.50234	5.7
71.01387	46.3
72.99310	9.1
73.02961	5.1
75.00885	16.4
78.64539	1.1
82.57632	0.9
82.95414	5.4
83.01407	5.6
84.95107	1.2
85.02962	30.4
87.00883	17.7
87.04511	2.2
89.02456	39.3
89.03944	1.7
93.03479	1.4
95.01405	8.2
96.95998	4.8
98.20632	2.0
99.00898	12.3
99.04520	1.2
101.02450	9.5
102.70853	1.0
103.00381	3.1
111.00882	2.8
113.02464	39.0
115.00375	2.9
115.04045	1.3
117.01947	2.0
117.03471	7.5
119.03483	2.1
125.02469	5.2
127.04015	1.3
128.03545	1.1
129.01964	3.7
131.03517	1.4
132.02167	1.6
133.03009	4.8
133.05083	84.0
134.03758	60.0
135.04483	4.1
137.02444	2.8
143.03496	1.4
149.04547	2.2
149.06128	4.9
157.01436	1.5
160.01675	8.7
161.02396	1.7
161.04594	2.4
162.03224	3.4
173.06070	1.1
175.02470	5.2
175.04007	10.9
175.07675	5.2
176.82896	1.1
177.01941	1.6
179.05632	1.6
187.02515	1.3
193.03528	5.7
193.05080	38.5
193.08661	1.7
193.60426	0.9
231.05109	2.4
249.06163	36.1
257.62390	1.0
267.07077	10.2
276.06589	1.6
311.03577	1.0
339.09363	9.1
355.13965	3.4
363.10733	1.6
365.10767	2.2
366.09464	1.8
379.11920	4.5
381.12039	2.8
383.11948	50.4
384.12238	3.0
425.10849	13.7
427.19244	1.0
443.11990	10.2
499.26385	1.2
515.13879	7.9
516.15082	1.1
517.26270	2.9
536.88452	1.0
559.16711	100.0
560.17065	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.0
55.27247	0.2
56.99837	0.2
57.03442	0.7
59.01385	8.2
69.03470	0.8
71.01385	3.5
72.99316	1.4
73.02951	1.0
75.00879	47.0
76.01211	0.3
82.95432	3.9
83.01404	0.4
83.05036	0.3
85.02948	1.7
87.00872	2.1
89.02444	2.0
93.03491	0.4
95.01370	0.3
96.96017	1.8
99.00896	1.1
99.04525	0.4
101.02460	2.1
103.00388	0.8
105.01939	1.1
113.02454	0.8
117.01947	1.1
119.03535	0.4
121.02973	0.5
125.02448	0.4
129.01955	8.4
131.03539	0.3
134.03758	0.3
135.03003	0.6
137.02473	0.8
143.11768	0.3
147.03020	2.6
147.04263	0.3
147.04570	0.3
148.05316	15.0
149.05647	0.5
151.00334	0.4
161.04558	0.5
163.07664	18.9
164.07985	0.5
165.04054	100.0
166.04366	1.8
182.88072	0.3
185.00984	0.7
192.07585	0.3
193.05063	0.3
229.19354	0.3
233.02933	0.3
265.19031	0.3
353.06680	0.8
367.14160	0.4
439.15128	0.3
559.15869	2.2
559.24164	1.1
559.31964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	12.5
59.01387	73.1
61.98840	2.8
69.03446	4.5
71.01392	19.2
71.55147	2.4
72.99326	2.1
73.02966	8.3
75.00895	1.9
77.36994	1.7
83.01399	3.7
85.02968	7.7
86.21658	1.5
87.00893	5.3
89.02456	9.1
90.27423	1.7
95.01405	3.0
96.96022	27.5
99.00896	3.8
99.04549	13.6
101.02447	15.8
108.02142	1.9
109.03033	2.4
113.02464	11.6
115.41225	1.7
119.03477	3.2
119.05054	2.0
121.02983	4.5
122.03773	2.6
125.02450	7.3
133.02977	3.6
135.02994	1.8
135.04547	2.5
146.03737	2.1
148.01678	5.5
149.02457	3.9
159.04584	2.1
161.02466	22.4
161.04578	4.9
161.09773	2.1
163.04050	2.0
175.03976	2.2
176.44962	1.8
179.05614	2.4
185.00897	3.1
186.03236	2.3
187.11195	2.0
190.02809	2.4
195.81738	1.8
207.08269	2.9
208.08968	2.3
209.06029	3.8
209.82889	1.8
223.11345	1.7
223.13420	4.0
224.08447	2.5
231.50839	2.1
237.05563	6.5
251.07153	75.3
252.07878	21.7
266.09415	5.8
267.10260	100.0
268.10629	5.0
295.05685	2.0
296.06946	1.8
309.08270	1.8
309.11780	4.7
310.08444	5.0
311.09299	93.0
312.09671	7.5
318.94507	1.8
331.81470	1.7
415.23526	2.4
457.24088	1.7
469.49805	1.7
499.29178	5.1
500.13440	2.1
515.15601	64.0
516.15906	7.2
521.33679	4.7
523.34540	3.3
528.75970	2.6
559.24042	26.7
559.31671	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	559.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01383	8.6
61.98833	0.4
71.01393	1.2
73.02951	0.6
79.95750	3.4
83.01399	0.3
85.02953	0.6
87.00887	0.2
89.02465	0.5
95.01404	0.2
96.96020	100.0
99.00900	0.3
99.04569	0.2
101.02438	1.2
106.02865	0.2
107.05039	0.6
109.01570	0.2
113.02440	0.9
114.93434	0.9
115.92081	0.2
116.92875	1.1
122.03768	0.2
124.01696	0.2
137.02393	0.2
161.02477	0.2
161.04594	0.3
163.00435	0.2
175.07642	2.1
177.01996	0.2
178.02824	0.3
186.85052	0.1
206.02219	0.4
213.09222	1.8
217.08748	0.2
221.04575	0.3
237.11325	0.3
241.01563	0.3
242.02319	0.6
254.88231	0.2
257.08286	0.3
270.01755	0.5
298.01254	0.2
396.09058	0.2
397.13004	1.1
397.68973	0.2
473.11523	0.3
499.29135	1.4
517.29962	0.7
559.15686	1.5
559.31476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	12.5
59.01387	73.1
61.98840	2.8
69.03446	4.5
71.01392	19.2
71.55147	2.4
72.99326	2.1
73.02966	8.3
75.00895	1.9
77.36994	1.7
83.01399	3.7
85.02968	7.7
86.21658	1.5
87.00893	5.3
89.02456	9.1
90.27423	1.7
95.01405	3.0
96.96022	27.5
99.00896	3.8
99.04549	13.6
101.02447	15.8
108.02142	1.9
109.03033	2.4
113.02464	11.6
115.41225	1.7
119.03477	3.2
119.05054	2.0
121.02983	4.5
122.03773	2.6
125.02450	7.3
133.02977	3.6
135.02994	1.8
135.04547	2.5
146.03737	2.1
148.01678	5.5
149.02457	3.9
159.04584	2.1
161.02466	22.4
161.04578	4.9
161.09773	2.1
163.04050	2.0
175.03976	2.2
176.44962	1.8
179.05614	2.4
185.00897	3.1
186.03236	2.3
187.11195	2.0
190.02809	2.4
195.81738	1.8
207.08269	2.9
208.08968	2.3
209.06029	3.8
209.82889	1.8
223.11345	1.7
223.13420	4.0
224.08447	2.5
231.50839	2.1
237.05563	6.5
251.07153	75.3
252.07878	21.7
266.09415	5.8
267.10260	100.0
268.10629	5.0
295.05685	2.0
296.06946	1.8
309.08270	1.8
309.11780	4.7
310.08444	5.0
311.09299	93.0
312.09671	7.5
318.94507	1.8
331.81470	1.7
415.23526	2.4
457.24088	1.7
469.49805	1.7
499.29178	5.1
500.13440	2.1
515.15601	64.0
516.15906	7.2
521.33679	4.7
523.34540	3.3
528.75970	2.6
559.24042	26.7
559.31671	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	558.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10533	0.7
58.75741	0.7
61.98837	100.0
66.75378	0.7
69.38103	6.2
78.95918	4.0
101.11593	0.7
107.01415	2.8
108.02180	0.9
109.02961	4.9
119.04999	0.9
121.02924	0.8
123.00909	1.3
136.01697	5.0
137.02457	3.5
162.03214	1.7
165.01961	7.6
166.02737	1.0
167.03502	3.7
273.07980	1.1
276.28812	0.7
279.23343	1.6
295.17010	0.7
315.16324	1.1
476.28024	3.5
495.27594	26.8
496.28094	4.0
498.01855	0.7
558.29425	1.2
559.30463	2.0
580.48895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30924	1.1
53.72774	1.1
54.83678	1.0
55.40987	1.0
59.01384	17.2
60.14423	1.0
61.98833	3.4
69.03454	6.8
71.01402	3.8
71.01785	0.9
71.05021	2.7
71.55113	1.0
80.02699	2.4
81.03454	2.4
83.01421	1.6
83.05042	6.9
90.76638	1.2
93.37939	1.0
95.05045	1.5
96.95987	1.2
97.06610	1.3
101.02480	1.4
123.08207	2.2
125.09752	4.9
137.02328	1.1
148.82166	1.1
151.11249	4.8
153.12859	1.8
161.09740	8.0
163.11316	3.7
165.05630	1.2
165.12825	3.3
179.10796	24.7
180.11160	1.5
185.11824	2.0
197.11847	75.1
198.12198	2.5
209.11844	60.1
210.12196	2.4
223.09703	2.6
227.12894	7.4
232.10876	1.2
241.10811	9.8
264.76083	1.2
296.03268	1.3
297.13501	4.2
315.14554	14.8
330.51630	1.2
499.10568	1.2
507.25769	1.5
525.27106	100.0
526.27594	9.3
557.13794	2.6
557.29742	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	557.296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48566	0.3
55.01870	0.3
57.03458	1.2
59.01385	100.0
60.01737	0.5
61.98832	1.4
63.92913	0.3
69.03466	1.0
71.01386	4.1
71.55254	0.4
71.55623	0.3
72.99319	0.4
73.02952	2.2
75.00879	0.5
77.54937	0.3
81.03468	0.3
82.95423	0.4
83.01395	1.0
85.02948	1.5
87.00905	0.8
89.02446	2.5
93.03492	0.5
95.01392	0.4
95.05047	0.4
96.96019	4.7
97.06654	0.3
98.95602	0.3
99.00916	0.9
99.04557	1.1
99.92605	0.4
101.02458	3.3
103.66637	0.3
107.05050	0.5
108.02232	0.4
108.80785	0.2
109.02258	0.3
110.29284	0.3
111.66647	0.2
113.02458	2.9
114.05589	1.3
115.03996	0.4
115.92081	0.4
116.92867	2.3
117.05613	0.3
119.03532	0.8
120.53684	0.2
121.02999	1.2
122.03763	1.2
122.06173	0.4
125.02446	1.3
131.03514	0.4
137.02499	0.5
143.03577	0.6
149.04601	0.7
154.01570	0.3
161.04578	1.4
165.05580	0.3
171.08211	0.7
175.07634	0.3
185.00989	0.7
193.94746	0.3
213.09245	6.1
213.11156	0.4
233.06795	0.3
239.07249	0.8
240.40970	0.3
249.52313	0.3
251.16605	0.8
293.08783	2.0
301.01065	0.3
325.19797	0.3
374.78220	0.3
392.09381	0.4
407.11542	1.9
437.12613	0.4
453.25854	0.4
497.27908	0.9
521.33319	0.5
527.15668	0.6
557.14514	0.6
557.30548	3.2
558.19867	4.5
558.29413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20368	0.3
57.03435	0.5
59.01386	3.9
71.01389	1.4
73.02955	1.1
78.95904	0.8
79.95741	2.7
83.67910	0.4
85.02957	1.1
87.00875	0.5
89.02460	1.2
96.96020	100.0
98.19902	0.6
101.02460	1.3
104.02581	0.3
105.25603	0.3
113.02452	0.7
113.92567	0.4
114.93417	1.1
116.92896	0.7
117.05603	0.9
119.03465	0.4
119.05024	0.4
126.56176	0.3
134.03755	2.0
160.01656	0.6
161.04573	0.5
175.03987	0.7
193.05083	1.5
219.13882	0.6
222.13010	0.3
232.51828	0.4
275.75961	0.4
381.14139	1.1
407.37958	0.4
515.39557	0.4
521.33319	1.8
557.18829	1.5
557.31390	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	557.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	20.4
59.01383	34.6
61.98830	6.7
70.10185	5.7
70.10569	7.4
71.01372	5.8
73.02930	3.6
75.00885	2.9
76.92576	2.4
85.02948	3.9
95.01373	3.0
101.02438	3.7
108.02195	6.8
111.19911	2.5
111.39677	3.0
121.02934	12.0
130.04309	5.5
135.00861	7.9
136.01633	4.1
145.02960	15.8
147.04538	27.1
159.97215	2.8
163.00343	7.7
167.03520	3.8
168.14468	2.3
175.03955	6.4
187.07655	29.9
191.03513	7.8
199.07651	7.7
205.85143	3.1
213.09222	4.9
217.05083	7.4
221.09778	14.5
235.07607	13.9
236.08377	11.5
249.09291	16.7
251.10837	26.3
261.12766	14.6
263.14413	3.2
265.08707	15.4
268.07126	2.9
268.66681	2.8
275.10864	22.1
276.11295	4.2
291.13937	96.0
292.14301	9.3
293.08401	6.7
305.11847	20.6
307.13306	8.8
309.15002	9.2
323.12900	58.6
324.13495	5.4
327.63699	2.8
335.12863	11.8
351.12280	4.6
353.09595	4.8
353.13965	100.0
354.14325	8.8
455.26175	2.9
524.22821	3.3
557.17493	3.9
557.25739	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	557.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
55.92756	0.7
57.03458	4.1
58.00591	1.5
59.01386	40.4
59.51197	0.8
69.03468	1.2
69.98994	1.3
69.99406	2.6
71.01391	22.3
72.99311	2.2
73.02944	2.7
77.45512	0.8
79.95739	2.4
82.95457	1.0
83.01389	1.5
85.02961	5.5
87.00879	2.2
89.02457	15.4
95.01409	2.5
96.96023	69.7
98.20622	1.8
99.00895	2.2
99.04527	3.8
101.02460	13.1
108.02189	0.9
109.02950	1.1
113.02463	7.1
115.92057	1.5
116.92889	4.6
119.03521	4.7
119.05005	0.9
121.02942	2.5
122.03754	1.8
123.00893	6.6
125.02441	1.7
129.07094	1.3
130.04250	1.4
132.73589	0.9
133.02962	1.3
134.03746	1.1
138.03265	1.1
145.03046	0.8
148.01703	9.3
149.02499	1.2
157.06593	1.6
159.04454	2.5
161.02409	4.3
161.04491	1.2
162.03242	15.0
163.04041	7.7
163.07657	9.5
173.06084	19.0
174.06488	0.8
175.03894	0.8
176.01193	2.0
177.01881	0.9
177.05569	1.6
187.03940	1.5
187.07687	1.3
188.04639	1.0
189.01942	3.7
189.05534	1.3
191.03433	0.8
191.07167	9.9
201.05547	3.4
203.07091	1.0
213.05702	1.6
215.07158	1.5
216.04260	2.2
217.05023	3.6
225.63200	0.9
231.06622	2.2
288.49435	0.9
317.08344	1.0
337.07269	1.3
341.93195	1.0
345.07739	1.7
353.12399	14.5
362.07898	3.5
363.08737	1.0
363.67593	0.9
364.09448	1.3
365.65952	1.0
377.10309	12.5
379.11807	2.6
380.09027	2.2
394.10672	1.9
395.11343	11.7
437.12311	1.0
521.33722	1.1
525.14252	1.1
542.14429	2.5
557.16675	100.0
557.30621	4.6
558.17035	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	555.2846
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01357	0.8
59.98698	0.5
63.96233	1.1
64.03011	0.5
65.79510	0.6
69.03452	1.0
70.77616	0.9
70.77952	1.0
71.01389	6.4
73.02966	1.3
78.98595	6.6
79.95744	11.2
80.96526	72.3
81.03483	0.8
83.34497	0.6
85.02957	2.9
87.00893	4.0
94.98096	17.2
96.47752	0.5
96.96014	1.4
97.02937	1.4
99.00885	0.6
101.02456	2.9
106.98096	4.4
110.28642	0.5
111.32401	0.5
122.97528	2.7
125.02460	3.4
127.04026	1.3
134.97598	5.5
136.99164	1.8
148.99138	6.2
152.98657	6.3
164.98643	15.8
167.00307	0.7
206.99709	2.3
225.00761	19.8
226.01189	0.7
255.23372	2.1
299.04309	3.5
346.60962	0.6
532.80505	0.7
555.28436	100.0
556.28833	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	555.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05603	0.5
54.45164	0.6
59.01390	1.1
61.28745	0.5
63.96250	1.0
67.12896	0.6
71.01397	7.1
73.02957	2.0
78.98600	6.4
79.95747	11.0
80.96526	68.9
81.03444	1.1
85.02955	3.0
87.00892	3.2
94.98100	15.3
96.96037	1.5
97.02980	1.4
98.63554	0.5
99.00878	0.6
101.02454	2.3
106.98069	2.9
109.76684	0.5
122.97589	2.8
125.02457	3.6
127.04021	1.0
134.97621	5.0
136.99139	1.4
148.99153	6.1
152.98648	5.9
164.98642	13.7
206.99739	3.3
211.89438	0.5
225.00769	16.7
227.18584	0.5
255.23337	2.1
299.04507	2.1
555.28448	100.0
556.28711	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	555.2606
Annotation	Roridin E acetate
Peak:m/z	Relative Intensity
58.94954	0.4
59.01392	1.6
61.98837	0.8
69.66042	2.3
71.01368	0.6
81.03502	0.6
85.02988	0.5
93.03478	1.0
96.95980	0.5
98.20599	0.9
107.05042	6.0
109.06577	0.4
121.02887	0.5
121.64131	0.4
122.03772	0.8
135.04543	17.4
136.05301	0.5
147.04614	0.6
149.02446	0.9
149.06033	0.7
171.08205	0.8
175.07681	0.9
177.12807	3.2
189.09267	3.6
190.09500	0.5
211.07706	0.6
212.08432	2.1
213.09254	2.9
225.09236	12.6
225.11395	0.8
225.68915	0.4
226.10007	10.1
227.10715	3.1
237.09247	1.8
238.09978	0.8
239.10918	2.1
258.16284	1.2
261.12741	0.5
265.12485	0.8
267.13971	1.0
277.36429	0.4
279.13931	2.4
302.54224	0.4
305.19180	0.5
323.12964	0.9
325.14105	0.5
347.20074	0.4
349.21738	80.8
350.22049	5.7
375.19717	6.0
393.20795	2.4
459.24979	0.4
555.25995	100.0
556.26349	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	555.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30217	2.5
55.01878	3.6
55.53534	2.6
59.01381	38.5
60.98792	3.0
61.98825	4.6
71.01015	5.4
71.01389	85.8
71.93977	3.0
72.99314	18.5
73.02955	17.2
75.00874	7.3
83.01358	6.5
85.02957	21.8
87.00872	9.3
89.02452	29.5
95.01400	3.5
96.96014	32.7
97.19960	2.8
98.56485	2.8
99.00880	8.0
101.02455	27.1
107.05008	3.4
113.02465	15.9
119.03516	4.5
125.02377	5.7
131.03412	2.9
135.04488	4.8
143.03523	3.0
149.04568	4.2
151.00285	4.8
151.07648	7.2
161.04564	3.4
165.05522	4.0
168.66214	3.3
169.08745	16.9
176.32953	3.2
179.05553	3.2
187.09862	3.9
205.07147	2.8
220.23332	3.6
254.21194	2.9
313.13083	26.8
331.13943	10.8
349.12872	3.1
385.55307	3.2
445.17160	100.0
446.17224	7.5
463.18198	43.4
464.18378	4.7
477.19791	69.4
507.19196	5.0
555.23413	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	555.2048
Annotation	Piperaduncin C
Peak:m/z	Relative Intensity
59.01373	3.3
61.98824	2.7
69.27296	1.2
69.89207	2.1
69.89602	1.7
71.01387	5.7
72.99308	3.2
75.00878	7.4
78.95906	2.6
85.01043	1.3
85.38012	0.8
98.19994	1.2
99.00847	1.3
100.98767	1.0
101.02457	1.7
101.57957	0.8
103.00391	5.5
112.98793	3.3
114.98420	2.0
115.00349	3.0
115.02081	1.2
125.09738	1.7
145.03152	1.6
171.01120	1.9
173.02713	1.4
201.02129	2.6
215.60907	1.0
225.09464	1.0
233.04765	13.2
279.23325	19.5
280.23624	16.1
295.17038	1.3
339.16013	1.3
359.23209	0.9
365.15683	9.4
366.15961	1.1
437.14261	2.1
449.12875	1.3
485.12250	1.0
497.12943	2.7
504.31119	3.5
505.31406	8.3
555.20477	100.0
556.20654	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	555.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.8
71.01379	1.2
71.55554	0.5
73.02975	0.4
78.95906	1.1
79.95750	3.4
85.02964	0.5
87.00883	0.5
89.02417	0.3
96.96021	100.0
98.95620	1.1
99.00952	0.5
99.92629	0.4
101.02444	0.3
113.02487	0.4
114.93419	0.7
115.92088	0.7
116.92868	5.1
146.08252	0.8
193.04987	0.4
284.29431	0.3
380.15616	1.2
555.11432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.1
61.98821	1.7
64.57420	0.5
65.33489	0.6
68.99842	1.0
69.52074	0.5
69.57401	3.4
69.63451	0.6
71.01388	5.5
72.99325	1.8
73.02951	1.6
75.00878	5.0
75.02571	0.5
83.01393	1.3
85.01023	5.0
85.02943	2.6
85.06593	0.8
87.00883	1.7
88.70383	0.6
88.98826	2.5
89.02454	2.2
95.01413	0.8
96.96004	4.4
99.00884	2.0
101.02425	2.5
103.00368	1.7
112.98825	6.7
113.02468	4.7
115.00382	1.7
115.02083	1.2
117.01973	1.0
119.03473	0.9
125.02424	1.1
127.02087	2.1
129.01973	0.6
129.03676	2.3
142.99850	0.7
145.01440	13.6
145.02589	0.7
145.03166	1.8
147.04549	0.5
151.03992	0.9
155.05260	0.6
157.01436	1.7
157.03139	1.9
159.03047	0.9
159.51981	0.7
160.51239	0.5
164.07162	2.3
169.03220	1.0
172.55064	0.5
173.06274	2.5
187.02524	0.7
187.04158	1.6
263.05765	0.9
317.64670	0.5
333.06390	2.1
335.07864	1.0
335.11606	11.5
349.13095	3.8
377.12515	3.0
407.10052	1.5
409.07446	0.6
419.13828	0.7
463.12622	1.3
523.14642	2.8
555.17432	100.0
556.17834	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	554.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06674	0.7
59.01388	6.8
61.98829	2.9
69.64046	1.6
69.64460	2.4
71.01385	1.3
71.67376	0.8
73.94610	0.6
75.00863	1.9
77.22094	0.7
78.95905	5.4
81.63287	0.6
87.06447	0.7
93.83778	0.6
96.96006	0.6
100.63127	0.7
103.00375	0.8
114.05054	0.7
115.00365	0.6
115.24276	0.7
118.17286	0.6
125.06136	0.6
144.34691	0.7
152.99640	0.9
160.84172	1.2
168.04321	1.9
193.69820	0.7
233.04718	1.7
242.07986	2.4
277.21713	1.7
279.23322	100.0
280.23642	5.6
281.38425	0.7
297.15158	1.0
365.15372	1.3
453.28580	2.3
504.31030	32.8
505.31442	2.9
554.20789	8.3
554.28259	1.1
555.20410	15.3
555.28204	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09447	0.3
59.01385	21.4
70.92385	0.7
78.95914	17.9
79.06074	0.3
80.96519	1.3
118.19351	0.3
122.98537	0.3
134.17004	0.3
152.99603	2.7
161.02814	0.3
168.04323	2.5
224.06955	7.0
224.35374	0.4
242.07993	1.2
255.23312	100.0
256.23672	4.0
300.85208	0.3
480.30978	56.0
481.31372	4.2
523.29126	0.6
554.27045	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	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22814	0.9
59.01378	3.2
61.98839	6.4
69.33561	3.4
69.33990	4.2
76.56518	1.1
78.95911	21.0
80.96508	1.3
96.96004	1.7
107.05748	0.9
132.39720	0.8
152.99586	2.8
160.84087	0.9
168.04291	4.0
184.01973	0.9
189.73123	1.0
224.06903	8.0
242.07954	1.9
279.23315	100.0
280.23654	6.4
301.10809	2.1
381.99609	1.1
406.21976	0.9
504.31009	75.7
505.31354	5.7
554.27191	3.2
555.28198	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	554.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55567	0.7
57.03471	0.7
59.01374	1.9
69.57334	1.3
69.57743	3.2
71.01384	1.2
72.42035	0.6
85.02970	0.7
88.42872	0.6
89.24467	0.7
94.06626	3.9
96.96018	16.0
106.06650	0.7
106.41319	0.7
107.03779	11.7
114.52328	0.7
115.92082	0.9
116.92861	2.5
120.04561	1.9
121.05426	1.1
122.06128	55.6
123.06450	1.9
124.07730	1.3
132.04562	3.2
134.06107	2.0
138.05617	1.8
139.02769	3.5
150.05594	1.2
152.07184	100.0
153.07559	3.3
158.02437	1.2
160.04042	2.1
166.05176	1.1
175.26729	0.8
176.03532	0.8
190.05122	4.8
192.06662	5.3
209.10884	0.9
210.09372	0.8
213.10374	5.8
222.07977	2.1
225.06749	1.9
225.10307	2.5
235.08778	0.7
237.06671	1.6
237.07805	1.0
237.10347	19.9
237.12729	1.5
238.08983	1.7
238.10863	1.0
239.08302	1.8
242.43684	0.7
250.07249	1.1
251.08311	3.7
252.05507	1.1
252.08940	1.2
253.09784	6.4
254.10593	1.5
263.08243	1.4
265.06213	5.8
265.09698	2.8
266.06992	11.6
267.11353	0.8
270.11340	0.8
278.07016	4.7
279.07712	2.5
280.08630	4.4
281.09341	54.0
282.09766	2.9
284.08124	1.5
293.09338	25.6
293.12549	1.5
294.09827	2.8
313.11938	9.8
325.11853	2.4
341.11328	1.9
355.12979	5.1
356.13644	0.9
357.14737	2.6
374.19247	0.9
378.18381	1.6
402.18149	7.0
403.16553	0.7
418.17737	3.0
446.17239	35.8
447.17697	3.3
450.20438	1.2
457.14621	0.8
478.19861	59.4
479.20361	6.4
490.16147	15.3
491.16940	1.0
510.22482	15.1
511.22775	1.1
522.18854	67.1
522.97150	0.8
523.19196	5.8
554.21399	13.9
555.21796	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	554.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50856	1.0
59.01365	3.4
61.98826	2.6
69.41726	2.1
69.42131	6.0
71.01376	1.6
78.79209	1.0
94.06066	1.0
94.06627	5.8
96.96019	6.3
99.73348	1.2
107.03783	14.0
116.92848	1.2
120.04509	1.7
122.06132	69.6
123.06441	1.1
124.07611	1.3
132.04536	2.0
134.06116	2.9
139.02760	4.7
139.03778	1.1
150.05608	1.4
152.07188	100.0
153.07541	2.1
190.05045	1.3
210.07840	1.8
213.10335	3.3
222.07927	1.4
223.06340	1.4
224.05774	1.5
225.06693	2.6
225.10365	1.4
237.06616	3.0
237.10349	10.9
238.07207	2.9
239.08275	1.8
249.06674	1.4
250.07417	1.2
251.04738	1.0
251.08197	5.5
252.08945	2.2
253.09839	8.1
263.08218	2.3
265.06174	9.1
265.09744	4.0
266.06958	16.1
267.07608	1.2
277.06186	2.5
278.06894	7.7
279.07755	2.8
280.08530	6.5
281.09341	90.4
282.09634	4.5
293.09332	46.9
293.20279	1.0
294.09799	5.5
313.11917	10.7
325.11957	1.6
355.12805	2.0
368.35840	1.1
378.17731	1.4
399.50043	1.1
402.18216	4.6
418.17758	4.6
421.11261	1.1
446.17245	92.8
447.17441	8.8
450.20645	1.3
478.19864	37.8
479.20374	2.7
490.16214	45.1
491.16519	4.2
510.22043	1.1
522.18835	81.8
523.19006	7.4
554.20972	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10234	2.6
57.03393	2.0
69.03463	9.1
71.01376	3.4
71.54870	4.0
88.78088	2.3
129.42665	2.8
134.69772	2.6
151.11287	6.2
161.09747	15.1
179.10797	36.9
197.10011	4.4
197.11847	87.9
223.09776	7.1
241.10802	15.7
246.89067	2.7
255.23325	95.3
256.23523	3.3
278.88992	2.5
297.13361	9.0
303.11722	2.5
315.14505	16.4
456.59009	2.9
553.37506	100.0
554.37811	11.4
569.61792	2.7
569.77106	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12693	1.6
57.03439	3.9
59.01385	91.8
60.01716	2.3
61.98836	100.0
70.41798	3.4
70.42195	3.5
71.01386	20.8
71.05014	1.8
72.99313	2.2
73.02945	25.9
83.01387	5.5
85.02965	6.8
87.00867	2.3
89.02444	10.8
96.96024	5.8
99.00896	1.7
101.02458	26.1
110.02509	4.3
113.01749	1.3
113.02436	10.0
119.03500	5.4
125.02481	2.1
131.03537	4.0
134.03754	2.0
149.04552	5.1
151.00357	2.3
151.23106	1.9
160.01575	3.2
161.04539	8.5
165.05571	1.9
167.10779	2.5
173.08124	1.7
175.03981	4.3
214.52730	1.7
221.06532	1.8
284.96014	1.7
447.22360	22.4
518.15948	2.8
553.32422	5.4
554.21356	2.4
554.32898	11.6
555.22437	1.8
555.33191	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92428	0.4
55.01872	1.3
57.03447	1.8
58.00599	1.3
58.01840	0.5
59.01385	21.1
60.99282	0.5
61.98840	0.9
69.03469	0.7
69.30015	4.3
71.01387	13.5
72.99317	1.6
73.02952	19.3
74.10789	0.4
75.00887	1.1
83.01397	1.8
84.60819	0.4
85.02955	6.1
87.00891	1.9
87.04518	0.7
88.98820	3.3
89.02454	6.9
95.01414	0.9
96.96014	1.7
98.19861	0.9
99.00898	2.8
100.01671	1.2
101.02451	10.5
101.34335	0.5
104.21343	0.5
111.00899	2.8
113.02463	6.4
119.03532	2.4
125.02513	0.6
128.01160	1.1
134.03731	0.4
149.04572	0.6
149.06067	0.5
149.09738	0.6
152.01189	0.4
155.10783	0.8
156.00670	8.7
158.13348	0.4
159.02962	0.7
161.04590	1.1
165.04129	1.1
165.05464	0.9
187.13454	0.5
201.15002	0.5
223.06175	0.7
249.06174	0.8
275.52283	0.5
281.82962	0.5
287.16666	0.7
316.50711	0.5
317.23398	3.0
329.23639	0.6
345.26340	2.1
373.26025	1.4
375.27280	0.6
391.26987	1.7
449.27478	1.1
479.28625	3.7
535.31104	1.5
553.32385	100.0
554.32715	8.3
557.59747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.9
59.01387	66.1
61.98828	9.4
69.31269	3.6
69.31616	24.1
71.01387	19.0
71.05066	4.2
73.02954	6.1
83.01401	2.7
85.02970	7.2
89.02476	13.4
95.01366	3.3
96.96033	4.6
101.02463	11.2
102.50046	2.6
113.02464	8.5
119.03496	7.5
119.05048	4.4
121.02966	19.6
121.14879	2.6
123.00878	4.3
124.01629	7.6
125.02470	14.4
135.04579	3.4
137.02400	5.2
139.07683	3.7
143.03438	3.2
150.03241	11.9
161.02516	4.4
165.05540	4.3
179.05641	3.7
187.07660	4.5
197.02191	3.8
207.10280	10.7
209.11777	3.5
219.02740	2.9
237.09158	12.2
239.10695	3.1
241.12408	7.5
253.12334	7.2
278.12854	3.6
293.15515	25.8
309.14960	9.9
311.16559	31.2
318.50818	3.0
325.03445	3.7
325.14331	3.2
337.14560	27.6
340.05960	3.1
355.15527	100.0
356.15897	8.0
401.12564	3.8
521.15845	2.9
538.15027	4.4
553.17084	44.0
553.30145	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	553.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65401	0.6
59.01384	100.0
61.98834	3.9
65.44198	0.5
65.74282	0.5
69.49245	2.2
69.49672	2.1
70.97179	0.6
76.13567	0.6
79.95760	0.8
93.03486	1.0
96.96025	2.7
96.96901	0.6
107.98427	0.7
108.02212	1.5
116.92849	0.7
135.04544	0.7
161.02505	0.9
162.83932	1.5
210.27827	0.7
211.07742	0.7
212.08470	4.5
219.06700	0.7
225.09299	1.0
227.10820	6.4
240.04211	0.6
241.12445	1.1
247.05656	0.9
253.08812	1.8
254.05965	1.5
255.10257	2.8
257.08273	2.4
268.03769	0.6
269.08377	1.2
277.21906	1.0
281.08261	3.7
283.06213	3.4
283.10022	0.6
299.09238	5.1
300.09653	0.6
301.11032	1.2
440.04352	0.6
506.32932	0.7
553.27875	10.8
554.21051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	10.9
59.01382	5.8
61.98833	2.3
65.68674	0.4
66.83340	0.4
69.24810	1.0
69.25221	3.3
70.69867	0.5
71.01379	0.8
71.05028	0.5
81.03492	0.5
83.01403	1.1
89.02488	0.8
90.52273	0.5
92.43987	0.4
95.01386	0.9
96.96026	1.1
101.02472	0.9
105.03500	0.5
109.02959	2.1
121.02936	0.7
123.00906	2.0
124.01686	6.1
125.02464	58.0
126.02806	1.5
133.03000	0.8
136.01682	10.0
137.02477	3.8
138.03268	0.8
139.04045	1.5
149.02478	2.7
150.03241	26.3
151.03972	2.0
161.02463	2.2
163.04004	0.5
165.01979	0.9
165.05585	7.3
172.93372	0.4
177.01990	1.2
189.01952	3.3
197.06071	0.8
205.01468	0.7
207.03056	0.6
212.04994	0.5
219.02983	0.4
220.03804	4.9
224.04865	0.5
225.05609	1.5
233.04578	0.7
237.05579	0.6
239.03426	1.0
240.04214	1.0
241.05115	1.8
241.12473	0.5
243.06519	0.5
251.03539	0.8
253.05089	1.8
255.03033	1.0
267.03012	2.3
268.03885	1.1
269.04672	2.2
279.03091	1.6
280.03589	1.0
281.04581	1.6
282.01877	0.6
283.06235	1.2
284.03378	0.5
285.03806	0.6
291.02780	0.5
293.04599	0.7
293.15533	0.9
295.02811	0.9
295.05966	0.5
296.03235	1.4
297.04108	4.2
298.01370	0.6
299.05762	0.8
306.01804	0.7
307.02652	1.3
308.03278	0.8
309.04053	0.9
311.05765	1.2
311.16559	1.3
312.06458	1.2
313.06985	0.5
314.04541	0.6
323.01978	1.4
323.05618	1.0
324.02853	2.5
325.03571	10.4
325.07309	0.6
326.04193	1.2
327.05222	0.8
327.08780	1.5
328.05939	0.6
329.06720	0.8
337.03613	0.7
338.04446	1.3
339.05087	5.1
340.05856	6.8
341.06595	2.7
353.06628	1.4
354.07620	2.4
355.08328	8.1
355.15384	6.2
356.05276	3.0
356.09100	0.6
357.06271	3.0
364.59885	0.5
366.03751	0.7
367.08322	1.1
371.07809	2.3
372.08548	2.5
381.06000	0.6
385.09061	0.9
386.10150	5.8
387.05649	0.8
387.10651	4.5
399.10736	0.6
401.12442	14.8
402.12695	0.9
412.08041	0.6
413.12717	2.3
427.10425	2.7
437.08984	0.5
448.07703	0.7
458.06558	0.6
461.04800	0.9
463.10394	0.9
473.08606	0.7
476.07559	4.8
477.08401	1.7
491.09814	4.2
492.10641	1.0
493.15192	1.3
506.12253	1.7
507.12933	1.7
508.10379	1.1
521.14551	1.4
523.12781	1.4
538.14923	14.5
553.17297	100.0
554.17639	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	553.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79789	0.4
52.39674	0.3
55.82478	0.4
57.03461	0.8
59.01386	4.4
61.98824	0.6
69.34367	2.0
69.34788	1.0
71.01384	1.7
72.99309	0.3
73.02963	0.9
75.00878	0.9
79.95744	3.4
83.01395	0.6
84.90907	0.4
85.02975	1.0
87.00900	0.6
88.71344	0.3
89.02453	0.9
94.02995	0.5
95.01472	0.4
96.96021	100.0
98.16904	0.3
98.19914	0.6
99.00887	0.4
101.02472	1.3
107.03775	0.6
108.02175	0.7
108.04514	0.4
112.11759	0.3
113.02447	1.0
114.93454	0.9
117.03476	1.3
122.06103	1.9
123.04572	0.5
124.04079	1.0
125.33120	0.4
134.06090	0.9
145.02975	0.5
149.04550	1.3
152.07193	3.1
153.07570	0.7
165.05504	0.5
166.86833	0.4
167.03505	0.7
168.03851	0.6
177.04230	0.5
190.02791	0.5
192.06454	0.4
205.05206	0.6
225.09575	0.4
265.09677	0.6
266.33545	0.4
267.11392	0.4
281.09271	0.6
282.05261	0.5
311.05646	0.4
333.14404	0.4
368.99603	0.4
375.27509	0.8
393.24759	0.4
421.24161	0.4
454.65222	0.5
467.63882	0.9
476.64148	3.5
477.14175	2.5
482.64407	0.5
491.65088	2.4
492.14987	1.0
521.17963	0.5
527.65887	0.7
528.16248	0.6
536.66412	2.8
537.16473	1.6
553.33514	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	553.1506
Annotation	Bedaquiline
Peak:m/z	Relative Intensity
59.01390	5.9
60.26483	0.7
61.98847	4.6
69.44984	0.8
69.57777	3.2
69.58199	2.0
75.04882	0.8
96.96021	2.5
97.02927	1.0
107.56880	0.8
108.02198	1.0
110.14065	0.8
121.02937	1.3
133.02966	7.1
148.01694	4.8
155.05060	1.3
161.02408	1.2
167.86647	1.2
171.04547	2.8
172.05188	1.3
176.01178	2.9
182.03741	1.5
183.04523	7.2
184.05164	1.4
185.93823	1.0
195.04498	2.2
198.03207	3.2
199.04010	5.2
200.04739	2.6
201.05441	1.0
211.04016	14.5
212.04791	5.4
215.03461	1.0
222.05276	1.1
223.03999	2.2
224.04729	1.4
226.02802	5.5
227.03513	19.6
228.04254	11.2
238.02751	1.4
239.03519	15.1
240.04300	25.5
241.04713	1.1
243.03075	1.4
254.02283	5.3
255.03001	35.0
255.10284	13.1
256.03738	10.6
267.03052	7.3
268.03796	28.4
269.04071	1.8
272.03250	3.7
282.01715	14.4
283.02499	51.8
284.03275	73.6
285.03516	4.2
295.02509	3.2
296.03299	32.8
297.04065	100.0
298.04831	78.0
299.05624	95.0
300.06009	6.4
305.08109	1.5
308.79910	1.1
324.90866	0.9
471.13141	1.6
473.56705	0.9
480.12714	1.2
481.13147	6.1
493.11053	1.0
517.10852	1.9
553.14404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90121	2.5
59.01385	62.0
59.62524	2.3
61.98832	14.1
71.01382	14.4
71.55173	3.2
72.99321	3.2
73.02962	7.5
75.00866	5.0
83.01405	2.6
85.02975	7.8
87.00884	3.5
89.02446	9.3
93.03465	4.3
96.95354	2.2
96.96015	9.1
99.00903	2.6
101.02496	12.4
110.21931	2.4
113.02479	5.4
121.03033	3.2
123.87136	2.4
137.02405	8.6
149.04526	2.6
163.04036	3.2
165.05670	3.4
177.05577	3.9
193.05061	3.5
209.11838	3.2
210.06873	5.9
233.08257	6.0
239.03488	2.9
253.05107	4.2
254.05859	87.0
269.08224	100.0
270.08588	5.6
295.01794	3.2
312.60635	2.6
351.58780	2.8
374.06396	7.1
417.09702	3.3
474.58737	2.8
510.18533	3.7
524.74158	2.6
553.10352	4.1
553.25867	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	553.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.0
60.99297	8.0
71.01398	11.9
73.02944	6.9
80.05052	4.4
85.02958	6.7
88.98817	60.3
89.02441	7.5
94.21142	1.5
95.01356	1.9
96.96022	4.8
98.95577	3.3
101.02435	7.8
106.14465	2.2
107.01423	1.8
108.02181	7.8
109.02959	2.6
113.02432	4.9
116.02816	1.7
121.02965	2.0
124.04062	3.6
147.40321	1.8
151.00427	8.8
151.04082	2.2
152.01183	17.4
159.02838	1.8
163.00322	2.0
163.97316	1.6
165.05591	3.2
178.99869	4.5
243.02963	5.4
255.03091	13.3
271.02487	34.0
272.03082	2.3
300.02789	74.6
301.03519	34.0
306.03873	2.1
335.16721	2.1
377.18201	4.1
391.23541	2.1
429.10419	2.7
463.08859	100.0
464.09149	6.7
536.14075	1.7
546.65521	2.0
553.24353	4.8
553.31653	18.0
554.15076	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	552.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.0
61.98835	4.5
70.38717	0.4
71.25886	1.2
78.95905	7.0
83.05015	0.5
89.49098	0.4
96.95995	0.7
152.99576	1.3
168.04301	1.6
203.33093	0.5
205.72542	0.5
212.08398	0.5
224.07010	1.2
227.10866	0.8
240.99712	0.5
242.08054	2.8
275.20258	0.5
277.21738	100.0
278.22122	5.7
301.10837	1.8
403.21326	0.5
502.29459	39.8
503.29672	3.2
543.80725	0.6
552.26129	0.9
553.27539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.0
61.98835	9.2
67.28840	0.9
69.21381	5.6
69.21803	2.6
71.01400	2.1
78.59927	0.8
102.03477	1.1
108.08214	2.0
113.02396	0.9
121.05350	14.2
122.09773	2.2
124.01644	1.0
132.04572	42.0
134.06117	4.4
136.07701	100.0
137.08063	1.9
138.50462	0.8
148.07751	1.2
150.05603	1.7
150.09267	1.4
153.04297	2.0
158.02480	2.3
160.04071	4.8
162.05646	2.2
164.07204	2.6
176.03555	15.9
181.07457	1.9
190.05118	8.7
191.05917	6.6
236.09627	1.8
239.08275	3.2
251.08221	1.2
251.11931	4.3
263.02524	0.8
268.03537	1.6
269.04099	1.1
279.07709	2.2
280.08524	2.0
280.11606	0.8
281.09549	0.8
281.12875	4.1
293.09421	1.0
295.10931	3.3
296.11536	3.9
297.12326	2.6
307.11017	1.3
309.12268	1.2
311.13995	1.2
312.14551	0.9
314.12778	1.3
325.11945	44.0
326.12192	2.9
327.13370	1.3
339.13507	13.9
340.14294	26.0
341.14780	2.3
349.55972	0.9
372.13272	31.8
373.13553	2.4
376.20627	0.9
388.16595	4.1
400.20581	2.1
402.18396	1.0
429.17017	1.5
444.19241	3.2
476.21918	14.4
477.22086	1.1
488.17819	1.1
504.67917	0.9
508.24579	29.3
509.24722	2.9
520.20935	10.3
552.23511	26.5
553.23871	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	551.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80033	0.6
53.57542	0.5
59.01388	14.2
61.98820	1.7
71.01415	3.7
72.99318	0.6
85.02986	0.7
89.02451	2.3
96.95972	0.7
101.02472	3.5
111.04502	0.7
112.98618	0.6
113.02440	1.9
119.03512	0.8
161.04605	0.9
167.03465	0.7
172.60774	0.7
226.09935	0.8
235.08168	2.7
241.12437	1.2
253.09348	13.8
255.23322	100.0
256.23633	5.9
313.10495	0.7
315.12506	1.7
330.01801	0.7
347.20184	2.7
351.04752	0.6
373.21692	4.0
399.19785	0.6
533.23090	1.4
551.31152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98828	59.5
64.86347	10.2
68.19888	10.3
69.25689	48.9
69.26126	52.5
72.99306	14.3
73.23476	10.9
73.57831	10.6
96.96020	20.8
107.04990	14.1
114.46150	11.7
135.04501	33.1
183.47954	11.6
184.40392	11.5
185.46909	13.5
192.60466	11.3
212.79434	11.0
226.09964	24.8
227.10800	14.5
232.06773	12.7
241.12352	25.9
313.10815	17.4
551.29980	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17905	6.0
59.01384	100.0
59.01661	10.4
61.98841	40.8
68.33855	5.4
69.03493	5.8
70.55473	5.4
70.55811	14.9
81.84752	5.9
87.35991	5.7
88.98814	5.4
91.60725	5.7
92.16347	6.0
96.96032	8.5
108.02213	7.5
118.67493	5.6
157.06651	5.9
175.07660	7.4
212.08421	9.0
214.00706	6.3
225.09200	7.6
227.10822	30.2
241.12415	9.5
255.10120	6.5
271.09781	12.0
279.23212	17.3
280.23688	5.5
297.07629	7.7
299.09290	25.6
313.10751	7.8
348.99185	7.9
408.13388	6.1
413.52994	6.1
420.86581	6.6
537.15558	6.7
551.26917	16.9
551.30457	20.1
554.60327	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	551.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98829	5.3
70.91131	1.9
71.01384	27.3
71.54500	1.8
72.99288	4.1
73.02960	10.7
75.00874	6.9
81.29333	1.6
83.01395	2.3
85.02949	11.9
87.00861	3.7
88.98829	2.0
89.02454	11.6
94.64136	1.8
95.01405	2.2
96.95965	9.0
99.00888	5.3
101.02460	14.1
101.42178	1.9
109.02957	1.9
110.44357	1.7
113.02467	11.1
115.00397	3.2
119.03504	2.1
122.66570	1.9
125.02464	2.6
125.09753	2.3
127.71011	1.9
135.02957	3.2
136.07681	3.3
149.02505	2.3
149.04552	6.7
149.06013	2.7
161.04552	3.8
165.05539	2.0
167.03514	2.9
168.22958	1.7
187.09749	5.2
197.88124	2.0
209.15410	3.2
215.12946	3.6
223.00273	2.2
249.06099	4.4
253.14487	3.7
257.08173	4.0
257.13004	10.0
282.05518	2.0
301.11874	4.5
310.07855	2.2
312.85242	2.0
347.18506	4.6
373.26266	2.9
419.22845	3.1
433.20963	4.2
465.26871	3.5
489.26740	3.5
491.32230	5.1
507.28070	60.2
508.27966	4.9
509.33704	2.8
551.17731	3.7
551.24640	6.9
551.30768	16.1
551.76453	3.3
570.44415	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	551.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.0
59.01385	100.0
60.01717	2.9
61.98833	4.5
69.68137	1.4
71.01388	25.8
71.55655	2.1
73.02956	8.1
75.00867	4.6
80.28845	1.7
83.01389	3.1
85.02956	11.9
87.00859	4.8
88.98767	2.4
89.02480	11.7
95.01383	2.6
96.84531	1.8
96.96020	7.5
99.00875	2.3
99.93374	1.9
101.02450	15.4
108.04524	1.8
113.02448	9.7
119.03535	2.4
123.04549	1.8
124.07709	2.6
125.09750	2.2
129.01930	2.0
131.03575	2.4
135.02980	4.9
136.07681	3.4
143.03435	1.9
149.04541	7.3
149.06117	1.6
159.76495	1.6
161.04568	1.8
174.01645	2.3
187.09789	5.1
209.15445	2.4
215.12898	2.6
220.24696	1.7
241.05151	1.6
249.06041	2.3
253.14427	4.2
257.12909	8.2
264.42383	2.1
301.11887	6.8
315.08658	2.4
347.18506	4.3
373.25668	2.6
405.24756	1.8
419.22617	1.8
433.20419	3.0
447.25925	2.1
489.27036	3.5
491.32144	6.2
507.28049	65.0
508.28439	5.2
551.24365	6.1
551.30701	12.9
551.76086	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	551.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82434	1.3
57.03402	1.3
59.01369	4.3
60.59051	1.4
61.98824	5.3
68.99569	3.4
71.54677	2.2
78.31019	1.3
99.85902	1.3
108.02215	8.7
112.98551	3.6
119.92661	1.4
123.04514	5.1
135.04524	1.3
148.01680	2.7
159.04474	2.4
167.03487	17.8
173.06151	1.6
176.25891	1.3
177.12875	2.1
179.08690	2.3
191.03430	3.1
194.37790	1.3
210.06757	1.8
211.07704	2.4
223.07651	21.2
224.08275	4.8
225.09193	3.3
235.07616	7.8
236.08319	5.1
237.09169	4.1
248.08498	1.9
249.09204	12.4
250.09859	2.9
253.09422	1.6
255.23299	5.1
261.09213	4.8
289.12363	3.8
347.20166	100.0
348.20566	8.8
359.20200	6.8
371.19952	2.3
373.21738	66.6
374.22009	5.6
387.19537	2.9
396.13983	1.5
505.23785	1.7
507.35208	6.5
509.23724	2.0
533.23309	14.5
534.23596	1.6
551.23743	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	551.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06819	1.1
59.01371	4.6
61.98835	1.3
69.46195	3.2
69.46628	5.6
80.26618	1.3
96.96035	1.5
102.53946	1.4
102.68466	1.1
107.05064	1.4
108.02187	9.2
121.02867	1.7
123.04520	4.0
135.00911	1.5
135.04558	1.9
148.01672	3.5
151.04004	1.6
158.03825	1.5
159.04501	3.1
160.84218	10.0
167.03505	14.5
173.06172	3.1
176.01170	1.7
177.12816	1.9
179.08781	2.0
191.03517	4.7
209.06053	5.6
211.07735	2.7
213.09206	2.2
215.59492	1.3
223.07658	15.3
224.08276	3.5
225.09203	4.1
226.09911	2.6
227.10768	1.6
235.07700	12.9
236.08411	6.4
237.09206	4.1
238.09906	1.5
241.12285	4.7
247.07635	1.9
249.09221	17.6
250.09904	5.1
253.12413	2.9
259.07675	1.6
261.09174	4.8
271.13638	1.4
289.12265	4.7
303.13843	2.3
313.12503	1.8
315.12399	15.4
347.20178	71.6
348.20474	5.5
359.20306	6.8
371.20221	1.8
373.21750	100.0
374.22040	5.1
387.19595	2.1
505.23654	2.1
507.34647	1.9
509.23169	2.8
533.23254	24.5
533.30188	2.3
551.23956	16.5
552.24207	2.2
558.09058	1.3
568.98535	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37175	1.4
55.01433	1.4
55.01887	1.7
57.03447	3.6
59.01387	96.6
61.98815	3.7
69.34695	6.4
69.35119	6.5
71.01391	34.5
72.99313	4.6
73.02956	8.9
75.00858	8.1
75.12377	1.7
77.80920	1.5
83.01379	4.3
85.02964	17.4
87.00883	3.9
89.02455	27.1
95.01411	2.7
96.96027	5.9
99.00898	6.6
101.02447	22.7
106.06636	3.3
108.04574	15.0
111.00940	1.8
113.02452	15.7
115.00304	1.8
115.04039	1.9
119.03478	5.6
122.06155	2.4
123.08117	1.9
124.07677	9.9
125.02384	1.9
125.09719	1.7
131.03462	2.3
135.03011	2.2
136.07693	33.5
137.02486	1.7
145.02928	2.0
149.04558	6.0
150.05598	3.2
157.73549	1.6
161.04607	4.6
165.05496	1.9
174.01657	2.8
183.13812	1.7
185.11819	1.8
187.09718	5.1
191.14412	5.1
209.15460	37.6
210.15822	2.4
214.12479	1.9
215.12852	4.1
235.13414	2.8
239.11810	1.9
249.06160	20.4
253.12042	2.6
253.14485	39.2
257.12982	100.0
258.13177	5.7
285.04285	3.2
300.06369	3.8
301.11938	59.3
302.12143	3.2
315.08749	6.0
343.26300	1.7
347.18567	3.6
371.17200	2.8
419.22632	3.2
433.20688	24.0
447.25494	2.4
460.58554	1.8
465.26874	2.4
489.26984	3.1
491.32187	3.9
507.28146	44.9
509.33914	2.3
551.24329	41.4
551.30890	12.5
551.76172	11.4
552.24731	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	551.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.3
57.03453	4.5
59.01387	35.4
60.51448	0.8
68.99809	1.4
69.03433	1.7
69.28290	6.2
71.01386	24.3
72.99299	4.9
73.02948	3.7
75.00879	18.4
83.01387	2.2
85.02958	26.7
85.67118	0.9
87.00876	8.0
89.02462	7.7
91.04011	0.9
95.01383	5.8
96.96023	2.1
98.20724	1.6
99.00893	9.8
101.02461	4.5
103.00375	1.8
108.02180	1.0
110.53922	0.9
111.00878	1.1
111.08165	1.3
113.02457	31.4
115.00375	1.5
117.01933	1.9
129.01918	1.5
131.03442	1.4
147.03035	0.9
149.02457	0.8
149.04579	2.3
150.03078	0.9
152.07195	1.2
157.01404	1.5
161.04602	1.1
165.12874	14.7
167.03508	2.6
175.02534	1.9
183.13921	41.2
193.05063	1.1
205.07225	0.9
207.05162	1.2
209.11852	1.2
223.06108	1.9
227.12831	4.0
249.06168	17.6
249.10086	1.0
267.07227	48.0
268.07458	1.1
301.16547	3.4
331.34613	0.8
415.19547	2.7
433.60858	0.9
447.25543	0.9
459.18881	1.0
477.20178	1.8
491.32343	1.8
507.28036	17.0
508.28339	1.3
519.19928	1.0
533.22266	1.6
551.23456	100.0
551.30115	5.1
552.23962	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	551.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.3
57.03453	4.5
59.01387	35.4
60.51448	0.8
68.99809	1.4
69.03433	1.7
69.28290	6.2
71.01386	24.3
72.99299	4.9
73.02948	3.7
75.00879	18.4
83.01387	2.2
85.02958	26.7
85.67118	0.9
87.00876	8.0
89.02462	7.7
91.04011	0.9
95.01383	5.8
96.96023	2.1
98.20724	1.6
99.00893	9.8
101.02461	4.5
103.00375	1.8
108.02180	1.0
110.53922	0.9
111.00878	1.1
111.08165	1.3
113.02457	31.4
115.00375	1.5
117.01933	1.9
129.01918	1.5
131.03442	1.4
147.03035	0.9
149.02457	0.8
149.04579	2.3
150.03078	0.9
152.07195	1.2
157.01404	1.5
161.04602	1.1
165.12874	14.7
167.03508	2.6
175.02534	1.9
183.13921	41.2
193.05063	1.1
205.07225	0.9
207.05162	1.2
209.11852	1.2
223.06108	1.9
227.12831	4.0
249.06168	17.6
249.10086	1.0
267.07227	48.0
268.07458	1.1
301.16547	3.4
331.34613	0.8
415.19547	2.7
433.60858	0.9
447.25543	0.9
459.18881	1.0
477.20178	1.8
491.32343	1.8
507.28036	17.0
508.28339	1.3
519.19928	1.0
533.22266	1.6
551.23456	100.0
551.30115	5.1
552.23962	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	551.1985
Annotation	Trivalvone
Peak:m/z	Relative Intensity
55.01870	3.8
57.03431	6.2
58.00591	3.3
59.01386	86.7
61.98814	5.9
63.57514	1.3
67.05529	1.4
69.03436	1.5
71.01389	52.3
71.55142	2.3
71.92502	1.4
72.99291	4.5
73.02946	7.2
75.00877	8.3
83.01373	5.0
85.02963	13.1
85.32269	1.6
87.00904	9.6
89.02457	53.1
92.46442	1.5
95.01395	2.8
96.96003	2.6
97.02944	3.1
99.00845	4.3
99.04546	9.1
101.02455	32.4
105.01945	8.3
111.04541	1.9
113.02475	19.6
119.03500	18.7
123.00866	2.2
124.05272	2.0
125.02377	1.9
128.33633	1.5
129.01933	2.4
131.03490	1.7
134.03694	3.1
135.02956	2.8
135.11772	5.1
137.02411	1.6
143.03430	4.4
145.05040	5.3
147.02994	6.7
149.04535	4.8
150.03160	4.1
160.01654	2.1
161.04562	7.4
161.09694	4.0
165.01945	2.6
165.04092	24.6
165.05447	3.6
169.32491	1.4
178.02618	1.9
178.75684	1.9
179.05630	14.0
179.10800	41.4
185.70740	1.4
193.04967	5.9
195.06633	2.7
209.11771	2.6
223.09785	53.0
224.10152	2.1
225.07686	1.5
235.05954	1.7
284.85501	1.5
347.11133	3.3
371.13675	1.6
371.17181	14.9
389.21548	2.0
403.16165	25.8
551.19586	100.0
552.19696	8.8
568.57440	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1776
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.28504	0.4
55.01885	0.6
57.03464	0.5
57.04707	0.4
59.01387	15.9
63.02399	1.0
69.03455	1.2
69.42785	2.5
71.01385	13.1
72.99313	0.9
73.02959	2.9
81.03469	2.8
83.01395	1.8
85.02975	2.1
87.00873	0.6
89.02451	12.3
91.01901	7.5
95.01405	0.8
96.96021	0.5
97.02975	2.3
97.40516	0.4
99.00890	3.1
101.02446	3.6
108.02155	0.7
113.02453	1.9
115.04031	1.5
119.03546	0.5
122.03742	12.5
125.02463	4.2
126.89667	0.5
136.01738	0.8
137.02467	1.3
143.03482	0.5
149.02536	0.5
149.04570	0.7
150.03246	0.8
153.01974	0.6
161.04456	0.6
164.04868	0.6
165.05591	0.9
169.06593	4.6
169.10223	1.8
171.08174	6.1
171.10286	0.5
195.06601	0.7
195.08165	1.5
209.23151	0.4
211.07648	0.5
213.09229	56.6
214.09569	2.1
215.12831	2.1
223.06134	1.7
226.74580	0.5
233.06731	1.8
239.07152	30.0
240.07520	1.2
257.08209	10.0
347.11237	0.8
373.26135	0.6
507.28217	0.8
551.17731	100.0
551.30096	6.1
552.18018	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	551.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12540	1.5
57.03450	6.0
59.01386	5.4
62.60136	1.7
66.13931	1.5
69.99509	2.8
69.99899	4.1
71.01379	4.5
83.01414	1.4
85.02966	17.1
87.00893	11.4
89.02457	2.8
108.15968	1.5
111.00881	3.7
120.23479	1.7
129.01950	16.5
141.01921	1.5
159.02995	4.4
168.54288	1.6
176.87775	1.5
186.14038	1.5
209.06683	100.0
355.37357	1.5
402.72137	1.6
465.06216	1.9
514.42450	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	551.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03445	3.3
59.01387	26.2
60.01708	0.9
61.98827	1.4
68.99807	0.6
69.03458	0.6
71.01009	1.1
71.01391	16.5
72.99310	1.5
73.02956	7.6
75.00877	1.7
81.03460	2.1
83.01399	2.2
83.05045	0.7
85.02962	5.9
87.00887	1.4
88.98809	0.8
89.02454	9.6
89.41164	0.6
91.01897	2.1
93.03460	1.6
95.01383	1.7
96.96034	1.6
97.02962	0.7
99.00892	3.2
99.04543	1.7
101.02460	10.0
104.24229	0.5
108.02186	1.2
109.02960	0.5
111.00903	0.8
113.02455	5.4
114.05672	0.6
119.03519	2.0
120.78944	0.5
121.02937	1.4
122.03760	16.8
123.00900	0.6
123.08199	0.9
124.01712	0.7
125.02454	2.6
131.03481	1.4
133.02954	1.2
134.03679	0.8
135.03026	1.0
137.02457	2.4
143.03452	1.2
145.02945	1.2
149.02505	5.0
149.04535	3.5
150.03256	4.5
151.03984	2.4
152.01228	1.2
155.10825	0.6
155.43796	0.7
159.02888	0.7
161.02466	3.7
161.04582	1.4
163.04018	1.0
164.04756	2.4
165.01973	0.6
165.05602	5.9
166.05055	1.0
169.06581	2.3
169.10297	1.6
171.08176	7.0
171.10301	0.7
178.02739	1.4
179.05620	0.7
179.07108	0.6
180.04358	0.7
181.05054	1.7
184.06183	0.8
186.90100	0.6
189.03937	0.7
190.04958	0.5
191.05637	0.7
193.01445	1.4
193.05107	2.6
195.06648	2.2
204.94943	0.6
208.03813	2.2
208.33780	0.6
211.07692	1.2
213.09230	100.0
214.09567	4.2
215.12904	0.8
223.06117	6.4
224.06351	0.7
226.51450	0.6
239.07162	13.8
240.07478	0.8
245.29681	0.6
257.08234	5.1
283.02438	0.7
311.22379	0.7
371.24261	0.8
373.25888	1.4
389.25388	1.4
403.14676	0.6
403.19760	0.8
403.34985	0.7
419.13959	4.9
419.23230	1.0
491.21219	1.9
491.27963	1.3
507.20511	0.8
533.30170	0.9
551.17755	85.3
551.30859	51.8
552.18079	9.4
552.31500	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	551.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54150	1.4
59.01379	4.7
59.05105	1.2
59.19108	1.2
59.66848	1.2
59.82615	1.2
61.98842	7.3
66.92257	1.2
69.42583	2.3
69.42988	8.5
71.01390	2.0
75.00887	1.5
79.12605	1.2
81.03496	2.2
83.01407	2.2
85.02962	1.3
89.02448	3.3
96.96037	7.3
96.96553	1.4
97.37165	1.5
98.00245	1.3
98.20620	2.0
123.04540	21.4
125.02445	3.7
149.02399	1.8
151.03949	1.7
163.03862	1.5
167.03510	100.0
168.03870	1.7
175.74306	1.2
181.05014	2.7
191.03514	17.7
202.97783	1.5
209.04584	6.6
329.08804	53.8
330.09235	2.8
353.08688	2.6
426.69202	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	549.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03452	2.1
58.00611	0.7
58.04008	0.4
59.01384	100.0
60.01722	1.9
60.87272	0.4
61.01816	1.1
61.48671	0.4
61.98835	2.4
65.73930	0.4
69.03465	0.8
69.26959	3.8
71.01385	15.1
72.01722	0.4
72.99318	0.6
73.02950	5.6
75.00890	1.2
83.01386	4.0
85.02956	7.9
86.00112	0.5
86.03280	0.7
87.00883	1.9
89.02445	2.2
95.01421	2.2
96.96031	0.8
97.03008	0.7
98.19839	0.8
99.00890	2.4
99.04537	0.4
101.02453	9.6
102.02777	0.8
111.00886	1.0
113.02473	8.4
119.03510	0.8
125.02467	1.0
129.01982	0.9
137.02509	0.4
143.03508	1.1
159.03104	0.7
161.04576	2.7
162.04942	0.6
172.05273	0.6
177.04126	0.6
187.07686	0.8
195.05167	1.8
201.05632	1.6
201.09299	0.6
202.06534	0.7
213.18698	0.7
215.07146	1.7
229.08694	2.6
230.09543	3.2
299.26157	1.4
313.08868	1.1
327.29016	0.8
337.05731	0.4
345.30063	6.3
387.30963	0.5
441.32788	0.5
452.17081	1.1
476.76715	0.5
488.33209	0.7
489.34317	39.7
490.34439	2.5
507.35315	19.8
508.36151	1.2
549.20575	1.0
549.36285	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	551.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14751	0.5
51.12519	0.4
55.01888	1.1
58.14429	0.6
59.01386	7.1
61.98848	0.6
66.90344	0.5
69.03480	0.7
69.64724	3.3
71.01389	4.8
72.99319	1.5
73.02957	2.6
75.00861	0.7
75.21944	0.4
83.01389	0.6
85.02962	3.0
87.00896	1.0
89.02450	3.8
93.03475	0.5
95.01402	1.1
96.96016	0.6
97.02969	0.5
99.00888	0.9
101.02462	2.6
108.02186	53.3
109.02985	13.6
110.03321	0.5
113.02462	3.1
116.92870	1.0
119.03512	1.3
121.02972	26.9
122.03323	0.6
123.00925	1.1
125.02431	0.5
127.80486	0.5
133.03065	0.6
134.03757	0.8
135.04535	1.1
137.02472	0.9
145.03058	0.5
149.02455	1.0
149.04562	0.6
151.04056	0.7
152.01166	100.0
153.01959	5.4
163.04015	4.4
165.05560	1.0
175.03979	1.2
177.01955	1.7
179.03548	1.2
185.12000	0.6
193.05122	0.6
222.83017	0.6
287.44196	0.5
297.06107	1.1
315.07339	1.7
402.08118	0.5
429.10385	33.9
430.10788	2.4
551.14124	80.1
551.30988	8.0
552.14508	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
56.95721	0.3
57.03465	1.8
58.00566	0.4
59.01385	100.0
59.93210	0.3
60.01721	1.2
61.01815	0.5
61.98847	0.6
66.62470	0.3
67.07290	0.3
69.20463	1.4
69.20890	1.7
71.01390	10.9
71.05038	0.4
72.99310	0.7
73.02956	3.2
75.00878	0.6
81.03456	0.3
83.01394	2.5
85.02959	7.3
86.00105	0.3
87.00885	1.1
89.02462	2.6
95.01411	1.5
96.96049	0.7
97.03007	0.6
98.20671	0.6
99.00902	1.4
101.02445	7.2
102.09808	0.3
111.00873	0.7
113.02464	8.3
114.02773	0.5
119.03524	1.1
124.06984	0.3
125.02461	1.0
129.01947	0.7
143.03510	1.4
159.03036	0.6
161.04570	2.8
163.00385	0.6
175.07748	0.3
177.04074	0.3
179.05568	0.4
185.98482	0.3
186.07039	0.3
187.07574	0.3
195.05200	0.4
201.05559	0.5
213.18724	0.5
215.03568	0.4
215.07143	0.6
215.93439	0.3
229.08774	1.3
230.09595	0.8
297.24420	0.3
299.26050	1.4
345.30099	8.6
346.30341	0.4
385.71054	0.3
441.32489	0.5
459.33420	0.3
489.34317	25.5
490.34781	2.3
499.25620	0.4
503.19037	0.3
507.35358	10.5
508.35989	0.8
549.20422	0.7
549.36438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56183	0.4
52.63448	0.3
55.01883	1.5
57.03456	3.2
59.01384	100.0
59.91710	0.4
60.01709	0.6
69.41687	2.6
71.01388	11.6
72.01707	0.3
72.99319	0.7
73.02950	5.2
75.00901	0.3
78.45246	0.4
83.01390	4.4
85.02952	8.0
85.06635	0.5
86.00076	0.7
87.00890	0.9
95.01389	1.8
96.73941	0.3
97.02966	1.1
99.00890	1.8
101.02451	9.2
101.03117	0.6
111.00911	1.3
112.01629	0.5
113.02460	6.5
115.04042	0.5
125.02469	1.0
129.96573	0.4
143.03517	1.4
152.34193	0.4
159.03024	0.4
161.04579	2.0
173.25348	0.3
188.82777	0.4
211.17026	0.3
213.18620	2.5
219.45851	0.4
223.96933	0.4
232.16872	0.4
235.33150	0.3
250.55272	0.4
253.44855	0.4
299.25955	2.2
327.29037	0.4
337.12881	0.4
345.30121	6.6
346.30344	0.4
441.32132	0.7
453.31818	0.5
459.33347	0.5
483.53375	0.4
489.34363	50.9
490.34695	5.2
507.35394	27.2
508.35718	1.9
549.36481	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	549.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14692	0.7
56.07409	0.7
57.03468	1.1
59.01386	100.0
60.01712	1.6
61.98836	2.4
69.70844	0.6
69.86783	2.8
71.01391	12.4
72.99325	1.1
73.02955	6.3
75.00905	1.0
83.01402	3.4
85.02951	5.6
87.00907	1.6
89.02468	2.9
95.01408	1.3
96.96009	0.8
99.00899	1.6
101.02444	7.7
103.00375	0.8
113.02457	7.0
116.05081	1.0
117.03460	0.8
119.03558	0.9
121.02995	0.9
135.04559	1.3
138.66399	0.6
143.03510	1.1
159.04625	0.7
161.02493	0.7
161.04604	2.3
173.06151	1.0
177.02122	0.7
177.04089	1.8
186.06816	0.7
187.03938	0.6
187.07678	2.1
200.04897	0.9
201.05528	3.7
201.09296	1.3
202.06360	1.4
203.03514	0.6
203.07191	0.8
215.07104	3.3
229.08690	4.6
230.09483	5.3
260.15994	0.7
281.04578	1.1
283.06213	2.7
295.03091	0.7
311.05640	5.6
323.06046	1.0
345.29935	4.8
413.08920	7.3
414.09219	0.8
445.32004	2.7
452.16949	2.5
463.32791	1.3
489.34302	19.5
507.35263	6.8
508.36401	0.8
549.13678	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	549.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16875	1.1
57.03454	90.3
58.00579	1.8
59.01385	95.2
60.01727	1.4
69.24809	2.1
69.25209	9.3
71.01389	31.9
72.99341	1.3
73.02950	13.8
74.35346	1.0
75.00864	2.8
78.90780	1.3
81.03441	2.3
83.01392	4.6
84.02142	1.0
85.02959	11.1
87.00894	3.3
89.02457	26.4
95.01385	2.0
96.96014	3.7
99.00861	1.7
99.04529	100.0
100.04908	1.9
101.02454	37.2
109.02960	1.4
113.02460	16.9
115.00409	1.8
119.03526	8.7
123.04554	1.3
125.02451	28.0
139.07683	1.3
143.03532	8.5
146.03722	1.3
149.04552	1.6
153.09245	3.3
161.04596	5.6
179.05615	4.0
195.05078	3.6
209.11829	1.4
211.07600	3.5
237.05484	1.6
243.15993	3.7
258.01093	1.4
281.08374	1.2
353.06619	5.7
387.20233	15.3
388.20685	1.2
405.21295	13.2
447.22446	14.1
487.25302	6.4
505.26624	3.4
549.25592	70.7
550.25708	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	549.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.00038	0.1
59.01387	1.8
71.01377	0.9
71.54581	0.1
71.54954	0.1
72.99303	0.1
73.02953	0.3
75.00892	0.3
79.95747	2.9
83.01433	0.2
85.02952	0.4
89.02457	0.7
91.43526	0.1
93.09925	0.1
96.96019	100.0
97.95989	0.3
99.04536	0.4
101.02439	0.7
109.02957	0.4
113.02468	0.5
116.92876	1.4
119.03532	0.3
135.02992	0.1
137.02515	0.1
146.03770	0.2
147.04555	0.2
149.04530	0.1
151.00375	0.2
158.03752	0.3
159.04469	0.1
159.10260	0.3
161.04634	0.2
163.99324	0.1
173.06085	0.1
175.02434	0.1
179.10696	0.1
195.05086	0.2
251.13055	0.2
266.05908	0.1
267.06775	0.3
283.09760	0.4
327.08740	0.4
345.76862	0.1
353.06790	0.5
417.21838	0.2
421.61179	0.1
431.19553	0.1
541.41479	0.1
549.13324	0.2
549.22339	0.6
549.29724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06177	0.8
55.01878	0.9
57.03455	86.9
57.49263	0.9
58.00578	1.2
59.01385	87.4
60.01705	1.2
71.01010	1.7
71.01390	25.4
71.50349	1.7
72.99303	2.8
73.02566	1.3
73.02953	20.3
74.08076	0.9
75.00877	2.0
75.34714	0.9
81.03465	2.6
83.01387	7.2
85.02973	6.1
87.00883	2.4
87.04488	0.8
89.02458	21.1
95.01377	2.3
96.96022	1.5
97.06562	1.1
98.95602	1.6
99.00871	1.2
99.04530	100.0
99.91536	1.0
100.04887	1.7
101.02454	45.0
113.02460	14.3
113.06068	1.8
119.03507	8.4
123.04505	6.3
125.02458	27.3
131.03511	2.2
143.03514	6.8
147.04524	0.8
149.04558	4.0
161.04576	7.5
163.03873	1.0
167.10722	2.7
179.05621	4.5
225.15016	2.4
238.63791	0.9
311.05576	1.2
345.09833	1.6
356.23508	0.9
387.20135	3.0
405.21320	6.7
447.22397	9.8
455.95648	0.9
487.25504	3.5
499.90170	1.0
505.26498	3.4
549.17249	1.4
549.25555	40.8
550.26074	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	549.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03452	89.3
58.00605	1.2
59.01383	100.0
60.01693	1.7
61.98866	1.3
64.39017	1.4
66.18001	1.3
69.03428	1.8
69.55160	9.0
70.54533	1.4
71.01385	43.6
72.99298	3.4
73.02956	21.3
75.00897	2.3
81.03462	2.9
83.01385	9.3
85.02953	15.1
86.35433	1.1
87.00882	3.5
89.02448	36.8
95.01406	4.7
96.96037	6.9
97.06654	1.3
98.20596	2.5
99.00907	4.4
99.04523	89.5
100.04844	1.5
101.02450	58.0
113.02453	24.6
113.06160	1.4
119.03494	14.6
123.04504	3.1
125.02451	36.0
125.06086	1.8
129.79529	1.2
131.03555	3.0
141.05595	1.3
143.03503	7.2
149.04562	3.5
159.03040	1.5
161.04565	11.0
165.09270	2.0
167.10765	2.8
179.05621	5.8
195.05138	2.3
211.87746	1.6
242.05759	1.5
243.15987	4.9
264.00201	1.2
287.98795	1.3
304.26151	1.4
387.15149	2.7
387.20218	28.1
388.20349	1.9
405.21295	47.3
406.21625	3.1
447.22455	16.1
487.25574	2.1
489.19778	9.6
505.26324	1.8
549.25574	47.3
550.25696	5.2
550.34467	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	549.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50951	0.9
59.01380	6.3
69.03467	18.9
71.02590	2.3
71.18856	0.9
79.05541	7.2
98.03722	1.7
105.07114	1.6
107.05035	16.2
121.02972	1.5
135.17516	1.0
145.05098	4.7
149.06090	1.9
157.05278	2.0
157.06560	7.9
159.04520	6.5
165.02025	1.8
173.05962	1.6
175.07669	33.8
176.07983	1.2
182.71555	0.9
187.04039	2.3
187.07660	2.3
200.83919	1.0
201.05571	9.7
203.07043	0.9
219.06610	1.0
223.07701	1.5
225.09294	1.2
226.09959	1.3
227.07225	1.5
237.09235	2.0
239.07216	1.3
241.08757	7.5
249.05727	1.4
253.08813	1.4
253.15910	1.3
260.51849	1.0
263.07101	1.1
267.06424	1.0
277.12387	1.6
279.10260	4.3
279.13141	1.0
286.98895	1.0
288.08072	1.0
289.08850	1.1
293.11838	6.3
294.12762	1.1
295.17197	1.4
297.14954	1.0
297.53510	1.0
303.10303	1.2
304.11075	3.4
305.11884	1.7
305.15292	1.0
307.09772	1.2
311.47864	1.1
313.10751	2.5
317.11780	1.5
319.17047	1.7
321.11230	1.6
322.12067	1.3
331.13135	1.4
339.16028	2.6
343.13400	1.2
347.20132	2.3
357.15094	1.4
373.18237	7.0
391.19189	100.0
392.19394	7.1
401.21228	7.8
411.23651	2.1
413.21198	1.6
429.20721	1.3
437.21143	3.0
455.22269	31.2
455.28894	1.6
456.22607	3.4
469.23730	2.6
473.23370	4.3
487.24747	7.7
499.21323	21.3
500.21622	1.7
517.22253	10.5
518.22699	1.5
531.23987	7.6
549.24786	25.9
549.32617	1.6
550.25519	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	549.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14410	0.8
53.86920	0.9
59.01387	4.6
61.98820	1.2
69.03468	15.2
79.05533	5.1
80.58220	0.8
93.03423	1.2
98.03739	2.8
98.19949	2.1
99.65902	0.8
105.07114	1.2
107.05042	14.8
113.02496	1.1
121.02975	2.4
135.04552	2.7
141.62515	0.9
145.05066	3.6
149.06009	1.5
157.05092	2.3
157.06590	9.9
159.04556	5.6
161.02507	1.2
173.06108	2.2
175.07658	31.9
176.07916	1.2
185.06042	1.5
187.03986	3.6
189.12836	1.1
197.09715	1.1
199.07626	1.9
201.05583	7.7
202.06239	1.1
211.07692	1.0
217.08714	1.0
223.07584	1.5
225.09224	4.0
226.09973	2.1
227.07196	1.8
227.10818	1.6
235.07838	1.3
239.10686	0.9
241.08707	5.8
241.12326	3.3
251.07144	1.2
253.08620	1.3
254.09705	1.0
265.08514	1.1
267.06674	1.9
275.10669	1.5
277.08832	1.1
277.12378	1.0
279.06662	2.8
279.10287	3.8
279.13470	1.1
280.10941	1.0
289.08835	1.6
291.10269	2.1
293.11929	6.6
294.12579	1.9
295.16977	3.3
296.14099	1.1
304.11044	2.9
305.11664	2.2
307.09756	1.4
313.10840	5.0
317.12021	1.1
321.11407	1.6
322.12088	2.2
329.11923	1.0
335.12842	1.3
336.10239	2.0
339.16159	5.0
345.18726	1.3
347.16418	1.7
347.20151	2.6
355.15103	1.1
363.19830	1.7
373.18115	8.4
391.19183	100.0
392.19540	8.1
401.21292	5.2
403.19388	1.4
413.21506	1.7
429.20291	1.1
437.21237	2.5
455.22284	20.0
456.22409	1.1
469.23743	1.7
470.00601	1.0
473.23312	4.6
487.24628	4.8
488.24884	1.3
499.21335	13.2
500.21252	1.1
517.22296	15.5
518.22284	1.7
531.23920	5.8
549.11438	1.0
549.24573	26.9
550.25446	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	549.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37689	1.1
52.43887	1.2
57.03453	11.0
58.00583	3.2
59.01386	95.1
61.98830	1.4
71.01390	45.9
71.04966	1.4
71.54646	2.0
72.99292	3.2
73.02951	8.7
75.00864	4.1
83.01376	3.4
85.02942	13.1
87.00862	3.9
89.02454	39.9
95.01390	1.7
99.00873	1.8
99.01739	1.3
99.04525	28.9
101.02454	22.7
109.02892	1.3
113.02467	16.2
117.01881	1.2
119.02785	1.4
119.03522	12.1
121.06577	2.8
125.02425	2.4
131.03497	2.6
133.02950	2.8
133.05078	1.3
135.03047	5.9
141.97467	1.4
142.69363	1.2
143.03506	1.7
149.04533	6.4
152.66092	1.2
161.02426	5.2
161.04597	6.5
163.14862	2.0
169.12488	1.2
177.02032	1.2
177.03847	1.2
179.05563	3.6
189.12825	4.7
189.49693	1.2
207.12067	1.7
207.13910	26.1
233.11928	1.8
235.06018	1.6
241.86836	1.3
251.12901	90.8
252.13174	5.4
255.06837	1.4
269.04456	2.1
271.02380	3.2
285.06821	1.9
297.04068	6.7
300.02621	2.5
301.03497	2.4
312.06244	2.4
327.08810	12.9
353.06570	3.8
364.86563	1.3
369.15674	6.4
387.16229	1.7
405.20816	2.5
413.78513	1.6
417.21594	2.1
431.19116	53.6
432.19379	2.5
497.04550	1.4
505.09897	2.0
549.21716	100.0
549.28967	13.6
550.22162	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	549.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
57.03452	28.7
59.01384	100.0
61.98832	8.1
65.02029	1.9
69.03469	3.6
70.67391	5.9
71.01386	78.1
72.99287	6.6
73.02953	16.6
75.00869	4.4
75.12244	1.7
77.37746	1.9
81.03412	2.1
81.41717	1.7
83.01391	7.2
85.02960	28.6
87.00872	7.3
89.02449	60.2
95.01395	9.8
96.96021	20.6
97.02953	5.2
99.00890	13.2
99.04527	26.2
101.02453	57.6
111.00880	3.1
111.04624	2.1
113.02462	42.5
114.55370	2.0
119.03532	15.0
121.02898	2.5
125.02464	13.9
129.01927	4.5
131.03496	6.0
134.03680	2.1
137.02380	2.5
139.07674	16.5
140.13771	1.8
143.03456	7.8
147.04523	2.9
148.81779	1.8
149.04555	8.5
151.03961	3.8
151.05127	1.9
152.99985	1.9
159.02974	4.6
161.04570	26.9
163.11288	3.6
165.05518	2.0
175.02502	3.0
179.05611	13.9
184.06206	4.7
191.05588	5.4
195.05077	4.2
195.10255	1.9
217.28778	2.0
221.06664	2.5
233.06734	2.4
249.06126	3.1
255.10220	3.8
261.97141	1.9
282.30539	2.3
283.10663	6.3
291.44910	2.0
293.08893	3.7
341.11505	2.3
351.27975	2.4
357.15601	13.0
387.20251	4.4
405.13928	4.9
405.21191	6.2
425.13196	2.2
447.22220	3.3
454.02954	2.2
489.19800	55.5
489.26807	4.0
490.19833	3.1
512.75592	2.1
513.11493	14.9
549.14783	3.7
549.22339	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38058	1.4
57.03447	4.7
57.09489	1.2
59.01388	19.3
61.98832	2.4
62.20622	1.3
66.84203	1.4
68.99830	2.4
69.03459	2.7
70.29270	1.3
71.01391	26.2
72.00931	8.2
72.99306	6.9
73.02943	5.9
75.00880	17.1
79.88321	1.4
83.01393	2.9
85.02955	23.2
87.00875	7.0
89.02444	7.8
91.04027	1.4
93.03465	56.9
95.01379	6.0
95.58435	1.3
96.96014	10.3
99.00895	18.8
101.02434	5.1
103.00347	2.0
113.02456	31.2
115.00413	2.0
117.01952	3.7
121.02935	2.7
129.01906	2.9
137.02461	93.6
138.02818	1.7
147.04536	24.1
148.04845	6.9
149.04594	2.1
152.95439	1.5
158.94044	1.3
161.04507	2.5
164.07185	48.5
165.07542	16.3
171.25310	1.3
175.02522	3.3
179.07286	1.5
193.04996	1.8
193.43327	1.4
207.04938	1.9
211.06149	12.1
231.05090	4.6
234.55606	1.6
249.06174	41.3
251.11365	4.3
267.04715	2.1
267.07269	25.7
325.09402	2.3
369.08289	9.9
383.15643	12.1
384.16003	11.2
387.09354	85.2
388.09570	5.8
429.10739	3.2
440.85956	1.6
454.80215	1.4
549.14648	100.0
550.15125	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	549.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.7
59.01387	16.2
61.98817	1.6
69.29191	4.8
71.01384	1.7
96.96005	1.1
98.35081	0.5
101.02467	0.7
113.02460	1.0
121.02991	4.1
132.02112	0.7
135.04449	0.6
147.00909	2.3
151.04005	1.2
153.27327	0.5
155.05023	1.0
156.05843	0.6
157.06599	2.8
161.04651	0.6
161.99562	0.7
165.01950	1.4
170.03685	1.0
173.06090	3.6
179.03502	9.5
180.04034	0.6
182.03667	0.9
183.04472	0.9
185.06087	2.0
198.03217	1.6
199.03871	0.7
203.07178	3.1
207.03008	37.2
208.03345	1.2
211.04008	1.9
213.05605	1.6
217.00279	0.6
222.05347	41.8
223.05688	1.3
226.02771	3.6
227.03549	5.3
230.73077	0.6
231.06711	0.8
237.07701	100.0
238.02705	1.2
238.08011	2.8
239.03571	2.0
241.05084	20.3
242.05527	0.8
254.02235	1.2
254.18871	0.5
255.02914	2.5
264.82495	0.6
266.02271	0.7
267.06650	0.6
269.04581	1.1
283.02469	6.5
284.03281	0.8
297.04059	9.8
298.04843	19.0
299.05392	1.4
312.06415	19.9
313.07178	7.2
313.61713	0.6
327.08670	1.8
349.25650	0.5
394.03027	0.6
407.17621	2.6
438.57486	0.6
489.34570	1.4
549.12860	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01285	0.3
50.38793	0.2
57.33818	0.3
57.76729	0.3
59.01389	1.7
61.98849	0.4
69.20107	2.6
72.97095	0.3
77.03953	1.8
80.39706	0.3
80.87933	0.3
93.03451	0.6
97.46805	0.3
121.02971	100.0
122.03309	2.5
135.08556	0.3
147.04614	0.3
165.01947	55.4
166.02292	1.6
179.04904	0.4
180.05821	0.8
181.06630	2.9
197.06102	2.7
207.04526	0.8
223.04021	0.4
224.45346	0.3
225.05603	1.7
257.09833	0.5
285.09262	0.4
313.07117	1.5
349.18555	0.4
357.06274	0.9
382.95102	0.3
383.07547	0.4
417.09882	2.2
505.11603	2.1
549.10431	27.5
550.10602	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	549.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03444	1.1
59.01387	6.3
60.78368	0.3
63.02406	0.5
65.00329	1.6
65.31500	0.3
71.01390	3.7
71.54423	0.2
72.99319	0.3
73.02945	2.0
83.01377	1.5
85.02959	1.2
87.00858	0.6
88.04057	0.4
89.02448	2.7
91.01883	0.6
93.03459	0.4
95.01377	0.7
96.96007	2.1
98.95588	1.5
99.00886	0.6
99.04519	0.9
101.02451	2.6
107.01409	2.7
108.02176	2.2
109.02950	2.3
111.00888	0.4
112.54008	0.2
113.02454	1.4
116.92828	0.5
119.01418	0.4
119.03515	0.5
121.02959	2.4
124.01655	0.4
125.02434	0.9
129.01938	0.7
129.17314	0.3
131.03432	0.4
135.00883	1.0
135.03052	0.4
145.02997	0.4
146.03752	1.8
147.04520	1.8
148.01639	1.7
149.02435	0.4
149.04570	3.5
149.05760	0.5
151.00378	11.7
152.01039	0.3
158.03648	0.3
159.04471	0.6
161.04626	0.4
161.06059	0.4
163.00389	2.8
163.03928	0.3
164.01169	0.8
165.05525	0.4
169.01431	0.3
174.03142	0.4
175.04092	0.7
177.04004	0.6
178.99863	5.3
183.04532	0.6
183.88864	0.3
187.03973	0.7
189.02023	0.3
192.00604	0.5
195.05098	3.5
198.03172	0.4
199.03954	1.5
201.01904	0.3
201.05566	0.5
209.00816	0.3
211.03990	1.1
213.01874	0.4
214.02663	0.3
215.03532	1.0
216.04163	0.6
221.01651	0.3
226.02724	1.4
227.03496	4.0
228.04234	0.4
229.01370	0.6
229.05098	0.6
231.80020	0.3
239.03563	0.3
243.00485	0.6
243.02986	12.3
244.03441	0.8
245.04543	1.2
249.05702	0.5
250.06525	0.4
254.02278	2.4
255.02986	29.7
256.03387	1.6
257.04578	0.3
265.04944	0.6
266.05795	1.9
267.06549	0.8
268.07401	0.4
271.02490	64.5
272.02966	4.6
273.04010	1.1
281.08179	1.3
283.02490	1.5
283.09796	1.0
284.03281	0.3
293.04709	0.3
294.05426	0.7
299.01804	1.4
300.02759	100.0
301.03482	41.8
302.03961	1.9
309.07599	0.8
327.08661	0.6
333.01575	0.3
343.04596	0.6
353.06638	8.8
354.06851	0.8
371.07639	0.4
387.16614	1.1
417.21548	0.6
431.18933	0.3
463.08832	4.1
505.09900	65.9
506.10181	6.2
549.12903	1.5
549.22559	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	549.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	7.9
58.00595	2.0
59.01384	57.4
59.03465	1.2
61.98832	2.4
63.02396	1.5
64.24387	1.3
71.01389	28.2
71.05076	1.3
71.54951	1.6
72.99296	2.9
73.02952	10.3
75.00876	6.5
78.76296	1.1
83.01383	5.1
85.02958	9.4
87.00885	5.7
89.02449	25.5
93.03419	1.7
95.01408	2.6
96.96034	5.1
99.00877	4.4
99.04533	7.4
101.02455	17.2
107.01360	2.9
108.02198	2.9
109.02953	5.1
111.00935	1.4
111.08113	1.4
112.59628	1.3
113.02447	9.3
119.03529	5.8
121.02975	4.1
125.02454	4.3
129.01886	1.3
131.03506	4.2
134.03761	1.2
135.00946	1.7
135.03012	3.0
136.01698	7.9
137.02452	3.4
139.07672	5.0
143.03534	1.6
146.03749	3.1
147.04503	2.9
148.01671	1.8
149.02597	1.3
149.04567	33.6
151.00378	13.8
151.04012	14.9
159.02925	1.4
161.04594	4.0
163.00377	2.8
166.02708	10.6
169.06595	1.8
175.02611	1.6
175.03998	1.7
178.99864	7.1
179.05629	2.4
181.05066	12.1
195.05090	4.3
207.13864	5.8
211.04207	1.2
211.07681	14.0
215.03348	1.4
225.05521	1.8
227.03510	4.2
227.07104	5.0
237.05545	19.2
243.02925	12.6
251.13147	9.3
254.02208	2.9
255.03026	27.4
255.06636	6.3
266.05844	2.2
271.02472	61.7
272.02927	4.4
283.09714	2.4
299.01816	3.7
300.02753	100.0
301.03494	51.7
301.06427	0.9
302.03983	3.0
309.07715	2.7
327.21954	1.9
332.59460	1.4
353.06631	6.6
356.45999	1.4
357.09787	2.8
372.12216	2.6
387.14517	31.3
388.14871	2.6
417.16904	2.0
417.21600	2.7
431.19162	7.7
445.07544	2.9
463.09000	2.4
489.26910	2.4
505.09830	59.8
506.10190	4.5
507.28281	1.4
548.27032	1.6
549.14484	10.0
549.22192	11.8
549.29071	30.6
550.30072	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	548.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64690	0.7
55.01885	0.6
57.03438	1.0
58.88495	0.7
59.01389	6.3
61.98836	1.7
69.68264	1.5
69.68674	2.5
71.01392	10.7
72.00552	1.1
72.00916	13.1
72.99318	0.8
73.02963	3.7
75.00869	1.4
83.01402	1.9
85.02947	4.3
87.00888	0.7
89.02456	6.3
91.05529	1.1
93.03466	2.7
95.01392	1.0
96.96027	1.5
99.00889	3.0
101.02451	9.8
103.05543	1.2
113.02464	5.5
118.06538	0.6
119.03522	1.0
119.05056	0.8
125.02454	0.8
135.57516	0.6
137.02480	4.4
144.23010	0.6
147.04533	42.6
148.04893	1.0
149.04532	0.8
159.03033	0.8
161.04564	5.4
164.07178	100.0
165.07495	2.5
191.05580	0.8
233.06512	0.9
241.73997	0.7
249.06171	2.4
251.11360	14.3
252.11732	0.7
267.07288	1.3
269.60562	0.8
274.18570	0.7
364.79156	0.6
383.15594	61.1
384.15958	2.3
387.09274	3.6
477.12152	0.7
507.91150	0.6
548.17102	0.7
548.25763	1.0
549.14618	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	547.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46629	1.3
57.03452	1.6
58.40114	1.4
59.01388	100.0
60.38878	1.2
61.98828	2.6
71.01392	25.1
72.99326	2.2
73.02956	9.7
83.01402	4.0
85.02946	10.9
87.00879	3.4
89.02456	6.7
93.03519	2.1
95.01385	3.0
96.95992	2.3
97.06599	3.9
99.00908	4.6
101.02455	17.6
110.00079	2.5
113.02461	15.7
119.03468	3.1
119.05064	1.6
125.02522	2.3
127.15455	1.5
143.03535	1.9
143.10779	4.1
153.01984	7.9
159.02965	2.4
161.02495	1.6
161.04579	11.3
209.11804	5.8
242.05898	3.4
307.26361	1.9
311.22336	4.8
325.27438	3.8
343.28577	11.5
409.41986	1.4
427.21359	1.8
487.32764	31.9
505.33859	11.8
529.18750	2.6
547.26532	4.6
547.34680	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	547.3439
Annotation	Manzamine A
Peak:m/z	Relative Intensity
70.19360	3.0
93.03469	1.7
98.19917	0.8
106.40096	0.7
109.06581	1.8
135.04515	1.9
161.02493	4.6
169.10349	1.0
189.09192	0.8
190.09975	1.1
203.10812	0.8
211.07619	6.3
212.08485	4.4
213.09207	1.5
223.07614	1.1
224.08481	0.9
225.09192	8.5
226.84052	0.9
233.08163	1.3
237.09233	33.2
237.11667	1.6
238.09485	1.1
256.07489	5.5
263.07047	1.5
263.14346	2.6
269.08255	14.0
279.13916	14.3
281.08218	45.0
281.15433	15.1
282.08676	2.1
295.09860	1.5
305.11777	0.8
307.13416	5.5
323.12997	1.4
324.13699	14.5
325.14474	23.6
326.14697	1.3
356.12564	0.9
361.71335	0.8
466.39932	0.9
503.35303	1.6
547.34338	100.0
548.34619	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	547.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
57.03441	4.1
59.01388	67.1
60.99314	9.3
69.83272	1.8
70.18429	4.4
71.01395	33.4
72.99287	7.0
73.02940	6.8
75.00473	2.6
75.00881	38.5
83.01324	1.9
85.02946	7.6
87.00859	2.2
88.10021	1.5
88.98819	50.2
89.02455	43.6
94.83543	1.6
96.96015	4.2
98.95580	2.8
99.04526	6.1
101.02447	17.7
103.51665	1.6
109.82563	1.7
113.02476	12.7
117.01939	4.0
119.03498	11.8
122.02502	1.9
127.77637	1.7
131.03511	3.7
135.03015	100.0
136.03308	2.1
143.03358	2.1
149.04578	13.4
150.06906	1.6
161.04527	3.3
161.13319	7.3
175.02541	1.9
179.05637	8.4
187.11189	3.4
193.05000	2.4
201.98897	2.0
205.12366	23.2
223.13153	2.0
241.04744	2.1
249.11360	28.3
299.05270	2.3
313.03735	4.0
324.31479	1.8
328.05896	3.0
343.08121	6.4
346.87640	2.3
350.57458	1.9
367.13940	7.7
385.18372	2.3
429.17545	13.8
476.95828	2.1
547.20184	96.1
548.20624	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	547.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16721	1.2
57.03433	2.7
58.00589	2.1
59.01384	60.6
60.99305	1.5
69.24374	7.0
69.24798	4.4
71.01384	29.1
72.99301	4.9
73.02948	3.7
75.00478	2.2
75.00880	34.3
83.01386	2.9
85.02957	7.2
87.00873	1.9
88.98818	9.5
89.02455	37.0
91.54813	1.1
95.01386	2.3
96.96020	21.9
98.95579	1.2
99.04497	4.3
101.02467	18.1
111.04536	2.4
113.02464	9.7
117.01942	3.0
119.02766	1.5
119.03513	13.2
131.03435	1.9
135.03009	100.0
139.03661	1.2
143.03441	1.3
149.04500	1.3
159.40509	1.2
161.04562	2.9
161.13330	9.2
179.05605	6.9
187.11177	3.6
205.12332	27.2
223.13289	1.4
249.11316	27.2
299.05603	2.0
311.61310	1.2
367.13998	9.5
385.18787	2.2
429.17673	20.3
430.18051	1.6
462.93997	1.6
493.44119	1.5
547.20258	68.1
547.26843	3.6
548.20526	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	547.204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92673	0.6
51.44565	0.6
55.01882	1.2
57.03456	9.9
57.03725	1.1
58.00615	1.8
59.01384	53.2
60.01745	0.7
70.43576	0.6
71.01389	20.4
72.99315	4.5
73.02950	4.2
75.00877	29.3
83.01398	2.5
83.05046	0.7
85.02965	5.3
87.00889	2.4
87.04570	0.6
89.02451	23.3
95.01388	1.5
96.96014	5.2
97.02956	0.7
98.95599	2.9
99.00928	1.3
99.04532	11.9
101.02455	12.5
112.30421	0.6
113.02462	7.1
114.01985	0.9
114.02766	0.8
117.01967	3.1
119.03517	7.3
125.02455	4.9
131.03520	1.8
134.89015	0.6
135.03011	100.0
136.03409	0.8
143.03552	1.7
149.02429	0.8
149.04558	3.5
151.00403	0.9
161.04572	3.2
161.13361	7.9
162.13701	0.6
165.04028	0.8
167.03458	2.3
175.02600	0.7
179.05620	5.2
187.11311	1.0
205.12343	12.6
211.04054	1.3
239.03510	4.5
240.04291	0.9
241.14438	4.4
241.22380	0.6
248.62463	0.6
249.11348	6.9
266.81818	0.7
267.02921	3.2
267.06931	0.9
268.03802	11.8
281.04517	1.7
281.07968	0.8
282.05377	1.7
283.06137	17.6
284.06369	1.1
299.05399	0.7
301.10867	1.1
337.07040	1.0
341.02850	1.1
343.11768	0.8
367.13812	1.5
385.18625	2.6
403.19824	3.0
415.19543	1.2
429.17419	7.3
445.20444	1.8
487.12448	6.1
487.25284	2.1
505.26370	1.0
513.78259	0.7
547.20209	34.2
548.20782	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	547.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03450	0.9
59.01383	17.2
60.66651	0.6
61.98852	0.7
69.03461	1.1
69.10194	0.6
69.48466	4.1
70.28344	0.6
71.01389	4.6
72.99334	1.6
73.02969	1.8
75.00900	0.7
80.96522	1.4
81.03503	0.7
82.96127	0.7
83.01394	1.2
85.02977	3.3
85.25104	0.6
87.00887	0.9
88.16451	0.5
89.02449	3.0
95.01404	1.3
96.96006	3.3
97.02982	0.6
98.19901	1.2
99.00897	1.4
99.04538	1.7
101.02451	3.0
108.02184	44.8
109.02992	12.3
109.06323	0.5
113.02448	4.0
117.05589	10.7
119.03498	1.0
123.04552	0.7
132.41859	0.5
135.04549	0.8
151.04034	1.2
152.01166	100.0
153.01917	4.6
161.04523	1.2
162.07060	0.8
163.04053	4.0
163.07628	0.6
177.01996	1.1
179.03481	1.2
198.09032	0.6
207.03044	1.1
297.06137	1.1
315.07275	1.8
343.13980	1.4
385.15036	0.7
429.10379	21.2
430.11002	1.2
447.11630	8.0
489.12564	12.1
490.13025	1.0
529.15472	5.1
530.16034	0.7
532.10327	0.6
547.16681	87.8
548.17053	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	547.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
56.74743	0.5
57.03460	2.7
58.00603	0.8
59.01385	100.0
60.01727	0.8
61.98833	2.4
69.03472	1.4
71.01389	20.5
71.05046	0.8
72.99326	1.6
73.02954	7.2
75.00869	0.7
83.01399	4.3
85.02962	8.8
87.00897	1.8
87.03015	0.4
89.02454	11.4
95.01414	2.2
96.96022	2.7
98.95631	0.9
99.00887	2.4
101.02455	13.4
109.02986	1.2
111.00919	1.1
113.02468	12.1
114.02830	0.6
116.92876	0.8
118.27145	0.5
118.92700	0.6
119.03513	3.9
123.04549	0.6
123.72755	0.5
124.01754	0.6
125.02499	0.7
131.03568	1.1
135.04501	0.5
137.02531	1.0
143.03568	1.8
145.03006	0.6
149.04579	1.7
159.02991	0.8
160.01733	1.9
161.02431	0.5
161.04578	5.3
165.01985	1.7
175.04027	1.2
179.05666	1.7
193.05058	0.7
197.06113	0.7
198.03322	1.0
213.05586	2.4
213.09270	0.5
225.05713	0.5
241.05214	1.6
253.18221	0.8
269.04568	13.1
270.05057	0.8
284.06934	20.5
285.07309	0.9
299.09250	15.2
300.09521	0.6
325.27521	1.0
343.28513	2.9
385.13068	0.7
415.23428	3.9
469.31708	1.2
487.32849	19.6
505.33835	8.6
505.39908	0.7
547.32208	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89313	3.0
55.01882	3.2
57.03449	9.5
58.67253	2.8
59.01383	100.0
60.99300	4.0
66.36126	2.5
71.01389	35.3
71.30644	3.0
71.55733	2.6
73.02956	18.6
75.00880	4.6
79.16809	2.5
83.01411	5.2
83.05042	5.2
83.20347	2.9
85.02978	16.0
87.00897	10.7
88.98808	23.4
89.02456	22.0
93.03485	7.9
95.01386	5.0
96.96020	8.4
97.06614	5.4
98.95583	3.2
99.00899	5.3
99.04531	4.0
101.02446	23.7
108.02214	5.4
108.16722	2.8
109.02908	3.9
113.02461	18.7
117.05624	2.7
119.03500	7.8
123.00884	6.7
123.04482	3.7
124.01677	11.1
125.06139	2.6
131.03528	4.3
133.02975	3.6
134.03746	3.4
135.03049	3.3
137.02423	4.8
139.04013	22.5
143.03587	4.0
149.02483	6.0
149.04578	9.8
150.03192	4.9
160.06242	3.0
161.02443	3.2
161.04556	5.2
161.09758	6.9
164.01161	8.0
165.01889	9.0
166.05133	13.5
167.03429	3.8
167.05478	6.2
175.03998	5.5
177.01917	14.2
177.05562	3.5
178.02721	40.4
179.03432	3.4
179.05568	5.4
187.11244	7.2
189.01939	7.2
191.03485	5.7
192.04346	4.9
193.05072	76.5
205.12396	4.6
219.02980	2.7
235.06039	6.9
239.03568	13.8
249.11386	4.4
251.03435	5.4
254.05885	8.4
265.05103	3.7
267.02982	8.9
267.06598	9.3
281.04547	5.2
282.05380	11.8
283.15594	3.6
284.03305	8.7
284.06561	5.2
293.04633	3.6
294.01730	6.5
294.05017	3.4
295.02487	17.9
295.06110	16.1
297.07706	5.7
297.11795	3.8
299.05499	12.7
299.09045	5.4
309.04013	11.7
310.04782	27.8
315.08740	3.9
325.07184	97.7
326.07532	6.7
341.06763	10.5
343.08182	52.7
373.25977	3.1
405.48895	2.9
415.19934	9.0
503.24814	10.0
547.14832	12.6
547.24200	56.1
548.23651	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	545.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.2
61.98816	2.2
69.10833	1.7
77.68692	1.4
83.05045	1.9
96.95996	3.5
102.55370	1.5
107.05047	5.4
107.46338	1.7
118.04269	4.4
135.04562	11.7
137.01906	1.5
175.07613	5.1
197.09869	1.9
201.12933	9.8
211.07727	1.7
213.09236	2.3
225.09258	16.7
226.09956	7.1
240.64833	1.8
251.07179	2.4
269.08185	6.9
279.14014	4.0
291.37286	1.6
335.09283	2.3
347.20255	2.9
349.10934	3.0
365.10159	2.3
377.10242	2.2
394.10416	3.1
394.49170	1.6
409.13123	2.7
453.21234	1.9
469.23941	3.4
483.21744	2.3
483.32889	9.9
501.33554	8.5
513.22729	9.0
515.14221	1.7
527.31854	3.3
545.25549	9.2
545.32788	100.0
546.25885	2.0
546.33221	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	546.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77833	0.3
59.01374	1.4
69.24931	3.0
71.01377	1.1
72.40169	0.4
72.99319	0.6
81.03463	1.3
83.04582	0.5
83.05038	4.5
89.02434	1.8
101.02442	0.6
108.02180	0.7
110.46333	0.3
111.06915	2.7
113.02441	0.6
119.03506	0.5
122.03754	0.6
126.09260	24.8
127.09587	0.7
128.10886	1.6
149.04527	0.3
152.22057	0.3
154.08748	0.9
160.88670	0.4
161.04512	0.4
167.03508	1.5
170.08202	0.8
171.33234	0.3
172.09810	1.0
179.05643	0.9
186.11356	1.0
204.12416	100.0
205.12775	3.0
268.17520	0.3
329.08670	0.5
341.10822	2.7
430.01761	0.3
444.68292	0.3
527.84296	0.4
541.80450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.2
61.98816	2.2
69.10833	1.7
77.68692	1.4
83.05045	1.9
96.95996	3.5
102.55370	1.5
107.05047	5.4
107.46338	1.7
118.04269	4.4
135.04562	11.7
137.01906	1.5
175.07613	5.1
197.09869	1.9
201.12933	9.8
211.07727	1.7
213.09236	2.3
225.09258	16.7
226.09956	7.1
240.64833	1.8
251.07179	2.4
269.08185	6.9
279.14014	4.0
291.37286	1.6
335.09283	2.3
347.20255	2.9
349.10934	3.0
365.10159	2.3
377.10242	2.2
394.10416	3.1
394.49170	1.6
409.13123	2.7
453.21234	1.9
469.23941	3.4
483.21744	2.3
483.32889	9.9
501.33554	8.5
513.22729	9.0
515.14221	1.7
527.31854	3.3
545.25549	9.2
545.32788	100.0
546.25885	2.0
546.33221	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	545.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83795	0.9
58.80862	1.0
62.13276	1.0
71.54102	1.9
89.85087	1.0
94.15732	1.3
102.82784	1.0
107.05018	1.3
137.62349	1.1
157.06586	3.0
159.08154	3.9
164.97275	1.0
169.06616	1.2
173.02515	1.6
180.37492	1.1
187.07645	1.7
195.08157	1.6
214.06288	1.0
225.09067	1.4
233.13506	1.1
236.88617	1.1
237.09155	1.8
237.12863	18.3
238.13298	1.8
247.11296	3.2
248.12045	1.1
261.12851	1.1
263.14478	10.0
279.13861	2.9
281.08240	2.2
307.13425	100.0
308.13535	7.1
324.13782	1.7
325.14441	15.0
375.19699	12.2
393.20624	1.6
545.32330	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	545.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05177	0.6
70.20863	1.4
70.21251	1.9
82.58723	0.6
84.61915	0.6
107.05022	1.7
112.41714	0.7
119.05021	1.0
119.08570	0.6
119.89569	0.7
131.16064	0.7
135.04482	0.7
139.33029	0.6
147.04535	1.8
158.66795	0.7
159.04523	2.5
160.05284	1.2
161.06154	0.7
171.08223	0.8
172.05359	0.7
173.09740	0.6
179.42134	0.5
184.90778	0.7
185.36156	0.7
187.07649	0.8
189.09196	1.8
197.09827	0.9
199.07613	1.0
201.09206	2.4
202.10027	0.7
225.09192	0.9
227.07133	0.7
229.12404	0.8
237.09259	2.2
237.12819	0.6
239.10773	3.3
241.08731	1.1
243.13835	2.9
249.12874	1.5
251.10767	9.3
253.15948	0.8
263.10776	1.0
269.11887	1.2
277.08853	0.7
277.12097	0.7
279.13870	6.7
287.14410	1.2
291.13931	4.7
293.12463	0.9
293.15567	5.7
297.14978	1.1
301.61966	0.7
305.15558	4.1
307.13309	1.2
315.17615	1.3
319.13403	2.9
323.20609	0.6
331.13455	1.1
335.33127	0.9
345.18600	2.0
359.23798	9.2
361.21643	2.2
367.19186	0.9
385.25363	2.1
389.17502	1.5
403.26440	24.0
404.26691	1.5
429.24374	6.9
431.25214	0.8
439.30133	1.1
465.31927	0.7
483.32693	1.7
501.33694	4.1
527.31702	52.9
528.32062	6.3
545.32764	100.0
546.33136	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	545.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03452	4.9
58.85364	0.7
59.01386	69.1
61.98822	3.3
67.03585	0.7
69.03469	2.1
71.01011	1.4
71.01388	19.6
71.05018	4.0
72.99317	1.6
73.02958	5.6
83.01387	3.1
83.05039	2.7
85.02966	7.4
85.06599	2.2
87.00871	2.3
87.04535	1.1
89.02458	12.3
90.47218	0.8
95.01392	2.9
96.96020	17.5
97.02948	1.9
97.06578	1.3
98.20663	1.9
99.00881	2.2
101.02452	16.0
109.06599	2.8
111.04522	2.9
111.08183	2.4
113.01849	0.9
113.02471	11.1
119.03517	3.3
134.59273	0.8
135.04539	0.8
143.03481	1.7
149.04568	1.4
161.04561	8.5
169.52333	0.9
179.05623	2.3
179.14394	2.2
185.00972	1.4
195.12125	1.0
195.13913	14.0
197.11818	3.6
209.15277	0.8
217.15939	1.0
221.15472	8.3
223.13458	4.9
229.19489	0.7
233.15683	0.9
239.16562	3.1
247.20592	1.1
251.16623	1.6
253.09311	40.9
254.09726	1.1
273.18597	1.4
291.19696	27.5
292.20126	1.8
309.20737	100.0
310.21030	5.2
341.13687	1.4
341.26974	1.9
342.41367	0.7
407.36664	0.9
485.31415	6.4
503.32706	5.7
526.74268	0.9
545.23083	1.3
545.32434	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	545.2551
Annotation	Isomorellinol
Peak:m/z	Relative Intensity
59.01378	3.9
69.48637	1.6
69.49043	5.8
75.23505	1.0
96.96013	3.4
107.05049	1.4
108.02193	1.0
118.04251	3.3
121.02977	3.3
135.04591	1.4
136.01657	4.2
145.06596	1.3
148.01688	1.7
158.03740	1.2
161.02509	1.9
165.32108	0.9
173.06079	9.0
175.03943	1.3
175.07762	0.9
176.01103	1.4
177.01884	1.5
182.23198	0.9
186.10126	1.6
189.01747	0.8
201.12836	9.3
217.05064	15.8
225.09195	2.9
227.10945	1.0
325.07071	2.2
353.17551	15.8
371.18585	4.7
372.08405	1.3
409.12946	4.6
413.27225	1.0
425.45892	1.2
461.15512	1.0
501.33749	2.5
515.20660	3.7
529.22913	1.1
545.25446	100.0
545.32349	6.7
546.25854	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	545.2554
Annotation	Isomorellinol
Peak:m/z	Relative Intensity
56.87664	0.9
59.01385	2.2
61.98839	1.1
65.00320	2.8
96.96022	3.0
102.88641	1.0
107.05031	2.2
107.16911	0.9
110.00111	4.3
111.00899	3.5
122.03764	1.3
123.00914	4.3
124.01680	4.1
125.02454	4.5
135.04529	2.7
135.79820	0.9
137.99580	1.6
139.00395	34.6
140.00688	1.0
147.08194	1.2
149.02467	1.3
153.01959	12.3
154.02699	3.4
169.05089	2.4
175.04092	1.7
187.03972	1.6
188.04858	1.1
189.05559	1.7
201.05537	1.2
201.12827	2.3
213.09319	5.3
225.09218	7.1
226.09988	1.5
229.21843	1.3
237.09059	1.3
257.11777	1.9
263.10846	1.5
279.13858	2.8
297.07413	1.6
315.13712	1.4
331.09811	1.6
347.20364	1.5
349.22083	1.0
360.10056	3.9
375.19565	7.1
384.14185	1.1
413.26740	1.2
453.20776	4.3
471.21793	42.6
472.22061	4.6
473.30637	1.7
486.24176	11.5
487.24887	1.4
501.26459	12.9
501.33807	6.9
502.26871	1.4
527.31567	3.0
545.25360	100.0
545.32874	30.2
546.25647	11.7
546.33423	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	545.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.3
61.98835	6.3
68.60470	1.7
68.99819	1.8
71.01389	9.7
71.45621	2.0
72.73538	1.7
72.99304	3.8
73.02947	3.1
80.70286	1.7
83.01375	3.3
85.02957	9.5
87.00878	6.1
89.02463	3.7
93.03474	7.8
95.01376	2.7
96.96027	23.1
98.95566	2.9
99.00902	6.0
100.01142	1.7
101.02415	4.7
108.02186	2.4
111.00868	2.2
113.02454	5.1
117.03452	3.1
119.03498	2.0
119.05052	5.5
131.05038	3.5
132.05801	6.1
133.06590	7.8
139.00375	2.3
143.05046	2.1
145.02971	2.0
145.06636	9.0
147.04543	17.7
149.06055	2.2
155.96771	1.6
157.06575	5.9
160.05247	4.3
161.06082	5.4
163.03951	2.0
163.07639	2.1
169.06592	4.8
173.06102	8.3
175.02608	2.6
175.04013	7.7
175.07611	2.7
177.05562	4.6
187.07671	16.7
189.05600	17.5
191.07114	6.0
199.02380	1.9
201.05579	17.0
203.03423	3.0
205.05070	8.0
219.06596	18.4
219.63412	1.7
221.04556	9.7
225.00693	2.1
235.06078	2.3
261.07632	3.7
263.05618	18.3
279.08765	3.3
323.07730	100.0
324.08090	5.3
383.09503	2.0
485.13242	2.0
488.34891	2.0
545.11920	1.8
545.18579	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	545.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36235	0.9
57.03454	4.9
59.01387	18.2
63.96263	1.9
67.01912	2.7
68.99828	4.7
69.03465	2.6
71.01389	24.1
71.02637	2.0
71.05025	1.0
72.99297	1.4
73.02949	3.0
75.00878	3.5
78.98602	3.6
79.95746	8.0
80.96523	48.5
81.03465	2.2
81.76305	0.9
83.01376	2.0
83.05018	4.5
85.02962	16.8
87.00870	12.4
89.02461	7.3
91.04048	1.7
93.03453	1.2
94.98090	10.5
95.01380	3.5
95.05061	2.0
96.96024	5.6
97.02943	2.1
99.00896	2.8
99.04522	1.1
101.02457	4.9
103.00378	1.0
106.98104	2.0
109.02953	2.1
111.00890	2.8
111.04539	1.3
111.08215	1.1
113.02461	20.3
113.06035	1.0
119.03496	1.1
121.03008	1.0
121.06596	2.9
122.97599	3.7
123.08171	11.0
125.02472	3.6
127.04049	1.1
129.01936	1.4
132.48271	0.9
134.97574	2.5
135.02995	1.3
137.09744	1.1
139.00359	1.7
139.07657	1.5
143.03468	1.6
145.10245	1.4
148.99165	4.9
149.06033	1.1
151.07578	1.0
152.98662	4.9
153.99127	0.8
157.01357	1.3
161.04556	2.0
163.04008	1.8
164.97289	1.2
164.98645	9.2
171.11821	8.4
175.02551	1.5
179.05602	2.4
179.07150	3.6
189.09200	2.1
189.12918	5.0
201.11241	2.3
201.12936	2.7
206.99678	2.2
207.13948	2.6
209.11774	1.7
219.13837	0.9
225.00740	16.9
237.14964	10.8
243.01747	1.4
249.06187	5.8
251.12779	1.9
256.30780	0.9
263.07727	17.2
263.12814	2.5
267.07205	9.0
281.08823	18.0
281.13858	14.2
299.04388	2.5
421.61902	0.9
460.56265	1.0
501.16544	11.3
527.18188	2.5
545.19012	100.0
546.19733	7.4
547.26062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
57.03451	1.6
59.01386	61.9
59.44900	0.4
60.01720	0.8
69.03464	0.6
71.01388	8.0
71.05025	0.4
72.19882	0.3
72.99328	0.5
73.02966	3.2
75.00843	0.7
81.03457	0.4
83.01390	1.9
83.05006	0.5
85.02960	3.8
87.00885	1.5
89.02453	5.5
91.01904	0.6
95.01408	1.0
96.96034	4.7
97.02990	0.8
97.58498	0.4
99.00891	1.0
99.04527	0.5
101.02451	4.6
108.64125	0.5
109.02925	0.6
111.00904	0.8
113.02467	3.4
115.04005	0.7
117.03427	0.4
119.03500	0.8
123.04544	0.6
125.02477	2.0
129.01955	0.5
131.03468	0.8
133.03079	0.5
135.00885	0.9
143.03543	0.4
148.05278	0.6
149.04575	3.2
150.04857	0.7
151.00383	0.8
151.05038	0.6
155.37637	0.3
159.03032	0.4
161.04565	1.1
161.09795	0.6
163.07693	0.6
165.04074	0.6
167.03465	0.5
171.13910	0.9
195.04575	0.4
197.06038	1.0
208.05342	0.9
209.06059	1.6
210.03320	0.4
211.04099	0.5
213.09166	1.9
215.07024	0.4
223.03976	0.8
223.13316	0.8
224.04800	1.5
225.05585	1.5
233.06741	1.1
251.03442	1.4
252.04224	2.1
253.05089	25.5
254.05383	1.1
279.02921	1.1
281.04578	100.0
282.04929	5.2
293.08707	1.8
295.10214	0.8
297.20566	0.5
309.03934	0.6
323.05530	0.7
341.26974	1.3
383.11423	0.5
437.28961	0.4
485.31281	10.5
486.31580	0.5
503.32391	6.3
504.32672	0.4
507.18759	5.4
545.21698	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	545.061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.2
59.01386	1.9
62.31433	0.1
69.29610	0.8
69.30029	0.5
71.01389	0.6
72.99300	0.2
73.02962	0.5
78.95405	0.2
79.95747	2.8
84.52782	0.1
85.02961	0.2
89.02446	0.3
89.22995	0.1
95.03365	0.1
96.96024	100.0
97.95940	0.3
99.04508	0.2
101.02451	0.6
113.02457	0.4
116.27405	0.2
134.03761	0.2
138.05666	0.2
148.41760	0.2
149.02496	0.1
149.48251	0.1
267.07315	0.2
327.05148	0.3
383.12027	0.2
447.09076	0.2
545.06360	0.2
545.19312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.2
59.01385	5.0
71.01391	1.9
71.55579	0.2
73.02955	1.8
79.95741	2.8
80.96523	0.2
83.01394	0.5
85.02954	0.4
87.00875	0.2
88.04065	0.6
89.02469	0.9
89.84290	0.1
96.96019	100.0
97.95953	0.3
99.00896	0.1
99.04541	0.2
101.02450	1.9
109.02918	0.2
110.24515	0.1
113.02452	0.8
115.00408	0.3
117.05607	0.4
119.03592	0.3
125.02488	0.2
131.03514	0.2
132.03017	0.7
143.03525	0.1
149.04553	0.4
159.04526	0.1
161.04602	0.8
164.04630	0.1
221.06696	0.2
231.54758	0.1
233.15492	0.4
250.14514	0.3
251.12888	0.2
285.04126	0.3
375.28571	0.1
431.19086	0.2
447.09296	0.2
527.17792	0.1
545.18726	0.2
545.26727	0.3
546.22003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85601	0.5
57.03450	1.6
59.01386	59.8
71.01393	7.5
71.54422	0.9
71.54813	0.6
71.93311	0.4
72.99281	0.8
73.02944	1.4
75.00873	0.9
82.74508	0.4
83.01402	1.8
84.75819	0.5
85.02966	3.4
87.00882	1.1
89.02464	4.9
91.01921	0.8
95.01399	0.8
96.96027	5.4
97.02953	0.7
97.06615	0.5
99.00887	1.2
101.02448	4.9
109.74773	0.5
111.79110	0.6
113.02464	3.9
115.04004	0.5
125.02454	2.1
125.57531	0.5
127.03516	0.4
131.03465	0.6
133.02963	0.8
135.00847	0.8
143.03517	0.8
148.05286	0.7
149.04558	2.5
150.04947	0.9
151.00435	0.7
152.06393	0.5
153.44574	0.5
161.04550	1.4
161.09727	0.7
169.93719	0.5
171.14018	0.9
185.06151	0.6
187.11259	0.5
197.06102	0.7
208.05229	0.8
209.06081	1.4
213.09187	2.1
223.04128	0.8
223.13496	0.7
224.04849	1.4
225.05528	2.3
233.06625	0.9
251.03447	2.0
252.04227	2.2
253.05078	25.1
254.05460	0.9
267.12485	0.7
279.03043	0.5
281.04572	100.0
282.04889	5.4
293.08801	1.9
295.10361	0.7
341.26968	2.1
347.34753	0.6
455.30225	1.0
485.31348	11.2
503.32361	5.8
507.18668	5.6
508.19501	0.8
509.19559	1.0
522.42798	0.6
545.21613	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14897	1.3
59.01380	7.9
67.69181	1.3
70.65599	3.4
71.01393	15.3
71.27079	1.4
73.02945	4.6
79.00027	1.5
83.01348	2.5
83.05038	5.3
85.02943	7.4
87.00896	1.6
89.02451	4.9
90.55201	1.2
91.39882	1.2
99.00881	3.8
101.02459	14.5
107.04955	1.7
111.06883	4.7
113.02432	5.5
115.03968	1.7
126.09266	25.9
128.10832	2.9
130.08736	3.9
149.04517	2.4
154.08784	1.4
161.04568	11.0
172.06253	1.6
174.07669	2.1
174.11389	12.5
175.18764	1.3
182.57538	1.4
186.11388	2.0
194.06227	1.8
202.10823	1.4
204.12421	100.0
205.12782	2.9
218.13963	7.4
237.09863	11.8
347.50610	1.4
369.14023	53.5
370.14224	4.1
408.11847	1.4
413.16608	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	543.3118
Annotation	Prorepensin
Peak:m/z	Relative Intensity
50.60564	0.7
79.05528	1.0
98.19878	1.7
107.05028	2.1
135.04546	1.5
136.90543	0.7
142.09818	0.7
159.04504	5.2
177.12794	0.9
183.11710	1.2
197.06062	3.8
197.09660	0.8
198.06723	0.9
199.07584	1.0
211.07716	3.8
212.08452	2.5
213.09203	1.6
225.09218	8.9
226.09955	1.7
227.10796	31.5
228.11151	1.4
237.09180	1.9
239.10785	1.5
240.87254	0.8
241.12305	0.9
244.07304	1.7
251.10835	1.0
263.10764	1.1
265.12521	1.0
275.11172	0.8
279.13873	4.7
281.15430	2.7
285.87387	0.8
301.12347	1.0
303.13837	2.0
315.13907	1.0
317.15482	8.2
318.00607	0.7
318.16086	1.9
318.98358	0.8
319.17026	3.0
335.19937	0.7
349.21759	2.1
350.15033	1.0
357.18671	1.2
363.23294	2.5
364.23541	0.8
371.20105	1.7
373.21777	4.9
374.22186	0.8
407.22321	9.7
408.22672	0.9
427.26498	1.4
429.20575	3.8
429.26892	1.4
439.26517	2.2
441.27982	36.7
442.28326	3.6
449.21164	2.0
485.26996	31.3
486.27466	3.0
499.32101	10.9
543.31177	100.0
544.31525	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	543.3121
Annotation	Prorepensin
Peak:m/z	Relative Intensity
50.50634	0.7
63.97124	0.7
69.69533	4.6
76.15742	0.7
79.05533	0.8
91.05784	0.8
91.06346	0.7
93.03468	0.8
97.17036	0.7
98.19904	1.3
103.09805	0.7
107.05020	1.6
107.91146	0.7
117.58031	0.7
119.05034	8.1
121.02998	5.5
122.03735	0.8
125.68484	0.8
135.04448	1.0
147.04535	1.0
147.59621	0.7
159.04524	0.9
171.04546	0.8
173.06056	0.9
177.12793	1.8
187.07626	0.8
197.09721	0.8
201.09109	1.0
211.07635	1.0
213.09190	0.8
217.08751	0.8
223.07469	0.9
225.09256	2.6
227.10818	1.3
235.07599	1.0
237.09221	2.3
239.10788	1.5
240.50832	0.6
249.09163	1.0
251.10835	1.0
256.00800	0.7
263.10486	0.7
266.16800	1.2
267.06540	1.0
277.12387	1.6
279.13956	2.0
291.13876	3.1
295.17188	3.3
309.18713	1.3
315.16348	0.8
317.15399	1.7
329.15555	0.8
331.17020	0.9
333.28183	0.9
335.12894	1.0
349.21826	2.4
359.20221	0.8
361.21808	1.2
385.21802	1.3
397.29340	0.9
399.23328	2.4
399.73489	0.8
421.27408	1.6
423.25522	1.2
439.26230	3.9
441.27908	3.5
455.33066	1.0
457.23044	0.7
469.30814	0.8
481.31168	1.3
499.32175	6.0
525.30048	7.9
526.30615	1.1
543.31195	100.0
544.31592	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	543.2816
Annotation	Pharboside C
Peak:m/z	Relative Intensity
51.39890	0.7
55.01879	0.8
57.03451	3.2
59.01387	20.0
61.98832	0.8
62.60404	0.6
67.01876	0.7
68.99818	0.7
69.03452	1.5
71.01389	16.8
71.55167	1.2
72.99317	5.6
73.02945	2.7
74.33037	0.6
75.00473	1.0
75.00879	15.3
82.52481	0.6
83.01382	1.5
83.32198	0.6
85.02959	21.2
87.00894	5.5
89.02464	4.8
95.01398	5.0
96.96009	1.6
99.00895	8.8
99.92577	1.8
101.02420	0.9
103.00375	2.1
107.14298	0.7
111.00849	1.0
113.02467	26.6
115.00366	1.2
115.92080	0.9
116.92875	8.4
117.01940	1.9
129.01952	1.4
131.03522	0.7
135.04565	0.9
139.00354	0.7
157.01472	1.2
160.16576	0.6
175.02481	4.2
179.11072	0.6
180.98729	0.7
183.10304	1.2
184.19864	0.7
195.13931	4.3
197.60832	0.8
205.07213	1.8
223.13509	3.4
223.17073	0.7
246.43826	0.6
249.06198	6.8
256.13141	0.9
257.13455	0.6
267.07202	5.9
275.20081	1.9
293.21262	24.2
294.21600	1.8
306.97128	0.8
395.17294	0.8
455.24338	0.8
525.26978	2.8
543.28137	100.0
544.28522	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	543.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59580	0.7
55.01867	0.9
57.03467	3.5
59.01115	1.0
59.01384	16.9
67.01886	0.8
68.99805	1.3
69.03453	0.9
71.01388	18.9
71.05025	1.3
72.99318	5.3
73.02938	2.2
75.00880	15.6
83.01389	1.4
85.02459	1.5
85.02957	23.6
87.00882	8.1
89.02446	5.0
95.01392	6.0
97.06619	0.8
99.00887	10.4
103.00380	2.9
107.01383	1.1
113.02457	33.3
115.00374	2.2
116.92873	7.2
117.01954	2.7
121.02964	1.1
125.02369	1.0
129.01947	1.6
131.92593	0.9
135.04541	6.4
139.00327	0.8
145.02936	1.2
151.00424	4.1
157.01408	0.9
161.02509	0.9
163.00366	1.4
175.02512	4.7
177.01802	0.7
193.03458	1.3
205.07213	2.3
213.09271	1.1
223.08221	1.5
223.17114	1.3
231.05025	1.0
233.19911	0.8
235.17036	8.0
243.06638	1.0
244.04974	0.8
249.06155	7.3
255.06522	1.9
267.07224	9.5
275.20172	9.0
287.05530	2.2
293.21255	20.3
294.21570	1.2
299.05463	0.7
407.07565	1.2
525.26813	2.7
543.13739	2.9
543.28119	100.0
544.28149	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	543.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03447	2.2
59.01387	31.4
60.70111	0.8
61.98819	2.9
64.55383	0.9
65.00323	3.0
67.01886	1.1
68.99821	1.5
69.03433	1.2
69.51157	2.6
69.51580	4.3
71.01015	1.4
71.01387	20.8
71.05016	1.0
72.99313	5.8
73.02947	2.3
75.00481	1.1
75.00882	18.5
83.01389	3.7
85.02959	23.4
87.00887	7.3
89.02453	4.8
89.29756	0.9
95.01402	6.2
96.96017	0.9
97.30320	0.8
99.00891	9.3
101.02452	2.4
103.00353	2.6
107.01392	4.3
109.02933	1.4
109.98714	0.7
112.01665	0.8
113.02457	29.3
115.00355	2.4
117.01936	1.6
125.02461	4.5
129.01944	1.2
131.03447	1.0
134.03790	0.9
135.00917	1.1
135.04535	27.3
136.04805	0.9
137.02348	0.9
139.00346	1.6
151.00392	19.7
157.01405	1.3
157.06644	0.8
161.02422	1.4
163.00368	6.4
168.16728	0.8
169.05206	1.1
171.10255	1.3
175.00337	1.1
175.02443	3.3
175.07622	1.3
177.01921	3.3
178.49753	0.9
201.05481	0.8
205.07140	1.9
209.11774	1.4
219.06633	1.5
223.08173	1.2
227.07074	0.9
235.17041	11.2
243.06613	2.3
249.06244	6.8
255.06638	4.9
255.18970	0.8
263.20059	1.2
267.07248	8.0
273.39032	0.9
275.20181	15.5
282.05304	2.5
287.05646	10.0
293.21304	13.8
294.21606	1.2
299.05585	2.4
311.05447	2.1
342.32330	0.8
381.09537	2.1
407.07681	3.2
525.26996	2.8
543.12921	11.5
543.28033	100.0
544.13379	1.8
544.28119	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	543.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01151	0.3
59.01390	3.5
69.66022	1.5
84.40905	0.3
92.68622	0.3
98.19864	0.3
108.02210	0.8
123.04519	0.3
134.03720	0.8
135.04523	0.3
149.02467	0.8
149.06058	1.9
151.03990	0.4
161.02467	0.9
161.09717	0.3
163.00351	0.4
189.09158	0.3
215.10672	0.4
223.08156	0.3
225.09227	42.8
226.09552	2.6
237.09222	11.1
239.10818	0.8
251.10800	2.2
263.10855	1.6
265.12256	0.4
272.10608	1.0
277.21713	1.7
281.08249	0.8
295.17044	47.2
296.17355	2.7
304.64807	0.3
321.18588	3.2
339.16013	100.0
340.16327	6.8
380.15991	0.3
471.21878	0.4
543.20276	10.9
544.20691	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	543.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
57.03446	4.8
58.00591	2.1
59.01384	100.0
61.98832	4.5
69.03438	1.9
69.17590	8.1
69.18016	3.5
71.01388	57.4
72.99305	4.7
73.02951	16.2
75.00884	1.4
80.96485	1.7
82.95448	1.5
83.01405	6.3
83.05024	1.8
85.02958	15.8
87.00874	4.0
88.98799	1.3
89.02453	61.6
93.03440	2.9
95.01401	4.5
96.96007	4.3
97.02954	1.2
97.06607	1.4
99.00871	5.5
99.04534	3.3
101.02452	40.2
113.01722	1.8
113.02460	24.2
119.03500	21.7
125.02444	2.7
125.38033	1.1
131.03513	9.3
135.02982	1.6
137.02426	7.2
143.03516	3.5
148.05318	29.6
149.04565	57.3
150.04933	1.5
154.99886	1.5
161.04582	7.7
161.13277	1.3
163.07661	35.5
179.05620	5.3
179.10838	1.3
187.11348	2.1
187.14935	13.5
187.76717	1.2
223.09689	2.1
231.13913	8.9
254.84656	1.1
321.17337	1.3
337.86554	1.5
411.20242	45.9
412.20627	2.9
543.24548	53.5
544.24658	5.0
548.83032	1.4
561.42749	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	543.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03742	0.2
54.68940	0.3
57.03456	0.4
59.01385	6.9
70.23248	0.9
71.01386	6.7
73.02947	5.8
82.25066	0.3
83.39629	0.3
85.02981	0.7
87.00874	2.0
89.02453	30.1
96.96054	0.5
99.04583	0.3
101.02450	1.5
101.54661	0.2
103.00404	0.5
103.04001	2.5
113.02476	0.8
116.92876	0.4
117.05639	0.3
131.03517	8.1
139.08777	0.3
147.04529	0.7
148.05319	55.3
149.04567	100.0
150.04892	1.8
152.07175	0.5
158.85437	0.3
161.04611	0.5
163.07660	56.5
164.08015	1.9
186.58881	0.3
239.44389	0.3
257.07593	0.3
367.13947	0.7
543.15784	0.3
543.22992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
60.04615	0.8
61.98829	4.1
70.10309	2.1
73.89530	0.8
78.24493	1.0
80.72661	1.0
91.01936	1.4
93.03477	1.1
95.01398	1.4
96.96007	4.0
100.73946	1.0
107.01376	1.2
107.05043	2.2
108.02176	4.5
109.06619	2.1
119.05036	5.0
123.00883	8.1
123.04523	3.8
125.09694	1.8
128.48694	1.1
134.51187	1.2
135.00883	8.4
135.04500	3.7
136.01654	2.1
148.01656	1.1
153.01967	2.1
159.08202	1.4
161.02478	3.7
162.03241	1.5
162.81839	1.0
162.99013	2.2
163.00395	38.6
175.03996	2.8
177.05603	2.2
178.02740	9.4
179.03255	1.1
187.71779	1.1
189.01949	6.1
198.06882	4.8
201.05579	3.1
205.05095	1.6
213.09251	3.0
216.07954	2.8
225.05640	1.5
225.09206	11.8
226.06393	1.9
226.09970	3.3
227.10736	2.8
227.14424	7.9
231.10301	26.8
237.09190	1.7
241.08733	1.3
241.12399	1.3
243.06865	1.4
243.10023	1.2
259.09747	5.8
276.19772	1.0
277.21832	1.1
295.17181	5.2
315.16068	11.7
321.18594	4.5
339.16052	1.9
349.18021	1.8
392.13162	1.0
407.18646	4.3
439.82367	1.0
484.46310	1.0
499.21274	2.1
543.20294	100.0
543.30725	8.3
544.20526	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	543.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99157	1.7
51.79973	1.7
59.01385	29.3
61.98839	3.5
69.32526	11.6
71.01394	14.1
73.02956	8.8
80.96548	2.1
82.95415	10.4
83.01402	3.4
85.02959	6.7
87.00873	2.3
89.02447	10.3
96.96047	2.6
99.00903	5.8
101.02450	7.4
102.84438	2.2
113.02457	9.0
125.02462	2.0
148.05315	82.1
149.04549	12.9
149.05620	3.5
151.00398	3.1
161.04623	5.4
163.07658	100.0
164.08025	4.1
253.52486	2.0
381.09811	3.0
405.10056	2.0
423.10977	4.6
457.17105	14.6
499.18292	25.0
543.15002	7.5
543.21844	3.2
543.76776	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	543.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.61429	0.9
57.03454	41.3
59.01386	100.0
61.98840	6.1
67.14273	0.9
69.03462	1.2
70.66190	1.7
70.66497	1.6
71.01393	35.9
72.49589	1.0
72.99332	3.0
73.02947	17.3
81.03465	1.7
82.95435	1.6
83.01394	7.3
83.05038	1.4
85.02956	16.8
87.00896	4.3
89.02457	10.9
95.01407	2.2
96.96037	2.7
97.02939	1.4
99.00877	8.6
99.04533	48.3
101.02459	29.2
109.02966	0.9
113.02466	18.4
119.03536	2.8
121.02972	1.8
123.04493	1.1
125.02461	19.5
128.89958	1.2
131.03499	3.3
135.04523	1.2
143.03506	7.2
148.05321	3.2
149.04559	3.1
161.02435	2.0
161.04597	9.7
163.07655	1.8
173.04573	1.0
179.05643	1.6
200.10306	1.1
200.53703	1.1
203.04008	1.1
255.03094	1.6
269.04507	6.0
277.10797	1.9
297.03973	3.8
298.04947	2.9
313.03479	2.4
332.30225	1.1
381.09818	1.9
383.16467	1.1
395.11462	1.8
399.23856	11.2
410.47324	1.2
423.10739	7.3
441.24915	3.0
446.08371	5.0
477.61255	1.3
483.29489	3.8
501.30759	2.2
543.14496	8.3
543.21423	1.7
543.33038	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	9.7
59.01385	92.1
61.98808	1.9
62.79519	2.1
68.99808	2.8
69.03452	3.0
69.37669	4.0
69.38071	8.2
69.77126	1.7
71.01389	35.9
72.99324	9.5
72.99638	1.8
73.02947	9.3
75.00874	21.2
81.03428	2.2
83.01376	3.9
83.05019	2.2
84.33572	1.6
85.02463	2.3
85.02956	38.5
87.00886	12.5
89.02454	19.4
89.03939	2.0
95.01392	8.6
96.95982	4.9
97.02963	2.1
98.20713	3.9
99.00304	2.3
99.00884	21.6
99.04482	6.7
101.02452	11.0
103.00357	4.9
113.02461	47.8
113.06091	1.9
114.02757	2.1
115.00371	3.3
117.01895	5.0
117.03445	5.5
117.05578	32.6
121.89415	1.8
125.02431	6.8
129.01897	4.0
130.08707	2.1
131.03470	4.1
133.02977	3.2
134.03757	73.7
137.02432	4.5
149.04588	8.2
149.06032	6.5
160.01651	12.2
161.02448	3.7
161.04491	5.0
161.05951	1.6
175.02458	5.3
175.03975	16.7
193.05077	45.6
194.05238	2.1
205.07001	2.5
223.68289	1.6
231.05023	3.2
249.06134	26.0
267.07220	19.3
274.36459	1.7
277.07095	1.9
309.08258	23.0
338.54025	1.8
349.11215	7.1
367.12445	100.0
368.12399	3.5
381.12070	2.6
396.29773	1.6
423.12347	2.0
425.10657	6.6
443.11807	12.9
457.26627	2.0
485.13080	12.1
525.16119	6.7
543.16980	98.4
544.17542	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	542.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67578	0.9
57.03445	1.4
59.01113	1.4
59.01386	19.9
61.98835	9.2
69.39859	0.9
71.01390	8.1
71.39285	2.4
73.02955	2.9
75.00889	1.1
83.01382	1.7
85.02968	2.3
87.44985	0.9
89.02465	4.6
96.96014	2.9
99.04597	1.2
101.02451	4.2
113.02459	3.8
114.01488	0.9
125.02444	1.4
136.07664	1.4
149.04564	1.2
161.07210	3.4
203.03574	1.5
219.06619	1.1
247.02345	1.2
257.13077	1.0
278.13034	1.7
281.04568	1.5
292.10999	2.1
294.13010	1.1
294.16113	1.6
302.12909	1.5
304.10901	3.4
305.11725	1.7
306.12674	2.1
306.16113	4.7
307.13516	1.4
308.14069	4.7
308.17325	1.6
316.14542	1.1
318.12390	2.9
318.16162	13.0
319.13376	3.0
320.14044	4.7
321.14978	1.3
324.13831	1.3
332.14066	3.6
332.17770	4.5
333.14911	1.9
334.11945	2.5
334.15640	6.2
336.13339	1.9
336.17120	14.1
344.14084	1.4
346.12158	2.2
348.13358	1.6
348.17145	12.5
350.11176	2.1
350.15131	2.4
360.13324	1.6
360.17215	8.1
361.14108	1.5
362.15231	8.3
366.14749	4.4
375.11948	1.6
376.12396	1.6
376.16873	9.1
378.18231	8.8
380.16211	4.3
386.15063	1.5
394.17676	1.6
404.16211	29.9
404.24579	1.3
405.09341	1.5
405.16968	1.8
406.14117	2.0
410.13577	4.4
422.17230	22.0
423.17462	1.4
424.15399	1.5
430.14206	4.0
433.09219	1.6
438.16864	2.2
439.17062	1.6
448.15146	100.0
449.15494	8.9
462.17038	1.4
466.16055	4.7
480.17596	4.8
482.15848	2.0
483.16721	3.1
492.14053	7.3
524.16925	8.1
542.17853	65.7
543.17847	5.8
543.25183	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	541.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23121	1.3
71.55102	1.9
77.34783	1.1
82.10219	1.1
119.05029	1.7
125.91311	1.1
133.54730	1.2
146.58804	1.2
182.51897	1.3
210.06848	2.5
225.09198	4.5
249.09204	1.5
301.12381	1.4
315.13669	1.6
316.14682	17.0
317.15372	11.7
325.53824	1.4
333.18570	2.1
355.17014	3.2
369.18701	1.8
439.26437	78.5
440.26578	7.8
483.25439	65.6
484.25961	8.7
497.30545	4.5
541.29614	100.0
542.29858	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	541.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35567	0.9
61.98843	1.7
71.55112	1.0
71.55546	1.2
76.43169	0.9
83.05017	1.2
96.95981	1.1
98.79523	1.2
99.92593	30.6
100.93371	1.2
107.05038	1.5
108.02185	3.6
115.92091	15.2
116.92109	1.8
116.92877	17.0
119.05019	1.1
123.04495	1.6
131.05063	1.0
167.03491	7.0
169.93146	3.9
180.19186	0.9
206.93727	1.1
213.09239	1.2
215.44392	1.0
221.09782	1.1
222.97041	2.5
223.07484	1.8
225.09148	3.0
227.10680	1.0
234.97029	5.2
235.07700	1.8
237.09343	3.6
243.17584	1.2
248.08235	1.0
249.09215	7.3
249.95700	3.2
260.98544	1.0
261.09229	3.5
266.96011	2.5
275.10696	1.1
287.10919	1.3
289.12326	1.8
295.16858	2.3
303.13910	1.7
309.43869	1.1
315.14313	1.0
339.16205	7.7
357.18765	3.1
363.23163	1.3
371.20602	1.7
373.11124	28.4
374.11481	4.1
397.17822	1.3
401.17239	1.6
417.20782	2.5
497.30679	11.3
507.25394	1.4
523.28571	28.6
523.36328	1.7
524.28729	2.5
541.15442	7.7
541.29614	100.0
542.30029	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	541.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	3.4
62.56651	0.8
69.23770	8.1
71.61755	1.0
79.44304	1.0
80.33046	0.9
96.01097	0.8
107.05023	1.4
119.05048	3.5
154.87408	0.9
159.04489	2.4
197.09631	1.0
211.07721	1.0
223.07617	4.2
224.08182	1.2
225.09138	2.1
235.07642	2.1
236.08130	1.0
237.09157	1.5
248.08330	1.8
249.09314	2.3
277.12399	6.6
301.12341	2.2
315.13965	10.1
316.14523	1.7
369.18686	1.2
371.20248	4.6
413.17078	1.0
437.24628	1.1
439.26434	2.9
497.30673	35.5
498.31094	3.4
536.35394	1.0
541.29620	100.0
542.29993	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	541.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15005	0.8
56.18186	1.0
57.03449	10.6
59.01385	33.5
61.98841	5.0
69.16784	4.3
69.17217	4.9
71.01386	7.4
73.02948	3.1
79.05556	1.6
83.01426	2.3
85.02950	3.4
87.00894	1.9
89.02451	2.8
93.03451	1.3
95.01382	1.1
98.20674	2.2
99.00919	1.0
99.04540	8.6
101.02445	6.8
107.05045	9.0
108.02232	1.0
113.02446	3.2
119.03582	1.3
123.00893	5.4
125.02422	5.2
133.02972	2.6
138.03203	1.8
138.37788	0.9
145.03021	0.9
148.01694	1.8
149.02435	1.3
157.06610	7.8
159.04477	4.7
160.05388	1.3
161.01144	2.1
161.02461	36.8
161.04564	2.3
162.03244	37.6
163.00377	2.2
163.03687	1.3
173.06020	1.6
175.07655	88.9
176.01062	1.0
176.04787	4.2
176.07999	2.2
177.05577	9.6
187.04004	4.0
187.07599	1.2
189.01945	3.0
190.06383	1.8
191.03444	1.8
201.05592	11.6
202.06241	2.3
239.67406	1.1
240.04256	1.0
271.06104	2.1
293.08264	1.0
307.09818	1.5
319.09750	2.3
335.09149	1.3
347.09201	3.0
363.08813	18.1
364.09576	13.3
378.11099	4.4
379.11893	100.0
380.12283	7.7
397.22217	2.2
481.27911	1.3
499.28723	1.3
541.10010	3.3
541.17426	20.7
541.30902	3.7
542.17957	1.9
542.44507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.6
69.67973	2.4
69.68383	7.4
71.39855	1.4
75.60352	1.4
83.30657	1.3
83.54086	1.2
84.93936	1.4
87.30637	1.3
99.92595	100.0
100.92683	2.7
100.93393	3.4
107.05035	1.9
108.02196	13.8
115.92088	51.7
116.92873	70.9
117.92879	2.5
123.00928	1.8
123.04512	7.5
135.04523	3.2
152.01216	1.6
158.03746	1.4
167.03561	16.4
169.93129	13.6
190.98097	2.3
191.95116	2.2
207.94679	1.9
213.09181	2.2
222.97066	56.8
223.97195	2.7
225.09264	1.8
234.97043	92.5
235.97342	4.3
243.17561	4.2
249.95734	12.7
250.96510	10.7
251.97264	2.2
266.96036	18.9
274.32996	1.5
300.59042	1.4
339.16061	2.1
346.20416	1.4
373.11066	25.1
374.11685	8.9
439.26489	2.6
478.16788	1.8
479.15668	2.4
479.29056	2.1
497.31052	3.0
523.14276	5.3
523.28766	2.2
541.15479	91.2
541.29169	36.2
542.15503	14.4
542.30182	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	540.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28353	0.5
55.86838	0.5
59.01382	3.8
59.47272	0.5
61.09614	0.5
61.98835	0.9
62.77203	0.5
69.94686	2.7
71.01383	1.8
73.02972	0.7
85.02967	0.8
89.02460	0.7
94.06637	2.7
98.19888	0.7
99.00888	0.8
101.02423	1.1
106.06679	0.8
107.03779	8.0
110.02505	1.0
112.04044	2.2
113.02497	0.6
116.05085	7.2
120.04541	2.0
122.06132	48.8
123.03268	5.0
123.06480	0.7
124.04066	3.5
130.02945	0.9
132.04565	6.6
134.06082	1.5
138.05618	16.5
139.02736	1.8
140.07184	0.9
150.05652	0.9
152.07184	100.0
153.07544	2.8
158.02492	2.6
160.04051	24.3
160.05391	1.2
161.04526	1.3
164.07155	6.2
166.05109	1.2
172.04099	1.2
176.03494	0.8
182.04543	0.9
183.05331	0.9
184.06161	3.5
188.07094	0.8
190.05122	15.8
192.06673	73.0
193.05388	0.5
193.07042	2.6
204.06686	1.8
212.10918	1.0
233.24907	0.6
233.74391	0.6
255.11400	2.4
266.06738	0.6
267.11465	1.7
272.09317	0.7
281.09290	2.0
293.09311	1.5
295.10852	0.8
297.12506	1.2
299.10187	0.8
323.10446	1.1
325.11954	21.9
326.12454	0.8
329.14954	1.3
355.12988	14.4
356.13263	0.7
357.14566	64.5
358.14883	4.4
391.26974	1.0
392.27420	1.6
420.19363	1.3
432.92401	0.6
436.15186	1.8
437.17218	1.0
446.17331	2.6
464.18304	15.2
465.17438	3.0
468.17819	2.2
478.19916	1.6
490.16364	2.7
496.20941	2.0
498.26529	0.9
499.46368	0.7
508.17282	26.7
509.17575	2.5
522.18976	4.4
540.20001	11.9
541.21051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42908	0.6
52.60217	0.6
58.74284	0.6
59.01376	2.2
61.98844	0.8
63.37541	0.6
69.41430	4.4
71.01400	1.2
77.86005	0.7
82.10864	0.6
89.02422	0.7
94.06632	1.4
98.19926	1.5
107.03757	7.2
110.02461	0.7
112.04057	2.4
116.05061	7.3
120.04575	1.2
122.06132	47.8
123.03280	5.3
123.06493	0.8
124.04073	4.0
130.03012	0.8
132.04572	6.9
134.06117	1.9
138.05606	16.2
139.02747	2.0
150.05614	1.1
152.07182	100.0
153.07520	2.0
158.02460	4.0
160.04048	26.6
161.04375	1.4
162.05659	0.9
164.07135	5.6
166.05107	0.9
174.05617	0.7
182.04678	0.8
183.05449	0.9
184.06062	2.9
189.57744	0.6
190.05104	13.4
192.06673	72.4
193.07013	2.7
204.06633	1.9
251.08253	0.7
255.11441	2.6
256.09622	1.2
265.09766	0.7
266.07230	0.7
267.11487	1.2
268.83429	0.7
281.09402	3.7
293.09238	1.6
297.12463	1.4
299.10431	1.1
320.23343	0.6
323.10318	1.0
325.11929	34.4
326.12277	2.8
355.12955	15.6
356.13400	1.0
357.14569	59.1
358.14972	2.9
392.10226	0.7
420.19363	1.5
437.17197	1.0
446.17169	4.0
464.18274	12.8
465.16989	2.8
468.17780	2.1
471.47629	0.8
478.19925	1.5
490.16138	3.3
496.20959	1.8
508.17310	17.8
508.24594	1.2
509.17661	1.4
522.18634	4.9
540.19891	6.6
541.20306	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.5
59.95898	0.5
61.98833	4.8
63.21827	0.6
69.00224	0.5
69.30508	0.5
70.68984	0.8
70.69321	1.3
71.01404	1.1
82.96667	0.6
96.96026	1.4
100.02852	0.5
100.17049	0.6
101.02477	0.7
102.08035	0.5
107.03793	0.8
108.08199	6.0
121.05350	7.2
135.03273	1.6
136.07692	100.0
137.08047	1.8
150.01944	1.0
152.03522	1.2
153.04327	4.0
158.70665	0.6
210.49638	0.6
213.10367	1.2
222.07986	1.0
223.06549	0.8
223.08655	1.0
225.06659	1.2
225.10220	1.3
226.07603	0.6
234.08060	0.9
235.08672	0.8
237.06694	1.9
237.10252	4.0
238.07457	2.2
238.09053	0.6
239.08316	1.6
251.08328	5.1
252.05185	0.8
252.08992	1.6
253.09839	6.4
263.08261	2.0
265.06204	6.0
265.09763	2.9
266.06979	12.1
267.07538	0.7
267.11417	0.9
270.11481	0.7
277.06290	0.9
278.06995	5.8
279.07764	4.1
280.08524	4.2
281.09338	49.6
282.09656	2.2
284.08255	0.8
292.08652	0.7
293.09341	31.0
294.09937	4.4
313.11877	5.3
387.16275	0.6
402.18231	4.4
408.01062	0.6
430.17725	62.8
431.18039	4.9
434.20862	1.6
462.20389	25.4
463.20755	2.0
474.16705	33.0
475.17224	2.5
488.18542	0.7
506.19357	47.7
507.19476	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	538.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92182	0.6
59.01386	41.8
61.98836	100.0
65.57130	0.5
70.01729	1.9
70.02132	1.3
71.01364	3.1
73.02933	1.2
74.00430	0.6
85.02956	1.3
89.02471	2.0
89.34258	0.6
100.91128	0.5
101.02455	2.6
111.15997	0.6
113.02467	1.8
119.03484	0.7
161.04572	0.7
187.67587	0.6
264.02258	0.5
389.21765	2.9
431.22937	8.2
433.21112	0.9
433.43021	0.5
537.32874	1.3
538.33270	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.4
61.98819	1.8
62.16620	0.5
69.75098	1.0
69.75507	2.6
86.20971	0.6
96.96007	0.8
98.20576	0.7
108.08214	5.2
109.70943	0.5
121.05344	5.8
132.04562	2.3
133.85060	0.5
136.07693	100.0
137.08029	2.5
152.03551	1.5
153.04318	3.5
190.05121	0.7
209.11015	0.6
210.09454	0.8
213.10316	3.1
222.07971	1.5
223.06532	0.6
225.06714	1.9
225.10306	1.0
237.06662	1.4
237.10342	10.6
238.07553	2.1
238.10785	0.8
239.08221	1.1
250.08910	0.6
251.08215	4.4
252.05382	0.9
253.09860	5.0
254.10568	1.1
263.08264	1.9
265.06189	6.8
265.09714	2.5
266.06982	10.2
270.11261	0.7
275.08362	0.9
277.06213	1.4
278.06821	4.1
279.07828	2.9
279.11169	0.6
280.08633	3.9
281.09329	42.4
282.09665	3.0
284.08170	1.1
293.09326	22.4
294.09958	3.4
313.11951	7.0
325.11929	1.4
362.18967	0.6
386.18744	4.2
400.12982	0.6
402.18253	2.5
405.17148	0.5
430.17728	30.7
431.17987	2.4
434.21619	1.2
462.20352	47.8
463.20447	5.5
474.16653	12.7
475.16922	1.5
494.23059	7.1
506.19336	47.1
507.19638	4.0
538.21924	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	538.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31696	0.4
59.01386	40.5
60.01712	0.5
61.98836	100.0
69.82439	0.4
71.01393	2.6
71.54583	0.5
73.02940	0.6
83.01384	0.5
85.02952	1.3
87.00900	0.7
89.02463	1.1
101.02461	1.6
113.02480	1.4
119.03431	0.6
119.58878	0.4
122.06193	0.6
125.74468	0.4
155.91760	0.4
157.77539	0.5
161.04599	1.0
196.11893	0.5
334.05270	0.5
389.21844	3.1
431.22882	8.5
432.23532	1.0
537.32959	1.2
538.33301	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	537.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40469	0.6
55.01884	3.3
57.03450	5.2
58.00590	2.1
59.01385	47.5
61.98838	2.6
68.27122	0.6
69.03452	1.2
71.01388	33.8
71.05030	2.7
72.99291	1.7
73.02951	12.1
75.00890	2.1
81.03445	1.4
83.01404	4.6
85.02962	17.9
85.06584	1.1
87.00887	3.2
87.04531	0.8
89.02450	19.4
93.07088	4.0
95.01401	2.7
95.05031	0.7
96.96038	1.9
97.06593	1.3
99.00906	3.7
99.04530	4.2
101.02451	26.8
101.06100	0.7
103.14601	0.7
106.70911	0.7
109.06638	1.7
111.00906	1.4
111.64898	0.8
113.02464	14.0
119.03513	7.2
123.08154	0.6
125.09666	0.7
127.07648	1.4
129.01941	1.0
129.09225	2.6
140.67705	0.8
143.03542	1.1
143.10777	2.8
147.11847	0.7
149.04608	1.4
153.09190	0.8
153.12920	0.7
156.49658	0.8
159.02946	1.6
161.04570	5.1
163.11292	2.3
179.05589	0.8
181.12354	13.1
195.13969	0.9
197.15489	1.6
213.09225	1.4
215.13008	0.9
215.16530	8.3
225.11331	35.2
226.11708	2.5
231.12437	0.9
243.12454	1.5
245.17584	10.3
281.05661	2.3
296.08093	2.1
297.08755	1.8
315.25415	1.3
328.10800	0.7
375.27524	18.7
376.27911	1.6
389.25455	5.1
405.17606	21.8
405.25183	1.7
406.18127	1.6
407.22949	8.5
462.17041	0.9
477.23987	0.8
477.30426	0.8
494.19138	0.9
507.32547	1.0
511.40994	0.8
519.32306	1.1
537.22192	12.7
537.32886	100.0
538.20068	1.0
538.33203	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	537.2556
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
52.16047	0.4
55.01882	1.2
57.03449	1.2
58.00595	2.4
59.01385	62.1
61.98844	0.5
69.03463	0.9
69.66591	2.0
69.67015	1.3
71.01388	47.5
72.01727	0.8
72.99319	2.6
73.02954	16.0
75.00869	1.0
83.01385	2.9
85.02959	8.7
87.00889	2.7
89.02453	79.4
90.02789	0.9
95.01405	1.3
96.27708	0.6
97.02956	1.5
98.19912	1.0
99.00893	21.5
99.04503	0.9
101.02451	31.8
102.02740	0.6
109.02930	0.7
113.02457	12.3
115.04036	1.4
119.03514	10.3
125.02467	4.8
131.03514	11.5
133.05093	1.1
139.07710	1.4
143.03537	2.6
149.04567	35.6
150.03195	0.8
150.04944	0.6
153.09262	2.7
161.04555	4.7
165.05658	0.6
179.05611	4.2
191.05623	9.0
193.05025	1.0
209.11815	0.6
221.06729	2.6
233.06737	1.8
243.15945	1.4
251.07852	3.4
269.20334	0.6
293.08871	2.0
303.69806	0.5
311.09991	0.8
357.67490	0.5
375.16702	0.7
389.18231	1.0
404.40262	0.8
405.21365	7.1
406.21704	0.8
447.14069	2.2
449.19879	0.6
465.19769	2.3
519.24725	2.5
537.25555	100.0
538.18018	0.4
538.25897	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	537.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59628	0.9
55.01875	2.6
57.03445	2.7
57.09023	1.0
58.00615	1.1
59.01386	51.9
61.30688	1.0
61.98825	4.1
69.03484	1.1
71.01393	27.7
72.99321	2.2
73.02961	12.3
75.00879	3.0
83.01414	3.2
84.77412	1.1
85.02969	9.8
85.06605	0.9
87.00878	1.4
87.04469	1.4
89.02456	23.6
95.01389	2.5
95.05041	1.3
96.96005	1.7
97.06579	2.0
98.19849	1.8
99.00903	2.5
99.04559	1.7
101.02449	16.2
113.02461	12.0
119.03519	8.7
131.03546	1.0
139.11299	1.0
146.04071	1.0
149.04536	2.8
161.04610	2.1
163.11287	4.9
179.05605	1.8
181.12355	40.7
183.10225	1.5
201.11386	1.1
225.11340	100.0
226.11720	4.5
231.12433	1.2
243.12381	2.2
245.17513	2.3
296.38531	0.9
356.28702	1.0
357.15509	1.3
375.27301	2.7
381.90298	1.0
389.25482	8.6
405.17664	70.8
405.25049	3.3
406.18008	5.6
407.23056	2.1
433.24323	2.1
534.13611	1.1
537.21893	41.2
537.32599	24.6
538.22174	4.1
538.33319	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	537.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83171	0.8
53.13129	1.1
55.01881	1.5
57.03440	1.7
58.00592	2.0
59.01387	46.7
61.98824	1.2
63.24009	1.0
69.79485	4.0
71.01389	24.7
72.99324	1.7
73.02952	9.9
75.00886	2.3
78.50851	0.9
78.98959	1.0
83.01401	2.9
85.02946	7.8
87.00867	1.2
89.02452	26.9
95.01395	2.2
95.05012	1.4
96.96001	1.4
98.20616	1.4
99.00902	1.6
99.04513	1.6
101.02448	14.3
108.01363	0.9
113.02467	9.4
119.03503	7.9
149.04552	2.7
161.04558	2.1
163.11255	4.1
172.61342	1.0
179.05614	2.6
181.12366	39.3
207.10234	1.6
215.16429	2.1
225.11328	100.0
226.11662	4.0
243.12292	2.1
245.17577	1.5
357.15582	2.7
375.27448	2.9
389.25479	2.3
405.17664	75.5
406.17892	3.7
407.22910	2.2
537.21832	47.6
537.32697	26.8
538.22015	4.4
538.33191	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83171	0.8
53.13129	1.1
55.01881	1.5
57.03440	1.7
58.00592	2.0
59.01387	46.7
61.98824	1.2
63.24009	1.0
69.79485	4.0
71.01389	24.7
72.99324	1.7
73.02952	9.9
75.00886	2.3
78.50851	0.9
78.98959	1.0
83.01401	2.9
85.02946	7.8
87.00867	1.2
89.02452	26.9
95.01395	2.2
95.05012	1.4
96.96001	1.4
98.20616	1.4
99.00902	1.6
99.04513	1.6
101.02448	14.3
108.01363	0.9
113.02467	9.4
119.03503	7.9
149.04552	2.7
161.04558	2.1
163.11255	4.1
172.61342	1.0
179.05614	2.6
181.12366	39.3
207.10234	1.6
215.16429	2.1
225.11328	100.0
226.11662	4.0
243.12292	2.1
245.17577	1.5
357.15582	2.7
375.27448	2.9
389.25479	2.3
405.17664	75.5
406.17892	3.7
407.22910	2.2
537.21832	47.6
537.32697	26.8
538.22015	4.4
538.33191	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.6
61.57330	1.4
61.98851	6.8
71.01383	5.0
71.53824	1.7
73.02958	1.2
74.64923	1.4
83.76872	1.3
87.00864	1.7
89.02464	4.1
96.96016	13.2
99.00885	2.5
101.02447	2.3
113.02492	3.0
121.53699	1.2
123.04543	51.6
124.04871	1.5
129.52522	1.3
135.04532	1.5
142.72052	1.4
149.04599	2.8
149.06119	2.1
153.05595	100.0
154.05908	1.8
161.04527	2.3
175.02463	1.4
189.05537	2.5
193.04979	1.6
217.05116	2.2
266.75696	1.4
267.06757	2.0
297.11484	2.9
315.10904	44.7
316.11206	3.4
325.99475	1.4
339.07141	10.2
345.13541	1.5
371.82312	1.4
375.14413	2.3
454.74869	1.4
468.84671	1.4
501.12189	3.2
537.17297	2.0
537.25378	2.3
538.17029	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	537.1556
Annotation	Agrostonidin
Peak:m/z	Relative Intensity
59.01377	1.1
61.98819	1.1
71.55064	1.1
82.56547	0.8
96.96019	1.7
108.02146	1.1
117.03476	1.5
121.02956	2.1
131.01401	0.9
132.02191	3.3
133.02959	4.3
134.03757	1.3
149.06073	2.4
167.05031	2.6
171.04565	0.7
175.00438	2.1
175.03955	1.0
183.04524	3.5
184.05380	1.1
195.04501	6.5
196.05292	1.7
211.04034	7.7
212.04787	4.5
222.06984	1.5
223.03983	5.8
224.04817	9.7
237.09206	2.0
238.02777	0.7
239.03505	23.4
239.07150	1.5
240.04182	3.3
251.03432	1.4
255.10289	19.4
256.03821	3.0
260.95734	0.7
267.03003	31.7
267.67294	0.7
268.03757	33.2
269.04144	1.5
282.05350	100.0
283.06128	76.1
284.06482	3.2
342.60999	1.0
537.29413	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	537.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49852	1.7
57.03473	1.8
58.73821	1.1
59.01380	12.2
61.98827	1.6
71.01390	8.3
71.35315	3.4
72.99313	1.9
73.02961	3.9
75.00881	2.2
84.54912	1.3
85.02956	4.1
89.02455	8.6
101.02435	3.6
109.02985	2.6
113.02480	5.2
113.82333	1.2
122.06134	3.8
129.78513	1.2
130.00858	1.3
130.01891	1.3
131.03554	1.9
134.03773	1.5
136.01672	2.5
136.07669	1.5
147.03194	1.3
148.03967	1.5
149.02493	1.6
149.04562	2.9
150.03188	2.6
150.05600	1.5
151.04033	3.9
160.04135	7.6
161.04706	2.7
162.05699	2.4
165.05602	1.8
176.03569	1.6
178.02818	1.6
180.86360	1.3
188.03632	1.4
189.04327	3.5
190.05064	2.7
190.92862	1.3
191.07147	2.9
193.05072	3.9
195.06686	3.1
204.06664	1.4
212.07120	1.3
213.10194	1.7
219.05345	2.6
220.06175	4.2
229.13434	4.1
239.08423	2.2
241.06509	1.2
241.09749	2.3
242.34770	1.2
247.04865	5.3
248.05560	3.0
254.10527	2.2
255.11386	3.2
256.08621	1.8
257.09320	3.2
257.12985	1.5
260.02164	1.6
266.06915	1.9
267.06821	2.5
267.11395	3.8
269.09512	2.0
269.12973	5.9
278.06619	2.1
279.07513	2.8
280.08585	3.1
281.09091	1.6
283.10962	2.8
285.08789	1.7
285.12524	1.8
286.12772	1.7
287.14081	3.7
295.10782	6.6
297.08615	2.1
297.11685	1.8
299.10385	4.1
311.10425	2.7
312.10248	2.6
313.12006	4.2
315.09631	1.4
327.12613	12.4
331.12875	2.1
341.10855	2.0
343.12997	1.6
345.13834	3.2
353.11407	3.5
371.12552	4.0
375.14731	2.2
387.12000	2.8
397.10001	1.5
403.15021	4.0
415.11313	2.5
417.13260	9.2
447.14114	100.0
448.14520	6.7
459.14099	8.1
477.15112	9.5
483.14090	3.5
501.15530	6.2
519.16534	3.0
537.17322	32.6
537.25513	3.4
538.17474	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	537.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.9
57.03458	3.9
59.01386	25.8
60.99318	16.7
61.98853	1.6
69.03429	1.6
69.17167	2.8
69.17569	8.1
69.46619	1.0
71.01389	16.8
73.02959	9.4
75.00899	2.9
83.01409	3.6
85.02966	8.6
87.04542	1.3
88.98814	97.5
89.02468	9.0
95.01434	1.0
97.06630	2.0
99.00916	2.5
99.99889	1.2
101.02460	15.8
111.00945	1.3
113.02463	8.0
119.03538	4.6
133.03000	2.1
143.10802	1.3
146.52281	1.1
149.04527	1.0
151.00412	1.3
152.73441	0.9
159.03069	1.4
161.04594	2.5
163.35292	1.1
164.41762	1.0
165.48781	1.3
173.43513	1.2
175.04083	2.0
181.12344	1.6
185.11824	1.1
199.03978	1.5
201.11411	2.3
217.05119	1.1
223.09711	1.5
225.11467	1.2
225.14983	1.0
227.03572	1.1
245.17554	6.9
256.03757	2.0
284.03302	38.9
285.04056	98.0
286.04602	3.3
349.42874	1.2
375.27563	7.4
389.25549	10.2
405.17313	2.4
405.25220	4.0
407.22906	5.5
447.09332	100.0
448.09525	7.2
537.22156	4.0
537.33087	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21958	0.7
59.01388	15.6
60.99049	1.0
60.99315	10.3
61.98829	2.9
65.43108	0.7
68.36179	0.8
71.01389	7.9
72.99319	1.0
73.02958	2.4
75.00874	3.4
83.01379	1.5
85.02955	2.5
87.00885	1.0
88.98816	51.2
89.02460	7.5
101.02451	3.3
101.50484	0.6
109.02947	2.4
113.02457	2.9
119.03503	2.2
119.05120	1.0
121.02985	1.1
125.02464	1.7
127.07742	0.7
133.02957	9.2
134.03792	0.9
135.04546	1.0
147.04570	0.8
149.02420	2.3
149.04581	2.4
150.03264	1.3
151.04019	0.9
161.02419	1.4
163.00352	1.7
163.03978	3.3
165.01952	2.4
165.05527	1.3
166.46620	0.8
175.04010	2.4
179.05649	1.0
179.10793	1.9
181.12392	5.9
191.03517	2.0
193.01439	1.4
193.05170	1.3
199.04048	1.1
201.01956	1.4
213.05618	0.9
223.09779	2.1
224.10114	1.2
225.11348	1.4
231.06497	1.0
243.12442	1.6
249.06247	0.9
253.05029	1.0
255.02734	0.8
256.22580	0.8
284.03296	8.8
285.04037	7.3
297.04041	13.5
298.04822	8.2
299.05609	18.3
306.66534	0.8
311.05630	2.3
327.05112	100.0
328.05518	5.3
339.05084	2.2
357.06210	24.8
358.06424	1.8
369.06216	2.7
405.17630	14.0
406.18054	0.9
416.49356	0.9
447.09348	86.6
448.09586	6.3
537.21344	5.4
537.28961	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29405	0.7
51.50761	0.8
57.25321	0.7
59.01385	8.0
61.98556	1.2
61.98838	6.4
70.68382	2.7
71.01389	2.8
73.02940	1.2
80.05062	10.3
85.02979	1.0
87.00906	1.4
89.02457	1.3
94.06624	2.8
99.00908	0.8
101.02451	2.1
104.05082	3.1
106.06637	5.2
107.03798	4.9
107.53806	0.8
108.04559	3.3
108.08232	0.8
110.78772	0.8
118.06646	1.0
119.03651	0.9
121.05372	1.3
122.06134	28.7
130.06618	2.0
132.04536	1.4
134.05124	1.1
134.06128	14.4
136.07703	4.0
139.02800	1.9
146.06139	4.1
148.04106	4.9
152.07184	56.8
153.07487	1.0
160.04016	2.3
160.07680	0.9
161.04640	0.8
164.07268	0.8
173.04930	1.4
174.05609	3.5
180.06650	7.1
186.05655	1.3
188.05571	1.5
188.07188	23.8
190.05135	1.1
197.07047	0.8
210.07936	1.6
211.08809	5.0
214.05113	1.2
223.08800	1.7
223.12366	1.2
224.09607	2.0
225.10365	6.2
226.11026	1.8
227.11902	6.2
235.08849	0.8
236.05536	0.8
237.10307	2.3
238.07518	3.3
239.11917	2.1
245.12997	5.6
248.09773	0.9
249.06651	1.0
249.10313	1.4
251.08292	3.7
251.11845	4.3
252.09047	4.2
253.09831	13.1
263.08234	0.9
264.09052	1.5
265.06195	1.0
265.09851	4.5
266.10629	2.2
267.11478	5.6
277.09744	4.7
279.07767	5.8
279.11356	3.4
280.08664	1.8
281.09351	1.2
292.08652	1.5
293.09320	3.6
294.10181	5.2
295.10895	44.1
296.11209	2.7
307.10886	16.5
313.11823	1.6
315.19125	0.8
321.08780	1.1
323.10333	2.7
332.12390	1.4
339.09906	1.4
355.13080	0.8
392.19943	1.8
418.17657	1.9
432.19296	2.8
458.16800	1.2
460.18811	100.0
461.19101	9.7
476.18121	3.0
486.16687	1.0
504.17813	98.8
505.18137	10.2
535.31226	1.9
536.20203	13.8
536.31506	2.6
537.20575	1.6
537.32635	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	536.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85752	0.4
59.01385	32.5
61.98837	100.0
64.53980	0.4
71.01385	2.9
73.02966	1.5
74.02484	0.6
75.00878	0.7
85.02952	0.8
89.02466	2.6
98.19855	1.1
101.02460	1.7
113.02483	1.7
114.70879	0.6
119.03523	1.1
161.04649	0.6
189.12968	0.7
203.08292	0.6
225.11372	1.3
245.09322	0.8
246.09891	0.9
258.09164	0.5
376.24109	0.5
387.20273	1.0
389.25482	0.8
405.17737	1.3
405.25372	0.5
429.21075	1.1
529.72809	0.6
537.21625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77148	0.2
57.03436	0.5
59.01385	5.2
60.96704	0.2
61.98819	1.0
65.05275	0.2
69.36270	2.0
71.01394	1.2
73.02962	0.6
80.05064	11.2
85.02949	0.5
88.27827	0.2
89.02461	0.8
94.06623	2.6
101.02460	0.9
104.05072	4.9
106.02979	0.3
106.06636	5.1
107.03777	4.6
108.04568	4.1
108.08208	1.0
109.06620	0.2
111.80743	0.3
113.02448	0.6
116.05082	0.3
118.06608	0.4
120.04552	1.0
121.05339	1.1
122.06130	30.8
123.06445	0.6
124.07690	1.3
130.06633	2.2
131.03732	0.4
132.04573	1.8
134.06134	14.7
135.06468	0.4
136.07703	4.2
139.02782	2.1
144.04510	0.4
145.05348	0.6
146.06131	4.2
147.03270	0.9
148.04076	3.8
148.07678	1.2
149.04631	0.5
150.05661	1.2
152.07181	64.8
153.07533	1.5
158.06178	0.5
159.03162	0.5
160.04039	3.2
160.07697	1.1
161.04694	0.5
162.05582	0.7
162.42793	0.3
164.07161	0.6
173.04836	1.3
174.05608	4.2
180.06670	8.6
181.69627	0.2
181.71831	0.3
183.09261	0.4
186.05605	1.8
187.06277	0.4
188.07175	24.7
189.07547	0.8
190.05083	0.7
195.09346	0.3
197.07239	0.6
197.10928	0.4
199.12170	0.3
202.05138	0.3
208.09901	0.3
209.10820	0.4
210.07935	1.5
211.08752	5.6
212.09204	0.4
213.10403	0.7
214.05045	0.5
221.07225	0.4
221.10696	0.4
223.08775	1.6
223.12381	1.0
224.09528	1.7
225.06813	0.4
225.10339	6.5
226.11127	2.7
227.11914	6.6
228.12212	0.5
233.10822	0.5
234.07843	0.4
235.08847	1.5
236.09584	0.9
237.06708	0.4
237.10320	2.2
238.07440	4.0
238.11018	0.3
239.08205	0.9
239.11908	1.9
241.09795	0.5
243.11221	0.3
245.12938	6.2
246.13258	0.5
247.08775	0.3
248.09589	0.9
249.06718	1.3
249.10370	1.9
250.07446	0.8
250.11034	0.3
251.08257	3.2
251.11929	3.8
252.09013	3.5
253.09818	15.3
254.10374	1.2
262.07495	0.7
263.08289	1.1
263.11932	0.4
264.09024	2.0
265.09833	4.1
266.10538	2.1
267.08282	0.3
267.11371	7.2
268.11966	0.5
269.12967	0.8
277.09805	4.6
278.07309	0.4
278.10587	1.0
279.07776	5.8
279.11365	4.3
280.08517	1.7
280.11374	0.4
281.09357	0.8
281.12823	0.4
289.10043	0.4
291.08035	0.4
291.11487	0.3
292.08759	1.8
293.09357	4.9
294.10095	4.7
295.10880	45.6
296.11331	2.8
297.12247	0.7
305.09409	0.5
306.09885	0.4
307.10886	18.1
308.11206	1.1
309.08612	0.5
311.06772	0.6
311.10333	0.5
311.13766	0.3
313.11963	1.8
321.09055	1.3
321.12241	0.3
323.10403	3.5
324.10931	0.3
325.11969	0.8
338.09100	0.6
339.09845	2.7
339.13623	0.7
340.10446	0.3
343.13504	0.3
344.14020	0.3
351.09985	0.7
355.13168	0.4
360.17255	0.5
362.18906	0.7
364.20389	0.8
372.17313	0.4
374.14972	0.4
376.16464	0.4
386.14822	0.3
390.18286	0.9
391.18616	0.4
392.19870	1.6
400.16675	0.7
404.19989	0.9
412.16446	0.5
414.18356	0.5
416.15582	0.4
416.20389	0.3
417.17090	0.6
418.17575	2.0
419.18546	0.4
430.18127	0.3
432.19427	3.3
433.19769	0.8
436.18863	0.7
440.15881	0.7
442.17639	0.6
446.17218	0.4
458.17108	1.0
460.18802	100.0
461.19098	9.2
462.16757	0.3
463.17368	1.4
468.15567	0.4
476.18015	2.2
477.18753	0.3
477.30319	0.3
486.16724	1.6
504.17795	97.7
505.18118	10.2
508.20682	0.3
535.31494	0.4
536.20380	14.8
536.31763	1.8
537.20959	1.4
537.33069	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06033	0.5
57.03447	1.4
59.01385	36.7
60.01730	0.6
61.98836	100.0
69.64039	3.3
71.01381	5.0
73.02972	2.0
74.02485	0.7
75.00884	1.2
79.71969	0.6
83.01420	0.8
85.02971	1.5
89.02451	4.6
98.20631	1.1
101.02484	2.8
113.02450	2.1
118.95238	0.6
119.03501	1.2
149.04591	1.5
155.73865	0.7
161.04602	0.8
179.10779	0.7
180.11238	0.7
223.09764	0.9
224.10161	0.6
225.11400	1.0
291.87418	0.6
387.20016	0.6
405.17648	1.0
405.25400	0.7
429.21365	0.8
459.79553	0.6
528.43237	0.6
536.20947	2.5
537.21539	1.5
537.33051	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	535.3129
Annotation	glas#24
Peak:m/z	Relative Intensity
54.13073	0.3
55.01868	1.1
57.03455	4.0
58.00602	1.0
59.01385	24.5
61.98842	2.7
62.14985	0.3
69.03479	0.5
69.28747	1.2
69.29175	1.9
71.01390	12.1
71.05038	0.4
72.99319	1.4
73.02961	3.9
73.29091	0.4
75.00879	1.3
81.03446	0.6
83.01394	2.1
85.02956	6.3
87.00887	1.6
87.04533	0.7
88.98817	0.8
89.02450	6.5
91.01895	0.7
95.01392	1.3
95.05070	0.4
96.96001	0.6
97.06586	0.6
98.19925	0.6
99.00887	1.2
99.04534	0.9
101.02456	6.9
107.01431	1.0
108.02191	0.7
109.02962	4.2
113.02460	4.9
117.07571	0.3
119.03491	2.2
119.05019	0.4
121.02950	1.2
122.06093	0.5
123.00911	0.5
123.08206	0.4
125.02454	5.7
125.09718	1.9
132.02184	0.4
135.00911	1.0
135.03043	0.8
136.01678	1.1
137.02524	0.9
143.03520	0.6
145.03009	0.4
152.07239	0.8
153.01991	0.4
161.04610	0.8
171.10277	0.5
175.03905	0.5
178.02740	0.5
187.09706	0.4
193.05128	0.7
199.13414	1.0
224.04784	0.8
229.14635	0.4
239.07106	0.5
240.03831	0.3
241.14507	0.5
257.08191	9.1
258.08517	1.0
269.08148	2.6
287.09280	2.9
296.03207	0.5
297.03812	0.5
298.03821	1.1
299.09232	1.7
311.05688	0.8
311.09024	0.7
312.06039	0.6
313.06393	1.9
327.21625	1.7
331.08127	2.4
343.24997	0.6
355.24908	5.0
356.25360	0.5
373.25977	16.4
374.26224	1.0
387.23849	1.6
415.27359	0.4
417.17175	0.4
431.26865	0.7
449.27994	0.4
460.18597	0.8
461.14795	0.7
475.29028	1.9
493.30460	0.6
504.18286	0.6
517.29956	2.2
535.31317	100.0
536.25232	5.4
536.31854	7.0
536.75928	0.6
540.87402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3128
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01886	0.9
57.03461	1.6
58.00597	0.5
59.01386	19.1
60.01696	0.5
60.99310	0.4
61.98817	1.3
69.03473	0.5
69.30008	2.9
71.01009	0.7
71.01389	9.8
72.52137	0.3
72.99307	0.9
73.02956	2.8
75.00877	1.0
83.01398	1.7
85.02956	3.8
85.93947	0.3
87.00879	1.3
87.04475	0.3
88.98806	1.4
89.02451	5.0
93.03465	0.5
95.01401	0.9
96.96016	0.4
97.02930	0.4
99.00876	1.2
101.01816	0.5
101.02455	6.7
108.02263	0.4
113.02460	3.9
119.03485	1.3
121.02940	0.5
122.03757	0.6
123.08228	0.5
124.01676	0.7
125.02425	0.8
125.09712	1.4
127.11291	0.6
129.01910	0.4
131.03481	0.4
134.03722	0.4
137.02406	0.5
137.09776	0.4
139.04034	0.7
141.09245	0.5
143.03468	0.5
145.02933	0.9
149.02419	1.0
153.09193	0.5
155.10692	0.4
161.04555	1.0
161.59351	0.3
163.04044	0.6
167.03511	0.6
171.10300	4.2
173.98640	0.3
175.03955	0.5
177.13005	0.3
193.01416	0.6
209.06151	0.4
213.09233	3.7
223.06073	0.9
243.10458	0.3
327.21841	0.8
331.11829	1.2
331.24683	0.8
355.24954	3.5
373.25977	12.7
374.26328	0.9
387.28146	0.7
460.18784	0.5
475.23199	0.4
475.29214	2.2
493.30139	0.6
517.30322	1.9
535.17987	2.7
535.31287	100.0
536.31586	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	535.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45794	0.8
56.23745	0.7
59.01386	4.2
61.98841	1.1
71.01404	0.8
71.54880	0.7
80.51305	0.7
87.13574	0.7
96.96017	1.1
134.03809	0.9
135.00912	2.4
160.01714	1.1
169.83502	0.8
175.04039	1.9
182.03830	0.9
198.03214	1.3
210.03146	3.8
211.03897	1.5
213.02046	0.9
215.03688	0.9
226.02760	2.2
227.03535	3.6
238.02756	4.8
239.03345	0.9
254.02252	5.2
255.03023	6.0
266.02084	1.2
269.04608	6.2
282.01767	1.5
283.02509	16.2
297.04068	100.0
298.04694	13.9
312.06421	23.5
313.03784	1.5
313.07175	15.9
314.07437	0.8
314.98792	1.1
319.76254	0.9
353.33102	0.9
370.58060	0.8
409.85544	0.8
461.25558	0.9
498.08948	0.9
499.09634	4.3
500.09903	0.9
535.27094	73.1
536.27441	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	535.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40632	2.3
57.03453	10.3
58.00598	2.9
59.01384	89.3
61.98849	2.3
67.05529	2.9
69.27335	3.4
69.27739	14.5
71.01022	2.2
71.01385	40.5
72.99296	5.6
73.02954	9.8
75.00865	6.6
83.01401	2.9
85.02950	16.0
87.00853	3.2
87.04499	2.2
89.01943	2.7
89.02451	38.4
95.01388	3.3
98.19876	3.7
99.00848	3.7
99.04530	12.5
101.02460	24.7
113.02469	17.8
119.03498	17.3
125.02430	4.1
131.03484	2.8
135.02977	4.7
135.11789	8.9
137.92967	2.0
143.03438	3.8
149.04550	15.9
152.20372	2.0
161.04535	5.7
161.09801	4.5
161.29823	2.2
179.05563	7.5
179.10780	52.6
189.03979	2.4
216.96989	1.9
223.09764	100.0
224.10048	3.5
230.10616	1.9
280.81689	1.8
288.47168	2.0
292.58572	2.1
313.07007	4.3
315.01465	2.9
325.66623	2.2
329.14001	2.4
330.03745	3.3
355.13770	7.6
355.66208	1.9
356.79324	2.0
403.10962	2.8
403.16031	48.7
404.16211	4.2
415.23459	4.4
433.24280	2.1
491.11984	2.8
535.12238	2.8
535.20117	67.1
535.29663	6.6
536.20380	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	535.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76091	1.1
52.53046	1.1
55.01855	1.2
56.06897	1.0
57.03443	2.9
58.00588	4.6
59.01384	100.0
61.98837	6.0
69.58218	2.8
69.58622	5.0
69.64816	1.1
71.01385	56.7
72.99298	4.0
73.02952	6.0
75.00846	5.1
82.99109	1.2
83.01368	3.6
85.02957	13.0
87.00861	4.3
89.02453	85.9
95.01372	4.1
96.96017	2.2
97.02967	1.1
99.00889	2.9
99.04478	4.4
101.02451	30.3
109.02926	1.7
109.19817	1.3
113.02465	25.4
119.02689	1.8
119.03514	31.5
123.04558	1.3
125.02457	1.3
125.09586	1.3
129.01880	2.1
131.03532	5.7
135.11757	5.4
143.03494	6.1
147.04526	2.3
149.04561	34.3
159.04541	2.2
161.04616	7.4
161.09666	3.6
165.05772	1.1
179.04112	2.0
179.05615	23.2
179.10789	49.9
180.11035	1.5
193.58632	1.3
195.05130	2.1
223.09776	66.9
224.10033	1.4
229.01312	2.1
241.10823	1.9
249.05988	3.4
267.07013	1.8
277.55634	1.3
313.07227	2.2
339.04944	4.6
357.09845	10.7
359.17050	2.5
403.16028	40.7
404.16162	3.5
503.16269	3.3
535.20135	65.7
535.27203	9.0
536.20496	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	535.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
57.03457	8.8
58.00580	2.8
59.01384	97.1
59.98503	1.4
61.98833	12.0
69.03451	2.9
69.67036	8.2
70.49936	1.3
71.01385	41.0
71.04980	1.3
72.99284	4.1
73.02956	7.2
75.00858	5.5
79.91537	1.2
80.77663	1.2
80.96461	1.3
81.89170	1.4
82.95417	16.0
83.01351	2.7
83.69090	1.3
85.02951	13.9
87.00843	4.5
87.04487	1.4
89.02448	47.6
95.01382	2.2
95.33074	1.2
97.02937	1.5
97.06557	1.9
98.20005	2.6
99.04519	9.7
101.01828	2.0
101.02444	27.1
103.00284	1.4
103.03965	1.4
113.01757	1.4
113.02464	20.8
119.03514	17.3
123.41837	1.4
124.05296	3.3
125.02408	2.4
131.03448	2.8
135.02959	4.0
135.11812	7.2
139.07611	2.0
143.03430	3.3
149.04562	21.5
161.04543	7.0
161.09593	4.7
179.04202	1.2
179.05606	11.4
179.10779	66.8
180.11064	2.6
197.39374	1.4
205.08543	2.5
223.09756	100.0
224.09985	4.5
237.09726	1.3
241.10828	2.1
264.10825	1.4
267.07141	2.9
298.04599	2.8
313.06967	5.5
355.13782	3.5
369.19025	1.5
403.16068	76.8
404.16138	5.5
535.20068	69.3
536.20313	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	535.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58696	1.2
57.03470	5.5
57.19373	1.2
58.00590	2.2
59.01386	83.8
60.01698	1.2
60.42439	1.0
61.50961	1.0
61.98842	2.4
64.00631	1.1
69.03436	1.3
69.45842	6.8
71.01021	2.2
71.01395	39.7
72.99323	1.9
73.02950	6.9
75.00884	2.4
83.01376	2.0
85.02969	10.0
87.00874	4.5
89.02457	66.1
95.01392	2.9
98.19947	2.6
99.00866	1.9
99.04538	8.0
101.02460	24.2
113.02457	15.5
119.03519	24.2
124.05302	2.9
125.02454	1.9
131.03506	8.5
135.11813	5.5
138.49858	1.0
138.56023	1.1
143.03499	4.7
149.04572	58.5
161.04588	6.3
161.09743	1.9
179.05614	17.4
179.09177	2.9
179.10782	56.4
179.71078	0.9
180.11169	2.4
187.13200	1.1
197.11742	1.5
223.09778	69.7
224.10086	3.3
241.10770	1.3
245.09273	1.6
331.07339	1.6
355.14020	4.2
359.17047	2.6
373.12842	1.4
394.77161	1.2
403.16052	26.7
404.15973	1.6
535.20313	100.0
536.20563	9.8
554.89246	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	535.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.6
58.03793	0.7
59.01385	16.8
69.35732	3.8
71.01386	5.4
73.02953	1.8
75.00868	1.2
78.96343	0.4
83.01382	0.6
85.02956	1.9
85.22625	0.4
87.00872	0.5
89.02451	1.6
93.03491	0.6
95.01368	0.8
96.96021	3.6
99.00893	0.5
99.04536	4.1
100.04906	0.7
101.02450	4.1
109.02972	4.4
113.02480	2.2
119.03518	0.8
121.02940	1.5
123.00886	1.7
123.04549	0.7
123.08141	0.4
124.01657	1.9
125.02444	2.5
125.09724	1.0
136.01659	6.1
137.02467	5.8
139.04074	0.9
148.01685	2.7
149.02440	9.7
150.03233	2.3
151.04022	10.9
156.98518	0.5
160.01662	2.1
161.02455	12.0
161.04593	1.2
162.03162	0.8
163.04004	1.9
164.04790	1.9
165.01947	0.8
165.05577	1.7
166.02762	0.6
177.05724	0.7
185.11848	1.1
187.09818	2.1
229.05060	0.7
230.05881	0.7
240.04227	0.6
242.05714	0.6
257.04483	1.3
267.02829	0.6
268.03705	1.6
269.04532	0.9
269.08200	0.5
270.05423	1.0
271.02658	0.5
271.05951	0.6
283.06049	1.4
285.04083	6.4
285.07669	2.7
286.04868	21.5
287.05350	1.2
287.09274	3.1
289.92612	0.6
300.06381	3.1
301.07199	23.3
302.07639	1.6
313.07355	0.7
315.08688	1.4
316.09540	29.0
317.09915	1.6
329.10388	1.2
331.11884	100.0
332.12189	6.5
355.24799	0.7
373.26138	0.9
391.22607	0.5
475.16284	2.1
475.29034	1.6
489.15909	0.5
491.15735	1.0
517.30078	0.8
520.16425	0.6
535.19080	0.5
535.31635	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	535.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
57.03463	0.9
59.01384	9.6
61.98846	2.5
64.90122	0.5
65.00312	1.0
69.03438	0.6
71.01390	4.0
71.54525	0.6
73.02947	1.0
75.00877	3.2
79.28433	0.5
83.01383	0.8
85.02979	2.1
87.00865	1.5
89.02455	4.5
89.65565	0.6
93.03475	0.6
95.01359	0.6
96.96016	4.5
97.02979	0.6
99.00880	0.6
101.02473	2.6
101.75641	0.6
105.54221	0.5
107.01379	0.8
109.02953	0.7
111.00920	1.3
113.02464	1.8
119.03529	0.8
119.05017	0.6
121.02989	0.7
123.04519	0.6
125.02496	0.9
129.01917	1.5
134.03781	0.8
135.04341	0.6
137.02496	0.8
139.00386	96.1
140.00714	1.6
147.02980	1.0
149.04506	0.6
149.06160	0.8
151.00392	2.1
151.03986	1.7
152.01135	1.0
153.01970	2.9
154.02733	84.5
155.03137	1.8
161.02412	0.6
161.04573	0.7
164.04865	0.7
165.01962	0.6
165.04172	1.0
165.05563	1.9
166.06226	0.6
169.05077	100.0
170.05438	1.8
177.03954	0.6
181.05115	0.7
195.05110	2.7
195.06679	0.6
225.05475	0.8
225.07686	13.1
269.00931	0.9
300.03036	2.6
300.52951	0.6
313.09274	1.3
321.13486	0.7
331.10403	7.2
344.49124	0.6
357.09717	1.3
358.09857	0.7
373.11389	10.9
381.05438	1.5
387.12695	1.4
419.04352	0.6
454.08282	4.6
454.58551	1.8
481.09814	0.8
535.16241	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
57.03463	0.9
59.01384	9.6
61.98846	2.5
64.90122	0.5
65.00312	1.0
69.03438	0.6
71.01390	4.0
71.54525	0.6
73.02947	1.0
75.00877	3.2
79.28433	0.5
83.01383	0.8
85.02979	2.1
87.00865	1.5
89.02455	4.5
89.65565	0.6
93.03475	0.6
95.01359	0.6
96.96016	4.5
97.02979	0.6
99.00880	0.6
101.02473	2.6
101.75641	0.6
105.54221	0.5
107.01379	0.8
109.02953	0.7
111.00920	1.3
113.02464	1.8
119.03529	0.8
119.05017	0.6
121.02989	0.7
123.04519	0.6
125.02496	0.9
129.01917	1.5
134.03781	0.8
135.04341	0.6
137.02496	0.8
139.00386	96.1
140.00714	1.6
147.02980	1.0
149.04506	0.6
149.06160	0.8
151.00392	2.1
151.03986	1.7
152.01135	1.0
153.01970	2.9
154.02733	84.5
155.03137	1.8
161.02412	0.6
161.04573	0.7
164.04865	0.7
165.01962	0.6
165.04172	1.0
165.05563	1.9
166.06226	0.6
169.05077	100.0
170.05438	1.8
177.03954	0.6
181.05115	0.7
195.05110	2.7
195.06679	0.6
225.05475	0.8
225.07686	13.1
269.00931	0.9
300.03036	2.6
300.52951	0.6
313.09274	1.3
321.13486	0.7
331.10403	7.2
344.49124	0.6
357.09717	1.3
358.09857	0.7
373.11389	10.9
381.05438	1.5
387.12695	1.4
419.04352	0.6
454.08282	4.6
454.58551	1.8
481.09814	0.8
535.16241	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01386	100.0
61.98842	1.4
65.60589	0.5
71.01398	4.5
71.55510	0.5
71.55894	0.6
72.99297	0.5
73.02970	2.5
75.00920	0.8
80.05079	1.0
83.01382	1.3
83.05009	0.5
85.02963	2.7
85.10223	0.6
87.00887	1.0
89.02468	2.1
93.03495	0.8
95.01400	0.9
96.96014	0.8
98.45383	0.5
99.00922	1.2
101.02448	3.3
104.05080	0.7
109.02985	1.3
113.02502	2.7
119.03535	0.8
121.02992	1.5
122.06145	2.8
134.06146	1.2
136.01694	2.1
136.05305	0.8
137.02454	4.2
139.04010	0.8
145.02983	1.7
149.02457	1.1
149.04675	0.7
149.05992	0.6
150.03259	2.2
152.01208	0.5
152.07196	5.6
152.16914	0.6
160.01707	0.7
161.02480	1.9
161.04588	1.0
163.04050	0.7
164.04849	0.7
165.05608	1.0
177.46394	0.5
179.07147	0.7
188.07253	2.2
213.05598	1.6
214.06238	0.5
218.57590	0.6
241.05193	0.8
245.12988	0.8
252.04326	1.1
253.05191	0.7
253.09900	0.9
255.02994	0.7
267.11310	0.6
269.04688	2.2
270.05389	1.5
285.04059	1.3
286.04865	1.4
293.09421	1.0
295.10876	3.5
298.04858	34.1
299.05273	1.9
300.06412	0.6
301.07251	1.5
307.11105	2.0
313.07208	36.0
314.07748	1.6
316.09500	3.6
317.10336	0.8
331.08194	0.6
331.11893	11.0
339.09946	0.7
373.26093	1.1
460.18973	9.4
475.29584	0.7
475.33173	0.8
493.30353	0.8
503.17267	0.8
504.17773	8.8
534.29999	0.9
535.18378	1.1
535.25006	1.7
535.31708	11.1
536.20386	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.6
60.05982	0.6
60.06284	0.7
61.98834	4.0
68.41514	0.6
69.03454	0.6
69.83825	3.2
71.01386	2.4
83.01378	0.8
85.02988	0.9
89.02456	2.2
98.19983	1.0
99.00848	0.9
101.02445	1.3
108.02177	3.7
109.02982	1.5
113.02454	1.3
123.04507	1.2
124.01688	1.7
125.02425	1.2
125.88652	0.7
131.07491	0.6
135.04539	0.6
137.02469	2.2
138.03175	0.6
161.02386	0.7
161.04630	0.6
167.03513	6.6
201.65923	0.6
211.04045	0.9
217.05058	1.3
219.03059	0.7
224.04410	0.8
227.03476	0.8
235.03972	1.3
237.05611	1.0
237.07722	0.8
239.03485	0.8
245.04680	1.0
249.26787	0.6
251.03603	2.1
252.04282	1.3
253.05128	1.3
255.03004	1.4
263.03409	1.6
264.04251	0.8
265.05038	1.4
267.02979	0.8
268.03931	1.0
276.46280	0.6
279.02988	2.7
280.03760	2.6
281.04449	4.4
283.02554	1.1
283.06067	0.6
284.03290	1.2
291.02881	0.6
292.03592	0.8
293.04617	2.6
294.05203	1.1
295.05994	0.6
296.03317	1.8
297.04080	2.6
298.04694	1.4
307.02444	1.1
308.03256	2.3
309.04034	7.3
311.01904	0.8
311.05545	1.8
313.03571	2.5
313.07108	0.8
314.05093	0.7
321.04083	1.4
322.04776	1.3
323.05774	2.6
327.05554	0.9
330.03772	1.4
335.05438	1.0
336.02649	1.1
337.03574	0.8
338.04254	1.3
339.05087	5.2
340.05753	1.4
341.02991	3.2
341.06613	0.9
343.05350	0.8
348.99133	0.6
349.03510	1.7
350.04239	1.0
351.05130	3.7
352.05899	1.0
353.03098	0.8
355.08414	0.7
356.05215	1.5
357.07117	0.7
366.07483	1.6
367.04614	6.8
368.05286	5.6
369.06186	2.7
371.08017	3.9
372.08206	2.0
381.06177	2.4
383.07495	0.8
389.06491	0.8
397.09290	5.3
398.10001	2.2
399.05182	3.3
400.05743	1.6
401.06516	1.3
416.05438	0.8
417.06323	0.8
427.04724	2.1
428.05258	1.0
429.05804	1.3
443.07965	0.9
445.05783	1.4
446.06934	0.9
455.04144	2.8
459.07101	1.1
460.08038	0.7
461.08792	1.3
473.05258	3.2
475.32578	0.8
488.07581	2.3
494.98712	0.7
503.09921	8.7
517.11505	0.8
520.10162	3.5
534.33502	0.7
535.12500	100.0
536.12811	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	535.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78323	0.7
59.01381	7.0
61.98832	1.6
65.00345	0.7
69.86876	4.1
71.01393	2.3
73.02947	0.8
75.00886	1.6
76.49339	1.0
84.03273	0.7
85.02978	1.9
89.02473	0.9
95.01395	0.8
96.96023	1.3
96.99318	3.3
98.19942	1.4
99.00887	1.7
101.02435	0.7
108.02161	0.8
113.02456	0.9
121.02914	1.1
129.01944	3.1
135.00958	0.7
147.00914	4.7
169.03011	2.3
171.04556	1.8
179.03510	15.1
183.04520	2.4
198.03380	0.7
199.03957	2.5
207.02998	55.7
208.03284	2.2
211.03990	3.6
214.90585	0.8
222.05350	53.4
223.05719	1.7
226.02643	0.8
227.03525	6.6
228.04272	1.2
237.07697	100.0
238.07977	3.9
239.03491	2.9
240.04305	2.4
241.95424	0.7
255.02994	17.1
256.03735	1.2
267.02884	1.2
268.03738	1.7
283.02499	21.8
284.03271	8.5
285.03955	1.0
296.03241	2.8
297.04138	5.7
298.04840	23.5
299.05505	3.9
311.02017	1.9
312.02847	3.1
326.04385	8.7
327.05133	3.3
390.79337	0.9
519.25305	3.1
535.12482	1.6
535.26746	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04809	0.9
55.01884	2.7
57.03453	6.6
59.01385	71.5
61.98843	10.7
65.00332	4.4
69.03467	1.4
71.00924	2.1
71.01389	30.9
71.05075	1.2
72.99331	3.6
73.02944	14.7
75.00875	9.7
83.01407	7.0
85.02961	15.4
87.00900	4.1
87.04523	1.9
87.89289	1.0
89.02448	16.7
94.06607	1.1
95.01404	2.6
95.05085	1.2
96.96036	1.8
97.02948	1.3
98.95613	1.1
99.00890	3.2
99.04537	2.1
101.02451	19.5
107.01404	10.6
107.03788	1.6
109.02992	4.3
110.00090	1.2
111.00912	1.7
113.02478	11.6
113.06055	0.9
115.04044	1.9
116.92865	2.2
117.03470	2.0
119.03509	4.9
119.05040	1.5
121.02994	1.3
122.06125	7.4
123.00914	1.1
123.08184	1.6
125.02461	5.8
125.09796	1.4
131.03488	1.5
134.06174	2.0
135.03032	25.0
135.04558	38.9
141.09276	1.1
143.03598	1.6
145.02988	4.7
149.04657	1.6
149.06067	1.6
151.00386	52.1
152.07195	11.7
155.10728	1.4
160.01697	2.0
161.02463	1.0
161.04591	2.8
163.04008	1.7
165.01994	3.9
171.10365	1.7
175.04112	2.2
179.05649	1.1
185.11871	8.5
188.07260	1.2
192.50554	1.1
225.05580	1.1
226.06503	2.9
237.10326	1.5
241.08743	5.6
241.14401	1.0
241.82416	1.2
249.06271	1.3
251.08244	1.9
252.09062	1.2
253.10031	1.1
265.09827	1.8
278.07037	2.3
279.07828	1.8
287.05728	39.0
287.09268	9.0
288.06052	1.3
293.09323	7.6
294.09839	2.7
295.10986	2.2
306.10156	1.0
307.11084	1.5
330.89847	1.1
331.08200	1.7
337.08591	4.8
343.25226	1.4
355.25067	7.0
361.18875	1.4
373.26004	13.1
387.23907	7.4
402.14096	1.3
403.19235	5.3
415.23495	2.1
449.10919	1.3
459.17938	6.0
460.18460	5.0
462.16492	1.5
475.29202	6.5
476.28589	1.2
491.11646	11.5
493.30591	2.8
502.16364	1.8
503.16779	12.1
504.17892	4.8
517.30365	5.1
534.30243	2.1
535.25189	4.6
535.31464	100.0
536.25629	2.8
536.32013	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.37
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.9
59.01384	100.0
71.01389	5.4
71.54729	0.8
71.55130	0.9
73.02974	0.9
83.01414	2.2
85.02974	3.2
89.02445	0.9
95.01389	0.8
99.00910	1.1
101.02473	2.8
111.44099	0.5
113.02465	6.5
125.02496	0.7
136.68529	0.5
161.04558	1.1
219.03589	0.6
272.72366	0.6
278.26422	0.5
283.26468	1.1
329.30646	3.3
353.25369	0.6
378.93237	0.7
386.66858	0.6
412.07388	0.7
473.34866	14.9
474.35287	1.4
491.35995	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	535.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.2
57.01547	1.4
57.03449	5.7
58.60299	1.5
59.01386	73.9
61.98832	12.9
65.00333	8.8
71.01392	32.6
71.55031	1.8
72.99332	4.1
73.02948	13.0
75.00877	11.9
80.14109	1.3
83.01390	9.5
85.02962	11.5
87.00884	3.6
87.04503	2.2
89.02457	14.0
95.01377	2.2
96.96039	4.0
97.02957	1.7
97.06605	1.3
99.00920	2.6
101.02453	18.4
104.45609	1.5
104.66232	1.5
107.01398	12.6
109.02963	2.7
111.00919	1.6
113.02464	10.5
115.04010	2.7
119.03517	3.7
121.06814	1.5
122.06136	5.6
125.02467	5.5
125.09760	1.6
132.04384	1.5
133.03012	2.4
134.03778	2.7
135.03011	26.3
135.04544	53.3
136.04950	1.4
137.02496	2.1
143.03572	1.6
151.00381	72.7
152.07199	11.3
161.04582	3.7
165.02007	2.5
165.09332	1.6
171.10295	3.6
183.13931	2.3
185.11836	2.4
193.05028	2.6
213.09132	2.2
226.06334	2.1
241.08730	4.2
250.07425	2.0
265.09879	2.4
279.07547	1.5
283.06082	1.7
287.05701	52.6
287.09198	9.4
288.06015	2.6
293.09283	7.6
294.09863	2.8
295.10965	2.9
316.06024	1.8
331.08234	5.4
331.24820	2.0
337.08417	3.7
343.24969	2.8
355.24887	5.7
373.25858	12.2
387.24048	4.7
403.19775	5.3
415.23209	2.7
458.17432	2.3
459.17953	4.1
460.18985	6.0
475.29489	9.6
491.11847	20.4
493.30215	3.6
502.16516	1.7
503.16620	9.9
504.17569	8.1
517.30090	3.0
534.30078	3.3
535.24988	5.0
535.31403	100.0
536.25183	7.7
536.32129	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68534	0.4
54.96317	0.3
57.03453	0.7
59.01387	100.0
60.01729	0.7
61.98840	3.0
69.47052	0.8
69.47463	1.7
71.01389	6.0
73.02975	1.4
83.01427	1.3
85.02955	2.8
87.00889	0.5
89.02480	1.3
92.45094	0.3
93.03587	0.5
95.01406	0.6
96.05921	0.4
96.96029	0.6
99.00902	0.5
101.02454	3.9
107.05005	0.5
113.02465	3.7
119.03525	0.4
119.05003	0.8
125.02475	0.5
127.11285	0.4
143.03555	0.7
145.06639	0.4
157.06633	0.5
159.03094	0.5
159.08154	0.8
161.04543	1.7
178.69536	0.3
210.54208	0.4
221.06133	0.5
223.07845	0.7
226.99666	0.3
267.23373	0.7
283.26489	0.7
289.11053	0.4
297.04080	0.4
303.16171	0.5
329.30612	2.9
373.16660	0.7
407.18942	0.5
433.20602	0.4
435.21747	0.6
461.10623	1.3
473.34900	7.4
474.35123	0.7
491.35977	5.4
496.07870	1.0
497.07971	3.4
498.07941	1.4
529.84271	0.4
533.24103	2.2
533.32568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
57.03460	0.7
59.01385	100.0
60.01707	0.6
60.22540	0.4
61.98834	2.0
70.59351	1.2
71.01389	7.7
72.66461	0.4
73.02959	2.2
83.01404	1.4
84.40829	0.4
85.02963	4.3
87.00876	0.6
88.12858	0.4
89.02450	1.8
95.01395	1.1
96.95993	0.5
99.00884	1.1
101.02451	4.0
113.02461	5.0
115.92149	0.4
119.03545	1.0
119.05046	2.5
121.03008	0.9
125.02463	0.6
131.78821	0.4
139.00505	0.4
143.03560	0.6
159.03065	0.5
161.04607	2.1
161.06061	0.6
163.04124	0.8
164.04828	1.1
175.04071	0.8
175.07684	0.7
175.17940	0.4
183.08400	0.4
216.92870	0.6
245.15443	0.5
283.26544	1.4
291.90152	1.5
303.16019	3.0
315.16241	0.8
329.30652	4.3
330.31348	0.5
401.19724	0.6
435.21774	2.3
473.34909	5.6
491.35925	6.2
493.90015	0.4
505.26093	0.6
533.25977	2.1
533.32910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41592	0.8
55.01874	1.1
57.03454	59.6
58.00594	1.1
58.03807	0.9
59.01386	100.0
60.01714	1.8
61.98833	1.0
66.59827	0.7
69.61398	4.1
71.01387	21.9
72.99309	1.2
73.02953	6.6
73.24659	1.0
75.00877	1.5
81.03468	2.4
83.01390	4.4
84.95154	0.9
85.02951	7.3
87.00887	2.4
89.02451	13.9
95.01393	2.0
96.96020	2.2
99.00871	1.6
99.04529	83.0
100.04877	2.2
101.02453	27.8
113.02464	15.1
116.92902	1.1
119.03493	5.8
120.99675	1.0
125.02459	31.2
143.03493	4.4
149.04605	1.9
161.04616	6.2
179.05675	1.9
195.98923	0.8
209.15375	1.3
210.49298	0.8
227.16676	4.2
371.11636	0.9
371.20715	15.9
372.20908	2.0
389.21802	28.3
389.72787	0.8
390.22620	1.3
431.22867	11.6
471.25955	2.6
489.26758	1.5
533.26227	13.0
534.26202	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	533.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.3
59.01588	6.9
59.01791	0.5
61.98713	0.6
61.99016	0.5
63.46923	0.4
63.67668	0.4
69.36182	0.8
69.36584	2.8
70.42592	0.4
70.57401	0.4
78.95759	5.7
78.96261	1.1
83.04943	0.6
85.06481	0.5
96.95896	0.4
107.04892	0.4
110.98357	4.4
114.11556	0.4
122.30466	0.5
144.60078	0.4
152.99474	0.7
165.12659	0.9
167.00958	1.8
181.12228	0.7
185.02245	5.1
199.13400	14.7
219.06436	0.6
219.17503	0.4
225.12415	0.4
251.10741	1.1
265.67493	0.5
279.06387	0.5
279.19720	7.8
347.25885	6.2
363.25262	0.7
365.26974	100.0
366.27338	7.9
380.84595	0.5
391.23062	0.8
433.20081	0.8
476.27896	0.9
503.20795	0.6
503.55505	0.4
527.49835	0.4
533.05957	0.6
533.29047	16.3
534.29492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18323	0.6
53.57239	0.4
57.03453	10.3
59.01385	21.6
61.98852	0.5
62.05796	0.7
63.02403	1.5
65.00346	0.8
69.29166	4.5
69.29561	1.0
70.43278	0.5
71.01380	5.2
73.02971	1.5
83.01401	1.5
85.02967	1.8
87.00890	0.7
87.55776	0.5
89.02450	4.6
99.03910	1.1
99.04522	12.9
101.02451	6.7
107.01410	2.1
109.02937	0.9
113.02472	3.4
115.02615	0.5
119.03497	2.1
121.03014	0.6
125.02464	5.9
133.02950	5.4
134.03714	0.8
143.03529	0.9
149.02466	1.6
150.10887	0.6
151.00369	4.7
161.04582	1.5
161.09703	1.2
171.04420	0.9
173.99744	0.5
175.04019	1.7
179.05521	0.7
187.03944	0.8
187.11255	1.1
188.04839	0.5
198.03229	0.8
199.03999	1.8
201.01938	0.6
205.12357	0.9
211.04036	1.3
216.04323	0.7
217.05231	0.8
227.03540	2.0
239.03432	0.6
241.05243	0.7
255.03033	2.0
256.03735	4.4
257.04126	0.8
264.98233	0.6
283.02573	0.7
284.03275	63.6
285.04047	94.9
286.04401	6.5
297.04083	0.7
319.55420	0.6
329.06674	1.0
362.53516	0.5
371.20856	1.2
389.21713	4.1
431.22858	2.3
438.26340	0.6
447.09488	1.3
489.10397	100.0
490.10773	9.8
533.21771	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	533.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41972	0.8
55.01873	1.3
57.03455	100.0
57.72194	0.9
59.01387	88.5
61.50234	0.9
61.98835	1.4
65.11993	0.8
69.64992	3.5
71.01388	21.6
71.05011	1.1
72.99301	0.9
73.02960	9.1
75.00878	0.8
75.48403	0.9
75.94347	0.8
77.70068	0.8
81.03452	2.2
83.01411	4.8
85.02956	11.1
87.00878	1.7
89.02460	5.9
95.01406	1.2
96.96002	2.3
98.19400	0.8
99.00897	3.2
99.04530	92.3
100.04874	2.2
101.02457	38.7
104.95599	1.0
113.02460	11.2
119.03480	2.5
123.63856	0.9
124.92260	0.9
125.02455	23.4
129.02005	0.9
143.03526	4.7
153.09129	0.8
155.10776	2.0
159.02992	2.7
161.04594	8.2
161.09766	1.4
179.10861	0.9
187.11293	2.3
187.60382	0.9
189.09236	1.1
207.10338	1.4
209.06139	1.0
227.16576	4.7
249.11353	1.4
251.97731	0.8
252.04150	0.9
283.10452	1.5
285.04150	2.1
296.03336	1.2
311.05569	5.0
347.49753	0.9
371.20648	2.5
387.09384	1.0
389.21863	17.1
424.33627	0.9
431.22928	10.5
471.25888	2.6
489.10840	1.0
533.25873	15.9
534.26550	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	533.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86942	0.3
55.01902	0.8
56.22926	0.3
57.03454	100.0
58.00593	0.4
58.03796	0.8
59.01384	81.8
69.65083	1.9
71.01385	16.8
72.99319	0.5
73.02950	4.5
75.00877	0.6
81.03465	1.5
83.01398	3.6
85.02956	6.0
87.00892	1.2
89.02458	8.7
95.01409	1.3
96.96028	0.4
97.02946	0.5
99.00899	1.9
99.04527	96.4
100.04874	1.1
101.02451	32.3
109.02950	0.8
111.00882	0.4
113.02463	7.0
116.92795	0.3
117.03503	0.3
119.03513	3.2
125.02458	17.1
126.02804	0.5
131.03505	0.3
141.01958	0.3
143.03505	4.9
145.02959	1.3
149.04555	0.3
159.02982	1.0
161.04579	5.1
173.59146	0.3
179.05611	0.7
213.11089	0.4
218.52344	0.3
233.25635	0.3
242.19063	0.3
255.25739	0.4
260.79398	0.3
311.05588	0.6
329.06519	0.8
358.30045	0.3
389.21838	16.7
390.21939	0.6
427.07581	0.3
431.22833	6.8
432.22971	0.4
433.20615	1.4
471.25870	1.8
489.27017	0.4
533.25769	32.6
534.26184	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.4
59.01384	100.0
60.01713	1.1
61.98838	1.3
71.01399	1.9
73.02966	0.5
85.02972	0.6
89.02473	1.0
96.96047	0.5
98.20702	0.7
99.00888	0.4
101.02473	1.0
113.02471	0.9
119.05054	1.1
151.54041	0.3
153.02077	0.4
161.04575	0.4
210.40059	0.3
211.07788	0.5
229.73248	0.4
235.02591	0.3
239.07130	5.0
254.09521	3.2
269.11835	6.8
270.12350	0.5
285.04382	0.4
315.16321	0.4
354.74591	0.4
473.32715	0.6
533.17975	0.6
533.25385	0.5
533.33319	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18264	0.4
55.01903	0.5
57.03454	1.4
57.48674	0.4
58.00591	0.5
59.01385	52.5
60.01718	0.6
61.98830	0.9
69.03460	0.5
69.75516	2.3
71.01386	14.5
71.53256	0.3
72.99335	0.7
73.02953	8.9
83.01410	1.4
85.02947	3.7
87.00878	3.3
89.02453	30.7
90.02795	0.4
93.03472	1.4
95.01402	0.6
96.96036	0.8
97.02983	0.5
98.20692	0.5
99.00887	1.2
99.04539	1.3
101.02448	6.6
103.00382	0.8
103.04023	1.8
111.00903	0.5
113.02454	3.2
119.03518	1.8
119.05004	0.5
125.02432	0.6
131.03514	8.1
137.02437	2.9
137.12718	0.4
143.03571	0.6
145.02960	0.7
149.04565	100.0
150.04906	2.3
151.05090	0.5
161.04613	1.2
163.04005	0.5
177.05617	0.4
179.05605	0.8
249.06053	0.6
269.17853	0.4
315.18088	2.8
329.10229	1.0
339.09827	1.6
357.19116	0.8
372.27463	0.5
387.09131	0.9
399.88672	0.4
401.25330	1.0
473.31543	0.8
533.21893	1.7
533.29828	4.9
534.30011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	1.6
59.01380	15.0
61.98843	4.1
67.20186	1.8
70.65470	5.0
71.01392	13.5
72.78102	1.6
73.02968	3.4
75.00887	3.3
81.40556	1.6
83.01410	2.4
85.02959	6.5
87.00885	4.4
89.02454	25.8
96.96024	6.3
97.02955	3.8
97.04173	2.2
99.00881	3.9
101.02447	5.7
109.02961	100.0
113.02448	4.6
119.03563	2.6
122.03750	2.4
123.04548	3.0
125.02464	4.4
129.01965	4.6
131.03539	4.2
134.03760	8.9
135.04581	5.1
137.06067	5.2
142.09023	2.0
147.04607	3.4
148.05324	3.4
149.04568	47.4
149.05936	3.4
150.04904	1.9
153.05592	7.6
163.07555	1.8
164.07150	5.8
165.05554	2.2
167.03488	6.5
173.01230	1.9
177.03905	3.4
178.02689	3.3
179.05592	4.8
193.05075	15.3
217.00266	3.4
245.08098	2.7
311.11273	2.1
374.99347	3.2
425.07556	2.0
455.15491	3.3
472.11377	1.9
473.16708	31.2
533.15082	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	533.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.9
59.01386	16.5
62.72528	1.1
68.99805	1.4
69.03452	1.5
71.01013	1.6
71.01388	22.7
72.99303	4.0
73.02951	1.7
75.00552	1.2
75.00878	32.5
83.01385	2.1
85.02953	14.2
87.00876	12.8
89.02445	7.7
90.15066	0.9
96.96008	5.8
97.02936	2.1
99.00880	8.0
101.02459	4.8
102.38306	0.9
103.00400	1.3
109.02965	1.4
111.00877	2.0
111.46292	0.9
113.02448	2.0
117.01939	1.6
120.01253	4.0
121.02971	1.2
123.04538	3.2
125.02425	2.0
129.01965	16.0
133.02982	1.5
134.03749	48.2
135.04503	2.2
137.02460	6.0
139.03973	1.7
141.01929	1.0
148.05298	1.1
149.04837	1.4
149.06085	15.0
150.03249	1.5
159.02982	3.1
160.01642	6.2
161.02431	1.7
165.01877	1.0
167.03534	9.6
175.02567	1.4
175.04013	16.9
176.04712	2.8
177.04060	72.6
178.01242	1.3
178.02753	20.8
178.04291	2.6
179.03427	2.7
181.36902	0.9
191.03479	1.2
191.07146	2.6
193.05064	75.3
194.05421	1.9
195.05046	8.3
196.52605	0.9
197.62184	1.0
209.04646	1.1
217.24486	1.1
235.06120	3.8
281.06714	2.6
329.08591	1.0
335.07425	1.2
339.06970	1.1
353.08795	36.4
354.08978	3.1
355.10458	3.3
357.10596	1.4
371.09818	19.8
372.10144	1.2
443.11612	1.7
497.13025	3.5
533.15106	100.0
534.15533	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	533.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43631	1.2
57.03454	6.7
58.00561	1.2
59.01387	17.5
61.98818	1.6
63.06887	1.3
69.03429	2.2
69.43607	5.9
69.44021	2.8
71.01389	21.5
72.99323	5.6
73.02927	2.5
75.00877	33.5
83.01383	2.6
83.61334	1.2
85.02957	20.8
87.00880	12.6
87.42123	1.2
89.02460	8.8
90.67382	1.2
94.02963	1.8
94.79310	1.3
96.96019	18.9
97.02968	1.5
97.71938	1.2
99.00920	7.2
101.02457	6.4
108.02188	1.2
111.00835	2.3
113.02444	3.1
119.03582	1.5
120.01251	3.4
121.02934	2.1
122.75963	1.3
125.02376	1.5
129.01944	16.3
129.73366	1.5
134.03754	56.2
135.04483	4.2
137.02452	7.1
139.04001	1.4
141.01944	1.6
149.02426	2.2
149.04427	1.1
149.04840	1.5
149.06091	21.6
159.02946	3.4
160.01620	2.7
161.04556	2.5
163.06206	1.3
163.74826	1.1
164.04782	2.3
167.03519	1.8
175.03970	4.2
177.04057	87.6
178.01244	1.5
178.02750	25.1
178.04282	2.1
179.03329	2.2
193.05072	100.0
194.05356	2.7
195.05107	5.8
209.04686	1.2
223.06166	5.9
281.06619	1.3
339.07169	2.9
353.08774	11.2
355.10129	9.2
371.09897	9.8
443.11700	2.0
497.17566	1.6
533.15076	99.8
534.15497	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	533.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	0.9
59.01385	10.8
61.98838	2.7
68.73129	0.6
71.01388	1.9
71.55142	1.0
73.02946	0.7
85.02962	0.8
90.83406	0.6
91.01899	0.7
96.96021	0.7
101.02457	1.0
102.44002	0.5
106.17312	0.5
117.03446	0.5
119.01427	0.7
147.00887	3.3
149.02412	0.6
151.03992	1.1
154.67697	0.5
161.02422	0.6
167.05045	0.6
169.06598	1.1
175.00386	0.6
179.03516	12.3
180.05829	0.5
183.04520	1.0
195.04543	1.7
197.06004	0.6
206.02219	0.5
207.02998	51.3
208.03323	1.8
211.04002	1.9
212.04811	1.2
213.05548	1.6
215.03423	0.9
221.04552	0.6
222.05356	52.6
223.03873	1.2
223.05740	1.5
224.04793	2.2
225.05611	1.8
237.07700	100.0
238.08006	3.9
239.03500	3.7
240.04282	1.5
241.04927	0.7
267.03055	2.3
268.03793	1.9
269.04593	2.6
270.04657	0.5
285.03964	0.6
295.02539	1.0
296.03278	44.6
296.23123	0.8
297.04010	13.5
298.04401	0.7
311.05484	0.9
326.47989	0.5
415.04657	0.8
533.15106	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28336	0.7
57.03453	27.1
59.01385	55.9
60.01718	0.9
61.98844	0.9
71.01389	7.9
71.55772	0.8
73.02947	2.7
75.00873	1.3
78.00774	0.7
81.03468	1.4
83.01399	1.1
85.02965	3.8
87.00879	1.1
89.02460	5.1
95.01384	0.8
96.96026	2.9
99.00935	0.8
99.04529	36.9
100.04870	0.8
101.02452	11.6
107.01433	0.9
113.02428	5.0
115.00404	1.0
119.03512	0.8
125.02457	10.4
129.01929	0.8
143.03508	1.9
145.02986	1.8
145.14749	0.7
151.00395	1.8
160.01700	2.2
161.02516	1.4
161.04536	1.5
165.05583	0.7
175.04004	1.2
183.04652	0.7
187.04007	0.8
193.05003	1.1
195.04521	1.3
199.03941	0.7
211.04120	0.8
215.03561	1.3
217.37624	0.6
224.04802	1.9
239.03438	3.4
240.04214	2.1
243.02936	1.2
253.01323	0.7
267.02921	3.0
268.03778	19.9
269.04202	1.0
271.02533	4.9
284.03232	1.5
285.04071	2.7
295.02521	1.5
296.03278	64.6
297.00699	0.8
297.03604	4.1
299.01965	20.3
311.05643	100.0
312.06082	6.0
313.03574	4.1
314.04324	10.8
329.06708	24.0
330.07053	1.0
372.68698	0.6
389.21756	2.9
402.19034	0.8
431.22824	0.8
467.01492	0.8
473.27420	1.6
489.10294	1.5
532.29034	1.0
533.13318	9.3
533.22491	2.7
533.29230	6.4
534.12463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	6.8
59.01385	30.5
61.98847	1.3
65.00348	1.8
69.94717	4.9
71.01377	7.9
73.02955	2.4
83.01399	1.2
85.02949	3.3
89.02470	7.0
93.03432	1.2
98.87208	1.4
99.04559	6.7
101.02435	6.6
104.92883	1.2
107.01361	2.6
109.02975	4.0
113.02472	4.1
119.03502	2.2
123.95703	1.5
125.02470	3.4
133.02985	4.8
134.03767	1.6
135.00856	1.4
145.03003	1.5
149.02415	1.3
151.00389	5.2
161.04604	1.5
165.07143	7.3
167.05083	2.6
175.03996	1.8
179.05629	1.5
188.04836	1.5
189.05479	1.4
194.84151	1.0
199.04004	3.2
203.30562	1.2
209.06078	59.5
210.06422	2.2
211.04004	1.5
227.03514	9.0
229.05040	4.0
255.02998	19.2
256.03726	3.9
257.04587	1.8
284.03268	72.5
285.04047	100.0
286.04407	6.1
297.07666	2.3
313.10730	1.8
357.09848	1.8
371.11349	6.7
371.21051	1.3
447.09076	2.1
489.10419	81.5
490.10876	8.4
533.22601	4.2
533.29535	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	533.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39128	0.7
57.03454	6.8
57.14111	0.6
59.01386	14.7
62.16662	0.5
63.02412	1.5
65.00340	0.9
69.94644	3.0
71.01385	3.2
73.02950	1.4
73.38718	0.6
83.01398	1.1
85.02934	1.3
87.00958	0.6
89.02452	2.5
91.53905	0.6
99.04527	8.7
101.02444	4.3
107.01411	2.7
113.02469	2.3
119.03558	0.8
121.02899	0.7
125.02457	3.3
129.84692	0.6
133.02927	3.5
134.03738	1.0
149.02435	1.8
151.00380	5.3
175.04021	1.1
199.03966	2.0
211.04024	1.4
217.05048	1.2
227.03488	2.1
239.03502	1.0
243.02898	0.9
255.02914	1.2
256.03754	3.2
284.03278	70.2
285.04050	100.0
286.04321	4.9
297.04221	0.8
389.21777	2.7
431.22931	1.4
447.09454	0.9
489.10397	89.0
490.10651	8.2
532.26880	0.7
533.22467	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	532.9818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38048	0.4
56.67057	0.3
57.56084	0.4
59.01385	59.0
60.57219	0.4
61.35246	0.4
61.98814	0.4
65.03866	0.4
67.26756	0.4
67.45477	0.4
70.12022	1.5
88.95245	0.4
90.97152	1.4
95.00353	0.4
114.98943	0.5
118.96665	1.1
132.98247	2.2
156.99927	0.8
168.94908	0.5
174.99258	26.0
175.99593	0.5
217.00307	100.0
218.00653	2.3
218.98160	0.5
249.73166	0.4
374.99231	69.2
375.99460	2.5
532.97955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03460	0.4
58.00611	0.7
59.01386	100.0
60.01722	0.7
69.03477	0.5
69.61794	2.0
71.01388	12.7
71.05029	1.1
72.99325	0.6
73.02953	4.4
83.01406	2.2
85.02961	5.6
87.00882	0.8
89.02464	1.5
95.01394	1.2
96.96046	0.8
97.02966	0.7
98.20634	0.6
98.95610	1.1
98.96493	0.4
99.00879	2.0
101.02451	7.3
107.79113	0.3
111.00948	0.5
112.01694	0.5
112.09560	0.3
113.02457	7.2
119.03534	0.4
125.02480	1.0
127.11326	1.3
143.03503	1.3
159.03032	1.3
161.04570	6.6
162.80476	0.3
205.09619	0.4
225.09277	0.4
238.64796	0.3
281.24860	0.8
297.28094	0.7
309.28049	1.1
315.70190	0.3
327.29092	5.3
339.29083	0.4
351.28845	0.4
369.30206	3.1
383.88614	0.4
409.20261	2.0
410.20828	0.4
411.20615	1.8
453.32855	0.4
471.33307	8.4
472.33572	1.0
489.34341	4.5
493.13034	0.7
531.24023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03460	0.5
58.00599	0.8
59.01386	100.0
60.01723	1.0
61.98849	1.6
69.03474	0.3
69.56372	0.8
69.56796	1.0
71.01389	19.1
72.01737	0.4
72.99317	1.4
73.02952	4.2
75.00879	0.4
83.01395	1.8
85.02962	4.4
87.00905	0.7
87.24408	0.3
88.66257	0.3
89.02454	17.1
95.01382	1.7
96.96037	0.9
97.02962	0.3
97.06593	0.4
98.19900	0.5
99.00911	0.4
101.02459	11.3
101.03110	0.6
102.02778	0.3
113.02460	11.2
119.03520	6.0
125.02464	0.4
131.03542	0.9
143.03531	1.4
149.04599	0.7
151.22792	0.3
161.04581	3.3
179.05661	2.2
219.06750	0.4
242.05923	0.4
257.08362	0.6
375.24094	0.4
410.69763	0.3
471.33401	2.7
489.34351	3.3
537.31641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03453	1.3
59.01386	100.0
60.01718	0.3
61.98846	0.4
69.03449	0.3
69.40150	2.2
69.40570	0.8
70.11147	0.4
71.01389	16.3
71.05053	0.6
72.99333	0.4
73.02960	5.3
73.55133	0.4
81.03481	0.3
83.01398	2.4
85.02960	8.2
87.00888	0.9
89.02460	1.9
89.98189	0.3
95.01404	1.6
96.96051	1.3
97.02969	0.9
98.95625	1.3
99.00896	2.5
101.02463	10.2
109.53325	0.3
111.00884	0.4
113.02464	9.0
119.05064	0.4
125.02478	0.8
143.03557	1.5
159.03020	1.3
161.04573	6.6
257.08249	1.0
269.16846	0.4
279.37576	0.3
297.28134	2.2
309.28015	1.9
311.29623	0.6
327.29025	5.9
327.32675	0.5
333.28152	0.5
351.29135	0.6
369.30316	1.4
371.11407	0.4
395.15463	0.5
471.33325	7.5
472.33856	0.6
489.16785	0.4
489.34393	5.6
490.34772	0.5
495.27423	0.7
531.23853	2.2
531.31049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03454	75.8
58.00582	1.4
59.01386	100.0
71.01386	18.1
72.99324	1.7
73.02948	7.5
80.58646	1.0
83.01402	3.4
85.02974	8.9
87.00872	1.5
89.02452	11.0
93.79734	0.9
95.01366	1.5
95.48324	0.9
96.96018	2.9
99.00928	1.5
99.04530	79.6
100.04880	1.3
101.02448	28.5
113.02464	9.8
119.03492	4.0
125.01539	1.4
125.02459	29.3
125.54775	1.1
143.03494	3.7
149.04565	3.0
161.04555	5.8
163.07611	1.7
166.25662	1.0
168.88101	1.0
179.05580	1.8
188.14131	1.0
213.09276	1.1
218.05267	1.1
224.70824	0.9
267.06937	1.2
281.08911	2.2
283.02448	1.4
327.08694	3.2
387.20255	17.5
411.81827	1.0
429.21490	4.9
469.24359	2.2
531.25146	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	531.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17895	0.9
55.01882	1.9
57.03456	74.7
58.00580	2.1
59.01385	100.0
60.01698	1.0
61.98835	1.6
69.03471	1.3
69.37547	7.7
71.01389	26.7
72.99326	1.9
73.02950	11.5
81.03461	1.7
83.01397	5.6
85.02959	11.0
85.55320	1.0
87.00889	2.8
89.02460	15.7
95.01360	2.0
96.96017	1.8
98.20673	1.9
99.00903	4.2
99.04530	67.4
101.02445	35.4
113.02447	11.7
116.92853	2.2
119.03522	5.2
123.00867	1.2
123.04535	3.3
125.02462	15.0
129.01964	1.2
131.03519	1.1
133.02995	3.1
143.03532	4.7
149.04590	7.1
149.09689	1.6
161.02448	2.3
161.04562	7.2
162.03220	1.4
164.17357	1.0
177.01912	2.9
194.98320	4.4
207.13908	1.7
225.14813	2.1
237.07680	1.3
237.11507	1.2
252.04201	1.4
263.37915	1.1
267.06750	4.1
320.83264	1.0
327.08792	3.8
335.35168	1.0
352.96811	1.0
383.24551	1.4
387.20233	13.6
399.24060	7.2
429.21234	6.0
438.11346	1.0
481.97351	1.1
489.27209	1.5
531.27850	20.7
532.25519	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	531.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81346	1.2
55.80396	1.1
57.03453	82.0
59.01384	100.0
69.03469	2.1
71.01009	2.3
71.01388	30.4
71.54869	2.0
72.99310	1.6
73.02953	21.3
75.00872	1.8
79.95750	1.4
81.03459	4.1
81.77190	1.2
81.95300	1.5
82.90891	1.2
83.01398	7.6
83.05090	1.2
85.02956	9.7
87.00857	3.7
89.02450	21.5
95.01389	1.9
96.96021	44.5
97.02989	1.3
97.06586	1.8
97.95891	1.3
98.95605	37.3
98.96416	5.3
99.00906	1.4
99.04527	92.7
100.04879	1.3
101.02451	44.4
112.23373	1.1
113.02441	15.3
113.06045	1.2
119.03513	11.2
120.30860	1.3
123.04535	6.9
125.02462	31.8
131.03481	3.4
141.05592	1.8
143.03487	6.4
149.04533	4.7
153.05666	1.4
161.04550	12.8
165.05586	2.0
179.05624	8.3
205.12410	1.7
221.06633	2.7
225.14883	1.4
267.07181	1.3
327.05170	1.2
364.59372	1.3
369.18997	1.4
387.20325	7.3
429.21558	7.2
451.58322	1.3
506.09448	1.3
531.24866	14.3
532.24579	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	531.2394
Annotation	Bistratamide F
Peak:m/z	Relative Intensity
51.14103	1.1
52.16375	1.1
59.01381	10.8
61.72689	1.1
71.01408	3.1
71.61341	1.3
73.48212	1.1
75.00874	3.7
79.05531	5.2
82.41972	1.1
83.01394	9.1
85.02956	4.2
87.00903	1.4
107.05030	13.3
113.02436	5.2
131.08698	1.5
133.02977	1.7
141.76575	1.2
157.06606	7.4
158.03749	1.6
159.04535	6.5
161.02444	1.4
161.06047	7.7
175.07657	41.9
176.07971	1.2
185.06108	1.8
186.03256	2.7
187.03972	1.3
190.06323	1.6
197.06065	2.7
197.09595	1.5
199.06088	1.1
199.07625	7.0
201.05582	9.5
202.06506	2.0
209.06029	1.5
212.08244	1.6
213.09221	11.5
219.06639	11.6
225.09230	18.8
227.07187	4.2
229.12819	1.4
241.04982	2.3
241.08665	9.3
242.09480	1.7
243.06593	14.5
249.06218	1.4
256.07391	4.8
257.08133	2.7
269.08218	67.6
270.05432	1.4
270.08536	4.0
281.24918	13.8
285.07690	100.0
286.08331	21.8
287.09229	23.2
288.06396	2.4
297.14923	1.7
318.07492	26.6
355.15390	1.5
399.12482	2.1
499.21176	4.1
531.23877	42.9
531.31641	16.3
532.24207	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	531.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52666	1.9
59.01385	23.4
71.55747	2.5
79.05553	6.3
82.19949	2.1
83.01413	10.0
107.05031	14.6
111.00898	3.1
120.83875	2.1
128.92657	2.3
133.03006	2.2
144.21025	1.9
157.06601	9.2
159.04501	4.4
161.06087	7.8
175.03990	5.2
175.07660	41.3
176.07968	2.3
180.05847	2.1
197.05978	3.2
197.09790	2.3
199.07639	2.6
201.05528	6.2
213.09264	23.6
219.06636	11.2
225.09279	12.7
241.08661	11.2
243.06699	11.0
256.07407	3.9
257.08112	4.1
269.08203	47.9
270.08527	2.0
285.07724	100.0
286.08383	12.2
287.09268	49.0
318.07462	18.0
363.25418	3.8
389.21222	5.3
433.20200	9.9
471.21780	2.9
499.21335	2.4
513.22992	2.3
531.23743	53.7
531.30988	8.1
532.24133	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	531.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83682	1.4
54.44249	1.4
59.01113	1.8
59.01387	24.6
63.43368	1.5
79.05529	4.4
79.87209	1.3
81.03414	1.6
83.01398	10.2
93.97929	1.5
95.01347	1.3
99.00890	2.0
107.05035	16.4
111.04522	1.7
117.03475	1.4
119.05069	2.4
128.05602	1.3
133.03061	1.9
155.03471	1.5
157.06587	8.2
158.03741	1.8
159.04562	1.7
161.06047	5.3
169.10266	2.0
175.07660	47.0
180.05753	1.7
186.03201	3.5
197.09714	3.2
198.06770	1.6
199.07683	5.4
201.05597	10.4
209.06125	1.5
211.07684	2.7
213.09221	36.3
214.09650	1.6
218.27505	1.4
219.04710	2.1
219.06528	9.5
224.31323	1.4
225.09232	15.3
227.07054	2.3
241.08723	10.3
243.06644	9.8
245.15363	2.8
251.61707	1.4
256.07544	2.1
257.08203	3.7
263.07126	2.6
269.08176	45.7
269.15387	1.8
270.05649	1.8
270.08557	2.9
272.78552	1.4
281.24786	4.7
285.07693	100.0
286.08319	11.5
287.09268	81.7
288.09534	3.1
297.15085	1.5
303.10458	6.6
304.10992	5.1
318.07407	11.4
372.70703	1.4
373.18103	27.8
391.18933	2.2
469.20242	2.3
471.21857	3.2
483.21201	1.9
487.25226	2.6
499.20905	2.2
513.23114	2.5
531.23914	65.7
531.31580	8.8
532.24170	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	531.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
56.99366	0.5
57.03450	3.8
58.00581	0.7
58.79274	0.6
59.01386	13.8
61.98828	2.5
67.01904	0.8
68.99813	1.8
69.03463	1.4
70.03055	2.3
71.01394	14.5
72.99327	3.3
73.02955	1.4
75.00883	10.7
83.01406	0.9
83.05034	2.0
85.02959	15.5
87.00890	7.2
89.02448	4.5
91.04021	0.7
93.03459	1.1
95.01392	3.2
96.96033	2.5
96.96575	0.5
97.02949	0.9
99.00887	6.8
101.02444	2.0
103.00394	1.4
109.02939	1.3
111.00883	1.6
111.04519	1.1
111.08156	0.9
113.02459	16.2
115.00380	1.8
117.01994	2.4
120.01276	1.0
121.06596	2.4
123.04524	0.9
123.08184	7.6
129.01970	1.6
131.03535	0.9
137.09720	0.7
139.00417	0.8
139.07626	0.7
145.10237	0.8
149.04581	0.7
149.06032	0.6
153.09192	0.9
160.01659	0.8
165.09146	0.6
167.03499	0.8
171.11809	6.8
175.02475	1.6
175.03909	1.0
189.09299	0.8
189.12848	2.1
193.05055	0.8
201.12872	1.5
207.13905	1.1
207.64943	0.5
210.96921	0.5
217.96390	0.5
231.05135	1.8
237.14951	6.6
238.15324	0.6
249.06181	24.0
250.06639	0.5
267.07245	28.2
268.07623	1.2
276.96854	0.5
281.14008	7.6
531.20898	100.0
532.21100	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	531.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.4
59.01387	30.6
65.45509	0.9
69.03438	1.6
71.01389	19.8
72.99283	1.5
73.02900	4.4
75.00843	4.6
83.01340	3.6
85.02960	15.4
87.00856	5.6
88.98763	2.0
89.02449	10.9
95.01323	2.8
96.96036	8.6
97.02927	2.0
99.00827	4.2
99.04504	1.8
101.02454	11.2
113.02461	16.6
114.06531	1.1
117.03416	3.4
118.94540	1.1
119.03440	2.9
123.04454	1.3
125.02362	3.4
131.03426	2.1
132.02194	20.7
133.02913	2.5
133.04890	1.1
134.03761	45.7
135.04497	1.7
137.05965	1.2
139.03992	1.1
143.03435	2.0
144.30434	1.0
147.04468	1.9
149.06102	6.0
160.01677	89.8
161.02100	3.1
161.04587	7.9
163.04013	1.6
163.51187	1.0
171.11691	2.2
175.04016	100.0
176.04704	6.3
177.01886	1.4
178.02632	2.1
179.05447	1.6
191.07155	5.8
193.05078	57.1
193.06947	5.9
194.05316	2.0
195.06525	1.3
207.06406	3.4
229.86713	1.4
231.73090	1.2
235.06139	21.7
249.06125	8.8
262.07986	1.1
265.06842	3.3
267.07190	7.9
281.13910	1.3
295.07950	3.8
333.01117	1.5
337.09027	4.3
357.09662	1.2
398.42813	1.0
406.87360	1.2
531.16711	98.5
532.17169	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	531.1512
Annotation	5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside
Peak:m/z	Relative Intensity
51.02845	0.5
54.03656	0.4
57.03451	2.1
58.00593	0.5
59.01387	47.5
61.98837	1.0
71.01389	6.1
72.99303	0.6
73.02955	2.3
82.95467	0.5
83.01376	1.2
85.01931	0.4
85.02950	2.0
87.00895	0.7
89.02460	4.0
96.96032	1.1
99.04523	2.2
101.02476	4.2
106.06640	0.4
111.76397	0.4
113.02460	2.8
119.03522	1.0
125.02454	0.6
132.02148	2.2
135.00917	0.5
136.03284	0.4
149.04550	0.8
161.04546	0.9
173.05969	0.5
179.05626	0.7
180.99678	0.6
195.04503	1.3
207.14072	0.5
208.05319	1.1
219.13858	0.6
223.04054	4.6
224.04784	1.8
231.55817	0.5
251.03452	4.0
252.04295	45.3
253.04716	2.2
267.06638	100.0
268.06943	3.9
297.03970	0.6
309.20718	0.8
312.06302	0.9
327.08810	2.0
375.27222	0.6
386.92572	0.4
399.19846	3.1
458.82904	0.5
466.01352	0.5
471.25934	0.5
489.26843	1.0
531.28534	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	531.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.9
58.00605	0.6
59.01387	22.0
61.98845	2.7
67.68916	0.6
69.03474	1.1
69.45832	4.2
71.01389	14.2
72.99312	1.8
73.02975	3.5
75.00882	1.7
81.03479	0.8
83.01407	2.1
85.02956	7.2
85.63239	0.7
87.00886	3.6
89.02452	8.9
89.03968	0.9
95.01407	1.9
96.96017	12.2
99.00909	2.2
99.04595	0.9
101.02440	8.7
113.02486	7.0
117.03491	2.8
117.97327	0.9
119.03522	2.1
120.01267	20.1
121.02974	0.9
123.04559	0.8
125.02469	1.6
129.01891	1.1
132.02194	20.3
133.02992	2.1
134.03758	42.8
135.04424	1.2
137.02434	1.5
143.03476	0.8
147.04526	2.4
148.05269	0.7
149.04816	0.9
149.06082	6.1
150.03357	0.7
160.01678	87.1
161.02008	3.8
161.04562	3.1
163.07616	0.7
165.05618	2.0
165.09216	1.4
175.04018	100.0
176.04594	5.9
177.01918	1.3
177.05554	1.0
178.02727	2.6
179.03458	1.0
179.05557	0.9
191.07161	5.9
192.07312	0.6
193.05081	60.5
193.07050	3.2
194.05441	2.7
207.06613	2.9
217.04964	0.8
217.64676	0.6
220.03831	0.6
221.08188	0.6
235.06134	23.0
249.06252	1.3
251.09386	1.0
265.07315	3.7
267.07016	0.8
277.07327	0.8
281.13840	0.7
295.08142	5.7
300.02740	0.9
309.08276	1.5
309.13403	2.3
327.14481	1.9
331.44440	0.7
337.09128	4.9
355.10114	1.3
357.10007	0.7
465.88992	0.7
531.17126	72.2
532.17090	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	531.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03451	12.6
58.00595	1.7
59.01385	80.4
60.01720	1.1
61.98832	2.5
71.00966	2.6
71.01384	20.6
72.99297	2.5
73.02950	11.0
75.00873	3.7
76.70284	0.9
79.95749	3.0
83.01387	4.4
85.02953	8.6
87.00886	3.8
89.02449	10.9
95.01429	1.3
96.96019	100.0
99.00880	3.0
99.04516	9.6
101.02456	16.8
111.00904	1.2
113.02449	10.5
115.00381	1.1
116.92868	1.6
119.03516	3.1
121.02939	1.1
125.02454	4.9
133.02998	2.5
135.03026	2.8
137.33876	1.0
143.03503	1.7
148.05270	1.5
149.04552	5.5
159.03027	1.3
161.04576	5.0
177.01984	1.7
179.05589	1.8
201.14658	1.0
223.03899	1.5
223.13367	6.1
224.04794	2.3
239.03488	1.6
240.04330	1.2
253.05002	1.3
267.03104	1.4
267.12476	2.4
267.16110	1.5
268.03723	8.1
281.08868	2.4
283.06143	26.4
284.06445	1.4
307.19223	1.8
308.19434	1.9
309.20276	1.8
327.21725	1.8
375.27664	1.8
387.20016	1.5
399.16489	3.1
399.23990	1.9
471.25925	4.6
487.12585	1.5
489.26965	2.5
513.19904	2.1
530.27130	2.6
531.21106	4.8
531.28253	34.8
532.28302	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	531.1148
Annotation	Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
57.03455	17.2
58.00597	2.6
59.01386	100.0
61.98796	2.5
69.41064	3.5
69.41474	10.9
71.01389	27.9
73.02944	14.4
75.00871	2.9
82.94469	2.0
83.01388	6.5
85.02940	10.1
87.00869	4.1
89.02442	20.3
95.01395	4.5
96.95980	3.3
98.20737	2.2
99.00892	4.0
99.04531	12.4
101.02444	24.0
107.05053	2.0
113.02470	14.2
119.03513	6.3
119.05038	2.9
125.02408	5.4
131.03491	3.8
132.69511	1.8
143.03522	1.9
145.02892	4.0
149.04578	13.6
161.04517	3.1
170.49362	2.2
201.11288	4.7
207.13933	2.5
211.04019	18.0
223.03999	1.9
239.03532	41.6
240.04199	6.6
252.04301	8.0
265.26828	2.0
267.02951	27.4
267.06604	23.9
268.03824	12.9
282.05408	21.3
283.06128	55.0
309.20685	5.9
399.19669	9.3
399.24438	4.4
471.25558	3.0
487.12582	24.3
488.12778	2.7
489.27002	4.5
531.28448	40.4
532.27856	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	529.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.7
57.41136	0.5
59.01386	13.4
61.98829	0.8
69.03486	0.5
69.47128	3.2
71.01390	7.5
72.99336	0.5
73.02945	1.6
83.01379	1.2
85.02952	2.0
89.02453	6.6
93.30219	0.5
95.01412	0.6
96.95998	2.4
101.02451	7.1
101.89749	0.5
113.02451	4.1
119.03531	2.6
121.10257	0.6
157.86133	0.5
161.04584	3.2
167.10646	0.6
171.10275	1.9
172.88112	0.6
176.37189	0.5
177.12914	0.8
179.05646	1.3
179.14363	0.6
192.61481	0.5
195.13919	8.8
201.39784	0.5
205.16014	0.7
211.13345	0.6
223.13391	5.3
224.13846	0.6
228.13733	1.3
239.12743	0.6
253.09309	29.7
254.09575	0.9
256.13260	1.5
261.89127	0.5
275.20187	5.7
293.21252	100.0
294.21552	5.7
318.42825	0.5
469.10562	0.6
492.21762	0.8
529.34052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28596	0.5
59.01378	2.0
61.98828	1.2
71.54333	0.5
76.91914	0.5
78.95913	17.6
81.23336	0.5
86.33347	0.5
96.96011	1.0
99.04538	0.5
152.99590	2.6
165.55765	0.5
168.04335	3.6
171.66478	0.5
184.05203	0.5
206.51895	0.5
224.06960	6.7
242.08076	2.3
255.23315	100.0
256.23590	6.0
277.21890	0.5
480.31000	62.4
481.31418	4.6
530.30920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48924	0.2
55.01877	0.3
57.03440	0.8
58.00611	0.6
59.01387	12.8
59.01693	0.6
60.62851	0.2
61.98830	0.5
69.03432	0.4
70.02567	0.6
71.01387	7.6
71.05033	2.6
71.44222	0.2
72.99290	0.6
73.02952	1.3
74.62912	0.2
83.01380	1.1
83.05036	0.4
85.02946	2.0
87.00870	1.0
89.01940	0.4
89.02457	7.3
95.01389	0.7
96.96012	1.1
97.02925	0.3
99.00871	0.4
101.02450	8.3
111.08167	0.3
113.02473	3.9
119.03511	1.7
120.62563	0.3
121.10194	0.8
125.02481	0.3
125.09760	0.5
131.03584	0.3
133.05077	0.3
141.12694	0.3
143.03506	1.0
146.52440	0.3
149.04570	0.4
161.04564	3.4
162.83937	0.3
171.10257	1.2
175.07700	0.3
177.16515	0.4
179.05650	1.5
183.13887	0.8
191.18112	0.5
195.13899	0.4
209.15439	1.1
211.13242	0.3
217.15923	0.4
219.17561	0.3
221.15472	1.0
223.17039	1.9
225.84729	0.3
227.33943	0.3
231.21121	1.5
233.15388	0.4
235.08205	0.8
235.17047	21.4
236.17432	0.9
237.18591	0.5
253.09312	29.4
254.09602	0.8
275.20178	26.5
276.20532	1.6
293.21252	100.0
294.21573	6.2
421.42947	0.3
489.36121	0.3
501.25812	0.3
529.11615	0.7
529.29944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03430	0.5
59.01387	15.1
61.98822	0.7
69.03437	0.5
71.01388	7.1
71.55170	0.4
73.02935	0.8
73.23431	0.4
77.16814	0.4
83.01387	1.2
83.05010	0.6
85.02957	1.8
87.00882	1.1
88.63657	0.4
89.02448	5.8
95.01411	0.8
96.96027	3.1
99.00893	0.7
101.02454	7.5
101.61753	0.4
108.86063	0.4
111.08180	0.6
113.02454	4.0
113.09694	0.4
116.92889	0.6
117.92895	0.7
119.03505	1.7
119.04929	0.5
123.04549	0.6
125.02415	0.6
131.03572	0.5
143.03484	0.9
151.00359	0.5
161.04541	3.8
167.03522	1.4
175.04030	1.1
179.05623	1.0
179.14389	1.4
195.13914	7.6
196.14598	0.6
201.01895	0.5
211.13553	0.5
223.13417	4.6
228.13646	0.7
235.17081	3.3
253.09308	31.8
254.09631	1.1
256.13208	0.8
265.21896	0.6
275.20190	9.5
293.21252	100.0
294.21594	6.4
373.16721	0.5
377.10062	1.0
449.05246	0.6
529.12018	0.7
529.25140	0.6
529.33789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91778	0.8
59.01385	46.4
60.60703	0.8
61.98826	3.2
63.06829	0.8
63.91695	0.7
67.66370	0.8
69.03513	0.9
71.01385	14.1
71.05026	2.6
71.54977	1.2
72.38489	0.9
73.02944	3.7
83.01386	2.4
83.05013	1.3
85.02946	3.5
87.00861	2.1
89.02448	11.5
95.01429	1.2
96.26409	0.8
96.96014	3.5
99.00876	1.4
101.02450	11.6
113.02485	7.7
119.03508	4.1
137.02534	1.0
137.92400	1.0
146.08221	1.0
157.08749	0.9
161.04575	5.1
177.16405	1.1
179.05627	1.6
201.02428	1.0
201.91754	0.8
225.09169	1.0
231.21213	2.7
235.08186	1.8
235.17041	51.2
236.17430	1.5
253.09299	44.5
264.83035	0.9
275.20166	68.1
276.20450	3.9
277.12167	1.3
293.21246	100.0
294.21643	6.0
330.01569	1.0
529.19470	1.0
529.27020	1.2
529.34839	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31371	0.2
55.01880	0.5
57.03455	0.9
58.00605	0.4
58.19679	0.2
59.01384	14.6
61.98832	0.3
64.36517	0.2
69.03458	0.3
71.01390	8.6
71.05031	3.1
71.30021	0.2
72.99318	0.5
73.02953	1.6
76.96535	0.2
83.01412	0.9
83.05064	0.4
85.02952	2.1
87.00911	0.9
87.04536	0.3
88.98811	0.4
89.02455	6.8
94.78298	0.2
95.01421	0.9
96.96040	0.9
97.02981	0.3
97.06619	0.3
99.04538	0.3
101.02450	9.2
113.02455	4.0
119.03487	2.0
122.01094	0.2
125.02441	0.3
131.03534	0.2
133.05116	0.5
143.03558	0.9
147.44331	0.2
161.04584	3.8
173.54834	0.2
177.16484	0.4
179.05638	1.4
205.16013	0.2
209.15492	1.5
217.15959	0.4
219.17599	0.5
221.15529	0.6
223.16977	1.7
231.21234	1.5
233.15439	0.2
235.08211	0.6
235.17053	22.2
236.17491	1.2
237.18542	0.4
253.09309	29.6
254.09669	1.0
275.20175	27.0
276.20477	1.5
289.64941	0.2
293.21249	100.0
294.21567	6.2
444.21301	0.3
463.07492	0.2
529.34149	0.5
530.23969	0.3
555.38507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.9
55.94068	0.9
57.03453	5.0
58.00597	1.9
59.01385	100.0
59.32059	0.9
60.01722	0.8
61.12436	0.8
61.98829	2.0
63.26076	0.8
68.99845	0.9
69.03463	2.3
70.84505	2.7
71.01389	60.6
72.01768	1.1
72.99313	3.1
73.02953	16.3
75.00874	3.3
78.95061	0.9
78.95885	1.7
80.91680	1.1
81.03472	2.1
83.01398	11.9
85.02958	36.8
87.00893	6.8
89.02451	22.8
93.03459	3.2
95.01404	5.9
96.76093	0.9
96.96018	3.8
97.02952	5.4
97.06590	1.2
99.00890	34.6
99.04560	2.3
101.02452	23.7
107.04928	1.0
109.02968	3.1
111.00890	1.6
113.02464	39.7
115.04011	1.5
119.03493	8.0
121.02982	1.5
125.02467	10.4
127.04042	1.3
130.32346	0.9
131.03503	2.2
135.02998	10.0
137.02454	6.7
143.02429	1.8
143.03517	25.3
148.05316	34.0
149.04562	4.5
155.03539	5.7
159.03009	0.8
161.04597	9.8
163.03992	2.0
163.07658	15.8
167.03493	1.3
178.06331	1.2
179.05632	4.4
193.08723	1.3
203.05659	4.2
205.12376	1.2
219.13860	1.0
222.64246	0.9
227.05632	2.3
281.04678	1.5
281.08148	1.1
282.02490	1.0
307.19189	4.9
323.09778	7.0
365.10971	3.2
469.24112	1.4
487.25565	3.0
511.25702	2.0
529.19745	1.6
529.26697	37.1
530.27002	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	529.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91426	0.5
55.45139	0.6
57.03452	3.8
59.01386	20.1
61.98846	0.6
68.99830	1.4
69.03458	1.2
70.71944	0.9
71.01388	16.8
72.99323	3.8
73.02953	3.4
75.00883	10.5
80.96568	0.6
81.03494	1.0
83.01413	1.4
83.05030	1.0
85.02961	16.5
87.00887	7.8
88.98798	0.6
89.02466	6.1
91.04004	1.2
93.03448	1.3
95.01399	4.3
95.05040	1.3
96.96015	3.2
97.02957	3.0
98.20744	0.5
99.00895	6.5
99.04533	0.7
101.02471	3.2
103.00380	1.6
107.05087	1.0
109.02975	3.0
109.06602	1.7
111.00878	1.0
111.04530	1.7
113.02459	18.8
115.00340	1.1
117.01977	1.4
119.08698	1.0
121.02950	0.9
121.06616	1.6
122.03743	4.1
123.04566	1.0
123.08186	0.7
124.05336	3.1
125.02496	1.0
125.06083	0.8
127.04082	0.6
129.01962	2.0
131.03539	1.5
134.03793	1.2
137.06078	2.8
137.09761	0.8
139.07660	12.8
147.03058	0.8
147.08261	1.1
149.06099	0.9
153.01973	0.6
153.09270	1.3
157.01483	0.9
159.04727	0.6
161.04611	1.0
163.07693	1.9
163.11372	0.9
165.09264	0.7
168.07994	2.3
168.60435	0.6
173.04533	0.6
173.06123	1.7
175.02487	1.6
175.03960	0.8
177.12888	1.5
179.05698	0.6
187.11343	7.0
189.05618	1.2
189.09218	1.0
190.10057	1.0
191.07240	0.6
193.05020	0.8
205.12357	11.0
217.05081	1.6
231.05174	2.4
231.10312	2.1
235.13441	1.5
249.06175	27.2
250.06610	1.1
261.11401	1.5
267.07236	26.7
268.07715	0.8
279.12463	2.3
344.81512	0.6
469.24567	1.5
511.18546	1.8
529.19470	100.0
530.19733	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	529.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88166	0.5
54.93657	0.5
55.01886	1.0
57.03452	2.4
58.00596	0.7
59.01384	13.1
60.06476	0.5
61.62365	0.4
61.98846	0.5
67.01868	1.0
68.99818	1.7
69.03463	1.4
70.17257	2.1
70.79127	0.4
71.01392	12.3
72.99310	3.0
73.02963	1.7
75.00879	11.2
81.03461	0.7
83.01393	1.6
83.05038	0.6
85.02956	12.7
85.06590	0.9
87.00877	5.1
89.02445	4.1
91.04041	0.5
93.03450	0.9
95.01390	3.6
96.95990	1.5
97.02937	3.6
97.06600	1.2
98.20603	0.5
99.00883	5.6
101.02433	0.9
103.00363	1.4
109.02995	2.3
109.06595	1.1
111.00846	0.5
111.04572	1.5
113.02463	17.2
115.00394	1.2
117.01953	1.3
119.08685	0.8
121.06603	0.9
122.03745	4.2
123.04498	1.0
123.08164	0.6
125.02319	0.5
129.01927	1.9
134.03760	1.6
135.08125	0.5
137.02481	0.7
137.06084	3.2
139.07663	3.5
147.08176	0.6
149.06081	0.6
161.04495	0.6
163.07704	0.8
163.11345	0.8
168.07890	0.9
175.02495	1.4
175.57751	0.4
177.12787	0.7
178.02718	0.8
187.11287	4.3
189.09250	1.2
190.10081	1.4
193.05005	3.1
199.57275	0.6
202.09926	0.5
205.07126	0.6
205.12354	8.6
207.05022	0.6
217.12308	1.1
218.93184	0.5
231.05096	1.4
231.10350	1.6
235.13489	1.4
249.06158	23.6
250.06554	0.9
261.11279	0.8
267.04318	1.2
267.07211	22.4
279.12363	5.1
323.15085	0.5
499.18622	0.6
511.18390	1.2
529.19318	100.0
530.19672	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	529.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47198	0.2
55.01887	0.4
57.03447	0.7
59.01385	14.1
61.98820	0.4
69.95660	0.4
69.96053	0.7
71.01388	5.6
72.99319	3.0
73.02959	2.0
75.00879	30.2
83.01402	0.9
85.02965	1.8
87.00878	0.8
89.02451	6.7
95.01405	0.6
96.96002	1.0
98.20631	0.5
99.00880	1.0
99.04540	0.8
101.02455	3.2
109.00933	0.3
113.02458	2.1
117.01950	2.0
119.03517	1.2
135.03009	100.0
136.03339	1.2
143.03503	0.4
148.05325	13.3
149.04590	0.4
149.05751	0.3
151.00401	0.3
161.04585	0.7
163.07654	11.7
179.05629	0.5
187.14975	0.4
205.12418	0.5
231.13855	0.3
242.43748	0.2
289.18109	0.3
307.19351	0.8
411.20352	0.7
448.79474	0.3
513.15118	0.3
529.15704	0.5
529.26208	3.9
529.76886	0.9
556.00763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	5.4
60.10938	1.2
61.98830	1.5
69.52206	0.9
76.26033	1.0
79.95708	1.2
85.54215	1.1
85.55616	1.0
89.60735	1.0
96.96025	57.9
98.76138	1.1
99.92593	1.4
107.05020	4.5
115.92152	1.7
121.02944	1.9
122.03703	1.7
123.48456	1.3
125.06141	1.1
127.55830	1.1
135.04547	10.8
149.91415	1.2
151.00381	3.4
157.06523	1.7
173.06042	1.3
175.07620	1.8
183.08305	1.6
195.08067	1.3
197.09689	1.1
199.07512	1.4
201.05565	1.6
211.07706	2.4
211.13240	1.3
212.08440	1.6
213.09201	4.4
219.06662	2.2
223.07730	2.0
225.09230	20.0
226.09924	6.5
237.09193	5.2
238.09923	1.2
243.06697	3.1
256.07379	4.1
263.10785	1.7
265.12317	2.3
285.04333	1.6
291.10315	2.2
305.11899	1.8
307.17032	10.2
345.18607	1.4
347.20111	14.0
365.21219	2.5
373.17966	7.6
377.10306	1.9
378.65857	1.1
391.19226	15.9
392.19403	2.6
409.20227	100.0
410.20578	8.1
431.17252	2.3
447.14789	3.8
492.12354	2.8
493.12759	8.1
511.13879	2.0
529.15247	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	529.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51299	1.1
52.95900	1.0
56.99809	1.1
57.03444	3.7
59.01387	61.4
61.98842	2.8
62.50308	1.2
63.57806	1.4
69.37462	10.8
71.01392	20.5
73.02956	10.5
75.00874	1.9
83.01402	3.2
83.05046	1.5
85.02971	6.1
87.00901	2.2
89.02451	12.7
95.01415	2.7
96.18984	1.3
96.96033	5.0
97.06569	1.3
98.19904	2.5
99.00886	3.8
99.04507	2.2
101.02455	16.3
108.02234	2.3
109.02952	4.7
113.02455	11.5
117.03416	1.9
119.03469	1.7
120.01257	1.1
121.02985	4.0
122.03782	1.7
125.02457	3.3
131.03539	2.9
133.02943	2.1
135.04544	2.9
143.03592	1.9
146.03801	3.2
148.01686	3.7
149.02420	3.3
149.04579	8.8
152.96948	1.2
159.04489	1.8
161.02461	22.2
161.04561	5.1
167.08653	2.0
171.04515	4.2
179.10776	2.7
190.15794	1.2
191.08803	2.0
193.10211	2.0
195.08141	3.1
219.08156	1.9
222.06876	3.2
235.07620	4.9
236.08438	29.3
237.09213	100.0
238.09550	5.4
240.05235	1.2
279.10571	1.3
280.07446	6.8
281.08206	77.3
282.08630	4.0
307.19052	3.3
316.83810	1.3
351.75601	1.4
485.14563	60.1
486.14838	4.0
487.25470	2.1
528.75854	3.6
529.26831	19.2
530.26605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17665	0.8
59.01370	3.1
64.46716	0.8
65.00314	0.8
65.45411	0.8
72.10934	0.8
79.95756	2.0
80.00928	0.8
83.05012	1.6
86.22273	0.8
96.96022	53.3
99.02014	0.8
99.92594	1.6
107.01367	1.0
107.05067	4.8
108.02160	1.1
119.05004	2.5
123.08124	0.9
134.03842	1.2
135.04518	13.3
136.05331	1.0
143.05037	1.5
149.02411	1.4
151.00363	5.6
157.06570	2.7
169.06683	1.1
171.08075	1.1
173.09679	1.1
175.07617	1.0
185.06081	2.6
185.09740	1.0
195.08185	0.9
199.07744	1.1
211.11360	1.2
213.09218	3.6
225.09227	6.8
226.09998	7.4
227.10773	1.1
237.09242	1.1
242.05872	1.2
243.06569	6.0
251.14433	3.2
263.14429	2.4
265.08749	3.9
277.16055	5.8
277.18576	1.2
285.04160	3.8
295.17041	12.6
321.18588	4.5
325.04163	1.0
347.19992	2.5
354.01498	1.0
356.17480	0.9
365.21243	10.4
377.10123	3.1
391.19174	59.3
392.19449	4.8
409.20224	100.0
410.20602	6.1
431.17441	1.6
447.14929	5.1
492.12265	1.9
493.12872	5.2
511.13956	4.8
529.15778	10.5
552.50677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27061	0.1
57.03461	0.9
59.01384	4.8
62.35025	0.1
63.86886	0.2
71.01389	1.7
71.55347	0.2
72.99302	0.3
73.02949	1.0
75.00845	0.2
79.95746	3.1
80.96532	0.2
85.02957	0.8
87.00891	0.3
89.02448	1.0
89.34418	0.1
93.03492	0.2
95.01384	0.3
95.97451	0.1
96.96021	100.0
97.95939	0.2
99.00870	0.3
99.02972	0.1
99.04541	0.9
101.02448	1.4
113.02449	1.5
119.03551	0.3
123.04546	0.2
125.02435	0.3
131.03545	0.2
137.02467	0.4
143.03653	0.2
149.04475	0.2
154.99872	0.1
161.02449	0.2
161.04570	0.4
165.09203	0.3
227.45912	0.2
246.15675	0.2
249.06186	0.2
263.07791	0.2
267.07416	0.3
281.08685	0.2
301.18835	0.2
311.05524	0.2
315.01740	0.2
325.16852	0.2
367.12509	0.5
371.67828	0.2
431.10034	0.4
451.31879	0.2
469.24561	0.6
487.25961	0.3
497.17181	0.2
499.18054	0.2
529.17828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09597	1.1
59.01378	4.2
61.98838	5.1
69.85659	5.6
75.00874	1.2
78.95908	1.5
79.95727	2.9
83.01412	1.2
84.21557	1.0
85.02957	1.1
87.00864	1.6
88.98848	1.2
89.02451	3.3
93.03502	1.4
96.92005	1.2
96.96021	100.0
96.96993	2.5
101.02458	1.6
113.02414	2.1
123.04538	12.6
125.02419	1.1
133.05028	2.3
139.00398	16.2
149.04556	1.7
154.02719	27.0
167.03503	49.8
168.03824	3.4
169.05078	40.0
177.45462	1.2
191.03549	10.1
209.04564	4.2
249.06151	1.7
329.08801	32.2
330.09106	2.7
331.10324	41.3
332.10654	2.5
529.12756	9.4
530.13904	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
68.91550	44.2
78.51825	42.8
89.99409	53.1
108.02145	50.0
167.03490	100.0
168.76434	46.7
181.41109	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78419	0.4
61.66953	0.5
66.38128	0.5
67.29162	0.4
67.36613	0.5
70.26509	1.2
70.26902	1.4
75.36999	0.4
85.10413	0.5
99.07357	0.7
119.05042	2.2
127.86689	0.6
141.59492	0.5
143.05043	10.9
144.05774	1.6
149.02440	0.8
157.06606	8.5
159.08174	100.0
160.08553	3.4
161.02498	1.0
175.04025	1.3
187.11333	1.4
198.42288	0.6
203.07161	5.8
217.08662	0.6
229.08742	1.5
243.10316	3.5
245.15434	1.1
255.10379	0.8
255.50822	0.6
271.13461	0.8
283.13199	0.6
339.19824	1.3
367.22800	51.4
368.23102	4.7
484.50186	0.6
527.31824	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	527.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
59.01387	18.8
70.69023	3.2
70.69341	1.9
71.01389	23.8
72.99300	4.0
73.02987	1.9
75.00876	19.1
83.01417	1.8
85.02959	28.9
87.00878	10.0
89.02451	4.7
95.01387	8.2
99.00887	12.5
103.00399	5.4
113.02460	38.9
115.00357	1.5
117.01952	3.7
129.01953	2.1
131.03569	2.0
141.14798	1.3
175.02472	2.4
205.07222	3.4
222.51036	1.2
231.05141	1.7
249.06224	11.0
267.07230	8.8
277.21747	67.7
278.22064	5.1
336.25424	1.6
353.28201	1.6
367.09299	1.3
428.21442	1.4
470.63742	1.4
480.52872	1.7
495.79410	1.6
509.27786	1.9
527.28748	100.0
528.29053	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	527.2137
Annotation	Dutasteride
Peak:m/z	Relative Intensity
50.19591	0.8
55.01881	1.0
57.03441	3.9
59.01115	1.4
59.01385	19.4
61.98834	7.3
67.01880	1.6
68.99818	3.2
69.03459	2.7
71.01386	19.0
71.55394	0.8
72.99287	0.9
73.02941	3.4
83.01398	3.0
83.05009	1.3
83.58275	0.8
85.02954	16.7
87.00861	4.5
87.40467	0.9
89.02458	4.2
91.04025	2.0
93.03465	1.4
95.01387	3.6
95.05058	0.9
96.96016	26.1
97.02945	1.7
99.00870	1.6
101.02462	5.6
107.05035	1.4
108.02160	1.0
109.02951	1.6
111.00906	1.4
111.04522	2.0
113.02459	18.2
113.06128	1.2
121.06583	1.1
122.03772	2.0
125.02407	1.2
125.06081	2.6
129.01871	1.0
131.03525	1.1
135.04556	2.8
135.08159	1.3
136.05263	2.8
137.02446	1.1
138.06883	3.1
139.00407	1.0
139.07651	3.8
145.06564	1.1
148.05334	2.2
151.07664	7.7
152.08415	1.8
153.09221	1.3
161.09767	1.4
163.07631	3.7
174.03473	0.9
185.09743	1.3
189.09215	1.4
201.12845	14.2
203.10835	5.7
203.12627	1.3
204.11551	12.4
205.07120	2.8
219.11670	1.2
219.13904	25.1
220.14200	1.5
230.09517	1.7
237.11253	1.0
245.11862	6.5
249.06200	2.5
263.07758	23.0
263.12869	11.7
281.08783	16.5
314.40131	0.9
333.02307	1.0
335.20856	2.3
422.09036	1.0
467.24561	2.5
495.18713	3.7
527.21320	100.0
528.21698	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	527.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27769	0.4
59.01380	2.7
61.98839	1.1
63.38441	0.4
63.96249	0.8
65.00340	0.5
70.18283	1.8
71.01389	5.5
73.02949	2.2
75.00900	0.4
78.98596	4.6
79.95744	6.9
80.96523	49.4
81.03468	0.6
83.01392	0.9
85.02972	2.3
87.00864	2.1
88.28242	0.4
89.02457	0.5
94.98099	12.7
95.01382	1.0
96.96042	0.7
97.02948	1.3
101.02476	3.3
106.98112	2.6
107.01378	0.6
113.02463	0.6
115.00359	1.0
122.97607	4.8
125.01652	0.4
125.02438	2.7
127.03999	0.7
134.97588	3.7
136.99130	0.8
137.02527	0.5
137.16368	0.5
148.99168	4.4
151.00362	1.1
152.98640	7.1
156.28882	0.4
164.98642	8.4
179.00069	0.6
179.13683	0.4
182.99725	2.1
188.98703	0.6
206.99632	2.4
209.11819	3.0
225.00757	17.0
243.01747	1.6
268.00525	0.4
299.04544	2.0
313.03421	0.8
328.04102	0.8
358.56091	0.5
373.05688	0.5
446.58423	0.6
467.09222	1.0
482.09555	0.5
527.18042	100.0
528.18347	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	527.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06178	0.4
55.01874	1.5
57.03450	1.0
59.01385	32.9
69.03454	0.9
70.39085	0.4
71.01387	15.2
72.99316	0.9
73.02951	16.6
73.80206	0.4
81.03473	0.5
82.31860	0.4
83.01388	5.8
85.02962	4.0
87.00883	1.8
89.02453	2.7
93.03478	0.7
95.01417	0.6
96.96024	4.6
97.02944	2.1
98.19856	1.0
99.00897	1.6
101.02450	17.8
109.02955	0.4
111.00910	0.5
113.02455	4.0
119.03527	0.6
119.05064	0.5
124.65353	0.5
125.02468	0.8
131.03532	1.5
133.06604	0.8
135.09302	0.7
139.07605	0.7
143.03482	0.6
145.06673	0.8
145.07719	4.7
146.04903	1.5
147.04517	0.8
149.04532	1.2
149.06137	0.5
159.09311	1.2
160.05089	0.7
160.06436	13.6
161.04599	3.5
161.07216	67.2
162.07558	1.3
173.07378	0.9
173.10831	2.2
175.04005	0.5
175.08774	18.2
177.05623	0.6
181.08804	0.5
185.10866	3.4
187.08763	2.7
189.06709	100.0
190.07060	3.9
199.08815	0.8
201.10329	8.2
203.05708	2.4
203.08273	16.3
203.11877	14.1
204.08731	0.5
204.12274	0.8
217.09869	1.1
221.04573	1.7
221.06712	1.9
227.08258	0.6
229.09825	15.9
230.10173	0.7
231.07759	0.9
241.09932	0.6
245.09398	1.3
257.09412	0.7
263.07767	2.4
269.09357	0.6
277.11942	2.1
287.10458	2.8
301.56494	0.5
305.11447	40.6
306.11734	2.1
311.92053	0.4
313.03528	1.0
321.13345	0.9
323.12457	4.6
347.12500	0.8
394.11725	0.5
467.09192	1.9
467.16620	12.1
467.59567	1.1
468.17184	1.5
482.09680	1.1
485.17841	9.3
486.18018	1.2
489.19992	0.5
527.18842	30.4
528.19196	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	527.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35336	0.9
57.03439	1.5
59.01385	100.0
59.97568	1.0
71.01376	4.9
73.02955	1.6
83.01356	1.2
85.02985	1.4
87.00903	1.4
89.02467	1.3
92.62057	1.1
92.78389	1.3
101.02470	2.1
107.05021	2.6
109.02977	1.4
109.06610	1.3
111.04525	2.1
113.02448	3.6
115.00359	1.2
119.03516	1.2
121.02955	1.8
121.06612	1.5
122.03741	2.8
123.04537	1.8
123.08174	1.6
124.05297	3.3
125.06073	1.5
125.43363	0.9
133.06613	9.5
137.06024	2.7
139.06630	2.4
139.07654	28.2
149.06071	3.2
151.07651	2.8
156.06758	1.3
169.08708	7.6
181.08720	16.4
187.11244	4.3
189.05553	4.9
201.09210	1.5
205.12354	5.4
210.09010	6.2
211.09760	19.3
217.12398	2.5
231.10236	1.2
235.13438	3.2
241.12350	2.2
243.10185	3.4
261.11307	7.4
273.11108	1.2
279.12564	5.9
285.11334	3.5
292.03113	1.3
303.12323	7.7
321.13474	22.7
322.13928	1.6
327.05029	1.8
345.13443	3.4
363.14456	4.5
438.66730	1.4
447.09286	2.2
527.16931	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	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	78.8
61.98840	22.8
69.03468	2.9
69.57647	4.0
69.58063	12.4
71.01388	67.0
72.99344	3.5
73.02958	14.9
75.00882	6.2
84.47321	2.4
85.02972	12.2
87.00901	7.2
89.02456	100.0
90.02813	2.4
96.96008	17.7
99.00890	23.1
101.02453	48.0
113.02449	17.4
119.03536	5.8
119.05019	3.5
120.01231	2.9
121.03019	2.7
125.02460	9.7
131.03510	18.7
149.04578	72.8
151.03976	2.7
161.04584	7.4
163.04027	3.6
165.01845	3.3
179.05548	4.5
191.05615	13.5
221.06686	4.7
233.06613	3.5
251.07782	8.5
293.08716	8.1
315.41443	3.7
348.97714	3.1
405.14014	3.5
433.83514	2.9
466.19351	49.1
467.08859	4.9
490.16425	3.0
526.16473	8.1
533.97095	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	527.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96305	0.4
59.01380	1.2
61.98820	1.2
67.76768	0.5
69.82082	1.1
69.82487	0.9
71.01393	1.2
76.27032	0.4
81.03447	2.0
83.01396	1.2
89.02450	0.8
95.05021	0.5
96.96053	1.9
101.02442	0.6
123.04535	20.9
124.04910	0.5
125.02451	3.7
135.04530	0.4
139.03979	0.6
148.01688	0.4
149.02408	0.8
149.04536	0.4
151.00375	1.0
151.04031	0.6
163.03999	1.0
165.01912	0.4
167.03511	100.0
168.03838	3.3
169.88861	0.3
175.00386	0.6
181.05103	2.0
191.03516	17.5
192.03831	0.9
209.04556	7.4
221.04541	1.7
223.03114	0.4
269.06775	0.5
325.30432	0.4
329.08807	61.3
330.09137	2.9
527.11591	3.5
527.17474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.0
93.19371	1.4
103.05524	1.4
105.88584	1.3
107.05026	1.7
126.14375	1.3
135.04539	5.7
137.66017	1.2
173.06116	1.5
174.06868	3.8
178.18359	1.3
202.19196	1.3
225.09177	1.6
234.73256	1.4
237.09088	1.4
243.17535	2.0
249.09193	5.5
258.16278	15.0
269.19131	2.9
289.12299	2.2
291.13809	3.0
295.17023	1.5
302.15359	9.3
303.13849	9.3
315.13922	2.5
317.11942	1.7
331.17081	1.7
343.16907	1.8
345.20844	3.4
357.18588	3.4
359.20068	3.9
371.20197	2.0
411.23462	1.7
423.19745	1.8
463.29907	3.1
481.31250	28.5
482.31525	2.9
507.29083	40.3
508.29398	4.8
525.30090	100.0
526.30438	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	526.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61189	2.0
58.70788	2.1
59.01386	11.7
61.98829	17.5
64.02921	2.3
69.45721	13.6
69.46128	4.4
71.01387	6.6
73.02925	3.8
85.02965	3.8
87.00879	2.3
89.02447	6.5
107.01395	3.6
142.41975	2.5
149.04573	7.2
151.00378	7.0
175.03854	2.6
178.99864	5.2
226.02737	2.9
236.63812	2.8
243.02968	7.8
251.15207	2.3
255.03029	24.4
271.02509	43.6
290.83600	2.6
300.02765	83.1
301.03619	41.4
429.13324	3.0
463.08847	100.0
464.09216	8.6
527.17792	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	525.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64159	0.8
60.28531	0.6
62.29182	0.6
69.27920	6.2
98.19871	1.2
107.05058	1.7
111.90746	0.6
223.07671	1.1
232.24863	0.7
235.07719	0.8
236.08292	1.0
237.09151	1.4
249.09265	5.7
250.09840	0.7
255.09077	0.8
259.11340	0.9
261.09155	1.5
261.12183	0.6
277.08725	1.0
287.10913	1.1
289.12408	1.8
291.10831	0.8
291.13861	4.3
301.12405	0.8
303.10480	0.6
303.13846	11.2
304.14355	0.7
311.82803	0.7
315.10358	1.2
317.11761	2.4
329.11771	0.8
331.16962	0.9
343.16910	3.2
357.18668	1.1
359.20203	3.3
367.13406	0.7
371.20270	1.6
381.14923	1.0
383.16687	3.9
395.16629	1.9
401.21246	2.2
423.19638	3.6
463.30197	1.0
464.31143	0.8
481.31161	13.3
482.30933	1.1
507.29041	30.4
508.29120	3.5
525.30121	100.0
526.30518	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
56.86432	1.5
57.03449	3.0
58.00577	2.2
59.01385	100.0
60.01705	2.9
61.98827	4.0
64.85164	1.4
71.01388	52.9
71.54567	2.1
73.02953	13.3
83.01424	2.6
85.02954	13.1
87.00872	2.8
89.02454	73.2
93.78608	1.3
95.01367	1.5
95.58411	1.6
99.00890	5.7
99.04507	1.9
101.02452	37.9
113.02462	12.3
115.07673	1.8
119.03511	4.4
119.05039	21.6
120.29775	1.7
125.02473	2.6
125.06152	2.0
129.01961	2.4
131.03508	18.6
143.03499	4.0
145.02910	1.6
149.04572	54.6
152.07184	2.3
161.04541	5.3
163.04036	22.9
177.48615	1.5
191.05646	9.9
251.07793	2.4
325.09195	1.8
375.27301	6.2
376.27832	13.9
377.28140	12.5
377.93356	1.5
393.22894	1.9
440.27890	1.6
465.25046	2.0
483.25934	2.3
524.85583	1.6
525.19568	2.1
525.32373	6.6
550.31897	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	525.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
56.86432	1.5
57.03449	3.0
58.00577	2.2
59.01385	100.0
60.01705	2.9
61.98827	4.0
64.85164	1.4
71.01388	52.9
71.54567	2.1
73.02953	13.3
83.01424	2.6
85.02954	13.1
87.00872	2.8
89.02454	73.2
93.78608	1.3
95.01367	1.5
95.58411	1.6
99.00890	5.7
99.04507	1.9
101.02452	37.9
113.02462	12.3
115.07673	1.8
119.03511	4.4
119.05039	21.6
120.29775	1.7
125.02473	2.6
125.06152	2.0
129.01961	2.4
131.03508	18.6
143.03499	4.0
145.02910	1.6
149.04572	54.6
152.07184	2.3
161.04541	5.3
163.04036	22.9
177.48615	1.5
191.05646	9.9
251.07793	2.4
325.09195	1.8
375.27301	6.2
376.27832	13.9
377.28140	12.5
377.93356	1.5
393.22894	1.9
440.27890	1.6
465.25046	2.0
483.25934	2.3
524.85583	1.6
525.19568	2.1
525.32373	6.6
550.31897	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	525.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49833	0.5
59.01365	0.7
71.05023	0.6
71.55401	0.7
99.92627	0.7
100.33836	0.6
106.52998	0.5
107.05025	1.3
108.02222	1.3
116.92893	2.5
121.06579	0.6
123.04530	0.5
133.06735	0.5
133.37346	0.6
136.01674	32.4
140.07784	0.5
145.06612	1.5
149.06087	1.1
156.68130	0.5
159.04536	0.8
163.07689	3.0
165.01883	0.6
167.03484	0.7
168.00612	0.6
172.05280	2.9
173.06090	10.5
175.04028	2.2
175.07634	1.6
189.05557	2.1
190.06372	10.9
191.07150	100.0
192.07500	2.9
194.64890	0.5
194.95670	0.5
197.04539	0.8
201.05577	1.5
219.06641	8.4
245.19144	0.8
258.18088	0.5
271.16986	1.1
273.15088	1.4
289.18112	0.9
291.19809	0.6
304.54761	0.5
315.16113	0.8
319.16061	0.5
333.17090	1.5
335.18689	0.7
409.20218	1.6
440.21698	1.3
463.24921	4.0
464.25507	0.7
481.26074	5.6
482.26883	0.8
525.24945	33.3
526.25439	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	525.2497
Annotation	Absintholide
Peak:m/z	Relative Intensity
57.03484	0.3
57.84811	0.2
59.01385	0.4
59.17546	0.2
60.99313	0.6
69.57082	1.0
69.57493	0.5
71.31625	0.2
78.72186	0.2
84.46801	0.2
93.07143	0.3
95.01376	0.3
98.19987	0.5
107.05125	0.3
108.02177	1.3
119.08672	0.3
128.20058	0.3
136.01677	15.3
137.02118	0.4
145.06621	0.3
147.04594	0.3
147.60474	0.2
148.01695	0.4
149.02411	0.6
149.06105	0.3
159.04445	0.3
161.02429	0.4
163.07655	4.1
165.01930	0.4
167.03510	0.7
172.05257	0.8
173.06093	2.7
175.04030	2.2
175.07671	0.4
176.04765	0.6
189.05569	2.5
190.06371	10.9
191.07152	100.0
192.07483	3.4
206.00389	0.3
215.99379	0.2
217.08702	1.9
219.06654	0.6
231.13873	0.5
273.15063	0.3
289.18100	0.4
291.19598	0.7
315.16000	0.5
333.17108	0.9
335.18576	0.5
453.26471	0.3
463.24933	2.6
481.19449	0.4
481.25937	6.1
482.26419	0.6
525.24884	30.1
526.25214	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	524.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.98835	100.0
64.37831	0.9
71.55471	1.5
83.29945	0.9
89.68018	1.0
95.05010	1.3
97.06566	1.3
107.04993	1.1
110.03757	1.6
113.06089	1.2
125.06068	1.8
135.04549	1.6
143.07108	1.5
161.06071	7.3
219.06746	1.5
225.09258	4.7
226.09937	5.5
237.09152	1.4
241.12416	6.1
242.12770	1.4
275.53149	1.1
293.15540	1.1
295.17035	2.8
296.17355	4.3
299.16544	4.4
339.16199	5.2
340.16360	7.5
355.15515	1.9
356.15738	5.7
373.16574	4.1
393.20331	1.1
398.33234	1.1
435.56024	1.1
482.72339	1.3
524.27185	5.9
525.28101	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	525.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45530	5.0
51.73131	4.8
57.03434	7.0
59.01384	53.7
61.98824	15.3
67.17554	5.9
69.03463	10.8
69.34867	15.7
69.35307	25.3
71.01398	23.2
73.02946	9.7
83.01385	6.2
83.05029	9.3
85.02959	8.8
87.17503	4.5
89.02503	6.2
99.00908	9.7
101.02452	13.7
113.02436	6.4
122.95173	4.9
123.08150	4.4
144.23558	5.0
151.11285	6.1
161.09776	9.2
179.10791	25.9
181.12320	6.9
197.11844	82.7
209.08302	10.9
209.11832	80.6
219.06583	8.5
225.11320	19.3
227.12950	13.6
241.10841	16.7
289.18033	16.1
297.03876	6.4
297.13553	6.8
315.14569	20.7
351.75842	4.5
357.22766	6.8
489.27087	59.7
497.19318	6.5
500.44067	4.9
525.26825	100.0
526.27295	6.7
529.54401	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	524.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.2
61.98823	2.7
62.82364	0.4
68.21169	0.4
69.18038	3.9
71.01395	2.1
73.02950	2.2
73.68014	0.4
75.00906	0.5
79.31722	0.5
80.05067	0.7
83.01400	0.7
84.91378	0.4
85.02940	0.8
89.02448	0.7
90.86109	0.4
93.69209	0.5
94.06626	3.1
101.02449	1.0
102.03493	0.8
104.05069	1.2
106.06631	0.8
107.03782	6.3
108.04582	0.7
110.96828	0.4
120.04569	0.8
121.05370	1.1
122.06132	33.5
123.08173	0.5
124.07673	1.8
130.02946	0.6
132.04565	6.9
134.06136	3.7
136.04037	1.0
138.05588	0.6
139.02754	1.4
144.04634	0.8
147.03152	0.5
148.04016	0.6
149.04851	0.6
150.05611	1.6
152.07184	64.5
153.07500	1.7
158.02448	2.4
160.04044	4.0
161.04692	1.1
162.05598	1.9
164.03593	0.7
166.05090	0.6
172.04086	1.3
174.05586	1.2
176.03493	3.3
176.07214	0.9
177.25073	0.4
183.09355	0.8
184.07658	0.5
190.05098	7.2
191.05501	0.8
209.07117	0.6
211.08853	0.7
211.12404	2.0
212.10828	0.8
215.11876	1.7
223.08781	4.9
224.09494	4.0
226.07434	0.7
227.08267	0.8
236.09595	1.2
237.10275	1.9
238.11157	1.0
239.08244	0.9
239.11913	18.2
240.10268	1.9
240.12410	0.8
241.09776	2.0
250.07466	0.6
251.08298	0.7
251.11852	3.3
253.06186	4.5
253.09717	1.3
254.06842	0.8
255.07784	0.9
255.11374	1.9
256.08435	0.7
263.08102	0.6
265.09906	2.5
266.10651	0.6
267.07773	3.4
267.11423	2.5
268.08606	3.6
269.08655	0.6
271.10849	1.1
279.08078	0.6
279.11191	0.8
280.08548	2.3
281.09390	1.5
281.12802	0.8
282.10211	0.9
283.10895	44.3
284.11346	3.0
293.09235	0.7
295.10889	9.5
296.11505	1.0
297.12341	0.7
307.11041	0.7
309.12289	0.8
311.10352	0.6
312.11298	2.3
323.10410	1.1
325.11887	0.6
327.09686	0.6
338.09348	0.4
341.11288	2.3
355.12967	1.7
373.25610	0.8
375.27469	1.7
376.27744	2.1
391.27112	5.5
392.20090	0.6
392.27359	6.2
402.18283	0.7
404.19949	0.9
420.19394	3.1
430.17459	0.9
448.18781	48.7
449.19058	4.0
464.18188	1.5
474.16660	2.0
480.21194	2.1
492.17786	100.0
493.11478	0.5
493.18173	8.6
523.34113	0.8
524.20483	13.1
524.32312	1.4
525.20758	1.5
525.29883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36098	0.9
57.03436	2.6
59.01370	3.9
61.98841	1.4
65.14799	0.8
70.01723	4.5
71.01384	3.2
73.02944	2.0
75.00887	1.0
85.02962	1.8
89.02459	1.4
94.06642	4.0
94.52592	0.9
98.20618	1.2
101.02440	2.0
106.06642	0.8
107.03792	8.7
121.05417	0.8
122.06133	45.7
124.07723	1.4
132.04567	13.1
134.06139	5.2
135.06863	1.2
139.02765	2.0
144.04593	1.4
147.03220	2.0
150.05594	2.2
152.07188	92.7
153.07541	2.3
158.02455	4.5
160.04021	5.0
161.04588	0.9
162.05623	1.6
164.03590	1.1
166.05167	0.9
167.05823	1.1
172.04050	1.7
174.05690	1.5
176.03564	6.8
176.07181	1.6
190.05121	19.8
191.05800	1.6
211.12253	1.4
215.11917	2.7
221.62215	0.9
223.08795	4.1
224.09523	4.0
225.08185	0.9
225.10262	0.9
227.08411	0.8
236.09457	1.0
238.11014	1.4
239.08293	1.0
239.11903	16.3
240.10379	4.3
241.09726	2.1
249.10237	1.1
251.08218	2.1
251.11864	3.5
253.06203	5.3
253.09862	0.9
255.07709	1.9
255.11383	1.4
265.09781	2.3
267.07730	3.4
267.11417	3.6
268.08524	4.0
279.07736	1.6
279.11176	1.2
280.08548	3.1
281.09201	1.9
283.10892	57.0
284.11292	3.6
293.09482	1.0
295.10861	13.4
296.11407	2.1
297.12448	1.6
312.11276	4.6
315.13455	2.7
323.10538	1.5
324.11105	1.0
326.12433	0.9
341.11496	4.9
355.12955	3.7
375.27496	23.2
375.31995	1.8
376.27863	21.1
391.27017	4.3
392.27460	4.4
420.19586	2.7
448.18781	45.2
449.19119	4.6
464.17706	1.5
472.14468	1.0
480.21396	9.3
492.17792	100.0
493.18091	8.2
523.31476	3.1
524.20422	56.4
524.31470	7.9
525.20874	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	524.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39734	0.5
59.01388	2.9
61.98824	1.9
69.28892	1.3
69.29310	2.8
71.01382	1.0
104.05096	0.5
108.08224	2.8
110.02497	0.7
112.04031	2.1
116.05088	3.4
121.05350	4.0
123.03294	6.0
124.04078	3.5
130.02951	0.7
132.03082	0.8
132.04564	9.0
134.06081	0.6
135.03244	0.8
136.07695	100.0
137.08026	2.1
138.04559	1.1
138.05621	18.9
140.07214	0.8
150.09235	1.0
153.04320	1.6
158.02493	3.4
160.04063	17.2
164.07190	3.8
166.05072	0.6
172.04050	0.7
175.75169	0.5
176.03537	4.5
182.04599	1.7
184.06187	3.4
190.03490	0.8
190.05124	11.2
191.05701	0.9
192.06682	47.6
193.07016	1.5
197.84888	0.5
204.06677	2.2
212.10884	0.9
213.14063	0.8
228.10255	0.6
240.08873	0.5
241.13470	2.2
252.09039	0.6
253.13358	0.9
255.11429	1.5
256.09995	0.7
267.11563	0.9
271.07126	0.6
281.09631	0.9
281.12985	2.2
293.09375	1.3
299.10297	0.6
307.10953	0.7
309.12463	19.5
310.12805	1.4
313.15573	1.0
339.13522	11.8
341.15082	54.9
342.15466	3.4
404.19797	1.2
405.18484	0.9
420.15726	1.6
421.17807	1.7
425.05615	0.5
430.17657	1.0
448.18793	12.1
449.17801	1.6
452.18509	0.9
462.20435	1.6
474.16745	2.2
480.21497	1.9
492.17813	21.7
493.18253	2.3
506.19290	2.9
524.20459	7.6
525.20996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.9
61.98837	100.0
64.51757	0.3
70.73013	0.7
71.01387	0.6
73.02944	0.4
85.02959	0.3
132.03090	0.5
165.04117	0.4
168.30875	0.3
188.72269	0.3
213.09299	1.4
234.34784	0.3
523.35071	0.4
524.35608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63826	0.6
59.01384	7.2
59.94879	0.6
60.11741	0.6
61.98833	3.0
66.95486	0.5
69.17024	6.2
71.01384	2.5
73.82861	0.6
75.00899	0.6
101.02474	1.2
104.05119	1.0
108.08207	2.7
110.02486	1.2
112.04057	2.3
113.02487	0.9
116.05085	4.3
116.24639	0.6
119.46370	0.5
120.04550	0.7
121.05345	5.1
123.03277	6.6
124.04089	3.7
125.30611	0.6
130.03041	0.8
132.04568	9.3
135.03307	0.7
136.07697	100.0
137.08026	2.3
138.05620	20.5
146.49200	0.6
150.09219	1.5
152.03635	1.0
153.04329	2.0
158.02481	2.6
160.04059	19.0
164.07172	3.3
166.05087	0.9
169.25441	0.6
172.04091	1.0
176.03519	4.1
182.04610	1.6
184.06177	2.6
190.05135	10.7
191.05661	0.8
192.06686	48.2
193.07039	1.7
204.06715	1.6
212.10889	0.8
228.10271	0.7
241.13504	2.1
241.91161	0.6
251.08195	0.6
253.13402	0.7
255.11400	1.6
256.09875	0.8
267.11349	1.2
272.35043	0.6
281.09286	2.6
281.13025	2.1
293.09482	1.1
307.10968	0.8
309.12494	28.9
310.12848	2.0
313.15656	0.8
339.13486	13.6
340.13806	0.8
341.15082	46.7
342.15439	2.7
365.72327	0.7
404.19992	1.3
405.17847	1.4
416.70215	0.7
420.15344	0.9
421.17612	0.8
430.17764	3.3
448.18860	10.4
449.17853	2.6
462.20270	1.6
464.18381	1.2
464.77939	0.7
474.16861	2.5
480.21863	0.7
492.17844	13.0
493.18253	0.8
506.19379	2.1
523.33325	0.7
524.20551	4.9
525.20532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23772	0.3
57.54598	0.4
58.95308	0.4
59.01384	3.2
61.98836	100.0
71.01387	1.2
73.02943	0.7
79.51565	0.5
88.04100	0.7
89.02466	0.5
94.94756	0.4
101.02455	0.8
107.03819	0.5
114.75638	0.4
115.00397	0.6
122.03760	0.9
122.06141	0.9
132.03067	1.8
136.07697	0.5
152.07191	2.1
153.07584	0.7
165.04089	0.7
213.00262	0.4
213.09236	12.0
214.09618	0.5
225.96674	0.4
271.11841	0.7
341.54730	0.5
430.18201	0.6
436.19733	1.4
475.44797	0.4
480.18625	0.6
506.20181	0.5
523.34790	0.7
524.17719	2.8
524.35114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
57.03456	4.6
58.00605	0.5
59.01387	22.4
59.70090	0.4
60.04631	0.4
61.48819	0.4
61.98838	2.6
68.99837	0.7
69.03455	0.9
70.37235	0.8
71.01387	23.6
71.05044	0.7
72.99326	1.6
73.02952	11.1
75.00904	1.7
83.01385	4.7
85.02958	13.3
85.03451	0.8
85.06594	0.6
86.00129	0.7
87.00880	3.4
87.04553	1.0
89.02455	2.7
95.01418	2.1
96.96055	0.7
97.02984	0.9
97.06597	0.8
98.20040	0.5
99.00879	4.3
101.02449	20.0
105.01959	1.2
107.52226	0.4
111.00902	4.3
113.02465	8.7
119.03546	0.7
122.06165	1.2
125.02494	0.9
129.01991	1.5
137.02493	0.5
147.03061	1.6
149.04683	0.6
152.07159	3.1
153.07584	0.6
155.14476	0.6
159.03067	1.6
161.04544	3.3
165.04068	5.4
183.14055	1.1
185.11943	0.7
185.15567	1.7
199.13448	1.1
201.15147	0.6
229.18021	2.8
242.02130	0.5
243.16101	1.0
251.20349	0.8
267.07407	1.2
270.76266	0.5
281.09363	0.5
282.09793	1.1
283.11234	0.5
294.09885	1.0
329.23517	1.6
333.57797	0.5
345.26651	1.8
345.68860	0.4
357.26703	1.8
359.24265	0.6
359.28320	1.9
361.29608	14.2
361.33820	0.8
362.30127	1.2
373.26044	0.6
375.27515	49.8
376.27866	4.2
391.27335	1.2
405.21405	0.7
447.17712	2.2
448.18958	0.6
472.71069	0.5
482.46771	0.5
491.16956	0.6
492.18094	0.9
497.09427	0.5
497.17712	0.5
505.34116	0.7
506.56998	0.5
521.33466	0.8
523.35168	100.0
524.20898	2.1
524.35431	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	523.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.2
57.03453	7.1
58.00602	0.8
59.01388	17.5
61.98846	3.1
67.85113	0.4
69.03479	1.3
71.01390	23.3
71.05027	0.6
72.99333	1.3
73.02957	11.9
75.00883	1.4
83.01394	5.8
83.05049	0.6
85.02960	15.9
85.03475	1.0
85.06598	1.0
86.00100	1.0
87.00877	3.0
89.02461	3.4
95.01391	2.4
97.02986	0.6
99.00903	4.0
100.80640	0.4
101.02454	20.0
111.00887	3.1
113.02461	9.2
122.06161	2.3
125.02493	0.8
129.02005	1.4
131.03552	1.0
132.04601	0.9
135.03046	1.3
143.03519	0.6
143.10831	1.8
147.02991	0.6
149.04597	1.0
152.07207	5.0
155.10748	0.5
159.03026	2.2
161.04552	3.9
171.10303	0.6
183.13960	0.9
187.11974	0.4
187.13364	2.3
190.05099	0.9
193.05223	0.6
201.15115	0.9
209.11876	0.4
224.02135	0.5
229.18173	1.8
239.11952	0.7
243.16077	0.7
264.30219	0.6
267.07831	0.6
283.10922	2.3
315.25464	1.7
329.23575	1.3
331.17798	1.9
349.18774	3.8
357.26758	1.2
361.29633	12.2
362.30225	0.8
373.26028	0.6
375.27539	36.4
376.27893	2.8
391.19739	4.5
391.27017	10.0
392.20645	0.6
392.27365	1.0
433.52258	0.5
447.18353	0.5
448.19055	2.5
450.17096	0.5
463.22067	1.3
492.17697	5.0
523.35144	100.0
524.20392	2.6
524.35419	9.6
545.49182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03449	5.1
59.01387	8.4
60.01730	0.5
61.98835	1.8
66.54813	0.4
69.03445	0.8
69.21516	4.2
71.01392	6.5
71.05029	0.5
73.01820	0.5
73.02962	5.5
75.00886	1.7
83.01370	0.8
83.05032	0.5
85.02962	2.6
85.06614	1.7
87.00880	0.9
87.04532	3.5
88.98825	1.1
89.02460	3.6
95.01374	0.7
95.04993	0.5
96.95968	0.7
97.06592	2.4
99.00902	1.2
101.02464	3.4
108.02201	0.6
109.02972	1.1
113.02467	2.0
115.07601	0.5
119.03506	0.5
122.03767	0.4
122.06137	0.6
123.08118	0.7
125.09733	1.3
131.03520	0.6
137.09732	0.6
139.07712	0.6
141.09270	0.5
149.04556	2.0
152.07132	0.5
155.10823	0.9
159.10286	0.7
161.02525	0.5
169.12373	3.3
171.10283	11.0
172.10612	0.6
173.11845	0.7
179.05594	0.5
181.12366	0.5
185.11798	1.2
187.13399	4.1
199.13429	2.5
203.12805	0.9
209.11848	1.5
227.13016	0.6
229.05075	0.8
241.14479	0.9
354.58350	0.5
355.24738	0.5
357.22598	0.8
361.16629	1.2
371.23987	0.6
373.25995	8.2
374.26318	0.6
375.27530	10.6
391.27036	100.0
392.27408	7.3
463.21744	1.5
481.26620	0.9
492.18134	0.6
523.32159	30.3
524.32635	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	523.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
57.03458	5.2
59.01382	5.9
61.98835	9.7
69.03453	1.1
70.55608	0.9
71.01386	6.7
71.05014	0.8
73.02950	2.7
75.00883	1.7
83.01387	1.3
85.02943	2.8
85.06587	1.0
87.00881	0.9
87.04564	0.5
89.02453	1.4
93.07099	0.5
95.01350	0.5
99.00890	1.8
101.02457	3.7
111.00814	0.6
113.02441	2.1
119.03542	0.4
121.02877	0.4
122.06106	1.5
124.68508	0.4
125.09739	1.1
129.01947	0.9
145.02971	0.8
147.02991	2.3
152.07185	2.6
155.14433	0.5
161.04521	0.8
171.10297	1.3
183.13940	2.7
187.13376	0.9
201.14975	0.9
209.11839	0.5
229.18173	0.4
239.11862	0.4
243.15987	1.4
269.63583	0.4
271.02490	0.5
283.10861	1.2
295.55606	0.8
299.02075	0.8
311.22314	0.4
327.25339	0.6
329.23404	3.3
331.17651	0.5
349.18686	1.4
357.26428	3.1
359.24377	0.5
361.29306	1.2
373.25903	1.9
374.26303	0.6
375.27530	100.0
376.27853	6.8
391.19800	2.4
391.27017	9.0
393.23981	0.6
448.18793	2.0
492.18015	3.3
523.14392	1.1
523.30939	31.2
524.31592	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	523.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49572	0.3
55.01873	1.7
57.03457	3.1
58.00587	0.6
59.01386	24.2
60.01682	0.4
61.98837	4.0
69.03464	1.1
71.01015	0.6
71.01389	10.8
71.05025	0.6
71.55775	0.5
72.99315	0.8
73.02952	4.7
75.00877	3.2
78.35817	0.4
83.01398	1.5
83.05028	0.6
84.79951	0.3
85.02950	6.4
85.87281	0.4
87.00880	1.5
87.04514	0.5
89.02468	2.5
92.76735	0.4
95.01378	0.9
97.02945	1.0
97.06586	0.7
99.00870	2.4
101.02460	7.7
105.01927	0.9
107.03779	0.6
108.10081	0.4
108.10858	0.4
111.00877	1.3
113.02447	4.0
113.09690	0.4
118.82607	0.4
119.03538	1.2
122.06126	1.8
123.08193	0.8
125.02418	0.8
125.09709	0.6
127.11254	0.6
129.01991	1.8
134.03752	0.5
139.11293	0.8
141.09373	0.5
141.12936	0.4
143.03465	0.6
147.03021	1.5
152.07198	2.6
157.12317	1.4
159.02982	0.5
160.01663	0.5
161.04536	1.4
165.04065	5.0
169.12311	0.7
171.10266	1.0
171.76215	0.4
175.03967	0.6
185.11775	2.0
229.18213	0.4
251.20071	0.4
311.22446	0.7
315.25516	0.4
327.25403	0.5
329.23294	2.8
339.25220	0.5
345.17123	0.5
355.24683	0.6
357.26447	4.0
359.28210	0.5
361.29483	4.2
373.25919	2.6
375.27527	100.0
376.27902	7.5
447.17761	0.6
479.18359	3.2
481.24609	0.5
523.32019	20.7
524.32483	2.0
524.34033	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.8
57.03448	7.4
59.01384	51.2
61.98811	1.6
63.34587	1.0
69.03449	2.1
71.01385	40.2
72.99323	1.6
73.02953	20.2
75.00865	1.5
83.01405	7.1
83.04996	1.0
85.02960	22.9
87.00883	4.7
89.02450	19.9
90.37077	0.9
95.01383	2.5
97.02953	2.8
98.19867	3.1
99.00887	6.7
101.02453	34.2
104.78969	1.0
109.88483	1.2
111.00863	3.6
113.02460	15.7
119.03506	3.5
122.06158	2.5
125.02430	3.0
131.03474	7.4
143.03517	2.1
147.03021	1.5
149.04565	8.7
152.07167	1.4
157.12317	1.1
159.03001	2.2
160.01642	1.9
161.04552	10.3
162.98924	1.1
165.04022	1.5
167.46227	1.0
179.05598	2.0
183.13882	1.8
185.11824	1.3
189.41052	1.1
191.05559	2.4
221.06718	5.1
229.18073	1.6
282.09528	2.0
292.58514	1.2
293.08710	1.3
299.60999	1.3
329.23477	1.5
331.17587	16.7
353.11105	1.2
357.26477	2.4
361.16309	1.6
361.29523	14.2
373.25793	2.5
375.27509	100.0
376.27533	5.8
391.26883	7.3
405.10217	1.1
442.11154	1.4
447.17227	1.3
463.21906	20.4
464.21988	1.7
492.17499	1.6
523.35443	76.3
524.35956	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	523.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	3.5
61.98841	1.3
69.87864	1.1
69.88254	1.5
71.01377	1.3
75.00919	0.6
94.06641	4.6
97.75583	0.7
101.02420	0.8
106.06617	0.7
107.03787	12.0
120.04603	0.7
121.05373	1.0
122.06135	50.4
123.06493	1.0
124.07671	1.4
130.96834	0.5
134.06184	3.3
139.02756	2.3
142.34715	0.6
150.05603	1.7
152.07188	84.9
153.07498	3.0
158.06175	0.9
183.64212	0.6
190.05101	0.8
194.09744	2.6
195.06854	0.9
196.07721	1.7
208.07701	0.8
209.48071	0.6
210.09262	3.4
212.07393	0.7
222.05566	1.0
222.09317	1.0
223.06381	10.1
224.07024	1.7
225.07985	0.7
226.08925	0.9
236.07224	2.9
237.08008	1.0
238.08746	13.3
239.05814	1.4
239.09200	0.8
240.06514	1.0
240.10345	1.8
250.08777	1.8
252.06587	1.2
254.08221	3.5
255.08844	1.3
264.06552	1.0
266.08234	1.1
267.05383	2.4
267.09045	1.1
268.09781	1.1
270.11380	23.1
271.11829	0.9
280.06195	0.7
282.07767	9.0
282.11307	1.9
287.22327	0.8
294.07898	3.2
314.10355	6.0
315.11148	0.8
326.10486	1.8
345.01404	0.7
345.16089	0.9
357.12299	1.3
357.16354	0.7
361.15533	0.9
370.55167	0.8
373.15741	1.5
375.17087	1.8
403.16776	4.9
407.19928	3.6
419.16147	1.4
435.19284	30.9
436.19431	3.2
447.15570	2.0
451.19034	1.4
477.16727	0.9
479.18323	20.4
480.18536	1.6
495.17984	2.2
505.16394	4.2
522.44952	0.7
523.17249	100.0
524.17413	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	523.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	1.7
59.01387	25.4
60.01699	1.7
61.98831	2.4
71.01386	6.5
73.02971	2.3
85.02959	1.4
85.84001	0.8
85.97739	0.9
89.02451	2.6
93.77407	1.0
94.06644	2.5
101.02455	3.1
107.03770	11.8
113.02445	2.8
120.04494	1.1
122.06131	49.4
123.06462	1.1
133.03001	1.1
134.03760	1.4
134.06119	1.9
139.02765	2.6
150.05591	2.6
152.07190	92.2
153.07524	3.5
158.06049	1.2
161.04454	1.1
178.02704	1.2
186.77570	0.9
194.09807	0.9
195.06956	2.4
210.09183	4.3
223.06386	18.3
224.06934	1.5
236.07283	1.7
238.08780	11.8
247.09901	1.1
250.08727	1.4
254.08148	1.2
267.05411	1.0
270.11383	30.3
271.11600	1.7
282.07751	7.5
282.11035	1.5
301.15115	1.1
314.10199	1.3
345.17163	1.5
375.16901	1.0
389.15768	1.5
391.20685	1.5
403.16409	2.7
435.19263	100.0
436.19611	8.9
447.15738	3.7
462.31711	2.2
463.31741	2.8
479.18292	36.3
480.18567	2.9
480.33109	1.4
522.33600	4.2
523.17065	6.8
523.34149	7.2
524.17590	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03452	1.9
59.01382	16.9
61.98836	100.0
69.25791	4.8
69.26186	1.2
71.01389	8.6
72.01744	0.6
73.02946	7.8
78.93084	0.5
79.32867	0.5
83.01393	2.7
85.02956	3.4
86.03262	0.8
87.18714	0.6
89.02458	1.5
95.01392	0.9
99.00881	0.8
101.02452	10.8
102.02797	0.6
102.63041	0.5
111.00862	1.1
113.02454	4.1
119.03533	0.7
122.06187	0.7
125.09772	0.8
131.03511	0.9
143.03511	0.6
149.04594	1.1
152.07202	2.1
159.03247	0.7
161.04575	3.1
171.10321	1.3
215.12898	5.4
216.13179	3.0
225.25778	0.6
229.18158	1.1
281.09418	1.2
293.09198	0.6
361.29449	0.6
368.04300	0.7
372.24994	1.0
373.26068	0.7
374.26511	1.5
375.27512	3.0
389.25510	4.6
390.25769	6.7
391.27313	1.7
392.23816	1.1
446.17535	1.3
521.33661	6.0
522.19702	0.9
522.34503	9.6
523.30969	1.3
536.46405	0.7
542.29059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25265	0.4
55.01879	4.3
57.03456	7.3
58.00596	1.1
59.01384	25.1
59.46977	0.5
60.01717	0.5
61.98838	17.8
69.03477	1.0
71.01387	31.2
71.05032	0.5
72.99315	1.5
73.02954	14.4
75.00877	0.9
83.01390	6.5
85.02958	19.6
85.06589	0.9
87.00875	3.6
87.93816	0.5
89.02450	3.9
93.07101	4.6
95.01397	3.2
97.02972	0.7
97.06599	0.8
99.00887	5.4
99.08141	0.7
101.02453	30.5
109.02943	0.6
110.85083	0.5
111.00876	4.0
111.63180	0.5
113.02456	13.6
119.03519	1.2
123.08236	0.9
125.02448	1.4
125.09745	1.6
129.02016	1.6
131.54494	0.6
137.02483	0.7
139.07727	0.5
141.01973	0.6
143.03479	1.1
143.10783	2.7
145.90559	0.5
149.04597	0.6
159.03017	3.0
161.04565	8.9
171.10300	1.4
179.03531	1.0
185.11812	1.1
199.13478	0.6
215.12872	6.3
229.18082	8.1
230.18486	0.6
239.10902	0.9
243.16191	0.9
301.02719	1.2
314.04181	0.6
315.05048	0.9
316.05188	1.5
317.05844	1.4
317.10483	3.4
327.22131	1.0
341.23862	0.6
343.24936	0.9
359.28036	6.8
371.24512	1.7
373.25934	29.0
374.26459	2.3
389.25458	17.1
389.30237	1.0
390.25970	1.3
391.23370	19.1
392.23972	0.7
461.31372	1.2
485.31561	0.8
491.32190	2.6
503.32523	1.1
521.12512	2.1
521.33551	100.0
522.33936	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	521.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.9
57.00414	0.4
57.03453	5.1
58.00606	0.8
59.01386	22.1
59.93651	0.4
60.38026	0.4
69.03467	1.0
69.32681	3.0
71.01389	31.4
71.05046	0.5
72.01727	0.4
72.99318	1.7
73.02953	12.8
74.24835	0.4
75.00887	1.9
81.03478	0.5
83.01398	6.9
84.02207	0.4
85.02964	18.3
85.06593	1.0
85.33365	0.4
86.00139	0.6
87.00889	3.7
87.04546	0.7
88.74986	0.4
88.98849	0.7
89.02454	5.6
93.07102	4.4
95.01408	3.2
97.02995	0.9
97.06597	1.2
98.19912	0.8
99.00892	4.5
99.04531	0.6
99.08162	0.6
101.02455	28.3
102.02804	0.8
104.71241	0.4
107.03831	0.4
111.00879	4.4
111.08146	0.4
113.02462	12.8
119.03528	1.3
122.06164	0.6
123.08202	0.9
125.02474	1.4
125.09748	1.3
129.01984	1.3
131.03513	0.8
139.07674	0.8
143.03549	1.4
143.10835	1.0
147.11919	0.5
152.07220	1.1
153.09193	0.6
157.08725	1.6
157.12398	0.5
159.02991	3.7
161.04561	8.5
171.10304	1.8
177.02007	0.7
179.05693	0.4
185.11838	2.8
199.13416	1.3
201.11308	2.1
209.15550	0.7
215.12952	0.9
220.59032	0.4
229.18106	10.4
243.15903	0.7
281.09454	1.5
284.68927	0.4
293.09131	0.6
305.15820	0.4
355.24829	2.5
359.28104	9.3
360.28564	1.0
371.24701	1.0
373.25974	11.2
374.26270	0.7
375.27603	0.4
389.25497	20.4
390.26053	1.6
391.23370	16.8
391.28430	0.7
392.23648	0.8
432.38931	0.4
446.17459	1.5
461.31314	1.6
485.31430	0.7
491.32285	1.6
503.32224	0.6
521.33533	100.0
522.33844	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	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.9
57.03447	5.7
59.01387	23.9
61.98837	20.7
62.98519	0.7
69.78345	3.1
71.01388	28.6
72.01730	0.7
72.99326	1.4
73.02955	16.1
75.00865	1.2
83.01397	7.2
85.02960	16.3
85.06610	0.7
86.29332	0.5
87.00870	2.6
89.02439	3.1
93.07116	3.2
95.01415	2.2
97.02966	1.0
98.20574	0.6
99.00872	4.8
101.02453	25.6
109.02956	0.6
111.00900	4.0
113.02455	10.7
119.03550	0.9
125.02382	0.8
125.09762	1.0
129.01988	1.5
137.02472	1.6
138.03194	0.7
143.03517	1.3
143.10820	1.9
149.04591	0.8
157.08759	0.8
159.02980	3.4
161.04561	7.2
164.01115	0.7
171.10330	0.9
179.03514	1.0
201.11433	1.5
215.12910	6.3
225.17589	0.5
229.18103	9.0
239.10817	1.3
243.15970	1.1
248.18488	0.5
274.04291	0.5
301.02612	1.0
316.05106	0.9
317.05826	1.7
317.10391	7.3
318.10541	1.0
327.40555	0.5
359.28079	6.1
360.28497	0.6
371.24500	1.2
373.25943	15.6
374.26395	1.3
389.25479	12.2
389.30353	1.0
390.25610	0.8
391.23380	15.4
392.23538	0.8
461.31299	1.8
485.31064	0.7
491.32632	1.3
503.32617	0.8
521.12329	1.9
521.33490	100.0
522.33838	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	521.291
Annotation	N-Methylepiamauromine
Peak:m/z	Relative Intensity
50.60666	0.6
54.41108	0.7
57.03429	0.8
57.95506	0.6
59.01378	2.5
71.55762	1.1
73.38040	0.8
78.95930	0.9
79.05492	0.8
79.72928	0.7
83.05031	0.9
96.89417	0.7
96.96004	1.2
97.06603	1.8
103.82394	0.7
107.05025	2.2
108.02185	1.3
109.06609	0.7
119.03764	0.7
119.05024	1.0
123.04589	0.8
128.89252	0.7
135.04504	0.9
139.07610	0.8
147.04539	7.8
148.05316	4.1
152.99596	2.6
161.02496	0.8
167.03479	1.6
175.07538	0.8
185.10808	0.8
187.07658	2.1
195.11755	0.9
201.09203	1.0
202.09998	8.0
211.07597	1.0
212.08514	1.4
225.09253	5.1
226.10014	1.1
227.10718	2.2
237.09193	1.2
239.07182	0.9
239.10783	9.6
241.12457	1.4
249.09357	0.8
251.10719	4.9
253.05038	6.3
255.10329	1.1
267.06577	2.4
269.08154	2.5
277.12509	0.9
283.09756	17.2
284.10266	0.9
291.13803	1.0
293.15497	83.9
294.12845	1.5
294.15887	4.2
295.16953	2.4
301.10995	1.5
305.15619	1.5
308.17880	1.6
309.15134	1.6
313.13242	0.7
319.13437	2.3
337.14542	4.6
339.15939	1.8
340.16745	1.6
352.16769	1.1
353.13962	8.8
371.20242	0.8
373.21759	1.7
384.15906	1.5
385.23846	3.1
403.37405	0.8
431.26068	1.3
433.20676	0.7
477.30209	9.7
521.29138	100.0
522.29639	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	521.2609
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
55.01883	2.2
57.03453	2.8
58.00584	1.2
59.01384	44.1
60.01721	0.5
64.40566	0.3
67.75636	0.4
69.03449	1.1
69.21146	3.6
71.01387	37.9
72.01730	0.6
72.99300	1.9
73.02952	14.1
74.02441	0.3
75.00883	1.9
83.01389	4.7
85.02958	11.5
87.00878	2.3
88.98804	0.6
89.02450	34.5
95.01395	2.5
97.02952	1.6
97.06579	1.1
98.20707	0.8
99.00887	10.2
99.04524	0.5
99.10605	0.4
101.02450	28.1
102.02773	0.4
111.00893	0.7
113.02457	14.0
114.02745	0.4
115.04018	1.2
119.02685	0.4
119.03517	8.0
125.02469	3.0
129.01959	0.4
131.03514	4.8
143.03494	2.2
149.04564	11.4
150.03215	0.3
151.03992	0.5
152.01085	0.4
153.09218	0.6
157.08778	0.5
159.03004	2.1
161.04579	6.7
175.07529	0.4
179.05582	1.9
185.11818	0.4
189.05579	0.7
190.06374	0.9
191.05598	2.3
193.05002	0.6
205.08690	0.8
209.15430	0.5
214.53003	0.3
215.13049	0.4
233.06708	1.0
243.16086	0.9
250.75993	0.4
251.07698	1.2
255.02942	0.8
259.15332	0.4
283.02451	0.7
284.03265	3.4
293.08896	0.9
299.05643	6.7
311.05817	0.6
317.10416	0.4
341.13974	2.1
359.28082	0.6
371.24268	0.5
377.28412	0.5
389.21735	15.6
389.25671	7.4
390.22052	1.0
400.09546	0.5
433.21460	1.7
461.10886	1.2
521.26019	100.0
521.32416	3.8
522.26294	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	521.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
57.03452	3.1
58.00596	1.6
59.01385	49.1
69.03456	1.2
69.47589	3.4
71.01388	43.1
71.05017	0.9
72.99321	2.3
73.02953	18.9
75.00858	1.1
76.35488	0.5
81.03471	0.6
83.01392	4.3
85.02956	14.0
85.06595	0.6
87.00873	2.8
87.04513	0.7
88.98817	0.5
89.02452	36.6
93.03463	0.6
95.01376	3.4
97.02955	1.6
97.06596	1.4
99.00890	11.2
99.04519	1.0
101.02451	33.4
109.02956	1.3
111.00883	1.5
113.02458	16.3
115.03997	1.4
119.03513	8.7
121.02916	0.5
125.02495	3.3
129.01997	0.5
131.03516	4.4
143.03517	2.2
149.04558	9.7
150.03180	0.7
151.04065	0.6
157.08670	0.8
159.03003	1.8
160.05388	0.8
161.04565	7.4
167.10756	0.5
171.10294	0.6
178.09911	0.5
179.05646	1.4
187.13304	0.5
189.05635	0.8
190.06351	0.9
191.05699	2.8
205.08736	0.8
209.15428	1.0
215.12970	1.0
233.06647	1.4
243.16000	1.4
251.07677	1.0
255.03067	1.7
283.02509	1.6
284.03284	6.9
285.03558	0.5
293.08795	1.6
296.10690	0.6
298.04688	0.6
299.05634	11.3
300.05902	0.9
301.20071	0.6
302.02747	0.7
311.13007	0.5
341.13885	2.0
371.24216	1.2
373.26022	0.8
377.29129	0.8
389.21704	16.6
389.25601	14.4
390.21762	1.0
390.26349	0.9
433.20621	1.3
461.10916	1.8
521.26019	100.0
521.32458	4.6
522.19043	0.6
522.26501	10.1
522.34027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
59.01387	100.0
61.98826	9.2
68.18881	1.7
69.03474	2.5
71.01391	44.6
72.99270	2.1
73.02943	7.8
75.00845	2.3
83.01387	5.1
85.02964	13.5
87.00878	2.5
89.02451	57.2
96.96023	13.6
97.02960	5.5
99.00888	12.1
99.05367	2.1
101.02451	26.3
111.81748	2.2
113.02454	11.0
115.04002	3.2
125.02456	17.7
131.03511	10.0
139.03969	2.1
143.03537	2.4
149.04567	27.5
161.04482	2.2
167.10838	10.0
173.77403	1.7
191.05536	3.9
202.49010	1.9
209.11852	2.8
233.06610	8.0
253.75786	1.8
293.08838	21.0
317.26926	2.7
341.26889	2.5
359.27997	7.8
373.25717	3.1
419.55423	2.3
461.31128	22.5
479.32162	10.0
521.33392	51.0
522.33258	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	521.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
55.25196	1.9
57.03459	3.9
58.00584	3.0
59.01385	100.0
61.98832	5.8
69.03470	2.7
71.01014	3.2
71.01389	57.7
71.01785	3.1
72.99315	4.1
73.02952	15.0
75.00869	8.3
76.34922	1.6
80.33810	2.0
83.01398	3.7
85.02965	12.4
87.00880	8.3
89.02453	84.8
93.76525	1.9
95.01398	4.7
96.96000	2.3
99.00892	19.6
99.04530	3.5
101.02451	42.9
107.01391	2.1
108.02196	2.5
109.02945	3.0
111.00886	6.7
113.02464	17.2
119.03502	11.5
121.02894	2.2
122.06125	3.5
123.00895	3.9
123.04550	3.0
124.01679	3.9
125.02473	5.3
125.06114	1.9
125.09654	2.2
131.03513	16.3
132.04570	3.2
134.03754	8.2
135.02995	7.7
137.02469	2.3
143.03493	3.1
149.02568	4.2
149.04570	48.4
150.03183	5.3
151.00359	3.7
152.01260	1.9
152.07231	2.2
161.04572	6.5
165.05591	9.1
175.02539	3.6
178.02766	3.5
179.05606	3.4
179.10805	13.8
191.04028	1.9
191.05608	13.7
193.05057	13.2
195.05005	2.0
195.06645	5.8
221.06633	2.6
223.09795	22.8
251.07681	2.4
253.13501	2.0
272.06903	4.1
287.09204	5.6
289.07098	8.1
293.08755	4.5
297.12503	6.4
313.07257	4.1
317.10352	7.4
323.10056	3.0
325.11966	2.7
341.10623	4.3
355.13028	10.9
359.07501	2.4
373.14050	3.4
389.17932	3.9
389.22156	3.3
399.11951	14.1
401.13644	2.3
403.16101	9.4
409.76709	2.1
429.12881	2.9
431.14954	9.0
461.23648	2.4
521.18707	23.2
521.25916	38.7
522.18817	2.3
537.73273	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	521.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77445	0.3
56.22249	0.4
57.03448	0.6
57.23514	0.5
59.01117	0.4
59.01386	7.3
61.98817	0.7
65.96273	0.3
69.23750	2.5
69.24157	1.0
70.72207	0.4
71.01391	4.9
73.02955	2.0
75.00868	0.7
83.01364	0.7
85.02967	1.9
87.00885	0.7
88.98810	0.5
89.02457	3.4
95.01424	0.6
96.96015	1.3
99.00885	1.0
99.04495	0.5
101.02464	2.9
108.02197	0.8
109.02966	15.0
113.02456	2.0
119.03522	0.7
123.00922	0.8
123.04501	0.6
124.01648	0.4
125.02487	1.8
131.03482	0.5
135.02988	1.4
137.02448	2.3
140.99821	0.5
141.41098	0.4
143.05122	0.4
149.02415	0.6
149.04568	1.5
151.00439	0.4
152.01250	0.4
158.03766	0.7
158.99590	0.4
159.04520	6.4
161.04620	0.7
161.06035	0.6
165.05573	0.7
171.04504	0.4
172.05283	0.5
173.06078	5.3
175.02434	0.4
179.10826	0.5
187.07658	0.5
189.05592	5.0
190.06441	0.6
191.03488	0.6
191.07159	2.7
193.05046	0.7
201.05467	0.4
203.07159	2.6
209.11829	1.0
212.04671	0.5
213.05554	1.2
223.09793	0.7
224.04980	0.5
225.05557	0.7
240.04349	2.6
241.05086	10.3
242.05362	0.5
243.06509	0.4
251.07039	0.5
255.06635	7.2
256.06955	0.6
265.08823	0.5
267.06586	1.0
269.08218	1.3
281.08139	1.1
283.09650	0.7
284.03326	0.5
285.03946	0.5
289.07254	0.8
295.09583	1.1
296.10428	0.4
298.08496	0.9
299.05942	0.6
299.09216	7.9
300.09644	0.7
313.10834	10.8
313.78375	0.4
314.11224	1.0
317.06711	4.8
318.06793	0.6
327.12323	1.0
329.10339	5.2
343.11917	2.9
344.12646	35.2
345.13031	2.5
359.15021	100.0
360.15378	7.1
360.19604	0.7
389.18100	4.4
521.19214	2.5
521.27081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.6
69.03471	0.6
69.27141	3.5
71.01012	0.6
71.01382	5.4
73.02950	1.5
75.00886	0.6
80.67900	0.4
83.01380	0.5
85.02969	2.0
87.00861	0.4
89.02453	2.8
91.07491	0.4
93.03413	0.7
95.01395	0.4
99.00879	1.2
101.02443	3.9
108.02123	0.6
113.02447	2.1
121.02953	3.7
122.03770	1.2
123.04516	1.1
124.01682	0.7
134.03746	1.0
136.01741	0.4
136.05287	1.2
137.02464	0.5
143.05048	0.8
147.04512	2.3
149.02461	2.1
149.04562	1.4
149.06085	0.5
150.03239	5.7
158.03728	3.2
159.04529	8.1
160.05315	27.9
161.04541	1.3
161.06061	7.0
163.04024	4.6
164.04803	5.4
165.05527	0.7
173.06061	3.5
174.06842	1.0
175.07649	24.0
176.08000	0.9
177.05580	6.6
178.06354	8.5
179.03687	0.5
191.07126	0.5
192.08008	2.0
193.05049	1.6
193.08714	2.8
195.06645	0.9
241.19299	0.5
269.12866	0.5
295.11060	0.7
313.11993	0.9
314.11469	0.6
329.13956	100.0
330.14285	7.4
341.10086	0.5
344.30896	0.4
359.15005	3.3
389.21729	1.2
461.92554	0.5
489.15576	1.1
521.19250	0.7
521.26080	7.0
522.26648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01103	0.9
59.01384	10.6
71.01388	10.1
73.02963	3.7
75.00877	1.8
83.01379	1.9
85.02958	4.2
87.00877	0.8
88.32671	0.7
88.98812	2.2
89.02456	5.3
95.01392	0.7
99.00893	1.9
101.02464	5.6
113.02461	4.4
119.03535	1.2
121.02964	4.9
122.03763	2.0
123.00890	0.9
125.02443	1.3
126.42014	0.5
129.01932	0.5
134.03772	2.7
135.02980	3.0
135.04550	0.8
135.11830	0.6
136.01616	0.6
136.05284	0.9
137.02466	1.1
137.06107	0.7
143.03510	0.9
143.04985	0.7
144.86292	0.6
146.03703	0.7
147.04521	2.3
149.02417	1.7
149.04544	1.6
150.03242	6.4
151.03984	1.5
153.05487	0.8
158.03716	1.9
159.03148	1.1
159.04506	7.8
160.05305	27.7
161.04550	2.6
161.06059	7.7
163.04012	4.5
164.04813	5.3
165.05540	2.0
173.06064	3.5
175.07655	24.4
176.04767	1.2
176.07990	0.8
177.05528	6.5
178.02686	0.8
178.06345	8.6
179.05461	0.6
179.10788	4.1
192.07924	2.2
193.05017	3.5
193.08684	2.6
223.09724	6.1
227.16557	0.8
229.87862	0.9
291.84735	0.7
293.81085	0.6
329.13956	100.0
330.14340	6.6
341.12720	1.0
359.14981	3.5
389.12463	1.5
389.21637	1.5
389.25793	3.2
403.16061	2.9
521.11761	1.4
521.18762	6.9
521.26135	11.6
521.33179	3.0
522.19025	0.7
522.26300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53487	0.9
56.55661	0.9
57.03447	3.2
58.00602	2.4
59.01388	63.9
60.01704	1.3
69.03459	1.8
69.39481	7.6
71.01392	33.2
72.99303	4.6
73.02954	6.2
75.00883	22.8
82.06555	0.9
83.01434	2.7
85.02962	7.6
86.57719	1.0
87.00907	2.6
89.02457	40.4
95.01424	4.1
99.00880	4.3
99.04542	2.7
101.02451	20.0
109.03011	1.6
113.02460	12.7
113.06161	0.9
115.00430	1.5
119.03524	12.2
122.03809	1.1
123.00867	1.0
124.01694	2.7
124.05342	1.6
125.02467	12.0
131.03537	1.6
134.03833	2.3
135.03017	65.3
135.11852	3.5
137.02419	1.3
143.03537	2.0
145.52069	0.9
147.03291	1.8
149.02580	1.1
149.04591	7.8
149.06012	1.4
150.03220	2.2
151.00443	6.6
152.01166	4.0
153.01973	2.1
161.04611	3.6
161.09746	1.9
165.05627	2.9
175.02480	2.1
178.02762	1.0
178.99942	4.6
179.05678	6.6
179.10802	31.2
180.11131	1.5
183.23715	1.0
191.05638	1.9
193.05075	6.7
195.06644	1.9
197.11858	1.4
223.09787	29.5
224.10214	2.1
227.79958	1.0
230.05965	1.9
241.11115	0.9
243.07880	1.6
245.08215	1.9
271.11130	0.9
273.07669	1.6
274.04947	2.3
289.07227	21.5
289.10324	1.7
290.07785	1.4
297.12527	1.3
313.07187	5.7
317.06714	10.7
331.08209	1.7
341.12436	3.6
355.13187	1.8
359.08966	5.3
359.13034	1.2
389.21967	3.2
399.11972	4.7
403.16165	12.2
431.14853	2.9
461.24924	1.5
493.13531	5.3
521.18939	100.0
521.26306	21.6
522.19257	7.1
522.25897	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	521.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53325	1.4
55.83105	1.5
59.01379	2.2
61.98820	2.2
65.80753	1.5
68.99578	100.0
69.42516	6.7
69.42946	5.6
71.01404	1.4
71.64931	1.3
78.95924	7.1
79.05533	1.4
94.96223	1.5
96.96048	2.6
105.03489	2.4
107.88586	1.3
108.02151	2.4
112.98578	90.2
123.41910	2.0
135.04541	2.2
136.05273	4.0
149.05933	1.5
152.99606	13.7
161.02406	1.9
175.64577	1.6
183.08194	3.2
193.90540	1.6
212.08516	1.9
225.09232	19.1
226.09807	3.8
227.10750	16.6
237.09230	1.8
241.12436	3.6
251.10783	2.4
253.08705	6.0
293.08069	3.8
316.84915	1.5
347.20148	2.2
371.22113	3.7
385.23807	5.7
387.19363	7.3
391.19122	2.4
409.20224	29.5
410.20352	3.3
413.17154	2.1
431.18427	15.1
433.25626	2.0
434.24176	2.2
439.21127	1.8
442.01935	1.9
521.26459	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	521.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03445	1.2
58.00607	0.3
59.01385	100.0
60.01717	0.5
61.98841	0.9
68.34247	0.3
68.99842	0.3
69.03468	0.6
69.94725	0.2
71.01389	11.3
72.99313	0.6
73.02952	4.2
75.00900	1.2
80.05070	0.4
81.03496	0.3
83.01398	2.6
83.01841	0.3
83.05048	1.1
85.02962	6.5
86.00129	0.4
87.00888	1.1
87.04569	0.3
89.02460	2.2
92.95590	0.3
95.01398	1.5
96.89577	0.2
96.96052	0.8
97.02959	0.5
97.06661	0.3
98.19878	0.6
99.00853	1.4
99.04524	0.3
101.02444	7.6
101.03103	0.4
104.05095	0.2
108.04564	0.3
109.02970	0.3
111.00880	1.2
112.01723	0.4
113.02465	6.5
113.03260	0.4
119.03509	0.6
119.05125	0.3
121.05296	0.2
124.01679	0.4
125.02479	1.1
129.02013	0.4
132.02214	0.9
134.03777	2.3
134.06142	0.5
135.03093	0.3
136.01608	0.4
136.07684	3.4
137.02531	0.3
137.08057	1.3
143.03516	1.3
146.06139	0.3
149.04565	1.1
149.06148	0.3
151.04092	0.6
152.07254	0.3
159.03050	1.0
160.01674	3.7
161.02232	0.3
161.04585	3.9
167.75801	0.3
175.04013	4.8
176.04427	0.3
180.06660	0.5
183.08188	0.8
185.15535	0.4
188.07269	0.9
189.07518	0.6
193.05072	2.2
197.06146	0.5
198.03133	0.4
211.17128	0.3
213.05518	1.5
213.18620	1.3
226.10976	0.3
227.07199	0.5
230.90144	0.3
241.05199	0.9
252.08875	0.3
253.09668	0.3
254.02237	0.6
254.10249	0.3
269.04562	8.8
271.23065	0.3
281.05621	0.3
284.06909	14.9
285.07364	1.3
294.09833	0.3
295.11066	0.9
296.11221	1.3
299.09250	17.1
300.09689	1.3
308.11359	0.7
315.22388	0.3
315.25339	1.3
317.27008	4.3
341.26959	0.4
359.27997	1.6
373.26175	0.4
375.24084	0.5
387.27130	0.3
389.25983	0.4
444.19531	0.7
445.19638	5.6
461.31226	30.6
462.31573	2.0
478.24335	1.1
479.32281	12.4
480.32651	0.8
489.18594	5.1
491.23026	0.8
499.24796	1.1
499.74863	0.6
500.23541	2.1
500.74280	0.5
520.32526	0.6
521.24182	5.8
521.33459	8.6
521.74152	2.8
522.33783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
57.03452	2.4
59.01384	100.0
60.01710	0.8
61.98832	2.8
69.03465	0.9
71.00338	1.2
71.01392	12.0
72.99287	0.7
73.02960	4.1
74.68357	0.5
75.00886	1.4
83.01400	2.2
85.02965	6.9
87.00869	1.4
89.02454	5.1
93.07098	0.7
95.01374	1.3
97.02969	0.6
99.00919	2.1
99.43729	0.6
101.02452	8.7
103.93445	0.5
109.02985	0.8
111.00887	0.7
113.02473	6.1
114.13811	0.6
117.48997	0.5
119.03514	0.6
121.02967	3.9
125.02490	1.3
129.01958	0.6
131.03543	1.1
133.02925	1.2
149.02440	1.1
149.04599	1.6
159.02982	0.6
161.04607	2.6
164.04855	1.6
171.13921	1.0
179.07147	1.2
185.06110	0.5
197.06140	0.8
198.03365	0.7
199.04022	1.4
211.04050	1.8
213.05569	2.2
223.04169	0.8
226.02873	0.7
227.03531	2.5
233.06693	0.8
238.02744	1.0
239.03499	0.9
240.04311	1.4
241.05118	1.9
251.03471	1.1
253.05019	0.6
254.02226	1.0
255.03032	6.4
256.03757	0.9
268.03973	1.0
269.04550	13.3
269.07242	1.0
282.01492	0.7
283.02524	13.7
284.03342	4.2
284.06879	27.2
285.04114	3.2
285.07343	1.8
293.08859	1.1
296.03455	1.0
297.04056	7.1
298.04828	22.2
299.05533	3.1
299.09216	29.1
300.09595	2.3
317.27145	1.0
333.19327	2.3
347.00720	0.6
359.27963	3.7
368.89236	0.7
373.22174	1.1
461.31308	7.2
470.23489	2.3
470.73697	2.2
477.11746	4.3
479.32303	2.1
521.33356	30.4
522.33777	1.5
525.04657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34345	0.4
57.03441	0.5
59.01386	6.2
61.98827	0.6
69.41252	2.5
71.01388	2.9
73.02962	0.5
77.13853	0.3
83.01355	0.4
85.02937	1.7
85.67880	0.3
89.02459	0.5
95.01379	0.7
97.02959	0.4
97.97224	0.4
99.00915	0.6
101.02446	1.9
103.36199	0.4
109.02945	2.9
113.02451	1.3
121.02921	0.6
123.00906	2.5
124.00774	0.4
124.01670	6.4
125.02443	1.2
135.04523	0.6
136.01672	16.8
137.02460	8.4
138.03218	1.1
139.04015	3.9
147.20712	0.4
149.02437	7.8
150.03236	46.2
151.04024	5.5
161.02457	1.2
161.04532	0.4
162.03217	0.9
163.03964	0.8
164.04860	0.8
165.05583	35.0
166.05907	1.0
175.03926	0.4
177.05548	1.0
190.06520	0.4
212.99716	0.4
213.09219	4.2
216.07895	0.5
241.05037	1.0
243.06694	0.8
259.06213	0.5
269.04465	2.7
270.05304	1.6
271.06046	0.6
271.22900	0.4
272.03293	0.9
284.06381	0.5
285.04291	0.5
285.07663	1.0
286.04907	0.6
287.05624	12.2
298.04724	0.6
299.05499	0.5
301.07037	0.4
302.07980	21.7
303.08295	1.4
317.10306	100.0
318.10626	6.1
331.85730	0.4
337.06940	0.4
359.28085	1.2
373.25980	1.1
461.14523	3.2
461.31128	0.6
479.16068	0.7
479.31940	0.6
521.16534	6.4
521.33838	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	521.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03460	0.8
59.01384	17.4
60.01704	0.5
61.98846	0.4
69.18140	3.3
69.62896	0.4
71.01392	5.7
71.17661	0.3
72.99324	0.5
73.02944	2.8
77.76828	0.4
80.60217	0.4
83.01392	1.6
85.02950	3.6
87.00889	0.5
89.02448	1.7
93.07117	0.4
95.01410	1.1
99.00928	0.6
101.02454	4.7
104.17768	0.3
109.02958	1.9
109.06532	0.4
111.00900	0.8
113.02459	2.6
119.03479	0.4
119.68645	0.3
121.03017	0.8
122.03668	0.3
123.00887	2.3
124.01678	6.6
125.02447	1.5
128.64474	0.4
136.01677	15.8
137.02472	5.1
138.03206	0.8
139.04018	4.9
140.04355	0.4
149.02448	4.4
150.03236	64.4
151.04034	6.6
159.02989	0.5
161.02399	0.6
161.04602	0.8
162.03238	1.4
163.04022	0.7
165.05580	44.0
166.05913	1.3
174.83122	0.4
177.05595	1.3
183.13963	0.6
195.13287	0.4
227.12927	0.7
229.18173	0.6
241.05019	0.9
241.08664	0.4
259.06094	0.6
269.04507	2.3
270.05411	1.3
271.06146	0.9
272.03348	0.4
273.07718	0.5
284.06784	0.7
285.07599	1.0
286.04892	0.7
287.05646	7.5
287.08752	0.3
302.07980	15.3
303.08374	0.9
315.19708	0.5
317.10309	100.0
318.10626	7.0
347.20956	0.4
359.28040	1.5
373.26096	0.6
391.23413	3.2
461.14731	0.4
461.31308	3.4
479.32208	0.7
521.16681	6.4
521.25342	0.7
521.33392	14.7
522.17389	0.4
522.33954	0.8
541.00110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01383	100.0
60.01719	1.0
61.98838	2.3
67.01893	1.1
69.03474	0.6
71.01385	7.0
73.02972	2.1
75.00883	3.7
81.03479	2.2
83.01407	1.5
85.02959	2.6
87.00909	1.2
87.50471	0.5
89.02448	3.1
95.01408	1.3
97.02960	0.6
99.00923	0.8
101.02460	5.2
107.01399	5.7
108.02193	1.9
113.02454	2.9
116.41534	0.5
119.03532	0.7
119.05017	0.6
119.31243	0.5
123.00919	2.0
123.04593	0.5
124.01669	1.1
125.02464	1.0
135.03000	12.1
135.78055	0.6
136.01683	1.3
151.00374	5.8
161.04610	1.1
186.79520	0.5
193.05096	0.6
198.03069	0.6
209.08215	0.8
226.02814	0.6
227.03539	0.5
241.05153	2.2
242.05872	19.5
243.06282	1.2
255.03072	0.6
257.08206	44.1
258.08624	2.1
297.04208	1.5
298.04657	2.5
301.18198	1.3
312.06323	4.5
313.07318	1.6
315.19601	2.7
317.11880	0.7
317.21310	4.0
317.27158	0.9
341.26950	1.0
359.12930	1.4
359.28088	5.2
373.26166	0.5
448.49384	0.6
459.08304	0.6
461.25409	1.0
461.31351	3.2
479.26559	1.8
479.32446	1.3
520.31952	0.7
521.14734	0.8
521.33508	28.3
522.33844	1.4
543.68170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37120	1.2
57.03446	1.5
59.01391	15.9
61.98825	2.3
62.01200	1.4
62.09196	1.2
71.01379	5.3
71.54082	1.3
71.54570	1.9
83.05026	2.5
83.12969	1.2
85.02937	3.2
87.00881	1.3
87.04527	1.6
89.02467	1.7
93.03468	3.5
95.01408	1.5
96.96027	2.2
99.00887	1.9
101.02431	1.5
108.02139	4.2
113.02464	2.8
123.04560	2.5
124.01680	2.2
125.02455	1.4
129.01962	2.3
137.02446	10.0
138.03189	1.4
149.02330	1.4
179.13811	1.5
217.05028	1.6
237.07796	1.4
239.03574	1.5
241.05106	1.5
251.03465	2.1
253.05008	2.5
255.03087	2.4
264.04144	1.7
267.06412	1.6
269.04556	2.2
270.72208	1.2
279.03107	3.1
280.03821	8.8
281.04352	1.7
282.05365	3.5
283.02539	2.3
283.05893	1.8
293.04468	3.3
294.05267	1.9
295.06128	2.5
295.99695	3.8
297.07620	3.5
308.03430	1.9
311.01990	5.7
311.05649	4.5
312.06378	1.5
313.03619	3.4
313.07083	2.8
323.05569	4.6
327.05432	2.1
335.05716	2.0
338.04529	9.7
339.05164	5.8
340.05881	2.1
341.03204	4.2
342.03763	1.5
351.05145	5.8
352.06012	2.2
353.06815	7.0
354.07437	5.3
355.08292	3.4
356.05511	2.8
357.06491	1.6
361.07388	1.4
366.07166	2.6
367.04404	2.2
367.08279	3.7
368.09155	2.6
371.07916	6.9
372.08521	2.5
381.06415	1.8
397.09384	6.6
399.05154	2.1
413.06494	1.8
414.07767	2.7
415.08636	2.0
431.07709	3.7
432.08627	1.8
441.06448	2.2
444.04883	2.8
445.13458	1.7
459.07254	5.0
459.67896	1.3
474.09738	3.5
489.12057	10.4
504.75449	1.7
506.12119	4.9
521.14575	100.0
522.14789	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63456	0.6
59.01410	1.8
67.49671	0.6
70.09315	1.0
70.09671	2.5
85.03048	0.7
98.20625	0.9
111.02243	0.6
141.07210	0.7
155.05099	1.1
156.05824	0.8
157.06618	6.5
161.02472	1.2
161.99690	1.6
164.01266	2.1
167.05231	0.7
170.03825	2.7
171.04587	0.9
173.06091	9.8
176.04889	1.2
179.03618	2.8
182.03828	1.1
183.04527	3.1
184.05411	1.4
185.06067	6.2
194.05927	2.9
198.03246	7.1
199.04054	3.2
199.59843	0.7
201.02002	0.8
201.05479	0.7
203.07170	7.0
209.08228	14.9
209.10100	1.1
210.03252	1.5
210.08847	0.6
211.04031	5.7
213.05608	5.3
225.05624	0.9
226.02766	9.1
226.06410	0.7
227.03520	11.4
231.06746	1.1
238.02751	2.4
239.03488	3.1
241.05086	53.9
242.05505	1.8
246.80646	0.8
253.05031	1.0
254.02261	2.1
255.02966	6.0
266.02191	1.6
267.03018	0.8
268.03873	0.9
269.04544	2.6
282.01791	1.1
283.02521	12.8
283.05676	1.3
284.03198	1.7
296.03613	0.7
297.04074	34.3
298.04849	47.6
299.05405	4.6
311.05545	1.9
312.06430	100.0
313.07156	42.3
314.07785	1.0
327.08823	1.4
330.07520	1.6
345.10043	1.1
372.08377	1.1
521.06976	1.4
521.14441	22.2
522.15051	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	521.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.7
63.66502	0.5
69.03434	0.4
69.96110	2.0
71.01403	0.8
73.02963	0.6
85.02940	0.7
93.03494	0.5
96.96050	0.8
101.02472	0.5
117.03483	0.6
151.04036	0.7
155.05040	1.4
156.05815	0.8
157.06590	5.4
161.02458	1.7
161.99603	1.3
164.01198	2.0
170.03807	2.4
171.04465	0.5
173.06102	9.9
174.06290	0.5
175.07640	0.7
176.04816	2.0
179.03484	2.9
182.03758	1.6
183.04535	2.3
184.05330	1.5
185.06064	5.6
191.07104	0.8
194.05862	3.1
198.03220	7.9
199.03999	2.5
201.01984	0.8
203.07150	8.5
209.06207	1.0
209.08211	16.5
210.03185	1.2
211.04024	5.0
213.05554	5.2
226.02740	8.9
227.03500	9.9
231.06604	0.9
238.02727	1.6
239.03452	3.0
240.04091	0.6
241.05086	49.6
242.05469	2.8
253.05009	1.0
254.02209	2.9
255.02979	5.8
257.04523	0.8
266.02274	1.8
268.03845	0.7
269.04636	2.9
282.01840	0.6
283.02530	14.5
284.03174	1.8
295.05804	0.5
296.03305	0.5
297.00574	0.9
297.04077	32.7
298.04834	48.0
299.05484	5.5
301.33911	0.6
311.05688	2.4
312.06424	100.0
313.07153	40.6
314.07547	2.2
327.08633	0.9
330.07492	1.0
345.09903	1.0
372.08441	1.3
437.93274	0.5
462.13202	1.5
470.25266	0.5
521.14526	24.3
521.76709	0.6
522.14917	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	521.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61057	1.3
57.03445	2.0
59.01384	13.9
60.99311	16.9
69.94657	6.8
71.01396	5.0
73.02948	2.4
83.01385	2.2
85.02975	5.3
88.98815	100.0
89.02458	3.0
101.02465	4.3
109.02974	1.7
113.02473	3.8
117.03461	3.8
121.03006	2.5
125.02477	2.6
134.03773	9.3
137.02437	2.0
149.02440	7.9
149.04503	1.5
150.03230	13.9
161.02435	2.0
162.62849	1.6
163.04028	3.1
165.05550	16.1
167.03496	3.5
178.02704	6.8
193.05063	30.9
195.06635	10.3
202.85371	1.3
203.87711	1.3
234.25346	1.7
234.27516	1.7
273.07684	2.3
281.04376	2.2
282.08984	1.9
283.06107	22.1
311.05612	35.4
312.05978	2.3
323.05637	2.0
341.06668	3.0
341.10410	10.5
389.12381	3.8
389.25574	2.0
431.09805	42.9
431.14261	1.8
432.09970	3.0
521.26355	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	521.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99060	0.8
55.01868	3.0
57.03468	5.7
57.44622	0.7
58.00581	1.5
59.01385	61.8
69.03407	1.6
69.34546	4.4
69.34948	1.8
71.01387	46.7
71.05019	1.8
72.99295	2.6
73.02955	24.6
75.00867	2.8
77.06393	0.9
81.03423	1.3
83.01402	5.3
83.50846	0.9
85.02954	17.4
85.06592	1.3
87.00895	4.3
87.04538	1.3
89.02452	33.7
95.01394	4.9
96.96005	1.8
97.02952	1.4
97.06612	4.1
99.00891	8.9
99.04519	2.1
101.02448	35.1
101.06120	0.8
105.01698	0.9
108.02225	0.9
109.02990	1.8
111.00900	1.1
111.08172	1.1
113.02467	18.9
115.04006	2.1
119.03505	8.8
121.02978	2.1
121.04964	1.1
123.08151	1.0
125.02409	3.4
125.09683	1.4
129.01947	1.5
131.03487	4.2
134.03706	1.6
135.03035	0.8
137.09692	1.2
143.03474	2.0
149.04552	9.4
150.03186	1.1
151.00375	1.4
152.07205	0.9
153.09242	1.3
157.08690	2.4
159.02942	2.4
159.04286	0.9
160.05261	1.1
161.02463	0.9
161.04568	8.2
165.05486	1.3
167.10779	1.5
171.10251	1.5
179.05618	1.3
186.16403	0.9
189.05583	1.3
191.05618	3.1
193.05019	2.7
197.11974	1.0
207.60950	0.9
211.13124	0.9
214.73340	1.0
215.12914	1.9
225.11328	1.0
227.03488	1.5
233.06627	2.5
239.03537	1.8
243.15962	3.1
255.02966	9.9
256.03680	2.6
268.03708	1.3
269.04547	2.3
283.02490	11.8
284.03290	55.3
285.03479	2.9
296.10461	1.0
297.04065	4.6
298.04837	4.2
298.08066	0.8
299.05630	100.0
300.05920	5.3
301.20352	1.7
303.17761	1.4
317.10205	1.5
341.06659	1.1
341.13919	2.2
347.17078	1.4
359.28027	1.5
371.24295	2.6
373.25882	2.2
377.29074	2.0
389.17587	2.9
389.21631	10.0
389.25430	47.4
390.21548	1.4
390.25958	2.7
446.08585	2.5
461.10938	24.7
462.10779	1.4
521.25916	88.8
521.32727	9.9
522.26202	5.9
522.33185	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	520.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.98810	0.3
68.07787	0.3
70.14085	0.3
71.55604	0.5
78.95911	44.5
85.04597	0.3
96.96033	0.4
96.96977	6.7
102.71681	0.3
104.74195	0.3
135.04491	0.4
150.98033	2.0
152.99599	100.0
153.99963	0.8
171.00673	3.4
225.09259	0.9
226.09892	0.3
227.10811	0.9
266.47678	0.3
279.23361	1.1
371.22256	0.7
385.23788	0.4
409.20081	1.9
431.18518	0.8
433.23618	23.4
434.23959	1.7
508.66922	0.3
520.27020	4.3
521.27014	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	520.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84728	0.6
57.03453	1.0
59.01383	17.6
61.98819	3.3
71.01396	3.1
71.55397	0.9
72.16155	0.6
73.02961	1.5
75.00857	0.7
75.66199	0.6
79.03810	0.6
80.05067	10.5
83.01381	0.8
83.05039	1.6
85.02974	2.0
89.02444	1.0
96.96032	1.0
99.00904	0.9
101.02460	1.9
104.05068	4.4
106.06626	4.2
108.04554	3.7
108.08199	6.3
113.02463	1.3
117.03445	0.9
121.05360	3.5
130.06622	1.6
132.04576	1.5
134.06133	9.4
135.03416	0.7
136.07692	79.1
137.08061	2.1
141.01616	0.8
145.02953	1.9
146.06129	4.0
148.04051	2.7
150.09273	1.5
152.03525	1.1
152.07202	3.2
153.04311	1.3
158.06221	0.6
160.04088	2.3
160.07698	1.0
162.05568	1.1
162.83972	0.7
173.04791	2.3
174.05643	3.1
176.49889	0.6
180.06644	8.2
181.91676	0.6
186.05594	1.9
188.07173	24.9
189.07513	1.1
210.07957	1.7
211.08791	6.1
217.94290	0.7
223.08813	1.4
224.09499	1.5
225.10342	6.9
226.11118	3.4
227.11876	5.7
229.13461	5.4
235.08870	1.1
236.09348	1.0
237.10245	1.5
238.07381	2.2
238.11061	0.7
239.08333	0.9
239.11848	1.7
248.09586	1.5
249.10396	2.0
251.08243	3.7
251.11821	3.6
252.09019	2.5
253.09830	12.4
254.10277	0.6
259.13611	0.6
263.08255	1.2
264.08984	1.9
265.09869	3.6
266.10547	1.5
267.11353	5.7
277.09827	4.0
278.10562	1.1
279.07791	4.0
279.11389	7.4
280.08554	1.3
292.08566	1.2
293.09439	3.5
294.10074	3.9
295.07495	1.6
295.10880	31.5
295.99728	2.0
296.11316	1.8
297.12424	1.9
298.18903	0.7
301.71027	0.7
307.07458	1.1
307.10922	20.5
308.11209	1.6
309.12283	1.4
311.01959	2.2
312.02933	1.1
317.21213	1.5
321.08716	1.0
344.13934	0.6
374.18817	1.2
376.20352	2.1
402.18265	2.0
416.19989	4.1
420.19449	1.4
426.17874	1.1
442.17926	1.4
444.19284	100.0
445.19681	8.2
447.18115	0.8
460.18814	1.5
470.17078	1.6
488.18292	85.4
489.18689	7.4
504.25113	0.7
520.20697	8.8
520.32513	3.0
521.10089	0.7
521.31946	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2967
Annotation	Soraphen beta
Peak:m/z	Relative Intensity
57.03435	1.1
58.00607	2.3
59.01384	12.0
61.98825	1.8
69.03469	2.6
69.03767	0.4
71.01395	2.8
71.05022	0.4
71.55352	0.7
72.99340	1.0
73.02946	2.1
81.03477	0.8
83.01389	0.5
83.05004	0.4
85.02960	1.2
87.00908	0.6
89.02461	0.9
93.03459	0.5
95.81611	0.4
97.06545	0.6
101.02459	1.1
107.05048	3.1
109.06599	52.8
110.06946	1.2
113.02445	1.5
123.04511	0.5
125.02411	0.5
223.07506	0.4
273.08246	0.5
275.20264	0.6
296.03302	1.1
297.03958	0.8
305.21179	1.6
315.23203	4.2
317.24786	1.7
341.24927	1.0
343.22958	0.5
343.26437	9.7
344.26791	0.8
345.24347	14.6
345.28052	1.5
346.24393	0.9
357.26498	1.2
371.25525	0.8
373.27542	5.1
381.24445	0.9
399.25415	9.7
400.25699	0.9
417.26471	50.4
418.26874	4.6
459.29449	1.0
461.25482	13.0
462.26007	1.1
466.49783	0.6
475.30716	1.8
477.31052	0.6
519.29675	100.0
520.30035	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	520.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.5
61.98837	100.0
69.26692	4.3
69.27097	1.1
71.01387	4.2
73.02953	2.6
79.85664	0.5
80.57387	0.7
83.01432	1.0
85.02971	1.2
86.12424	0.5
89.02469	1.9
101.02448	3.3
113.02480	2.2
119.03551	0.8
125.02439	0.6
125.09751	0.7
149.04497	0.7
151.04060	0.9
161.04541	1.1
183.04581	0.7
200.04301	0.6
215.12952	1.4
217.00871	0.6
228.04021	0.9
243.03072	2.0
244.03345	2.3
255.03094	1.3
256.03345	1.8
258.67743	0.5
271.02643	2.5
272.02899	3.9
273.03525	0.6
284.03394	0.8
299.02008	5.0
299.05301	0.9
300.02451	8.1
301.03180	2.2
314.04529	2.1
315.04926	10.5
316.05472	10.1
371.20471	0.7
371.24686	1.0
373.25931	6.0
389.25412	4.1
520.11713	5.2
521.30664	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
57.03443	5.0
59.01385	100.0
60.63525	1.2
61.98835	11.3
68.99815	1.7
69.25428	8.0
69.25842	3.0
71.01389	22.6
71.04996	1.3
72.99316	3.7
73.02957	6.4
75.00874	12.0
83.01385	3.0
84.02174	1.4
85.02960	20.3
87.00880	6.6
87.04521	23.8
89.02473	6.9
95.01392	3.9
96.96045	2.5
99.00885	5.4
99.04515	1.7
101.02451	6.8
102.02851	1.1
103.00393	1.5
113.01723	2.1
113.02460	26.0
115.04005	1.1
117.01948	2.6
124.01692	11.6
125.02459	4.1
129.01959	2.9
131.73959	1.2
139.04012	4.7
149.04582	2.0
161.04584	2.2
175.02460	3.1
205.07181	1.7
231.05150	1.7
249.06158	15.1
267.07217	19.5
269.17587	3.5
299.05191	3.4
300.05731	2.9
313.07263	1.9
314.07562	2.6
315.05194	1.9
315.08600	9.8
371.24567	2.7
387.19843	12.8
387.24161	5.1
399.23895	9.8
399.28589	1.7
417.24863	3.4
501.23663	1.4
519.24451	99.1
519.31433	8.0
520.24689	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	519.2451
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01868	1.7
57.03447	6.4
57.34991	0.5
58.00585	1.9
59.01385	60.9
60.01685	0.6
60.26837	0.5
69.03463	2.5
69.95817	2.1
71.01389	55.9
71.05029	1.7
72.01765	0.5
72.99313	2.7
73.02560	1.0
73.02950	16.1
75.00886	3.4
81.03455	1.8
83.01398	4.3
83.05010	0.8
85.02454	1.0
85.02959	15.5
87.00881	4.8
87.59809	0.5
89.02452	44.3
93.03478	1.2
95.01413	3.9
95.05043	1.2
96.96028	1.0
97.02953	5.2
97.61890	0.5
99.00890	15.7
99.04525	2.3
101.02449	29.0
102.02795	0.8
107.01336	0.7
109.02959	1.8
109.06606	1.3
111.00906	1.5
111.04503	1.2
112.01659	0.7
113.02460	15.3
113.06084	0.8
115.00352	1.1
115.04018	3.8
119.03524	4.7
119.04903	0.6
123.04529	0.8
123.08232	1.1
125.02453	14.3
127.04031	1.0
129.01956	1.1
130.95006	0.5
131.03510	6.7
135.04553	0.6
136.05258	0.8
137.02460	1.0
137.06172	0.7
137.09718	2.0
138.06883	15.5
139.07681	0.6
143.03539	3.2
145.68466	0.6
148.01758	0.6
149.04573	11.6
153.09227	40.3
154.09590	1.2
159.02974	1.5
161.04561	10.6
163.00377	0.6
163.04015	1.3
163.11263	0.6
165.81700	0.6
175.02505	0.7
175.03998	1.0
179.05630	2.0
191.05663	5.0
207.13907	4.2
211.07645	1.1
225.14978	43.0
226.15308	2.3
233.06682	12.1
251.07497	0.9
253.08870	1.0
283.64456	0.5
293.08832	10.3
300.02621	0.7
305.53894	0.7
323.05539	0.9
327.04510	0.6
373.13474	0.6
387.15884	1.0
387.20303	12.2
388.20718	0.8
459.08847	0.7
519.24530	100.0
520.24860	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38449	0.7
55.01880	7.5
57.03191	1.1
57.03450	8.8
58.00593	2.7
59.01386	66.0
61.98849	0.7
62.93694	0.7
67.01883	0.9
69.03461	3.4
69.51046	4.9
71.01388	100.0
72.01709	1.4
72.99319	2.4
73.02953	37.0
75.00890	5.5
79.95419	0.8
81.03471	2.0
83.01394	10.6
83.05069	0.8
84.02184	1.0
85.02956	39.5
87.00876	5.8
87.04533	0.9
89.02457	30.3
93.03468	2.3
95.01391	7.0
97.02965	5.7
98.20628	1.6
99.00894	17.1
99.04530	1.3
101.02453	57.7
107.52637	0.9
109.02962	1.1
111.00890	2.0
113.02462	33.6
114.02750	0.9
115.04029	3.8
119.03525	1.4
119.65385	1.0
121.02966	0.9
125.02446	11.3
129.01990	2.2
129.42233	1.0
131.03529	4.1
135.00853	1.2
135.04478	1.6
143.03499	5.6
143.10782	1.0
145.02922	1.4
145.05092	2.1
146.03722	0.8
146.24873	0.8
147.04549	2.2
149.04543	2.5
159.03011	8.2
161.04573	55.3
162.04805	1.3
163.04037	2.9
163.06139	2.0
166.05101	1.9
175.04094	0.8
177.03983	1.2
178.06421	2.8
191.05667	2.5
193.08733	1.8
195.05078	2.6
201.14983	1.1
205.07190	20.0
207.13956	1.1
211.09802	1.2
225.14912	1.0
231.92303	0.8
233.06670	7.2
245.17574	1.3
251.07098	3.8
253.08711	2.3
293.08777	2.6
300.05893	0.9
315.05167	1.1
315.08887	1.2
323.05695	6.1
341.06656	1.2
362.88599	1.0
371.16879	0.9
387.16589	27.3
387.21222	1.4
388.17020	2.0
389.21719	2.7
415.23270	1.0
459.09296	1.1
519.12329	1.8
519.20996	48.9
519.31848	6.6
520.20416	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67955	0.8
55.01885	0.9
55.30850	0.7
55.87588	0.7
57.03451	1.5
58.00597	0.8
59.01386	53.1
59.04596	0.7
60.01734	0.9
61.98846	7.0
64.19476	0.7
65.61794	0.7
69.87356	3.5
71.01389	27.4
72.21973	0.8
72.99303	2.3
73.02959	10.5
73.10427	0.6
75.00870	1.8
75.12911	0.8
83.01385	2.0
85.02967	4.6
86.96960	0.7
87.00899	1.2
89.02455	34.9
89.72515	0.7
95.01436	0.9
96.96048	1.6
97.02911	0.8
99.00893	22.4
101.02454	15.0
111.00899	1.0
113.02467	5.5
116.92706	0.7
117.05565	0.8
119.03490	2.8
120.45815	0.7
125.02434	2.2
131.03511	4.7
134.03705	0.9
137.70715	0.9
143.03377	1.1
149.04559	11.5
161.04572	2.3
163.11261	3.0
165.05623	0.9
191.05609	6.9
193.04982	1.0
207.10294	3.3
225.07759	3.6
251.07350	0.9
305.03989	0.8
387.16708	2.0
407.35544	0.7
519.20837	100.0
520.21234	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	519.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34221	1.3
59.01377	7.3
64.65559	1.4
71.01385	8.7
71.30555	3.3
71.39350	1.4
72.99281	1.7
73.02962	5.7
78.48923	1.4
87.00881	2.1
89.02457	30.1
94.38104	1.6
103.04029	3.3
109.02958	5.2
123.04539	2.0
126.09261	1.6
128.08958	1.6
131.03548	7.8
135.04565	3.2
140.33876	1.4
149.04573	100.0
149.06085	74.3
150.04929	1.9
150.06485	3.3
153.31468	1.6
163.04013	3.2
165.05629	1.8
173.06023	1.7
175.03970	2.2
176.04796	3.1
191.07152	4.4
193.05054	5.5
198.20299	1.4
203.07069	1.9
204.12448	3.7
225.07564	2.1
237.04080	13.4
269.10403	2.1
295.08334	3.6
313.09286	13.4
339.07272	6.8
356.11954	1.7
357.08774	1.7
388.09082	1.5
399.09268	8.3
460.08408	3.1
471.63660	1.5
501.12302	2.5
516.18707	1.7
519.13654	27.3
520.14008	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	519.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96225	2.2
57.03478	2.9
59.01386	100.0
61.98837	10.2
69.03461	4.9
71.01389	80.8
71.54276	2.9
72.99321	4.0
73.02953	17.9
75.00873	3.1
81.03467	2.7
83.01386	3.3
85.02955	15.5
87.00871	5.3
88.98814	3.9
89.02454	67.4
96.96026	11.0
97.02972	7.3
99.00888	11.2
101.02460	30.2
101.83345	2.6
111.00861	2.5
113.02450	17.0
115.04001	3.3
116.92880	2.5
119.03490	6.6
125.02455	20.3
131.03503	16.8
143.03505	2.4
149.04573	28.1
151.04008	5.5
160.01718	2.5
161.02495	2.3
161.04587	5.5
165.04015	2.9
165.05505	3.3
165.09241	17.8
175.04056	3.1
179.74512	2.0
191.05594	11.5
223.06091	4.5
225.07782	14.0
233.06589	11.5
258.68985	2.2
293.08786	50.8
387.16623	10.0
431.01910	2.9
483.24335	2.6
501.19534	3.7
519.20850	37.0
520.21204	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	519.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.6
57.03454	14.2
59.01385	19.8
60.01718	0.4
61.98826	1.2
69.59976	0.6
69.60378	1.8
71.01387	6.6
72.99303	0.5
73.02966	2.2
73.70728	0.3
75.00882	1.3
77.82403	0.3
81.03465	1.4
81.85085	0.4
83.01397	0.7
83.05009	0.5
85.02959	3.1
87.00876	0.6
89.02473	2.1
95.01401	0.8
98.20646	0.5
99.00876	1.2
99.04527	7.2
101.02455	8.6
101.66026	0.4
103.59040	0.4
107.42493	0.4
108.02213	0.6
110.26684	0.4
111.00858	0.6
113.02452	3.1
119.03513	0.6
122.03739	8.0
124.04108	0.4
125.02453	7.0
135.03029	4.1
136.07661	0.7
137.02493	0.9
143.03499	0.7
148.10269	0.3
154.17079	0.4
159.02936	0.4
161.04616	2.1
169.04120	0.4
169.10252	1.0
171.08171	3.7
174.05983	0.4
201.92061	0.4
213.09229	100.0
214.09515	5.0
237.09215	0.6
255.06750	1.9
255.10384	0.6
315.08948	0.7
315.25348	1.2
327.25601	0.5
357.13602	1.2
357.26474	1.3
371.24588	1.1
375.14587	2.8
387.23676	0.8
399.35162	0.4
417.15771	0.7
417.25009	0.6
444.19318	0.8
459.29758	3.4
477.30753	1.1
487.17178	0.5
488.18512	0.6
519.18713	1.3
519.32172	9.0
520.32288	0.8
531.25446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1876
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01884	1.0
57.03451	2.0
59.01110	0.9
59.01389	12.7
69.65623	3.4
71.01387	9.2
72.99287	0.6
73.02947	3.6
79.30375	0.6
83.01415	2.0
85.02955	4.6
87.00879	0.9
89.02443	3.3
93.03477	1.2
95.01407	0.7
97.02984	0.7
99.00902	1.2
101.02454	6.1
108.02186	1.8
109.02977	1.0
113.02455	4.7
119.03515	0.7
121.02966	5.5
122.03761	3.0
124.01669	0.5
125.02470	1.3
126.47141	0.5
136.01675	71.3
137.02325	2.0
143.03496	1.0
148.35799	0.6
149.02486	0.6
151.04021	100.0
152.04379	2.3
160.05305	1.1
161.02470	0.8
161.04546	3.1
161.05772	0.5
162.03265	1.2
163.03958	0.8
175.03934	1.0
175.07637	1.3
177.05594	0.6
189.05560	0.6
191.05653	0.8
193.05022	0.7
207.13788	0.7
225.11240	1.0
244.95952	0.6
245.17580	1.8
271.06366	0.6
311.12863	1.0
342.11142	5.2
357.13458	88.9
358.13809	7.6
375.27533	0.6
387.20200	1.5
387.24020	1.7
389.22070	1.2
511.96353	0.5
519.11548	0.8
519.24408	7.3
519.31830	6.5
520.32397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01387	26.0
59.01690	1.3
61.98822	1.8
69.03447	0.5
71.01385	7.1
71.54763	0.7
72.99342	0.7
73.02945	2.4
75.00881	0.8
83.01392	1.4
83.05034	0.7
85.02951	4.5
87.00850	0.5
89.02459	7.2
93.03452	0.5
95.01388	0.8
96.96033	5.8
99.00898	1.4
101.02470	5.4
111.00856	0.7
113.02464	3.5
119.03513	2.2
119.04990	1.0
123.04540	2.0
125.02457	0.9
131.03514	1.8
132.24988	0.5
134.03725	2.1
135.04546	0.7
137.02428	1.0
138.03276	1.2
139.00415	0.7
143.03519	0.7
149.04607	2.6
149.06075	2.1
150.03268	4.1
151.04028	6.9
153.01906	0.5
153.05606	2.9
154.02736	1.3
155.03496	0.5
161.04587	1.5
162.03181	0.8
163.07809	0.7
163.11296	1.1
164.04807	1.2
165.01895	2.5
165.05579	16.0
166.06349	5.3
177.05586	1.7
179.05605	1.0
181.05095	3.0
181.08734	2.3
191.05589	0.6
193.05080	0.9
195.04996	0.7
221.06401	0.5
225.07710	100.0
226.08089	4.2
241.08607	1.0
255.12473	0.8
281.08786	0.6
316.55917	0.6
327.08951	1.1
387.12817	12.6
387.16833	1.5
388.12997	0.7
427.37610	0.6
459.22147	0.7
519.14575	1.3
519.22174	3.6
533.78265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01383	21.6
61.98828	0.6
69.03437	0.4
71.01389	6.1
71.55059	0.3
73.02927	1.6
75.00880	0.5
83.01389	0.6
85.02951	2.0
87.00864	0.7
89.02456	5.8
95.01431	0.3
95.05031	0.3
96.96030	1.4
99.00902	2.0
99.04517	0.4
101.02456	3.5
109.03001	0.5
111.00887	0.5
113.02454	1.7
114.93432	0.6
115.04022	0.4
116.92808	0.2
119.03497	0.9
121.02934	0.7
122.29681	0.3
123.00879	0.3
123.04528	1.0
125.02448	0.5
131.03517	1.7
133.02962	1.2
134.03748	1.6
135.04515	0.5
136.01747	0.4
136.98860	0.3
137.02435	1.5
137.05989	0.3
138.03235	1.3
139.00359	1.1
142.70383	0.3
149.02504	0.6
149.04581	2.5
149.06073	2.0
150.03242	1.0
151.04015	8.4
152.04778	1.1
153.01953	0.3
153.05582	3.4
154.02730	1.2
155.03482	0.5
161.04576	1.1
163.11293	1.3
164.04745	0.4
165.01973	2.9
165.05579	13.6
166.02713	0.4
166.06361	4.6
167.03481	0.8
175.03946	0.4
175.54420	0.3
177.01956	0.5
179.03572	0.5
179.07117	0.3
180.04285	0.3
180.06812	0.3
181.05090	3.3
181.08649	1.3
191.05647	0.7
210.05412	0.5
225.07698	100.0
226.05995	0.3
226.08043	4.0
285.04340	0.3
293.08923	0.3
297.03976	1.0
298.04745	0.6
299.05609	0.4
311.05716	0.9
312.06427	0.9
313.07236	0.5
325.94418	0.3
327.05109	0.7
339.05057	1.6
341.06525	0.3
354.06390	0.3
355.04492	0.4
357.06171	0.7
357.12305	1.2
369.06165	1.2
387.12894	9.6
388.13242	0.3
399.07184	4.2
400.07816	0.3
406.98230	0.3
411.07471	0.4
429.08188	2.3
447.09039	0.3
459.09256	0.3
459.22763	0.6
501.09778	0.5
519.11298	5.2
519.20776	4.8
520.11462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18029	0.4
56.71754	0.4
57.03485	1.0
59.01389	13.7
61.98836	13.0
71.01388	4.5
71.54733	0.6
73.02962	2.8
83.01435	0.9
83.05087	0.6
85.02946	2.5
87.00931	0.7
89.02460	2.7
95.01421	1.2
95.17857	0.4
96.96068	0.8
99.00936	0.9
99.92609	0.5
101.02469	2.5
111.00941	0.6
113.02475	2.8
116.92939	2.1
119.03580	0.7
123.00896	5.8
124.01764	0.5
125.02458	5.5
132.02254	1.1
136.01750	0.6
139.04019	0.7
148.01801	0.9
149.02509	0.8
151.04008	0.7
160.01686	3.5
161.02495	6.0
173.06084	0.5
183.04552	1.0
185.06180	1.3
187.04105	0.7
190.70508	0.4
195.04558	1.7
199.04056	0.8
200.04831	0.8
201.05611	3.9
205.07426	0.5
211.04062	2.0
213.05571	2.3
213.09283	0.6
215.03500	0.7
223.04088	0.9
227.03532	1.0
228.04301	1.6
229.05070	6.7
237.09364	0.5
239.03502	3.3
240.04205	0.6
241.05130	1.6
243.02957	1.3
249.06212	0.5
255.02965	0.8
256.03979	0.7
257.04550	5.6
258.05252	0.5
267.03009	3.4
267.07263	0.8
268.03653	1.0
270.01645	0.7
271.02505	2.5
271.06049	0.7
282.05438	3.9
283.02600	0.6
283.05994	0.7
284.03311	5.5
285.04074	71.6
286.04437	3.9
298.04736	0.8
299.02011	3.7
299.05627	3.1
300.02957	4.2
300.06384	62.9
301.06854	3.7
314.04568	2.2
314.07672	0.6
315.05402	5.5
315.08749	100.0
316.05804	0.7
316.09103	5.5
357.13657	1.1
371.24384	1.6
387.23969	3.5
410.07440	0.5
415.23151	0.8
439.50714	0.5
459.13141	3.6
460.13046	0.6
504.12720	0.8
519.14606	6.5
519.24152	3.2
519.31165	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
57.03461	0.8
59.01386	38.8
60.01734	0.5
61.98830	1.6
67.12920	0.3
71.01393	4.2
71.55644	0.5
72.99313	0.7
73.02953	1.7
75.00888	1.2
81.43816	0.3
83.01398	0.7
85.02959	2.2
87.00909	0.6
87.04533	0.7
88.98809	0.7
89.02472	1.8
95.01398	0.6
96.96032	0.9
99.00906	0.6
101.02464	2.6
103.00411	0.3
111.78432	0.3
113.02464	2.5
116.92845	0.4
117.01984	0.3
119.03513	0.7
124.01727	0.5
125.02456	0.3
134.03777	0.5
137.02505	0.4
148.48627	0.3
160.01752	0.3
161.04671	0.6
174.03566	0.4
181.08736	0.4
183.04471	0.7
195.04552	3.1
209.11916	0.4
210.06998	0.4
211.04062	2.1
223.04005	1.0
225.05565	0.4
226.06268	0.3
239.03510	20.6
240.03806	0.6
245.47572	0.3
249.06226	0.8
253.05084	0.7
254.03172	0.7
254.05858	14.2
255.03079	0.4
255.06184	0.6
256.03848	0.6
266.02206	0.3
267.02985	5.9
267.06091	0.4
267.07108	0.5
269.17664	0.4
270.05582	0.4
271.06006	0.4
281.04666	0.9
282.05359	64.4
283.05728	3.3
285.07642	0.6
297.07700	100.0
298.08023	5.4
315.05157	0.6
315.08661	0.7
357.26556	0.7
371.24390	1.3
386.07843	0.4
387.19678	1.5
387.24078	1.3
399.23557	0.4
459.25897	0.7
501.02704	0.4
519.23883	4.0
519.32648	2.5
520.24988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01385	42.2
61.98801	0.7
69.22582	1.0
69.22984	4.5
69.81561	0.6
71.01385	4.3
72.04185	0.5
72.99298	0.8
73.02928	2.4
83.01382	1.1
85.02919	2.1
89.02436	2.7
96.95999	0.9
98.19948	1.1
101.02481	3.7
111.00838	0.5
113.02438	2.4
119.03559	0.7
123.00871	0.8
141.64700	0.6
161.04482	1.4
183.04457	0.8
195.04530	1.8
211.03949	3.2
223.04088	2.0
228.58476	0.6
239.03508	17.7
240.03874	0.7
254.05864	1.1
267.03018	30.1
268.03381	1.7
270.69910	0.6
282.05365	89.9
283.05811	4.3
285.03976	1.2
297.07712	100.0
298.08011	6.3
300.06241	0.7
310.92059	0.6
315.08701	5.0
357.26581	0.8
371.24384	5.6
387.23767	1.5
399.23853	0.9
417.25012	1.2
459.29663	2.5
519.31512	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18029	0.4
56.71754	0.4
57.03485	1.0
59.01389	13.7
61.98836	13.0
71.01388	4.5
71.54733	0.6
73.02962	2.8
83.01435	0.9
83.05087	0.6
85.02946	2.5
87.00931	0.7
89.02460	2.7
95.01421	1.2
95.17857	0.4
96.96068	0.8
99.00936	0.9
99.92609	0.5
101.02469	2.5
111.00941	0.6
113.02475	2.8
116.92939	2.1
119.03580	0.7
123.00896	5.8
124.01764	0.5
125.02458	5.5
132.02254	1.1
136.01750	0.6
139.04019	0.7
148.01801	0.9
149.02509	0.8
151.04008	0.7
160.01686	3.5
161.02495	6.0
173.06084	0.5
183.04552	1.0
185.06180	1.3
187.04105	0.7
190.70508	0.4
195.04558	1.7
199.04056	0.8
200.04831	0.8
201.05611	3.9
205.07426	0.5
211.04062	2.0
213.05571	2.3
213.09283	0.6
215.03500	0.7
223.04088	0.9
227.03532	1.0
228.04301	1.6
229.05070	6.7
237.09364	0.5
239.03502	3.3
240.04205	0.6
241.05130	1.6
243.02957	1.3
249.06212	0.5
255.02965	0.8
256.03979	0.7
257.04550	5.6
258.05252	0.5
267.03009	3.4
267.07263	0.8
268.03653	1.0
270.01645	0.7
271.02505	2.5
271.06049	0.7
282.05438	3.9
283.02600	0.6
283.05994	0.7
284.03311	5.5
285.04074	71.6
286.04437	3.9
298.04736	0.8
299.02011	3.7
299.05627	3.1
300.02957	4.2
300.06384	62.9
301.06854	3.7
314.04568	2.2
314.07672	0.6
315.05402	5.5
315.08749	100.0
316.05804	0.7
316.09103	5.5
357.13657	1.1
371.24384	1.6
387.23969	3.5
410.07440	0.5
415.23151	0.8
439.50714	0.5
459.13141	3.6
460.13046	0.6
504.12720	0.8
519.14606	6.5
519.24152	3.2
519.31165	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81217	1.0
56.88831	1.0
57.03455	5.1
58.40664	1.1
59.01112	1.7
59.01382	22.6
61.98814	4.8
69.03426	1.3
69.58450	2.5
69.58868	4.7
71.01390	14.1
72.14130	1.1
72.99290	2.7
73.02920	1.8
75.00470	1.7
75.00880	30.7
83.01385	2.4
84.02135	1.3
85.02958	11.0
87.00896	10.0
88.98827	1.1
89.02444	8.4
96.96025	13.9
97.02958	1.8
98.21635	1.2
99.00896	6.1
101.02441	5.1
102.08907	1.1
109.02873	1.0
111.00865	2.9
113.02439	3.5
119.05029	1.3
123.04543	11.0
129.01947	14.4
133.02980	5.2
134.03737	3.3
135.04532	60.4
136.04816	1.4
137.02437	2.5
139.00339	1.7
141.01883	1.5
149.06038	3.9
151.03963	1.7
153.05589	19.0
159.02998	7.5
161.02451	40.3
161.04456	2.0
163.04126	1.5
165.05528	3.5
177.04022	26.1
177.05571	7.2
177.15749	1.2
179.03503	52.6
180.03906	2.2
195.05109	66.2
205.45131	1.1
209.61044	1.2
221.04604	7.0
225.07687	19.9
239.44331	1.1
259.40192	1.1
263.01254	1.0
277.07047	2.4
281.06671	1.8
284.07047	1.0
297.09781	1.9
315.10898	3.0
321.06079	1.8
323.07693	1.2
339.07196	31.9
339.25394	1.2
340.07361	1.9
341.08691	4.6
355.10840	1.2
357.08163	16.5
357.11908	5.6
383.09811	1.5
483.11429	4.0
501.12366	4.7
509.75345	1.3
519.13489	100.0
520.13782	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	519.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50041	0.4
59.01383	11.8
59.93095	0.3
61.98843	0.9
69.52408	2.5
71.01392	3.1
72.99330	0.4
73.02959	0.8
75.00928	0.4
83.01402	0.5
85.02962	1.2
87.00896	1.0
89.02444	1.4
95.01447	0.3
101.02460	1.6
113.02472	1.3
117.11043	0.3
119.03550	0.8
121.03008	0.6
125.02440	0.4
132.02179	0.6
133.03036	0.6
145.02986	0.5
149.02492	0.6
175.04062	0.3
207.03017	0.4
211.07619	0.4
214.02859	0.4
214.06335	0.5
232.03821	0.7
239.03406	0.5
240.04370	0.5
242.02312	0.9
247.06131	1.2
256.03696	0.4
257.04572	0.9
258.01859	0.4
259.02487	0.6
272.03113	0.4
273.04105	0.8
285.04147	1.1
285.46454	0.4
287.07138	0.5
294.15646	0.5
297.04611	0.3
299.05850	0.4
313.03772	1.2
314.05759	0.7
315.06635	0.6
316.59836	0.3
327.06091	0.5
329.07999	0.5
331.06088	0.5
339.25632	0.5
340.02371	0.6
341.04544	0.7
342.05475	0.9
343.06094	1.5
346.08438	0.6
354.05414	0.4
355.05072	0.5
356.07056	0.6
357.03836	0.5
357.07657	1.5
357.26569	0.7
358.04669	0.8
359.05560	1.0
369.03711	0.6
370.04776	1.2
371.05469	1.4
371.14990	0.6
372.06305	0.6
373.07452	1.6
374.08011	1.4
384.06439	0.8
385.07150	1.4
386.04227	1.1
386.08414	0.6
387.04965	3.4
388.05768	1.2
389.10330	0.5
390.07495	0.4
398.04013	0.7
399.09042	0.8
400.05685	0.8
401.06561	2.1
402.07297	1.3
412.05786	0.8
413.06790	0.8
414.03488	1.1
414.07693	1.2
415.04370	4.7
416.04971	0.8
417.10037	0.9
418.06839	0.5
427.08160	1.2
429.05695	2.5
430.06989	9.5
431.07413	1.0
433.09125	0.8
442.02951	1.9
443.03220	0.7
443.08612	0.9
444.18912	0.5
445.09595	1.9
457.05667	3.8
458.06119	0.8
459.29666	0.6
461.08786	0.6
471.07251	1.1
472.07629	0.4
473.08817	5.9
474.05948	0.7
488.07690	1.9
489.08218	3.4
490.08655	0.4
503.09912	4.4
504.10760	5.3
505.11395	0.4
519.13000	100.0
519.31061	5.5
520.13257	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	519.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	9.3
61.98845	2.7
66.36273	1.0
71.01379	3.0
71.55085	1.8
85.02970	1.3
96.96023	4.4
132.02177	2.0
147.00893	2.6
147.04587	1.3
151.04004	1.3
152.32907	1.2
167.04936	1.4
167.15515	1.2
179.03510	13.8
183.04529	2.1
195.04568	3.3
207.03003	49.7
208.03296	2.0
211.04037	5.2
222.05338	48.0
223.04008	3.1
223.05844	2.1
224.04774	3.6
237.07692	100.0
238.08049	4.0
239.03522	14.3
240.03995	1.9
260.72617	1.1
267.02994	18.2
268.03796	9.5
274.61227	1.1
281.04922	1.4
282.05341	35.7
283.06064	11.9
297.53979	1.1
320.17667	1.3
320.69119	1.0
373.59082	1.2
384.62677	1.1
519.09528	1.2
519.25494	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29680	0.4
58.39699	0.5
59.01377	1.0
61.98819	0.5
65.00317	0.4
71.54653	0.4
96.96026	1.1
109.26844	0.4
117.03480	0.6
119.01420	0.6
132.02185	0.8
147.00893	3.9
151.04025	1.3
155.05069	0.6
167.05026	1.4
175.00400	0.6
179.03526	12.7
180.03859	0.6
183.04494	1.5
192.04283	1.0
195.04564	3.1
196.05078	0.4
207.03000	51.7
207.06538	1.6
208.03329	1.5
211.04019	5.1
212.04752	1.6
221.04535	0.8
222.05342	53.6
223.03833	2.2
223.05713	1.8
223.07512	0.5
224.04826	3.7
237.07700	100.0
238.08066	4.1
239.03511	15.0
240.04155	1.4
256.03687	0.8
266.59134	0.5
267.02988	17.4
268.03751	9.2
278.15268	0.5
282.05356	37.1
283.06100	9.9
287.12454	0.5
297.07739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1145
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.75624	0.5
58.48244	0.4
59.01379	3.8
61.98833	5.8
65.00333	0.7
69.43868	0.7
69.44278	2.6
71.01390	1.5
83.01414	0.9
85.02951	0.7
94.16010	0.4
98.20613	1.0
99.04554	0.4
101.02457	0.9
103.22560	0.4
107.01406	1.2
108.02196	0.4
109.02960	0.7
113.02463	0.8
122.03072	0.5
142.16362	0.4
145.02965	1.0
151.00372	5.8
151.04008	0.8
157.02940	0.5
159.04555	0.5
167.05127	0.6
171.04524	1.1
183.04469	3.3
185.02432	0.9
187.04025	1.5
199.04016	8.1
201.02023	0.5
203.03557	0.7
215.03450	2.6
226.02747	0.7
227.03528	7.1
227.86777	0.5
228.04207	0.6
242.02127	2.2
243.02994	23.7
244.03568	1.9
254.02199	0.8
255.02992	21.3
256.03537	1.3
257.04578	1.2
259.06174	0.8
270.01740	1.5
271.02490	42.9
272.03079	4.8
285.04041	4.0
286.04727	0.8
287.05609	1.5
287.28568	0.4
299.01987	77.3
300.02716	28.4
301.03171	1.1
302.10266	0.5
314.04330	55.0
315.05112	100.0
316.05432	5.7
357.06290	0.7
357.13388	0.7
363.53156	0.5
387.23987	1.6
519.11450	40.5
520.11847	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	519.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	1.2
57.03451	4.6
58.00594	1.6
59.01384	47.7
62.30218	1.0
65.80801	1.0
69.26058	1.0
71.01393	23.4
71.54766	2.1
72.99324	2.5
73.02946	10.8
75.00879	24.3
77.85452	1.1
83.01405	3.8
85.02959	10.9
87.00893	4.6
89.02452	12.6
91.01909	1.5
93.03479	4.0
99.00896	4.2
99.91982	1.0
101.02449	12.6
101.09602	1.1
108.27551	1.1
109.02973	10.0
111.00890	2.1
113.02457	8.2
117.03484	1.2
119.03478	2.2
119.05035	1.8
121.02965	3.6
121.10261	2.7
122.06120	2.6
123.04509	1.5
129.01967	9.7
129.03467	2.7
129.32532	1.1
130.04256	2.5
131.03496	2.4
131.05038	6.9
135.00891	1.4
137.02464	7.7
143.05006	6.0
145.02940	7.2
146.03767	11.2
147.04520	23.8
149.04573	3.8
151.04008	1.3
159.03023	3.7
159.04530	3.9
160.01619	2.7
161.04581	2.9
162.05602	1.9
175.03984	3.1
177.04071	12.6
179.10817	2.2
190.05182	1.9
193.05003	1.9
195.05107	28.2
223.07698	1.9
229.01477	2.8
233.06012	4.6
234.06885	1.2
235.07678	4.8
237.05637	7.2
249.05562	1.6
250.06345	2.2
251.07135	46.0
252.07570	4.0
253.08723	37.7
254.09033	3.1
261.05591	2.6
277.05188	1.4
278.05853	3.7
279.06650	21.7
295.06033	1.9
297.07617	6.8
323.05606	100.0
324.06061	6.4
327.12222	1.6
339.12451	1.7
341.06763	8.8
387.16599	18.6
429.13028	1.4
475.12430	3.5
501.09805	1.5
519.11505	32.7
519.24139	5.2
519.32050	2.3
520.11743	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	518.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58239	0.9
58.11555	0.8
59.01374	1.8
61.98837	100.0
62.43763	0.8
67.54139	1.0
69.44350	6.9
114.10967	0.9
117.70185	0.9
138.75543	0.8
237.09358	1.1
288.16922	1.2
420.22372	1.3
423.43277	1.0
518.26270	1.7
519.27429	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	518.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
61.98836	100.0
62.86214	1.1
63.97247	1.2
69.50136	4.7
69.50575	4.3
78.95918	1.7
90.59787	1.1
116.66087	1.1
119.04996	1.4
121.02970	8.3
135.04549	5.1
149.78378	1.3
152.99606	1.3
172.81744	1.3
252.50487	1.4
267.32516	1.3
313.07196	3.8
368.54688	1.3
518.27124	3.2
519.12817	2.7
519.25049	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	518.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
59.67798	1.0
61.98836	100.0
71.54861	1.4
72.31471	0.9
78.95895	3.8
92.31374	0.9
97.63935	1.1
143.76857	1.0
143.99203	1.0
152.99571	5.7
157.29436	1.1
160.03706	0.9
169.94373	1.0
217.00334	1.2
249.41797	1.0
306.21707	1.1
430.67194	1.1
431.22021	1.7
479.46906	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	518.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27852	0.4
59.01392	0.6
60.63586	0.4
61.98837	100.0
71.25893	1.0
114.13934	0.4
202.13835	0.4
221.69164	0.4
225.09337	0.6
240.96594	0.4
284.70786	0.4
407.18515	0.6
416.52698	0.4
518.26300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74793	0.5
59.01390	1.2
61.98837	100.0
63.32370	0.5
71.54937	0.8
173.65860	0.5
283.09933	0.7
295.10071	0.7
301.05627	0.6
518.33368	0.8
519.27838	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	517.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10432	0.6
53.24707	0.6
59.01386	100.0
61.98840	2.9
70.20065	2.5
98.19956	0.6
126.14851	0.7
150.03355	1.1
177.09189	0.6
205.08792	1.8
222.24352	0.6
253.08827	0.8
296.14340	2.9
296.45267	0.6
315.52460	0.7
383.14182	0.6
443.31610	1.3
455.35535	1.8
464.07339	0.7
517.25745	1.1
517.33209	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	518.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01385	57.8
60.01711	1.8
61.98836	100.0
69.40347	4.9
71.01385	12.4
71.37418	0.6
72.99352	0.7
73.02953	12.8
75.00871	1.5
81.03555	0.6
82.95420	1.0
83.00983	0.6
83.01390	3.5
83.67522	0.7
85.02943	4.5
87.00899	1.3
87.04549	1.5
89.02457	3.9
89.29621	0.6
95.01408	1.8
96.96029	1.0
99.00896	1.8
101.02444	11.3
109.02937	0.7
113.02476	7.2
119.03513	1.6
125.02425	1.0
131.03552	1.0
135.04559	0.9
136.04816	0.6
143.03577	1.0
149.04587	1.8
161.04572	3.9
179.03566	1.1
205.12477	0.6
227.03293	0.7
228.03700	0.7
242.70598	0.6
249.06247	1.5
255.03027	1.4
256.03427	1.2
267.07230	1.5
283.02475	1.1
284.02936	1.2
285.04031	1.1
298.04721	4.9
299.05161	6.2
300.06180	2.1
313.07187	6.7
314.07538	10.9
314.11047	0.9
315.05453	0.8
315.08752	4.0
371.24362	1.0
387.24261	2.0
399.24185	1.8
417.25491	0.8
460.19186	0.7
518.13818	3.6
518.30750	1.6
519.15137	1.1
519.24634	6.6
519.31647	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	517.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
57.03454	52.2
58.00600	1.7
59.01385	100.0
61.98838	8.0
67.35719	0.6
69.03461	1.6
71.01389	31.5
71.55814	0.9
72.99317	4.2
73.02950	14.5
75.00886	8.0
81.03469	1.8
83.01387	4.8
83.05090	0.8
85.02958	18.1
87.00871	6.7
89.02451	13.9
91.04031	1.0
93.03477	1.7
95.01394	3.9
96.96044	2.1
97.02962	1.2
97.06569	0.9
99.00893	6.2
99.04532	46.1
100.04839	1.0
101.02450	26.4
103.00373	1.3
111.00883	0.9
113.02464	27.1
113.06097	1.0
115.00372	1.8
116.92879	2.5
117.01960	1.4
117.03487	1.4
119.03523	5.0
122.64880	0.7
123.04552	5.9
123.05342	1.1
125.02457	14.9
129.01936	1.2
131.03508	1.8
134.03697	1.1
137.02464	2.8
141.05615	1.4
143.03496	3.2
149.04538	3.0
157.01404	0.9
161.04544	5.4
161.09756	1.7
161.13374	1.1
175.02470	1.4
179.05688	2.0
187.11259	2.1
189.09172	1.3
203.05498	1.1
205.12244	1.4
221.06592	1.4
223.46686	0.7
249.06172	10.4
267.07220	36.6
268.03702	2.7
268.07535	1.2
269.04547	16.1
270.05026	1.6
311.05450	0.9
313.06390	0.7
341.15753	1.1
371.09622	1.2
385.22421	1.1
397.22144	3.1
415.23282	2.1
431.09637	2.2
457.17191	1.2
457.24069	0.8
473.20285	2.0
499.18167	1.8
517.19073	55.1
518.19458	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03433	1.9
58.00593	3.8
59.01386	100.0
61.98835	2.2
63.41325	1.0
71.01388	57.1
71.05048	1.1
71.55458	1.3
72.99334	5.1
73.02945	3.0
75.00854	1.1
83.01384	3.8
83.05052	1.3
85.02957	12.5
87.00891	2.5
89.02454	52.0
95.01389	3.4
97.18250	1.1
99.00829	1.6
101.01798	2.1
101.02449	30.0
102.35777	1.0
107.05019	1.0
113.02466	20.8
119.03522	16.9
119.05002	2.4
121.02311	1.0
121.02982	11.4
125.02457	1.0
128.03526	1.4
131.03612	1.2
135.04477	1.5
143.03445	2.3
148.01703	1.4
149.04501	1.6
161.04591	2.5
177.05560	1.2
179.05675	5.0
179.86188	0.9
187.07608	2.9
189.09204	6.7
201.09244	2.5
204.08043	1.3
207.10329	4.7
213.09264	1.6
223.07587	1.2
225.09265	2.2
237.09192	3.2
238.09784	1.3
241.12274	1.6
244.69786	1.0
261.08725	3.0
261.12827	2.4
263.10571	1.0
263.14362	4.5
277.12286	8.4
278.13214	6.7
291.13962	1.7
293.15500	65.2
294.15842	3.5
307.13501	7.9
309.15036	1.3
310.12125	1.3
311.16528	8.2
313.23691	1.4
334.87860	1.1
337.14478	78.3
337.23541	3.2
338.14841	5.2
355.15558	19.2
356.16000	1.6
374.15256	1.1
457.28168	3.0
475.28970	2.2
517.13397	1.6
517.20819	10.4
517.30127	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	517.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	25.9
58.56497	3.8
59.01386	100.0
65.98952	3.6
69.03442	4.6
70.00427	4.1
71.01018	5.7
71.01389	77.1
71.55255	4.4
73.02939	13.3
85.02962	21.6
87.00887	18.9
89.02456	63.1
93.03438	6.2
96.96004	12.2
97.02966	7.2
99.00896	10.9
99.04485	5.1
101.02461	26.3
109.43880	3.7
111.00884	5.0
113.02478	18.1
119.03490	5.9
121.02999	4.3
125.02444	25.4
128.90141	4.7
131.03500	12.8
132.02187	7.1
133.02940	3.7
134.03751	44.1
135.04564	3.9
136.71242	3.7
137.02365	4.5
143.03557	4.2
144.06779	4.0
149.02505	8.2
149.04546	34.3
149.06056	7.0
160.01691	46.6
161.02155	4.8
163.07640	13.1
164.04808	8.8
175.04012	68.3
191.05602	5.5
191.07129	6.2
193.05078	44.8
208.03731	7.4
212.05112	9.6
223.06093	25.5
227.07495	5.5
227.40515	3.8
233.06621	13.2
235.06046	15.2
253.07204	6.5
253.61220	3.7
265.07196	7.4
293.08810	57.4
295.08206	4.5
337.09369	12.4
389.13049	4.8
517.15137	34.9
518.25854	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	517.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
59.01386	19.8
61.98829	0.4
68.26508	0.3
69.17229	2.7
69.30352	0.3
71.01388	3.0
72.00890	0.3
73.02949	1.3
75.00882	0.4
79.16597	0.3
83.01391	0.8
85.02951	1.2
87.00851	0.5
89.02471	1.6
89.59007	0.4
93.03461	1.0
95.01421	0.4
96.95977	0.4
98.20643	0.8
98.45081	0.3
99.00882	0.6
101.02441	2.1
103.03955	0.4
105.78746	0.3
113.02477	1.9
119.03470	0.4
131.03522	0.5
137.02449	1.3
142.67625	0.3
144.38240	0.4
146.21516	0.3
148.47020	0.3
149.04570	0.6
155.05035	1.1
157.06508	0.6
161.04541	0.7
161.99594	1.0
164.01144	0.4
167.04991	0.6
171.04509	0.3
173.06062	1.0
177.24606	0.3
182.03787	0.4
183.04527	2.5
185.06110	0.3
189.99126	0.6
195.04691	0.4
198.03238	0.5
199.04056	1.8
203.07140	0.8
211.04001	4.9
213.05527	0.5
215.03630	0.4
226.02716	1.2
227.03511	12.7
228.03812	0.5
238.02600	0.5
239.03490	3.8
241.05063	3.8
242.05745	0.4
254.02397	0.4
255.02972	7.2
256.03238	0.3
266.02206	0.4
268.07455	0.3
281.04626	0.7
282.01801	0.6
282.05026	0.4
283.02502	18.3
284.02914	1.2
297.04053	2.7
298.04840	67.8
299.05191	4.3
312.06418	2.1
313.07193	100.0
314.07599	6.9
397.22324	1.3
415.23480	1.1
457.11444	3.4
457.23947	0.5
517.13507	6.1
517.29944	0.5
518.13879	0.9
518.21814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1354
Annotation	Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
56.43186	0.8
57.56498	0.8
58.36143	0.9
59.01387	15.6
69.28076	0.9
71.01390	3.0
73.02956	1.5
83.01436	0.9
85.02961	2.6
86.04287	0.8
87.00917	0.9
89.61313	0.8
96.83524	0.8
98.20663	3.0
101.02488	1.3
109.37011	1.0
113.02475	1.7
131.03383	0.9
132.02213	1.5
136.01666	0.9
137.02446	4.5
160.01610	1.6
161.02448	3.3
185.06076	1.4
197.06056	1.3
199.04012	1.0
200.04871	1.3
211.04048	1.3
213.05597	8.9
214.06392	2.4
225.05548	1.5
227.03540	2.6
241.05043	3.7
245.46071	0.9
252.04300	3.1
253.05124	2.2
255.02992	3.2
269.04553	6.4
270.05307	7.3
280.03781	1.0
281.04630	1.8
283.02386	2.2
297.03998	3.2
298.04840	100.0
299.05185	5.2
313.07184	60.0
314.07538	2.9
426.62961	0.8
455.87485	1.0
471.83206	0.9
517.22815	3.2
517.30444	2.1
527.42181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1358
Annotation	Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03461	2.3
59.01384	69.7
60.01727	0.8
60.78729	0.5
61.98836	19.6
66.26447	0.5
69.03449	0.9
71.01386	9.4
72.99323	0.9
73.02944	4.5
75.00905	1.4
79.09876	0.6
82.95451	0.8
83.01389	1.8
85.02968	5.4
87.00895	1.5
88.19424	0.5
89.02454	4.2
89.92892	0.6
95.01402	1.1
96.96021	3.7
97.02947	0.7
99.04527	1.5
101.02458	8.1
109.20789	0.5
111.00912	0.7
113.02457	6.8
116.92862	3.0
119.03542	1.3
125.02511	0.6
131.03575	0.7
133.62651	0.7
135.04549	6.5
143.03593	0.6
145.02986	0.7
149.04619	0.6
161.04597	2.4
161.99620	0.7
166.26222	0.6
167.04922	0.7
172.82417	0.6
173.06085	2.0
175.03969	1.4
179.03513	5.3
183.04562	1.4
185.06065	0.8
195.04642	0.7
198.03206	0.9
199.03912	0.6
203.07179	1.1
210.03174	0.6
211.04036	4.6
213.05661	1.1
226.02669	1.9
226.06314	1.4
227.03529	8.3
228.10109	0.6
238.02641	0.8
239.03583	2.9
241.05049	8.0
249.06099	1.3
254.02255	1.7
255.03017	6.1
256.03226	0.6
266.02328	0.6
267.07239	1.7
268.03882	0.6
269.04547	1.9
270.05307	0.6
282.01825	0.9
283.02496	14.1
284.02829	0.8
297.04047	8.1
298.04843	60.5
299.05331	3.9
311.05603	0.9
312.06384	4.9
313.07193	100.0
314.07471	6.2
348.41489	0.6
357.19156	1.2
366.13535	0.6
385.22482	1.3
397.22351	1.5
415.23401	1.3
424.01913	0.5
433.08905	0.6
457.11710	3.9
457.28867	2.7
475.29114	1.1
517.13458	19.9
517.22528	1.8
517.30951	3.0
518.13849	1.6
536.80237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70654	0.6
55.01853	0.5
57.03412	1.8
59.01386	58.1
59.01662	2.7
59.01807	2.2
61.98837	16.7
69.03431	0.6
71.01388	8.7
71.14455	0.6
71.14782	0.9
72.99306	0.8
73.02956	5.2
75.00824	0.9
82.95361	1.0
83.01346	2.0
83.05000	0.9
85.02959	5.0
87.00840	0.9
89.02444	3.9
95.01371	0.7
96.95991	2.9
99.00805	1.1
99.04501	0.7
99.92554	0.5
101.02451	5.4
111.00883	0.6
113.02460	4.9
116.92835	1.7
119.03499	0.5
125.02461	0.6
134.03717	0.7
135.02979	0.8
135.04536	5.8
143.03448	1.4
149.04472	1.5
155.04999	0.8
157.06544	0.9
161.04520	2.3
161.99561	1.0
173.06071	1.6
175.03990	0.6
179.03532	5.3
183.04463	1.9
184.76845	0.6
185.06114	1.3
193.05176	0.8
198.03166	1.6
199.03949	0.9
203.07133	1.3
209.02484	0.6
211.04010	5.1
213.05547	1.0
226.02672	2.5
226.06290	1.3
227.03503	7.8
228.03691	0.7
239.03506	3.1
241.05096	8.9
242.05363	0.6
249.06111	1.1
254.02130	1.7
255.03014	6.3
266.02283	0.7
267.07214	1.6
269.04449	1.9
270.05429	0.8
282.01700	1.6
283.02509	16.3
284.02896	1.5
297.04047	7.9
298.04840	60.3
299.05212	3.7
311.05463	0.9
312.06433	3.9
313.07196	100.0
314.07516	5.9
330.02783	0.6
355.08282	1.2
357.19409	1.0
369.23059	0.7
385.22705	1.0
397.22433	1.3
413.75220	0.6
415.23447	1.5
425.26471	0.6
457.11322	3.4
457.28799	1.4
469.92657	0.6
517.13617	18.2
517.22375	3.6
517.30084	2.4
518.13971	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	517.1203
Annotation	Siphonodictyal B3
Peak:m/z	Relative Intensity
56.39810	0.5
56.65602	0.6
58.41317	0.7
59.01382	1.0
61.98840	2.7
63.91756	0.6
65.00334	1.0
70.71480	1.4
83.01388	1.1
87.00895	0.7
95.01379	0.7
95.98613	0.6
96.96037	4.3
109.02956	0.7
110.00058	0.7
110.44792	0.5
111.00905	1.9
123.00881	2.2
124.01669	9.0
125.02422	1.2
127.98416	0.6
137.02437	0.9
139.00377	2.5
139.16565	0.5
141.01926	0.6
151.00385	6.4
152.01166	64.4
153.01830	1.8
163.00386	2.0
165.01947	1.4
165.48323	0.6
178.99879	15.7
180.00499	1.2
187.42741	0.6
193.01395	2.6
195.97095	0.5
207.02997	0.7
208.00142	49.7
209.00888	5.1
223.02536	1.0
223.06027	0.7
239.99052	0.6
341.28644	0.6
410.43677	0.6
471.11041	1.2
517.11975	100.0
518.12299	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	517.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.3
59.01384	69.7
60.01727	0.8
60.78729	0.5
61.98836	19.6
66.26447	0.5
69.03449	0.9
71.01386	9.4
72.99323	0.9
73.02944	4.5
75.00905	1.4
79.09876	0.6
82.95451	0.8
83.01389	1.8
85.02968	5.4
87.00895	1.5
88.19424	0.5
89.02454	4.2
89.92892	0.6
95.01402	1.1
96.96021	3.7
97.02947	0.7
99.04527	1.5
101.02458	8.1
109.20789	0.5
111.00912	0.7
113.02457	6.8
116.92862	3.0
119.03542	1.3
125.02511	0.6
131.03575	0.7
133.62651	0.7
135.04549	6.5
143.03593	0.6
145.02986	0.7
149.04619	0.6
161.04597	2.4
161.99620	0.7
166.26222	0.6
167.04922	0.7
172.82417	0.6
173.06085	2.0
175.03969	1.4
179.03513	5.3
183.04562	1.4
185.06065	0.8
195.04642	0.7
198.03206	0.9
199.03912	0.6
203.07179	1.1
210.03174	0.6
211.04036	4.6
213.05661	1.1
226.02669	1.9
226.06314	1.4
227.03529	8.3
228.10109	0.6
238.02641	0.8
239.03583	2.9
241.05049	8.0
249.06099	1.3
254.02255	1.7
255.03017	6.1
256.03226	0.6
266.02328	0.6
267.07239	1.7
268.03882	0.6
269.04547	1.9
270.05307	0.6
282.01825	0.9
283.02496	14.1
284.02829	0.8
297.04047	8.1
298.04843	60.5
299.05331	3.9
311.05603	0.9
312.06384	4.9
313.07193	100.0
314.07471	6.2
348.41489	0.6
357.19156	1.2
366.13535	0.6
385.22482	1.3
397.22351	1.5
415.23401	1.3
424.01913	0.5
433.08905	0.6
457.11710	3.9
457.28867	2.7
475.29114	1.1
517.13458	19.9
517.22528	1.8
517.30951	3.0
518.13849	1.6
536.80237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.00604	0.4
59.01387	27.3
61.98837	2.1
62.23130	0.4
64.03010	0.4
64.83678	0.4
69.03465	0.5
69.55303	1.0
69.55717	1.8
70.20428	0.4
70.79864	0.4
71.01382	7.3
72.99322	0.7
73.02962	2.4
75.00904	0.7
79.95741	3.5
81.03492	0.7
83.01395	0.9
83.05015	0.5
85.02960	2.1
87.00884	1.1
89.02461	5.1
89.49820	0.4
94.60728	0.4
95.01398	0.9
96.96022	100.0
97.02942	0.7
98.19856	0.5
98.52778	0.4
101.02439	3.4
111.15346	0.4
113.02470	3.6
114.93422	1.1
115.00446	0.5
119.03586	0.8
119.55902	0.4
125.02460	2.0
131.03537	1.7
135.04491	0.6
148.05341	2.6
149.04582	1.9
161.04553	1.2
163.07689	1.1
175.03906	0.5
179.03473	0.5
191.05659	0.6
213.09282	0.7
249.06259	0.8
267.07254	2.5
283.02625	0.7
293.08804	2.6
316.59302	0.5
397.22552	1.2
415.23206	1.0
457.24564	0.7
514.46271	0.5
517.19824	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	517.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.2
59.01387	100.0
68.68273	2.7
71.01382	22.2
73.02953	11.2
75.00880	7.7
85.02959	12.6
87.00883	7.6
89.02444	15.9
93.03461	3.4
95.01408	3.4
96.68606	2.9
96.96017	5.0
99.00860	4.2
101.02447	12.9
107.54860	2.8
109.02962	3.8
109.61134	3.2
111.08122	3.1
113.02483	14.3
115.00375	3.0
116.92918	2.9
117.03476	8.8
119.05008	6.6
132.02179	3.4
134.03766	10.3
135.04570	4.3
145.02995	4.1
147.04539	6.6
149.04579	23.9
161.02522	4.7
161.04617	3.3
161.81035	3.0
163.04019	5.2
165.04109	3.1
171.04750	2.7
175.04065	4.5
193.05086	7.8
211.04053	23.9
213.05600	7.6
226.06395	25.0
239.03647	16.0
241.05045	14.4
241.08702	36.5
254.02457	4.8
256.07388	10.8
267.06967	4.3
268.03806	21.3
269.04568	42.9
270.04773	3.7
271.09790	22.8
281.04532	4.4
283.06192	41.3
285.04233	4.8
295.06204	3.7
298.04901	8.8
299.05405	3.1
311.05624	71.0
312.06110	3.8
313.03674	5.2
313.07123	7.4
313.10690	5.8
323.05576	5.9
341.06616	12.2
355.12247	4.2
357.09738	7.6
413.08783	11.4
473.10886	59.7
517.19995	5.3
517.27271	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.4
58.59444	1.5
59.01386	69.7
67.94331	1.4
70.85305	3.3
71.01379	12.1
72.99320	2.2
73.02955	6.2
75.00884	2.4
77.03960	1.8
83.01418	1.9
83.05052	2.5
85.02957	7.2
87.00883	4.3
89.02444	7.7
93.03478	4.9
95.01406	2.1
96.96000	2.4
97.06595	2.0
97.50740	1.2
99.00869	2.4
99.04543	3.2
101.02460	8.4
105.01955	7.4
106.81788	1.5
113.02466	6.2
115.00372	2.6
116.27464	1.4
116.92878	4.9
117.03448	10.0
119.03535	1.9
119.05022	2.1
121.02968	2.5
126.83000	1.6
127.36439	1.4
130.08731	12.4
133.01387	2.0
134.03714	2.2
135.04497	3.7
143.03569	2.2
146.03650	3.1
147.04507	9.9
149.04532	5.0
149.46248	1.4
159.04497	1.7
161.02423	4.4
163.00203	1.6
165.01886	2.7
172.26102	1.5
175.03983	2.8
193.05026	2.5
201.05650	1.9
205.12196	1.6
239.07106	2.4
247.29536	1.3
253.04968	1.9
263.41245	1.5
267.07098	2.6
269.04541	5.0
281.04636	11.0
282.05338	4.8
283.06125	56.5
284.06354	2.4
295.06000	8.1
311.05637	100.0
312.05957	7.6
313.10715	1.8
314.04013	1.9
323.05560	12.3
341.06628	24.8
353.06555	2.8
357.09357	2.3
395.07910	2.9
413.08817	9.3
431.09796	6.4
472.25830	1.7
473.10965	32.0
473.25601	2.1
474.11215	2.1
516.24030	3.8
517.24805	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	517.004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81754	0.4
59.01385	63.8
61.55306	0.4
67.32246	0.4
67.74878	0.4
67.94431	0.4
68.30818	0.4
69.88738	0.4
71.30058	0.7
88.48812	0.4
90.97154	0.8
113.57615	0.4
118.96685	0.8
120.97006	0.4
132.98224	2.3
132.99100	0.5
157.03508	0.6
174.99257	26.1
201.02570	6.5
211.12982	0.4
217.00310	100.0
218.00639	1.8
358.50568	0.4
359.01489	12.9
374.99234	55.9
375.99615	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	515.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93122	9.1
59.01383	99.9
70.59543	17.3
71.01392	77.5
72.00364	7.8
79.03211	8.0
85.02962	29.8
85.06573	12.3
89.02458	82.5
89.14864	8.0
93.03442	8.3
96.24062	8.1
96.95994	12.5
98.19991	10.2
99.00925	7.8
101.02462	38.1
111.00896	14.3
111.04527	18.8
113.02435	38.4
119.03522	22.7
129.05621	17.1
135.04506	18.8
137.02434	20.2
140.42120	8.4
142.99916	17.7
149.04559	13.8
155.03529	13.5
172.06285	12.0
173.04561	100.0
177.05632	9.4
179.03513	33.6
179.05595	30.1
204.12488	20.5
289.18875	10.4
311.79260	9.7
323.13522	84.8
324.13892	8.6
341.11008	60.7
515.14703	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	515.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66313	0.4
71.17339	0.7
71.17676	0.5
77.35429	0.4
83.21313	0.4
89.09283	0.4
106.04252	0.6
107.05039	0.6
131.14088	0.4
148.72508	0.4
161.46280	0.4
163.11311	30.3
164.11597	1.2
175.11310	1.4
176.12099	1.2
177.09195	1.0
177.12901	4.1
190.10057	0.8
207.10196	0.5
208.11099	3.1
281.15515	1.6
282.16263	3.7
283.17065	5.4
293.15533	1.5
294.16022	0.6
295.16953	0.5
325.34705	0.5
339.23297	100.0
340.23596	7.8
349.21854	0.7
351.23285	6.0
352.23804	0.5
515.35345	72.2
516.35632	9.8
516.42767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93122	9.1
59.01383	99.9
70.59543	17.3
71.01392	77.5
72.00364	7.8
79.03211	8.0
85.02962	29.8
85.06573	12.3
89.02458	82.5
89.14864	8.0
93.03442	8.3
96.24062	8.1
96.95994	12.5
98.19991	10.2
99.00925	7.8
101.02462	38.1
111.00896	14.3
111.04527	18.8
113.02435	38.4
119.03522	22.7
129.05621	17.1
135.04506	18.8
137.02434	20.2
140.42120	8.4
142.99916	17.7
149.04559	13.8
155.03529	13.5
172.06285	12.0
173.04561	100.0
177.05632	9.4
179.03513	33.6
179.05595	30.1
204.12488	20.5
289.18875	10.4
311.79260	9.7
323.13522	84.8
324.13892	8.6
341.11008	60.7
515.14703	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	515.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70544	2.2
58.31904	1.8
59.01386	21.5
60.58765	2.0
61.98833	13.4
69.03430	2.2
69.92382	10.4
71.01389	22.3
72.99323	2.4
73.02956	3.4
75.00866	2.7
83.01398	3.7
85.02941	9.4
87.00887	2.7
89.02454	7.5
93.03475	5.8
94.12727	1.8
96.96008	14.8
99.00884	14.9
101.02447	10.2
108.02171	3.1
109.02956	16.4
111.00894	4.2
113.02435	5.7
117.37999	1.9
119.05028	3.6
123.04560	4.1
123.91882	2.2
124.01659	2.4
125.02463	3.8
131.03442	2.7
132.02110	2.1
133.02962	3.3
134.03752	5.9
135.04541	40.5
137.02414	2.8
145.02832	2.0
146.03716	5.9
147.04544	16.1
147.06616	2.3
148.04239	2.1
148.05254	10.2
149.02461	2.5
149.04564	4.5
149.06050	11.0
153.05522	2.3
155.03487	2.5
159.04517	5.2
160.01750	4.7
160.05289	20.7
161.02446	13.5
161.04578	3.9
161.06012	6.7
162.03235	17.7
162.06873	10.8
163.03976	7.6
163.07635	8.8
164.04758	2.7
165.05568	3.4
171.04594	2.9
172.05229	4.2
173.04512	12.0
173.06068	18.8
173.96075	2.2
174.03180	4.4
175.03963	9.7
175.07568	5.1
176.04776	8.4
177.05565	46.4
178.06303	6.2
179.03506	30.5
179.07115	3.3
184.05342	4.0
185.06114	4.8
187.03990	9.1
188.04822	27.8
189.05585	14.4
190.02713	8.0
190.06322	9.1
191.03558	2.4
191.05589	6.4
191.07137	4.7
192.04185	3.6
193.05081	3.3
193.08624	2.7
199.07661	2.7
201.05571	2.4
202.06375	11.8
203.03494	3.5
203.07187	15.7
204.04323	18.5
205.05049	14.1
205.08725	6.2
207.06628	9.1
214.06340	2.7
215.03511	4.2
216.04309	25.9
217.08699	36.9
218.02193	4.1
219.03166	3.0
219.06633	50.6
221.04570	9.0
221.08189	25.2
231.06628	48.8
232.19539	2.4
233.04657	13.1
235.06059	20.3
249.07706	38.7
251.05571	23.2
261.07642	4.8
265.07059	4.8
273.07703	5.8
291.08786	12.9
293.06677	62.1
294.07187	2.9
309.09836	9.6
311.07776	10.4
323.17154	16.6
341.08661	19.5
353.08789	100.0
353.13141	5.1
354.09036	5.6
393.11890	4.0
413.10992	2.9
417.62601	2.2
455.21353	25.2
515.13263	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	514.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
61.98835	100.0
64.01591	0.1
68.66882	0.1
71.01384	0.3
71.26704	0.1
71.54560	0.2
73.02946	0.2
82.95431	0.2
89.02447	0.2
94.94595	0.1
96.75468	0.1
96.96011	0.2
101.02441	0.2
111.87143	0.1
113.02462	0.2
134.75522	0.1
149.04535	0.2
149.06126	0.3
160.01735	0.2
236.71492	0.2
339.13031	0.4
409.92184	0.1
447.85422	0.1
454.33929	0.4
514.32825	0.2
515.17572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	5.4
59.01382	94.7
59.57243	4.3
59.57565	3.7
70.36768	5.5
70.37106	8.1
71.01382	63.9
71.94519	4.4
72.99323	4.4
73.02960	6.0
75.00883	4.4
83.01395	9.4
85.02947	35.0
87.00879	15.5
89.02445	68.2
90.98481	4.1
93.03489	5.4
95.01402	5.4
96.44955	3.9
99.00931	5.4
101.02453	32.9
111.00883	6.1
112.98814	5.5
113.02454	51.5
119.03493	18.6
129.01952	6.3
131.03513	4.3
142.99873	17.1
151.06137	13.3
165.32501	4.0
172.06136	9.3
173.00998	5.0
173.04570	18.0
179.05629	27.8
265.09296	9.2
323.13437	10.5
341.10876	100.0
437.74811	3.6
449.68607	3.7
473.14456	4.3
515.15991	65.8
516.16388	5.9
518.02380	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	513.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
57.03449	0.2
58.00601	0.2
59.01384	6.5
60.01726	0.1
61.98532	0.1
62.29585	0.1
65.92200	0.1
69.03477	0.1
69.76364	0.5
71.01389	5.0
72.99319	0.2
73.02956	1.0
75.00920	0.1
77.66424	0.1
78.56946	0.1
83.01391	0.6
83.05028	0.2
85.02953	1.1
87.00883	0.6
87.04530	0.1
88.99842	0.1
89.02453	3.3
89.48133	0.1
91.03995	0.2
95.01398	0.5
97.02946	0.2
97.06569	0.1
98.20634	0.2
99.00900	0.4
101.02451	4.6
101.79739	0.1
103.04050	0.1
113.02461	2.0
119.03526	1.1
125.02480	0.2
127.07661	0.2
128.51190	0.1
131.03505	0.2
133.05077	0.5
143.03575	0.5
145.05035	0.1
147.04359	0.1
149.04614	0.1
157.05052	0.2
161.04590	1.6
175.54912	0.1
179.05664	0.4
233.22801	0.5
234.63361	0.1
235.08186	1.2
253.09300	15.5
254.09686	0.4
259.20810	0.5
261.18854	0.1
275.20184	0.4
277.21729	100.0
278.22079	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	513.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01912	1.4
57.03453	80.6
59.01385	100.0
61.98818	1.8
65.05422	1.0
69.03473	2.6
69.25575	9.9
71.01387	38.2
72.99313	5.9
73.02557	2.1
73.02952	33.7
74.75835	1.1
75.00858	1.6
76.04762	1.3
81.03456	3.5
82.01612	1.2
83.01399	9.5
85.02972	8.1
85.03389	1.3
87.00863	1.8
89.02460	15.5
95.01399	2.2
95.05028	1.4
96.96033	1.3
97.02944	1.6
97.06572	2.3
98.20623	1.8
99.00850	2.1
99.04527	71.6
99.92558	1.3
100.04850	1.5
101.02451	53.9
102.02769	1.3
103.00338	3.6
113.02458	24.7
113.06098	4.0
113.31715	1.2
116.92893	1.2
118.92635	1.5
119.03489	8.8
119.05021	2.5
120.05370	1.3
123.04537	21.9
125.02462	33.1
131.03493	4.1
141.05566	3.9
143.03491	6.0
146.99382	1.4
149.04576	6.4
149.05620	1.2
153.05545	3.9
155.03493	1.3
161.04590	10.9
163.03993	3.4
164.04279	1.6
175.07619	1.7
179.05582	2.7
215.07040	1.5
221.06767	1.8
231.06580	1.8
250.12097	1.5
255.60466	1.4
299.35419	1.2
444.75555	1.3
453.24963	1.8
471.25891	2.0
481.16858	2.0
495.19257	2.7
513.19122	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38512	0.3
55.01876	0.5
59.01386	100.0
60.01729	0.6
60.56004	0.3
61.98837	1.0
63.45227	0.3
69.52394	0.8
69.52813	1.8
70.70569	0.3
71.01392	4.4
73.02951	3.4
83.01426	1.3
85.02982	1.5
86.64694	0.4
88.97442	0.4
89.02473	0.8
95.01392	0.4
96.96023	5.1
99.00892	0.5
99.04567	0.4
101.02469	2.9
113.02483	1.7
127.11297	0.4
167.14455	0.6
169.08498	0.3
171.10312	0.4
174.15961	0.4
209.11905	0.5
238.91780	0.3
291.19641	2.8
351.18942	0.4
369.26447	0.8
402.15536	0.4
423.22357	0.5
451.21619	0.6
471.26401	0.5
495.19955	0.6
495.26923	0.6
513.30725	8.0
514.31238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99341	0.1
55.01888	0.3
57.03458	0.1
58.00590	0.3
59.01384	6.6
69.03468	0.1
71.01388	5.3
71.55059	0.1
71.55461	0.1
72.99325	0.3
73.02954	1.0
75.00845	0.1
81.03453	0.1
83.01397	0.7
83.05037	0.1
85.02956	1.4
87.00880	0.6
87.04488	0.1
89.02453	4.0
91.04042	0.2
91.58810	0.1
95.01411	0.4
96.96047	0.1
97.02982	0.2
99.00893	0.3
101.02455	4.8
103.04030	0.2
107.36761	0.1
113.02464	2.4
113.06081	0.1
115.03999	0.1
119.03503	1.2
125.02462	0.2
127.07677	0.3
127.62125	0.1
129.02031	0.1
131.03528	0.2
133.05077	0.4
143.03519	0.4
145.05035	0.1
149.04572	0.1
157.05052	0.2
161.04576	1.7
179.05644	0.8
205.19682	0.1
219.06297	0.1
233.22809	0.4
235.08243	1.0
253.09308	15.9
254.09709	0.5
259.20670	0.4
275.20108	0.3
277.21738	100.0
278.22086	6.6
307.12503	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	513.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
58.00613	0.5
59.01384	17.1
63.47752	0.5
67.01906	1.1
68.99818	1.4
69.03448	1.4
69.14913	0.5
71.01386	15.8
72.94185	0.5
72.99311	4.6
73.02952	2.4
75.00881	13.2
81.03471	0.7
82.48867	0.4
83.01402	1.0
83.05018	0.5
85.02957	16.5
87.00882	8.3
89.02452	4.0
91.04039	1.0
93.03467	0.6
95.01389	4.3
96.96021	0.6
97.02954	0.7
98.19878	1.1
99.00887	7.8
99.04485	0.6
101.02451	1.7
103.00375	2.0
105.01971	2.6
109.02962	1.4
109.06571	0.5
111.00911	0.8
111.04501	1.1
113.02462	20.7
115.00384	1.4
117.01991	2.2
121.02913	0.4
121.06588	0.5
122.03671	0.4
123.15383	0.4
125.02455	0.5
125.06090	1.7
129.01935	1.4
135.04552	0.5
135.08173	0.7
136.05322	1.2
137.02382	0.6
139.07648	1.9
145.06519	0.5
147.03078	0.5
148.05322	0.9
149.04541	0.9
151.07643	1.3
152.08437	0.7
157.01413	0.9
161.09743	0.8
163.07623	0.7
165.04056	10.2
175.02473	1.5
185.09753	0.9
189.04005	0.5
189.09258	0.8
201.12860	6.4
203.10858	3.4
204.11571	10.3
207.05148	0.6
219.13922	14.7
223.04660	0.7
230.09485	0.8
231.05130	1.7
245.11861	2.0
249.06171	25.2
250.06543	1.1
263.12878	6.7
267.07230	23.2
268.07574	1.1
278.74792	0.5
362.88367	0.5
405.59668	0.5
513.19800	100.0
514.20123	10.3
516.07123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
56.56113	0.6
57.03449	2.6
59.01387	31.9
67.01901	1.1
68.99821	1.0
69.03463	1.7
69.17474	6.3
69.17872	1.4
69.24777	0.6
71.01009	1.3
71.01389	18.9
72.99307	4.2
73.02959	6.2
75.00881	12.7
75.32462	0.6
81.03494	1.2
83.01394	2.8
84.02165	0.6
85.02959	15.7
87.00889	6.8
89.02446	5.3
90.05868	0.6
91.04047	0.9
93.03455	1.5
95.01399	3.7
96.96007	1.0
97.02987	1.2
98.19908	0.9
99.00893	7.0
101.02460	5.3
103.00387	1.7
109.02979	1.8
111.04537	1.3
113.02460	19.8
115.00374	1.3
117.01942	2.2
119.03497	0.6
121.02916	0.7
121.88124	0.6
122.03758	0.6
123.08080	0.7
125.02448	0.7
125.06129	2.6
125.45340	0.6
129.01964	1.7
131.03578	0.7
135.08189	0.7
136.05307	1.8
138.06873	1.7
139.07671	2.0
142.73125	0.6
148.05284	0.8
149.04500	0.6
151.07687	6.0
152.08414	1.7
157.01392	1.0
159.11885	0.7
161.04617	1.5
163.07707	1.7
165.04066	3.3
175.02464	1.7
185.09578	0.7
189.04024	0.7
189.05630	0.7
189.09213	0.6
201.12869	5.1
203.10765	2.3
204.11560	6.3
205.05157	0.6
219.13898	12.1
220.14279	1.2
223.04776	1.1
230.09546	1.0
231.05090	1.1
245.11847	2.9
249.06178	26.9
256.27133	0.7
263.12881	3.4
267.07227	22.8
309.20602	1.1
495.19220	1.1
513.19843	100.0
514.20020	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	513.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80611	1.9
54.42593	1.7
55.74234	1.4
57.20171	1.6
57.21941	1.7
57.55459	1.7
59.01382	12.0
61.03983	1.8
61.98839	9.3
71.01389	9.8
71.54192	2.4
73.02941	2.0
85.02961	4.3
88.98802	3.0
89.02452	9.6
96.95448	1.6
96.95985	8.4
101.02477	4.6
113.02439	3.8
115.42490	1.8
123.04536	37.0
133.04991	1.8
135.07803	1.7
149.04562	3.0
153.05591	100.0
154.05910	1.9
161.04552	2.3
175.02481	1.7
212.10385	1.9
288.06268	2.4
303.08655	3.4
315.10898	89.7
316.11221	3.1
513.13538	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	513.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10956	1.6
59.01115	2.6
59.01383	34.3
61.98822	7.9
62.14815	1.7
66.16188	1.6
67.01902	2.2
68.57661	1.5
68.99810	2.3
69.78171	8.6
71.01019	2.4
71.01389	38.1
72.99308	8.8
73.02941	7.3
75.00880	15.4
83.01382	4.3
85.02958	41.7
87.00883	16.3
87.04501	2.1
89.02452	44.7
95.01384	5.9
96.96004	5.5
99.00903	11.2
99.87334	1.5
101.02452	27.5
101.06079	2.8
103.00359	2.5
103.03410	2.0
103.04026	26.3
111.00887	2.1
111.04552	1.8
113.02460	34.8
115.67957	1.9
117.01936	3.3
119.03497	3.8
125.02398	2.4
127.04010	1.9
129.01938	2.7
131.03511	2.3
133.04115	3.4
133.05083	51.0
147.06650	76.6
149.04503	4.2
151.04019	2.1
161.04530	2.4
163.06052	3.1
168.20549	1.7
175.02440	4.8
193.03539	15.4
195.06604	1.9
197.86813	1.8
214.98659	1.9
231.05099	5.1
233.06624	3.8
249.06174	50.8
249.09993	3.8
267.07159	1.9
321.08105	2.4
321.15277	2.3
361.66028	1.9
365.10855	14.2
379.12350	6.2
381.13931	7.4
381.30664	2.0
383.11996	8.8
397.13672	11.7
435.18311	2.1
453.19635	7.3
469.15717	14.7
495.16132	2.5
513.18164	100.0
514.18475	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	511.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41708	0.5
57.03452	0.7
59.01387	3.0
61.09357	0.5
61.98820	1.0
69.43184	1.9
69.43587	1.6
70.69995	0.5
71.01366	0.8
73.02958	0.5
80.02683	1.8
81.03462	2.0
83.05036	6.6
84.02169	1.4
93.03462	1.6
95.05027	1.2
97.06590	1.2
98.18520	0.6
98.40739	0.4
109.06587	1.3
110.52500	0.4
111.04533	0.6
121.06561	0.4
123.08152	1.0
125.09708	3.4
135.08173	1.4
137.73978	0.5
137.76466	0.5
147.11746	0.6
149.09732	0.9
150.92467	0.5
163.11327	4.5
165.12868	3.2
171.10289	31.6
172.10574	1.0
175.04143	0.6
179.07114	0.8
181.12354	1.4
183.13875	0.5
185.11832	2.0
191.10805	1.1
193.05247	0.6
205.12421	0.5
207.10272	0.8
209.11853	100.0
210.10451	0.7
210.12213	4.2
211.13550	0.7
221.11864	1.6
221.15414	0.6
223.13405	2.4
224.08057	0.7
227.12923	9.0
227.15128	0.7
229.12311	0.7
231.13977	0.8
237.14883	0.6
247.13437	10.9
248.13899	0.6
249.15086	0.8
265.14655	3.3
296.03320	4.4
328.05499	0.6
332.09579	0.5
357.20679	0.8
375.21753	1.6
375.25818	1.0
382.20892	0.7
393.26672	0.6
401.23535	1.5
408.18954	1.1
409.25711	0.6
419.24484	1.1
426.19995	3.9
431.24298	1.1
445.03629	0.6
448.09711	0.7
449.25345	3.4
457.26355	0.7
475.27130	4.0
493.28256	1.5
511.19882	0.8
511.29092	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25213	1.2
69.39665	9.0
76.43654	1.2
79.14733	1.1
79.95721	2.0
96.96019	64.5
99.92569	1.4
135.04523	1.6
137.10762	1.3
179.08698	1.9
205.81650	1.4
207.13754	1.2
211.07623	1.5
223.07663	23.3
224.08264	5.9
225.09235	2.7
235.07584	2.2
245.09717	1.7
251.07103	1.7
263.07050	1.3
264.07980	3.2
277.12091	1.6
303.10385	8.2
304.11133	8.8
347.16248	2.4
347.20172	24.9
348.20538	1.6
373.18066	19.7
374.18304	2.4
391.19193	100.0
392.19724	9.5
451.13940	1.5
475.11621	5.0
511.13971	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	510.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.8
61.98839	8.1
65.00362	0.8
69.23874	6.0
69.24275	1.7
75.00870	1.1
83.01392	1.0
98.19936	1.4
133.02950	2.2
134.03728	0.8
151.00375	2.4
152.73203	0.7
153.47403	0.7
156.00623	0.7
175.04034	1.4
199.04138	0.9
227.03502	0.9
256.03809	3.1
284.03275	47.5
285.04068	98.4
286.04416	6.8
327.04974	1.0
361.18600	1.2
447.09354	100.0
448.09613	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	510.907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14941	0.5
56.67429	0.5
59.01373	2.5
60.60381	0.5
69.91772	2.6
75.34266	0.5
78.95898	1.7
84.36297	0.6
87.93492	0.5
93.69400	0.5
96.96008	2.5
102.72382	0.6
108.00918	0.5
149.79002	0.5
150.93913	0.6
152.91774	38.2
167.90453	3.3
174.99281	0.9
194.92819	64.2
195.93016	0.8
212.93996	3.2
214.80984	0.6
217.00368	2.6
218.00566	0.7
226.88562	13.2
268.89627	18.6
296.89175	0.7
308.03992	0.5
308.92661	0.8
310.90704	40.9
343.05142	0.5
352.91736	100.0
353.92230	2.8
368.79349	0.8
408.76843	1.0
439.74271	2.3
440.73584	0.6
448.74622	2.8
449.74420	0.7
457.75089	1.2
488.83209	0.8
510.75555	0.8
510.90707	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	511.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84039	2.0
59.01380	17.4
69.44131	10.4
69.44556	6.8
71.01381	5.8
83.01373	2.5
83.05029	6.1
85.02962	5.2
89.02459	3.2
93.03450	2.4
96.96019	2.6
101.02455	4.0
109.06590	2.7
113.02455	2.6
121.06653	2.7
122.99448	2.0
125.09685	3.9
137.59276	1.9
144.33957	2.6
146.03743	4.6
163.11299	5.9
165.12776	2.6
167.03731	1.9
171.10263	21.6
175.07631	2.4
179.07120	7.8
185.11861	3.4
193.05052	4.0
195.04472	3.2
209.11836	100.0
227.12917	8.5
233.57184	2.6
239.03535	4.6
247.13341	8.8
265.14496	3.8
267.03009	2.4
283.06277	3.1
285.03922	3.1
286.04364	3.6
290.43109	2.3
296.03275	98.4
297.03790	7.3
327.21951	2.2
331.22839	3.0
340.71243	2.1
426.19861	3.6
426.54712	2.4
475.10400	4.8
497.34528	2.2
511.19522	3.7
511.27780	3.3
515.96423	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	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
59.88415	0.6
61.98839	6.3
62.66793	0.6
63.46511	0.8
68.96637	0.6
71.01385	2.4
73.02944	1.0
73.74686	0.6
75.00856	1.9
79.06993	0.6
83.01385	0.8
85.02943	0.9
89.02444	1.3
93.03457	0.6
97.02940	0.9
98.20702	1.2
99.00889	0.6
101.02461	1.7
109.02935	1.4
113.02480	1.1
119.05009	1.3
121.02917	0.9
125.02419	1.1
126.94012	0.6
133.02968	9.1
134.03738	0.6
134.55255	0.7
135.04451	1.4
147.04536	1.4
149.02483	1.8
149.04567	1.6
160.01624	1.1
161.02396	1.6
163.00400	2.3
163.03995	3.9
165.01915	2.1
175.04054	3.6
176.04228	0.8
177.01930	1.4
191.03560	1.5
193.01419	1.7
193.05032	0.9
201.01897	1.6
213.05652	0.7
224.10219	0.8
225.05501	0.8
229.01520	0.8
240.04379	0.8
241.05020	0.9
253.05055	1.3
255.02888	1.2
269.04596	1.1
284.03268	9.1
285.03940	6.9
297.04059	15.0
298.04773	8.9
299.05576	17.5
309.04050	1.0
311.05649	2.1
325.03357	0.7
327.05096	100.0
328.05408	8.3
339.05057	3.3
341.06430	0.9
357.01709	1.3
357.06158	24.3
358.06622	1.3
369.06113	2.4
377.18121	0.9
393.06042	1.5
394.65640	0.8
447.09323	80.6
448.09668	6.9
474.16907	1.3
509.29620	1.5
510.16669	0.7
510.30200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2543
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
57.03435	0.9
59.01377	1.7
60.20466	0.9
71.54936	1.0
71.55277	1.0
79.05534	3.9
80.54930	0.8
81.19667	0.8
91.70955	0.8
95.01389	1.2
96.96002	0.9
99.92590	12.3
107.05042	23.5
108.02180	1.1
115.92099	7.0
116.92875	86.4
117.92881	2.7
121.02940	1.3
129.07054	0.8
131.08698	1.5
133.06604	1.0
135.04524	0.9
136.01691	6.0
148.01665	1.1
149.02473	1.3
157.06598	12.8
159.04573	5.8
160.05287	2.1
161.02492	1.1
163.07655	1.5
173.06084	1.6
175.04030	2.5
175.07660	35.5
176.07983	2.1
179.03491	1.3
187.07637	1.6
189.05617	1.4
190.06348	1.5
191.05510	1.3
191.07161	15.7
192.07581	1.0
201.05595	25.1
202.06053	2.4
203.03430	1.5
203.07072	1.1
213.09332	1.3
217.08696	2.0
217.96501	0.9
219.06638	100.0
220.06987	4.3
223.07639	1.6
225.09181	1.7
241.08894	1.1
269.08200	1.2
271.17105	1.3
273.18826	1.2
293.11652	1.1
307.19202	4.0
309.11276	1.4
317.17572	3.4
326.02460	1.4
327.04721	0.9
341.01215	2.3
351.55438	0.9
352.00558	1.3
353.01202	5.4
385.00143	2.0
389.17468	1.0
393.24414	5.1
407.18634	2.1
409.20496	1.1
421.27246	2.3
447.25381	2.9
461.10641	1.5
465.13614	4.5
465.20203	1.1
465.26370	4.4
473.10812	6.5
491.11691	5.1
491.24271	1.0
492.12204	1.2
509.12891	3.5
509.25455	61.7
510.25818	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	509.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.0
57.03452	6.6
58.00593	1.6
59.01385	43.0
61.98835	3.9
68.99844	2.2
69.03459	2.2
71.01392	27.5
71.91437	0.9
72.99315	11.7
73.02953	27.2
75.00877	29.7
80.02702	1.9
80.05068	1.9
81.03447	1.7
83.01400	3.3
83.05043	6.9
84.02171	2.0
85.02960	30.6
87.00883	15.2
89.02445	12.6
91.03991	1.3
95.01396	7.6
97.02989	1.2
99.00896	13.7
101.02454	8.9
103.00384	3.6
109.02940	1.2
113.02457	33.6
115.00381	3.6
117.01955	2.2
119.03542	1.3
124.04002	1.4
129.01938	3.6
135.02986	5.5
137.09846	1.2
139.00375	1.7
149.04597	1.1
161.04582	1.3
163.11319	4.7
164.07121	1.3
165.12842	2.9
167.03502	1.4
167.10822	1.4
173.11819	1.5
175.02484	4.6
179.05612	1.8
181.12415	1.5
196.50006	1.0
205.07254	1.2
209.11845	75.3
210.12213	4.3
227.12930	6.6
249.06189	6.2
255.11301	1.2
267.07230	7.9
274.96542	1.3
284.03247	5.4
285.04108	12.7
317.16071	1.5
317.23257	2.5
319.33432	1.2
329.11343	1.9
335.17029	2.5
361.18680	1.8
361.22635	1.6
377.18030	7.7
391.27017	26.2
392.27289	3.1
417.17346	1.3
447.09274	13.3
449.20529	1.6
449.27325	2.3
459.18979	3.0
477.19803	100.0
478.20206	8.8
509.14423	7.7
509.22375	62.0
509.29935	16.6
510.15729	1.7
510.22580	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	509.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03452	5.9
59.01386	40.8
61.25654	1.3
61.98827	1.9
67.01904	1.4
69.03432	1.2
71.01387	24.8
71.55025	1.4
72.99318	8.2
73.02952	28.6
75.00882	27.3
80.02675	1.3
81.03497	1.9
83.01384	4.2
83.05027	6.0
84.02187	3.3
85.02959	26.0
87.00879	10.9
89.02453	9.5
95.01403	5.1
95.05017	1.4
99.00883	11.1
101.02448	6.3
103.00343	3.5
107.84116	1.2
110.13976	1.3
111.00919	2.7
113.02455	32.4
115.00327	2.4
117.01933	2.8
119.03484	1.8
125.09722	1.8
129.01913	3.3
131.03503	1.6
133.98863	1.4
135.03008	4.5
149.04486	2.8
155.10788	1.7
161.04535	3.4
163.11299	4.0
165.12817	4.4
167.81839	1.1
173.11821	1.9
175.02457	5.1
175.03874	1.6
179.05617	2.4
191.10728	1.5
205.07101	1.8
209.11841	70.3
210.12204	4.1
223.08850	1.2
227.12868	6.7
249.06154	5.5
267.07230	6.2
284.03207	5.8
285.04071	13.0
317.16251	1.6
317.23260	2.5
335.17075	4.8
361.18613	1.8
377.18195	9.6
387.20331	1.3
391.27063	24.1
392.26926	1.8
447.09326	17.1
449.20822	1.2
449.27408	4.1
459.18674	2.9
477.19794	100.0
478.19913	9.6
509.14230	6.7
509.22308	58.8
509.29834	19.0
510.22806	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	509.216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51132	1.2
52.83920	1.5
55.30096	1.3
59.01373	4.9
61.00453	1.4
61.98826	2.5
67.68905	1.4
71.01357	1.5
71.55155	2.7
73.02943	2.1
82.95429	3.3
83.05035	2.2
86.29207	1.5
87.04536	1.5
93.03498	1.6
96.37400	1.4
96.96025	1.9
107.05042	3.1
110.04484	1.6
131.01833	1.4
135.04564	8.5
153.01910	1.9
171.10298	1.5
175.07591	2.3
180.75919	1.4
201.11339	2.1
207.10262	3.6
209.11816	5.0
213.09224	3.9
225.09149	5.3
225.11188	2.1
226.09924	5.1
241.12103	1.6
277.15985	1.8
285.04245	1.8
295.17072	9.5
298.04660	4.0
307.16934	2.2
313.83810	1.5
329.23489	1.6
344.94058	1.7
365.21152	1.9
373.16595	2.4
383.22263	9.1
389.23569	1.8
409.20193	34.7
410.20807	1.9
425.19647	1.9
427.21252	100.0
428.21561	8.2
447.09265	4.7
449.18271	6.1
465.26434	6.8
509.25592	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	509.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73540	2.7
56.70660	2.2
59.01372	3.7
61.98839	8.2
65.00304	2.7
65.03970	4.1
67.01915	3.0
71.50549	4.9
81.03471	6.6
83.05044	4.4
95.01406	11.0
99.92588	6.5
107.01394	4.1
107.05053	7.2
108.02203	19.7
109.02951	4.8
115.92128	4.0
116.92873	29.0
121.02958	3.9
123.00911	35.9
123.04510	15.4
135.00880	3.8
135.04619	2.6
136.01633	6.4
137.02452	14.6
138.03223	15.9
142.60620	2.4
149.06081	2.8
149.09792	2.9
150.03235	2.8
150.26605	2.4
150.30261	2.3
151.00392	7.4
153.01933	3.9
153.05556	6.1
157.06621	4.1
159.04504	3.1
163.03992	4.5
164.01076	3.1
165.01950	29.2
165.05588	9.1
166.02704	4.3
166.99889	20.4
167.03519	36.4
173.06020	3.5
175.04115	3.4
175.07678	13.0
180.04301	43.0
181.01419	10.4
182.02225	30.9
189.05580	8.5
191.07275	4.2
193.01434	3.6
195.06656	36.4
197.04559	46.3
197.06102	5.5
197.35284	2.9
201.05583	14.2
203.07167	3.3
204.54138	2.7
208.03738	3.1
215.07155	5.5
217.05122	6.4
218.05258	2.5
219.06638	56.7
225.09195	5.4
227.07121	8.8
243.10342	5.8
254.06152	2.4
255.13905	5.7
273.14996	100.0
274.15286	8.7
280.34412	2.5
285.15088	7.3
299.09235	3.0
299.12674	3.5
303.16052	74.2
304.16583	4.0
307.27914	3.2
311.12842	6.4
313.14423	2.8
314.15228	5.1
329.13971	4.6
329.17685	4.9
341.17548	2.9
343.08276	7.6
344.16208	5.7
359.18835	14.5
404.03497	3.8
407.18674	5.0
425.12289	4.1
425.19495	5.8
427.13120	7.5
447.09094	5.1
461.19901	3.2
473.10715	9.2
479.20642	2.9
491.11719	8.4
509.12833	5.1
509.25293	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20082	2.0
55.92548	2.0
59.01385	100.0
61.98831	3.4
65.50228	2.0
69.23907	14.5
69.24315	5.2
71.01393	21.2
72.99295	3.2
73.02946	13.2
75.00874	12.2
83.01386	4.2
85.02956	7.8
87.00877	5.3
89.02450	11.1
95.01425	2.9
96.96027	5.6
99.00942	3.1
101.02459	14.3
113.02454	9.9
119.03505	2.6
133.02988	3.4
135.03017	2.7
149.04581	5.8
155.10695	3.1
161.04477	3.1
199.13422	2.7
201.11276	5.1
203.10703	2.6
243.12260	2.3
253.04744	5.3
271.05603	5.4
361.18588	24.0
361.22415	11.4
362.19025	2.4
377.17966	4.6
387.20209	2.5
391.26974	23.4
402.04340	2.2
429.21420	2.7
449.07092	4.3
449.27359	3.2
464.47687	2.8
509.22385	13.3
509.29672	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	509.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.7
60.66066	1.2
67.74149	1.5
71.01392	4.4
71.15784	1.2
89.02449	7.4
96.96019	11.3
101.02478	2.0
109.02967	100.0
110.03307	2.8
113.02451	2.5
119.03534	2.6
125.02444	3.4
137.06116	3.6
143.03453	1.4
149.04584	1.9
153.05635	6.3
161.04663	1.5
177.05550	1.7
179.05630	4.1
183.06564	1.3
184.92578	1.1
189.05585	2.0
201.09250	1.4
245.08144	2.4
275.09146	1.4
311.11295	1.7
315.10840	1.4
335.11542	6.7
365.91165	1.4
455.15802	6.3
457.46378	1.5
473.16714	52.8
474.17007	3.9
509.14230	46.1
510.14755	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	509.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79369	1.0
55.01868	1.9
56.02554	0.9
57.03447	7.6
58.00584	1.1
59.01386	100.0
59.95508	0.9
61.98822	2.9
64.07962	0.9
71.01389	20.4
71.05014	1.1
71.09211	1.0
71.55339	1.4
72.99296	3.5
73.02953	17.6
74.45892	0.9
75.00875	17.2
81.01336	0.9
81.03447	1.2
83.01382	3.8
83.05030	2.2
85.02946	6.3
87.00881	3.0
87.04498	1.9
89.02463	10.7
95.01379	2.1
95.05025	0.9
96.96034	3.1
97.06594	4.1
99.00887	1.8
101.02458	15.8
105.03474	1.2
113.02475	7.3
113.05978	1.1
113.09723	1.5
115.00375	1.2
115.07634	1.5
118.52794	1.0
119.03506	2.8
125.09720	1.2
131.03503	2.0
133.02982	5.8
134.03705	1.3
135.02991	2.8
139.07666	3.1
139.11282	1.8
143.03572	1.4
147.03026	1.1
149.04565	5.5
151.00439	1.2
152.07144	1.4
155.10808	2.3
157.08684	4.0
161.04558	3.2
169.12354	2.1
175.02507	1.7
175.03932	1.3
176.07089	1.0
177.01906	2.8
181.12259	1.8
187.13431	3.0
189.12862	1.9
199.13354	3.7
201.11296	3.4
203.10709	2.8
209.11955	1.1
215.12793	1.6
225.05261	1.1
229.14360	1.2
243.12448	1.3
251.41829	1.1
253.04660	2.8
258.01508	1.1
259.15585	1.5
271.05493	1.3
286.01251	3.2
287.01929	2.2
287.16589	1.6
289.87390	1.0
290.00845	1.5
315.01413	2.2
356.22641	1.1
361.14987	1.7
361.18643	35.4
361.22397	4.4
362.18906	1.6
373.25912	4.4
375.23914	1.8
377.18036	6.1
377.21951	1.6
387.20187	2.6
389.25592	5.5
391.27045	88.2
392.27429	6.5
415.26956	2.4
429.21271	2.7
449.07208	4.6
449.27560	2.4
466.20193	1.5
509.14816	1.9
509.22333	13.2
509.29639	53.8
510.23038	1.5
510.30133	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	509.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54825	0.6
72.69180	0.7
93.52977	0.7
95.01357	0.8
96.96046	1.1
99.92595	24.0
100.92642	1.3
100.93376	1.1
107.05067	1.3
108.02184	2.8
109.03004	0.8
114.95693	0.6
115.92094	12.7
116.92873	100.0
117.92868	3.0
117.93639	1.1
121.02940	0.8
123.00877	2.5
123.04541	2.4
135.04555	0.7
137.02457	1.5
151.00426	1.1
157.06635	1.4
166.99825	1.2
167.03513	3.3
175.07706	1.7
181.01463	0.9
182.02245	2.1
185.06111	1.0
193.01340	0.8
197.04518	2.0
197.06110	1.0
201.05634	1.9
215.07124	0.9
218.53058	0.7
219.06622	5.3
223.07765	0.8
225.09291	2.3
227.07092	1.2
232.95547	1.2
233.96548	0.8
235.07726	1.7
237.09290	1.9
263.07315	0.9
273.15009	4.3
275.10913	1.5
275.14368	0.8
281.08267	0.9
284.98621	0.9
293.15451	3.1
303.15970	7.4
304.93976	1.4
318.12650	0.9
320.01428	2.2
324.01102	5.2
325.01508	1.6
336.01071	2.0
344.16473	1.2
355.04077	0.8
359.18546	1.0
362.06320	0.9
364.00467	14.7
365.00787	2.1
366.02036	1.0
367.99924	1.1
375.03223	1.3
376.03912	1.4
377.04691	0.9
379.06509	2.6
389.17651	5.3
390.02069	1.4
391.02344	1.0
391.06662	1.8
391.19296	1.3
393.04453	1.5
403.06555	4.7
405.04266	3.7
406.05124	2.1
407.18719	6.2
408.18909	0.8
409.20258	2.9
418.04968	1.0
423.05789	1.6
435.05460	5.0
443.09695	3.4
447.12762	2.6
455.09537	1.1
461.10724	1.5
465.26746	0.9
469.07620	1.6
473.10614	37.1
474.11121	7.5
475.08484	0.8
487.08603	12.3
488.08914	1.8
491.11807	12.3
492.12216	1.6
494.19568	0.8
505.09726	3.6
509.12738	8.6
509.25906	2.8
510.13223	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	509.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.98830	1.5
63.52645	0.8
69.56931	5.1
78.15665	0.8
89.55302	0.8
96.96022	1.1
99.92596	24.1
100.92680	1.0
109.02962	0.8
115.92081	10.4
116.92873	100.0
117.92873	2.7
131.05048	1.2
135.49718	0.9
149.02452	1.3
161.02412	1.4
162.12070	0.8
163.04051	4.2
173.06061	1.2
175.07741	1.0
181.05052	2.6
201.05589	1.2
213.09229	1.7
219.06622	3.0
223.07690	1.6
225.09242	2.1
235.07635	1.1
237.09215	1.0
251.07300	0.9
263.10730	1.3
298.49637	0.9
299.97360	3.3
300.98065	3.2
303.13977	2.7
304.93854	1.7
308.01486	1.1
320.01483	2.2
324.00958	1.4
325.01718	1.4
335.00543	1.0
351.93332	1.0
364.00439	12.9
365.04788	1.0
378.05649	3.2
389.17545	7.7
391.02817	10.7
392.03296	5.1
404.03528	1.2
406.01703	1.0
407.18637	4.9
409.20068	2.8
424.02539	1.9
428.06827	1.3
429.04187	1.4
432.06586	3.0
443.09402	1.7
447.05405	3.3
447.12869	4.7
455.09848	1.3
461.10812	1.1
465.06146	1.1
469.07523	1.8
473.10635	47.5
474.11002	7.7
487.08276	1.6
491.11780	9.5
492.11874	1.8
506.09552	1.0
509.12695	8.8
509.25400	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64742	0.7
59.01379	7.2
62.74001	0.7
71.01387	3.7
71.55654	1.3
73.02974	1.3
78.69720	0.6
78.95911	2.2
79.95742	3.2
89.02444	2.9
90.26773	0.7
96.96021	100.0
96.97012	2.8
97.93142	0.8
101.02470	0.9
114.93422	6.8
122.03717	0.8
125.02427	1.1
148.05341	4.3
163.07652	4.3
213.09238	2.5
214.09546	2.0
234.06822	0.8
274.04092	0.7
294.09445	0.9
356.63953	0.7
375.27338	3.6
376.27823	13.7
377.21747	1.2
377.28119	3.1
402.33365	0.6
508.28168	1.1
509.32639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.5
70.69154	0.5
70.69497	1.0
74.20291	0.4
79.05534	1.0
99.92593	15.0
100.92587	0.6
100.93351	0.7
107.05040	4.6
115.70078	0.5
115.92101	7.6
116.92873	100.0
117.92905	3.5
117.93667	0.7
121.02908	0.4
135.04550	0.6
136.01665	0.9
137.02469	0.5
149.02486	0.9
150.03210	0.4
150.16260	0.4
151.00385	0.4
157.06642	2.2
159.04555	0.9
173.06085	1.0
175.03984	0.7
175.07655	8.3
177.02026	0.4
181.10265	0.6
187.04083	0.6
191.07108	3.0
199.64603	0.4
201.05576	4.8
202.39603	0.5
211.07611	0.8
213.09346	0.5
219.06633	15.2
223.07695	2.9
225.09189	2.9
226.09813	0.6
227.10785	0.9
234.97073	1.0
235.97951	0.5
239.07227	0.6
239.10838	0.8
241.08806	1.2
249.95749	0.7
253.08890	0.5
269.08209	2.8
270.08844	0.6
279.14194	0.4
280.64148	0.4
307.19257	0.7
308.01404	0.8
311.00262	0.5
317.17654	0.7
323.00177	1.2
323.12949	0.7
326.02695	1.5
341.01282	3.2
341.14078	1.2
342.01486	0.7
348.80597	0.4
349.33612	0.4
352.00638	1.9
353.01340	5.4
354.01819	0.6
366.99286	0.7
367.99948	1.5
370.01605	0.7
385.00269	2.0
389.17493	1.3
391.19128	1.0
393.24408	4.7
394.24789	0.6
407.18909	1.3
409.20386	0.9
447.12848	2.1
447.25717	0.6
448.12854	0.7
461.10272	0.9
465.13812	4.7
465.26584	3.1
466.13852	0.7
466.27325	0.5
473.10556	7.1
474.11063	0.9
491.11636	8.2
492.12216	1.2
505.10361	0.5
509.13141	5.1
509.24921	9.7
510.13147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01384	8.4
61.98840	3.6
69.68690	4.4
71.01384	6.2
72.99300	0.8
73.02952	1.9
78.95901	1.1
80.96539	2.3
85.02982	2.1
87.00883	0.9
87.04564	1.4
89.02457	2.1
91.37388	0.7
99.00889	1.0
101.02473	2.9
102.02791	0.8
102.03453	1.7
106.06649	1.0
107.51607	0.8
108.08200	5.1
113.02473	1.5
121.05305	4.7
122.06125	2.4
132.04558	8.2
134.06158	1.8
136.07693	100.0
137.08026	2.3
147.03215	1.3
150.05659	1.7
152.03459	0.9
153.04361	1.8
158.02489	2.7
160.04071	4.0
161.04648	2.0
162.05635	1.2
164.07123	0.8
172.04068	1.9
174.05618	1.7
176.03551	5.3
184.07782	0.9
190.05101	15.3
191.05760	1.2
202.05087	0.8
209.11903	0.7
211.12390	0.8
215.11806	1.8
223.08778	2.5
224.09538	2.9
239.11899	10.5
239.14165	1.2
240.10313	3.8
241.09984	0.9
251.11826	3.7
253.06166	3.0
253.09979	1.2
255.11440	1.6
265.06207	1.0
265.09802	2.4
267.07660	2.1
267.11227	0.7
268.08551	3.5
268.12122	0.9
269.04596	1.3
271.10510	0.9
279.07584	0.8
280.08734	1.1
281.09375	1.3
281.12885	1.2
283.10892	41.1
284.11142	2.8
295.10822	8.1
296.11646	2.7
298.04684	1.3
299.05444	1.5
307.11066	1.0
313.23801	1.2
314.24161	2.2
315.13519	1.1
325.11902	5.1
339.13513	4.5
359.28000	16.4
360.28372	31.3
361.28564	1.4
404.19919	2.5
430.17606	1.6
432.19296	43.7
433.19623	4.4
458.17123	2.1
464.21844	7.1
465.22223	1.1
476.18286	69.5
477.18567	9.2
507.35483	1.1
508.20892	36.8
508.31589	6.8
509.16910	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	508.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20471	0.8
58.49496	0.9
59.01373	1.4
61.98835	4.6
65.37690	0.9
69.74480	2.9
69.74908	1.9
70.41479	0.9
83.17445	0.9
89.49488	0.8
103.07075	1.0
107.05055	1.5
108.02194	4.7
109.02445	1.4
123.04543	3.2
135.04514	3.1
149.06018	2.1
167.03505	8.4
168.03848	3.6
171.89211	0.9
173.06055	1.8
188.15344	1.2
191.07289	1.0
219.06590	1.7
225.09218	58.8
226.09695	10.5
227.10468	1.0
235.06081	4.7
237.09222	6.4
238.09712	1.0
239.10724	7.1
240.11372	1.2
241.12378	2.3
272.10565	1.7
272.13895	0.9
279.13919	2.4
279.23322	2.5
280.23663	3.4
281.15442	5.4
282.28091	0.9
293.15298	1.7
296.17621	1.5
309.15097	1.9
309.18607	21.7
310.19092	2.9
350.21149	1.1
361.21637	3.3
379.22922	9.8
387.21832	4.5
388.22293	9.4
407.35065	1.1
423.21793	100.0
424.22122	9.4
508.19485	7.0
508.27795	21.8
509.25974	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	507.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30820	0.5
55.01881	5.2
57.03452	3.8
58.00596	0.7
59.01388	19.1
61.98833	0.9
64.94326	0.5
66.02566	0.4
69.03466	1.0
69.26888	3.1
69.27312	1.0
71.01389	28.1
72.99325	1.7
73.02953	12.9
75.00891	1.8
83.01395	7.9
85.02957	16.3
86.00124	0.8
87.00887	2.3
89.02469	2.0
92.55540	0.4
93.03500	1.5
95.01398	2.3
96.96100	0.6
97.02962	1.1
99.00903	5.6
101.02454	24.4
111.00891	4.2
113.02464	10.8
113.18507	0.4
119.03599	0.5
125.02520	1.0
129.01970	1.6
134.03799	1.3
141.01924	0.5
143.03564	0.8
147.03038	1.8
159.03027	3.8
161.02477	0.5
161.04602	6.6
169.06699	0.5
169.15787	0.5
175.03972	0.8
178.02776	0.5
209.08318	0.6
211.04028	0.7
213.05606	1.3
213.18584	2.5
227.03648	0.6
255.03061	1.7
265.57416	0.8
283.02509	3.9
284.03326	1.4
297.04114	2.4
298.04855	6.2
299.05609	1.5
299.26019	2.1
313.23892	1.7
341.27029	1.1
345.30093	8.0
359.28040	35.1
360.28369	3.3
375.27643	0.6
398.01349	0.5
507.35629	100.0
508.35974	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.7
57.03454	6.9
58.00588	2.3
59.01386	61.8
60.01697	0.9
61.98833	1.8
69.03458	1.4
71.01389	72.3
71.05035	0.6
72.01731	1.6
72.99317	4.3
73.02953	22.0
75.00870	1.5
79.63037	0.7
83.01398	9.7
83.05034	1.9
84.02168	0.7
85.02960	31.3
87.00893	5.2
88.11806	0.6
89.02454	26.4
95.01398	6.3
97.02950	1.9
97.06590	0.7
98.19913	1.2
99.00899	9.3
99.04525	1.1
101.02455	53.3
102.02831	1.0
111.00884	2.0
113.02464	30.8
114.02752	1.2
115.03986	0.7
119.03513	11.9
123.04441	0.8
125.02460	2.3
127.11315	1.2
129.01959	1.8
131.03510	1.9
136.07678	1.3
137.02434	1.8
138.03281	0.7
143.03516	4.4
153.05583	1.0
159.03001	6.3
161.02498	1.4
161.04573	25.3
162.04991	0.8
179.03717	0.8
179.05635	3.2
194.05878	0.7
205.03546	1.1
213.18578	2.0
282.05353	1.4
283.06079	0.7
283.20657	4.0
297.04013	2.2
298.04840	1.8
299.25952	1.5
303.12271	0.9
327.04843	0.7
327.19687	1.7
345.30121	23.2
346.30417	1.5
359.24011	0.6
359.28061	4.1
375.18292	0.7
419.18509	1.1
425.19708	0.7
431.17993	1.1
463.17130	0.9
480.87457	0.6
507.23154	2.5
507.35413	100.0
508.35730	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.2
57.03453	3.6
58.00608	0.7
59.01386	15.4
61.98848	0.4
68.99834	0.4
69.03465	0.8
71.01387	30.8
71.09008	0.3
72.01719	0.2
72.99314	1.4
73.02952	12.0
74.03300	0.2
75.00884	0.8
76.68677	0.1
78.95923	0.2
83.01394	7.5
84.01688	0.2
84.02165	0.2
85.02957	18.0
85.06601	0.4
86.00112	0.9
86.03269	0.3
87.00889	1.8
89.02454	2.3
95.01394	3.1
96.30241	0.1
97.02941	1.0
97.06612	0.2
99.00889	5.4
99.04496	0.2
101.02454	26.6
102.02820	0.5
111.00891	5.0
113.02461	10.8
119.03500	0.5
123.01000	0.2
124.01698	0.2
125.02467	1.0
129.01924	1.3
131.03481	0.3
133.02901	0.2
141.01947	0.5
143.03506	1.1
148.01697	0.3
149.02446	0.4
149.04451	0.2
159.03011	3.4
161.02435	0.3
161.04572	7.4
164.66820	0.2
171.04530	0.4
179.03502	0.3
181.81490	0.2
183.04585	0.6
194.05850	0.4
199.03999	0.7
200.04846	0.2
209.08229	1.1
211.03920	1.0
211.17052	0.7
212.04695	0.3
213.18626	2.3
226.02707	0.4
227.03494	2.3
228.04227	0.5
229.08669	0.3
239.03571	0.7
240.04323	1.2
254.02200	0.3
255.03003	3.6
256.03558	0.7
268.03836	0.6
282.01663	0.3
283.02493	7.7
284.03265	3.9
285.03955	0.4
296.03351	0.7
297.04047	3.8
298.04825	11.3
299.05560	4.3
299.25934	1.7
300.06155	0.3
327.29150	0.3
345.30124	8.6
346.30484	0.6
359.28036	3.1
360.28470	0.4
387.31219	0.2
415.30634	0.2
461.31274	0.2
489.34198	0.2
507.35394	100.0
508.35721	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	507.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76129	0.3
57.03366	1.2
57.03656	0.5
58.00532	0.5
58.13678	0.2
59.01297	2.0
59.01613	0.5
60.53012	0.2
65.69277	0.2
69.03412	0.3
69.58205	1.2
71.01329	0.5
73.02850	0.8
85.02895	0.5
87.04470	0.5
89.02380	0.5
97.06535	0.3
97.20599	0.2
101.02376	0.4
111.08069	0.3
113.09653	0.4
123.08045	0.7
125.09617	0.8
127.11270	0.5
131.03416	0.3
135.07965	0.3
139.11208	0.4
140.88295	0.3
141.09138	0.5
141.12852	0.4
143.10649	0.4
149.04478	0.8
153.09157	0.4
155.10701	0.6
157.12343	1.2
167.10695	0.3
169.12216	0.7
171.10172	0.9
185.11842	1.4
201.11246	0.6
209.83716	0.2
215.12798	0.6
243.16042	0.5
251.20166	0.6
269.37958	0.2
293.21469	0.3
311.22302	0.5
327.21844	0.5
327.25629	0.4
329.23553	2.1
337.19919	0.3
339.25226	0.6
355.25058	0.4
357.26486	3.9
358.26880	0.4
373.25992	1.9
375.27524	100.0
376.27844	7.3
387.50317	0.2
507.31943	16.6
508.32126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02843	0.2
57.03203	0.3
57.03456	4.6
57.92145	0.2
59.01383	3.9
69.03462	0.6
69.44888	1.4
69.45293	0.5
71.01386	1.3
73.02940	1.1
80.54989	0.2
85.02969	0.7
85.06596	1.4
89.02433	0.4
97.06590	1.0
101.02458	0.9
113.02444	0.4
113.09734	1.8
115.07647	0.9
125.09671	0.3
131.03516	0.5
139.07671	0.3
141.12849	0.6
149.44453	0.2
157.08698	0.6
172.23753	0.2
174.17566	0.2
176.56763	0.3
183.13838	0.4
185.11763	0.5
199.17056	0.5
215.12877	2.3
237.07622	0.3
243.16008	0.7
280.74557	0.2
287.22339	0.3
301.42661	0.2
311.22198	0.4
329.23355	2.3
357.26501	3.6
357.30948	0.4
359.24387	0.3
371.24374	0.7
375.27518	100.0
376.27866	8.7
376.32422	0.2
389.25378	2.0
440.02908	0.3
507.32520	14.1
508.31711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	3.0
57.03664	1.1
59.01271	1.3
69.03378	0.3
71.01324	0.3
71.04949	0.5
71.31982	0.4
74.10974	0.2
74.51822	0.3
85.06506	0.5
111.01369	0.3
117.89243	0.3
125.09570	0.3
127.11220	0.3
131.03410	0.3
145.22446	0.3
155.14226	0.3
171.10295	1.4
183.13921	3.4
201.14793	0.9
243.15898	0.9
287.22067	0.3
311.22351	0.4
327.25168	0.4
329.23309	3.0
357.26440	3.1
359.24429	0.4
373.25925	1.0
375.27524	100.0
376.27878	7.7
389.25290	0.3
507.31979	16.8
508.32248	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
57.03451	2.2
59.01385	11.2
61.98830	0.9
68.99789	0.4
69.03439	0.5
69.73072	2.1
71.01389	7.7
72.99280	0.4
73.02961	3.1
75.00873	1.4
78.95913	0.5
79.54589	0.4
83.01399	1.8
83.23022	0.3
85.02949	4.7
87.00883	0.9
89.02457	2.0
93.03477	0.8
95.01385	0.8
96.96033	0.5
99.00879	2.7
101.02451	5.9
108.02171	1.0
108.08181	0.3
109.02958	0.4
111.00889	0.6
113.02457	2.9
119.03542	0.5
119.05036	0.5
121.05315	0.4
122.06170	0.5
123.04518	1.2
123.08141	0.4
125.02473	0.6
129.01981	0.8
132.04550	1.1
136.07687	10.5
137.02454	1.0
139.06776	0.4
143.03503	0.4
144.78040	0.4
147.03015	2.7
148.05269	0.4
159.02971	0.5
160.03986	0.6
161.04559	1.9
163.07584	0.4
167.03488	1.5
176.03563	0.6
177.02005	0.5
190.05118	1.3
197.06056	0.3
209.08339	0.5
210.03256	0.8
223.08783	0.6
226.02927	0.4
227.03569	0.9
227.16457	0.7
232.53860	0.3
239.11887	0.7
251.11835	0.6
253.06137	0.4
255.03004	1.5
267.11606	0.3
269.04617	0.7
283.02521	2.9
283.05466	0.5
283.10873	4.0
284.03192	0.9
295.10883	0.9
295.22757	0.5
297.04010	3.6
297.56787	0.4
298.04767	2.7
299.05518	0.8
311.25836	1.1
313.23849	5.1
341.26837	1.8
345.29959	0.8
355.12881	0.4
357.26620	0.5
359.28036	100.0
360.28391	7.1
368.64755	0.3
375.27399	1.2
404.59305	0.4
431.18164	0.6
432.19382	5.3
464.22021	1.1
476.18326	8.2
507.12601	0.5
507.31909	18.6
508.21036	4.6
508.32150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07635	0.4
55.43054	0.4
58.30638	0.3
58.82580	0.3
63.30024	0.3
70.65885	0.7
70.66255	0.7
87.04519	0.6
97.06599	4.2
98.19745	0.3
149.02365	0.4
149.06044	1.5
161.02448	0.4
223.07689	0.6
225.09227	32.6
226.09558	1.0
235.07668	0.7
237.09218	8.1
238.09604	0.5
239.10881	0.5
239.32120	0.3
245.54875	0.3
272.10519	0.7
279.13965	0.5
281.08105	0.4
293.15536	1.6
294.16092	0.4
295.17059	43.7
296.17383	3.0
307.13477	1.7
335.12933	0.8
339.16031	100.0
340.16360	7.6
340.20486	0.3
391.22903	1.8
419.22382	2.9
430.48428	0.3
489.16779	0.3
507.27771	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66840	0.4
53.97535	0.5
67.64587	0.4
71.00159	0.9
97.06603	3.6
105.08916	0.4
106.48731	0.4
134.03662	0.6
135.04524	0.4
149.06076	1.9
161.02461	0.4
161.06314	0.4
189.09302	0.6
223.01265	0.4
223.07553	1.0
225.09215	32.9
226.09605	2.1
235.07579	0.6
237.09195	9.1
238.09584	0.5
239.10660	0.5
263.14447	0.5
281.08301	0.7
293.15509	1.6
295.17038	40.3
296.17313	2.9
307.13391	0.4
321.14706	0.5
334.82785	0.5
335.12900	0.4
339.16003	100.0
340.16357	8.5
391.22983	2.1
419.22321	2.6
507.27634	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	507.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02108	1.5
57.01797	1.7
59.01394	2.1
71.55138	3.4
79.05534	8.7
80.75922	1.8
81.03461	2.0
85.02949	2.4
91.05578	1.7
96.36366	1.6
97.06592	33.1
102.61261	1.6
107.05048	10.5
109.06602	54.3
124.39395	2.0
127.07659	30.9
135.04539	26.1
149.06067	3.1
223.07594	5.0
225.09221	42.3
226.09979	41.9
235.07497	2.5
237.09241	7.1
241.12369	59.6
242.12679	3.9
269.08118	6.0
271.06061	2.8
286.08389	5.8
293.15472	12.1
295.14047	3.1
295.17059	30.3
307.13376	6.3
321.15131	2.8
333.14923	3.1
335.12988	2.4
339.16028	63.6
340.16431	5.4
351.15854	2.5
355.15521	100.0
356.15793	7.0
363.15939	5.2
373.17731	1.9
421.18866	1.9
421.23926	35.4
422.24420	4.1
449.23392	28.7
450.23590	3.0
467.98724	1.8
507.27615	40.2
534.80096	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	507.2754
Annotation	Epiamauromine
Peak:m/z	Relative Intensity
71.32067	1.4
74.66890	0.7
79.05487	0.8
83.05032	6.4
107.05001	0.7
109.06582	1.5
137.61362	0.8
147.04538	2.2
153.86310	0.8
159.04536	9.9
202.09938	1.5
225.09276	4.1
226.09930	1.4
227.10854	1.1
230.29442	0.7
234.67787	0.7
237.09167	1.6
239.10764	1.7
250.09944	0.9
251.10786	2.7
255.84787	0.8
271.54706	0.7
279.13913	0.8
281.15323	3.7
291.13828	5.0
293.15524	11.9
295.17084	4.0
305.15488	20.8
306.15918	2.2
309.18546	1.4
317.15491	1.2
331.17264	1.5
343.20801	1.1
357.18652	1.0
359.20074	0.9
371.20276	1.9
375.19641	2.6
387.23276	2.4
405.24384	6.0
415.22867	1.1
427.26144	1.1
445.27505	6.5
463.28583	4.8
507.27567	100.0
508.27936	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	507.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98851	0.4
65.03716	0.4
69.16193	2.7
69.16615	0.8
76.36400	0.3
87.04524	0.7
95.05041	0.8
97.06613	4.7
97.98479	0.4
111.01436	0.4
134.03763	0.4
149.06123	2.1
161.02428	0.5
175.25334	0.3
196.31403	0.3
211.11330	0.4
223.07664	0.8
225.09230	35.1
226.09503	2.0
235.07768	0.5
237.09251	8.8
238.09587	0.5
239.10832	0.5
240.11543	0.4
269.07758	0.3
272.10498	0.6
279.14038	0.4
281.08203	0.6
293.15463	1.5
295.17053	44.3
296.17395	3.2
307.13397	0.8
309.00693	0.3
313.46783	0.3
313.53067	0.5
321.14951	0.5
331.99847	0.3
335.12872	0.7
339.16019	100.0
340.16376	8.4
391.22754	1.6
400.97235	0.4
419.22287	3.7
472.50171	0.4
507.27319	1.4
507.34415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2755
Annotation	Epiamauromine
Peak:m/z	Relative Intensity
59.01363	0.9
63.25639	0.5
71.55229	0.5
82.47747	0.5
82.89861	0.5
82.95439	1.3
83.05023	1.7
86.31632	0.6
99.92606	0.8
107.01376	0.7
107.05057	1.5
108.02175	1.5
109.06585	1.1
116.92851	3.2
123.04530	0.7
135.04541	0.7
147.04526	1.3
148.05367	0.9
151.00377	0.7
159.04515	6.1
164.01199	1.0
167.03517	1.7
171.04643	0.6
175.07610	1.8
185.06133	0.9
196.00089	0.8
197.09798	0.8
201.05527	1.3
201.09296	1.3
202.09975	0.8
203.10670	0.9
213.09230	1.0
219.06587	3.9
220.06883	0.6
225.09203	5.4
226.09865	0.7
227.10722	0.6
235.07605	0.6
237.09273	2.5
239.10747	3.3
241.12366	1.2
243.14117	0.5
249.09258	0.7
251.10829	1.9
260.54318	0.5
275.29074	0.7
277.21176	0.5
279.13901	1.6
281.15430	1.3
286.04800	1.2
291.13910	9.1
292.14511	0.7
293.15543	8.7
294.15991	1.1
295.17065	5.0
296.17429	0.7
303.13904	3.1
305.15469	13.0
306.15778	0.8
309.18436	1.5
317.15579	2.7
329.15610	1.0
333.18375	0.6
335.16626	1.5
338.15350	0.6
343.20609	2.9
347.16422	1.0
347.20142	6.7
348.20584	0.7
349.21716	1.2
355.20660	0.6
359.20303	0.7
361.21643	3.3
361.98984	1.0
371.20316	1.4
373.21841	0.7
387.23328	3.3
405.24353	11.8
406.24484	1.1
463.28577	5.3
464.28693	1.1
487.25986	0.7
507.27588	100.0
508.27875	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	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01719	1.0
66.17350	0.4
69.51291	2.2
69.51706	1.1
71.01402	2.6
73.02959	1.9
83.01417	0.5
89.02473	1.9
98.19940	1.0
101.02441	2.7
106.06672	0.4
113.02483	1.9
119.03526	0.7
122.06123	0.5
124.07695	0.7
132.04559	3.0
133.05357	1.9
161.04616	0.9
163.09492	0.4
165.04369	2.2
177.04266	0.5
215.11852	0.5
243.15901	1.0
257.13031	2.8
283.11017	1.5
301.12067	1.1
345.10934	13.7
346.11371	1.4
387.20221	3.3
405.21436	1.2
447.22504	3.6
507.16260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.40647	0.5
57.03448	2.6
59.01388	24.7
61.98826	1.1
70.49595	0.6
71.01386	12.5
72.99300	0.9
73.02943	4.3
75.00825	0.6
83.01395	2.0
83.05046	0.7
85.02958	4.3
87.00894	1.2
87.04519	0.7
89.02458	6.4
89.61684	0.6
93.80000	0.6
95.01368	0.8
96.42083	0.6
98.20698	1.1
99.00861	1.8
101.02454	8.0
111.00890	1.0
113.02452	3.8
113.09701	0.6
123.08173	1.2
125.02479	1.0
127.11332	0.8
131.03503	3.8
135.08205	0.8
137.02469	0.9
137.09821	0.6
138.99176	0.6
149.04617	4.6
155.24377	0.6
157.12379	0.8
161.04576	3.0
167.03540	0.6
169.12346	1.3
171.13725	0.6
178.02234	0.8
185.11827	1.4
199.00493	0.5
215.12935	0.7
231.42857	0.6
274.27887	0.6
276.74323	0.6
285.20551	0.8
311.22433	1.1
315.18320	3.7
329.23123	3.0
339.25552	0.8
357.26410	4.0
373.25989	2.5
375.27533	100.0
376.27988	5.9
447.22391	21.0
448.22873	1.1
507.32339	16.1
508.32285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.40647	0.5
57.03448	2.6
59.01388	24.7
61.98826	1.1
70.49595	0.6
71.01386	12.5
72.99300	0.9
73.02943	4.3
75.00825	0.6
83.01395	2.0
83.05046	0.7
85.02958	4.3
87.00894	1.2
87.04519	0.7
89.02458	6.4
89.61684	0.6
93.80000	0.6
95.01368	0.8
96.42083	0.6
98.20698	1.1
99.00861	1.8
101.02454	8.0
111.00890	1.0
113.02452	3.8
113.09701	0.6
123.08173	1.2
125.02479	1.0
127.11332	0.8
131.03503	3.8
135.08205	0.8
137.02469	0.9
137.09821	0.6
138.99176	0.6
149.04617	4.6
155.24377	0.6
157.12379	0.8
161.04576	3.0
167.03540	0.6
169.12346	1.3
171.13725	0.6
178.02234	0.8
185.11827	1.4
199.00493	0.5
215.12935	0.7
231.42857	0.6
274.27887	0.6
276.74323	0.6
285.20551	0.8
311.22433	1.1
315.18320	3.7
329.23123	3.0
339.25552	0.8
357.26410	4.0
373.25989	2.5
375.27533	100.0
376.27988	5.9
447.22391	21.0
448.22873	1.1
507.32339	16.1
508.32285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94918	0.4
57.03456	0.7
59.01386	100.0
60.01721	0.9
69.60093	3.0
71.01392	3.0
73.02956	2.7
74.14539	0.6
83.01401	0.9
85.02947	0.8
89.02472	1.8
99.49116	0.4
101.02433	3.3
113.02486	2.0
149.04608	1.0
161.04604	1.5
183.79321	0.5
257.11795	0.7
302.09412	0.5
310.38693	0.5
387.20148	2.1
398.38803	0.5
405.21429	1.2
447.22357	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	507.2026
Annotation	Kirondrine
Peak:m/z	Relative Intensity
50.81281	0.7
59.01373	2.1
61.98826	1.0
63.13671	0.9
67.01897	1.3
68.86728	0.7
71.55057	0.9
78.95932	1.4
83.05033	1.2
83.64233	0.7
84.98204	0.7
103.23501	0.8
107.01402	0.9
107.05069	1.8
108.02159	6.2
110.00122	4.4
111.00880	1.5
116.82229	0.7
121.06519	1.0
123.04525	3.7
131.05089	0.6
134.03738	1.1
135.04546	3.2
137.09720	4.0
137.99666	3.5
139.00389	100.0
140.00745	2.1
145.39861	0.7
149.06067	0.9
151.00430	1.6
152.00978	0.8
152.99747	1.5
153.01955	33.6
154.02734	67.9
155.03082	1.1
155.15376	0.8
155.42072	0.8
164.01222	1.2
167.03519	14.7
168.04301	1.4
169.05072	25.1
175.07610	0.9
181.05066	2.1
187.07613	0.8
196.00185	1.1
219.06657	2.5
225.09193	8.9
226.09837	0.8
237.09305	3.3
239.10828	7.0
251.10864	2.4
269.08163	0.8
279.13876	1.8
279.23328	17.2
280.23486	1.6
286.04892	3.1
291.14096	0.9
293.15396	5.5
295.17062	3.7
305.12021	1.1
305.15448	0.9
307.13489	0.7
309.18661	0.8
317.15524	2.0
323.13013	1.5
327.13843	0.9
337.14505	3.2
338.15106	0.8
339.16022	1.5
371.19244	1.4
375.23328	2.2
387.21811	9.8
409.12820	1.6
409.20279	6.3
419.22440	1.5
423.22153	1.6
445.27707	1.5
463.28665	1.4
492.18445	0.9
507.20313	86.2
507.27612	47.5
508.20581	8.8
508.27957	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65843	0.9
57.03442	4.1
58.00580	2.2
59.01384	63.8
69.03463	6.2
70.66494	2.6
71.01389	61.5
71.22285	1.1
72.01717	1.6
72.99292	2.8
73.02946	11.2
75.00867	3.0
81.03457	5.4
83.01390	4.4
85.02978	10.9
87.00885	2.6
89.02452	73.3
93.03452	1.2
94.98064	1.1
95.01388	2.7
96.86230	1.1
97.02961	10.7
98.76680	1.1
99.00889	15.1
99.04507	1.5
101.02451	17.0
108.02175	1.4
109.02913	2.3
111.00865	2.8
113.02454	9.4
115.04035	7.6
119.03483	3.3
121.99930	1.1
122.03742	16.8
123.00900	1.5
125.02464	42.6
131.03526	10.3
137.02425	4.2
143.03491	3.4
149.04582	12.9
161.04527	3.4
169.10249	2.5
171.08182	11.1
183.13940	1.8
185.11836	1.5
191.05620	8.7
213.09227	84.2
214.09575	4.7
218.39018	1.5
233.04393	2.0
233.06671	35.7
273.07813	3.2
293.05597	2.4
293.08823	41.8
309.21753	1.1
329.23355	2.4
357.26297	3.6
362.29868	1.5
373.25836	1.8
375.27524	100.0
376.28003	5.9
386.41971	1.3
465.26944	3.5
506.34119	5.9
507.18622	27.0
507.27979	11.8
507.33273	4.3
508.19254	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
67.06665	0.9
79.95722	4.5
96.96022	100.0
121.02944	1.6
135.04498	3.1
181.05121	1.2
201.05511	0.9
219.06580	2.0
224.78380	0.9
225.09203	4.8
226.09683	1.1
245.15356	1.6
257.15344	1.6
259.16940	1.1
285.15033	1.5
289.37949	1.0
295.17096	6.6
339.05045	0.9
371.11688	5.4
371.18457	1.5
373.13159	3.7
387.23026	1.1
391.14438	1.1
391.19180	2.7
401.12589	3.7
405.24399	2.2
409.20227	9.0
447.15979	1.4
465.16055	1.0
507.17157	18.5
507.28156	10.0
508.17120	1.7
508.27487	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01309	1.4
53.95891	1.6
58.00589	3.2
59.01385	78.3
60.01746	1.5
61.98834	4.5
69.03412	1.7
71.01389	54.2
71.54321	2.4
72.99336	2.1
73.02954	14.8
83.01371	2.5
85.02953	5.6
87.00885	4.8
89.02455	100.0
96.96014	8.6
97.02972	3.5
99.00886	26.3
101.02452	36.4
105.50587	1.6
113.02460	10.2
117.03474	5.3
117.05594	2.2
119.03498	5.9
119.04945	2.1
123.04543	4.3
125.02443	6.3
131.03525	18.2
133.02985	2.1
135.04568	1.7
138.05615	2.1
145.02972	24.8
146.03748	5.3
147.04539	6.8
149.04568	66.5
150.03256	4.4
161.02458	24.6
161.04536	2.4
162.03241	31.7
163.04004	4.0
164.07190	4.6
165.05464	2.0
177.05574	13.1
180.04279	3.6
189.01920	1.8
191.05605	15.5
195.06689	8.1
198.12749	1.5
233.06654	2.3
251.07785	4.9
293.08643	7.2
304.97186	1.4
357.11905	2.1
489.09100	2.0
489.16156	42.3
490.16446	4.7
507.17160	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	507.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23639	1.2
59.01385	8.0
61.98844	1.3
65.00333	2.4
67.01894	2.3
69.49330	8.7
73.13805	1.2
74.09399	1.1
74.46973	1.1
75.30927	1.0
79.95754	5.3
81.49808	1.1
88.87885	1.4
93.03461	1.2
96.96021	100.0
98.19920	2.6
99.92612	5.6
107.05005	1.2
108.02171	1.5
109.02987	1.8
114.93427	2.5
115.92082	2.9
116.92876	33.0
123.04479	1.3
128.54938	1.1
133.20985	1.2
135.04544	13.2
143.07129	2.0
152.99608	1.1
161.02386	1.3
162.06866	3.6
175.07593	2.0
177.09297	1.6
180.85464	1.1
213.09196	1.4
219.06508	1.6
223.07600	2.1
225.09254	6.0
226.09904	1.4
239.10815	7.1
243.81004	1.2
257.08194	1.7
265.57910	1.1
270.72034	1.2
281.15530	1.4
283.09836	1.7
291.14096	1.5
307.13419	1.3
311.06250	1.6
325.04065	2.0
361.98953	4.6
365.21091	1.5
367.04996	2.2
371.18683	6.3
377.04968	1.4
387.16003	2.4
391.19128	2.7
405.17349	1.3
409.20087	14.1
425.12625	5.7
425.19693	3.6
447.14966	5.3
463.18280	1.7
471.09064	8.6
472.09256	2.6
475.14465	1.3
485.06842	2.5
489.10162	3.0
507.10934	1.3
507.16977	6.3
507.24103	13.9
507.34171	2.6
508.24426	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58183	2.9
59.01392	15.2
67.54796	3.1
71.54871	5.3
78.95925	3.7
79.95742	3.6
84.80851	2.9
96.96020	78.9
96.96672	3.8
96.96986	8.2
104.15467	2.8
117.03493	4.8
125.07594	3.0
128.18652	3.1
135.00922	3.7
135.04454	4.5
136.01709	7.1
137.02518	3.6
145.02969	25.9
156.91362	3.2
159.08113	3.1
161.02505	3.3
162.06909	11.2
163.07619	3.5
164.01163	3.7
177.09145	6.4
178.61900	3.4
203.07176	8.6
225.09119	6.0
239.10779	11.6
266.01968	3.3
296.03369	3.6
329.23358	8.4
347.20349	3.5
365.10205	3.6
367.04880	9.9
371.18964	3.7
395.15091	29.9
396.15115	3.8
409.20197	25.4
415.24783	3.5
425.19675	100.0
426.19971	8.2
433.26062	7.0
447.16745	12.6
471.27664	6.6
489.16040	3.8
489.32138	4.1
507.17007	4.2
507.23282	6.5
511.46326	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03446	0.8
59.01382	6.6
61.98857	0.4
69.03462	0.4
69.27715	1.2
69.28121	2.6
71.01387	5.8
72.99321	0.5
73.02959	2.0
75.04347	0.4
83.01395	1.1
85.02956	3.2
87.00882	0.6
89.02448	1.0
93.03480	0.5
94.61179	0.4
95.01409	0.8
99.00887	1.1
101.02461	4.9
102.02816	0.5
113.02463	2.0
114.10918	0.4
118.35096	0.4
119.03470	0.5
121.02947	0.7
124.01627	0.4
125.02454	0.6
133.02969	1.9
136.07695	8.3
147.00934	0.4
148.01666	3.0
149.02492	2.6
151.00410	0.6
155.05011	0.8
157.02994	0.5
159.02980	0.6
161.02437	1.9
161.04549	1.9
167.05054	1.0
171.04507	3.1
175.00354	0.7
176.01067	1.2
176.04822	1.1
179.03496	2.5
182.03665	0.6
183.04527	4.5
184.05157	0.7
190.05070	0.8
194.05832	3.0
195.04565	1.2
198.03171	0.9
199.04019	6.0
200.04811	1.1
209.08223	10.1
210.03215	0.8
211.04019	9.8
211.12366	0.5
212.04750	2.2
223.03972	0.7
223.08742	0.8
224.09578	0.5
225.02127	0.4
226.02773	1.9
227.03508	18.6
228.04237	4.3
229.04759	0.6
239.03502	6.9
239.11914	1.4
240.04263	9.1
240.10260	0.4
241.04800	0.6
242.05768	0.4
251.11969	0.7
254.02216	1.6
255.03004	36.0
255.16052	0.9
256.03659	5.3
257.04282	0.7
267.02948	1.5
268.03793	5.7
269.04370	0.6
272.03299	0.8
282.01633	2.1
283.02499	64.7
283.10812	4.2
284.03241	33.5
285.03851	3.9
287.09323	0.7
295.02426	0.6
295.10931	0.7
296.03259	6.6
297.04059	34.5
298.04831	100.0
299.05573	35.5
299.09201	0.8
300.06052	2.3
313.03632	0.6
313.07285	1.5
315.08765	1.0
342.07346	1.1
358.26840	1.2
359.28058	3.6
376.24207	1.0
432.19296	5.2
447.12888	0.8
450.13004	0.4
476.18375	8.8
489.11514	0.6
505.17691	0.5
506.34311	7.0
507.12885	9.5
507.35245	6.4
508.13492	0.9
508.20868	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	507.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15335	0.7
53.35775	0.6
59.01385	0.7
59.55568	0.5
69.36952	1.9
69.37376	2.7
70.34795	0.5
99.92593	23.1
100.92622	1.1
100.93362	1.4
115.92085	31.2
116.92871	91.8
117.92905	3.1
122.08356	0.6
123.00893	0.8
123.55154	0.7
138.11028	0.6
144.82967	0.6
148.35242	0.6
149.02444	0.6
185.06136	2.1
223.07700	2.1
225.09155	4.0
235.07709	0.6
237.09187	0.6
249.72058	0.7
269.99979	1.4
275.10760	2.0
277.12302	0.7
288.01062	1.0
291.13861	0.7
295.14069	0.6
295.17090	2.6
313.98840	1.4
319.09955	0.8
319.30121	0.6
325.01843	1.7
329.01227	1.4
339.16022	5.5
359.20197	2.4
361.05072	1.0
361.21811	0.7
363.23526	0.7
364.00443	1.6
365.00873	0.8
365.04953	1.3
375.03192	1.6
376.03824	1.4
376.08081	3.2
379.06528	4.4
388.04352	1.0
389.04880	2.1
390.02127	1.7
393.04465	5.9
394.04785	1.1
398.08136	0.9
403.19153	0.9
405.04187	2.9
405.20422	1.3
407.22446	1.1
420.06726	100.0
421.07004	12.2
445.14774	0.8
448.13721	1.0
459.13046	0.7
463.15860	3.1
477.13724	1.1
489.13763	19.6
490.13785	2.8
495.14426	0.7
503.11240	0.9
507.14822	23.1
508.15021	3.4
521.12653	3.6
522.13110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.9
59.01378	20.0
61.51230	2.6
61.98825	4.4
63.68762	3.6
68.63037	2.9
69.50879	12.9
69.51311	9.8
76.68563	3.0
78.03533	3.1
82.95428	17.4
92.83079	2.9
107.05042	7.9
110.75137	3.1
137.09689	3.3
157.06567	7.3
161.02489	3.5
162.06825	3.9
165.01869	7.5
175.07677	23.2
180.04231	9.9
181.30424	3.1
183.01047	3.1
193.01471	16.6
195.06696	4.1
201.05594	27.9
208.03789	30.8
219.06636	65.1
223.06157	52.2
236.08299	6.6
259.07266	3.2
259.81335	3.2
261.05478	3.5
280.07172	3.1
282.05301	5.1
294.74472	3.4
301.05579	6.2
345.07428	5.7
347.05426	86.7
348.05539	4.8
354.79364	3.2
360.09778	6.7
362.07742	51.3
363.08179	4.2
375.12152	16.7
377.10077	100.0
378.10321	6.2
403.11600	12.8
407.50131	3.2
424.38614	3.8
425.19583	12.7
447.10553	70.4
448.10898	7.1
465.11621	8.6
471.27777	20.7
507.11301	8.3
507.32965	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	507.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06036	1.1
57.03423	1.4
59.01377	4.6
59.44389	1.1
61.98819	1.4
65.00288	1.1
71.05030	1.8
71.54875	1.6
82.95439	1.3
83.05032	5.4
99.92599	28.0
105.77531	1.1
107.05014	1.6
108.02187	1.8
113.22369	1.1
115.92081	13.2
116.92873	100.0
117.92892	3.5
119.05046	1.4
121.02996	1.9
135.04504	1.7
135.08244	1.1
139.00359	2.3
150.03188	1.2
151.00357	3.0
152.29704	1.0
154.02666	1.2
161.02460	1.4
162.06865	4.3
164.01117	1.3
170.05269	1.3
175.07622	5.3
196.00244	1.4
209.11858	1.1
211.07686	1.4
213.09244	3.4
219.06717	1.6
223.07655	1.5
225.09306	2.1
235.07765	1.3
237.09132	1.6
277.12134	1.9
286.04834	3.3
288.94223	1.5
320.01566	1.4
322.02771	1.3
325.01880	2.4
329.23438	2.5
343.09692	1.9
353.98413	1.3
362.06125	2.2
364.00598	12.6
365.01013	3.1
366.01840	2.3
371.26413	1.3
373.14465	2.5
387.16162	7.3
387.21094	1.7
405.17120	8.2
406.05200	21.2
407.18658	3.4
423.18188	3.7
425.18906	1.2
427.10135	1.7
441.08121	1.5
445.11276	2.2
453.08002	1.3
459.08963	2.3
463.12183	5.2
471.09119	11.6
473.07379	1.4
485.06827	3.0
489.10159	44.6
490.10211	8.4
503.08087	2.4
507.11154	7.8
507.21021	3.6
507.24661	4.6
507.33951	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01383	23.5
67.27633	0.7
69.03455	2.8
69.71400	2.2
69.71819	2.1
71.01383	6.2
72.99310	14.6
73.02954	3.3
75.00863	1.8
83.01390	1.8
85.02956	2.6
86.49994	0.7
87.00883	0.8
89.02455	1.6
91.90854	0.7
93.03481	1.8
95.01379	2.3
97.02954	2.3
98.19881	1.1
99.00913	0.8
101.02486	3.9
101.03029	0.6
103.00381	2.1
107.01386	1.4
108.02188	2.3
109.02965	2.1
112.91663	0.7
113.02457	3.0
119.03510	0.7
121.02957	6.9
122.03820	0.8
123.00898	6.9
123.04525	2.4
124.01672	16.1
125.02459	30.1
132.02176	0.8
134.03763	6.0
135.04523	1.6
137.02481	3.7
137.09743	1.0
139.04018	1.0
146.99368	1.2
147.00879	2.1
149.02469	2.4
149.06049	0.9
149.99594	25.9
150.03244	1.1
151.00293	2.5
151.04036	1.7
153.01927	0.7
160.01643	6.2
161.02399	2.0
161.04562	1.0
163.04002	1.8
167.03522	0.8
168.00650	47.8
169.01385	3.7
171.10281	1.3
175.04005	9.4
179.03514	20.8
179.07092	1.3
180.04172	1.2
181.05037	1.2
182.98557	0.7
183.13979	0.8
185.11986	0.9
189.01860	1.1
193.05080	3.7
207.02988	25.6
208.03702	4.4
209.04530	1.2
213.11203	1.2
215.12823	2.7
222.05327	24.5
223.06030	6.8
237.05235	1.1
237.07695	21.7
269.04489	0.8
283.09467	0.9
313.05722	2.7
331.06711	11.4
375.23892	0.9
375.27606	12.8
385.09631	1.3
389.25366	6.0
403.10309	1.7
403.23450	1.1
417.12112	1.6
417.58539	0.8
431.09750	2.6
447.26498	1.2
465.08301	0.7
465.27612	1.0
475.08868	1.4
489.10406	1.2
506.26785	1.7
507.11456	100.0
507.27426	15.1
508.11603	10.0
508.27908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83975	1.2
59.01376	4.6
61.98827	1.8
66.79838	1.3
71.55051	2.0
72.62003	1.2
82.74199	1.3
91.83188	1.0
96.96037	2.5
97.16778	1.0
99.92589	22.2
108.02196	1.4
110.11522	1.0
115.92059	5.7
116.92873	100.0
117.03442	1.3
117.92847	3.7
119.05027	3.2
121.03053	1.1
121.06618	1.8
123.04530	1.5
135.04530	1.1
143.07150	1.3
145.02930	1.3
161.02481	1.1
162.06860	5.1
163.07616	1.4
164.01166	1.3
175.07634	2.1
177.09209	1.6
185.95554	1.1
211.07571	1.3
221.06096	1.5
221.69423	1.1
223.07700	2.3
225.09332	1.4
233.05965	1.9
235.07660	1.3
257.08115	1.3
291.13895	2.0
296.03265	1.2
317.99857	2.6
321.99225	2.6
329.23358	2.8
333.99451	1.8
338.99368	1.4
341.15039	1.2
350.99472	1.8
361.98907	11.5
377.01096	1.4
387.15906	2.9
389.05118	2.1
401.05124	1.8
403.02863	2.3
404.03516	3.8
405.16995	4.1
407.18652	3.6
409.19952	1.6
423.18030	2.1
425.19138	2.2
427.10098	1.2
433.04144	1.9
441.07587	1.4
447.08533	1.4
453.08102	1.3
471.09100	23.0
471.27194	1.6
472.09622	5.6
482.35449	1.1
485.07108	6.4
486.06943	1.5
489.10223	7.3
507.11218	4.7
507.24164	5.2
507.33255	2.6
518.88037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3179
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
57.03455	9.5
59.01390	4.4
59.80445	0.5
61.98840	0.7
63.77178	0.5
69.03454	3.1
69.37524	0.6
69.46410	2.5
69.46830	1.1
71.01373	1.6
80.02702	0.8
84.75508	0.5
85.02957	0.6
88.38805	0.6
97.06580	0.5
101.02521	0.6
107.05022	3.6
109.06606	49.7
110.06960	1.3
111.14118	0.5
113.02383	0.6
169.00446	0.5
178.02733	0.9
271.02518	0.8
273.22159	0.6
296.03275	7.1
297.03986	2.1
300.02753	0.8
309.07703	0.7
311.23856	0.6
313.25433	8.2
314.25854	0.8
327.15955	0.5
327.26938	1.9
329.25079	0.6
339.27020	0.7
341.28482	5.8
355.30090	2.0
357.28021	2.0
367.26471	2.5
381.27820	0.9
385.95328	0.6
389.30670	10.9
390.31219	1.0
397.05157	0.6
425.30783	0.8
443.31815	5.8
461.32770	41.6
462.33035	3.9
504.74942	0.9
505.31750	100.0
506.32129	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	505.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03455	1.4
58.00595	0.5
59.01385	100.0
59.27073	0.2
60.01719	0.7
61.93253	0.2
61.98841	0.5
64.49863	0.2
69.25845	0.6
69.26248	1.6
71.01389	9.7
72.99332	0.4
73.02950	3.2
77.39432	0.2
83.01399	3.0
83.05057	0.4
84.56513	0.3
85.02963	5.4
87.00900	0.8
89.02448	1.5
93.03465	0.4
95.01418	1.0
97.02979	0.5
98.20686	0.6
99.00895	1.2
101.02451	6.3
109.06626	0.5
111.00912	0.6
112.01663	0.4
113.02460	4.1
115.00420	0.3
115.04037	0.3
117.91473	0.3
119.03536	0.6
121.02985	0.4
125.02494	0.7
129.09254	0.3
133.01447	0.2
133.02995	0.7
134.03799	0.6
137.02521	1.0
141.30869	0.3
143.03522	1.0
159.03032	0.3
161.04581	1.6
177.01936	0.4
178.02768	0.3
199.36006	0.3
209.11862	3.3
210.12117	0.3
211.13480	0.8
213.18594	0.6
215.07321	0.3
239.03670	0.4
248.94566	0.3
253.09300	0.6
271.02484	0.4
283.13406	0.3
297.03912	0.3
300.02631	0.3
300.13324	0.3
301.03641	0.3
301.27429	2.0
326.95749	0.3
343.28796	0.7
345.17175	0.7
357.26682	0.3
396.57034	0.3
415.30807	0.5
445.31763	15.0
446.31778	1.2
463.32803	13.8
464.33264	0.9
505.10233	0.4
505.34238	3.0
506.34381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
56.12629	0.1
57.03454	4.5
58.00568	0.2
58.32996	0.1
59.01388	7.9
61.98836	0.3
65.04977	0.1
69.03456	1.1
71.01389	3.8
71.05025	0.3
71.55125	0.3
72.99306	0.2
73.02954	1.7
75.00900	0.2
83.01402	1.2
83.05032	0.2
85.02962	2.3
85.06583	0.3
87.00871	0.3
87.04530	0.3
88.78316	0.1
89.02458	1.3
93.07069	0.2
95.01424	0.7
96.96087	0.1
97.02985	0.3
97.06609	0.4
99.00895	0.4
99.04543	0.2
101.02463	1.8
102.60186	0.1
111.00872	0.2
111.08173	0.7
112.01707	0.2
113.02465	1.8
113.06063	0.2
115.00359	0.3
115.03971	0.3
119.03494	0.3
121.06596	0.2
123.08185	0.9
125.02461	0.4
125.09740	3.4
127.07662	0.2
127.11310	1.7
131.03482	0.5
133.02919	0.2
137.09741	1.7
139.07552	0.2
139.11388	0.2
141.09209	0.4
141.12802	0.2
143.03496	0.4
143.10770	0.6
149.04550	0.5
153.09225	0.5
153.12886	0.5
155.10773	1.8
161.04524	0.5
162.65466	0.1
165.05519	0.2
167.03542	0.2
169.12314	0.2
171.10286	9.5
171.13905	0.9
173.11819	0.7
179.05685	0.2
185.11816	0.5
185.15480	0.3
191.05772	0.2
199.13417	0.4
200.10542	0.3
201.15001	0.5
209.11890	0.3
211.07660	0.2
213.09253	0.4
229.14461	0.9
230.15189	0.6
234.00731	0.1
237.36449	0.2
239.16406	0.2
243.16031	0.7
254.05833	0.4
255.02908	0.2
255.06738	0.4
257.51221	0.2
271.02490	0.6
283.06174	2.2
283.19250	0.2
284.06558	0.2
300.02847	0.8
301.03458	0.3
327.21768	0.7
327.25150	0.3
329.26874	0.2
337.23575	0.3
343.24872	0.7
343.28552	0.2
345.17029	0.4
355.24875	2.4
357.26617	0.4
361.29700	2.0
371.24463	1.5
373.25961	100.0
374.26337	8.2
374.29901	0.2
387.24442	0.2
475.32828	0.3
487.32767	0.2
505.10992	1.0
505.30365	8.8
505.33389	7.3
506.30740	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	505.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55350	0.2
54.71531	0.2
55.01886	0.2
57.03456	4.7
59.01388	7.2
61.98834	0.4
63.02395	0.5
65.00329	0.4
69.03461	1.0
71.01398	4.2
71.05025	0.6
71.55569	0.3
72.99309	0.4
73.02950	2.1
75.00883	0.5
79.91060	0.2
81.03448	0.4
83.01411	1.2
83.05031	0.3
85.02963	3.0
85.06606	1.1
87.00885	0.5
87.04530	0.4
89.02451	1.7
91.01917	1.1
93.07101	0.9
95.01399	0.8
95.05016	0.2
97.02967	0.3
97.06597	0.8
98.03778	0.2
99.00924	0.4
99.04549	1.0
101.02463	2.2
107.01421	0.4
107.18658	0.2
108.02155	0.5
109.06664	0.2
111.08185	0.5
113.02467	2.0
113.06122	0.3
117.19208	0.2
119.03500	0.3
120.99673	0.3
121.03039	0.3
122.03753	2.0
123.08162	1.3
125.02480	1.0
125.09734	2.8
127.11311	0.3
131.03506	0.6
134.03728	0.8
135.04544	0.2
136.01654	0.2
137.02415	0.3
139.07613	0.3
139.11316	0.4
141.09273	0.2
143.03568	0.2
149.04573	0.7
149.06041	0.5
151.00369	1.9
155.10828	0.4
155.14374	0.4
161.04575	0.7
164.01260	0.3
169.06584	0.6
169.10332	0.3
171.08220	1.2
171.10303	0.6
174.64560	0.2
175.03969	0.3
178.02797	0.2
183.13919	0.4
193.05124	0.3
197.15544	0.4
199.13429	1.3
201.14934	0.2
204.96509	0.2
205.07266	0.3
213.09232	13.6
214.09547	1.0
220.32295	0.2
225.15002	0.2
229.14508	0.3
229.18044	0.3
239.07141	3.4
240.07834	0.2
241.14470	0.7
243.16045	4.3
244.16385	0.3
245.20998	0.2
255.02991	0.4
257.08191	1.1
265.18115	0.2
271.02493	0.8
283.19263	0.3
286.04758	0.4
300.02679	1.2
301.03717	0.5
301.07172	4.3
301.20193	0.5
313.03488	0.5
313.23779	0.4
325.23929	0.6
327.21793	2.0
334.47293	0.2
341.23273	0.2
343.08167	0.5
343.17755	0.3
343.24860	2.4
343.28580	0.4
355.24954	1.7
357.22470	0.3
361.18881	0.5
361.29684	1.2
361.33279	0.2
373.25961	100.0
374.26346	7.7
374.30008	0.1
387.23981	0.6
403.20294	0.2
445.24234	0.9
461.14563	9.9
462.15097	1.2
463.25546	1.4
505.30423	7.9
506.31665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
57.03457	5.6
59.01386	18.1
61.98850	1.1
67.04004	0.4
69.03455	1.3
70.03033	2.3
71.01385	7.6
71.05038	1.0
72.99291	0.8
73.02948	5.1
75.00881	0.6
76.30389	0.5
81.03458	0.7
83.01393	2.2
83.04998	0.4
85.02957	4.8
85.06602	1.9
87.00887	1.9
87.04554	0.6
88.98803	0.5
89.02442	2.7
91.01911	2.9
95.01394	1.4
97.02985	0.8
97.06590	1.0
99.00890	1.7
101.02448	5.1
107.10632	0.5
109.02997	0.6
111.00881	0.8
113.02465	5.0
115.07643	0.6
117.94175	0.4
122.03756	4.1
123.00896	0.9
123.08144	1.2
125.02462	1.2
125.09724	2.8
137.02470	0.7
139.11224	0.6
143.03499	0.9
149.04549	0.8
151.00420	0.9
161.04620	0.9
169.06554	1.3
171.08167	1.6
185.11845	1.5
195.08170	0.8
199.13428	2.3
211.07652	1.4
213.09224	24.6
214.09535	1.0
237.18585	0.7
239.07176	5.2
240.07558	0.6
241.14531	0.7
255.02980	0.7
257.08282	1.8
258.01630	0.8
271.02615	1.8
282.05319	0.8
283.05957	1.2
283.19141	0.9
297.07730	1.4
300.02789	3.2
301.03513	1.9
301.10922	1.9
301.20166	1.4
327.22006	2.4
355.24847	2.8
361.29565	3.2
373.25952	100.0
374.26215	6.8
387.24109	0.6
445.24316	1.7
461.14560	15.2
462.14951	1.2
463.25479	2.9
505.11331	2.3
505.26736	15.1
505.33109	3.5
506.27014	1.5
506.34375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18438	0.7
52.58242	0.6
55.01871	2.0
57.03451	6.9
59.01388	29.7
59.15093	0.7
63.86380	0.7
69.03461	1.9
70.74757	0.7
71.01389	23.1
71.05021	1.5
71.55456	1.3
72.99304	1.8
73.02955	12.2
75.00910	0.7
83.01386	6.4
83.05048	1.1
85.02961	12.9
85.06593	0.9
87.00890	2.5
87.04494	1.2
89.02454	7.9
92.53264	0.7
95.01413	1.9
97.02964	2.2
97.06606	1.7
99.00893	3.8
101.02454	15.8
109.02982	1.0
111.00898	2.1
111.08186	1.1
112.01676	0.9
113.02453	10.0
118.75811	0.7
119.03541	2.1
121.02973	1.0
123.04508	0.7
123.08185	1.7
125.02468	4.4
125.09716	2.1
127.11293	0.9
129.01949	1.1
131.03508	1.2
137.02570	0.7
137.09729	1.0
139.11356	1.2
141.09236	0.9
143.03534	2.7
149.04585	2.0
149.06114	0.7
151.11234	1.1
155.10760	1.9
159.03029	2.2
161.02484	1.0
161.04550	5.1
165.05594	0.9
167.03494	2.8
169.06633	1.5
171.10283	13.2
185.11807	5.0
185.15685	0.9
185.51825	0.8
191.05652	0.9
199.13400	12.6
200.13695	1.0
201.15022	1.6
211.07655	7.4
213.09264	3.4
213.11249	1.1
215.12863	1.2
228.54152	0.8
229.18097	2.4
241.14330	0.8
247.95660	0.7
255.02994	1.7
255.05527	0.8
271.02490	2.8
271.05527	0.8
283.19177	3.6
285.20688	1.0
293.08850	0.9
299.05600	1.9
300.02734	4.0
300.06061	2.4
301.03229	1.9
301.06464	4.5
309.20850	1.1
343.04324	1.0
343.24744	1.9
343.28528	1.8
355.24915	21.0
356.25104	1.9
357.26440	2.5
359.28082	1.0
361.29547	5.6
371.24329	1.0
373.25964	100.0
374.26215	7.9
391.31216	0.8
445.20584	1.2
461.14447	4.2
475.32599	1.0
487.32498	0.9
505.09912	2.7
505.26428	1.9
505.34805	32.2
506.33932	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	505.3023
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
55.01866	1.3
57.03444	3.4
59.01385	14.9
61.98798	1.4
68.15662	1.0
69.47099	5.0
69.47505	2.2
71.01392	18.0
72.99317	3.7
73.02937	1.0
73.13227	0.9
74.92219	0.8
75.00876	18.1
78.88221	1.0
83.01408	2.3
83.05061	0.9
85.02959	23.7
87.00886	6.7
87.56935	0.9
89.02454	4.3
91.04033	1.2
95.01395	7.5
99.00882	9.0
103.00398	3.2
111.00893	1.5
113.02457	30.3
115.00382	1.5
117.01954	1.7
129.01956	2.0
129.25598	1.0
135.04558	1.2
147.04478	1.1
157.01472	1.4
157.92368	1.1
165.05505	1.6
175.02490	4.1
175.07538	1.6
182.57503	0.9
205.07185	2.5
225.09239	1.5
249.06198	7.9
253.20410	1.0
255.23303	84.1
256.23621	4.9
267.07239	6.3
423.21835	1.3
487.29141	2.0
505.30310	100.0
506.30798	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	505.3024
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
53.62234	0.7
55.01884	0.8
56.10383	0.9
57.03452	2.2
59.01387	13.2
60.20315	0.8
67.50538	0.7
68.99815	0.9
71.01392	12.8
71.31496	1.0
71.31837	1.2
72.99303	3.5
73.02973	1.1
75.00887	18.2
76.81844	0.8
85.02960	17.2
87.00894	6.4
89.02464	3.4
95.01418	5.4
99.00887	10.2
101.46391	1.0
103.00393	1.5
113.02455	21.9
115.00375	1.9
117.01935	2.6
120.70364	0.8
128.89705	0.8
129.01941	1.1
144.20938	0.8
175.02449	3.5
205.07251	1.5
231.05075	2.1
249.06194	18.1
253.38249	0.8
255.23315	96.8
256.23700	5.2
267.07193	2.5
445.27838	1.0
472.95099	0.9
487.29282	2.9
505.30264	100.0
506.30667	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	505.2963
Annotation	Stellettin C
Peak:m/z	Relative Intensity
53.75478	0.5
69.68724	3.4
80.96133	0.5
93.21806	0.6
104.20087	0.5
107.05037	0.7
108.02145	0.7
119.05049	1.1
121.02953	0.8
123.59289	0.5
134.03752	2.3
135.04536	2.3
137.02457	0.8
149.02437	3.6
149.06078	3.8
152.40506	0.5
163.03951	0.8
181.10223	1.3
193.05063	2.4
211.11244	2.2
225.09229	100.0
226.09744	8.6
239.10826	5.1
240.11491	1.0
241.12378	5.2
255.10231	1.7
255.23257	1.2
269.08185	11.4
270.08606	0.9
272.10516	1.6
283.09683	3.0
284.10397	0.7
304.70837	0.6
316.09668	0.9
423.25287	1.1
461.30627	8.2
462.30869	1.3
505.29669	85.8
506.29984	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	505.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.7
55.08118	1.6
56.63778	1.4
57.03453	8.8
59.01386	100.0
70.23288	5.2
71.01389	31.8
72.99325	2.5
73.02953	10.5
82.19039	1.8
83.01409	8.6
83.01862	1.9
85.02961	16.9
87.00886	4.4
89.02457	16.3
95.01375	3.1
97.03013	2.2
99.00872	10.6
101.02439	15.2
101.02905	1.4
107.16285	1.6
113.02469	10.5
119.03513	2.7
125.02448	14.9
125.09779	3.5
131.03519	6.9
143.10818	1.7
149.04562	10.6
151.03960	1.8
161.04552	3.8
171.10341	3.5
185.11865	20.9
191.05579	3.1
213.09288	5.0
255.03078	2.6
257.17731	1.6
271.02518	4.0
282.40884	1.8
300.02823	3.6
301.03720	2.7
301.07184	6.5
329.27005	1.9
343.28818	2.3
355.24966	14.3
361.29507	4.9
373.25937	56.8
374.26309	4.0
401.25473	9.7
419.26581	17.2
445.24573	1.8
457.31390	1.6
461.27594	5.5
463.25320	3.9
505.26675	20.3
505.33551	20.7
506.26614	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	505.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00772	0.8
59.01387	4.0
61.98851	0.8
70.06103	3.1
72.13084	0.8
78.95908	11.8
83.05004	1.0
99.00835	0.9
135.04581	1.5
152.99606	17.0
156.00645	5.4
171.00656	1.6
175.07658	1.1
201.05565	1.1
219.06598	1.0
225.09291	1.6
227.03279	3.2
241.08713	1.0
245.04240	1.5
248.08159	1.0
277.21747	100.0
278.22131	6.0
279.23297	1.7
280.23663	3.9
300.02899	1.8
301.03384	1.1
339.15924	1.2
348.54697	1.0
409.24313	1.0
505.25824	27.6
505.32059	3.8
506.26001	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23372	2.2
59.01385	18.5
71.01395	15.5
71.53290	3.4
72.97553	2.9
72.99300	1.8
73.02947	9.4
75.00883	1.9
83.76273	1.8
85.02946	3.6
87.00894	5.9
89.02456	30.5
101.02467	2.2
103.04019	3.7
113.02464	2.0
119.03551	3.5
125.02415	2.0
131.03508	8.4
134.82516	1.8
149.04575	100.0
150.04909	2.6
163.06154	28.5
178.02751	3.2
193.05118	8.1
194.69685	1.9
202.36188	1.8
204.12592	2.2
234.55693	2.3
243.00845	2.1
470.90289	2.0
505.15082	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	505.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51752	0.6
59.01379	2.0
70.09812	2.9
96.13091	0.7
97.71968	0.8
100.15422	0.7
107.05052	2.3
112.76884	0.8
121.02961	1.9
129.33514	0.6
135.04590	3.3
149.06099	2.6
188.76971	0.8
212.08447	1.1
221.10983	0.6
225.09230	49.0
226.09818	7.3
228.40472	0.7
237.09183	5.4
239.10808	6.9
240.11308	0.7
241.12355	1.6
272.10614	1.6
277.21829	0.8
279.13922	1.6
281.15524	2.8
300.02710	1.2
309.18607	26.9
310.18973	1.2
361.21777	2.1
379.22794	9.8
380.23175	1.4
393.15704	1.2
413.12338	0.7
423.21832	100.0
424.22205	9.9
445.18674	9.2
446.19067	2.0
505.10361	1.5
505.26520	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	505.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23233	0.5
53.33978	0.6
57.03481	0.7
59.01385	100.0
60.01732	1.0
62.76836	0.6
68.82027	0.6
71.01389	8.6
73.02956	3.4
75.00893	2.1
79.10605	0.6
83.01402	0.7
85.02957	3.1
87.00905	1.5
89.02452	6.0
93.03499	0.7
94.06616	0.7
95.01399	0.7
96.96031	5.0
96.97002	0.6
98.95602	3.6
99.00922	1.8
101.02447	4.7
108.02229	0.8
113.02462	4.6
114.05607	0.7
115.92139	0.7
119.03500	0.9
122.06136	5.6
124.07743	0.8
125.02479	1.1
134.13107	0.7
137.06128	0.7
143.03545	0.7
149.04575	1.3
161.04639	1.7
165.01910	0.7
166.05124	2.5
177.04143	1.0
182.02232	0.7
184.06219	2.4
192.10304	0.7
195.05119	4.7
195.06622	1.2
205.12317	1.3
223.06270	0.8
225.07678	2.6
233.06683	0.8
249.06247	0.6
283.10913	0.9
293.08810	1.8
305.61340	0.6
327.08838	2.6
353.67419	0.6
372.49454	0.7
385.18790	3.3
403.19803	2.1
418.23325	0.8
445.21063	2.6
505.13586	0.9
505.20197	1.3
517.98187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21485	1.0
59.01364	1.7
65.41744	1.1
69.49120	7.1
71.01377	6.2
73.02940	5.6
76.29929	1.0
78.09444	1.0
78.47416	1.2
84.09751	1.1
87.00880	2.4
89.02453	26.6
89.41139	1.1
90.81016	1.0
94.57729	1.2
103.02110	1.0
119.36071	0.9
130.32988	1.1
131.03513	8.3
149.04567	100.0
154.65524	1.0
163.06143	7.6
288.99274	1.0
399.05533	1.2
438.79379	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10988	1.0
57.03431	1.5
58.00586	1.0
59.01385	37.9
61.61351	0.9
61.98839	1.3
62.68013	0.8
71.01391	31.2
71.54404	1.1
72.99316	1.7
73.02956	9.9
74.30490	0.8
75.00890	6.7
83.01393	1.8
85.02956	7.9
87.00873	3.7
89.02457	37.1
96.96024	9.8
97.03003	1.0
98.95607	1.9
99.00884	20.7
101.02459	16.2
108.02175	6.0
109.02941	3.1
111.00909	1.5
113.02476	4.9
119.03510	2.3
119.05029	5.4
121.02973	1.1
122.03749	1.7
123.00861	3.3
123.04530	4.5
124.01663	1.7
125.02432	2.9
129.01932	2.6
129.33794	0.9
131.03532	9.6
135.04619	1.2
137.06049	1.3
143.05058	1.6
145.02907	1.3
148.03984	1.0
149.04568	18.8
150.03224	7.6
159.03009	1.3
161.04492	1.4
163.04024	2.9
165.05545	2.3
166.05084	2.0
177.01917	1.6
177.04016	2.8
178.02730	54.9
179.03212	3.2
181.05098	1.7
184.06236	1.5
185.06509	1.9
191.05640	6.9
193.05070	100.0
194.05411	5.4
195.05098	16.7
198.48195	0.9
209.00615	0.9
210.04002	1.1
211.07675	1.3
225.07718	1.9
235.27031	1.2
237.09151	1.6
241.14441	1.5
253.07062	1.9
253.38637	1.0
255.10266	2.9
301.60547	1.0
327.08884	7.6
505.15274	29.7
506.15741	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	505.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96833	0.5
55.01881	1.1
57.03443	1.8
58.00608	0.5
59.01387	27.4
61.98830	0.8
62.48313	0.5
69.03461	0.5
69.18066	1.2
69.18475	3.2
71.01022	0.6
71.01394	10.4
72.99320	1.1
73.02966	4.0
75.00890	0.6
83.01392	2.6
83.05022	0.7
85.02960	5.6
87.00874	1.8
89.02447	4.1
93.03445	0.4
95.01383	1.1
97.02962	0.7
97.06601	0.5
98.19860	0.9
99.00893	1.8
99.04533	0.5
101.02457	8.3
111.00845	1.3
113.02473	4.8
119.03526	1.4
121.02953	0.7
122.03702	1.0
125.02448	0.8
132.02182	1.2
135.00890	0.6
145.02997	0.6
151.00357	0.8
159.02934	0.8
161.04587	2.3
165.05550	0.6
211.03999	1.2
213.09186	2.0
223.04004	0.7
223.13345	0.9
224.04767	1.5
226.02869	0.9
227.13011	0.6
239.03554	3.1
240.04279	1.3
241.14543	0.5
243.03165	0.5
255.03008	1.4
267.03015	3.7
267.06552	0.6
267.12396	0.7
268.03778	37.7
269.04233	2.6
271.02469	3.1
283.06137	100.0
284.06470	5.2
285.04099	0.8
300.02734	4.6
301.03442	2.7
301.06805	0.7
325.07251	1.6
343.28540	1.0
355.24939	0.9
357.26459	2.4
361.29807	0.8
373.25934	11.9
374.26352	0.7
505.09848	3.3
505.17172	0.6
505.34741	13.8
506.34595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10988	1.0
57.03431	1.5
58.00586	1.0
59.01385	37.9
61.61351	0.9
61.98839	1.3
62.68013	0.8
71.01391	31.2
71.54404	1.1
72.99316	1.7
73.02956	9.9
74.30490	0.8
75.00890	6.7
83.01393	1.8
85.02956	7.9
87.00873	3.7
89.02457	37.1
96.96024	9.8
97.03003	1.0
98.95607	1.9
99.00884	20.7
101.02459	16.2
108.02175	6.0
109.02941	3.1
111.00909	1.5
113.02476	4.9
119.03510	2.3
119.05029	5.4
121.02973	1.1
122.03749	1.7
123.00861	3.3
123.04530	4.5
124.01663	1.7
125.02432	2.9
129.01932	2.6
129.33794	0.9
131.03532	9.6
135.04619	1.2
137.06049	1.3
143.05058	1.6
145.02907	1.3
148.03984	1.0
149.04568	18.8
150.03224	7.6
159.03009	1.3
161.04492	1.4
163.04024	2.9
165.05545	2.3
166.05084	2.0
177.01917	1.6
177.04016	2.8
178.02730	54.9
179.03212	3.2
181.05098	1.7
184.06236	1.5
185.06509	1.9
191.05640	6.9
193.05070	100.0
194.05411	5.4
195.05098	16.7
198.48195	0.9
209.00615	0.9
210.04002	1.1
211.07675	1.3
225.07718	1.9
235.27031	1.2
237.09151	1.6
241.14441	1.5
253.07062	1.9
253.38637	1.0
255.10266	2.9
301.60547	1.0
327.08884	7.6
505.15274	29.7
506.15741	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	505.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07805	0.5
57.03451	1.3
59.01388	2.9
59.01654	0.4
63.02401	1.1
63.73498	0.5
67.19278	0.5
67.99885	0.6
71.01389	1.3
73.02964	0.5
73.77274	0.4
81.03461	1.2
83.01412	0.5
83.63068	0.4
85.02956	0.6
88.44939	0.4
91.01908	8.5
98.20717	0.8
101.02429	0.7
108.02211	1.0
122.03751	18.1
125.02461	1.1
137.02452	1.0
139.86098	0.4
156.53743	0.5
169.06580	5.5
169.10243	1.8
171.08156	7.4
185.83217	0.5
195.08160	2.0
209.59435	0.6
211.07567	0.5
213.09224	100.0
214.09570	5.8
237.09207	0.9
239.07144	21.3
240.07477	1.1
249.10757	0.5
257.08249	7.9
258.08499	0.6
327.21490	0.8
373.25961	19.9
374.26505	0.7
419.13446	0.7
461.14560	69.9
462.14865	5.8
505.26584	2.1
505.31604	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01320	1.0
57.03454	1.1
59.01385	91.6
61.98830	1.7
67.08121	0.7
71.01391	10.2
71.55617	0.9
72.99291	1.4
73.02966	3.3
75.00881	3.4
80.73661	0.8
83.01375	1.1
85.02979	4.4
87.00881	2.4
89.02457	5.8
91.74819	0.9
96.88584	0.8
96.96043	1.7
99.00894	2.4
101.02454	5.1
102.17487	0.9
108.02164	1.2
109.02914	1.2
113.02454	4.4
114.79794	0.8
115.00368	0.9
125.02458	1.6
126.55643	1.0
128.38896	0.8
134.03740	1.7
135.00879	1.4
139.07741	0.9
149.04501	2.7
149.06097	1.3
151.00380	1.1
152.03540	2.0
161.04524	2.9
163.04007	1.7
175.02496	1.6
178.51776	0.9
179.12764	0.8
184.05292	2.3
193.08620	0.9
195.04752	1.2
196.05205	1.4
211.03996	4.6
224.04890	1.2
239.03519	13.9
239.05721	1.3
240.04268	4.5
241.14493	1.6
253.05029	2.7
257.73288	1.1
267.02982	13.8
268.03769	57.9
269.04233	3.4
281.04718	5.0
282.05283	4.5
283.06134	100.0
284.06436	6.4
299.09244	1.9
300.02646	1.3
301.06906	1.1
373.14972	1.0
430.08832	1.2
445.11404	19.9
445.20645	1.4
505.12076	1.3
505.19370	7.5
505.26508	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	505.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.4
59.01386	100.0
61.98831	8.1
69.03467	4.4
71.01384	32.3
72.97533	10.1
72.99318	5.1
73.02946	13.1
75.00875	26.0
78.95901	4.0
79.95766	3.2
83.01395	7.5
85.02953	16.2
87.00880	9.0
89.02445	27.5
93.03472	9.5
95.01406	4.4
96.96026	81.9
97.02958	7.5
99.00900	23.5
101.02447	22.9
111.00848	4.3
113.02444	21.5
115.00359	3.8
115.72493	3.2
116.92834	3.5
119.03474	4.8
119.04990	8.5
123.04523	3.1
124.01662	3.3
125.02473	36.8
129.01965	6.8
135.04572	7.0
137.06125	3.8
138.06898	3.6
139.03987	9.4
143.05022	5.4
149.04576	3.8
151.07584	3.5
153.09233	7.7
159.03075	5.3
161.04651	5.6
163.04047	12.4
177.04019	7.9
179.05708	4.5
181.05101	7.8
181.08678	9.6
185.09518	3.8
195.05087	54.0
195.06726	4.1
241.14478	7.8
249.06108	5.3
255.12343	5.4
265.08643	3.9
267.07224	8.8
327.08752	30.0
328.09125	5.6
329.08719	5.1
419.12009	15.7
430.38638	3.9
461.13046	14.2
505.13947	16.7
505.19403	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	505.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
59.01387	1.2
60.39317	0.2
63.71677	0.2
69.86573	0.2
71.55149	0.3
77.03978	0.3
83.05050	0.3
86.85862	0.2
93.03511	0.3
107.01382	0.3
107.05027	0.7
108.02206	0.4
112.83727	0.2
116.92870	0.9
119.05058	0.3
121.02967	100.0
122.03285	2.5
125.03518	0.2
135.04556	0.5
136.01656	0.3
151.00409	1.0
153.09155	0.3
157.06609	0.3
163.00366	0.2
165.05627	0.3
175.07654	3.5
179.05089	0.4
180.05820	0.7
181.06596	3.2
182.07030	0.3
197.06091	2.9
199.07663	0.3
201.05502	0.2
207.04541	0.9
207.08211	0.5
219.06703	0.4
223.04085	0.4
223.07713	0.3
225.05632	2.2
251.07120	0.4
255.02951	0.4
256.08905	0.3
257.09760	0.5
267.06644	0.3
269.08267	0.4
271.02463	0.4
300.02722	0.7
301.03522	0.4
313.07172	5.3
314.07401	0.3
353.21298	0.3
357.06174	0.8
373.10770	0.4
383.07764	1.2
395.98010	0.3
404.03708	0.3
417.09827	10.2
418.10242	0.7
418.59198	0.3
423.17694	0.6
461.12808	0.6
504.25888	0.3
505.11386	7.9
505.18973	2.7
505.25800	0.8
506.11526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.1
56.53410	0.9
57.03454	5.8
58.00592	1.7
59.01384	95.3
61.98848	5.4
66.02472	0.8
69.03459	1.4
69.26118	6.0
69.26521	1.6
71.01387	50.6
72.99314	3.2
73.02955	16.3
74.78900	0.8
75.00871	2.0
77.27822	0.9
81.95255	1.1
83.01395	9.4
83.05028	9.5
83.42298	0.9
85.02957	24.9
85.03466	1.4
85.06613	1.1
87.00892	2.6
89.02451	16.7
95.01389	4.5
97.02959	1.4
97.06594	3.1
99.00889	6.9
101.02454	44.3
109.06563	1.7
111.00906	5.0
113.02454	19.7
119.03507	8.1
121.10291	2.0
123.08166	1.4
125.02441	1.1
131.03485	2.6
132.02188	3.7
135.04497	1.0
137.02422	1.1
137.09657	1.7
141.09209	1.4
143.03511	3.4
147.00847	1.2
149.02457	1.5
152.01109	1.9
153.09204	1.2
159.03047	4.3
161.04578	14.2
163.11235	0.9
164.04796	1.9
167.03592	2.2
167.05040	3.1
175.00333	1.8
179.05629	3.4
179.07095	1.9
183.04536	1.6
185.15433	1.6
195.04535	3.5
196.05348	1.2
209.11864	4.3
209.15492	2.2
211.04094	4.7
211.17101	1.5
212.04871	5.1
213.18614	2.6
219.02721	1.1
223.04012	5.6
224.04813	19.4
227.03636	2.0
239.03497	16.3
240.04269	6.3
241.04929	1.3
251.03436	1.8
255.03099	2.2
256.03836	2.6
267.03012	20.2
268.03769	51.2
269.04398	4.8
271.02597	2.6
282.05368	41.7
283.06116	84.4
284.06522	3.6
285.07748	2.0
300.02808	6.8
301.03464	4.1
313.24179	1.1
343.28522	13.8
347.20850	3.7
357.26477	2.6
373.25974	4.1
442.19556	2.7
445.31857	5.1
461.12451	100.0
462.12750	9.8
463.32901	3.3
505.09903	4.7
505.33966	80.0
506.34479	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	505.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93813	0.2
59.01385	4.7
59.72747	0.2
61.98849	0.7
63.41605	0.2
65.00356	0.3
67.01893	0.2
69.03478	0.3
71.01393	1.3
71.54859	0.2
71.72050	0.1
73.02963	0.4
83.05014	0.2
85.02978	0.7
87.00884	0.3
89.02434	0.2
93.03471	0.6
95.01354	0.2
96.96011	0.3
96.99300	0.2
97.02941	0.2
97.06625	0.3
99.00887	0.3
101.02433	0.6
106.89359	0.2
107.01374	0.2
109.02963	0.2
109.06591	0.2
113.02477	0.7
117.03477	0.9
119.03532	0.3
119.05047	0.3
121.02964	0.7
123.00926	0.2
123.04484	0.2
132.02194	0.5
133.03017	1.0
135.00871	0.3
141.01727	0.4
143.05031	0.8
145.02959	0.6
147.00844	0.2
148.01694	0.2
149.02417	1.4
149.99551	0.4
151.04053	0.2
153.07158	0.2
155.05022	0.2
157.06572	0.4
160.01680	0.4
161.02448	2.7
162.53688	0.2
162.83952	0.3
164.83624	0.2
167.05026	1.4
168.05655	0.2
169.02917	0.5
169.06580	2.0
171.04581	0.9
175.00330	0.2
176.01151	0.5
176.04796	0.6
177.01990	0.3
178.02675	0.2
179.03558	1.5
179.05067	0.3
179.07150	0.5
180.05817	0.4
182.03778	0.6
183.04512	1.7
184.05270	0.8
185.06053	0.8
191.07137	0.4
192.04324	1.1
193.05081	0.3
194.05898	1.9
195.04517	3.3
196.05235	0.9
197.06065	1.3
199.03993	0.6
200.04692	0.2
207.06580	1.6
209.06212	0.4
209.08203	7.3
210.03262	0.5
210.08575	0.3
211.04002	2.7
212.04802	2.2
212.08301	0.2
213.05591	1.7
215.03506	0.6
223.04015	1.8
224.04765	3.5
225.05539	2.8
227.03503	0.7
227.10759	0.4
239.03517	5.7
240.04300	2.8
241.05049	2.3
247.09557	0.2
250.02771	0.3
251.03577	0.6
252.04234	0.9
253.05238	0.9
255.03114	1.6
256.03830	0.3
257.11945	0.4
266.02151	0.5
267.03012	3.5
268.03757	3.3
269.04559	4.6
271.02457	0.5
283.02560	0.5
283.06174	0.6
285.04089	0.4
287.09259	0.4
293.00735	0.2
294.01581	0.2
295.02524	2.0
296.03278	100.0
297.03995	32.7
298.04404	2.1
300.02777	1.2
300.06494	0.5
301.03613	0.5
301.10815	0.5
311.01901	0.6
311.05585	0.7
312.02869	0.9
313.03412	0.2
315.08673	0.5
326.04294	2.1
327.05084	0.8
341.23242	0.4
342.07474	0.8
343.28564	0.3
363.20508	0.5
423.23584	0.3
442.18689	0.2
444.21155	0.2
445.31595	0.4
461.32971	0.3
463.32687	0.3
487.10709	0.2
504.33386	0.3
505.11313	6.7
505.25223	0.5
505.33807	1.5
506.11826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03441	0.7
59.01386	13.5
61.98848	0.6
63.95124	0.4
71.01384	5.9
72.56308	0.4
72.99282	0.5
73.02946	2.4
75.00906	0.4
81.02159	0.4
83.01387	1.2
85.02963	2.4
87.00867	0.5
87.69069	0.3
89.02477	2.8
95.01359	0.5
96.96020	0.4
99.00903	1.0
101.02457	4.0
107.01384	0.4
113.02451	2.6
117.03465	0.5
119.03526	1.0
119.04999	0.7
132.02139	0.4
133.02956	0.5
139.39462	0.3
143.03476	0.4
143.04968	0.8
149.02434	1.0
159.02983	0.5
161.02499	2.2
161.04541	1.9
163.89911	0.4
167.05028	1.6
169.06567	2.3
171.04547	0.5
175.00401	0.5
176.01035	0.4
176.04807	0.9
179.03493	1.5
179.05510	0.4
180.05878	0.5
182.62775	0.5
183.04520	1.5
184.05284	0.5
185.06049	0.6
194.05859	1.9
194.14946	0.4
195.04503	2.6
196.05365	1.0
197.06085	1.3
199.04123	0.5
209.08177	6.5
211.03976	2.7
212.04723	2.4
213.02086	0.4
213.05577	1.4
213.09186	0.8
223.04013	2.7
224.04764	3.5
225.05547	3.1
229.25244	0.4
239.03537	5.7
240.04314	3.0
241.05003	2.5
251.03539	0.4
252.04301	1.0
253.05084	1.2
255.02939	0.6
267.03052	3.0
268.03708	3.4
269.04541	4.1
271.02454	1.0
283.06445	0.8
283.09747	1.3
295.02496	1.5
296.03271	100.0
297.03973	33.1
298.04507	1.2
300.02805	1.6
301.03384	0.6
311.05667	0.5
315.08804	0.9
342.07684	0.5
343.28607	1.4
357.26511	6.2
358.26709	0.6
373.25934	1.3
375.24030	0.5
504.31522	0.4
505.11343	5.8
505.18402	0.8
505.34546	4.4
506.11636	0.5
506.25473	0.5
506.34445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0991
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.29591	0.2
55.01888	0.3
57.03450	0.9
59.01385	15.4
63.02408	0.7
65.00333	1.5
71.01388	3.6
71.05042	0.2
71.55541	0.3
72.99332	0.6
73.02953	1.4
81.03470	0.2
83.01379	1.0
85.02950	1.3
87.00877	0.7
88.84032	0.2
89.02445	1.8
91.01904	0.4
93.03490	0.3
95.01402	0.4
96.96006	0.2
99.00915	0.4
99.04580	0.2
101.02460	1.4
103.23244	0.2
107.01398	3.4
108.02201	1.7
109.02979	2.0
113.02456	1.5
119.01369	0.3
119.03511	0.4
120.02195	0.2
121.02955	2.7
122.03778	0.3
123.04539	0.3
124.01673	0.4
125.02468	0.7
131.03522	0.3
132.02180	0.3
134.03697	0.3
135.00883	1.1
135.04541	0.4
137.02397	0.3
137.09689	0.2
139.04030	0.3
145.02989	0.3
147.00974	0.2
148.01694	2.1
149.02443	0.5
149.04543	1.0
151.00378	11.9
152.00766	0.3
153.01959	0.3
153.09229	0.3
159.04573	0.4
160.01640	1.3
161.02458	0.7
161.04665	0.4
163.00398	1.9
164.01186	1.0
169.01378	0.3
171.04575	0.3
174.03246	0.3
175.04002	2.1
178.99876	5.3
179.10788	0.5
181.08673	0.3
181.12486	0.2
183.04480	0.7
187.04053	0.6
189.05734	0.2
190.99899	0.4
192.00616	0.4
193.05025	0.3
195.04955	0.2
197.04536	0.3
197.11859	0.6
198.03226	0.3
199.03947	1.4
201.01880	0.5
201.05518	0.4
203.03548	0.7
211.03995	1.7
211.07620	0.3
212.07901	0.3
213.01929	0.3
214.02538	0.3
215.03546	0.8
216.04242	0.4
223.09790	0.3
223.13528	0.3
226.02704	1.5
227.03493	3.9
229.01460	0.3
229.05084	0.7
239.03497	0.5
240.04320	0.2
241.10788	0.5
243.03000	12.6
244.03551	0.8
245.04459	1.2
254.02238	1.9
255.03003	29.7
256.03433	2.2
257.04565	0.4
271.02493	62.3
272.02939	5.2
273.03952	1.0
283.02533	1.4
297.00436	0.2
298.00974	0.3
298.69916	0.3
299.01981	3.0
300.02768	100.0
301.03513	47.7
302.03894	2.7
313.03561	0.5
327.05127	0.3
343.08228	0.3
359.09787	0.3
373.14819	0.3
373.22382	0.4
387.23734	0.3
445.07733	2.5
445.24661	0.5
446.08032	0.3
452.61038	0.2
461.14093	1.4
461.20102	0.4
463.08951	2.1
464.09317	0.2
473.16885	0.3
490.11282	0.3
505.09872	56.1
505.18777	1.7
505.25732	3.8
506.10168	5.0
506.26767	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0991
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.51409	0.1
55.59702	0.1
58.51459	0.1
59.01385	3.6
63.02399	0.5
64.70436	0.1
65.00323	1.3
69.27067	1.1
69.27482	0.3
71.01385	1.2
71.05042	0.1
72.99324	0.3
73.02960	0.5
81.03457	0.1
83.01394	1.0
85.02975	0.4
87.00886	0.2
89.02444	1.3
90.02775	0.2
91.01910	0.4
91.02895	0.2
93.03462	0.3
98.19930	0.3
99.00909	0.3
101.02483	0.8
102.02753	0.1
107.01405	3.3
107.02131	0.2
108.02203	1.7
109.02957	1.8
113.02473	0.3
119.01383	0.3
119.03516	0.2
120.02161	0.2
121.02959	1.7
123.00893	0.2
124.01652	0.4
125.02462	0.4
131.03552	0.3
135.00911	1.0
137.02434	0.2
139.00401	0.1
143.05006	0.2
145.03069	0.2
148.01675	2.0
149.02458	0.4
149.04553	0.8
150.04874	0.2
151.00383	11.5
152.00945	0.3
153.01941	0.3
155.05093	0.2
159.04463	0.4
161.02501	0.2
163.00407	3.1
163.04080	0.2
164.01138	0.9
165.01952	0.2
169.01434	0.4
171.04515	0.2
173.02444	0.2
174.01807	0.2
174.03242	0.3
175.04050	0.3
177.01889	0.2
178.99881	5.1
183.04559	0.5
185.02541	0.1
187.03978	0.7
188.04697	0.2
190.99969	0.4
191.03654	0.2
192.00632	0.7
193.01457	0.2
198.03241	0.5
199.03995	1.3
200.04723	0.2
201.02048	0.3
201.05556	0.5
202.02728	0.2
203.03589	0.5
211.04022	1.3
212.04419	0.2
213.01933	0.3
213.05374	0.1
214.02763	0.2
215.03502	0.9
216.04289	0.4
217.05016	0.2
226.02721	1.9
227.03502	4.2
228.03995	0.3
229.01491	0.3
229.05013	1.0
239.03552	0.5
239.34058	0.2
240.04199	0.3
241.04372	0.2
242.02312	0.2
243.02983	13.7
244.03647	0.7
245.04520	1.6
251.07687	0.2
254.02248	2.3
255.02997	31.5
256.03415	1.9
257.04190	0.2
271.02484	67.6
272.02939	5.4
273.04056	1.1
283.02417	1.3
284.03268	0.5
285.03607	0.5
286.03909	0.4
288.60947	0.1
299.01999	1.3
299.05566	0.6
300.02759	100.0
301.03467	43.8
302.03903	2.3
343.04520	0.6
387.16504	0.2
393.42331	0.1
445.07837	0.3
463.08881	3.1
463.84662	0.1
479.96204	0.2
505.09888	61.3
506.10205	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	504.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48846	1.3
57.03450	3.4
59.01381	19.7
61.98836	100.0
71.01389	15.2
73.02943	7.1
75.00882	1.3
80.05069	5.8
83.01391	2.3
85.02955	9.8
87.00886	1.9
87.04493	1.1
89.02442	2.8
93.03427	1.7
93.07116	1.1
95.01367	1.8
99.00900	1.5
101.02453	10.8
102.55073	1.3
104.05077	1.2
106.06709	1.4
107.03773	1.9
113.02446	9.2
114.02757	1.4
122.06135	10.7
130.06653	1.4
132.04642	1.5
134.06131	4.8
136.07657	1.4
137.02448	3.1
143.03430	1.3
146.06117	1.9
150.56459	1.3
152.07173	22.9
158.52704	1.3
161.04561	3.6
163.04037	7.3
174.05537	1.4
178.06380	8.0
180.06659	2.3
185.11835	2.2
188.07204	13.2
189.64482	1.2
193.08717	12.5
227.11961	1.3
229.18094	1.9
230.18434	1.3
237.10254	1.3
238.07289	2.2
245.12779	2.8
251.08234	1.8
253.09769	3.9
265.09879	2.0
267.11316	4.1
271.02350	1.7
279.07813	2.2
294.09900	1.9
295.10843	16.9
300.09283	1.4
307.10904	7.6
323.10376	1.9
355.24960	1.3
359.27945	2.1
371.24478	5.4
372.24585	4.9
373.22037	1.5
373.26047	13.2
418.17722	1.2
432.19629	2.3
460.18811	35.8
461.19324	2.6
503.32211	4.1
504.17981	19.6
504.32562	4.5
505.10092	1.6
505.18991	2.1
505.26889	4.8
505.33987	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	503.302
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
56.44789	0.5
57.03439	2.4
59.01380	5.0
61.96951	0.5
61.98818	1.0
69.03462	6.7
69.61289	3.6
71.01399	1.2
73.02944	0.5
79.64297	0.6
81.03480	0.6
83.05029	0.9
85.02938	0.6
98.19858	1.1
104.76894	0.5
106.80581	0.6
107.05054	3.1
109.06597	57.6
110.06924	0.9
116.17137	0.6
125.09720	1.2
187.39864	0.6
209.36821	0.5
211.36406	0.6
231.02301	0.6
255.85699	0.5
289.21741	2.4
299.41666	0.6
313.21738	1.1
327.23376	1.8
329.24860	26.1
330.25308	1.8
331.22629	0.7
355.26431	0.7
357.27994	19.9
358.28284	2.3
365.24991	0.9
383.25900	12.9
384.26111	1.3
401.26968	54.7
402.27240	4.9
441.30325	0.6
445.26001	21.8
446.25955	2.0
459.31192	21.7
460.31464	2.2
503.30167	100.0
504.30600	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	503.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03455	2.0
58.00593	2.6
59.01385	74.6
60.01703	0.4
65.72315	0.3
69.03477	1.0
69.47187	1.9
69.47601	0.8
71.01389	51.5
72.01715	0.7
72.99307	2.7
73.02953	15.7
73.16476	0.3
75.00890	1.0
81.03443	0.4
83.01402	2.3
85.02956	7.6
86.81617	0.5
87.00881	1.7
89.02453	100.0
90.02788	1.2
95.01389	1.5
97.02956	1.5
99.00890	28.4
99.04503	0.6
101.02453	36.8
102.02787	0.8
109.02967	0.4
113.02460	11.0
115.04088	0.8
119.03513	6.2
121.03000	0.5
125.02464	4.9
131.03513	19.4
132.03831	0.7
143.03510	2.5
148.01689	0.9
149.04570	68.7
150.04887	1.0
161.04593	4.0
176.01097	0.5
179.05621	0.8
183.04503	0.6
183.10265	0.4
191.05623	15.3
191.10684	0.4
192.06070	0.7
211.03961	1.5
211.07666	0.4
212.04736	0.4
221.06705	2.8
227.03502	1.9
228.04219	1.1
233.06647	1.0
239.03487	1.5
240.04320	3.6
243.02994	0.4
251.07686	4.3
251.23360	0.4
253.71646	0.3
255.03003	3.7
256.03690	1.4
283.02554	3.3
284.03293	15.9
285.03647	0.9
293.08728	1.3
298.04819	1.9
299.05627	30.2
300.05927	1.9
311.10043	0.8
422.37259	0.4
443.09894	1.7
503.11972	3.9
503.25687	2.1
529.08856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45859	1.4
55.01868	4.1
57.03439	7.9
58.00592	2.0
59.01385	100.0
60.01725	1.8
64.21558	1.4
69.03453	2.8
69.24997	13.9
71.01021	2.2
71.01395	38.8
71.05019	2.9
72.99309	4.1
73.02950	16.0
83.01379	11.2
83.05042	2.6
85.02959	24.4
87.00877	4.4
87.04539	4.2
89.02449	10.4
93.07082	1.8
95.01402	4.8
97.02966	2.4
97.06571	2.7
98.08509	1.4
99.00885	5.4
99.04522	3.2
101.02454	29.3
111.00879	2.9
113.02464	20.1
119.03526	2.3
121.10226	1.8
125.02437	2.4
125.09713	1.7
127.11290	1.7
129.01924	1.5
131.03462	2.8
137.09721	3.5
143.03474	2.6
153.09203	1.9
155.10754	2.1
161.04578	9.4
165.07108	1.7
168.16878	1.5
171.10208	1.6
171.13972	2.6
199.13300	1.8
201.14970	3.9
209.06084	10.5
211.04317	1.6
265.17874	2.7
297.14926	1.7
311.22168	2.0
315.18103	1.5
327.25308	3.0
333.19067	1.7
341.23221	4.5
341.26901	2.1
342.08865	1.6
345.19238	2.7
353.23276	4.2
355.24738	5.6
359.28006	7.8
371.24393	65.7
371.29111	3.3
372.24762	5.4
373.22226	2.5
391.23120	2.1
399.23819	2.0
417.24939	4.8
424.59930	1.7
443.25983	2.2
485.31500	2.2
503.18216	1.9
503.32907	50.8
504.32321	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	503.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32745	0.4
59.01387	100.0
60.01711	0.8
61.98833	1.8
69.03485	0.5
69.46539	1.7
69.46963	1.7
71.01407	1.5
73.02975	0.8
83.58949	0.4
96.96040	0.6
96.99301	0.5
99.04578	0.9
109.06621	2.0
121.02991	0.5
123.04555	0.7
133.02968	20.3
134.03250	0.5
160.84271	0.5
172.78056	0.5
176.70378	0.5
223.07404	0.5
224.08566	0.8
239.10800	34.4
240.11243	1.6
384.94299	0.5
399.64828	0.6
459.31488	1.7
503.31036	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	503.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82557	2.6
53.99663	3.1
57.03432	5.6
58.60425	2.8
59.01118	5.3
59.01390	83.9
71.01394	28.0
71.54038	4.2
71.59361	2.9
72.99316	5.9
73.02948	7.9
75.00875	6.3
83.01386	5.8
83.05018	5.6
85.02964	12.0
87.00867	7.7
89.02452	25.1
93.03428	6.2
95.01382	3.8
96.95467	3.4
96.96024	35.0
98.30588	3.0
99.00858	3.6
99.04498	3.9
101.02440	21.8
103.00370	3.6
109.02956	3.4
113.02455	16.2
119.03513	7.1
119.05063	18.2
121.06647	3.3
123.08168	8.6
125.02377	3.1
125.06090	4.0
127.34974	2.7
129.01953	3.4
133.02966	3.4
134.03683	6.7
134.95197	3.0
135.04488	12.2
137.02495	5.1
143.03600	3.0
152.07181	3.5
161.02470	4.1
161.04585	5.9
163.03996	7.3
164.04787	5.1
169.20871	3.0
171.11801	13.9
172.40900	2.8
177.04042	5.3
179.03612	6.7
179.05630	5.6
181.05009	3.3
183.15466	3.1
193.05008	12.3
203.03467	3.0
223.06145	3.5
237.14977	18.0
281.10391	15.6
281.13916	100.0
282.14426	4.9
299.11182	6.8
305.13940	8.0
323.15057	6.0
325.28851	3.3
341.08734	4.8
341.12399	5.0
357.10526	3.6
503.12704	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	503.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.8
73.02943	1.3
75.00854	0.8
82.67494	0.7
85.02941	1.5
87.00883	0.8
90.94301	0.7
91.27863	0.7
98.43803	0.6
101.02414	0.8
109.02947	2.6
113.02476	2.0
133.02983	1.3
149.19864	0.7
156.97769	0.7
157.06628	0.9
160.01677	1.4
169.06593	1.6
185.06097	2.7
195.04393	0.9
197.06107	3.2
198.03241	5.2
199.04042	1.6
213.05588	12.7
223.04063	2.2
225.05609	2.4
226.02827	2.2
227.03458	1.0
230.18503	1.0
239.07091	1.9
241.05052	7.2
251.03456	4.0
252.04333	1.6
254.02289	5.9
269.04568	65.2
270.04861	2.4
284.06915	100.0
285.07257	6.3
299.09268	57.9
300.09610	3.2
371.24585	1.7
483.24667	1.0
503.21109	1.3
503.32886	1.8
520.63000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
59.01382	11.2
61.71866	0.8
61.98823	1.3
69.73141	4.7
71.01383	6.6
73.02954	1.8
73.41459	0.7
75.00872	2.3
77.60900	0.8
78.95927	4.7
79.95742	3.5
81.51360	0.8
83.01376	1.0
85.02946	3.4
87.00885	2.1
89.02456	3.6
96.96017	100.0
96.96913	7.1
97.02955	0.8
98.02494	0.8
98.19950	1.1
98.95636	1.0
99.00912	1.0
101.02460	2.8
106.04813	0.7
113.02452	3.8
117.28857	0.8
119.05047	1.2
120.75797	0.7
121.03025	0.9
125.02470	1.2
129.86777	0.8
133.02953	1.5
134.03784	1.2
135.04575	3.7
138.05598	4.9
139.05946	1.9
143.03523	1.0
149.02449	3.0
151.03989	1.0
161.02435	3.4
161.04491	1.1
163.04005	1.9
164.04793	3.1
166.05113	0.9
179.03525	2.0
179.05641	0.9
179.07130	2.4
184.06206	0.9
190.02737	2.6
193.05087	0.9
205.04964	1.9
208.03860	1.9
221.04425	1.0
223.06140	7.6
252.36531	0.8
300.91766	0.8
337.07642	0.8
338.07947	1.0
395.07724	0.9
503.11884	5.6
503.18970	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	503.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91581	0.8
57.03435	1.4
59.01385	9.3
59.63454	0.7
60.64175	0.9
61.98839	3.8
65.40318	0.8
65.91893	0.8
71.01399	5.2
71.54295	1.7
71.58147	0.7
73.02950	1.1
75.00885	1.3
78.95902	3.6
79.95747	4.2
85.02954	3.0
87.00868	1.5
89.02447	2.4
93.03442	1.3
94.40505	0.8
96.96022	100.0
96.96923	7.4
99.04517	1.4
101.02451	1.4
106.66668	0.9
113.02448	2.5
119.03551	1.0
119.05040	1.4
121.02979	1.9
129.01984	1.0
130.68582	0.8
134.03734	1.3
135.04514	1.8
149.02467	11.2
152.01189	1.2
163.04106	0.8
164.04788	10.4
175.00450	1.1
175.03923	1.1
179.03526	1.0
179.05753	1.2
179.07108	5.5
179.36069	1.0
190.02742	2.9
193.01404	1.7
193.05045	1.3
194.34012	1.0
195.05203	1.0
205.05057	2.7
208.03758	5.6
223.06139	30.6
239.09384	0.8
244.98067	0.9
245.96443	0.9
253.07393	0.8
281.13669	1.0
283.06128	1.2
310.15131	1.0
311.05493	1.9
385.11215	2.3
431.09824	1.1
503.18573	5.9
504.18277	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	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.6
57.03444	2.3
58.73469	0.7
59.01382	33.6
61.98833	1.8
70.67671	2.2
71.01385	13.4
72.99316	2.3
73.02953	2.7
75.00877	44.9
83.01392	1.7
83.05040	1.1
85.02946	7.1
87.00881	2.6
89.02444	9.0
91.95889	0.7
93.03458	2.3
95.01374	1.6
96.96012	8.4
97.02988	0.8
99.00890	2.1
101.02467	6.3
103.00368	1.1
111.00935	0.7
112.98846	0.7
113.02454	6.8
117.01914	1.3
119.03484	3.4
119.04977	0.7
125.02466	1.4
129.01953	10.2
133.05035	4.0
134.03757	1.2
135.02985	1.1
137.02438	4.8
147.03055	3.4
149.04594	1.7
160.01656	1.5
161.02440	0.7
161.04572	2.7
163.04048	1.1
164.04819	0.9
165.04051	100.0
166.04393	1.5
175.00404	2.3
175.04031	1.7
179.05605	2.5
190.02782	3.8
191.02043	1.4
193.05014	1.4
195.05092	6.7
205.05095	4.1
211.07625	0.7
223.06140	1.9
235.06044	1.2
249.06133	1.4
255.03067	0.9
269.10321	1.1
281.13965	1.0
283.02533	1.7
283.05765	1.0
284.03287	1.6
299.05615	2.8
311.05545	2.7
311.11337	1.1
341.06879	1.2
369.08258	1.0
383.07709	1.6
383.12100	1.0
431.09988	1.7
436.59683	0.7
443.23019	1.1
450.50986	0.9
459.12378	0.9
503.12024	6.2
503.18433	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	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.7
57.90865	0.8
59.01386	7.5
68.82821	0.8
68.99850	0.8
69.03466	1.1
71.01389	12.6
71.30855	1.0
71.31185	1.6
72.52902	0.9
72.99283	2.5
75.00471	1.8
75.00880	25.7
83.01418	1.5
84.02195	1.3
85.02962	12.9
87.00879	9.0
89.02441	4.8
96.96017	3.3
97.02907	1.2
99.00888	5.1
101.02463	2.2
116.05067	1.7
119.05042	76.6
120.05406	2.7
129.01959	14.8
133.06625	1.6
145.02956	6.1
159.02946	2.5
161.06070	1.6
163.04025	73.6
164.04349	2.2
177.04059	74.9
177.12044	1.0
178.04430	2.1
195.05093	3.9
203.08315	6.0
205.05078	2.2
245.42189	0.9
252.70569	1.2
256.61838	0.9
305.06827	1.0
318.07770	1.2
323.07779	9.5
325.09326	3.1
341.08749	5.2
503.14096	100.0
504.14557	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	503.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06467	1.0
50.68428	0.9
51.15885	1.0
54.89117	1.0
57.03447	5.3
59.01387	9.0
61.14263	1.0
62.29882	0.9
64.19939	0.9
69.03459	1.5
70.28694	3.2
71.01392	15.0
72.99340	1.3
75.00880	33.0
75.01311	2.1
75.99198	1.1
85.02956	12.4
85.25822	1.0
87.00890	10.1
89.02460	2.5
96.96019	3.8
97.02964	2.0
99.00883	6.4
101.02413	1.8
117.03468	2.4
119.05039	71.1
120.05357	2.7
129.01964	11.7
133.06570	1.4
141.01991	1.8
145.02953	17.6
159.03040	3.0
161.06087	3.0
163.04027	63.5
164.04398	2.3
177.04057	57.4
178.04366	1.8
190.79697	1.1
195.05104	8.2
205.05064	5.6
261.07629	2.8
273.53986	0.9
305.06686	2.2
311.05606	1.1
323.07758	21.8
325.09277	2.0
341.08859	9.5
467.12155	7.7
468.12729	1.6
503.14114	100.0
504.14615	8.0
504.59372	1.2
518.70776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.4
57.71122	1.0
58.62427	1.0
58.85573	1.0
59.01389	30.8
68.24189	1.1
69.03446	1.4
70.00943	4.8
71.01395	16.5
71.81003	1.0
73.02964	5.2
75.00862	1.8
83.01397	3.1
85.02955	8.1
85.06606	1.4
87.00891	1.6
89.02438	3.3
90.93068	1.1
93.07085	2.1
95.01418	1.5
97.02960	2.9
99.00906	2.1
101.02463	6.3
102.12134	1.0
108.02107	1.1
109.02987	1.0
113.02462	7.3
115.00391	1.1
121.02948	4.6
123.00906	1.2
125.02462	1.4
132.02168	1.1
133.03001	8.2
135.00877	1.4
135.04518	1.1
137.02431	1.6
137.09723	1.2
141.01993	1.3
149.04541	2.8
154.28506	1.3
161.04578	2.9
165.06985	2.3
167.05067	1.4
169.06561	1.7
177.01990	5.7
178.02652	1.9
197.06175	1.9
208.05354	1.3
209.06169	10.0
211.04352	1.2
211.07660	23.7
212.08052	1.2
212.47604	1.1
223.03996	1.1
224.04803	1.4
225.05760	1.9
227.03497	2.2
227.16467	1.4
229.18129	5.2
237.05757	5.0
238.10403	1.3
240.04237	1.4
251.03551	1.3
251.07304	2.1
252.04234	2.7
253.05081	25.9
254.05568	1.8
255.03026	26.3
256.03589	3.2
267.06631	4.3
269.04550	9.0
279.03516	1.0
279.06607	3.4
281.04575	100.0
282.04901	6.5
282.08969	2.3
283.02499	15.9
284.03226	16.0
284.62631	1.2
285.03326	1.3
294.05341	1.8
297.04077	4.1
298.04871	15.9
299.05640	35.6
300.05933	2.9
309.07599	1.5
322.08182	1.4
323.05655	4.9
326.08020	2.2
338.07852	3.0
341.10318	9.1
353.10321	13.8
359.27951	2.3
371.11313	2.4
371.24457	4.8
373.22351	3.4
391.23337	2.4
459.13123	10.7
461.10504	1.7
488.09445	1.3
503.11719	18.6
503.25534	2.5
503.32550	12.1
504.12119	2.1
504.32547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.0
57.03461	9.2
58.00592	1.4
59.01388	100.0
60.01716	1.2
69.03461	2.8
69.68868	8.1
71.01392	43.3
72.99313	3.1
73.02960	16.7
75.00889	4.3
76.78313	1.2
81.48414	1.3
81.89445	1.3
83.01399	11.9
85.02966	24.7
87.00880	5.5
89.02454	11.3
90.98038	1.7
90.98608	30.9
91.01899	1.5
93.03481	1.9
93.07129	6.1
95.01408	4.7
96.96020	1.8
97.02960	2.6
97.06551	2.1
99.00900	5.6
101.02458	31.7
109.02967	4.6
109.06596	1.7
111.00897	3.9
112.01613	1.9
113.02465	23.1
119.03547	2.8
125.02454	3.6
129.01965	1.7
131.03490	2.2
135.00873	2.3
135.03014	1.6
143.03532	4.2
143.10767	1.7
149.04572	6.2
151.00391	1.5
159.03000	1.8
161.02457	2.9
161.04565	11.0
163.00339	1.9
179.10828	2.0
197.93073	1.3
208.05080	1.5
209.06107	3.3
210.06477	1.7
215.63438	1.5
227.07123	8.2
229.18028	9.1
237.05591	47.6
238.05952	2.7
239.07126	1.8
239.10838	2.1
240.04297	2.5
255.02997	5.3
255.06764	2.0
256.03943	3.3
267.06671	20.5
279.06677	2.3
281.04813	1.4
281.08200	4.0
282.09018	5.5
283.02426	4.8
284.03275	16.1
294.05551	1.4
294.08783	2.0
297.04218	2.7
297.11395	5.1
298.04742	2.0
299.05618	37.6
309.07834	2.0
311.05649	2.7
323.05515	2.7
326.07947	2.5
326.47995	1.4
338.07959	1.8
341.06683	1.0
341.10342	23.6
341.14139	3.0
346.84177	1.4
353.10349	11.5
355.25082	1.4
359.28009	3.7
371.11438	3.5
371.20532	3.0
371.24438	11.1
373.22311	9.6
391.23370	8.8
459.13019	26.7
460.13168	2.9
503.11713	4.8
503.24979	13.9
503.32242	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	503.1199
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
52.80258	0.3
53.02159	0.3
54.97568	0.3
57.03461	0.6
59.01387	4.3
69.32257	2.8
73.02955	0.5
75.00877	0.5
85.02969	0.9
87.00932	0.5
89.02457	2.5
96.96026	0.9
98.00076	0.4
99.00904	0.8
101.02474	1.6
108.02227	0.5
113.02464	0.7
113.99659	0.5
119.03445	0.4
126.61178	0.3
131.01363	0.4
139.11281	0.4
148.01662	2.3
149.04593	1.4
154.58244	0.3
175.00412	0.8
176.01167	1.1
183.04509	1.8
183.10252	1.2
191.05679	0.6
195.04863	0.9
199.04047	1.2
200.04832	1.3
204.04257	0.3
211.04004	3.9
211.07620	1.5
212.04836	2.6
223.04018	0.7
227.03520	5.7
228.04308	5.5
237.05602	0.6
239.03493	6.1
240.04294	12.4
241.04434	0.4
243.02980	0.6
255.03011	8.0
256.03769	6.1
267.02850	0.7
271.02399	0.5
272.03265	1.3
283.02487	5.2
284.03287	50.4
285.03632	3.3
298.04880	0.8
299.05618	100.0
300.05939	6.6
329.13907	0.4
341.02997	0.5
459.13004	1.1
502.59296	0.3
503.11469	2.2
503.17853	4.4
503.24527	0.5
504.11700	0.5
504.18329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10446	0.3
57.03448	0.6
59.01387	4.7
65.03936	0.3
71.01393	2.2
71.55505	0.3
73.02948	1.3
83.01389	0.4
85.02946	1.3
87.00908	0.3
89.02442	0.6
93.03454	0.7
95.01408	1.5
99.00880	0.4
101.02438	1.0
105.03468	0.5
108.02224	0.6
109.02953	3.0
113.02434	1.6
117.03455	0.5
121.02945	0.9
123.00896	3.4
124.01675	0.8
125.02406	0.7
129.07068	0.3
132.02191	0.3
133.02965	1.2
135.00934	0.4
136.01648	0.9
137.02461	3.5
138.02777	0.4
145.02954	0.6
147.04562	0.7
149.02441	1.4
157.06638	0.5
159.04520	0.3
160.01668	0.5
161.02469	6.5
161.04552	0.7
163.04138	0.3
167.05092	0.3
169.06488	0.3
172.05338	0.4
173.06096	0.9
175.03993	0.7
180.05826	0.5
181.06578	1.6
183.04562	1.5
184.05254	0.3
185.06041	2.0
187.07658	0.6
191.64342	0.4
195.04436	0.4
196.05356	0.4
197.06139	1.9
199.03926	0.5
199.07677	0.9
200.04710	0.6
201.05608	0.7
207.04391	0.4
208.05237	0.3
209.06084	3.3
211.04022	1.5
213.05612	1.1
215.07161	0.7
223.03944	0.5
224.04813	0.6
225.05606	5.7
226.06128	0.6
227.03502	1.1
227.07114	1.2
228.04300	0.5
229.05138	0.5
237.05579	1.3
240.04317	0.3
241.05106	0.7
243.06699	0.8
251.03453	0.4
252.04234	0.7
253.05086	9.1
254.05504	0.4
255.02995	1.4
255.06696	0.6
256.03799	1.5
269.04568	0.7
270.05341	7.1
271.06131	14.5
272.06433	0.9
281.04578	3.5
282.04987	0.4
283.02545	0.6
284.03180	0.5
298.04907	1.0
299.05627	100.0
300.03168	0.2
300.05957	6.4
341.26801	0.3
359.27994	0.8
371.24384	1.2
503.11993	1.4
503.32660	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1198
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.25297	0.2
55.01876	0.7
57.03436	1.1
57.03685	0.2
58.00589	0.9
59.01384	28.7
61.08134	0.2
69.39214	1.5
69.39630	0.5
71.01386	21.7
72.99310	1.2
73.02955	6.4
75.00871	0.9
81.03445	0.3
83.01394	0.9
85.02962	3.5
87.00861	0.9
89.02453	35.5
90.02789	0.3
95.01394	0.5
96.96009	0.3
97.02960	0.7
99.00889	11.0
99.04530	0.5
101.02451	14.3
108.02181	0.2
109.02931	0.3
113.02457	4.2
115.04029	0.3
119.03497	1.7
123.00824	0.4
124.01588	0.2
125.02462	1.9
129.01933	0.4
131.03514	6.7
133.02937	0.3
135.03000	0.4
135.04533	0.3
136.01704	0.3
143.03477	0.8
148.01653	2.4
149.04567	26.1
150.04877	0.7
161.04565	1.4
171.04567	0.6
172.05463	0.3
174.03270	0.3
175.00368	0.7
176.01169	1.2
177.03984	0.4
178.99821	0.3
179.05609	0.4
183.04547	1.8
184.05251	0.4
187.04124	0.3
187.07579	0.3
191.05632	6.0
195.05098	2.2
199.04036	1.2
200.04799	1.4
202.06219	0.3
211.04033	4.1
212.04784	2.7
221.06662	0.8
221.11829	0.3
223.04002	0.7
227.03499	5.6
228.04305	5.0
238.02838	0.5
239.03490	5.5
239.05717	0.4
240.04274	12.0
241.04620	0.5
243.03004	0.8
251.07738	1.7
255.03001	11.2
256.03751	5.2
257.04291	0.4
267.03113	0.7
272.03293	0.9
283.02505	11.0
284.03268	51.3
285.03607	3.0
293.08804	0.5
298.04834	3.6
299.05615	100.0
300.05948	6.0
311.09760	0.4
341.02975	0.8
443.09903	2.7
461.10941	0.3
485.16763	0.5
503.12180	12.4
503.18677	0.6
503.25870	1.3
504.12686	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	502.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25852	1.0
52.06063	1.0
54.69184	1.1
54.98796	1.2
59.01394	1.9
61.98837	100.0
69.56902	3.5
69.57318	4.2
120.21878	1.3
124.68725	1.3
223.75281	1.2
233.23712	1.4
277.21506	1.3
282.27570	1.5
301.24844	1.2
307.77734	1.3
332.10043	1.4
420.18982	1.8
451.59320	1.2
484.21960	7.2
502.22919	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	502.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.1
59.01383	0.4
59.60484	0.1
69.03460	0.5
69.71346	0.3
71.01382	0.6
72.99313	0.6
81.03458	1.0
83.05029	4.7
84.05390	0.1
85.02965	0.1
89.02447	0.3
89.91890	0.1
99.00895	0.1
101.02457	0.2
109.02979	0.2
110.06145	0.2
110.33347	0.1
111.06907	3.2
113.02480	0.1
119.03513	0.1
124.92528	0.1
126.09258	25.9
127.09609	0.8
128.10823	1.6
139.06421	0.1
149.04652	0.1
154.08746	1.1
158.08226	0.1
159.63828	0.1
160.06108	0.1
170.08257	0.7
172.09796	1.1
177.50006	0.1
179.05649	0.2
186.11392	0.8
202.10921	0.2
204.12411	100.0
205.12744	3.3
213.70097	0.1
271.32477	0.1
297.12064	0.3
323.07944	0.1
443.18118	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	501.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76378	0.6
59.01386	100.0
61.86483	0.7
61.98834	1.3
66.37976	0.7
71.25675	1.5
75.00874	1.0
85.33144	0.6
87.19499	0.6
107.74967	0.6
109.54949	0.7
119.83607	0.6
121.03015	0.7
135.04549	0.6
177.05559	0.7
205.05060	2.0
224.79376	0.6
252.80603	0.7
501.29199	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	502.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01374	1.2
61.98837	100.0
69.80788	0.9
71.41933	1.0
71.54932	1.6
72.08071	1.0
94.60500	1.1
123.04550	1.5
124.01677	5.0
143.18796	0.9
159.00502	1.0
165.01936	1.2
167.49307	1.1
175.04010	2.0
177.01993	4.9
199.04068	1.5
201.12846	1.3
219.06604	4.1
240.04295	2.0
255.63425	1.1
256.03793	1.2
261.14978	15.7
261.96045	1.1
277.21744	1.4
287.12857	3.0
289.14389	3.2
315.12445	2.6
317.13812	1.6
343.73053	1.2
377.17758	1.1
395.18332	1.7
411.18170	1.8
421.16629	17.8
422.16739	1.1
434.40488	1.2
439.17688	28.2
440.17880	3.7
503.33981	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79244	0.6
57.03453	1.2
59.01385	100.0
60.01725	0.8
69.40026	5.3
71.01394	4.8
73.02968	3.0
75.22672	0.8
83.01365	0.9
85.02986	2.2
87.00925	1.0
89.02460	2.3
93.03500	4.0
98.20599	1.3
101.02463	3.2
113.02491	2.3
119.03524	0.8
124.05310	0.8
137.02480	5.9
149.06136	0.9
163.04073	0.7
165.05586	5.2
178.57315	0.7
179.42819	0.7
183.04599	1.0
193.05203	0.9
195.04617	1.1
211.04099	0.9
239.03465	5.0
254.05946	2.5
255.02942	1.4
263.12921	1.5
267.03210	1.0
267.06699	2.3
282.05399	11.1
283.02603	1.2
284.03464	0.8
295.06128	4.4
297.07666	14.2
307.06238	1.8
324.85483	0.8
369.22916	1.6
397.22507	3.9
399.24503	0.8
403.66940	0.8
415.23486	2.3
457.11441	1.1
501.23654	0.8
501.31082	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27253	3.2
54.36008	3.1
57.03443	7.5
59.01385	100.0
69.36739	2.8
71.00996	4.9
71.01389	39.3
71.55382	4.8
73.02956	15.0
75.00881	4.6
83.01402	7.2
83.05013	3.3
85.02959	15.1
87.00899	4.5
89.02450	22.1
90.15366	3.7
91.41724	3.1
96.96017	4.4
97.06585	3.3
99.00879	3.8
99.04520	6.2
101.02484	17.4
108.64297	3.5
113.02473	14.5
121.06611	6.8
130.08742	3.6
131.03459	5.6
135.03020	7.0
136.01697	3.6
138.36456	3.7
149.04588	6.8
151.04016	5.4
152.86359	3.8
161.04613	4.3
165.07089	3.9
166.05106	9.4
177.33821	3.5
179.10945	3.0
209.06108	17.3
239.39240	4.1
270.84265	3.9
297.04041	4.0
369.22675	16.6
457.11404	7.3
479.57663	3.4
501.23874	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	501.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26325	2.7
57.03452	6.4
59.01385	100.0
61.14345	2.4
71.01390	26.6
71.55468	2.8
72.99329	2.5
73.02956	15.5
73.77036	2.2
83.01397	7.5
83.05039	3.7
83.98087	2.4
85.02974	9.2
87.00890	5.3
87.48096	2.3
89.02454	18.7
99.00916	5.4
99.04525	6.8
101.02448	18.5
113.02441	12.2
119.98151	2.5
121.02966	2.9
125.02509	3.6
131.03534	3.8
136.01709	15.2
146.08244	5.1
147.03275	2.8
148.01685	3.4
149.04581	24.3
151.04036	15.3
157.02048	2.7
161.04597	6.6
163.03961	2.7
170.97301	2.8
175.03828	2.3
191.05750	2.7
193.05121	2.7
248.69441	2.5
253.08661	3.0
279.15982	6.2
297.07645	11.6
357.13489	11.0
368.32736	2.9
369.22757	3.5
392.80203	2.6
415.23334	4.4
501.23477	10.9
502.26605	7.3
516.07831	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	501.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	5.1
59.01386	18.8
60.17933	0.6
61.98811	1.7
70.02989	7.1
71.01372	1.6
71.55096	0.6
72.00908	1.5
72.04528	2.0
73.02937	1.0
74.02481	44.4
76.39495	0.5
85.02973	1.2
90.59446	0.5
98.02486	11.0
98.59639	0.6
99.70534	0.6
101.02438	0.7
108.02189	0.6
113.02445	0.8
116.03564	9.3
116.05069	15.9
128.03522	2.2
130.06584	1.7
133.27400	0.7
142.06621	2.6
157.06560	0.9
159.04497	0.6
159.09283	2.4
166.52765	0.6
183.09254	0.8
201.10355	2.0
203.08286	37.8
204.08559	1.6
226.62358	0.7
227.07175	1.7
245.09319	100.0
246.09641	5.2
255.06630	8.6
256.06900	0.7
283.02621	1.1
296.69540	0.7
325.25449	1.5
357.24139	0.7
380.12396	0.5
457.33267	10.5
501.32343	37.0
502.32504	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	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55281	1.0
55.01896	1.7
57.03455	26.9
58.00581	1.3
59.01384	100.0
59.55084	1.0
60.01723	1.1
71.01384	28.9
72.99302	1.5
73.02955	14.5
81.03466	1.5
81.63715	0.9
83.01403	3.6
85.02959	8.4
87.00891	3.1
89.02452	28.2
93.03487	1.5
95.01383	1.7
96.96009	13.3
97.02955	1.7
97.06617	1.1
98.20771	1.8
99.00875	2.1
99.04529	44.1
99.05186	2.2
101.02454	22.8
103.04033	1.3
108.29948	1.0
109.02992	1.2
111.00928	1.2
113.02459	11.6
119.03492	2.8
119.05113	1.1
121.02965	2.8
125.02448	24.1
129.02017	1.1
131.03537	5.8
143.03493	1.6
149.04565	53.2
150.04819	1.1
161.04591	6.8
177.01932	1.8
177.09189	2.2
179.03387	1.1
180.96207	1.2
195.10185	1.5
226.98283	1.1
237.07706	2.6
249.06094	1.2
253.08704	5.1
279.06601	1.7
279.16095	1.4
297.04214	2.4
297.07642	4.4
303.13470	2.3
323.05652	3.1
339.14468	2.3
357.15503	12.2
399.16666	8.6
431.58789	1.2
439.19586	1.8
457.20761	3.5
501.19150	3.2
501.24384	1.5
501.30511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.3
59.01385	3.4
71.01377	1.3
71.55021	0.5
73.02959	0.8
78.95899	0.8
79.90554	0.3
79.95736	2.6
83.01414	0.3
84.70734	0.3
85.02949	0.9
87.00876	0.4
89.02476	0.7
93.03481	0.5
96.96021	100.0
97.02972	0.3
97.95956	0.3
99.00893	0.4
101.02463	0.7
113.02498	0.5
118.96606	0.3
119.05036	1.0
125.02471	0.6
125.36928	0.3
133.02974	0.4
135.04568	1.3
145.02948	0.4
161.02501	1.6
163.04033	0.8
173.04549	1.2
174.03236	0.2
175.03967	0.4
179.03517	0.8
184.25488	0.3
191.05637	0.9
219.03000	0.3
223.06001	0.3
233.04460	0.3
234.05283	0.4
246.55614	0.3
251.05568	0.4
262.29834	0.3
279.08618	0.5
283.09784	0.3
306.32492	0.2
327.08817	2.5
339.07355	0.6
373.09592	0.3
394.16617	0.3
419.12241	0.5
501.10101	0.5
501.16705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63907	0.4
58.02980	6.1
59.01081	0.5
59.01384	9.8
60.09911	0.4
61.25327	0.4
61.98845	0.8
63.40203	0.4
69.26678	1.1
69.27087	2.3
70.02980	6.0
70.79441	0.4
71.01385	1.3
71.09071	0.4
72.00908	1.5
72.04554	1.6
72.99293	0.3
73.06160	0.4
74.02480	43.5
83.05081	0.4
84.04550	0.4
85.02961	0.7
98.02486	10.3
98.20718	0.7
99.00890	1.2
100.66640	0.5
101.02496	0.9
108.94131	0.4
112.29679	0.4
116.03556	10.1
116.05072	16.3
117.05375	0.6
128.03539	1.2
130.06636	1.2
142.06664	2.8
157.06592	1.4
159.09314	2.2
161.04602	0.4
183.09276	0.8
186.05663	0.7
201.10277	2.6
203.08287	34.1
204.08644	1.4
214.10139	0.4
227.07182	1.6
245.09331	100.0
246.09613	5.0
255.06650	10.3
256.07141	0.7
399.23972	0.5
468.84283	0.6
501.16666	1.6
501.27417	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
59.01387	41.6
69.03460	1.0
69.29311	1.8
69.29724	2.8
71.01389	15.8
72.99293	1.0
73.02955	17.0
75.00906	0.6
82.50343	0.5
83.01395	2.2
85.02524	0.5
85.02945	3.0
87.00893	4.2
89.02454	31.1
90.02792	0.6
93.03474	0.7
96.96038	1.2
99.00873	0.8
99.04560	0.6
101.02458	12.7
103.00359	1.0
103.04037	1.8
111.00878	0.8
113.02479	5.5
115.58628	0.5
119.03516	1.7
125.02449	1.4
126.90399	2.2
130.08740	6.3
131.03535	8.4
139.07712	0.5
143.03569	1.1
149.04572	100.0
150.04919	1.7
161.04532	3.5
175.88916	0.6
207.10379	0.8
220.67178	0.6
221.06642	0.7
226.42296	0.6
251.07161	1.0
280.15472	0.6
323.05450	2.8
369.15302	0.8
369.22699	0.9
501.16165	1.4
501.23901	1.3
502.26700	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	501.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
59.01387	41.6
69.03460	1.0
69.29311	1.8
69.29724	2.8
71.01389	15.8
72.99293	1.0
73.02955	17.0
75.00906	0.6
82.50343	0.5
83.01395	2.2
85.02524	0.5
85.02945	3.0
87.00893	4.2
89.02454	31.1
90.02792	0.6
93.03474	0.7
96.96038	1.2
99.00873	0.8
99.04560	0.6
101.02458	12.7
103.00359	1.0
103.04037	1.8
111.00878	0.8
113.02479	5.5
115.58628	0.5
119.03516	1.7
125.02449	1.4
126.90399	2.2
130.08740	6.3
131.03535	8.4
139.07712	0.5
143.03569	1.1
149.04572	100.0
150.04919	1.7
161.04532	3.5
175.88916	0.6
207.10379	0.8
220.67178	0.6
221.06642	0.7
226.42296	0.6
251.07161	1.0
280.15472	0.6
323.05450	2.8
369.15302	0.8
369.22699	0.9
501.16165	1.4
501.23901	1.3
502.26700	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	501.1257
Annotation	Daphneside
Peak:m/z	Relative Intensity
59.01387	1.5
69.03458	0.9
70.94419	1.0
70.94762	0.5
71.01411	0.6
83.01392	0.9
86.77590	0.5
96.96009	1.2
97.02993	0.6
99.00902	0.8
108.22895	0.5
109.02968	7.4
111.00942	0.7
119.05061	0.7
121.06543	0.6
125.02462	3.0
127.00326	0.5
133.02986	2.6
135.04514	5.3
137.02429	0.8
139.04065	0.6
145.02974	1.4
146.03778	1.4
147.04532	10.5
148.05328	5.6
149.02515	0.5
149.06099	20.3
150.03265	0.6
150.06453	1.1
159.04533	3.4
160.05325	0.8
161.02452	3.9
161.06093	9.1
162.03194	1.1
163.04019	2.4
163.07640	1.0
165.05615	1.2
171.64708	0.5
172.05344	0.6
173.02509	0.5
173.06058	3.9
174.03218	1.9
175.04010	11.1
176.04813	3.8
177.01952	2.2
177.05583	1.9
179.03526	0.8
185.04526	2.1
185.06065	0.8
187.03966	1.0
188.04770	0.8
189.05583	22.1
191.03508	1.7
191.07140	7.5
192.07547	0.8
193.05074	1.7
203.07167	2.6
205.05113	4.5
207.06667	1.2
215.07095	0.7
217.05070	19.9
218.05386	1.1
219.02997	7.0
221.04538	5.2
235.06134	10.8
237.04065	7.5
238.04210	0.8
247.06198	0.6
249.04073	0.6
251.09274	1.7
259.06183	1.3
277.07260	2.6
277.63895	0.5
279.05121	8.0
295.08252	11.5
339.07224	100.0
340.07513	6.0
355.84549	0.5
399.09543	0.7
441.10431	0.6
501.12482	5.7
502.13071	0.9
513.92499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60804	0.7
56.08061	0.8
57.03442	1.9
59.01387	100.0
60.01712	1.8
61.98846	1.0
69.63087	2.8
69.63493	1.9
71.01399	9.7
72.99312	1.6
73.02958	3.5
75.00896	0.8
83.01400	1.7
85.02968	3.9
87.00885	2.1
89.02442	3.7
95.01436	1.0
97.02998	1.4
99.00889	2.0
99.04553	0.8
101.02442	4.0
111.08117	0.9
113.02480	5.5
117.03395	1.1
119.05041	6.6
125.02501	1.8
130.26912	0.8
134.03777	1.2
138.15273	0.7
149.04590	1.1
155.05058	0.9
157.59283	0.8
160.01678	1.6
161.04576	1.2
163.04144	0.8
165.05550	2.1
167.05013	1.9
175.04008	3.0
183.04549	1.8
193.05058	1.3
195.04509	2.8
196.05312	0.9
197.06056	1.3
199.03935	0.8
206.99844	3.4
208.05275	1.6
211.04039	4.3
223.04005	1.8
236.04744	3.9
239.03508	15.4
240.04196	4.4
241.05083	3.7
251.07162	1.1
251.12903	1.5
264.04327	2.4
267.03018	26.1
268.03241	1.6
269.04614	6.7
282.05365	59.0
283.05725	4.0
292.03766	3.7
297.04065	15.8
297.07687	46.9
298.04715	0.9
298.07993	2.6
304.07138	1.3
307.06143	6.4
337.09280	2.6
453.09622	0.9
457.33011	1.0
501.10342	1.4
501.19580	3.5
501.31625	7.2
502.18475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1043
Annotation	Puerarin 6''-O-malonate
Peak:m/z	Relative Intensity
59.01387	100.0
65.97504	2.0
69.25696	14.5
69.26112	6.6
71.01384	9.8
71.54746	1.9
73.02957	3.8
77.84035	1.9
79.01891	2.8
85.02973	3.1
87.44023	2.2
89.02465	2.3
93.03459	2.8
93.57716	1.8
95.43129	2.2
101.02390	4.4
104.64397	2.1
113.02477	6.1
121.02942	2.4
143.05049	2.9
145.02988	4.7
165.01947	2.2
181.06644	3.0
187.11208	2.1
191.44589	2.1
196.26073	2.3
214.94478	2.1
223.07762	4.4
229.10515	2.7
239.03564	5.6
253.05087	5.2
254.05818	5.2
265.05063	9.5
267.06650	62.0
277.04907	3.6
279.06564	7.1
282.05380	17.6
295.06137	83.4
296.06436	6.2
297.07706	14.4
307.06039	12.3
308.06772	2.7
319.83124	2.3
325.07251	22.0
326.07486	2.9
339.12210	2.5
360.19672	2.7
369.22882	3.0
397.09250	7.0
415.10065	3.8
418.04898	2.5
442.59048	2.4
457.11414	25.8
501.30643	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	501.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
57.03440	0.5
59.01386	7.7
61.98840	1.1
67.01920	0.2
69.03487	0.2
69.31618	1.4
69.32027	0.4
71.01394	2.4
72.99310	0.2
73.02955	1.1
74.78030	0.2
75.25819	0.2
83.01396	0.5
85.02944	1.1
87.00939	0.3
87.77868	0.2
89.02458	1.1
89.18217	0.2
93.03486	0.2
93.07059	0.3
95.01367	0.2
99.00874	0.5
101.02446	1.6
113.02451	1.2
117.03490	1.0
119.05011	1.0
120.08225	0.2
121.02970	2.0
123.21730	0.2
124.07693	0.2
125.02454	0.3
132.02199	0.4
133.02985	0.4
134.06134	0.6
143.03436	0.3
143.05032	0.9
145.02983	0.5
149.04547	0.7
157.06586	0.3
159.03030	0.2
160.01723	0.3
161.02454	0.3
161.04572	0.2
163.03996	0.3
164.07188	0.2
167.05045	0.8
168.05835	0.2
169.06606	3.5
171.04517	0.5
176.01140	0.6
178.05064	0.5
180.05797	0.7
181.06586	0.4
182.03889	0.2
183.04556	0.3
185.06078	1.2
191.03560	0.2
195.04482	1.2
196.05301	1.1
197.06128	2.4
199.03935	0.4
208.05362	0.3
209.15550	0.3
210.03322	0.3
211.03998	0.4
212.04793	0.7
213.05588	3.1
223.03978	1.3
223.20955	0.2
224.04805	4.3
225.05582	5.2
226.06010	0.3
227.16592	0.2
239.03497	0.6
240.04298	0.5
241.05090	3.6
251.03523	0.3
252.04259	0.8
253.05122	1.7
267.02991	0.5
268.03714	1.1
269.04572	9.1
270.04889	0.3
279.79758	0.2
296.03326	1.1
297.04062	100.0
298.04407	6.4
340.10269	0.3
353.19577	0.4
369.23047	0.4
371.20712	0.6
501.10260	2.2
501.21378	0.7
501.31265	1.4
502.10849	0.3
510.73422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76333	0.9
54.52084	0.9
55.07233	0.9
58.53326	1.0
59.01366	1.3
61.98836	100.0
71.39541	2.1
77.76053	1.2
83.67778	0.9
101.36362	0.9
121.55396	1.0
128.54556	1.1
149.80234	0.9
180.68361	1.0
187.41333	0.9
279.14005	1.2
307.25775	1.1
500.32465	1.8
501.32629	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	500.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01382	1.7
61.98826	0.5
65.03963	1.3
71.01381	1.5
71.53107	0.6
73.02927	0.5
73.75347	0.4
85.02919	0.6
89.02459	1.6
101.02442	1.2
118.96622	0.5
126.09251	2.0
127.04025	1.0
130.08755	4.2
149.04549	0.9
154.08725	2.1
158.04544	0.5
161.04491	0.6
170.08301	0.6
177.79189	0.5
186.11375	9.1
204.12437	2.4
218.13988	100.0
219.14354	4.2
221.77846	0.5
267.31204	0.5
281.12625	0.7
339.00842	0.5
369.14166	1.4
501.18491	0.8
509.68555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	81.3
60.01718	0.7
60.81600	0.4
67.60257	0.4
85.48199	0.5
88.65659	0.4
90.97156	0.7
112.38152	0.5
123.36696	0.4
132.98199	1.4
157.03563	3.3
159.01563	1.0
174.97948	0.4
174.99257	20.3
201.02568	33.1
202.02715	2.5
217.00319	100.0
218.00612	2.8
251.41689	0.4
343.03760	2.7
356.94577	0.5
359.01486	64.2
360.01730	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	501.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.2
51.42204	0.2
51.92366	0.2
57.03428	0.3
59.01385	3.9
65.00340	0.3
70.28121	0.9
71.01375	0.6
73.66159	0.2
75.92226	0.2
85.02921	0.2
87.82247	0.2
89.02440	0.3
93.03470	0.3
101.02431	0.3
107.18031	0.2
117.03477	0.9
119.05037	0.4
121.02970	0.4
134.03697	0.3
143.05066	1.3
145.02957	0.6
161.02518	0.4
166.05106	2.1
167.04999	0.9
168.05823	0.3
169.06607	4.3
171.04514	0.7
176.01196	0.7
180.05775	0.6
181.06548	0.4
183.04463	0.4
185.06084	1.3
195.04414	1.4
196.05266	1.1
197.06096	2.3
199.04036	0.3
211.04030	0.9
212.04819	0.7
213.05589	3.1
223.04025	1.2
224.04794	4.5
225.05583	5.8
226.05997	0.4
227.03526	0.3
239.03531	1.2
240.04210	1.0
241.05109	3.3
251.03455	0.4
252.04210	0.9
253.05136	1.6
267.03009	0.9
268.03723	1.6
269.04562	8.6
295.02490	0.3
296.03293	6.2
297.04050	100.0
298.04395	5.7
441.08173	2.1
458.88940	0.2
501.10483	11.8
502.10678	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	500.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.6
59.25001	1.5
61.98840	100.0
71.54798	1.6
90.16109	1.5
94.84502	1.3
103.07752	1.4
159.08183	4.1
341.17267	2.0
347.40689	1.2
500.21375	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	500.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53829	1.6
56.34981	1.7
59.01377	2.0
61.98837	100.0
69.27599	16.9
70.49321	1.7
74.42841	1.7
93.25181	1.7
103.02854	1.9
103.36526	1.9
103.40478	1.6
106.22729	1.6
113.20169	1.9
129.86638	1.8
130.33838	2.1
184.61349	1.6
464.02390	4.3
501.26053	3.4
513.49115	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	500.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97131	0.7
52.12658	0.8
55.01886	1.3
59.01157	0.9
59.01385	10.1
65.62971	0.7
71.01385	20.5
71.53246	1.0
73.02948	8.9
80.13821	0.8
83.01392	2.9
85.02968	9.7
87.00897	1.4
89.02456	8.1
95.01406	1.2
97.02957	1.3
99.00879	3.8
101.02451	23.1
113.02454	8.3
115.04004	1.2
125.02441	2.3
126.09248	2.2
130.05049	1.2
130.08749	66.0
131.03493	1.7
131.09062	1.6
143.03468	1.1
149.04573	1.9
159.03008	2.8
161.04572	12.0
170.08260	1.3
173.19676	1.0
191.05630	1.6
202.10806	1.1
204.12457	6.5
205.12729	2.4
206.12883	1.3
218.13855	0.9
233.06671	1.9
237.09811	26.2
293.08905	1.5
369.14035	100.0
370.14511	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	499.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20518	0.7
58.69795	0.7
59.01385	100.0
60.01742	0.8
61.98811	1.1
69.18142	0.7
69.49357	1.8
69.49761	3.8
91.04013	1.2
159.04501	2.5
159.51404	0.7
164.86116	0.8
185.02835	0.7
205.15953	1.4
225.09200	0.8
295.17068	1.8
365.27130	9.1
366.27539	0.8
373.21750	4.2
499.30890	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	499.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19869	1.0
59.01387	100.0
63.96551	0.9
64.78533	1.0
65.45467	0.9
71.01379	3.7
71.25803	1.7
71.92892	0.9
73.02956	0.9
85.02938	1.9
89.02433	2.4
95.01409	1.0
101.02455	2.3
108.02180	2.4
113.02452	7.1
119.03536	1.9
123.04552	2.0
156.95454	1.1
161.04619	2.3
167.03468	4.8
189.12888	3.9
197.43211	1.1
205.15932	11.5
249.14984	2.1
251.16544	1.1
277.21738	89.1
278.22168	6.2
291.23434	4.1
319.22876	1.9
397.25687	1.1
411.32788	3.1
455.31897	1.7
458.54260	0.9
499.30804	40.3
500.31299	5.0
511.84229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
59.01387	100.0
60.01725	1.0
61.98846	0.7
69.28186	4.2
70.45054	0.5
71.01387	5.1
71.20561	0.4
72.99318	1.4
73.02970	1.7
75.00902	1.8
75.75008	0.4
83.01395	0.6
83.05030	0.8
85.02979	3.6
87.00893	1.3
87.34343	0.4
89.02468	2.1
96.96054	0.9
99.00910	1.3
101.02454	2.4
103.00377	0.6
109.03004	0.4
109.20168	0.5
113.02441	3.9
119.03519	0.9
131.03581	0.5
134.03783	1.6
135.03070	0.6
135.19998	0.5
148.05281	0.9
149.06114	0.5
161.04605	0.5
161.13396	0.5
175.04036	0.4
175.91322	0.4
176.04840	0.7
191.07205	1.3
193.05162	1.4
205.12508	0.5
234.08330	0.5
235.06117	2.5
249.06245	2.1
249.15030	0.7
267.07272	7.0
271.70038	0.4
300.10605	0.5
309.04120	0.6
323.13492	0.5
351.21884	0.7
367.21649	0.5
390.46396	0.5
439.23880	0.6
455.20099	0.5
462.17935	0.5
499.22519	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.6
58.51302	0.3
59.01384	100.0
60.01715	1.0
61.98844	0.6
64.41462	0.3
69.87619	1.7
69.87926	0.4
71.01389	3.9
72.99294	0.6
73.02961	1.3
83.01396	0.8
85.02959	1.7
89.02458	1.3
95.01389	0.4
96.96030	0.5
99.00884	0.7
101.02465	1.7
111.20517	0.4
112.09483	0.3
113.02471	1.9
116.92897	0.3
119.03526	0.5
125.02484	0.4
128.13840	0.3
130.54930	0.4
132.64282	0.3
148.05257	0.4
159.03027	0.4
161.04570	0.7
176.44034	0.4
177.01915	0.4
193.95435	0.3
249.06180	0.6
345.26117	0.4
353.93198	0.4
389.55081	0.4
397.22504	1.1
439.27301	0.4
499.21634	0.9
499.29565	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	499.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.0
57.03454	2.2
58.00586	2.2
59.01383	32.5
61.98835	3.8
66.91367	2.1
68.38406	2.0
69.47047	15.1
69.47437	4.1
71.01389	36.7
73.02955	16.4
83.01388	8.7
85.02966	22.9
87.00924	2.9
89.02468	7.2
91.35629	1.9
95.01385	4.3
99.00891	7.1
101.02451	35.5
111.00938	2.0
113.02457	14.5
119.03591	2.9
119.05020	2.1
129.01926	2.2
132.81834	2.0
159.03026	3.8
161.04535	11.7
194.22862	2.1
307.17645	100.0
308.18027	7.2
327.94620	1.9
439.21835	80.3
440.22220	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	499.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
59.01385	100.0
60.01730	0.8
69.56008	2.4
71.01392	2.9
72.17216	0.4
73.02959	0.8
75.00880	0.5
83.01397	0.7
84.84530	0.5
85.02974	1.4
89.02453	1.5
98.20596	0.9
101.02440	2.6
111.89967	0.4
113.02482	1.5
124.72919	0.4
125.02431	0.5
161.04601	1.2
180.13985	0.4
267.07516	0.5
297.04004	0.5
340.28406	0.4
397.22305	3.3
417.71802	0.5
499.21979	0.8
499.29816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94503	0.7
56.48694	0.8
57.03449	2.6
59.01386	100.0
60.01677	0.8
61.98837	1.6
64.69260	0.9
68.43776	0.8
69.03461	2.3
69.25705	8.4
71.01390	30.5
71.05024	1.7
72.99342	2.0
73.02953	13.3
75.00903	1.3
81.03465	1.9
83.01400	3.7
83.05061	1.0
85.02968	21.1
87.00904	2.4
89.02449	4.8
93.03470	1.4
95.01382	1.5
96.95982	0.9
97.02972	3.1
98.19907	1.4
99.00889	19.4
99.04562	1.4
101.02463	12.5
109.02988	1.9
113.02464	15.6
114.02777	1.2
115.04020	1.7
119.03522	1.4
125.02456	2.2
128.93970	0.9
131.03516	4.8
135.04575	1.1
137.02458	2.5
143.03531	12.7
148.05325	13.7
160.05287	1.0
161.04576	2.9
163.07651	3.3
168.80843	0.8
173.04578	2.5
180.54024	0.9
182.96419	0.8
215.05621	1.7
249.06215	2.4
249.14882	1.0
256.84433	0.9
267.07281	6.3
293.08652	1.1
294.12097	1.0
335.09723	1.3
397.22180	1.1
439.23291	1.5
498.32581	1.0
499.21432	3.0
499.26450	1.3
499.33914	1.3
518.63159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
59.01382	17.0
66.97980	0.3
68.02911	0.3
68.18208	0.5
70.50422	0.8
70.50768	0.5
71.01387	10.6
72.99299	0.3
73.02950	5.6
83.01393	1.0
85.02957	2.8
85.53642	0.4
89.02455	2.6
90.17776	0.3
99.00880	6.6
101.02442	4.7
102.56033	0.3
113.02464	7.4
117.03495	0.7
119.05054	0.4
121.02935	2.6
125.02450	0.8
131.03493	1.0
132.02260	0.4
133.03004	0.8
134.03752	7.8
135.04518	0.6
137.02419	0.4
143.03516	1.0
147.04506	2.3
148.05316	93.4
149.06059	4.8
156.74207	0.4
158.03752	0.4
160.01672	2.3
161.04524	3.5
163.07657	100.0
164.07979	4.8
173.06050	0.7
175.04001	3.8
176.04800	4.7
177.01944	0.9
178.02721	0.8
191.05603	0.8
191.07137	6.7
193.05081	9.4
194.05296	0.4
203.05695	0.5
207.06631	2.8
220.03795	0.9
235.06134	14.8
236.06418	0.6
246.16681	0.3
265.07178	2.7
267.07315	0.5
275.07727	0.6
295.08240	2.6
322.09482	0.4
323.13525	2.4
332.26685	0.4
355.10541	0.4
367.13910	0.7
439.15936	0.7
457.17172	18.7
458.17661	1.4
499.18243	26.3
500.18567	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	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89307	1.2
55.01870	2.9
57.03450	6.3
58.14331	1.0
59.01385	100.0
59.28650	1.2
60.01725	1.2
61.00813	1.0
61.98823	1.6
68.23517	1.1
69.03458	3.3
71.01389	77.1
71.55096	1.4
72.99311	5.1
73.02953	13.4
73.07630	1.1
75.00867	3.5
81.03453	3.8
82.12029	1.2
83.01403	9.3
83.05006	1.6
85.02959	53.5
86.03304	1.5
87.00881	8.6
89.02462	11.6
93.03460	4.6
95.01392	2.6
97.02961	8.9
99.00889	54.1
99.04489	1.3
100.50146	1.3
101.02453	18.0
109.02947	3.8
111.00881	1.5
113.02459	48.8
119.03516	2.3
120.15788	1.3
121.02975	2.5
125.02412	6.9
127.04017	2.1
127.21063	1.3
131.03529	17.8
135.02913	1.2
137.02477	7.5
143.03514	36.0
147.04541	1.4
148.05322	92.0
149.04527	4.2
149.05667	2.6
150.28188	1.2
155.03522	7.9
161.04585	2.9
163.07666	41.2
167.03479	1.3
173.04607	6.9
173.05908	1.4
185.04515	1.5
203.05563	2.0
203.07256	1.5
215.05487	2.4
216.07753	1.5
267.07208	1.9
275.07703	4.2
293.08752	3.1
335.09726	1.9
481.17389	15.0
482.17548	2.0
499.17520	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	499.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59212	0.7
56.25034	0.8
59.01384	24.0
59.88579	0.7
69.17734	7.7
69.18016	0.6
71.01388	11.9
73.02952	2.0
83.01396	0.8
83.87296	0.7
85.02951	3.2
87.00897	1.3
89.02465	5.2
89.03989	1.1
95.01418	0.7
96.96063	0.8
97.33306	0.7
99.00864	1.1
99.08147	1.0
101.02462	3.7
113.02473	4.7
117.03472	5.0
119.03487	1.6
119.05038	1.1
121.03016	1.2
123.04504	0.8
131.03445	0.9
132.02147	1.4
133.02969	6.6
133.06511	0.7
134.03749	57.9
135.04570	6.6
136.01649	2.4
137.02412	2.4
143.07095	0.7
147.04533	10.6
148.05315	7.3
149.04849	1.4
149.06085	10.0
150.03145	0.8
151.03989	1.7
153.05562	0.9
158.03764	4.3
159.06680	0.9
160.00456	1.2
160.01668	14.6
161.02405	3.3
162.06895	0.9
163.04007	2.0
163.07645	1.2
164.04765	1.5
173.06084	3.9
174.03189	2.0
175.04007	23.4
176.04799	33.3
177.01945	7.3
177.05368	2.1
178.02704	7.2
179.03664	0.7
179.10690	0.6
191.07150	43.4
192.04295	4.5
192.07433	1.7
193.05064	68.7
194.05421	2.6
207.06641	17.5
217.05035	1.3
220.03804	8.2
235.06123	100.0
236.06425	3.3
247.06285	0.7
265.07150	18.9
266.07550	0.8
295.08261	19.2
296.08487	1.2
323.13501	19.6
324.13828	1.7
355.10431	1.0
367.21176	1.0
463.22012	2.6
499.18253	65.4
500.18448	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
59.01382	17.0
66.97980	0.3
68.02911	0.3
68.18208	0.5
70.50422	0.8
70.50768	0.5
71.01387	10.6
72.99299	0.3
73.02950	5.6
83.01393	1.0
85.02957	2.8
85.53642	0.4
89.02455	2.6
90.17776	0.3
99.00880	6.6
101.02442	4.7
102.56033	0.3
113.02464	7.4
117.03495	0.7
119.05054	0.4
121.02935	2.6
125.02450	0.8
131.03493	1.0
132.02260	0.4
133.03004	0.8
134.03752	7.8
135.04518	0.6
137.02419	0.4
143.03516	1.0
147.04506	2.3
148.05316	93.4
149.06059	4.8
156.74207	0.4
158.03752	0.4
160.01672	2.3
161.04524	3.5
163.07657	100.0
164.07979	4.8
173.06050	0.7
175.04001	3.8
176.04800	4.7
177.01944	0.9
178.02721	0.8
191.05603	0.8
191.07137	6.7
193.05081	9.4
194.05296	0.4
203.05695	0.5
207.06631	2.8
220.03795	0.9
235.06134	14.8
236.06418	0.6
246.16681	0.3
265.07178	2.7
267.07315	0.5
275.07727	0.6
295.08240	2.6
322.09482	0.4
323.13525	2.4
332.26685	0.4
355.10541	0.4
367.13910	0.7
439.15936	0.7
457.17172	18.7
458.17661	1.4
499.18243	26.3
500.18567	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	499.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.0
61.98835	0.9
70.00464	2.2
71.01396	1.5
72.99314	0.6
73.02912	0.4
74.34012	0.4
75.00934	0.7
83.05069	0.7
85.02973	1.3
87.00883	1.3
89.02473	1.5
93.03455	3.4
96.96030	4.4
99.00903	0.4
101.02501	0.6
111.04535	2.0
113.02464	1.3
119.05041	87.5
120.05359	2.6
133.05101	2.4
155.03508	3.1
163.04027	100.0
164.04375	3.5
165.57846	0.6
167.03545	0.5
173.04559	6.0
180.63577	0.5
191.05595	0.5
249.06053	0.8
253.49693	0.5
293.64359	0.5
325.09348	11.8
326.09799	1.0
337.09192	0.7
393.53989	0.5
393.79974	0.5
414.50851	0.5
439.18289	0.5
460.52240	0.4
499.14578	17.7
500.14941	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	499.1461
Annotation	kn-93
Peak:m/z	Relative Intensity
59.01383	4.5
60.99303	3.8
61.12978	1.0
61.98830	1.4
65.55899	1.1
67.01896	10.1
69.03452	2.6
69.28335	7.4
71.01385	6.2
72.99304	1.4
73.02952	1.1
75.00871	1.5
76.42134	0.9
80.92406	1.0
81.03503	1.4
83.05042	1.6
84.17100	1.1
85.02961	5.4
87.00877	13.0
88.98813	1.3
89.02446	1.5
93.03468	65.5
94.03774	1.8
96.96024	26.4
98.20728	1.6
99.00883	2.1
101.02451	1.6
103.50772	1.0
109.02932	1.7
111.04535	10.1
113.02451	2.1
113.41727	1.0
118.20308	0.9
119.05038	28.5
119.15450	0.8
120.05360	1.0
123.26675	0.8
125.02461	1.8
127.04021	1.5
129.01920	2.3
145.02971	2.7
147.04544	1.2
149.06119	1.4
155.03468	2.9
163.04037	18.0
165.04045	2.2
173.04579	17.1
174.04886	1.2
191.05630	77.4
192.05937	1.7
193.05070	1.0
203.03572	1.8
221.04555	1.2
233.08267	2.1
251.09219	4.2
281.00336	0.8
295.08368	1.4
329.49426	1.0
337.09323	14.4
338.09229	1.2
379.10394	1.8
399.92865	1.0
415.29013	1.0
499.14560	100.0
500.14880	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	497.2761
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.93332	0.4
56.01251	0.3
57.03471	0.5
59.01384	100.0
60.01711	1.0
61.98845	0.7
68.83527	0.3
71.01385	6.5
71.55326	0.5
73.02962	2.4
83.01415	0.8
85.02959	2.1
87.00900	0.5
89.02442	2.2
95.01435	0.3
96.96043	0.7
97.02998	0.4
99.00906	0.8
99.04571	0.4
100.13766	0.4
101.02456	3.9
107.82194	0.3
113.02455	3.5
113.03073	0.3
119.03535	0.7
121.03039	0.4
149.02455	0.4
151.96913	0.4
153.09251	0.6
161.04623	1.3
165.05666	0.4
167.03410	0.4
219.33401	0.4
233.15492	2.8
278.05219	0.4
437.25327	0.9
455.26193	2.0
497.26514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75138	0.5
54.68258	0.5
55.84301	0.5
57.03454	1.2
59.01386	5.2
60.99308	0.8
61.98830	2.6
67.01898	4.0
69.03464	0.8
71.01392	7.3
71.54786	0.7
72.99310	0.8
73.02940	1.3
78.53674	0.5
81.03454	0.9
83.01369	1.0
83.05011	0.8
85.02950	1.3
87.00859	0.9
87.96000	0.5
88.98837	1.2
89.02438	3.3
93.02863	1.1
93.03467	24.0
94.03806	0.7
96.96021	14.2
99.00877	1.0
101.02460	2.1
104.93504	0.6
109.02960	1.7
111.00854	0.8
111.04538	4.3
113.02452	1.3
119.05032	27.4
120.05381	0.6
120.72791	0.5
122.06091	0.6
127.04001	0.7
137.02449	4.4
139.07680	0.5
149.06082	1.2
155.03497	4.4
163.04025	27.8
164.04359	0.9
166.05090	2.1
173.04558	100.0
174.04906	3.1
179.05679	0.5
191.05591	0.8
229.09813	1.1
260.08075	1.0
277.11719	0.6
301.12061	0.9
306.72263	0.6
325.09241	3.3
423.14398	0.7
439.42072	0.5
463.17749	1.3
481.18146	0.9
499.13605	5.0
499.20944	1.4
500.14453	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	497.2764
Annotation	Simplexin I
Peak:m/z	Relative Intensity
51.18445	1.1
54.67968	1.1
55.01878	1.8
56.54175	1.1
58.00598	1.5
59.01386	100.0
66.89874	1.0
69.03452	2.1
71.01391	64.5
71.05012	1.9
71.55089	2.1
72.99322	2.8
73.02953	74.2
75.83147	1.2
83.01400	23.0
85.02958	6.0
87.00889	3.2
89.02450	10.3
95.01432	1.5
97.02952	2.0
99.00875	2.1
101.02452	61.6
113.02467	14.6
119.03513	4.1
125.02450	1.8
131.03531	2.9
143.03494	4.0
149.04591	3.5
155.03494	1.5
161.04570	10.2
174.28551	1.1
195.53387	1.2
211.13402	1.8
231.21262	1.5
275.20172	45.6
276.20413	2.6
293.21265	15.9
437.25476	4.4
455.26566	12.7
456.27097	1.4
497.27563	72.4
498.27747	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	497.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01385	100.0
60.01717	0.7
61.98825	1.8
69.25809	2.9
71.01387	9.4
72.99319	0.5
73.02955	4.3
76.49776	0.3
83.01419	0.9
85.02946	2.7
85.30820	0.3
87.00886	1.8
89.02454	3.7
95.01404	0.8
96.96037	1.1
97.06617	0.5
98.19947	0.7
99.00897	0.6
101.02451	4.9
113.02457	8.3
119.03526	1.0
125.02480	0.5
131.03572	0.4
138.06882	0.5
143.03439	0.4
149.04660	0.3
153.09251	2.4
155.22781	0.3
160.64490	0.3
161.04549	1.8
173.06136	1.2
175.07774	0.3
179.05518	0.5
189.05513	0.4
189.09326	0.7
200.08504	0.4
203.07222	0.6
215.07391	0.4
217.08818	1.2
218.09465	1.7
227.07216	0.4
228.07964	0.7
243.10204	0.4
250.12103	0.8
437.25357	2.8
455.26599	0.9
465.17920	1.6
479.19131	2.1
497.20419	4.8
497.27124	0.4
497.36493	0.5
498.20471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60451	5.3
59.01385	100.0
60.28001	4.9
61.98839	11.0
69.30429	15.1
69.30849	29.9
71.01383	39.4
73.02962	10.6
87.00870	18.1
89.02460	53.6
89.45670	6.0
94.98187	4.8
95.01439	5.1
96.30674	5.6
99.00882	5.9
101.02454	25.9
113.02475	11.1
113.65565	5.1
125.02466	17.5
128.86900	4.8
131.03528	11.6
149.04547	28.6
191.05653	8.9
218.09500	7.4
233.06659	8.5
293.08774	70.5
329.06506	51.7
366.72177	5.2
381.67484	4.9
497.18790	35.9
497.26157	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01384	7.7
61.01017	0.9
61.98820	1.4
64.86454	0.5
71.01392	6.1
72.99310	1.9
73.02940	2.6
75.00875	1.4
77.18051	0.6
85.01029	9.2
85.02971	3.8
87.00881	18.0
89.02447	4.1
95.01433	0.6
96.96014	1.7
99.00891	4.5
99.08189	0.8
101.02467	4.4
105.01942	30.0
109.02953	1.1
113.00558	1.1
113.02454	5.0
115.02077	1.5
117.01974	0.8
119.03505	1.2
119.05049	0.7
125.02464	1.5
127.02089	0.7
133.05072	1.1
135.02997	1.0
135.04517	1.4
143.05254	4.1
145.03139	1.8
147.02980	4.5
148.04041	1.0
149.04512	1.0
157.03143	1.3
165.04051	62.1
166.04378	1.6
179.03453	1.7
187.04147	0.9
187.07848	1.4
205.05312	0.8
250.32866	0.6
261.04333	0.7
273.12549	0.7
275.64938	0.6
335.07809	1.3
349.13095	8.4
350.13071	0.7
353.08896	0.8
424.47687	0.6
479.16760	1.4
497.16901	100.0
498.17282	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	497.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90428	0.5
57.03460	2.7
59.01383	24.6
69.03465	0.8
71.01385	5.0
72.99323	1.1
73.02955	4.6
76.18327	0.5
80.96529	0.6
87.00871	2.3
89.02453	25.4
97.06590	0.4
98.20763	0.9
99.04526	1.0
103.04015	1.8
118.46177	0.5
118.47011	0.6
122.03770	0.8
123.04561	0.9
124.05285	0.9
131.03520	7.7
133.06586	1.3
137.06099	0.8
139.07678	7.3
147.74825	0.6
149.04568	100.0
150.04932	2.7
159.89685	0.5
169.08734	2.1
181.08728	3.3
187.11308	1.1
203.07144	0.6
205.12349	1.7
210.09085	1.1
211.09805	2.4
219.02905	0.6
222.05142	0.5
255.03058	2.0
279.08826	1.2
279.12186	0.8
283.02478	1.1
298.04855	0.6
299.05530	0.8
300.57593	0.6
321.13474	1.6
329.14276	0.5
349.95044	0.6
446.08646	1.2
461.10794	5.9
479.15601	3.4
497.16663	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	497.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94974	1.6
57.03436	5.1
59.01387	100.0
60.19345	1.8
61.98830	14.0
63.69386	1.6
64.15068	1.8
69.64608	9.7
69.65025	4.5
71.01384	11.0
72.99309	12.1
73.02950	5.4
75.00877	4.1
81.37058	1.7
83.01403	1.8
83.05009	1.8
85.02956	4.0
87.00867	3.2
89.02432	5.9
97.02961	1.8
98.56895	1.9
99.00945	2.2
99.04521	3.4
101.02422	5.3
103.00370	3.2
109.67915	1.6
111.04549	2.6
111.80080	1.7
113.02441	3.2
119.05015	2.9
121.06625	2.5
123.04591	2.0
123.08139	1.8
124.05305	2.5
125.02454	2.2
133.06587	8.0
135.03056	1.8
137.06096	3.4
139.07646	23.3
149.04523	4.4
149.06056	3.7
151.07643	2.4
158.03726	3.8
160.01682	2.8
165.04057	2.3
169.08699	6.6
173.06067	3.7
181.08710	15.1
187.07564	2.5
191.03418	1.9
203.07104	3.3
205.12270	3.4
210.08955	4.7
211.09763	11.9
215.07149	3.7
235.13344	3.0
286.08829	1.7
293.17590	4.9
297.12421	3.2
299.12860	1.9
300.38190	1.9
313.14401	3.0
321.13483	10.7
331.15649	2.7
434.08252	2.0
438.92294	2.0
453.17291	10.4
479.15442	16.1
480.16003	2.9
497.16690	23.2
497.32852	3.2
498.17157	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
59.01384	8.2
61.70811	0.6
61.98827	2.7
66.28543	0.6
66.99339	0.7
71.01391	3.8
71.55145	1.1
72.99323	5.6
73.02949	2.1
75.00876	1.5
84.16561	0.6
85.02946	2.0
87.00890	1.0
89.02448	2.5
101.02444	1.8
103.00417	0.7
111.00861	0.8
113.02458	1.2
114.05555	0.8
122.06097	0.6
123.04559	0.8
125.02450	0.6
128.75806	0.6
135.00920	1.2
137.02461	0.7
145.02998	0.7
148.67827	0.7
149.04648	1.0
149.06062	0.8
153.01964	0.7
158.03745	1.3
165.04111	1.6
166.05083	2.5
173.06021	0.9
175.04083	1.0
175.07593	0.9
186.03186	0.9
200.04774	0.9
203.03519	0.8
212.04770	0.7
215.07053	1.2
216.07944	0.8
217.05148	1.0
227.03497	1.8
227.06920	0.9
228.04263	0.9
231.06525	0.7
239.03548	1.3
249.53798	0.6
255.03001	3.9
256.03772	2.3
273.07907	0.9
283.02606	3.7
284.03271	47.1
285.03641	2.6
297.04077	0.9
299.05618	100.0
300.06003	8.3
335.20410	0.8
349.10330	0.7
371.14682	1.0
432.79663	0.7
437.37476	0.7
446.08664	0.8
461.10800	1.3
479.15549	8.7
497.16412	10.4
497.24380	0.9
497.25748	0.8
498.17502	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2759
Annotation	Ardisenone
Peak:m/z	Relative Intensity
56.60314	0.3
59.01363	0.4
65.03977	1.7
67.01885	1.1
69.03469	0.4
69.17211	3.4
79.01928	0.4
79.05521	0.7
80.02673	1.3
81.03452	0.6
93.03448	0.5
98.20663	0.8
105.27631	0.3
107.01402	15.7
108.02187	8.4
109.02963	26.5
110.03286	0.7
121.02933	1.6
122.03751	0.8
123.00897	4.1
123.04537	2.7
124.01720	1.5
133.02956	0.8
135.00899	0.4
135.04504	0.3
136.01677	28.2
137.02466	15.7
138.02759	0.4
148.01669	3.3
149.02480	3.0
161.58032	0.3
162.03229	6.2
163.04062	0.7
165.01942	30.5
166.02725	3.6
167.03505	20.8
168.03877	0.7
227.07083	0.6
249.68192	0.3
254.05757	0.5
255.06628	1.4
272.06927	0.6
273.07693	3.2
307.13553	0.3
465.43164	0.3
495.27545	100.0
496.27899	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	495.2607
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
53.23968	0.4
57.03458	2.5
58.00594	0.5
59.01385	100.0
60.01745	0.7
61.98837	0.8
69.46920	1.3
69.47346	1.6
71.01393	12.0
72.99316	2.4
73.02950	7.1
80.51961	0.4
83.01411	1.8
85.02961	4.6
87.00883	0.7
87.04517	2.9
89.02444	5.3
95.01397	1.2
98.19907	0.8
99.00925	0.9
101.02462	7.3
101.87611	0.4
103.00389	1.2
103.04021	31.3
113.02466	9.7
114.63805	0.5
119.03535	1.4
125.06112	0.4
136.05341	1.2
137.92816	0.4
143.03500	0.8
143.14554	0.5
146.99406	0.5
149.04625	0.7
149.06081	0.4
151.07680	4.3
152.08444	10.8
153.08885	0.5
158.02716	0.5
161.04550	2.6
173.06152	1.0
179.05746	0.9
189.05666	0.5
201.68861	0.4
203.07321	0.6
203.10843	0.4
215.07199	0.5
217.08681	0.6
217.12366	0.9
218.09523	0.5
229.08627	0.4
273.18665	0.8
291.19797	0.7
305.36581	0.4
329.13864	0.5
435.23853	8.1
436.24350	0.7
453.24792	2.7
463.16437	1.2
464.18158	0.5
477.14319	0.6
495.18915	3.1
495.25983	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	495.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07941	0.7
51.22312	0.7
55.01890	1.2
57.03460	1.6
59.01386	100.0
64.49402	0.6
69.03529	0.8
69.19165	4.2
69.19594	3.2
71.01391	28.6
72.99329	1.1
73.02956	11.8
75.00883	1.2
83.01389	5.3
85.02969	6.3
87.00883	2.0
87.04536	1.2
89.02464	12.3
90.88723	0.6
95.01390	1.9
96.96033	0.9
99.00932	0.9
101.02454	15.7
113.02467	16.7
119.03514	4.7
121.06678	0.7
125.02486	1.9
131.03511	1.5
135.03020	2.7
136.05299	1.7
143.03529	1.4
149.04605	1.2
149.06160	1.2
151.07678	6.5
152.08438	16.3
161.04517	4.4
163.04060	1.1
165.09286	0.9
170.86533	0.8
179.05670	1.1
203.10820	3.5
217.12474	2.4
218.13101	1.2
259.12402	0.8
273.15961	1.0
273.18497	3.8
291.19684	5.0
297.04233	1.0
341.23837	0.9
359.86545	0.8
363.24286	0.8
417.23001	3.0
435.23880	51.3
436.24414	5.3
453.25000	18.8
454.25583	2.7
459.22586	1.1
495.26093	12.1
496.26608	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	495.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	3.3
57.27009	0.6
57.81636	0.6
59.01387	100.0
60.01723	0.9
61.98831	1.5
69.16442	2.2
69.16856	4.8
71.01376	3.3
72.99319	5.6
73.02960	2.2
82.14459	0.6
85.02965	1.9
87.00900	0.9
87.04533	1.8
89.02459	1.0
90.96339	0.7
96.16007	0.6
96.96020	0.8
98.20660	1.6
101.02469	2.8
103.00404	1.5
103.04027	61.7
104.04411	1.4
113.02477	1.6
119.05112	0.6
141.26254	0.7
146.99350	0.8
149.04677	1.1
152.07278	0.9
161.04646	0.9
173.06104	1.1
201.05655	1.0
203.07230	1.5
215.07077	1.1
217.08701	1.1
218.09489	0.8
231.06627	1.1
282.05457	2.9
297.07724	5.1
327.21866	2.7
329.13983	1.7
377.28238	1.9
435.22668	1.2
463.15921	2.5
477.14297	1.1
495.18518	7.0
495.31097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.9
59.01385	100.0
61.98842	1.6
70.18111	2.4
71.01389	11.8
72.99315	6.8
73.02948	8.0
83.01408	1.9
84.96128	0.7
85.02961	4.7
85.52082	0.7
87.00872	0.9
87.04527	14.7
89.02449	5.6
95.01408	1.1
96.97664	0.8
99.00936	0.7
101.02459	6.3
103.00380	2.1
103.04024	29.1
113.02460	8.3
119.03474	1.1
130.74681	0.7
146.99449	0.8
149.04605	0.8
149.06030	1.0
151.07651	3.9
152.08443	8.5
153.08798	0.8
159.04558	0.8
161.04619	3.1
173.06090	1.8
177.68118	0.7
189.05702	1.1
189.09222	1.3
203.07381	0.8
217.08772	1.2
218.09578	1.6
231.06683	1.4
278.30347	0.8
329.13864	1.1
377.28177	1.1
385.97360	0.9
435.23868	7.5
436.24893	0.9
453.25101	2.3
463.16211	2.8
477.14285	0.8
495.18985	9.4
495.25403	1.6
496.19910	1.1
510.08386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.2
57.03442	4.7
59.01385	44.0
60.26616	0.9
61.62542	1.1
61.98599	0.9
61.98839	11.6
69.03474	1.8
71.01386	100.0
71.54868	0.9
71.55280	1.5
72.01717	1.7
72.99311	25.0
73.02953	18.2
75.00873	4.0
83.01392	6.0
85.02959	19.9
87.00883	6.6
88.98797	5.7
89.02449	21.8
95.01392	3.0
97.02958	2.1
99.00892	10.3
101.02453	26.5
109.02913	1.7
110.42850	1.1
111.00891	1.2
113.02462	21.2
115.04037	2.6
119.03490	3.1
123.04496	2.1
125.02444	4.4
129.01932	1.2
129.90482	1.1
131.03488	3.0
141.09265	1.3
143.03499	1.5
149.02478	1.3
149.04596	5.5
149.06030	1.1
150.03177	1.0
151.07652	8.1
152.01180	1.4
153.01909	1.2
161.02452	4.2
161.04520	3.7
163.06110	2.4
165.05519	1.9
167.03442	3.0
169.08708	24.0
175.02496	2.1
183.10243	1.3
187.09811	3.1
195.06607	2.5
201.11420	1.4
205.07103	2.3
233.06757	2.0
264.31119	1.0
303.14575	2.9
313.12924	38.4
314.13260	2.1
315.08881	1.8
331.14011	20.3
333.09796	2.0
345.11157	1.3
349.15024	2.2
363.16571	7.0
373.15118	1.2
387.12982	2.8
391.15448	1.3
435.18689	1.7
445.17169	94.5
446.17398	6.8
459.15021	3.6
463.18219	34.1
464.18625	3.9
477.19785	32.4
478.19937	2.6
495.20120	14.0
496.20782	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	494.9293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.8
96.96021	1.2
100.11983	0.4
103.45702	0.5
107.54669	0.5
120.13251	0.4
130.38921	0.5
134.96085	8.9
135.91521	0.6
136.92964	1.1
136.94019	22.8
137.94090	1.4
137.98070	0.5
139.90504	0.4
151.92735	1.5
152.91776	42.8
167.90479	2.9
172.79181	0.4
178.95073	41.9
179.95090	2.8
192.42148	0.4
192.95924	2.4
194.92822	76.6
194.95351	3.8
195.92999	0.8
201.02539	1.0
210.90862	0.6
212.93883	5.2
217.00305	1.2
226.88574	10.7
250.93958	0.8
252.91901	1.3
268.89630	14.4
288.83423	0.6
292.95001	4.7
294.92953	8.5
308.92722	0.7
310.90695	34.2
311.90921	0.9
336.93970	48.9
337.94168	4.0
350.94562	0.6
352.91699	100.0
353.91922	2.8
450.46561	0.5
494.92868	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	495.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
57.87556	1.0
59.01386	38.4
61.98838	1.5
63.02383	1.4
65.00340	10.6
71.01387	1.6
71.55321	1.9
73.02940	1.2
80.02681	2.4
83.01389	4.4
85.02948	1.2
85.48489	1.0
93.71122	1.1
95.01377	1.4
96.96002	2.4
98.03000	1.0
98.93522	1.2
101.02441	1.5
106.50008	1.0
107.00710	1.7
107.01401	17.1
108.02189	9.3
109.02950	2.5
111.00829	1.1
113.02429	1.2
118.35927	1.3
119.97610	1.1
121.02929	1.5
123.00866	1.9
124.01674	2.0
125.02480	5.8
130.69725	1.0
131.05121	1.4
133.02945	2.8
134.03770	8.3
135.04538	36.1
136.01749	5.9
136.04782	1.3
145.02878	1.2
146.03722	1.4
147.04533	3.7
148.61835	1.0
149.02498	2.5
150.03255	1.7
151.00385	42.9
152.00958	1.4
153.01942	2.2
155.05022	3.9
158.03835	1.2
159.04539	13.5
160.01648	2.4
161.02470	6.2
161.06035	1.6
163.00481	1.3
164.01164	11.2
164.04761	1.9
165.01884	3.3
171.04503	2.8
173.02345	2.0
173.06065	1.3
174.03223	6.6
175.04012	5.7
176.04820	2.4
177.01932	3.8
179.03471	2.4
179.07117	3.7
185.02380	1.4
185.05948	1.7
187.03973	3.1
189.05481	2.3
191.07098	1.8
194.05801	3.1
196.00165	12.0
197.06105	1.4
198.03233	2.2
199.04018	25.2
200.04437	1.3
201.01944	6.4
201.05562	1.2
203.03552	1.6
209.08150	5.8
211.04051	3.0
213.05547	3.2
215.03487	5.3
216.04362	1.3
217.05019	3.7
227.77342	1.0
239.03516	1.6
240.04105	1.9
241.05069	7.3
242.05757	3.3
243.03041	1.6
250.06448	1.2
257.04590	10.8
258.05304	3.4
284.00192	1.0
285.04071	100.0
286.04785	20.0
287.05533	3.9
301.07181	2.4
319.16940	2.2
343.11887	1.4
361.67847	1.2
369.09680	1.4
407.22122	2.4
451.21701	1.5
465.11719	7.4
477.11850	7.2
495.12842	20.8
495.20126	16.4
495.28647	8.2
496.13229	3.5
496.19955	1.2
506.34235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.18
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
60.17791	0.6
61.98832	3.7
67.01891	19.3
71.55395	0.7
85.06604	2.2
86.16660	0.7
134.69022	0.6
135.04588	1.5
148.05319	8.6
149.02525	0.7
161.02425	0.7
163.03979	0.8
164.21629	0.7
171.08130	1.1
175.07677	1.0
193.21150	0.6
195.11763	3.6
213.09123	1.0
225.09276	4.3
226.09743	1.0
227.10753	0.9
237.09116	1.0
238.09769	0.7
239.10796	95.5
240.11113	5.7
257.08252	0.7
258.08536	1.2
286.15576	0.6
347.20248	2.3
364.15939	1.8
365.15823	3.3
365.21103	1.4
409.20230	100.0
410.20514	11.0
416.14041	0.6
430.35434	0.8
438.66391	0.8
451.72339	0.9
494.17944	5.9
494.23718	1.2
495.22076	10.7
495.27969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79531	0.5
52.63871	0.6
59.01381	0.9
61.98845	4.4
64.30000	0.5
65.87579	0.6
70.55668	1.6
78.29356	0.5
78.95904	1.6
89.50793	0.6
96.96064	0.7
107.05029	1.0
108.02177	0.7
109.02973	0.7
109.25204	0.6
121.02935	0.8
122.03784	0.6
128.79431	0.5
134.03754	1.1
135.04544	2.9
137.09767	0.7
149.02446	2.0
151.34573	0.5
167.03558	0.7
213.09171	3.7
225.09227	29.5
226.09814	3.7
227.10530	0.7
233.37187	0.6
309.18716	0.6
365.21225	49.7
366.21634	4.1
391.19211	2.1
409.20218	100.0
410.20557	9.5
494.18018	18.5
494.26413	3.5
495.19113	3.3
495.27191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
61.95623	0.5
61.98828	0.7
62.17645	0.4
67.93396	0.4
68.24018	0.4
69.35057	0.5
69.37280	3.3
77.03996	1.0
95.05018	0.8
105.03494	2.1
107.05038	1.8
109.02928	0.7
121.02962	0.6
122.03787	0.7
134.03755	0.6
135.04532	3.0
136.05327	11.4
136.84753	0.4
137.16544	0.4
139.03983	0.8
145.90532	0.4
151.04044	0.8
157.04066	0.4
157.35213	0.5
161.02473	0.7
167.03528	0.6
168.04260	0.5
171.08142	1.2
173.06064	0.6
175.11328	0.6
179.03537	0.6
181.10249	0.6
183.08212	2.3
183.11780	0.5
209.09801	0.7
211.07990	0.4
213.09233	0.9
225.09210	10.1
226.09961	2.9
227.10793	43.7
228.11115	2.9
237.09230	1.8
238.09956	1.4
238.13617	0.5
251.07121	0.9
252.07971	0.5
253.08719	1.3
258.08673	0.5
263.10696	0.8
269.08279	0.7
270.08990	1.5
277.12357	0.6
281.08563	0.6
329.19208	0.7
345.18677	1.0
347.20145	7.6
348.20560	0.9
373.18066	3.7
374.18713	0.6
391.19196	8.1
392.19406	0.9
409.20236	100.0
410.20572	10.1
480.69577	0.5
494.17953	2.1
494.27005	0.5
495.22784	0.5
495.27780	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	494.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05958	0.4
54.06698	0.4
61.98845	2.9
71.55135	0.9
83.05024	2.2
93.03462	0.5
96.96008	1.0
105.69685	0.5
106.04314	0.6
107.05024	4.5
119.05024	1.7
121.02901	0.5
122.03748	0.8
123.08194	1.0
135.04539	13.5
136.04855	0.5
137.04530	0.5
149.02492	0.5
157.06604	1.3
161.02525	0.5
161.06152	0.7
167.03485	0.9
171.08174	1.0
173.09721	1.1
175.07683	0.8
185.09773	0.5
193.47905	0.4
195.08182	0.5
209.09686	0.5
212.08339	1.1
213.09212	4.3
225.09261	6.9
226.09984	6.6
227.10733	0.8
237.09219	0.8
239.10649	0.5
249.12903	0.6
251.14473	2.4
263.14487	1.5
265.08798	2.6
275.14569	0.7
277.15979	3.7
295.17035	14.1
296.17389	1.1
321.14911	1.2
321.18591	2.1
347.20090	1.8
365.21194	9.6
366.21332	0.7
391.19177	36.9
392.19452	3.9
409.20209	100.0
410.20547	11.1
412.21143	0.9
494.17981	5.4
495.18826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13231	0.4
51.57518	0.4
57.49630	0.4
61.98829	2.9
69.36985	3.5
70.79103	0.4
72.67988	0.4
78.27187	0.4
89.46456	0.4
91.05531	0.4
93.03470	1.2
93.49734	0.4
98.20618	0.6
107.05043	3.4
110.92103	0.4
119.05031	0.7
121.02985	1.0
122.03756	0.6
135.04546	10.1
135.08179	0.6
136.04941	0.4
140.83521	0.5
143.05003	0.5
149.02493	0.7
152.25372	0.4
157.06615	0.8
159.08189	0.5
161.02266	0.5
171.08185	0.7
173.06152	1.2
175.07645	0.6
183.08098	1.1
195.08086	0.8
197.09767	0.5
199.94351	0.4
201.05702	0.9
209.11897	1.1
211.07704	2.8
211.13406	0.5
212.08405	2.6
213.09270	4.8
223.07813	0.6
225.09222	21.4
226.09956	5.3
227.10570	0.5
237.09215	4.7
238.09978	1.3
239.10803	0.6
251.07066	0.6
256.07449	2.3
257.08304	0.5
263.07169	1.1
263.10880	1.2
263.14285	0.6
265.12375	2.2
269.08307	1.2
277.12366	0.6
279.14087	1.0
281.08401	0.6
289.16034	0.5
291.10281	2.5
292.11105	1.2
305.11850	1.2
307.17078	9.2
308.17377	0.5
309.11417	0.7
329.19101	1.5
333.14969	0.4
345.18665	1.2
347.20178	12.6
348.20468	1.3
365.21307	3.6
373.18079	7.4
374.18427	1.2
391.14108	0.8
391.19153	11.8
392.19736	1.1
409.20233	100.0
410.20618	10.2
434.17352	0.4
464.18109	0.8
494.18100	7.3
494.25571	0.7
495.18292	0.7
518.01215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.4
58.00581	0.9
59.01387	38.8
59.24978	0.7
60.01714	1.8
61.98838	100.0
68.32957	0.7
69.21214	7.1
71.01389	7.9
72.07502	0.7
72.38856	0.7
72.99315	1.6
73.02955	2.5
75.00897	3.7
76.22179	0.7
78.69059	0.7
83.01389	1.0
85.02954	3.3
87.00893	1.2
89.02481	2.3
95.01375	0.9
95.09898	0.8
96.96056	1.0
98.20608	1.7
99.00922	1.5
101.02469	3.2
109.02974	0.8
113.02466	3.6
117.03459	0.7
119.03506	1.4
120.32478	0.8
124.07706	0.8
141.93877	0.7
147.04568	1.6
148.05345	2.6
149.06204	0.9
161.04672	0.8
163.07707	1.6
168.06725	1.1
177.04065	1.0
195.05099	1.3
199.13457	1.2
209.11884	1.5
268.03766	11.7
269.04547	4.1
345.22653	0.9
348.10590	0.8
361.18402	4.2
361.22467	0.9
361.26154	1.3
362.19077	3.2
374.22440	0.9
375.27524	16.6
376.27899	5.2
431.09839	14.0
431.15259	1.1
432.10364	1.5
433.24387	1.2
450.10364	0.7
477.14218	1.1
493.23285	1.2
493.30991	3.7
494.30652	1.1
495.15158	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	493.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.3
67.03426	1.0
72.82288	1.1
79.05549	2.5
86.79413	0.9
89.82643	1.0
96.95988	1.0
107.05037	12.2
118.90089	1.0
131.08681	1.2
150.34615	1.0
157.06596	7.5
159.04539	2.3
170.84618	0.9
175.07661	23.2
175.47598	1.0
184.63054	1.1
199.17043	1.3
201.05592	18.4
219.06633	100.0
220.06914	5.5
227.07199	14.1
245.08185	6.0
255.23239	1.1
339.15970	1.8
409.48322	1.0
419.25900	1.9
449.26947	1.6
465.26459	1.3
485.68896	1.0
493.26746	2.3
497.81882	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	494.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	77.5
60.01717	3.1
61.98837	32.4
71.01373	6.4
73.02940	4.9
74.81089	1.7
75.00480	2.2
75.00879	26.0
83.01360	2.3
85.02962	6.0
87.00927	1.6
89.02449	4.8
98.20641	6.0
101.02443	6.3
113.02448	3.6
117.03424	6.1
119.03529	2.0
119.05027	2.1
134.42554	1.9
135.04492	2.2
159.04495	2.2
161.02440	4.1
163.04005	5.6
201.11333	4.3
263.16766	2.2
268.03699	2.2
281.04626	2.3
283.06137	49.8
284.06488	3.4
293.04584	2.5
311.05630	92.5
312.05893	7.8
323.05487	2.6
341.06610	5.9
361.22321	7.6
362.22714	3.7
431.09866	100.0
432.10220	9.4
433.24652	5.2
434.24741	3.5
493.24551	1.6
493.30380	15.7
494.31073	9.9
495.31622	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	493.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92545	0.5
57.03455	3.8
59.01386	78.5
60.01721	8.7
61.01811	8.0
69.03485	0.8
70.43365	0.5
71.01389	1.2
71.05026	1.0
73.02965	1.4
74.00270	0.5
74.24126	0.6
75.00916	0.7
77.87936	0.6
85.02963	0.8
85.06596	1.0
89.02466	1.0
101.02457	1.0
101.57271	0.6
113.02498	1.0
120.91463	0.6
171.10306	2.0
183.13907	3.7
195.42296	0.6
201.15038	1.2
215.17688	0.7
229.28091	0.5
229.67654	0.6
229.97234	0.7
243.16153	1.0
271.09723	1.5
289.50388	0.6
329.23404	3.2
357.26678	3.1
375.27539	100.0
376.27844	9.6
493.30234	32.7
494.30325	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	493.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01350	0.5
57.03445	0.7
59.01384	100.0
60.01728	1.1
61.01822	0.6
61.98840	1.4
62.10046	0.5
69.31706	3.0
71.01390	3.9
73.02952	2.1
75.00867	1.1
83.01405	1.6
85.02974	2.0
87.00916	0.7
89.02461	1.3
95.01418	0.7
101.02448	3.2
113.02422	2.5
116.71125	0.4
135.04558	0.8
139.04111	0.4
151.00375	0.7
153.05542	0.4
161.04599	1.1
165.02023	0.6
226.70235	0.5
229.18217	1.1
240.43834	0.4
250.01923	0.5
254.05905	0.5
287.66339	0.5
335.16962	0.6
373.22308	11.6
375.27426	4.6
391.23413	6.8
392.23700	0.9
433.23987	2.6
493.23627	0.6
493.29953	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	493.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
59.01386	5.7
63.52187	0.3
68.34550	0.3
69.41780	2.5
71.01389	1.9
71.01720	0.3
71.05027	0.4
73.02942	1.4
75.00863	0.8
85.02935	0.6
87.04514	0.7
87.95337	0.4
89.02442	0.6
97.06561	0.6
101.02440	1.1
109.06570	0.4
111.08157	0.5
113.02468	0.8
113.09731	0.5
115.02614	0.3
117.01938	0.4
122.06122	0.7
123.08154	1.2
127.11253	0.4
135.03020	0.6
139.11234	0.5
141.09200	0.4
141.12830	0.5
143.10857	0.3
149.04543	0.3
153.09230	0.8
157.12346	1.4
169.12332	1.1
185.11838	2.5
215.12892	1.5
251.20152	0.4
293.21243	0.5
311.22400	0.8
313.11035	0.6
327.21835	0.6
327.25497	0.4
329.23282	2.6
331.24817	0.4
339.25293	0.6
355.25052	0.4
357.26483	3.7
358.26794	0.4
361.25995	0.4
373.26157	2.6
374.26837	0.4
375.27533	100.0
376.23380	0.6
376.27856	8.6
433.27518	0.3
450.21024	0.4
461.38174	0.4
493.30255	31.2
494.30621	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	493.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01384	100.0
59.61913	0.4
60.01723	0.5
60.82291	0.4
71.01389	2.6
73.02965	1.6
75.00878	3.8
83.01398	0.9
85.02975	1.8
89.02483	1.3
89.24442	0.4
95.01409	0.6
99.00906	0.7
101.02473	1.6
109.47160	0.4
113.02464	2.0
137.10590	0.4
139.11299	0.7
155.10771	0.5
161.04585	1.0
173.11858	0.6
176.60358	0.4
194.34953	0.4
199.09799	0.6
201.11374	1.0
209.71283	0.4
220.28418	0.4
229.18124	0.8
345.23056	0.5
348.31134	0.4
361.22278	2.7
373.22305	2.5
391.23386	2.8
433.24380	4.7
434.25070	0.6
493.19556	5.0
493.31088	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	493.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25528	0.3
56.87928	0.5
57.03458	0.8
59.01384	100.0
60.01715	1.2
61.98840	1.7
67.07006	0.5
69.25964	2.7
69.26387	0.8
71.01389	4.8
72.99339	0.4
73.02943	2.0
75.00888	2.2
80.06469	0.3
80.53059	0.4
82.82635	0.4
83.01396	0.9
83.05018	0.5
85.02963	2.3
87.00888	0.5
87.84214	0.4
89.02469	1.7
95.01411	0.4
99.00926	0.5
101.02447	3.2
109.02977	0.7
113.02460	2.4
119.03503	0.7
137.02466	0.6
137.09801	0.5
138.05669	0.9
151.00385	0.4
155.10849	0.7
161.04642	0.8
164.41995	0.4
165.01944	1.5
173.11880	0.9
179.05621	0.5
181.72542	0.4
195.05269	0.4
199.09779	1.0
199.13463	1.1
201.11391	0.4
213.11163	0.4
243.12383	0.5
271.19138	0.6
289.07492	0.5
289.12045	0.7
331.08249	1.5
345.22989	1.8
361.18835	4.0
361.22568	1.3
373.22333	3.1
375.27515	2.0
391.23438	5.5
391.27902	0.7
433.24380	6.8
478.55368	0.5
493.13345	0.5
493.19531	1.3
493.31039	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	493.26
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99304	0.3
65.20875	0.3
79.05534	1.8
107.05037	12.7
129.07108	0.9
131.08656	1.4
133.06593	0.9
157.06599	6.0
159.04567	2.7
160.05269	1.3
175.07658	20.0
176.07976	0.8
201.05582	15.2
202.05914	1.0
219.06630	100.0
220.06992	4.6
306.15826	0.3
416.36023	0.4
493.28632	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	493.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80088	0.3
69.88324	0.8
69.88736	0.8
79.05563	1.9
93.03439	0.3
107.05041	12.3
109.27227	0.3
119.12009	0.3
129.07057	0.4
131.08682	1.7
133.06609	0.7
147.20935	0.3
157.06601	4.8
159.04532	2.4
160.05264	1.2
175.07658	19.6
176.07968	0.8
201.05597	14.4
202.05898	0.7
210.91734	0.3
214.95918	0.3
219.06631	100.0
220.06964	4.6
226.09464	0.3
227.07056	0.4
295.16873	0.5
296.17340	0.5
297.17670	0.6
300.74442	0.3
327.67126	0.3
449.27066	0.7
493.26880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89280	0.7
57.03452	1.0
59.01385	100.0
60.01720	1.3
61.98835	6.7
62.17215	0.6
65.12222	0.7
71.01384	6.1
71.54464	1.2
72.99333	1.6
73.02953	2.7
75.00879	19.4
83.01414	1.2
85.02979	2.0
87.00889	1.4
89.02467	3.0
93.03469	0.8
101.02474	3.0
109.03001	1.0
113.02480	3.0
119.03542	1.4
123.04537	0.7
135.04588	0.9
137.02460	1.6
141.44920	0.7
153.51926	0.8
155.10864	1.3
161.02510	0.8
161.04625	1.6
165.02029	0.7
165.05708	0.7
171.10376	1.2
191.10686	0.7
199.09776	1.3
201.11494	1.0
225.11423	0.7
233.40440	0.8
256.78232	0.7
268.03986	0.8
271.05917	1.2
272.06973	0.7
283.06100	8.8
285.11884	0.7
311.05615	16.2
311.09094	1.0
329.11453	1.0
341.06793	1.1
361.22311	4.1
373.22366	1.7
391.23569	1.7
431.09772	18.1
431.15094	1.0
433.24594	7.1
451.25708	1.5
493.19482	3.8
493.30374	18.4
494.31070	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	493.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01387	100.0
60.01720	3.6
61.01802	2.6
62.72083	0.8
71.01387	6.2
71.54585	1.1
73.02963	3.2
75.00883	15.3
83.01396	1.4
85.02965	3.5
87.00911	0.9
89.02462	2.9
95.01394	0.9
96.31657	0.8
99.04482	0.9
100.84290	0.8
101.02463	4.6
113.02448	4.0
119.03524	1.4
123.04621	0.8
133.48877	0.7
137.02444	1.2
155.10854	1.2
161.04581	1.6
173.04640	1.1
201.11259	1.1
271.10391	1.0
361.22299	4.1
391.22949	0.9
433.24802	4.8
493.18942	8.8
493.30487	15.4
494.30615	1.8
509.20840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.3
57.03446	5.8
59.01384	100.0
61.98830	10.6
69.03432	3.3
69.91559	9.3
69.91964	6.5
71.01389	41.0
72.99328	4.5
73.02953	12.1
75.00871	6.5
75.85702	2.8
83.01395	5.6
85.02950	17.8
87.00879	11.6
88.98838	5.7
89.02451	29.3
94.55535	3.9
95.01389	6.1
96.96023	7.9
98.20588	3.4
99.00887	7.8
100.99555	3.0
101.02448	22.6
109.02960	5.1
113.02458	19.4
119.03525	5.6
121.10207	4.1
123.04535	7.9
123.39558	3.0
124.01673	9.0
125.02403	3.3
125.06056	4.1
129.01897	3.1
137.02521	2.9
137.09680	3.5
138.76695	3.3
139.04021	20.1
149.02319	3.5
149.04596	4.1
160.04065	3.9
161.04626	8.4
167.03510	3.5
167.68642	3.5
175.02530	3.2
185.08218	3.3
195.06508	3.9
257.13025	3.6
271.06229	3.7
273.98254	3.7
293.08722	5.7
313.11765	6.7
331.08203	19.2
331.12503	4.5
345.15512	9.8
389.21786	6.5
407.22742	5.0
433.24200	4.5
449.24130	4.4
457.13275	4.2
493.13104	7.9
493.19043	21.7
494.18912	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	493.2599
Annotation	Artesieversin
Peak:m/z	Relative Intensity
51.42287	0.6
59.01402	0.8
61.98823	0.9
69.86790	3.2
79.05544	2.2
90.25539	0.6
98.19971	0.9
107.01410	1.4
107.05041	7.0
108.02212	1.4
109.02982	2.4
109.06621	1.2
123.00903	0.9
131.08646	0.7
135.04475	1.2
136.01640	2.1
137.02464	1.0
153.02029	0.9
157.06592	3.6
159.04544	3.4
159.08142	1.9
161.02409	1.1
165.01990	1.4
171.04510	1.6
173.06104	1.0
175.04095	1.2
175.07661	25.8
176.08023	1.0
179.03528	5.3
187.04008	2.3
187.07570	0.8
188.93413	0.8
199.03931	0.9
201.05583	4.0
201.09302	0.7
202.06209	1.1
203.07123	1.0
208.73523	0.6
213.09290	0.9
215.07042	1.4
217.08708	6.9
225.05653	0.6
225.09361	0.8
227.07181	2.3
228.07861	1.2
229.08708	0.9
231.17599	1.0
235.07700	2.1
239.10922	1.3
240.08203	1.2
247.20763	0.7
255.10390	0.8
273.18616	3.7
275.10904	0.7
283.13431	1.7
293.76382	0.7
317.17517	2.1
319.13477	4.8
320.14349	1.1
323.20352	0.9
361.21701	0.8
405.28229	0.8
408.18909	3.8
431.20172	0.8
431.26001	5.8
449.26999	49.3
450.27496	6.0
475.25253	1.5
493.25998	100.0
494.26318	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	493.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
60.56271	1.1
71.54632	1.3
82.51853	0.9
91.01857	1.0
96.96014	1.3
107.05031	1.0
108.82086	1.0
125.09486	1.2
159.04523	100.0
160.04831	2.7
166.40073	1.1
167.03349	1.4
175.07616	2.4
186.17911	1.0
199.07649	1.5
211.13510	1.5
213.09166	4.8
217.08679	1.2
239.07295	1.6
249.09100	1.5
250.10007	3.5
251.10786	4.7
257.08191	4.2
258.08755	1.1
264.96097	1.1
281.15454	1.4
282.08884	4.2
284.60745	1.2
303.14059	1.7
307.13455	1.3
373.21759	52.3
374.22183	6.0
399.19745	3.3
408.19196	2.5
417.20743	96.0
418.21124	10.3
431.21976	1.4
449.22632	1.6
449.27893	1.3
493.26044	24.1
494.26498	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	493.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.01401	0.8
57.03453	2.0
59.01385	33.2
59.20788	0.8
60.01723	1.0
61.01800	0.9
61.98812	2.1
65.00315	1.3
69.29455	3.2
69.29883	3.5
71.01392	19.7
72.99311	1.5
73.02951	6.5
75.00871	3.3
83.01398	3.8
85.02962	8.5
87.00857	1.1
89.02460	5.8
91.84334	0.9
92.18595	0.8
95.01408	1.3
96.96046	1.1
99.00885	2.8
99.04562	0.8
101.02450	13.7
107.01404	1.1
109.02943	1.0
113.02444	5.9
116.92903	1.2
119.03517	1.8
122.03740	2.7
123.04520	0.9
129.01985	1.0
135.04555	4.5
136.04875	1.5
137.02385	1.1
137.05148	1.1
137.06102	2.4
138.03104	1.0
145.41180	0.8
148.04010	1.0
149.04497	1.0
151.00395	4.1
151.11272	7.1
152.00752	1.9
153.00806	1.3
155.10774	1.1
161.04506	1.0
166.05067	1.4
169.12247	1.1
181.12317	1.8
195.04851	0.9
199.13419	9.9
213.11328	8.1
233.64073	0.9
243.10284	3.2
271.19135	1.3
286.04037	1.4
287.05569	2.3
287.09369	1.0
288.05859	3.0
289.06067	3.6
331.08398	0.8
331.12799	1.4
343.17548	1.2
345.15500	1.3
345.22827	4.1
361.18686	100.0
362.18948	8.1
370.45041	1.0
375.27618	1.8
433.24411	1.4
449.14786	1.1
493.12643	3.5
493.22946	17.7
493.29852	2.9
494.23050	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	493.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44965	2.0
57.03450	4.0
59.01385	100.0
65.19776	1.7
69.38531	7.4
69.38956	7.5
71.01389	15.0
73.02953	7.6
83.01382	3.6
85.02956	7.9
87.00886	2.4
89.02459	5.7
101.02451	10.5
113.02453	6.5
118.32379	1.9
122.06127	4.7
124.01690	12.2
139.04012	9.1
149.04523	2.9
152.01207	2.1
152.07164	10.4
153.07504	1.9
161.04539	3.8
176.01091	6.8
191.03476	8.1
193.25677	2.0
199.13371	2.9
233.46210	2.0
240.12181	2.8
283.10904	6.1
284.11166	8.2
296.11292	2.2
307.89706	2.2
312.18188	2.2
331.08313	7.1
351.45776	2.1
361.18576	9.8
361.22351	2.4
361.25909	3.0
373.22321	12.6
375.27530	31.2
391.23303	3.8
449.19260	12.2
452.79861	2.7
493.12308	4.1
493.17871	4.6
493.23340	6.9
493.30197	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	493.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.4
59.01384	100.0
60.01710	3.4
60.24262	1.5
61.01792	1.7
61.98831	3.9
63.84079	1.7
71.01381	18.0
73.02950	8.8
75.00869	5.9
83.01395	3.5
83.30620	1.7
85.02948	5.5
87.00899	2.0
89.02446	5.4
94.06652	1.6
95.01384	2.0
98.20120	9.3
99.00898	2.2
101.02448	12.9
101.71183	1.6
113.02455	5.4
119.03463	2.2
122.06109	4.6
124.01678	22.4
131.61566	1.7
134.06218	1.7
139.04033	10.6
149.04607	2.1
152.07173	6.7
153.07513	2.3
161.04588	3.7
161.56247	1.6
166.04973	2.0
169.12439	1.6
176.01187	14.5
191.03543	15.2
199.13351	2.3
243.15955	1.7
269.13028	2.0
283.10846	2.2
284.11301	4.5
311.11957	1.9
331.08231	14.6
331.12961	25.7
332.13141	2.3
345.22949	3.6
361.18570	13.5
361.22479	4.0
373.22470	7.9
375.27579	16.4
391.23297	4.8
433.24203	4.4
449.19064	7.1
493.12714	4.3
493.23453	8.5
493.30566	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	493.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.7
67.01875	0.9
70.33094	1.0
78.95918	3.7
96.96037	3.5
104.55706	1.0
109.02924	1.5
121.02962	1.6
122.92834	1.0
133.03001	2.2
137.02467	2.2
148.05287	1.8
149.02499	2.7
157.06645	2.0
159.04596	1.5
159.08173	4.2
161.02470	3.1
167.03535	3.9
171.10291	3.0
177.01933	7.6
185.06223	1.1
187.04114	1.8
191.03497	1.3
192.04225	1.6
195.95209	1.0
199.05595	1.1
201.01755	1.0
201.05554	1.7
203.07169	22.5
204.07460	1.7
209.11867	6.0
221.08267	5.4
247.13461	1.6
283.06015	1.3
288.31357	1.0
364.22296	1.1
381.09781	10.1
382.10226	1.5
395.11230	1.9
396.12103	5.5
411.14526	100.0
412.14883	9.0
416.25195	1.1
475.26913	1.8
493.26694	5.6
494.26691	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	493.1141
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
59.01384	8.8
59.22221	0.9
61.73086	1.0
61.98831	1.5
63.02394	1.7
65.00316	1.7
70.18884	4.0
79.59603	0.8
80.93454	0.9
83.01398	2.1
103.21745	0.9
107.01390	3.5
109.02966	0.9
117.03503	1.4
125.02409	1.1
127.03822	0.9
133.02959	11.2
135.04510	1.4
136.01665	1.0
149.02434	2.5
151.00368	9.9
159.04491	1.2
171.10216	1.2
175.04007	3.4
179.03259	0.9
183.04607	2.2
187.04066	1.2
199.03999	4.3
201.02022	1.7
211.04010	1.3
217.05090	1.8
227.03575	4.0
241.04959	1.9
255.03001	69.2
256.03751	38.9
257.04196	3.1
283.02490	92.9
284.03259	100.0
285.04028	97.6
286.04324	4.8
289.17554	1.0
316.57126	1.0
360.28082	1.0
420.71191	0.9
475.10056	2.0
493.11652	15.4
493.18750	3.0
493.27789	0.8
494.11603	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	493.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31054	0.5
83.13326	0.4
99.92599	24.2
100.92653	0.9
100.93376	1.4
101.76797	0.5
106.86032	0.4
109.31773	0.5
115.92091	9.4
116.92875	100.0
117.92893	4.2
117.93669	0.9
121.02930	1.0
123.00900	0.7
128.90251	0.4
135.04552	0.9
169.06615	0.5
173.06058	0.6
185.06088	0.9
187.04048	0.6
191.27495	0.5
211.07495	0.6
213.09232	0.7
223.07697	1.8
225.09259	2.3
226.10043	0.6
229.05011	0.6
233.96280	1.6
237.09253	1.5
263.10849	1.1
271.00836	0.6
273.99435	0.6
275.10901	1.4
277.12448	0.8
279.23209	0.6
284.98920	0.6
299.97406	0.8
302.99683	0.7
303.09894	0.6
311.00305	0.6
314.99670	2.6
322.03000	0.8
323.00125	0.6
325.01700	4.3
326.02390	0.9
328.97577	1.2
329.19168	0.8
332.98880	0.5
337.01752	1.6
338.99826	0.6
341.01572	0.7
345.18652	1.1
347.20193	1.1
350.99744	0.7
353.01300	1.0
362.06274	4.6
362.99890	0.8
364.00436	1.8
365.01318	0.6
367.02814	0.6
373.18088	7.1
374.18497	0.7
376.04099	1.7
377.05045	0.5
380.07394	1.7
389.04855	0.6
391.02850	1.4
391.19122	8.6
392.19543	0.8
393.20712	0.8
394.05209	2.8
395.05679	0.5
395.10849	0.6
405.04480	0.7
406.05161	42.7
407.05453	5.4
413.12201	0.7
431.13239	1.5
445.11121	3.1
449.14258	4.8
450.14532	0.7
457.11334	1.5
459.09055	0.5
463.12399	1.5
475.12216	51.6
476.12451	7.8
481.13385	0.5
489.10330	1.9
493.13272	11.1
494.13858	1.9
507.11169	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.2
61.98838	4.7
68.98431	0.8
70.99419	1.8
71.01390	7.5
72.99296	0.9
73.02958	2.0
74.97685	0.8
75.00886	0.9
83.01422	1.0
83.05014	0.8
85.02969	2.8
87.00887	2.4
88.98836	0.8
89.02448	6.3
90.02743	0.8
91.25951	0.8
93.03441	1.0
96.96015	7.9
97.06586	1.3
99.00905	1.5
101.02442	4.8
109.98718	0.7
113.02434	3.0
119.05037	74.8
120.05370	1.5
133.06572	1.4
135.08139	1.2
149.04593	1.0
151.07689	1.1
158.62982	0.8
161.04544	1.7
163.04016	100.0
164.04349	3.4
171.61903	0.9
203.89951	0.9
205.05009	1.6
242.38290	1.0
313.16592	5.2
325.09286	2.4
397.11472	1.1
403.86682	0.8
433.24438	1.1
457.13513	49.6
458.13831	5.5
474.83160	1.1
493.18719	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	3.4
69.56766	3.5
78.68202	0.5
80.19884	0.6
98.04178	0.6
106.79636	0.7
107.05013	2.6
107.48623	0.6
109.28625	0.6
135.04552	1.5
149.02464	0.9
149.06119	1.3
188.08430	1.3
213.09238	0.9
216.03931	0.6
219.06685	0.6
225.09238	34.5
226.09892	3.3
237.09184	1.9
239.10870	3.4
240.11482	0.8
241.12389	1.2
278.78812	0.6
279.13928	20.4
280.14340	0.7
305.11514	0.7
323.13202	0.8
363.18652	1.0
363.23328	34.2
364.23700	5.0
407.22314	100.0
408.22644	11.2
448.29370	2.7
491.27966	0.7
492.20148	5.5
492.28375	5.8
493.20053	1.0
493.28375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2734
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
51.18998	0.7
51.20852	0.7
59.01387	2.6
61.98831	1.4
67.01882	1.5
68.34500	0.6
69.37593	5.5
78.95911	100.0
93.00143	0.7
95.97405	0.7
96.96040	1.3
96.96964	9.0
98.19917	1.1
122.34241	0.7
148.05219	0.9
152.99603	17.3
171.00650	19.9
178.53311	0.7
203.03429	0.7
203.07135	0.9
209.11787	3.9
214.09547	1.2
225.09230	2.2
226.09581	2.3
239.10760	3.2
240.11206	3.4
269.08325	0.9
273.34515	0.8
284.10281	0.8
348.20538	2.3
366.21625	2.4
392.19666	0.9
395.15170	1.5
407.18683	1.7
409.20251	1.7
410.20581	16.6
411.20715	1.0
418.23627	1.6
475.25995	0.8
492.27350	70.7
493.27646	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	492.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
59.01369	1.2
61.98837	2.7
69.32034	3.4
78.94396	0.4
79.05546	0.9
83.05033	14.3
89.16843	0.4
93.03448	0.5
95.05041	1.9
98.19913	0.7
106.04222	0.5
107.05029	3.0
113.83971	0.4
119.05064	0.6
121.02994	0.8
121.06557	1.0
122.03748	2.5
123.08199	1.1
130.15222	0.4
135.04543	2.2
135.05467	0.4
135.08170	1.6
136.05305	0.7
137.09711	0.5
143.05020	0.5
149.02440	0.9
157.06615	1.1
158.07350	0.5
161.06210	0.5
169.06592	1.2
171.08159	1.6
173.02434	0.5
176.08389	0.9
183.08086	0.8
185.06143	0.4
185.09795	0.7
188.08406	1.0
195.08206	0.6
197.09703	1.5
209.09639	0.6
211.07567	0.7
213.09229	15.2
217.73714	0.5
223.11259	0.8
225.09238	5.9
226.09808	1.0
227.10786	1.7
235.11241	1.5
239.10803	1.3
241.08904	0.9
249.12790	0.9
251.07086	0.7
261.12836	2.8
265.08740	0.6
267.13922	6.3
268.14349	0.6
279.13934	6.2
293.15524	0.7
319.17093	1.5
327.17529	0.4
345.18655	1.6
363.19620	1.3
389.17587	35.8
390.17899	4.0
407.18640	100.0
408.18982	11.0
492.16431	3.7
492.23331	0.7
493.16806	0.5
493.25620	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	492.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46032	2.4
54.54306	2.8
58.74277	2.6
59.01384	47.4
61.98838	11.0
69.48857	19.1
71.01398	21.3
73.02968	7.8
75.00874	3.2
83.01392	4.2
85.02979	5.5
87.00880	4.1
88.98834	6.5
89.02456	16.9
89.02954	2.9
89.71725	2.5
96.96010	4.8
99.00921	3.8
101.02449	12.5
108.01405	3.0
108.02158	7.6
113.02477	8.2
123.03255	9.7
125.02456	7.4
131.03560	3.8
138.01985	68.2
138.05627	100.0
138.06668	6.1
142.90898	2.6
149.04573	3.5
161.04558	4.8
163.03999	3.5
167.03394	2.8
180.06679	4.3
197.73291	2.9
293.08905	7.3
432.15158	47.4
433.15564	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	492.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
61.98838	3.5
69.83193	0.4
70.34070	0.5
71.21513	0.8
83.05032	0.7
85.02959	0.5
96.96066	0.4
98.19995	0.5
101.02425	0.5
121.02896	0.4
123.08169	0.6
152.91750	0.5
169.06589	1.0
179.08708	3.2
180.05814	0.5
189.53607	0.5
195.08017	0.6
196.08896	0.9
209.06017	1.0
209.11829	0.7
210.06799	1.0
211.07664	3.6
212.08049	0.6
223.07658	34.4
224.08403	7.5
225.09109	2.1
235.05540	0.7
235.07582	2.6
237.09264	1.3
239.07210	0.5
246.10471	0.6
250.69017	0.4
251.07106	1.4
254.05890	0.4
256.07333	1.6
259.11395	0.7
261.05756	0.5
261.09195	0.6
262.06296	0.7
263.07138	8.7
264.07645	1.9
275.07153	1.6
275.10269	0.4
279.06711	0.5
279.13910	0.6
283.11243	0.6
289.08716	1.5
289.11899	0.4
290.09406	1.2
293.15451	6.5
294.15823	0.6
300.11481	0.5
301.12158	1.1
303.10336	1.1
305.12469	0.5
305.15500	2.8
317.11942	0.9
318.12561	4.2
319.13315	3.4
322.08466	0.7
329.11835	0.8
331.13345	1.5
345.18707	3.7
357.20712	0.8
361.18350	0.9
363.15228	0.9
363.19678	11.0
364.20020	1.0
370.14230	0.5
371.16498	0.9
389.17596	16.4
390.17859	1.0
404.19385	1.4
407.18655	100.0
408.19006	10.9
426.47037	0.4
429.15475	0.4
430.17075	0.9
448.18188	1.1
492.16437	4.8
492.24063	0.6
493.17746	0.5
493.26309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66032	0.7
59.01368	3.3
61.98830	4.0
68.87859	0.7
69.52295	0.8
73.87006	0.7
78.95912	28.7
96.96975	2.8
103.34898	0.7
123.08179	1.7
126.93082	0.7
131.68799	0.7
135.08200	0.8
152.99634	5.4
159.13121	0.7
169.06615	1.1
171.00668	5.0
179.08682	3.0
196.09027	1.0
209.06012	1.7
209.11800	1.2
210.06700	1.3
211.07629	2.7
223.07654	39.3
224.08348	6.7
229.64658	0.7
235.07649	5.2
237.09210	0.9
239.03528	1.0
239.07133	1.2
256.07477	1.1
261.09268	2.2
263.10800	2.2
269.48502	0.8
275.07184	4.8
275.09732	1.0
289.08740	6.4
290.09467	2.3
292.85034	0.8
305.15527	8.3
313.12234	1.2
322.08566	1.8
327.17679	0.8
329.11810	2.3
331.13446	2.4
345.18683	8.1
363.19846	5.4
371.16599	1.4
389.17688	8.6
394.29559	1.0
407.18655	100.0
408.18985	9.4
418.23380	0.8
492.16663	6.0
492.27322	19.5
492.34225	1.6
493.26767	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	492.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22586	1.4
59.01385	31.4
60.44983	1.4
61.98822	5.8
69.85327	7.6
71.01397	12.5
73.02943	4.7
75.00876	2.0
83.01397	2.5
85.02954	4.1
87.00850	1.9
88.98820	1.8
89.02450	10.6
92.78073	1.4
96.96024	3.6
97.02928	1.8
99.00873	2.7
101.02454	5.9
108.02218	7.6
113.02438	5.4
123.03272	3.4
125.02451	1.9
131.03531	2.7
138.01982	100.0
138.05611	51.5
139.02324	3.4
149.04613	3.2
151.74919	1.5
165.05469	1.6
166.05086	1.7
180.06764	1.9
222.28560	1.7
244.83595	1.7
293.08795	3.4
339.55524	1.6
345.15588	1.8
360.81339	1.4
383.86325	1.4
432.15182	17.6
450.48767	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	492.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
61.98838	3.5
69.83193	0.4
70.34070	0.5
71.21513	0.8
83.05032	0.7
85.02959	0.5
96.96066	0.4
98.19995	0.5
101.02425	0.5
121.02896	0.4
123.08169	0.6
152.91750	0.5
169.06589	1.0
179.08708	3.2
180.05814	0.5
189.53607	0.5
195.08017	0.6
196.08896	0.9
209.06017	1.0
209.11829	0.7
210.06799	1.0
211.07664	3.6
212.08049	0.6
223.07658	34.4
224.08403	7.5
225.09109	2.1
235.05540	0.7
235.07582	2.6
237.09264	1.3
239.07210	0.5
246.10471	0.6
250.69017	0.4
251.07106	1.4
254.05890	0.4
256.07333	1.6
259.11395	0.7
261.05756	0.5
261.09195	0.6
262.06296	0.7
263.07138	8.7
264.07645	1.9
275.07153	1.6
275.10269	0.4
279.06711	0.5
279.13910	0.6
283.11243	0.6
289.08716	1.5
289.11899	0.4
290.09406	1.2
293.15451	6.5
294.15823	0.6
300.11481	0.5
301.12158	1.1
303.10336	1.1
305.12469	0.5
305.15500	2.8
317.11942	0.9
318.12561	4.2
319.13315	3.4
322.08466	0.7
329.11835	0.8
331.13345	1.5
345.18707	3.7
357.20712	0.8
361.18350	0.9
363.15228	0.9
363.19678	11.0
364.20020	1.0
370.14230	0.5
371.16498	0.9
389.17596	16.4
390.17859	1.0
404.19385	1.4
407.18655	100.0
408.19006	10.9
426.47037	0.4
429.15475	0.4
430.17075	0.9
448.18188	1.1
492.16437	4.8
492.24063	0.6
493.17746	0.5
493.26309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03379	1.5
59.01305	6.3
59.01635	0.9
69.53130	1.8
71.01312	1.5
72.99259	0.5
73.02875	0.8
75.00813	0.4
75.87429	0.3
81.04388	0.2
83.01325	0.3
85.02879	1.1
85.06528	0.4
86.16940	0.3
87.00827	0.5
89.02386	0.5
91.97392	0.3
93.03457	2.7
98.20670	0.3
99.00829	0.6
101.02377	0.5
113.02370	1.0
121.02965	2.9
131.03421	0.4
132.02100	0.3
135.04466	0.5
137.02458	7.1
138.02682	0.4
151.00305	0.3
183.04489	0.4
193.03436	0.5
206.73534	0.3
209.08127	0.7
211.03949	0.3
227.16425	1.4
239.03412	1.8
267.02966	2.9
268.03647	1.4
271.22678	0.4
282.05362	7.8
283.06003	2.5
284.06131	0.3
295.22745	0.5
311.22668	0.3
311.25931	1.1
313.23843	6.8
314.24344	0.3
341.26953	1.7
353.08774	0.3
357.26654	0.7
359.28043	100.0
360.28397	8.3
366.95306	0.3
369.08435	0.4
373.25955	0.5
379.37314	0.3
491.12076	1.5
491.32440	11.0
492.32535	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	491.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25253	0.6
55.19738	0.6
57.03456	3.3
59.01384	100.0
60.01733	1.6
61.98837	0.8
68.99846	0.5
69.31414	2.1
69.31845	3.1
71.01386	9.0
73.02961	5.4
75.00902	1.1
83.01409	2.1
85.02965	3.9
85.06594	1.1
87.00887	4.8
87.04543	0.9
88.26401	0.7
89.02479	2.7
93.03433	0.8
95.01405	1.6
96.58368	0.6
99.00848	1.0
101.02464	6.7
103.44748	0.5
113.02471	5.5
119.03519	0.9
121.02999	2.4
123.04568	0.9
123.08143	1.2
125.02461	1.6
125.09777	2.8
127.38671	0.7
129.40042	0.7
130.29291	0.6
130.99879	1.6
137.02470	1.4
143.03551	1.0
147.04602	0.8
161.04630	2.7
165.05701	0.8
179.03522	1.1
191.03511	0.6
193.04941	0.7
199.13403	1.4
205.05157	0.8
207.03014	8.0
208.03702	1.3
222.05359	7.3
223.06229	1.6
237.07658	5.0
286.08356	0.7
287.08850	0.9
287.22415	1.3
327.22095	1.6
355.25049	1.0
371.20813	2.4
373.25967	66.9
374.26309	5.9
389.22000	1.3
431.10443	0.7
431.26804	6.2
447.17508	0.7
449.27481	4.4
459.09576	1.7
491.11871	5.3
491.28488	18.5
492.29102	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	491.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11827	0.4
57.03526	1.9
59.01458	27.0
67.55833	0.3
69.19061	3.5
69.19485	1.1
71.01475	3.5
71.24597	0.4
72.99030	0.7
72.99406	1.8
73.03049	1.9
75.00967	2.4
78.05650	0.4
80.44991	0.4
83.01448	0.4
85.03056	1.8
87.00949	0.6
87.04607	0.5
89.02566	1.8
95.01524	0.4
96.96159	0.4
97.06650	0.5
99.00928	0.4
99.23763	0.4
101.02563	2.0
101.12386	0.4
108.02292	0.4
109.06664	0.5
111.08237	0.6
113.02579	1.5
117.02032	0.6
117.70805	0.5
119.03577	0.7
121.06703	0.4
123.08286	1.4
125.09699	3.3
127.11273	2.0
135.03101	0.7
137.09854	1.5
141.09309	0.8
143.10869	0.7
152.01346	0.4
153.09341	0.8
153.12918	0.4
155.10822	2.2
161.04643	0.5
167.03598	0.6
171.10278	10.4
183.14026	1.5
185.11909	0.7
199.13460	0.5
201.15150	0.6
227.13013	0.5
230.15335	1.0
243.06609	0.5
243.16008	0.5
267.10583	0.5
287.22363	1.4
295.82315	0.5
327.21878	0.9
328.02539	0.4
343.24896	1.0
345.88959	0.4
355.25000	2.4
359.24289	1.1
371.24420	1.3
373.25949	100.0
374.26303	7.9
389.21893	0.5
431.26407	1.3
449.27402	1.6
491.15283	4.5
491.28488	33.2
492.15976	0.6
492.28891	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.6
67.75858	0.4
69.27473	3.2
69.27883	0.8
73.40682	0.5
83.05037	2.3
98.20609	0.8
104.55597	0.5
107.05032	0.9
108.02190	0.4
134.03703	0.6
148.72282	0.5
149.02426	0.7
149.06049	1.6
151.00444	0.9
159.04480	0.9
175.07660	0.7
185.72900	0.5
204.11736	0.5
211.11417	0.5
219.06601	1.3
225.09229	35.5
226.09657	2.3
237.09204	6.8
238.09753	0.7
239.10785	1.5
263.81482	0.5
279.13931	1.9
293.15540	1.6
294.16080	0.5
295.17053	100.0
295.92712	0.5
296.17404	7.0
305.11810	0.5
305.15262	0.7
339.16129	3.0
359.20074	0.6
377.21127	0.8
429.27954	4.6
433.27600	0.5
447.29028	4.6
489.38156	0.5
491.28162	23.0
492.28354	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37792	0.4
59.01401	0.6
60.85447	0.4
67.81505	0.4
71.00701	0.5
80.05048	0.5
83.05054	2.2
107.05055	1.1
114.40382	0.4
119.05056	0.7
121.02998	0.7
134.03751	1.8
135.04556	3.2
137.02435	0.9
149.02449	2.1
149.06110	2.4
163.04016	0.8
175.07726	0.6
178.97305	0.5
179.08784	0.6
189.16495	2.7
193.05077	1.3
211.11287	1.1
213.15099	0.5
219.06714	0.5
225.09224	64.6
226.09802	6.8
227.10704	1.0
239.10733	3.0
240.11310	0.7
241.12386	5.1
245.08241	0.5
255.10278	1.1
263.14453	0.9
269.08237	4.6
272.10611	1.5
279.14017	3.0
283.09735	1.1
293.12476	0.5
293.15555	2.1
305.11914	0.9
307.13400	0.6
307.16879	0.9
319.17172	0.6
323.12909	1.8
345.18719	0.6
349.21835	4.0
358.28781	0.6
359.20288	0.8
377.21149	2.5
429.27930	3.3
447.29086	7.7
488.32797	0.5
491.28070	100.0
492.28415	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	491.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
70.70253	1.5
71.08967	2.4
101.08842	1.6
149.06100	1.9
161.02275	1.5
219.65070	2.0
225.09232	39.5
226.09656	2.2
237.09187	10.7
238.19827	1.7
295.17099	45.3
296.17581	3.4
339.16034	100.0
340.16397	8.9
435.32541	1.7
452.51349	1.7
491.27991	6.8
491.35178	9.5
492.35678	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.281
Annotation	Kermadecin F
Peak:m/z	Relative Intensity
59.68246	0.8
70.77068	1.8
70.77422	0.8
79.50182	0.7
109.06535	1.1
137.25967	0.8
147.04568	0.9
147.31149	0.8
159.04521	14.7
173.06122	1.5
225.09236	10.2
237.09152	3.9
239.10822	2.1
249.09264	1.3
251.10849	3.4
263.39981	0.8
279.14017	4.4
281.15497	1.0
282.09174	1.0
291.13879	6.0
292.14563	0.9
293.15482	2.7
295.17041	13.2
296.17368	1.3
305.11987	1.7
305.15503	33.7
306.15845	2.9
333.18671	1.4
335.20148	1.6
345.18616	1.9
359.20068	1.7
362.18671	1.0
363.19812	5.6
371.20514	1.0
377.21246	21.0
378.21588	2.1
389.17551	1.2
429.28232	3.7
447.29044	17.8
448.29535	2.3
476.11505	1.0
491.28079	100.0
492.28400	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	491.2809
Annotation	Kermadecin F
Peak:m/z	Relative Intensity
51.76393	0.5
54.42957	0.5
56.08483	0.5
59.01383	3.3
60.73555	0.4
63.72276	0.5
70.49188	1.6
107.05004	0.7
116.92854	0.9
125.02416	0.5
133.43579	0.6
135.04541	2.3
149.02437	0.8
149.06084	2.5
159.04523	2.8
162.06918	0.6
175.07626	0.6
187.07626	0.5
191.14297	0.5
197.19205	0.5
201.09116	0.7
205.16019	1.7
207.17490	0.6
211.07726	0.6
212.08629	0.5
223.07545	0.5
225.09233	33.2
226.09662	3.0
227.10805	0.7
237.09244	1.2
239.10783	1.9
243.13982	0.6
251.10800	0.9
272.10638	0.9
279.14072	0.9
291.13980	4.4
293.15515	4.2
295.16818	0.6
305.15485	1.8
313.23880	0.6
335.20279	1.6
345.18597	1.1
349.21890	3.9
363.19623	1.6
371.20068	1.1
377.25021	1.2
399.23495	0.6
415.26410	0.6
429.28088	6.1
447.29092	32.1
448.29483	4.1
463.25119	0.7
491.28085	100.0
492.28430	13.1
517.85413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50307	0.6
69.50660	3.8
69.89249	0.5
83.05022	2.6
92.04542	0.5
96.95980	0.7
107.05047	1.5
119.05003	0.9
122.85386	0.5
134.03729	2.2
135.04561	3.3
149.02444	1.7
149.06065	2.6
163.04012	0.7
189.16455	1.5
193.04950	0.7
211.11232	0.8
219.06662	0.6
225.09229	70.5
226.09778	5.6
227.10701	0.9
239.10843	4.2
240.11690	0.7
241.12331	4.3
251.10640	0.7
263.14331	0.7
269.08218	4.1
272.10596	2.1
279.13983	3.0
283.09683	1.1
293.15576	0.9
305.11841	1.5
305.15353	0.9
307.13354	0.8
323.12897	1.2
349.21808	4.2
359.20294	1.1
377.21228	2.2
383.85806	0.6
429.28006	2.5
430.28732	0.6
447.29053	11.0
448.29465	0.9
491.28091	100.0
492.28476	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.267
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.56053	0.8
59.01382	7.9
62.88212	0.8
66.03474	1.6
70.34686	0.8
71.02486	1.9
71.21162	1.2
71.21477	1.2
82.01725	1.0
86.03016	0.8
96.95973	1.0
107.05030	1.7
110.03618	1.1
115.08780	9.5
116.05076	1.3
118.06642	4.3
119.05041	3.0
121.02923	0.9
122.03792	1.0
125.07195	2.5
126.05592	1.7
132.70677	1.0
135.04552	6.5
141.06729	3.9
146.06116	7.3
149.55769	0.9
152.08276	1.5
153.06647	1.0
163.08775	1.4
168.07745	1.4
170.09332	2.4
173.07167	1.4
179.11909	3.6
193.11694	0.8
196.14542	1.2
200.10809	1.7
202.12381	1.3
213.09184	7.5
214.15709	4.5
216.07837	0.9
225.09207	4.4
226.10124	4.5
227.11833	2.9
228.10324	2.7
240.07820	2.2
241.12476	1.1
245.12987	2.5
248.10864	2.0
262.15671	3.9
309.18570	2.7
326.18842	4.4
344.19742	2.2
347.20273	1.9
355.15518	1.6
365.21368	8.0
407.18665	3.0
409.20215	47.3
410.20630	3.8
431.07162	1.5
465.21167	1.4
491.26645	100.0
492.26840	9.0
515.29761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.4
59.01387	100.0
71.01398	4.2
71.54913	0.8
73.02953	0.9
83.01398	1.0
83.05064	0.5
85.02972	3.3
87.00896	1.3
89.02479	0.7
95.01415	0.5
101.02462	1.3
111.08160	1.0
113.02467	5.3
135.99654	0.6
145.96722	0.5
151.00415	2.0
161.02502	0.6
161.04590	1.0
165.12859	8.6
165.14166	0.8
171.10287	0.7
183.13918	11.9
183.15414	0.9
207.62988	0.5
227.13008	1.8
249.06221	0.9
263.07770	1.1
270.05334	1.0
271.05789	1.3
272.06027	1.3
281.08829	6.2
285.07849	2.2
286.08060	1.4
287.08273	2.9
287.22488	0.6
329.06796	3.0
373.25900	6.7
373.30096	0.7
449.27762	0.8
459.18875	1.1
466.38962	0.6
491.12280	1.9
491.21558	11.7
491.28705	5.4
492.21643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42342	0.5
55.81032	0.5
57.11698	0.6
59.01385	100.0
60.01719	0.8
69.34371	2.9
69.34791	1.8
71.01386	3.9
73.02950	1.5
85.02961	1.7
89.02470	1.8
101.02468	2.7
107.54141	0.5
113.02462	4.5
119.03480	0.5
161.04582	1.6
178.78619	0.6
194.15128	0.6
227.16582	1.7
241.29648	0.5
269.04688	2.0
310.20810	0.6
359.35687	0.5
371.20721	6.1
372.21509	0.6
374.21118	0.6
379.78561	0.5
389.21973	3.5
431.10376	0.7
431.22763	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	491.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44579	0.4
52.06856	0.4
57.03444	0.5
59.01385	100.0
60.01711	0.9
69.23441	4.0
71.01396	2.9
72.99297	0.4
73.02967	1.3
75.00891	1.6
75.28461	0.5
82.55782	0.4
83.57791	0.3
85.02981	1.7
85.06455	0.4
89.02478	1.3
95.60133	0.4
99.00877	0.5
101.02474	1.5
112.26665	0.3
113.02477	0.9
119.03507	0.6
125.15721	0.4
149.04584	0.4
151.00360	0.4
161.04602	0.6
179.13228	0.4
243.06712	0.4
245.31320	0.4
250.51543	0.4
269.04727	0.4
269.13632	0.5
343.17560	0.5
343.21555	1.4
371.20898	1.5
389.21902	1.3
431.23135	1.6
454.83881	0.4
491.11139	0.4
491.28928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76205	0.7
57.03456	9.3
58.00603	1.7
59.01385	100.0
60.01737	1.1
61.01800	0.8
65.88258	0.7
69.03465	1.2
69.34259	5.9
71.01388	33.1
71.05024	1.0
72.99327	1.8
73.02955	18.0
75.00881	2.0
81.63548	0.9
83.01388	3.8
85.02959	4.6
87.00874	6.3
89.02452	47.4
93.03472	1.1
95.01398	1.7
95.05082	1.1
97.02963	0.8
97.06607	3.5
98.19828	1.6
99.00888	11.2
99.04534	6.5
99.08189	0.9
100.80529	0.8
101.01798	1.6
101.02450	25.1
103.41587	0.8
108.02163	1.7
113.02471	9.3
113.06113	0.9
115.04076	0.9
119.03499	6.5
121.02950	4.5
123.04551	6.6
125.02482	5.9
130.99855	1.5
131.03526	7.4
137.02435	2.4
141.05606	1.4
143.03482	2.1
145.00012	0.8
147.04561	1.3
149.04562	22.7
149.05724	1.7
151.03979	1.0
153.12857	26.4
154.13147	1.2
155.03574	0.8
161.04584	10.2
165.02040	0.8
165.05528	1.1
165.12851	1.1
167.03505	2.2
167.10814	4.1
171.10255	0.8
179.03581	1.4
179.05635	3.7
179.07025	0.9
179.10808	8.3
183.13922	2.3
185.11838	4.1
191.03790	0.8
191.05563	4.9
197.11845	21.6
198.12126	1.2
207.03030	6.7
211.92828	0.8
221.06694	2.5
222.05325	5.6
223.06151	1.3
227.12895	4.5
233.06705	3.9
237.07744	5.0
251.07712	1.4
255.98079	0.8
263.07715	1.4
269.08145	2.8
287.09256	3.6
293.08847	5.1
294.09366	1.1
347.17191	13.2
348.17465	0.9
355.24860	2.3
359.17166	2.2
359.24545	2.9
373.25967	8.1
374.26340	0.9
389.18005	2.9
431.10098	1.2
431.26746	2.0
447.22324	1.6
449.27725	1.5
491.12146	7.9
491.21289	7.7
491.28625	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00270	0.3
57.03445	0.3
59.01385	100.0
60.01732	0.5
65.00314	0.6
71.01400	0.4
83.01388	0.5
84.81458	0.3
89.02456	0.4
93.90759	0.2
98.20661	0.7
101.02438	0.5
107.01416	0.5
109.02990	0.3
113.02410	0.4
125.02425	0.3
135.04536	2.9
151.00383	4.0
229.42442	0.4
233.57387	0.3
287.05707	3.8
287.08850	0.4
299.02100	1.5
314.04489	0.6
329.06494	1.4
373.26059	0.4
389.21912	0.4
431.22928	1.2
491.12076	1.1
491.29538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76205	0.7
57.03456	9.3
58.00603	1.7
59.01385	100.0
60.01737	1.1
61.01800	0.8
65.88258	0.7
69.03465	1.2
69.34259	5.9
71.01388	33.1
71.05024	1.0
72.99327	1.8
73.02955	18.0
75.00881	2.0
81.63548	0.9
83.01388	3.8
85.02959	4.6
87.00874	6.3
89.02452	47.4
93.03472	1.1
95.01398	1.7
95.05082	1.1
97.02963	0.8
97.06607	3.5
98.19828	1.6
99.00888	11.2
99.04534	6.5
99.08189	0.9
100.80529	0.8
101.01798	1.6
101.02450	25.1
103.41587	0.8
108.02163	1.7
113.02471	9.3
113.06113	0.9
115.04076	0.9
119.03499	6.5
121.02950	4.5
123.04551	6.6
125.02482	5.9
130.99855	1.5
131.03526	7.4
137.02435	2.4
141.05606	1.4
143.03482	2.1
145.00012	0.8
147.04561	1.3
149.04562	22.7
149.05724	1.7
151.03979	1.0
153.12857	26.4
154.13147	1.2
155.03574	0.8
161.04584	10.2
165.02040	0.8
165.05528	1.1
165.12851	1.1
167.03505	2.2
167.10814	4.1
171.10255	0.8
179.03581	1.4
179.05635	3.7
179.07025	0.9
179.10808	8.3
183.13922	2.3
185.11838	4.1
191.03790	0.8
191.05563	4.9
197.11845	21.6
198.12126	1.2
207.03030	6.7
211.92828	0.8
221.06694	2.5
222.05325	5.6
223.06151	1.3
227.12895	4.5
233.06705	3.9
237.07744	5.0
251.07712	1.4
255.98079	0.8
263.07715	1.4
269.08145	2.8
287.09256	3.6
293.08847	5.1
294.09366	1.1
347.17191	13.2
348.17465	0.9
355.24860	2.3
359.17166	2.2
359.24545	2.9
373.25967	8.1
374.26340	0.9
389.18005	2.9
431.10098	1.2
431.26746	2.0
447.22324	1.6
449.27725	1.5
491.12146	7.9
491.21289	7.7
491.28625	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.38216	2.4
69.46450	19.4
69.46786	3.1
69.77394	2.5
71.01393	21.8
73.02955	14.7
85.02959	9.8
87.00897	3.0
89.02463	11.9
101.02441	16.6
113.02477	15.2
119.03521	5.7
125.02386	3.3
161.04584	5.7
175.02457	4.8
176.02878	2.7
299.01978	2.9
311.05667	3.5
329.06732	15.0
357.14615	3.2
387.20316	27.8
405.21240	10.4
447.22351	11.2
491.12039	10.6
491.21463	5.2
507.57330	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	491.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72879	1.2
57.03444	1.7
59.01385	100.0
60.01716	1.4
63.99407	1.3
65.65305	1.6
66.24543	1.3
69.97087	3.3
69.97490	2.9
71.01387	17.4
72.41222	1.2
73.02952	11.7
79.82210	1.1
83.01390	4.3
85.02956	4.5
87.00887	27.6
89.02458	10.6
92.12796	1.3
99.00877	2.0
100.33107	1.3
101.02448	11.4
113.02468	7.0
119.03494	4.4
120.01263	21.2
121.01637	3.2
122.00784	2.3
133.04182	1.5
135.04477	2.1
143.03506	1.5
149.04573	1.7
161.04610	2.8
179.05525	1.3
197.04601	1.8
369.00397	1.4
387.20596	2.5
405.21463	2.6
431.15308	2.4
431.22394	1.4
447.22165	3.8
480.03891	1.6
491.13385	3.1
491.21573	2.9
499.80225	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	491.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02511	2.4
57.03461	3.2
59.01388	100.0
70.46745	7.0
71.01392	26.0
72.99293	3.5
73.02950	22.6
75.00867	3.2
83.01398	5.1
85.02970	9.5
88.98813	8.0
89.02451	8.0
95.01439	2.6
99.00904	2.5
101.02437	20.0
113.02475	15.9
119.03474	5.6
134.03728	2.9
137.02448	3.6
143.03549	2.9
149.04572	4.3
161.04611	6.2
161.19560	2.3
175.04121	2.8
184.10870	2.8
237.16188	2.3
290.63470	2.6
291.15234	2.5
327.05072	4.6
328.28384	2.3
387.20209	9.7
405.21179	3.5
416.91876	2.9
447.22513	4.5
491.08484	5.4
491.21487	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	491.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
56.75710	0.7
57.03452	3.5
59.01385	45.6
67.01897	1.4
68.99823	2.5
69.03461	1.9
71.01389	14.4
72.99305	1.9
73.02953	2.3
74.55025	0.6
75.00900	1.8
83.01391	3.1
85.02960	14.7
86.62450	0.7
87.00890	5.0
89.02451	2.4
91.03999	1.1
95.01400	2.9
97.06602	1.3
99.00889	0.9
101.02461	3.0
111.00858	2.2
111.08163	2.6
113.02452	15.5
115.00355	1.3
119.03483	0.7
123.08167	1.3
125.09719	2.0
127.11298	1.7
129.01930	1.5
136.10959	0.6
137.09738	1.0
138.34129	0.8
139.00406	1.1
141.09309	0.8
155.10768	0.8
157.01393	1.9
165.12868	26.2
166.13217	0.7
171.10255	6.0
174.01691	0.9
181.12457	0.7
183.13907	100.0
184.14256	5.6
185.11880	2.5
189.04117	1.3
202.78796	0.8
205.07262	1.2
209.11899	2.8
214.12117	0.8
220.07520	0.7
227.12924	10.7
249.06160	2.7
255.86865	0.8
263.07730	6.5
281.08792	12.8
301.16553	7.1
355.25015	1.4
371.24512	0.7
373.25949	75.1
374.26334	6.2
397.18225	0.9
415.19760	5.8
431.26669	2.0
449.27560	1.4
459.18594	7.9
460.19449	0.9
473.20413	3.8
491.21411	72.4
491.28644	25.0
492.21783	6.8
492.29080	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
71.01391	15.5
71.34779	3.4
72.13776	2.8
73.02953	21.8
83.01399	5.9
89.02433	3.5
89.11108	2.6
98.50394	2.6
101.02470	17.7
113.02463	8.9
121.61114	3.2
126.26720	3.0
147.11655	2.9
158.73369	3.1
161.04590	4.0
367.55634	2.9
447.22461	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	0.7
59.01391	3.5
61.98846	0.7
69.41865	4.4
70.79102	0.6
74.58707	0.5
77.03967	0.6
82.95419	1.9
99.92590	1.3
105.03486	2.7
107.05047	2.1
108.02211	0.9
109.02966	0.8
115.33812	0.6
122.03756	0.9
122.10812	0.6
135.04546	3.9
136.05316	12.0
151.04053	1.6
161.02522	0.9
167.03520	0.7
171.62383	0.6
172.05524	0.6
175.11220	1.0
181.45270	0.6
183.08141	2.5
207.08626	0.6
209.09787	1.0
213.09242	1.5
223.07648	0.7
225.09239	12.7
226.09959	3.1
227.10797	49.3
228.11081	2.4
237.09248	2.8
238.09967	0.8
248.08469	1.3
249.09253	0.9
251.07170	1.5
253.08696	2.2
263.10666	0.7
269.08154	1.1
270.09030	1.3
277.12375	0.9
301.14420	1.1
325.09103	0.7
327.10873	1.1
329.18930	0.7
345.18625	0.8
347.20248	7.4
348.20380	1.2
353.08688	1.0
365.20856	0.7
371.19812	3.6
373.18051	3.4
391.19208	8.7
392.19412	1.0
403.10883	0.9
407.18585	0.8
409.20224	100.0
410.20599	10.3
415.19119	5.1
473.18295	1.9
474.17941	0.8
491.17938	4.2
491.25085	4.9
492.12488	1.0
492.19022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95795	0.5
59.01392	2.9
60.66467	0.4
63.48199	0.5
64.80947	0.4
67.26592	0.4
69.81280	0.4
70.73782	0.4
71.05025	2.0
73.02959	0.4
74.05654	0.4
74.30323	0.4
91.97752	0.4
107.05016	1.0
111.00909	1.2
135.04517	1.1
139.00383	100.0
140.00746	2.5
153.12901	0.4
154.02731	64.6
155.03101	1.6
159.04523	1.6
162.06804	0.6
169.05078	66.7
170.05399	1.8
175.07631	3.4
201.05576	0.8
219.06662	2.3
225.09190	6.8
226.09680	0.5
263.10760	1.0
293.11798	1.9
295.17203	1.0
303.13809	0.6
305.15869	0.5
339.16092	1.4
346.41290	0.5
349.14661	1.2
349.84348	0.5
446.52975	0.4
447.29199	15.0
448.29468	1.4
491.28186	32.5
492.28302	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48441	0.8
52.55682	0.9
57.64127	0.9
59.01383	7.7
67.01897	8.9
71.01395	1.5
71.08414	1.6
71.08740	0.9
77.89170	0.9
78.95915	44.4
79.56300	0.8
80.91679	2.7
96.96993	4.8
100.45016	0.8
101.02419	1.3
107.05026	2.2
121.02957	1.0
128.97102	1.1
130.04240	2.3
134.03815	1.2
135.04517	5.9
136.05290	1.3
148.05350	4.3
149.02438	1.8
152.99579	7.8
167.03455	1.1
171.00642	7.8
181.10164	1.1
182.77911	0.9
191.07127	2.2
199.04759	0.9
202.06094	1.0
213.09180	5.6
221.09792	1.6
225.09210	21.2
226.09970	4.9
227.10779	6.1
237.09218	3.0
238.09962	1.2
239.10783	40.0
240.11098	2.5
265.09033	1.8
265.11984	1.6
269.08218	8.7
270.08591	1.1
277.12360	1.3
283.09747	7.8
303.17545	1.0
309.18500	2.3
345.18442	2.2
347.16193	1.7
347.20154	16.6
348.20468	1.8
365.21286	16.0
366.21545	1.9
366.98169	1.1
373.17834	2.3
391.19141	8.6
407.18671	1.9
409.20218	100.0
410.20618	11.4
431.17816	1.3
491.24936	1.3
492.27365	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	491.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55948	0.5
52.59049	0.6
54.57940	0.7
55.83910	0.5
57.03434	0.7
59.01384	5.5
61.98835	0.7
67.01895	18.8
69.36990	5.0
70.70339	0.5
76.80807	0.7
82.95428	2.2
91.05524	0.6
93.03484	0.6
97.89616	0.6
98.19814	0.9
107.05034	0.9
121.02964	2.5
134.03734	0.6
135.04544	5.4
137.37421	0.5
148.05312	8.7
150.03249	0.8
151.03893	0.6
153.99106	1.9
161.02415	0.7
165.05560	0.9
169.01448	3.9
171.08157	1.4
173.09613	0.6
173.11064	0.7
175.07565	0.9
186.09346	0.7
195.11760	3.8
213.09119	1.3
223.07710	0.7
225.09180	5.4
225.80243	0.6
226.09904	2.3
237.09241	1.7
239.10785	87.7
240.11118	6.0
245.67041	0.6
257.08170	1.1
271.13577	0.8
277.12411	0.7
297.09680	0.6
347.20218	2.4
365.21213	1.8
371.22308	1.3
391.18961	0.8
407.18658	2.0
409.20206	100.0
410.20569	10.1
444.09955	0.8
449.18170	0.6
473.23389	0.8
491.18149	4.7
491.24826	3.6
492.12225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66997	0.6
54.70790	0.6
59.01377	1.9
64.21415	0.6
69.72562	3.6
82.18902	0.6
83.05034	3.0
89.09184	0.5
99.92616	0.6
100.00217	0.6
107.05038	4.1
119.05035	0.8
123.08195	1.2
135.04539	14.3
151.00249	0.9
157.06564	1.6
161.02509	0.8
169.06580	0.9
173.02425	0.8
173.06041	0.8
199.04140	0.8
204.11575	0.9
211.11320	1.0
213.09251	4.0
223.07477	0.7
225.09268	7.0
226.10002	6.9
227.10693	0.9
237.09232	1.1
249.12988	0.8
251.14394	2.7
263.14413	2.1
265.08609	3.2
277.16074	2.9
285.04059	4.5
295.17047	14.0
296.17169	1.0
321.15225	0.8
321.18741	2.8
343.09396	0.7
347.19919	1.6
365.21249	10.3
366.21417	1.2
379.14069	1.1
391.19171	42.9
392.19647	3.5
403.18607	1.1
407.18390	0.7
409.20215	100.0
410.20459	9.6
429.16656	0.7
431.17227	11.3
432.17584	1.3
447.18216	1.0
465.05231	0.7
492.11966	1.2
494.67865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02995	0.4
58.73902	0.4
59.01386	100.0
60.01728	0.8
61.98831	0.8
64.85172	0.4
69.63794	2.8
71.01392	1.7
73.02943	1.0
78.95937	0.9
83.05008	0.7
85.02996	0.7
91.04825	0.5
96.96017	0.7
101.02466	0.6
108.02204	1.1
109.06595	0.8
113.02512	0.9
123.04533	0.8
142.32596	0.4
144.05641	0.5
148.01704	0.8
161.04680	0.7
162.83972	1.5
164.54163	0.5
164.83699	1.4
167.03499	2.9
195.08209	0.7
197.04556	0.8
211.07675	0.9
221.06247	1.4
239.07149	14.2
239.09482	0.7
240.07602	1.1
254.09521	8.2
255.10049	0.5
269.11856	20.3
270.12363	1.4
285.04501	0.5
359.28067	2.7
376.73911	0.5
447.31439	0.9
491.13681	1.0
491.26022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90348	0.5
54.55524	0.5
59.01392	3.7
62.05244	0.5
65.00337	1.0
69.04682	0.5
69.72221	1.0
69.72620	2.9
70.23111	0.5
71.01382	0.8
77.86446	0.5
79.05542	0.6
83.01385	0.7
93.03477	1.0
107.01379	0.9
107.05065	3.0
108.02167	1.3
118.97956	0.5
122.03727	1.0
134.03773	0.7
135.04552	11.4
135.08122	0.6
136.01671	0.9
147.04582	0.6
149.02412	0.7
149.06137	0.6
151.00403	1.8
159.08209	0.9
161.02483	0.7
161.04573	0.7
164.01152	1.3
169.06451	0.7
173.06155	0.8
174.31689	0.7
175.07593	0.9
183.08159	1.1
185.06110	0.6
189.05542	0.8
195.08202	1.0
196.00040	1.0
199.04033	2.7
201.05605	0.8
211.07605	2.2
212.08267	1.6
213.09286	3.2
215.03406	0.6
217.05093	0.6
223.07576	0.9
225.09229	19.0
226.09943	6.6
228.07773	0.6
237.09164	4.1
238.09955	1.7
239.03104	0.6
241.05157	1.1
251.07437	0.8
256.07440	2.2
257.04544	1.8
260.44647	0.5
263.07208	2.0
263.10754	0.8
265.12360	2.0
269.08188	0.9
279.13953	0.7
285.04050	11.5
286.04791	3.6
287.14362	0.6
291.10373	2.0
292.11145	0.7
305.11929	1.3
305.15378	0.7
307.17047	8.6
308.17236	0.7
329.18765	0.7
347.20160	10.0
348.20798	1.1
365.21304	2.8
373.18066	5.4
391.14215	1.4
391.19141	9.1
392.19537	1.1
403.19162	1.7
407.18506	1.2
409.20224	100.0
410.20624	10.3
415.14044	1.5
429.16656	0.7
431.17087	9.0
432.17523	1.3
447.17902	0.9
459.14642	0.7
491.35419	0.9
492.12473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
56.60347	0.9
58.00611	1.0
59.01385	46.9
61.98841	1.0
69.03458	2.4
70.75020	2.0
70.75391	0.9
71.01390	35.4
72.99312	1.3
73.02955	16.0
75.00900	1.7
82.95427	1.1
83.01401	5.1
85.02955	11.9
87.00882	4.2
88.98792	1.3
89.02459	24.8
89.76550	0.9
90.02814	1.2
95.01398	3.0
96.96021	4.0
97.02969	3.6
99.00885	12.7
99.04530	1.2
101.02456	23.6
109.06572	1.0
111.00924	1.3
113.02455	11.0
115.00376	1.1
115.04020	2.8
119.03532	4.8
119.04977	1.0
121.02989	2.1
122.03776	9.2
123.04547	13.0
125.02458	5.0
131.03506	5.8
136.01654	1.1
143.03505	2.3
149.04535	6.6
151.03972	1.1
161.04581	4.0
167.03511	2.2
171.06699	1.4
175.02434	1.1
179.05658	1.3
179.07158	3.4
182.05856	17.2
191.05577	1.5
195.06682	1.7
197.06334	2.0
197.08205	38.3
198.08533	1.3
233.06677	3.8
236.13765	1.0
285.07394	1.5
357.11688	1.6
359.13501	24.7
415.51132	1.3
459.15399	1.4
491.17783	100.0
492.18176	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	491.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52242	1.4
55.01871	2.6
57.03464	2.8
57.57319	1.5
59.01386	100.0
61.98836	16.7
69.28587	9.0
69.29007	4.7
71.01384	56.1
72.99314	3.4
73.02966	18.3
75.00871	3.6
82.95412	2.3
83.01402	5.6
85.02958	14.6
87.00904	5.8
88.98828	2.2
89.02452	61.3
95.01440	2.8
96.96025	21.8
97.02950	2.5
98.20683	3.2
99.00890	16.1
99.04557	2.3
101.02458	37.2
109.02977	3.2
111.00897	2.9
112.02573	1.5
113.02447	16.7
115.04009	2.9
116.92896	1.9
119.03534	12.4
121.02959	2.0
122.03743	4.8
123.04520	9.2
125.02464	7.1
131.03523	9.1
135.04573	6.3
136.01717	3.6
137.02495	1.8
143.03490	3.7
146.03740	2.0
149.04553	20.0
151.04019	4.7
161.04608	7.0
161.05975	1.5
163.04050	1.8
164.04871	4.6
165.05606	2.7
171.06673	1.7
179.05658	7.9
179.07176	4.6
182.05838	8.9
190.65504	1.6
191.05672	6.6
195.06720	2.4
197.08240	21.8
210.30765	1.6
224.75603	1.6
233.06694	3.2
285.07886	1.9
327.05115	1.8
359.13510	16.7
453.19934	2.7
455.21155	1.9
491.17865	84.5
492.18219	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	491.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	2.3
59.01385	59.9
69.03441	4.8
69.21310	1.7
70.94827	2.5
70.95154	3.1
71.01389	58.8
71.01781	3.4
72.01701	2.0
72.99323	3.0
73.02943	7.8
79.49030	1.8
81.03456	6.9
83.01398	5.2
84.73624	2.2
85.02985	9.5
87.00883	5.5
89.02451	57.2
96.96013	14.4
97.02954	6.6
99.00880	4.3
101.02459	15.7
106.04214	2.4
113.02460	9.8
119.03497	3.2
123.04552	24.8
125.02463	25.5
131.03485	14.6
137.06091	32.3
143.03505	4.2
149.04565	22.9
151.53343	1.9
159.85834	2.0
166.02782	2.9
167.03511	100.0
168.03856	2.2
181.05067	5.4
191.03490	19.6
191.05580	7.6
202.81279	1.9
209.04498	6.5
210.04538	1.9
221.04324	2.4
233.06712	4.8
238.28793	1.9
249.06174	2.5
267.07159	4.0
293.08789	52.6
294.08954	2.2
329.08765	21.1
330.08926	3.5
406.41403	2.2
431.15610	2.8
491.13953	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	491.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
70.08350	1.3
70.08739	1.3
71.01377	6.5
73.02945	4.0
77.33421	0.6
85.02950	0.8
87.00909	1.9
89.02452	30.6
90.02761	0.9
98.20047	0.9
103.04030	1.1
111.69685	0.6
129.35712	0.6
131.03551	6.4
137.02492	0.7
149.04576	100.0
150.04907	2.6
151.58167	0.7
163.06116	0.9
170.08823	0.7
182.68732	0.7
372.61942	0.8
469.79935	0.7
495.18509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51900	0.5
54.44149	0.4
59.01377	1.3
69.32683	4.0
71.01395	5.1
73.02953	4.6
80.10525	0.5
82.37805	0.4
87.00898	2.7
89.02456	25.1
103.04041	1.5
106.01483	0.4
111.26378	0.5
131.03516	6.0
132.98590	0.5
149.04570	100.0
150.04892	1.9
152.82788	0.5
160.37350	0.5
319.22931	0.5
330.67102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65576	0.6
59.01387	4.3
69.43452	0.6
69.66180	2.5
69.66589	1.0
71.01397	6.8
73.02957	5.6
77.02750	0.6
84.63844	0.7
87.00885	2.7
89.02452	27.7
101.02488	0.9
103.04015	1.3
120.40519	0.6
129.67638	0.7
131.03505	7.0
149.04573	100.0
150.04922	1.0
163.06238	0.6
185.83983	0.6
267.71353	0.6
269.73557	0.6
377.13406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97486	0.5
55.60018	0.5
59.01385	10.1
61.98869	1.0
67.77359	0.6
69.48588	3.8
71.01400	1.1
75.61404	0.5
78.95891	1.0
85.82915	0.5
89.73888	0.5
98.20644	0.6
101.02477	0.6
108.02183	1.0
117.03513	1.6
125.10483	0.5
125.14587	0.6
132.01352	0.5
132.02118	2.5
133.03033	0.7
143.05055	0.9
144.54317	0.5
146.03746	4.1
147.04561	0.6
149.02483	1.4
149.06047	0.6
155.05110	1.9
156.05798	0.6
157.06613	3.9
158.03798	0.9
161.02432	3.1
161.06145	1.8
163.03964	0.6
164.01175	1.3
164.04810	3.7
167.03691	0.9
167.05066	2.8
170.03787	1.7
171.04546	0.8
173.02467	0.6
173.06062	6.0
175.00388	1.4
176.04802	1.5
176.06201	0.6
179.03615	2.8
179.07158	17.1
180.07478	0.6
182.03799	0.7
183.04512	4.5
184.05264	1.0
185.06111	3.7
186.03217	0.5
191.07231	0.5
194.05779	4.1
195.04538	6.8
196.05269	0.7
197.02605	0.6
198.03256	3.6
199.03952	1.3
201.05717	0.5
203.07175	4.2
209.08206	12.5
210.03322	1.6
210.08534	0.7
211.04018	12.4
212.04706	2.5
213.05551	2.7
223.04016	5.2
224.04811	7.3
226.02759	6.5
227.03540	6.0
228.03966	0.7
231.06685	0.9
238.02769	1.6
239.03506	28.8
239.07242	1.2
240.04158	2.9
241.05069	32.3
242.05502	2.1
254.02232	1.6
255.02960	3.6
256.03827	1.4
263.25494	0.5
266.02286	1.0
267.03003	34.3
268.03741	20.7
269.04333	3.1
269.11789	0.8
270.05145	0.7
281.04373	0.6
282.05356	100.0
283.02554	7.8
283.06067	34.6
284.03232	1.4
284.06522	2.0
287.09305	0.6
297.04089	22.9
297.07364	1.0
298.04828	28.2
299.05319	2.7
300.06406	1.7
301.04938	0.6
311.05612	1.6
312.06412	61.1
313.07147	22.3
313.10938	0.9
314.07629	2.2
315.08691	1.7
327.08868	1.1
342.07425	1.3
403.18964	1.1
409.13055	0.6
429.17175	0.6
432.12024	1.2
458.09412	0.6
473.12253	0.6
491.13400	22.1
491.25372	1.2
492.13739	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	491.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05236	0.4
59.01388	3.5
60.03090	0.4
69.19738	1.9
69.20171	1.8
71.01405	0.6
108.02181	0.4
117.03447	1.1
131.01326	0.4
132.02188	2.0
139.03780	0.4
143.04996	0.7
147.00906	0.5
149.02444	1.2
151.03984	0.5
155.05020	1.1
161.02438	1.7
167.05052	2.0
175.00368	0.9
176.04816	1.5
179.03593	2.7
182.03706	0.7
183.04515	3.1
191.07214	0.5
194.05841	3.6
195.04543	6.1
196.05185	0.8
209.08206	11.0
210.03229	0.8
210.08504	0.5
211.04013	8.9
212.04781	2.9
221.61908	0.4
223.04041	5.9
224.04781	7.1
238.02745	0.6
239.03510	25.2
240.04134	2.7
241.20027	0.4
251.03470	0.5
256.03763	1.1
267.03000	33.2
268.03748	17.9
269.04144	0.8
282.05353	100.0
283.06070	34.1
284.06424	1.3
297.07635	0.9
315.08865	0.8
342.07468	0.7
343.83112	0.4
359.28055	1.3
473.12863	0.5
491.13525	4.1
492.14005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01385	34.9
60.01706	1.1
61.01795	0.8
62.20560	0.5
63.02398	1.5
65.00330	11.0
69.51141	3.6
70.22791	0.5
71.01376	2.8
73.02969	1.5
75.00871	0.9
75.49797	0.5
83.01395	6.8
85.02972	1.9
87.00886	1.2
89.02467	1.0
95.01395	0.8
96.96017	0.5
98.20756	0.5
99.00819	0.6
101.02462	2.3
107.01398	19.4
108.02218	0.9
109.02969	3.8
113.02463	1.6
116.92870	2.4
119.03483	0.8
121.02988	1.3
123.00942	0.7
125.02461	4.2
131.01402	1.6
133.02963	2.1
134.03735	2.4
135.04538	81.2
136.04886	2.9
137.02451	1.1
149.02472	1.2
151.00380	100.0
152.00806	3.7
153.00809	0.7
153.01953	0.8
160.01691	0.7
161.02444	1.3
161.04601	0.9
165.01894	0.8
169.01515	0.8
175.00377	7.6
176.04379	0.8
177.01955	1.0
186.03181	0.7
193.01459	2.1
199.03897	0.6
205.01352	0.8
211.03935	0.8
212.04482	0.7
214.02739	0.8
226.02637	0.9
227.03520	0.7
243.03206	0.8
243.12268	0.7
256.03802	0.8
257.03925	1.5
258.04251	0.8
267.11340	1.1
269.00961	0.6
269.04483	0.6
284.03293	14.9
285.03870	27.7
286.04068	33.2
287.05609	99.2
288.05942	6.0
295.02390	1.1
298.01083	2.8
299.02005	1.6
300.02252	0.6
311.05865	0.8
313.03510	4.0
314.04340	2.8
315.05157	1.2
329.06714	5.1
329.10458	0.9
332.55121	0.6
343.21289	2.1
355.06726	1.2
431.22775	1.4
436.82138	0.6
476.09799	2.9
491.11142	62.0
491.28448	1.8
492.11792	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	491.117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39584	0.3
59.01372	1.5
67.96089	0.3
98.20644	1.0
99.92592	16.6
100.92607	0.5
100.93360	0.7
107.05002	0.3
111.26644	0.3
115.92087	6.3
116.92870	100.0
117.92902	3.7
133.27704	0.3
191.60994	0.4
211.07697	0.7
221.06145	0.6
223.07661	3.3
225.05698	0.5
233.06155	0.6
233.97626	0.3
235.07632	0.8
237.09192	0.5
238.06215	0.5
257.09851	1.0
261.09106	0.7
263.10791	0.7
273.09286	1.1
274.10007	1.1
275.07721	0.3
275.10727	2.1
293.99805	0.6
295.00482	0.5
301.08667	0.4
306.00186	0.4
308.01685	0.5
308.98715	0.5
309.99478	0.5
310.99921	0.4
321.99390	0.5
323.00162	2.6
324.00549	0.6
327.17624	0.5
333.99414	0.6
335.00211	2.6
336.98001	0.9
338.99734	1.0
343.17142	0.9
345.02069	0.4
345.18640	1.2
347.00494	0.4
350.99680	1.8
358.99969	0.4
360.04596	4.3
360.98032	0.6
361.05118	0.8
361.98880	2.4
362.02570	0.4
362.99420	1.2
365.01355	0.6
371.16470	5.3
372.16876	0.5
374.02466	2.0
375.03174	1.3
376.00204	0.4
377.01172	0.7
378.05688	1.3
387.03311	0.8
388.00458	0.3
389.01230	1.1
389.17603	6.1
390.01736	0.6
390.18292	0.7
391.02844	0.5
391.19104	1.0
392.03635	2.7
403.02859	0.4
404.03580	39.0
405.03900	4.5
407.18756	0.6
425.08725	0.5
426.09760	0.4
429.11630	1.3
443.09720	1.3
447.12967	2.7
455.09756	0.6
461.10791	0.5
473.10648	36.9
474.10898	5.1
487.08398	1.6
491.11685	4.7
491.24564	1.4
492.11838	0.6
505.09705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32277	0.5
55.01863	0.5
57.03440	0.9
59.01384	30.8
60.01719	0.8
61.98835	2.8
67.01879	0.5
68.68578	0.6
69.19447	0.8
69.19860	4.2
71.01392	4.6
72.99318	0.6
73.02947	1.8
74.47269	0.5
75.00864	1.2
81.03479	1.3
85.02940	2.8
86.09325	0.4
87.00873	0.9
89.02440	1.1
91.01911	1.1
93.03417	1.1
94.16979	0.5
95.01397	1.4
96.17775	0.6
96.96004	0.8
99.00900	0.7
99.04520	1.0
101.02439	3.2
107.01425	0.9
108.02184	43.9
109.02971	33.8
113.02457	2.0
114.17522	0.5
121.02981	0.9
123.00887	1.2
123.04520	1.5
125.02488	0.6
132.02202	5.9
133.02988	4.8
134.03758	6.8
135.00900	4.6
135.04530	2.8
137.02443	1.4
148.01646	0.7
149.06102	1.4
151.00455	0.6
151.03981	0.7
152.01161	55.0
153.01955	29.2
154.02286	1.1
160.01665	23.6
161.02461	15.5
161.04507	0.8
163.03995	1.1
165.01930	1.3
167.03491	0.7
175.04013	21.0
176.04343	0.8
177.05707	0.7
178.02710	0.5
179.03502	2.3
181.05006	0.5
193.05022	3.7
195.03053	0.6
215.03345	0.6
221.04428	0.7
227.03462	2.6
228.03841	2.1
229.04156	1.8
243.06505	1.2
246.78326	0.5
255.03041	3.6
256.03323	3.4
257.03574	4.8
257.07925	0.6
269.07901	0.6
284.03311	4.9
285.03915	10.1
285.07263	1.2
286.04074	11.3
287.04648	9.5
287.09113	1.9
308.61377	0.6
313.03629	0.8
314.04361	0.9
315.07260	20.2
316.07858	1.1
323.07819	4.1
329.06644	1.3
337.09399	1.1
343.21182	2.9
359.20941	0.8
371.20505	0.6
373.26697	0.5
428.04459	0.5
447.12897	1.6
459.09119	1.7
491.11893	100.0
492.12234	10.5
496.32721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2581
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
59.01382	4.8
60.01691	0.4
61.98823	0.9
71.01389	0.9
71.08908	0.8
73.02972	0.4
78.95911	100.0
83.05064	0.5
85.02972	0.4
89.02453	0.7
96.96031	0.6
96.96973	7.9
107.48113	0.3
109.06617	0.4
143.33095	0.3
148.05269	1.8
152.99599	15.9
153.99942	0.4
160.84161	0.7
162.83897	0.9
163.07657	1.4
171.00656	18.9
282.05215	0.3
309.20764	0.3
343.28421	1.8
416.22162	1.6
490.25797	60.3
491.26047	5.9
491.32404	0.7
509.47928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56994	0.4
57.41117	0.3
59.01384	100.0
60.01722	0.8
61.39164	0.4
63.02407	0.5
65.00354	0.4
65.67915	0.3
69.33345	0.3
70.84824	0.8
71.01390	1.4
73.02955	0.6
83.01405	0.5
89.02455	0.4
101.02463	1.2
107.01403	1.0
113.02467	0.4
133.02988	1.1
134.03773	1.3
135.00893	1.6
149.02460	0.9
151.00366	1.5
152.03561	0.4
161.04488	0.5
175.03935	0.5
175.07494	0.4
183.04401	0.3
187.03998	0.5
199.03929	0.4
217.05046	0.4
227.03569	1.4
255.00496	0.4
255.02873	1.9
256.03735	1.6
284.03284	21.8
285.04068	28.7
285.07584	2.2
286.04367	1.5
286.07370	0.3
327.05197	0.7
369.19028	0.4
387.20203	1.2
429.21558	0.6
489.10336	23.8
490.10925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31098	0.1
55.01881	1.4
57.03454	15.5
58.00601	0.5
58.03777	0.2
59.01387	12.1
67.01905	0.6
68.99825	0.5
69.03461	3.6
70.66152	0.3
70.66491	0.2
71.01388	24.8
71.05019	0.4
72.01723	0.3
72.02135	0.1
72.99319	1.7
73.02952	3.9
75.00877	0.6
81.03447	0.6
83.01395	22.1
83.05035	0.3
84.01705	0.4
84.02186	0.4
85.02959	23.1
85.06603	2.3
85.27630	0.1
86.00106	1.3
86.03291	0.4
87.00890	2.0
87.04513	0.1
89.02435	0.6
91.68933	0.1
95.01395	7.3
96.01740	0.2
97.02957	3.0
97.06600	0.5
99.00271	0.2
99.00896	3.7
99.04527	0.1
101.02452	8.1
111.00898	1.1
111.08155	0.2
112.01684	4.0
113.02464	15.8
113.09710	0.2
114.02776	0.3
115.04041	1.3
123.00863	0.2
123.08142	0.2
124.01680	2.1
125.02460	4.4
125.09772	0.3
127.00349	0.2
129.01962	0.3
131.03503	0.2
131.10754	0.2
141.01913	0.2
141.12903	0.2
142.02721	0.6
143.03513	4.4
155.14478	0.3
159.02980	0.5
161.04576	3.9
169.15990	0.4
180.63512	0.1
183.14032	0.1
183.17494	0.3
185.15494	1.2
195.17474	0.1
197.15491	0.3
197.19115	0.2
211.17043	3.7
212.17398	0.2
213.18616	15.4
214.18909	0.9
221.15581	0.2
225.18698	1.0
239.20079	0.3
241.21712	0.8
253.21658	0.2
255.23239	0.4
257.24887	0.5
265.21606	0.2
279.23260	0.6
281.24893	0.6
283.22653	0.2
284.03305	0.3
285.04044	0.4
293.24780	0.7
297.24323	0.4
299.25937	10.3
300.26257	0.8
309.28015	0.1
311.25885	0.6
325.27368	0.2
327.25494	0.3
327.29028	2.2
328.29520	0.2
341.23380	0.2
345.30106	29.3
346.30469	2.8
357.22601	0.4
357.26501	0.2
357.30228	0.8
375.23907	0.2
385.29599	0.2
387.31168	0.7
401.32697	0.3
413.62228	0.1
415.30640	0.4
423.31326	0.2
429.24948	0.2
441.32269	2.4
442.32449	0.4
443.30209	1.5
453.32230	0.4
459.33295	2.0
460.33676	0.2
461.31195	0.4
471.33319	0.7
489.34341	100.0
490.34686	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	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01731	0.9
71.01395	0.4
90.03787	0.4
99.42422	0.4
101.02456	0.6
140.54253	0.5
162.24306	0.5
206.91948	0.4
212.84145	0.5
237.75371	0.6
285.65372	0.5
344.58792	0.4
429.21429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39853	0.3
59.01385	100.0
60.01720	1.0
69.00177	0.3
71.01384	0.5
73.02958	0.4
91.45759	0.3
97.15757	0.3
99.68988	0.3
101.02489	0.5
102.38023	0.3
149.56865	0.3
154.06264	0.3
261.56882	0.4
295.00983	0.3
429.21539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01711	1.0
71.01377	4.3
73.02955	1.1
85.02966	1.4
89.02474	2.6
95.01392	0.9
98.20718	1.2
101.02469	1.9
113.02468	4.1
119.03555	0.8
148.74425	0.6
149.78673	0.6
156.83958	0.7
161.04593	1.9
175.47621	0.7
179.05637	1.2
179.64192	0.7
225.14932	0.8
265.81790	0.6
283.99429	0.7
369.19165	5.6
370.19696	0.8
387.20337	3.0
429.21280	4.6
430.21469	0.8
489.30408	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	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	0.7
63.02412	1.1
65.00340	0.9
65.66092	0.4
69.25430	3.5
73.02972	0.6
75.60513	0.3
77.34595	0.3
83.01392	1.5
98.19927	0.6
101.02468	1.0
107.01419	1.6
109.02957	0.4
113.02436	0.6
127.55989	0.3
133.02946	3.6
134.03732	1.0
137.95110	0.4
148.01675	0.5
149.02452	1.0
151.00369	3.4
152.03542	1.3
175.03989	1.5
188.04828	0.4
199.04031	1.3
200.04811	0.6
211.04056	1.1
214.02834	0.5
215.03580	0.4
217.05034	0.5
227.03462	3.1
228.04099	0.6
241.05142	0.8
243.03104	0.5
255.02962	3.6
255.16301	0.4
256.03763	3.9
257.04340	0.4
269.04529	0.6
278.18921	0.4
283.02490	0.7
284.03284	56.2
285.04050	71.5
286.04379	5.1
327.05157	1.6
346.35394	0.4
387.20236	0.7
429.21353	0.8
489.10403	68.4
490.10843	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	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01718	0.6
71.01411	1.0
73.02973	0.7
85.02989	0.5
89.02458	0.7
101.02476	1.0
113.02454	0.9
145.02184	0.5
149.85120	0.4
161.60774	0.4
163.59764	0.4
194.53716	0.4
227.20280	0.5
251.43628	0.4
429.21414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45313	0.7
53.33682	0.8
54.77978	0.7
57.03450	1.5
59.01385	100.0
71.01390	15.6
73.02950	24.0
75.00877	1.3
81.03477	0.8
83.01391	6.8
85.02961	2.8
87.00883	1.6
88.42983	0.8
89.02464	5.6
89.59770	0.7
95.01414	1.0
99.00929	1.0
101.02454	21.4
113.02472	6.6
119.03491	2.4
131.03511	2.0
143.03548	1.2
145.77840	0.8
149.04539	3.7
151.00291	0.9
157.27840	0.9
161.04572	5.4
161.37225	0.8
165.05402	0.9
181.12323	3.2
196.50264	0.7
199.08475	0.8
225.11337	1.5
225.14998	1.5
252.04094	0.9
255.03064	1.2
267.06674	1.5
269.04568	1.2
270.05396	1.8
284.03256	4.5
285.04037	9.7
285.07617	2.2
326.76682	0.8
327.05124	0.8
357.15692	1.0
379.55026	0.9
489.10370	6.8
489.26816	4.5
490.10553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09375	0.8
59.01384	12.5
69.36143	5.8
87.16370	0.9
96.65569	0.7
107.05042	5.1
122.11498	0.8
135.04573	1.8
140.89542	0.8
149.06117	2.9
151.43588	0.8
171.08087	0.9
188.08385	1.4
211.11052	0.9
225.09235	42.1
226.09796	5.5
237.09145	1.6
239.10820	2.8
241.12312	2.0
257.15723	1.0
279.13919	24.8
280.14325	2.3
348.48511	0.9
362.26785	0.9
363.23328	41.7
364.23593	3.4
366.29391	1.1
392.57367	0.9
407.22311	100.0
408.22601	12.1
420.06705	2.4
489.14178	2.4
489.26373	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	489.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
58.64214	0.3
59.01384	100.0
60.01719	0.9
61.98864	0.3
69.46388	1.9
71.01375	2.0
73.02971	0.6
75.00871	0.6
75.36938	0.3
83.01409	0.4
85.02982	0.9
89.02459	0.6
98.19901	0.7
100.03270	0.3
101.02475	1.3
109.56715	0.3
113.02447	1.1
133.02946	0.4
161.04660	0.5
179.10851	0.5
183.10284	0.4
207.13988	0.5
211.04181	0.4
227.03580	1.2
233.70641	0.3
241.05058	0.3
255.02997	2.2
261.91977	0.4
269.04697	1.4
270.05280	1.9
283.10535	0.4
284.03308	6.0
285.04126	8.6
285.07751	3.0
312.02856	1.2
327.05087	1.9
340.58517	0.4
369.19385	0.5
387.20584	0.4
429.21295	0.7
469.24472	0.3
489.10214	5.0
489.26883	1.2
490.10806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02884	0.3
55.01894	0.3
59.01384	100.0
60.01717	0.8
62.60207	0.3
63.02375	0.3
65.00336	1.2
69.31726	2.8
70.03442	0.3
71.01387	2.4
73.02954	1.6
76.14420	0.3
82.45242	0.3
83.01416	1.3
85.02957	0.6
89.02467	0.9
101.02441	2.0
107.01386	2.1
108.02190	0.3
113.02477	1.3
133.02960	6.9
149.02455	1.4
151.00392	3.6
161.04515	0.7
175.04010	2.7
177.01973	0.6
197.06174	0.4
198.03217	0.3
199.04041	2.3
201.01956	0.9
207.13896	0.8
217.05083	1.3
227.03502	0.7
241.05008	0.5
243.03098	0.4
252.40422	0.4
255.03064	0.9
256.03751	1.6
257.04471	0.5
284.03308	6.5
285.04062	86.5
286.04410	6.0
293.04919	0.3
369.19037	0.5
387.20459	0.9
429.08069	0.7
429.21100	0.5
446.17657	0.5
489.10385	13.8
489.26620	0.7
490.10599	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	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70385	0.7
51.85530	0.6
57.03458	1.8
58.00599	3.1
58.26588	0.7
59.01383	100.0
60.01734	1.1
61.98835	1.8
69.03474	1.3
71.01388	57.8
72.99327	2.6
73.02950	18.3
75.00882	3.3
76.74564	0.7
81.03490	0.9
83.01412	5.2
85.02961	10.6
87.00864	3.8
89.02450	64.7
95.01402	2.6
97.02984	3.3
98.19808	1.3
99.00890	20.7
100.97646	0.7
101.02451	34.5
103.00378	1.0
111.00875	1.0
113.02461	14.6
115.04021	3.8
115.12672	0.8
116.92814	0.7
119.03516	9.4
120.45033	0.7
125.02477	6.6
131.03517	10.1
133.10289	1.0
134.03789	2.1
136.01715	1.0
143.03549	3.5
145.60301	0.7
149.02626	1.3
149.04561	33.2
159.03038	1.2
160.01718	1.9
161.04565	13.7
175.02579	1.5
175.04065	2.4
177.04073	1.2
177.09212	8.5
179.05661	2.8
179.07045	0.8
191.05626	9.2
193.05128	1.3
195.05125	1.7
195.10321	1.7
207.28886	0.8
217.65997	0.8
221.06693	2.0
233.06647	4.5
235.06131	1.2
249.06360	0.7
251.07787	3.3
285.07718	1.0
293.08746	4.4
298.04913	2.7
357.15527	16.2
358.15738	1.4
369.06268	1.7
370.06824	0.9
399.07092	0.7
455.38947	0.9
471.15210	1.2
489.19910	76.6
490.20282	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	489.19
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	34.3
66.49682	1.2
69.51101	4.0
69.51526	4.8
71.01368	7.0
78.91900	1.9
83.05059	2.4
85.02987	2.0
89.02464	4.8
90.49899	1.0
96.83076	1.1
96.96034	1.6
97.06599	1.2
98.20707	2.6
101.02460	3.2
113.02463	2.4
119.03532	1.9
119.05056	3.5
161.04541	1.3
179.08644	3.5
194.48813	1.1
211.07625	3.6
214.74286	1.1
219.06711	1.3
223.07648	34.8
224.08363	8.0
225.09315	3.1
237.09126	1.6
251.07150	1.6
256.07428	1.8
263.07162	10.3
264.07803	3.3
285.03976	1.5
293.15427	9.3
301.12234	1.5
311.05515	1.4
317.11890	2.4
318.12607	5.8
319.13409	4.5
363.19571	12.7
364.20071	1.9
389.17654	17.0
403.17709	2.6
407.18661	100.0
408.19086	10.9
411.07349	1.6
429.15671	10.6
430.15558	1.8
431.09912	2.0
445.51154	1.2
489.10849	1.4
489.24985	2.0
489.34415	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	489.19
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01110	0.9
59.01384	10.4
61.98833	1.6
67.01878	1.0
67.25910	0.6
69.53277	4.3
71.01378	2.3
82.95468	0.6
83.05029	1.9
85.02962	1.3
89.02473	1.1
97.06581	0.6
101.02485	1.0
113.02473	1.1
123.08169	1.0
136.39661	0.6
137.09760	0.6
179.08681	2.7
193.57062	0.6
196.08992	1.5
198.32840	0.6
209.06122	0.7
210.06940	0.7
211.07693	3.5
213.05669	0.8
221.06114	0.7
221.47879	0.5
222.06792	0.7
223.07655	30.4
224.08360	7.7
225.09174	2.4
235.07669	1.7
237.09219	3.4
241.08618	0.6
251.07144	1.1
256.07410	2.4
261.09393	0.8
263.07159	10.5
264.07837	2.0
275.07272	0.6
284.03433	0.8
289.08670	1.4
293.15518	7.7
301.12354	1.6
303.10309	1.8
305.12018	0.7
305.15591	1.1
309.10281	1.2
317.11777	1.3
318.12552	4.8
319.13373	4.4
345.18527	2.3
350.98935	0.6
361.18158	1.3
363.19678	13.4
377.12552	0.7
389.12756	0.7
389.17563	17.5
390.17932	1.6
403.17896	1.1
407.18637	100.0
408.18954	9.6
429.15540	8.7
489.10800	1.4
490.11182	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01385	11.7
61.98829	1.5
67.84701	0.9
71.54863	0.7
71.55244	1.1
73.02947	1.2
79.05573	1.3
83.05035	18.8
83.12886	0.7
88.23818	0.7
95.05035	2.2
97.06628	1.2
97.85443	0.7
99.92529	0.9
101.02431	0.9
105.92036	0.8
107.05041	3.3
109.06586	1.0
111.08258	0.7
116.92870	0.9
119.05073	2.0
121.02975	1.3
122.03757	3.4
123.08157	2.0
135.04546	4.5
135.08113	1.3
147.04530	0.9
149.02437	1.2
159.04533	1.1
169.06590	1.8
171.08130	3.9
173.06079	1.2
173.09744	0.9
175.07825	0.9
179.19838	0.8
185.09747	1.0
188.08398	2.1
197.09663	1.5
201.05585	1.5
213.09219	15.0
214.09464	1.0
215.07066	2.2
216.07893	0.9
219.06677	2.2
223.07655	2.7
223.11247	1.3
225.09235	7.2
226.09933	1.1
227.10614	1.3
235.11302	1.5
239.07239	0.8
239.10750	1.3
241.08737	1.6
249.12897	1.8
251.10732	0.8
261.12875	4.4
263.10959	0.8
265.08771	1.0
267.13895	7.0
277.12256	0.9
279.13962	8.3
291.10242	1.1
293.15622	1.0
311.16443	1.3
319.16995	1.7
327.16119	1.5
345.18579	3.0
363.19711	2.3
365.21310	1.4
383.22186	1.3
389.17618	38.3
390.17737	3.8
402.16113	1.0
405.17120	4.5
407.18674	100.0
408.19019	12.3
429.15640	8.0
431.09528	0.9
453.26547	36.7
454.26825	3.6
489.10242	2.7
489.17523	1.8
489.26678	1.6
489.35715	1.7
490.10818	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	489.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.9
61.98843	1.0
67.01876	2.2
71.01392	1.3
71.50559	1.1
83.05034	2.1
91.36874	0.8
96.96031	1.4
97.06582	1.0
100.44752	0.9
101.02464	1.9
133.02979	11.6
139.32320	0.8
146.60347	0.9
151.04034	1.1
163.75771	0.9
167.92094	0.8
169.06598	1.6
177.01927	4.9
178.71706	0.7
179.08687	2.8
182.07379	1.1
191.14520	1.0
192.04301	50.9
193.04639	2.0
195.04489	1.8
207.06638	55.2
207.17557	1.4
208.06940	2.5
209.05922	1.2
210.06808	1.5
211.04044	1.4
211.07597	2.7
223.07655	38.6
224.04774	1.3
224.08305	7.6
225.08952	0.9
235.07657	4.9
237.09276	4.3
237.18597	3.4
239.03496	4.1
256.07541	1.5
261.09293	2.4
262.09793	1.0
263.10751	1.7
264.11423	1.0
267.02884	5.3
267.06570	1.1
267.09222	1.2
268.03726	3.8
275.07104	4.2
282.05334	10.1
283.05972	3.9
284.03214	1.3
285.04196	1.3
289.08728	5.2
289.11746	1.0
290.09409	2.3
305.15530	7.8
309.10162	7.1
313.12491	2.4
322.08405	1.0
329.11731	2.5
331.13385	3.4
345.18665	9.4
363.19849	6.0
371.16568	1.4
389.12820	1.4
389.17615	9.7
407.18643	100.0
408.18869	10.0
413.12289	1.1
429.15451	7.7
431.09689	1.0
489.10245	1.3
489.35959	10.4
490.36295	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	489.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19162	1.0
59.01387	21.7
61.98836	3.1
68.99821	4.3
69.83260	2.4
69.83652	2.1
75.00861	2.4
83.05013	1.0
96.96017	2.0
107.01391	1.9
107.05035	1.6
131.33435	1.0
135.00887	2.1
135.04568	5.3
136.01668	6.3
137.02512	1.1
161.02477	1.4
163.00362	2.5
164.01166	3.7
172.63028	1.0
175.00360	1.2
175.03972	3.6
175.07664	1.9
176.04753	6.8
189.05568	2.1
201.05458	1.3
203.03534	1.5
204.04272	7.0
218.05846	1.3
219.06606	3.1
225.09129	1.2
237.09268	1.2
248.21968	1.0
254.05739	1.4
263.90402	1.0
267.06631	2.9
268.07214	1.4
269.08069	1.0
279.06683	5.5
280.11157	1.6
285.04056	1.5
293.08347	1.6
307.09799	1.7
308.10626	5.4
316.35049	1.1
323.12753	2.4
361.70557	1.0
407.18668	100.0
408.19052	9.7
413.12628	1.4
429.15424	4.6
453.19409	1.9
453.26089	1.3
489.23187	4.1
489.36221	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	489.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
59.01389	8.9
65.00325	1.7
68.99823	0.8
76.19721	0.5
83.01419	0.5
97.06630	0.7
107.01398	1.1
108.02197	0.6
109.04504	0.5
123.08166	1.0
135.00961	1.2
135.04590	0.7
136.01671	4.1
145.06586	1.0
155.08846	0.6
156.37628	0.6
161.02466	0.8
163.00414	0.8
163.04033	0.9
164.01147	2.4
171.04541	1.9
175.04018	1.0
176.01152	1.9
176.04855	1.3
177.01973	1.1
177.09396	0.6
197.20198	0.6
203.03383	0.8
204.04382	0.8
217.12390	1.4
223.07610	1.2
225.05409	0.8
225.09329	2.9
235.13454	0.9
239.07173	0.9
242.32628	0.6
253.17816	0.7
267.06573	0.9
268.07391	1.1
279.06674	1.7
303.12430	2.7
365.17422	1.2
377.12469	0.9
407.18668	100.0
408.19028	10.7
422.34796	0.7
429.15643	4.6
430.15726	0.8
445.37170	0.9
447.16714	2.3
453.26367	0.7
489.17740	1.7
489.36749	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34023	1.7
57.03460	2.8
58.00602	2.9
59.01386	85.6
61.98809	1.5
66.82729	1.5
69.03447	1.7
69.43854	6.2
69.44260	3.6
70.59470	1.6
71.01392	63.8
72.99310	4.3
73.02952	19.6
73.27247	1.4
77.76129	1.7
83.01391	4.0
85.02967	9.9
87.00881	3.5
87.12547	1.7
89.02455	99.0
96.96008	4.5
99.00902	24.8
101.02459	41.4
101.03113	2.3
102.02736	1.6
113.02474	10.3
116.92840	2.3
119.03503	5.0
119.05064	1.7
119.72898	1.4
125.02426	5.5
131.03522	23.4
133.02969	2.6
134.03738	3.5
143.03481	2.1
149.04576	74.1
151.03983	2.1
161.02498	4.0
161.04498	2.4
162.03241	77.4
163.03807	3.0
177.05589	100.0
178.05911	3.2
191.05635	15.1
195.05103	5.9
205.08685	3.6
221.06635	2.1
233.08322	1.4
249.11296	3.6
249.17155	1.5
251.07707	5.5
311.05563	1.5
319.31830	1.7
327.05301	2.0
340.23212	1.7
369.06079	5.5
399.07227	2.5
471.14746	3.5
489.10281	4.8
489.16101	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	489.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76065	0.2
51.43450	0.3
53.31111	0.3
57.03455	0.7
59.01385	15.3
69.03476	0.3
69.35506	0.3
69.70399	1.5
71.01391	2.6
73.02945	0.7
75.00873	0.5
81.03485	0.3
83.01400	0.5
83.05045	0.8
85.02953	1.1
87.00876	0.5
87.37923	0.2
89.02453	0.8
95.01407	0.8
95.05016	0.3
99.00900	0.6
101.02451	1.6
105.03472	0.5
108.02209	1.0
109.02966	1.4
113.02465	1.1
121.02952	0.5
123.00908	0.7
123.04521	0.7
124.01700	0.5
132.02182	0.8
133.03003	1.6
136.01674	3.1
137.02473	0.7
140.77248	0.3
149.02454	0.3
160.01695	2.1
161.02461	16.2
162.02832	0.5
167.03497	0.9
171.04568	0.4
172.05290	0.6
173.06084	0.3
177.12831	0.3
185.06081	0.9
186.06891	0.4
195.04440	0.4
195.13899	0.5
196.05443	0.4
197.06099	0.7
198.03212	0.4
199.03970	1.5
200.04837	0.6
201.05527	0.5
211.04054	1.0
213.01973	0.5
213.05611	2.1
214.06367	1.1
223.07741	0.4
224.04811	2.1
225.05574	1.9
226.06436	1.0
227.03572	1.6
228.04173	0.6
229.18216	0.3
239.07162	0.4
241.05110	1.9
241.08694	0.5
242.05891	0.9
252.04355	1.8
253.05099	2.7
254.02374	0.5
254.05685	0.4
255.02998	2.5
255.06552	0.5
256.03494	0.5
267.06812	1.6
268.03778	0.3
269.04559	4.5
270.05347	71.6
271.05713	4.5
283.02621	0.4
283.06226	0.9
284.03247	1.0
284.06848	1.6
285.07700	100.0
286.08026	7.1
286.11047	0.5
341.21796	0.4
357.26483	1.7
371.24338	0.5
429.11780	0.5
447.12933	0.4
447.26282	0.3
489.14627	5.0
489.20313	1.4
489.26443	4.4
490.14130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89373	0.4
59.01386	25.4
61.98845	0.4
71.01387	3.9
73.02956	1.5
75.00874	0.9
78.49841	0.3
79.73409	0.3
83.01383	0.8
85.02962	1.8
87.04512	0.5
89.02449	2.1
95.01386	1.2
99.00958	0.4
101.02465	2.7
105.03493	1.0
108.02165	0.9
109.02976	1.5
109.62283	0.3
113.02450	1.2
119.03518	0.8
123.00877	0.8
123.04539	0.9
124.01664	0.5
125.09718	0.4
132.02228	0.7
133.02945	1.3
136.01666	3.1
137.02422	0.5
149.02438	0.4
154.02463	0.3
155.10835	0.5
160.01654	1.5
161.02460	17.2
161.04579	0.8
171.10294	1.0
172.05273	0.7
173.05972	0.4
183.04524	0.5
185.06017	0.8
186.06813	0.8
196.05211	0.5
198.06783	0.4
199.03960	0.9
200.04845	0.6
209.11731	0.5
211.13362	0.8
213.05615	1.3
214.06302	1.0
223.07784	0.6
224.04747	2.0
225.05595	1.3
225.14906	0.4
226.06396	0.7
227.03528	1.5
228.04236	0.4
229.12450	0.5
229.14426	2.3
241.05046	1.3
242.05862	1.2
252.04196	2.0
253.05106	2.6
255.03011	2.4
267.06635	1.4
269.04605	1.5
270.05347	65.6
271.05679	3.9
284.03278	1.2
284.83408	0.4
285.07703	100.0
286.08035	6.5
291.19690	1.5
309.20746	1.2
327.21823	0.9
357.26440	0.5
368.68616	0.4
371.24615	1.7
429.24936	0.3
447.26309	0.6
489.27072	17.8
490.27570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1406
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
58.00603	1.1
59.01121	1.3
59.01387	22.2
65.22781	1.0
71.01395	13.8
71.54866	1.2
73.02938	3.8
74.51799	0.9
83.01392	1.2
85.02942	3.0
87.00868	2.3
89.02451	12.2
93.03465	18.9
95.01400	1.5
96.96005	3.7
96.99313	2.5
99.00891	2.6
101.02447	6.9
108.02163	2.2
113.02444	3.7
115.00378	3.4
116.76844	1.1
117.03481	1.9
119.05050	23.2
120.05345	1.2
121.02969	1.9
123.04500	2.1
125.02442	1.7
130.04251	1.4
131.03499	2.5
131.05032	5.8
133.02881	1.4
133.06625	2.3
134.03687	1.4
135.04547	66.8
136.04839	2.5
143.05028	4.5
145.02931	1.9
145.06584	5.8
145.21118	1.1
147.04518	2.6
149.04604	8.7
150.03255	1.3
151.03964	1.3
159.04515	3.1
161.04506	2.6
162.03232	4.2
163.04031	14.5
165.05666	1.7
166.05019	1.6
171.04521	3.1
177.05571	13.0
178.96878	1.1
184.31618	1.1
191.05537	1.9
195.06627	1.4
209.06117	1.2
210.06868	10.9
211.07658	35.8
212.08040	1.6
219.08183	1.4
222.06793	1.6
222.51120	1.0
223.07642	5.1
226.13869	1.1
235.07541	4.4
237.09233	47.9
238.09749	4.3
239.10834	14.6
247.07645	1.3
253.08765	7.1
263.07184	1.9
264.07889	3.4
265.08673	13.8
266.09061	1.2
283.09537	1.7
293.08917	1.2
309.07724	3.1
320.36072	1.4
323.66885	1.1
327.08932	2.4
373.12802	2.0
453.19922	1.7
489.14050	100.0
490.14243	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	489.1406
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
52.09774	0.7
57.03442	0.7
58.87460	0.6
59.01387	13.4
69.23776	6.1
69.35296	0.6
71.01380	10.1
72.83203	0.7
73.02959	2.4
82.95448	1.6
83.36146	0.7
85.02969	2.0
87.00909	1.8
87.31885	0.6
89.02457	4.0
91.05562	0.7
93.03468	14.5
96.96023	1.1
99.00871	0.7
101.02466	4.0
108.02203	1.7
113.02464	2.6
115.00396	2.1
119.05037	91.1
120.01260	1.9
120.05389	2.4
121.02959	1.7
123.04549	1.3
128.03543	1.7
131.05031	1.8
132.05818	4.2
133.06598	2.1
134.03654	0.8
135.04535	1.4
137.02461	0.7
145.06598	3.0
147.04590	1.2
148.05338	0.8
149.06038	1.0
152.01170	1.3
156.59300	0.8
161.02379	1.0
161.04550	1.0
163.04018	46.2
164.04457	1.6
165.05525	0.8
175.02573	0.8
177.05580	13.9
178.05858	1.0
195.06638	4.5
195.54178	0.7
210.06882	16.6
211.07649	100.0
212.07982	7.2
237.09308	4.9
239.10789	23.7
240.11145	2.0
253.08795	1.3
283.09793	8.5
284.03088	0.8
327.08728	1.4
327.14459	1.5
357.12057	0.8
373.12891	4.1
373.17316	0.7
471.21375	0.9
489.14053	84.6
490.14423	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	489.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32494	0.3
59.01384	44.5
60.01692	0.4
60.91204	0.3
70.50172	1.2
71.01397	1.2
73.02960	1.0
75.00877	0.6
83.01408	0.3
85.02966	0.7
88.35867	0.3
89.02454	0.6
91.01925	0.4
100.85780	0.4
101.02470	0.9
107.01419	0.3
109.02968	2.8
113.02456	0.5
116.06496	0.4
123.00893	0.4
127.27102	0.4
132.02158	1.9
135.00923	0.8
147.00819	0.3
149.04601	0.4
149.99547	0.5
151.00406	0.9
161.04596	0.6
164.01184	0.6
181.12384	1.0
195.04509	1.2
208.05328	1.1
223.04010	5.0
224.04820	1.8
225.11304	0.7
225.14983	0.5
251.03540	3.5
252.04285	49.7
253.04631	2.6
255.03000	0.5
259.15677	0.3
267.06631	100.0
268.06961	6.5
268.09625	0.6
270.05301	0.4
284.03305	0.8
284.06662	0.4
285.04086	1.2
285.07672	10.3
286.08014	0.5
312.02686	0.5
327.05161	0.8
327.08792	0.4
371.24191	0.5
387.20227	0.4
429.12119	0.4
456.13092	0.3
489.08987	0.4
489.13684	1.8
489.26968	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	489.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02333	0.2
57.03448	0.2
59.01383	43.9
60.01719	0.3
63.02398	0.3
65.00337	0.7
69.16776	0.7
69.17197	1.1
71.01385	1.1
73.02960	0.6
75.00881	0.5
83.01403	0.8
85.02975	0.5
87.00896	0.2
89.02486	0.6
101.02450	1.0
105.03495	0.2
107.01383	1.8
108.02151	0.2
109.03009	0.2
113.02479	0.8
117.97112	0.2
119.03513	0.2
121.02975	0.5
129.01933	0.2
131.30893	0.2
132.02191	0.2
133.02968	7.1
134.03343	0.2
135.52419	0.2
148.01663	0.3
149.02432	1.4
149.04581	0.3
151.00368	4.5
160.01666	0.4
160.58559	0.2
161.04567	0.3
171.04521	0.5
175.04008	3.1
176.01108	0.6
177.01897	0.6
185.06094	0.3
187.04070	0.2
195.04936	0.3
196.05247	0.2
197.06065	0.4
198.03229	0.4
199.03983	2.3
200.04382	0.2
201.01935	0.6
207.14001	0.4
211.04010	0.4
212.04781	0.4
213.05467	0.4
215.03616	0.4
216.03886	0.2
217.04993	1.3
223.04083	0.2
227.03525	0.6
229.05058	0.5
240.04297	0.4
241.05011	0.9
243.02997	0.8
255.02953	1.0
256.03668	1.3
257.04462	0.5
257.08139	0.3
267.03061	0.4
268.03683	0.3
281.09244	0.3
283.02853	0.4
284.03302	6.5
285.04050	100.0
286.01126	0.4
286.04398	6.0
300.02747	0.2
371.24277	0.4
387.20206	0.3
429.08090	0.7
429.21021	0.4
489.10367	12.8
489.26413	0.9
490.10626	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	489.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41891	0.3
59.01384	30.8
63.02432	0.5
65.00353	0.8
67.31192	0.4
69.27820	0.7
69.28223	3.0
71.13612	0.4
73.02946	0.5
73.72632	0.4
83.01407	0.4
93.03477	1.1
101.02453	0.5
107.01389	2.6
109.02943	0.6
132.02155	1.1
135.00902	2.0
143.05040	0.6
145.02919	0.4
149.02477	0.4
151.00362	2.1
157.06535	0.8
159.04495	1.1
163.00513	2.0
164.01064	0.5
167.05222	0.4
169.06602	0.4
171.04498	0.8
175.22034	0.4
183.04597	0.9
185.02472	0.6
185.06085	1.4
187.04004	2.8
189.05484	0.7
190.99881	0.6
195.04504	0.6
197.06081	1.0
199.03961	1.6
211.03966	2.1
213.05583	1.7
214.02724	0.5
227.03503	28.4
228.03880	1.6
229.05066	8.3
239.03505	1.4
240.04259	0.5
241.05092	0.8
249.21663	0.4
255.02995	59.0
256.03494	6.3
257.04587	5.2
267.03119	0.9
283.02448	0.9
284.03275	82.9
285.04034	100.0
286.04428	5.8
327.05225	0.7
369.19147	0.7
387.20062	0.5
434.93744	0.5
444.82529	0.4
447.09415	0.5
489.10410	44.1
490.10773	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	489.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41891	0.3
59.01384	30.8
63.02432	0.5
65.00353	0.8
67.31192	0.4
69.27820	0.7
69.28223	3.0
71.13612	0.4
73.02946	0.5
73.72632	0.4
83.01407	0.4
93.03477	1.1
101.02453	0.5
107.01389	2.6
109.02943	0.6
132.02155	1.1
135.00902	2.0
143.05040	0.6
145.02919	0.4
149.02477	0.4
151.00362	2.1
157.06535	0.8
159.04495	1.1
163.00513	2.0
164.01064	0.5
167.05222	0.4
169.06602	0.4
171.04498	0.8
175.22034	0.4
183.04597	0.9
185.02472	0.6
185.06085	1.4
187.04004	2.8
189.05484	0.7
190.99881	0.6
195.04504	0.6
197.06081	1.0
199.03961	1.6
211.03966	2.1
213.05583	1.7
214.02724	0.5
227.03503	28.4
228.03880	1.6
229.05066	8.3
239.03505	1.4
240.04259	0.5
241.05092	0.8
249.21663	0.4
255.02995	59.0
256.03494	6.3
257.04587	5.2
267.03119	0.9
283.02448	0.9
284.03275	82.9
285.04034	100.0
286.04428	5.8
327.05225	0.7
369.19147	0.7
387.20062	0.5
434.93744	0.5
444.82529	0.4
447.09415	0.5
489.10410	44.1
490.10773	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	488.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21821	1.0
59.01121	1.1
59.01383	14.7
61.98837	100.0
70.83006	2.8
71.01381	3.0
76.95789	0.9
78.95900	1.3
83.05048	1.2
93.03480	1.6
97.32879	1.0
121.02956	2.1
135.04524	1.0
149.02432	1.5
151.04082	1.5
161.02431	4.5
163.04008	2.6
175.07607	1.3
191.03503	1.6
191.07112	1.4
201.05571	1.5
203.10767	2.6
261.14859	3.4
300.13641	4.0
301.14459	4.6
319.15598	14.2
407.18768	2.7
425.19708	54.6
426.19983	6.8
453.23297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.3
61.98840	100.0
71.01391	3.0
71.10153	2.1
71.54610	3.3
72.89675	2.0
75.27134	1.9
80.84084	2.2
83.05034	3.3
83.13609	1.9
130.07059	2.5
148.01718	2.2
174.03268	2.7
191.10822	6.1
229.08548	3.2
231.10403	4.0
261.14993	9.4
285.04153	2.9
300.13812	3.9
301.14355	10.0
319.15527	17.6
395.38037	2.9
407.18481	5.8
425.19717	73.2
426.19839	5.9
428.21298	5.3
472.61813	2.8
489.32123	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	488.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91477	0.7
59.01389	3.4
61.36337	0.6
61.98837	100.0
66.04163	0.6
66.78683	0.6
69.20776	5.5
69.97282	0.6
77.90837	0.7
81.47787	0.6
82.57035	0.6
88.73239	0.6
98.20665	1.2
108.02186	0.9
111.65427	0.6
112.49341	0.7
118.45234	0.7
121.02993	1.6
122.03747	1.3
123.04551	1.3
135.04620	1.4
149.02457	0.8
161.02466	3.9
174.03287	2.3
175.07771	0.7
179.03534	1.2
204.51271	0.7
245.15440	9.3
257.15503	1.8
285.14948	7.4
303.16022	26.1
304.16461	1.5
389.17844	0.8
392.05118	0.8
407.18652	4.1
425.19693	23.5
426.20300	2.8
487.34277	3.4
488.34659	4.8
489.35464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3433
Annotation	Madasiatic acid
Peak:m/z	Relative Intensity
53.78167	0.4
55.17354	0.4
59.01374	1.4
71.55219	0.7
71.55636	0.5
83.73971	0.4
92.57412	0.4
112.75185	0.4
123.08149	0.7
135.08182	1.7
152.22751	0.4
175.11285	0.4
225.09207	1.0
243.40237	0.5
273.22424	0.6
335.23499	0.5
377.24933	3.4
378.25378	0.7
383.28622	0.9
383.33191	9.9
384.33545	1.1
393.28107	5.6
409.31122	16.5
409.36407	1.0
410.24667	3.8
410.31454	1.9
411.25284	0.6
425.34286	28.5
426.34579	3.9
429.33224	0.6
443.26019	0.8
443.35379	6.3
444.35608	0.9
469.33405	2.1
487.34344	100.0
488.34723	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	488.193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59011	0.9
59.01373	2.7
61.98835	100.0
71.02338	1.3
91.01913	0.9
93.26797	0.7
100.30068	0.8
122.03741	4.6
150.03233	1.6
161.02472	1.5
169.10234	1.0
171.08229	2.8
213.09227	19.8
213.11182	1.4
214.09628	1.3
237.09254	6.0
239.07233	2.2
241.06236	1.4
241.08714	29.0
242.09123	2.1
248.27147	0.8
267.06586	0.9
281.08139	1.5
285.07715	61.9
286.08023	4.8
328.37888	0.8
394.77982	0.9
425.19708	31.8
426.19968	4.0
488.34479	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	487.3272
Annotation	Gephyronic acid
Peak:m/z	Relative Intensity
55.01881	8.1
57.03452	14.3
58.00598	2.9
59.01384	55.3
60.01716	0.3
61.98837	0.5
64.45335	0.3
67.01894	0.9
68.99823	1.6
69.03461	6.1
70.09129	1.4
71.01387	100.0
71.05024	1.2
72.01733	1.0
72.99313	6.2
73.02953	34.0
74.03303	0.4
75.00877	2.0
81.03056	0.3
81.03470	1.7
83.01393	64.3
83.05044	0.9
84.01720	1.0
84.02175	0.8
85.02958	73.3
86.00105	4.8
86.03298	1.0
86.27155	0.3
87.00881	7.5
87.04536	1.4
89.02456	6.0
93.03452	0.7
93.07105	34.5
94.07459	0.8
95.01394	13.3
95.05022	0.7
96.96087	0.4
97.02963	8.9
97.06596	1.3
98.20581	0.3
99.00890	18.1
99.04519	0.5
99.08173	1.1
100.01714	0.4
101.02451	79.7
101.52717	0.3
102.02789	0.9
103.04041	0.5
109.06616	1.0
111.00885	7.6
111.04501	0.4
111.08173	8.9
112.01685	6.9
113.02458	56.2
113.09814	0.4
114.02792	1.1
115.04008	3.2
119.03478	0.7
123.00919	0.5
123.08199	0.6
124.01659	3.2
125.02456	9.4
125.09720	0.4
127.07617	0.6
129.01935	2.6
129.09148	0.7
131.03523	1.1
137.06064	0.6
139.00401	0.3
141.01962	1.2
141.12880	0.6
142.02734	1.2
143.03506	14.4
143.04637	0.7
143.10782	2.1
159.03000	9.3
161.04564	35.3
162.04953	0.6
171.10365	0.5
179.05508	0.4
197.15544	0.6
197.19128	0.5
205.03519	0.7
211.17035	6.9
213.18611	32.7
214.18941	1.9
225.18536	1.0
227.06940	0.5
230.06818	0.4
241.47096	0.4
255.19768	0.9
263.92023	0.3
269.21179	0.3
279.19376	0.3
279.23334	0.9
283.19125	1.0
283.26553	0.7
291.19785	0.6
295.26288	0.4
297.24384	1.1
307.26309	0.6
309.20871	1.9
313.27448	2.6
325.27402	2.3
327.21756	1.9
327.28925	0.8
336.58682	0.4
337.27667	0.4
341.27121	0.6
343.28540	10.9
344.28885	1.1
355.24835	1.1
355.28656	0.6
357.22845	50.0
358.23227	4.0
367.28592	1.2
369.60275	0.4
375.23898	32.0
376.24228	2.5
381.30481	0.5
385.29535	0.9
397.29321	0.3
409.29596	0.8
413.29257	0.7
421.29681	1.0
427.30630	5.7
428.30966	0.8
433.29926	0.4
439.30627	2.9
449.92014	0.4
451.31015	1.7
457.31699	3.7
469.31995	3.3
487.32800	92.4
488.33081	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	487.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.0
55.58319	0.6
56.31369	0.6
57.03455	2.3
59.01385	100.0
59.44443	0.7
60.01743	0.9
69.03481	0.6
70.66559	1.3
70.66917	0.9
71.01392	13.7
71.05021	0.7
72.99300	0.7
73.02961	3.8
75.00870	0.7
81.08233	0.7
83.01400	2.8
85.02958	9.6
87.00896	1.0
87.78362	0.7
89.02467	2.8
92.73415	0.6
95.01431	2.4
96.96016	0.6
97.02975	0.7
99.00890	1.6
101.02438	5.1
102.19596	0.6
106.46751	0.6
108.02173	0.8
113.02464	11.4
138.88229	0.6
143.03531	1.3
158.85129	0.6
161.04575	3.1
165.21104	0.6
185.11807	0.7
211.08055	0.7
211.10066	0.7
254.06076	0.9
255.06892	1.2
265.62024	0.6
267.03058	1.1
268.03796	9.4
283.06143	20.7
283.09152	1.1
283.13434	0.7
296.03458	1.8
343.28574	1.4
355.25204	2.2
386.36871	0.7
427.23450	1.2
470.23575	0.9
487.26416	1.3
487.33127	6.1
508.77231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06948	2.5
56.53112	2.5
57.26417	2.1
58.80666	2.3
59.01384	14.4
60.07437	2.2
61.98832	4.1
63.26924	2.6
65.00325	3.2
71.05035	2.5
71.18282	6.0
72.86486	2.3
75.00871	7.2
83.05014	7.1
106.25931	2.6
109.02934	3.4
119.02782	2.9
123.08240	2.7
136.01656	3.2
151.00427	3.6
170.88411	2.8
176.04788	3.7
182.71211	2.9
201.05566	3.1
209.15509	2.8
211.07596	3.0
219.06638	7.9
223.07655	3.5
231.21321	2.9
235.17033	14.9
255.06563	6.9
267.06491	3.0
275.20197	15.7
282.11533	2.5
293.21222	49.0
294.21667	4.9
333.02637	2.6
405.17062	100.0
406.17261	7.5
469.33728	3.3
487.24994	8.7
487.33997	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01722	1.7
71.01392	3.0
71.55630	1.2
73.02972	2.1
75.00875	0.9
79.62554	0.7
85.02967	1.2
89.02457	1.7
96.95998	1.2
99.04506	1.2
101.02483	2.1
113.02470	2.3
132.81862	0.7
147.58606	0.7
149.04579	3.0
160.08849	0.7
161.35260	0.7
177.09618	0.8
179.10797	8.4
205.12395	2.2
219.42442	0.8
223.09785	1.3
244.59709	0.9
249.06688	0.7
315.38385	0.8
342.85101	1.1
355.14124	1.1
487.18710	1.1
487.25623	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	487.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55996	0.4
56.52630	0.5
57.03432	0.4
59.01385	100.0
60.01736	0.9
70.01067	0.7
70.01463	1.7
71.01385	4.2
73.02959	3.5
75.00896	0.6
75.18787	0.4
83.01415	0.8
85.02963	1.0
87.00917	0.5
89.02467	1.6
101.02462	4.4
113.02451	1.9
119.03484	0.5
135.03018	1.8
143.03528	0.4
147.04668	0.4
148.05328	2.7
155.03545	0.4
161.04556	2.0
163.07722	1.3
205.12323	2.7
209.54399	0.4
223.13571	0.5
487.18201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15406	0.3
55.01891	0.7
56.48040	0.3
57.03450	2.0
59.01384	100.0
59.74259	0.3
60.01714	1.3
61.01804	0.6
61.98839	0.8
69.03477	0.6
69.23264	1.6
69.23695	1.4
71.01389	10.5
72.01726	0.3
72.99301	0.8
73.02949	2.3
75.00874	0.6
83.01392	3.0
83.05013	0.3
85.02953	6.7
87.00910	1.4
89.02475	1.8
93.07119	1.1
95.01382	1.7
96.96014	0.5
97.02985	0.7
97.06620	0.4
99.00898	1.3
99.04542	0.5
101.02454	5.5
111.08170	0.3
112.01725	0.6
113.02451	6.6
115.00366	0.6
119.03548	0.4
125.02462	0.8
131.03587	0.4
133.01392	0.4
135.04500	0.4
137.02507	0.3
143.03569	0.9
149.04521	0.3
150.58749	0.3
161.04547	2.3
197.15527	0.4
205.64258	0.3
213.18619	0.7
237.15041	0.4
249.06302	0.4
265.18185	0.3
273.59064	0.3
283.06183	0.7
309.15253	0.4
325.27451	0.4
327.16150	0.5
343.28595	0.8
355.25146	1.3
357.22812	2.2
369.22791	0.6
375.24261	0.5
469.31726	0.7
487.25620	2.7
487.32999	7.2
488.26599	0.4
488.33359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.5
59.01384	16.9
61.65358	1.3
61.98835	3.5
66.95937	1.6
69.68719	7.2
70.78295	1.2
71.01397	9.4
73.02957	4.5
75.00877	5.3
80.91682	1.5
81.51003	1.5
82.95426	27.6
83.01380	1.9
85.02963	5.5
87.00885	2.4
89.02447	4.6
93.03483	2.2
96.96023	5.4
98.95551	1.5
99.00876	2.8
99.04522	1.9
99.92603	1.5
101.02451	5.3
109.02953	1.4
111.00896	2.3
113.02444	6.7
114.72012	1.3
116.92867	3.4
119.05016	7.5
120.01275	2.2
120.49378	1.3
121.02998	2.2
123.04449	1.4
128.03548	1.4
129.01945	2.9
134.03754	38.9
137.02470	8.0
139.04057	1.6
145.03015	1.7
147.04485	1.7
148.05295	2.7
149.06078	16.7
151.04019	1.7
160.01636	3.0
163.04045	4.1
163.07669	2.5
167.03458	2.1
175.04002	3.2
178.02728	26.4
179.03337	1.4
188.04854	1.9
193.05070	100.0
194.05380	2.7
195.05083	6.0
203.07166	1.7
211.07668	4.5
221.08214	3.6
235.06116	2.1
283.15369	1.9
315.25452	1.7
318.03970	1.4
330.24902	1.4
355.10391	9.3
427.12198	8.7
487.08569	1.8
487.14572	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	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84764	7.9
57.03452	11.2
59.01385	100.0
61.98832	27.1
71.01393	67.8
71.55061	8.4
73.02943	20.7
75.00883	17.0
81.03461	7.6
83.01389	14.4
85.02954	29.9
87.00889	19.2
89.02460	43.7
93.03470	13.2
96.96034	42.3
97.02957	8.3
98.95580	22.9
99.00922	15.5
99.92599	34.3
100.93399	6.7
101.02446	40.4
108.02219	6.8
109.02973	8.7
113.02454	28.2
115.00388	7.1
115.92099	17.0
116.92860	46.8
117.03465	11.6
119.03527	15.4
119.05035	28.0
120.01273	21.7
121.02891	8.3
123.04552	9.1
133.02911	7.8
134.03746	75.1
135.04555	20.1
137.02458	15.3
138.05644	11.0
141.25331	7.1
141.96442	7.5
145.02962	53.2
148.05301	16.7
149.02419	24.2
149.06090	24.3
151.03996	8.7
160.01677	26.2
161.02438	17.0
161.04620	10.2
161.05968	8.0
163.03961	41.0
163.07649	26.0
164.04796	8.6
165.02147	7.4
167.03514	70.6
173.05994	7.4
175.03984	30.4
178.02715	13.3
179.03539	8.2
188.04752	13.3
191.05260	6.4
193.05034	81.7
205.05136	9.4
206.05940	7.9
213.15421	7.3
219.02922	8.3
221.08188	12.7
221.85190	7.6
223.05917	6.8
247.06046	8.2
255.11385	7.9
265.07108	10.1
281.08942	7.7
289.07193	56.5
303.07101	12.6
307.08191	19.9
383.13336	10.5
427.12305	64.5
451.06824	17.4
452.18356	11.3
470.19278	9.2
487.08405	10.1
487.15192	51.0
488.20068	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	487.1252
Annotation	Echioidinin 2'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01384	56.9
70.91663	2.4
71.01388	8.2
73.02948	2.4
73.96074	1.0
83.38961	1.0
85.02964	3.5
89.02458	1.9
99.00891	1.1
101.02460	3.4
108.02177	1.6
109.02949	3.4
113.02444	6.3
120.76543	1.0
121.02979	2.4
133.02971	5.5
137.02461	1.5
141.07164	1.3
145.02966	2.7
169.06552	1.2
183.33501	1.1
185.06113	3.1
187.07608	1.5
196.05284	2.0
209.05997	2.5
210.06822	3.0
211.03957	2.3
211.07643	3.8
213.05609	3.7
225.05553	2.5
229.41025	1.2
237.05547	1.9
237.15015	2.5
239.03517	2.1
239.07201	2.5
240.04300	4.7
253.05070	2.1
254.05855	20.8
255.02904	2.1
255.06630	22.2
268.03772	5.4
283.06134	100.0
284.06503	7.4
320.39645	1.2
487.20834	1.6
495.21548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12833	0.1
59.01383	1.3
65.75483	0.1
69.19453	1.3
70.88280	0.2
98.00133	0.1
101.02399	0.2
103.01888	0.1
108.02165	0.2
112.64864	0.1
113.02460	0.2
117.03473	0.2
119.79588	0.2
131.01395	0.7
132.02180	2.1
147.00899	0.2
147.23425	0.1
149.02473	0.2
149.46770	0.1
163.00395	0.2
167.04962	0.8
168.05798	0.2
171.04533	0.3
175.00386	1.5
183.04523	0.5
184.05304	0.7
195.04462	1.8
196.05334	1.2
211.03960	1.2
212.04808	3.4
223.03999	2.8
224.04793	12.2
225.05116	0.5
227.03497	0.5
228.04257	0.3
239.03506	4.4
239.07188	0.4
240.04286	3.0
241.04730	0.2
251.03491	0.8
255.06612	0.3
256.03830	1.8
267.02966	3.8
268.03778	32.8
269.04175	2.0
282.05310	0.9
283.06134	100.0
284.06479	6.2
284.09641	0.2
487.12427	3.0
487.24829	0.2
488.12994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.4
61.98825	0.4
68.00185	0.3
69.34850	1.3
69.35278	1.2
71.01390	1.4
73.02971	0.9
74.99082	0.4
82.55975	0.3
85.02960	0.8
87.00879	0.6
91.01930	0.6
101.02435	0.8
113.02446	0.7
119.05013	0.4
132.02176	0.8
135.00888	1.2
135.04523	0.4
163.03957	0.5
167.03511	0.7
175.04033	0.7
181.28061	0.4
195.04588	1.3
205.05058	0.6
210.03206	1.8
211.04015	30.1
212.04478	2.6
224.04659	0.5
225.05544	2.1
227.07109	1.5
239.03513	79.0
240.04207	16.4
241.04659	0.9
245.61432	0.3
253.04987	0.4
255.06604	1.4
267.03003	56.4
268.03732	23.1
269.04092	1.1
282.05356	40.4
283.06128	100.0
284.06476	6.9
325.07294	0.5
487.12482	29.0
488.12970	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	487.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87348	0.4
57.03448	0.5
59.01387	12.2
61.98824	0.6
71.01383	2.4
71.55500	0.5
73.02959	1.1
74.99094	1.3
83.01497	0.4
85.02953	1.2
87.00900	0.5
89.02454	1.0
95.01424	0.4
96.74924	0.4
96.96030	1.0
97.06583	0.5
99.00855	0.4
101.02463	1.3
103.45757	0.4
106.16507	0.4
113.02451	1.2
132.02194	2.8
149.02483	0.7
149.04547	0.4
167.05064	0.5
175.00391	0.7
179.10773	0.6
195.04529	1.2
196.05363	0.8
202.03722	0.4
211.04015	1.1
212.04758	2.6
223.03946	2.2
224.04788	8.9
239.03502	4.2
240.04338	2.9
245.07896	0.4
251.03503	1.0
256.03775	1.2
267.03012	9.3
268.03778	36.7
269.04016	2.0
282.05359	3.6
283.06149	100.0
284.06421	6.6
314.76068	0.4
325.07199	0.8
340.05896	0.4
427.10400	8.8
428.10403	0.6
445.11426	0.7
445.24619	0.4
487.12509	4.7
487.25760	1.8
488.13214	0.5
503.61884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38842	0.2
59.01385	4.6
69.87010	0.7
71.01394	0.5
73.37566	0.2
75.00894	0.3
85.02936	0.3
89.02458	0.3
98.20627	0.2
113.02480	0.2
131.01381	0.4
132.02177	1.9
149.02469	0.6
149.04561	0.3
167.05043	0.8
175.00392	1.6
179.10760	0.7
183.04541	0.7
184.05283	0.8
195.04550	2.0
196.05275	1.2
210.03456	0.2
211.04044	1.4
212.04797	3.2
223.03993	3.3
224.04788	12.1
225.05173	0.6
227.03542	0.5
239.03491	6.0
239.07217	0.6
240.04269	3.2
251.03444	0.6
255.06564	0.3
256.03799	1.5
267.03021	6.7
268.03784	33.6
269.04074	2.0
282.05371	5.1
283.06140	100.0
284.06482	6.5
427.10336	2.4
445.11139	0.2
487.12509	8.3
487.18234	0.3
488.12314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.125
Annotation	Acacetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
56.80998	0.2
57.03454	1.0
59.01385	18.2
60.01685	0.3
65.85977	0.2
68.99808	0.4
69.03429	0.2
69.23912	0.9
69.24332	1.0
71.01392	3.3
72.99284	0.3
73.02950	1.1
83.01413	1.2
84.59631	0.2
85.02963	2.5
87.00880	0.3
89.02424	0.7
91.01903	0.3
95.01381	0.7
96.95988	0.2
97.02936	0.4
99.00914	0.4
101.02438	1.5
107.01358	0.3
107.81382	0.2
112.01617	0.2
113.02457	3.3
120.22059	0.2
121.02973	0.2
129.62007	0.2
132.02170	2.7
135.00877	0.8
143.10751	0.2
151.00356	1.6
161.04524	0.8
180.05817	0.8
184.05269	0.3
195.04536	1.0
196.05295	0.6
200.04753	0.8
208.05258	0.2
211.03996	1.9
211.26823	0.2
212.04872	1.1
215.07124	0.5
223.04015	1.4
224.04767	2.5
226.02710	1.0
236.04623	0.3
237.05632	0.4
239.03508	5.4
239.07088	0.4
240.04285	2.9
252.04277	2.5
253.04958	0.4
254.05884	0.9
255.06584	0.7
267.02988	6.8
267.06577	1.0
268.03772	56.5
269.04132	3.4
281.04617	0.4
282.02457	0.2
282.05228	1.0
283.06128	100.0
284.06464	6.2
284.09604	0.2
285.07816	0.7
290.05838	0.5
295.06219	0.3
296.03360	2.0
297.04572	0.3
297.07562	1.3
300.06473	0.3
305.08270	0.9
307.06104	0.3
310.04962	0.4
311.05576	0.7
325.07196	3.1
326.07373	0.3
334.04950	0.2
337.07007	0.2
343.28531	0.8
349.07251	0.4
355.24826	2.2
487.27048	0.3
487.33243	2.1
503.01718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.0
61.85779	0.5
61.98836	100.0
71.50993	1.1
73.84248	0.5
95.71909	0.6
105.66387	0.6
139.17204	0.5
177.01808	0.5
220.06879	0.6
252.16982	1.2
262.98193	0.8
335.09012	0.7
405.17300	2.0
423.18286	5.2
485.32852	1.4
486.33463	5.6
487.34286	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	486.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52356	0.5
54.78473	0.5
59.01368	0.5
61.98826	0.6
64.59534	0.4
65.96087	0.5
71.54819	0.5
71.55244	0.5
79.84626	0.6
88.04052	52.4
89.04396	0.4
90.33822	0.5
93.66731	0.5
96.96049	0.7
109.03360	0.5
120.26954	0.5
147.08185	1.9
149.09706	0.7
161.09717	1.3
163.11340	3.0
170.16170	0.5
187.11307	2.9
265.12299	1.2
279.13959	1.1
280.14719	1.0
309.22321	1.1
336.20920	0.7
337.21762	100.0
338.22049	10.0
382.27530	0.9
486.26965	10.7
486.33487	1.2
487.26819	1.6
487.34216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1253
Annotation	Echioidinin 2'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.38872	1.2
52.39128	1.2
53.00188	1.1
53.38656	1.1
55.06968	1.1
57.03481	1.7
59.01386	67.9
61.98844	2.1
62.61019	1.1
70.01737	6.0
71.01389	13.0
73.02946	4.3
75.00888	1.5
83.01397	1.7
83.05058	1.3
84.01266	1.3
85.02959	6.5
89.02457	2.2
95.01398	2.7
98.20610	1.4
99.00895	1.9
101.02443	5.1
108.02219	2.5
109.02955	5.5
113.02470	10.3
117.03436	1.3
121.02986	3.0
133.02969	5.5
137.02470	2.2
141.07080	1.5
145.02946	3.3
161.04538	2.6
185.06154	2.0
195.04439	1.4
196.05363	1.8
209.06087	3.7
210.06828	3.0
211.04073	2.5
211.07591	4.5
213.05574	3.8
227.07317	1.6
237.05573	4.0
237.14977	2.3
239.03529	2.2
239.07111	2.5
240.04283	4.7
253.05104	4.9
254.05840	22.2
255.02962	2.5
255.06688	20.3
256.06927	1.3
268.03766	3.8
281.04611	1.4
283.06149	100.0
284.06430	5.6
343.28641	1.4
487.20395	1.6
487.25882	3.8
487.33130	3.0
488.09372	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	486.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.6
59.01114	6.2
59.01387	78.7
60.01699	6.7
61.98835	100.0
65.53307	3.0
119.27304	3.6
167.08640	4.7
169.06575	10.6
211.07639	42.6
229.80710	5.6
235.07716	8.1
239.07132	38.4
240.07446	3.3
279.06625	5.0
283.06110	90.1
284.06354	5.7
423.12979	3.5
423.18234	46.1
448.10229	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	486.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98835	100.0
62.31243	0.5
71.55360	0.8
135.04539	3.7
238.49757	0.6
277.93408	0.6
287.12927	3.2
423.18201	3.7
485.33023	1.1
486.33179	1.7
487.34439	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	486.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07106	7.2
54.28082	8.1
59.01380	17.2
61.98838	100.0
71.54583	16.0
83.04065	7.6
135.02454	8.3
136.97182	8.6
152.91681	8.5
171.00880	8.9
196.36717	9.0
225.27773	8.2
268.23074	9.8
309.14905	36.0
310.46826	9.5
313.14307	10.4
423.18301	12.1
487.17844	12.8
487.34656	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	486.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71888	1.9
59.01382	6.5
61.98838	100.0
69.40956	9.2
69.41375	5.0
69.71194	2.0
70.96432	2.1
83.05064	2.5
85.02974	1.8
86.41593	2.1
100.75845	1.7
101.51752	1.8
146.08295	1.9
176.93375	2.0
248.70282	2.0
264.72501	1.9
317.13892	2.5
336.20267	2.3
423.18161	15.8
485.33075	2.9
486.32965	7.7
487.34372	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	486.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.6
61.98837	100.0
69.32865	30.3
98.19936	6.7
101.56048	3.9
122.84846	3.4
125.37944	3.3
154.57259	3.5
378.36765	3.8
384.76059	3.6
423.18076	22.1
486.32733	5.0
487.26935	4.1
487.34604	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	486.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09476	2.1
59.01383	8.0
61.98836	100.0
62.71544	1.8
65.77117	1.8
71.55096	2.0
72.14111	2.3
90.87656	1.7
157.53596	2.1
160.84227	7.7
167.08704	3.4
169.06584	6.9
211.07651	46.8
212.07916	2.5
223.07538	2.2
235.07608	7.8
237.05492	4.3
239.07155	39.3
240.07790	3.3
243.26328	2.3
283.06140	79.0
284.06485	5.8
307.24091	2.1
339.16153	2.7
371.12762	3.7
397.40649	2.3
411.13632	2.2
423.18210	45.8
424.18582	4.6
435.05304	2.3
503.86395	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	485.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01388	20.9
69.28461	3.0
69.28892	4.8
71.01389	9.4
71.22093	0.8
73.02917	1.2
75.00871	2.6
83.01411	1.4
85.02968	8.7
89.02451	5.3
91.65546	0.8
97.09698	0.9
99.00888	1.0
99.04456	0.8
101.02477	4.5
102.10098	0.8
111.00915	1.0
113.02479	2.6
114.35987	0.9
117.03471	3.5
119.03473	1.6
120.96876	0.9
128.14911	1.0
129.02043	1.3
132.02219	2.4
133.02985	7.4
134.03757	54.8
135.04578	6.2
136.01675	1.7
137.02454	2.5
137.85831	1.0
147.03447	1.3
147.04521	9.7
148.05365	5.5
149.06094	10.3
151.03986	2.4
153.05580	1.2
158.03755	4.6
160.01680	13.1
161.02475	5.2
162.03140	1.0
163.04001	1.7
163.07675	2.0
164.04768	1.1
173.06096	4.8
174.03169	1.4
175.04016	23.1
176.04803	32.9
177.01952	6.0
177.03929	0.9
177.05499	2.1
178.02730	8.8
191.01988	2.6
191.07161	37.8
192.04277	3.3
192.07472	2.9
193.05064	61.7
194.05396	2.6
195.05167	4.3
207.06635	16.8
208.06953	1.2
217.05025	1.4
220.03769	7.8
221.08208	1.0
235.06128	100.0
236.06494	4.5
265.07162	17.8
295.08264	19.5
309.11896	21.8
310.12326	1.5
355.10184	1.6
431.74683	1.1
485.16660	66.2
486.17078	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	485.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03443	1.6
58.00583	1.2
59.01385	28.8
61.98814	1.2
69.03447	0.9
69.31802	3.2
69.32222	3.8
71.01390	21.4
71.20152	0.9
72.99316	1.8
73.02950	4.0
79.46562	0.8
79.95724	1.8
80.91683	1.6
83.01379	3.2
85.02956	6.9
87.00884	3.4
89.02460	12.6
95.01390	1.2
96.96020	51.5
97.02969	2.3
99.00879	1.7
101.02461	19.3
113.02433	6.9
116.92857	1.9
119.03504	6.5
125.02432	2.1
131.03487	2.6
143.03520	1.1
145.02953	2.0
145.07730	4.9
146.04857	1.1
159.09325	1.5
160.06454	14.7
161.04547	5.7
161.07216	65.2
162.07547	3.1
171.45360	0.8
173.10823	1.8
175.08763	17.5
179.05624	1.9
185.10806	1.6
187.08755	3.3
189.06711	100.0
190.07034	4.9
199.08881	1.1
200.16512	0.9
201.10379	7.3
202.10559	1.0
203.08301	16.0
203.11890	13.6
207.41180	0.8
217.09879	1.6
221.06754	5.4
229.09837	14.2
259.06125	3.5
277.11868	2.2
281.13998	1.0
287.05652	5.4
287.10425	2.0
305.11444	41.0
306.11716	3.5
323.12372	6.1
328.67303	0.9
374.12375	0.8
413.83807	1.0
485.17740	55.2
486.18375	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	485.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01710	1.2
71.01389	7.2
71.21552	2.1
73.02953	2.2
79.28054	0.9
83.01395	1.7
83.17670	1.0
85.02956	3.3
86.65170	0.9
89.02469	1.8
96.96005	0.9
101.02419	4.6
113.02454	3.4
137.67210	0.9
151.87503	0.9
161.04543	1.3
202.49745	0.9
253.04588	2.1
327.04971	1.4
353.19409	1.2
353.23346	1.9
484.72522	1.0
485.23691	3.5
485.30853	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11252	1.6
55.01848	1.4
55.49690	1.1
56.15987	1.1
57.19439	1.3
59.01077	1.6
59.01382	26.2
60.64499	1.2
71.01396	15.3
72.99323	2.6
73.02936	2.0
79.47466	1.4
85.02954	4.3
89.02447	9.3
91.62764	1.4
96.96016	1.6
101.02464	8.7
113.02460	6.8
117.03467	3.3
119.03523	3.6
121.02982	1.6
130.08730	1.3
132.02246	2.2
133.02943	11.6
134.02730	2.9
134.03755	60.4
135.04565	12.7
136.01668	2.6
137.02443	3.6
147.04535	11.5
148.05353	6.9
149.06116	13.3
151.04010	2.0
158.03700	3.9
160.01660	15.6
161.02483	12.5
163.03995	2.3
163.07600	2.7
173.06059	4.1
174.03235	2.0
175.02596	1.7
175.04024	28.8
176.04799	31.3
177.01917	5.4
177.05513	4.6
178.02742	9.2
179.03481	9.8
191.05513	2.8
191.07170	44.1
192.04243	4.6
192.07483	2.0
193.05078	62.5
194.05418	2.6
207.06618	15.9
219.06583	2.0
220.03735	5.4
227.24707	1.4
235.06143	100.0
236.06503	4.4
251.05588	2.3
265.07208	19.5
265.89011	1.5
281.06635	2.7
293.34515	1.3
295.08237	21.0
296.08713	1.6
309.11911	19.8
323.13519	11.2
327.05200	3.5
441.14127	1.9
485.16641	94.4
486.16940	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	485.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.4
57.03452	0.7
59.01388	3.2
61.98859	0.4
69.55056	0.4
71.01388	1.2
71.55388	0.6
73.02956	0.5
75.00893	0.3
79.95743	2.7
81.18424	0.3
81.91894	0.3
82.95425	0.4
83.01403	0.3
85.02952	3.2
89.02460	0.7
96.43390	0.4
96.96021	100.0
97.93127	0.5
101.02448	0.5
113.02460	0.4
113.92637	0.5
114.93404	0.6
119.03509	0.4
129.01886	0.6
191.01932	1.4
191.03532	2.2
191.05112	0.3
195.05098	1.2
209.03195	0.4
219.06390	0.4
249.11197	0.5
312.42291	0.4
322.04626	0.4
387.16672	1.0
406.11084	0.4
453.14224	0.3
485.10223	0.7
485.17368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28706	1.5
53.39962	1.3
55.01883	1.5
57.03450	4.1
58.00602	1.4
59.01387	100.0
61.98841	3.9
66.58930	1.5
71.01390	14.0
71.05049	2.3
71.54572	1.7
73.02959	2.6
79.95755	1.4
83.01386	7.1
83.05032	3.2
85.02965	10.9
87.00876	2.5
89.02451	3.1
95.01419	2.3
96.96044	1.8
97.02995	2.1
97.06597	3.3
99.00910	3.5
101.02464	6.4
101.03511	1.4
104.97166	1.5
111.04553	1.7
113.02467	8.2
118.09268	1.3
125.09727	2.6
143.03532	1.7
149.02486	1.5
161.04509	3.6
171.10350	2.6
177.01959	1.9
201.11307	11.6
207.06665	2.0
209.11833	17.0
213.18582	1.6
227.12961	3.2
249.14980	5.8
263.07578	1.9
281.74164	1.6
285.03888	2.0
295.84653	1.8
323.12610	1.8
327.05099	5.6
340.28314	1.7
341.27014	3.4
349.96802	1.4
353.23318	1.9
357.06161	1.6
383.20807	1.6
425.12421	6.1
447.09396	6.1
449.29156	3.1
485.31439	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	484.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80754	15.4
59.01366	20.0
61.98827	100.0
69.87234	69.6
75.03601	14.0
84.23304	16.6
111.08136	21.8
118.85452	16.2
159.34825	16.6
255.23187	26.6
485.27045	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84773	0.9
58.56614	0.8
59.01387	8.5
60.34568	0.9
61.98835	9.5
62.22012	0.9
69.03466	1.5
71.01396	9.7
71.54369	1.2
72.99295	0.8
73.02947	1.9
75.00888	1.4
79.95756	0.9
83.01394	4.1
85.02974	5.0
87.00880	3.4
88.44725	1.1
88.98806	3.3
89.02451	5.9
93.03468	14.0
96.96017	14.1
97.03001	1.4
99.00893	11.1
101.02477	4.9
101.03049	0.8
107.04964	1.2
108.02167	2.2
111.00873	1.8
111.08203	0.9
112.04050	1.4
113.02441	3.7
117.03460	6.2
119.05032	12.8
123.04507	2.5
125.02425	1.7
130.04216	2.9
131.03525	0.9
131.05031	7.7
132.05838	11.1
133.02942	2.2
133.06616	15.1
135.04553	1.3
137.02435	1.8
138.05626	2.1
143.05009	3.4
145.02948	4.2
145.06624	12.8
147.04535	30.2
148.04852	2.4
148.69734	0.9
149.02452	2.3
149.04544	2.6
149.06102	3.6
156.05811	2.2
157.06578	7.6
158.03714	2.1
159.04567	4.5
160.05325	4.7
161.04694	1.3
161.06006	7.6
163.03989	3.4
163.07628	3.7
165.04044	1.2
165.05470	1.3
166.05035	6.8
169.06572	7.4
171.04507	2.6
172.05315	1.2
173.06088	17.9
175.04013	8.4
175.07632	6.7
176.04494	1.2
177.05574	7.9
179.05721	1.0
184.06068	1.0
187.03998	1.6
187.07660	30.6
188.08008	1.8
189.05589	32.7
191.05608	1.1
191.07144	10.1
193.05035	2.5
199.07617	2.9
201.05589	34.4
202.05904	3.1
203.03529	7.4
205.03304	1.3
205.05072	14.2
217.05127	1.5
219.06635	28.0
220.06970	1.4
221.04593	20.2
222.04877	1.3
231.06656	2.5
235.06032	2.9
243.06595	2.4
261.07697	10.7
263.05618	44.3
263.08447	2.1
264.05975	3.6
269.77335	0.9
279.08783	9.3
280.09103	1.1
305.38693	1.0
323.07739	100.0
324.08151	6.5
363.10657	1.3
383.09747	4.0
443.65002	1.1
450.15793	1.1
452.91168	1.0
485.12607	2.4
485.18430	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	483.2734
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
69.65993	1.7
69.66409	1.9
78.66222	0.6
78.95908	7.8
96.96970	1.4
152.99606	16.0
171.00674	1.3
204.07904	0.7
209.71942	0.6
219.08604	0.6
227.03320	3.4
232.61790	0.6
245.04353	1.8
255.23314	100.0
256.23639	7.8
327.05075	2.5
351.00754	0.6
358.15247	0.7
447.09244	1.9
454.64401	0.6
483.27261	30.5
484.27704	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	483.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04481	0.6
59.01388	6.6
69.37036	3.0
69.37450	1.4
71.01384	2.6
72.99287	0.9
78.95915	1.0
79.95744	3.1
83.01375	0.7
85.02975	1.3
87.00903	1.5
88.98805	2.2
89.02457	2.2
95.01392	0.8
96.96024	100.0
101.00346	0.6
101.02426	1.7
101.06099	2.4
108.02180	0.8
109.02991	0.9
113.02467	1.2
139.07680	0.6
149.02344	0.6
152.01218	1.1
152.07104	0.8
195.70024	0.5
211.09653	0.7
233.10451	0.9
249.06374	0.6
335.17145	2.4
347.33844	0.6
351.20297	0.9
381.05328	0.7
483.14758	1.9
483.20837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.2
57.03444	4.1
59.01385	43.8
61.98832	4.6
65.20729	1.4
66.22366	1.5
69.18819	17.0
71.01392	35.0
72.99320	2.4
73.02948	15.4
83.01401	10.7
85.02964	17.6
87.00879	6.2
89.02447	6.3
95.01412	1.6
96.96008	6.0
99.00889	5.8
101.02455	39.5
113.02463	16.9
125.02410	2.3
130.87369	1.8
143.03529	2.7
159.03012	3.0
161.04584	10.0
163.04257	1.8
173.06059	2.9
174.06561	1.7
191.07115	2.2
203.43578	1.5
213.09184	4.4
217.08954	1.8
218.09433	1.8
228.07870	2.1
280.74390	1.6
285.04074	1.9
291.18161	100.0
292.18475	6.1
327.05115	4.4
357.13202	2.7
397.12515	2.1
423.22412	49.3
424.22842	3.8
447.09177	3.8
465.17520	13.4
483.18289	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	483.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.5
57.03459	6.9
59.01385	52.2
60.17817	3.5
61.98841	4.8
64.43913	2.7
69.67838	17.6
71.01385	50.6
72.67917	3.2
72.99346	3.1
73.02954	18.0
74.84606	2.8
75.36433	2.7
78.17416	2.8
83.01396	10.6
84.98258	3.0
85.02957	25.3
87.00891	9.8
89.02457	10.0
99.00908	8.2
101.02452	40.5
113.02451	24.0
137.02481	3.4
159.03001	4.7
161.02481	3.2
161.04521	15.5
163.04102	3.5
173.06084	5.4
192.07758	3.8
217.08868	3.3
248.40909	3.1
272.78732	3.1
291.18158	64.0
292.18491	5.4
327.05124	10.9
423.22357	100.0
424.22525	10.9
447.09305	13.9
447.16013	3.6
447.22357	6.1
465.17636	16.5
483.18250	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89474	1.5
56.96744	1.5
58.12401	1.7
59.01382	10.0
65.29660	1.6
69.64542	7.6
71.01375	7.7
72.99290	7.4
75.00864	9.3
75.02576	1.9
76.87461	1.5
83.01379	6.2
84.99277	1.9
85.01003	4.8
85.02942	2.8
87.00837	4.6
87.43198	1.5
88.98808	1.8
89.02418	4.8
90.02313	1.3
98.19865	1.9
99.00868	6.7
103.00346	4.7
105.01930	2.4
111.00853	3.7
112.98812	37.0
115.00379	2.4
117.01904	3.5
119.10338	1.6
124.98772	3.1
133.04987	2.0
142.99818	2.2
143.01537	1.8
145.01440	71.1
146.01706	3.7
149.04608	2.2
152.04935	1.5
154.99838	2.1
157.01419	1.9
160.17706	1.5
163.06067	3.2
165.03938	5.3
171.00961	4.9
185.02370	1.8
217.05214	2.3
231.03149	2.9
245.04637	1.9
263.05936	8.3
265.09073	1.8
305.06702	1.8
309.11548	3.1
335.04095	3.0
335.07776	5.1
359.04272	2.5
391.06998	12.5
393.96478	1.7
419.06146	1.7
442.42673	1.9
451.09085	20.2
483.11340	100.0
484.11731	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	483.153
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
55.45499	0.7
57.03450	1.1
59.01387	7.4
61.98829	3.2
68.49650	0.7
68.70823	0.7
71.01385	6.8
71.53381	1.0
72.99305	1.9
73.02938	2.0
75.00877	1.5
83.01395	1.2
85.01045	9.2
85.02961	4.1
85.06612	0.9
87.00883	18.2
89.02443	4.4
95.01430	0.7
96.96033	8.2
99.00893	4.9
101.02442	4.6
103.92031	0.8
105.01947	27.7
105.02663	1.5
107.89331	0.7
113.02470	5.8
115.02081	1.4
116.33302	0.7
119.03522	1.7
125.02425	1.3
127.02111	1.2
129.03702	4.1
137.06137	0.8
145.03130	2.7
147.03023	5.5
147.06514	0.7
149.04605	0.9
157.03101	1.3
165.04060	59.8
166.04427	2.0
169.03175	0.7
173.06235	2.3
174.01530	0.7
187.04126	1.2
191.03673	0.9
247.63141	0.7
309.12070	1.2
335.11624	9.7
353.09265	1.0
401.10934	1.4
405.12363	1.0
473.08487	0.8
483.15408	100.0
484.15759	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	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64585	0.5
52.28550	0.5
53.25414	0.5
55.01920	1.4
57.03508	1.5
58.00648	0.9
59.01444	29.9
60.63497	0.6
61.07034	0.6
61.98895	0.8
66.67809	0.5
68.41217	0.5
69.03522	0.8
69.27097	0.5
69.52142	4.0
71.01460	17.4
71.05080	0.9
72.99380	1.8
73.03020	2.6
75.00925	1.2
83.01479	1.7
85.02956	5.5
87.00951	1.6
88.92917	0.7
89.02455	13.5
95.01463	1.3
96.96104	0.6
99.00955	1.2
101.02461	12.7
109.03045	0.8
109.56430	0.6
113.02464	6.7
119.03519	4.9
127.07893	0.5
131.03551	1.0
135.04669	0.6
141.12936	2.4
143.03662	0.7
145.03093	1.1
149.04639	1.2
163.04066	1.0
165.05675	0.8
169.12344	11.5
169.13655	0.7
170.12776	0.6
187.13409	19.7
188.13786	1.1
254.57405	0.6
331.17825	1.2
349.18686	100.0
350.18988	6.6
389.79486	0.7
481.22778	31.8
482.23209	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	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96771	1.0
70.02859	4.1
78.95915	40.0
79.39094	0.9
88.91630	0.9
96.96970	3.2
152.99603	63.0
170.99315	1.1
171.00679	18.6
227.03291	3.3
245.04333	100.0
246.04579	3.1
253.21753	60.1
254.22107	4.2
282.11557	1.1
404.57095	1.0
481.25723	38.0
482.26062	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	483.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.3
64.25420	1.1
69.65824	6.9
96.96014	2.8
109.02921	1.4
133.02956	12.5
139.07671	1.2
141.60258	1.1
149.02472	1.5
163.00453	2.6
163.04002	1.9
175.03995	2.2
193.01442	2.1
211.04007	1.3
230.20209	1.2
241.05016	1.1
284.03275	9.7
285.04080	7.2
297.04077	19.7
298.04868	9.3
299.05566	19.7
300.06006	2.1
311.05783	2.2
327.05112	100.0
328.05411	9.1
339.05209	3.0
357.06143	24.6
358.06509	2.1
369.05911	3.2
427.58868	1.5
447.09363	78.0
448.09732	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	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64585	0.5
52.28550	0.5
53.25414	0.5
55.01920	1.4
57.03508	1.5
58.00648	0.9
59.01444	29.9
60.63497	0.6
61.07034	0.6
61.98895	0.8
66.67809	0.5
68.41217	0.5
69.03522	0.8
69.27097	0.5
69.52142	4.0
71.01460	17.4
71.05080	0.9
72.99380	1.8
73.03020	2.6
75.00925	1.2
83.01479	1.7
85.02956	5.5
87.00951	1.6
88.92917	0.7
89.02455	13.5
95.01463	1.3
96.96104	0.6
99.00955	1.2
101.02461	12.7
109.03045	0.8
109.56430	0.6
113.02464	6.7
119.03519	4.9
127.07893	0.5
131.03551	1.0
135.04669	0.6
141.12936	2.4
143.03662	0.7
145.03093	1.1
149.04639	1.2
163.04066	1.0
165.05675	0.8
169.12344	11.5
169.13655	0.7
170.12776	0.6
187.13409	19.7
188.13786	1.1
254.57405	0.6
331.17825	1.2
349.18686	100.0
350.18988	6.6
389.79486	0.7
481.22778	31.8
482.23209	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	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01386	100.0
59.33696	0.5
60.01720	0.9
61.98845	1.9
64.29034	0.5
71.01388	13.9
71.54276	0.8
72.00916	0.7
72.99328	1.5
73.02955	1.2
75.00891	0.8
78.95918	2.3
79.95754	1.3
81.03482	0.6
83.01408	1.1
85.02974	2.0
87.00890	1.8
89.02452	22.0
95.01414	0.8
96.96021	50.4
96.96920	3.0
97.03004	0.7
99.00890	0.7
101.02445	8.0
107.57008	0.5
109.02954	1.1
113.02460	7.1
119.03508	8.9
123.08182	2.3
125.02485	1.8
131.03543	1.7
135.08202	1.5
137.02490	1.3
139.04012	0.6
143.03529	2.0
147.04578	1.0
149.02420	0.7
149.04576	5.2
151.04071	2.0
155.03473	0.9
161.04575	3.3
163.04013	1.0
164.07198	3.4
165.09279	0.8
167.03546	1.4
177.20576	0.5
179.05632	7.8
193.01498	1.6
193.12415	0.7
195.06715	1.3
218.13925	1.2
223.02567	1.1
241.05164	1.6
251.02090	1.6
271.09906	1.5
319.08286	0.6
349.13419	0.6
361.05914	2.1
421.20813	1.0
481.10550	1.1
481.17416	9.5
481.23605	0.9
482.13574	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	7.6
59.01387	100.0
61.98826	13.0
71.01389	21.9
71.55369	7.7
72.99304	8.8
73.02948	11.1
85.02956	6.8
87.00877	21.1
101.02434	15.8
103.00353	8.5
113.02442	9.9
120.88272	5.9
167.03313	6.9
209.11754	8.4
217.06659	10.4
264.76025	6.3
283.02451	10.5
463.16125	9.5
480.77042	6.1
481.32571	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	481.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43103	0.6
59.01387	3.4
61.98828	1.0
68.80070	0.6
71.44295	0.6
71.55376	0.7
71.55777	0.7
73.95325	0.6
77.73499	0.6
78.95903	3.3
83.05029	1.0
101.82935	0.6
107.05030	1.6
134.03709	1.0
135.04501	2.9
142.12509	0.6
147.04483	0.7
148.05275	0.7
149.02480	0.6
149.06102	2.3
152.99582	2.4
161.02469	1.0
171.00661	1.2
174.03275	1.3
175.03995	5.2
176.04836	4.4
225.09215	42.7
226.09811	5.8
227.07149	2.1
227.10588	0.8
235.17126	1.2
237.09235	7.4
239.10841	6.8
240.11447	1.2
241.12357	1.9
245.04350	3.6
251.10783	1.5
253.21791	1.4
255.23308	6.8
256.23694	3.5
256.59473	0.7
265.08676	2.2
267.10315	6.0
269.08371	0.9
272.10638	1.7
279.13892	1.8
281.15494	7.7
285.11295	0.7
293.15381	0.9
295.17181	1.1
309.15213	1.2
309.18607	22.1
310.19089	1.6
318.12619	2.4
318.65829	0.7
352.05420	0.7
361.21866	2.6
379.22794	9.2
380.23218	1.3
405.20743	1.5
423.21820	100.0
424.22159	11.4
445.19214	0.8
480.31113	1.4
481.17734	1.6
481.22430	12.7
481.30188	4.4
482.22995	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	479.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01724	0.6
61.87369	0.5
61.98848	0.4
69.54110	2.7
87.00892	7.4
87.04520	8.5
89.02488	0.4
90.87968	0.4
96.98642	0.4
129.04974	0.4
130.99883	1.6
147.42026	0.4
175.73648	0.4
202.06381	0.5
203.07115	0.5
217.99472	0.4
218.09471	0.6
242.16365	0.5
301.59427	0.5
303.54163	0.4
353.14087	1.2
382.12860	0.7
419.11334	0.7
428.81381	0.4
447.16391	0.6
479.19400	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	481.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
56.95815	0.6
57.03454	1.6
57.23962	0.6
59.01387	12.8
61.98824	0.8
66.06585	0.6
69.36859	4.2
69.37277	1.0
71.01384	10.7
71.05006	0.7
72.99310	1.4
73.02943	3.6
75.00864	2.8
83.01395	0.7
84.54162	0.6
85.01038	9.2
85.02965	3.6
87.00875	2.0
87.04498	0.7
89.02456	25.4
93.12176	0.7
95.01379	1.4
99.00887	0.9
101.02453	5.9
103.04008	1.8
107.08654	0.9
109.02975	0.7
113.02461	6.8
113.54165	0.6
115.02086	2.3
119.03481	1.7
119.04997	0.6
125.02454	1.8
127.02086	0.9
131.03511	5.1
137.02469	1.8
139.07646	0.7
143.05263	4.2
145.03116	3.3
149.04570	46.0
150.04930	1.0
151.00229	0.8
157.03200	3.2
169.08675	1.2
175.04221	1.5
187.04114	1.6
187.07806	2.3
187.09645	0.9
202.03731	1.0
213.05682	0.6
217.05289	0.8
231.06903	0.7
237.05592	1.5
245.04732	0.9
252.07913	1.1
259.06268	1.2
268.07523	1.5
283.09955	2.0
301.92761	0.7
319.08203	1.8
330.34692	0.6
337.09537	1.9
349.12900	10.3
400.46521	0.7
419.17365	0.7
481.17441	100.0
482.17963	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	481.1736
Annotation	6-O-(4-Methoxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
57.03445	1.0
58.99210	0.4
59.01115	0.5
59.01391	5.6
61.01020	0.5
68.64351	0.5
70.85186	1.0
71.01386	4.9
72.41393	0.4
73.02954	3.8
73.47202	0.4
75.00880	6.1
83.01407	0.7
85.01035	7.1
85.02959	3.5
85.44765	0.4
87.00874	1.1
87.04504	0.6
89.02454	19.4
90.02796	0.4
93.03462	0.5
95.01424	0.8
99.08151	0.9
101.02455	3.6
103.03989	1.5
113.00568	0.7
113.02451	3.7
115.02131	2.2
115.02818	0.5
119.05036	0.8
125.02462	0.9
125.73690	0.5
127.02090	1.2
127.07614	0.4
131.03510	5.0
143.05225	4.3
145.03148	1.9
149.04568	42.4
150.04929	2.1
157.03157	3.6
161.08223	0.8
163.04033	0.7
169.06819	0.8
169.08736	1.0
175.04185	1.2
187.04184	1.5
187.07800	1.5
205.05331	0.6
240.11191	0.5
245.04707	1.1
252.33058	0.5
259.06317	0.7
319.08237	1.0
331.11975	0.7
337.09485	1.9
349.13113	8.5
419.17670	0.6
481.17416	100.0
482.17807	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	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54055	1.0
55.01861	1.2
57.03443	1.7
58.00595	1.6
59.01387	52.7
59.01672	1.6
69.03432	1.3
70.08508	0.8
71.01385	30.5
71.55178	1.4
72.01685	1.0
72.99260	3.3
73.02951	11.5
75.00848	1.9
77.93567	1.0
83.01348	2.9
83.05001	0.9
84.03634	0.9
85.02959	6.8
87.00867	2.1
88.98777	2.1
89.02456	27.2
92.48561	0.9
95.01353	2.2
97.02927	1.1
99.00854	2.3
101.02453	19.5
109.02852	1.3
113.02463	9.0
119.03532	7.2
123.04518	1.1
124.01631	1.2
125.02414	1.4
129.01866	1.3
131.03410	2.8
137.09731	1.5
139.03992	1.0
149.04482	4.1
149.05605	0.9
151.00285	3.0
151.03938	0.8
152.01074	2.0
155.10808	17.8
156.11052	1.2
160.01561	1.4
161.04428	0.9
167.10812	17.8
169.12364	6.8
175.03951	1.3
178.99805	1.6
179.03476	1.3
185.08177	1.2
185.11830	7.3
199.09756	8.9
243.12183	1.3
265.85806	1.0
284.03159	1.7
299.05359	2.8
299.18570	1.2
317.19443	1.4
331.13541	2.7
347.17111	100.0
348.17487	6.4
348.20956	1.4
361.22211	1.1
417.90823	1.1
440.39401	1.1
443.15018	1.4
479.11340	4.1
479.20853	35.0
480.21149	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18159	0.8
53.10528	0.9
55.01884	1.1
57.03473	2.2
58.00591	1.8
59.01387	47.8
60.01721	1.1
62.13782	0.8
69.22094	7.5
69.22501	2.4
71.01012	1.6
71.01390	27.7
71.05024	0.8
72.99312	3.6
73.02952	9.1
75.00890	1.5
82.87632	0.9
83.01398	2.6
83.05042	1.2
85.02962	7.1
87.00890	2.4
88.98806	1.6
89.02456	22.6
95.01389	2.2
99.00909	2.4
101.02460	17.5
107.01376	1.0
113.02467	9.1
119.03532	7.7
121.02953	1.3
125.02461	2.0
129.01956	0.9
131.03505	2.2
137.09698	1.5
141.09245	1.2
149.04544	5.2
151.00409	2.8
152.01164	2.2
155.10794	17.1
167.10789	17.4
169.12331	5.5
175.04044	2.2
178.99899	1.7
179.03532	1.5
185.11833	6.4
199.09784	10.3
205.58195	0.8
223.52032	1.0
225.11330	1.6
231.71547	1.2
243.12454	1.0
284.03183	1.4
299.05667	4.3
317.19724	1.3
331.13943	2.3
332.50385	1.1
339.02106	1.0
347.17117	100.0
348.17477	7.5
443.15527	1.3
479.11655	3.9
479.20892	28.4
480.21637	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2076
Annotation	N-Methylstaurosporine
Peak:m/z	Relative Intensity
54.33508	0.6
55.63646	0.6
59.01372	1.8
59.45292	0.6
64.23550	0.6
71.55315	0.9
71.76799	0.6
78.95899	1.2
89.03963	0.7
96.96001	0.7
99.99811	0.6
121.02950	2.6
123.00885	0.7
123.04533	0.6
130.04265	1.1
133.02940	1.8
136.01634	1.1
138.03314	0.6
140.81810	0.7
143.05040	0.8
145.06546	1.3
149.02409	2.5
153.01917	0.6
157.06578	1.9
159.04556	3.4
159.08189	1.3
161.02454	2.2
162.03081	0.9
165.01892	0.9
167.80836	0.7
173.06081	1.2
175.04025	0.9
175.07729	0.9
176.01170	1.0
177.01942	6.3
186.95659	0.8
187.04016	3.5
191.03513	2.4
192.04314	1.5
201.05603	5.4
202.06296	1.8
203.07138	1.8
211.10905	0.6
211.13396	1.8
217.17705	0.7
219.03275	0.6
227.14288	0.7
257.08145	1.0
263.05551	0.7
271.13461	12.0
271.16391	0.9
272.13641	0.8
289.14441	4.3
377.10239	2.3
389.16537	1.3
395.11401	7.1
449.16257	3.7
461.19785	0.7
463.17429	1.1
464.18625	1.3
479.20773	100.0
480.21085	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	479.2079
Annotation	N-Methylstaurosporine
Peak:m/z	Relative Intensity
51.93966	0.7
59.01379	1.8
61.98821	0.8
69.51283	6.0
74.25771	0.8
96.96037	1.1
109.02928	1.0
109.71519	0.8
132.68517	0.9
133.02957	2.6
135.04506	0.8
149.02451	1.9
161.02470	0.9
172.08871	0.9
177.01927	7.3
178.57608	0.8
191.03474	1.2
192.04257	1.1
193.01366	1.3
193.85948	0.8
201.05553	1.1
211.13393	3.0
216.07932	0.9
225.09196	0.7
227.07248	1.4
227.10680	2.0
227.14445	3.3
229.08768	1.1
255.10297	1.0
269.11862	0.9
271.13406	22.9
272.13730	1.5
289.14493	8.6
301.82703	0.9
447.18259	1.3
449.15973	6.3
450.16333	1.1
463.17697	1.1
464.18515	2.9
479.20761	100.0
480.02109	1.2
480.21112	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	479.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.7
59.28152	1.9
61.98812	1.9
66.71906	2.4
95.82465	1.8
96.39405	1.9
98.20683	5.4
103.85203	1.8
107.05077	2.1
119.05035	2.8
133.06613	6.0
135.04530	2.6
149.06067	4.8
157.06583	3.8
159.04532	22.5
161.06139	2.3
171.08130	3.1
173.09787	7.8
183.13969	3.1
185.09741	13.0
187.07675	3.0
201.09218	4.1
211.13396	53.1
213.09167	2.1
217.08650	2.5
223.07695	2.6
224.08463	3.7
226.09853	2.3
229.08699	20.0
237.09142	2.8
239.07214	3.5
239.10809	2.3
251.10785	2.8
257.08215	5.7
261.12872	3.1
265.08719	3.9
275.14438	5.5
277.08633	3.0
280.07269	2.3
291.13806	2.5
319.13373	9.4
319.20728	31.4
330.14932	3.3
345.22256	10.5
361.21600	4.9
363.23315	4.8
373.21826	23.6
374.22208	2.6
389.21243	100.0
390.21741	9.6
391.22867	3.9
407.22061	3.4
417.20718	97.1
418.21042	8.5
435.21848	24.0
436.22314	2.9
450.59442	2.2
461.19724	89.1
462.20221	14.9
479.20871	5.9
489.11871	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	479.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.5
59.01387	22.7
60.76962	1.1
61.98831	7.4
63.23217	1.1
71.01384	9.3
71.55701	1.4
72.99321	11.7
73.02956	4.6
75.00887	12.3
78.19640	1.1
78.95922	1.1
81.03474	1.1
83.01419	1.5
85.02961	3.6
85.47379	0.9
87.00871	6.5
89.02445	4.1
90.94407	1.1
99.00882	2.5
101.02465	5.8
103.00389	10.2
107.05031	1.0
109.03001	2.8
113.02447	3.0
114.02931	1.3
119.03519	1.4
121.02965	1.6
122.03783	2.0
123.04537	2.3
125.02457	32.6
126.02813	2.1
133.05043	1.1
137.02461	2.6
143.05063	5.2
146.03728	2.7
146.99356	2.0
149.02443	2.0
150.03241	1.2
151.04005	1.5
158.03748	2.4
159.04538	2.7
161.02545	1.5
161.04564	2.3
162.03334	1.6
163.04001	3.2
165.05556	3.4
165.12805	1.1
172.05220	1.8
173.02498	2.1
173.06038	1.9
174.03241	3.7
174.06923	1.6
175.04001	3.0
175.07698	1.8
175.45323	1.1
176.01201	1.8
177.01999	1.8
177.05571	1.4
179.03528	1.5
181.05116	1.5
185.06075	1.8
185.11911	1.5
186.06892	1.8
187.03957	2.1
187.07642	2.3
188.04839	2.5
189.01907	2.3
189.05554	3.4
190.02776	1.6
191.03542	9.3
197.11790	1.4
199.03947	1.2
200.04807	2.4
201.05551	2.1
202.02707	3.2
202.06229	1.2
203.03484	2.6
203.07181	3.1
213.05530	2.1
213.09241	1.3
215.07108	4.4
217.08720	3.1
223.04219	2.2
225.05556	2.0
229.08765	1.9
231.06587	2.5
231.10094	1.4
232.07405	3.4
233.08240	1.6
234.45323	1.0
245.08318	1.2
249.24207	1.2
253.05460	14.3
257.08130	1.5
260.96063	1.2
276.09933	1.7
281.04578	100.0
282.04828	6.4
285.14542	1.3
287.12845	1.3
299.09290	1.3
301.14462	1.1
313.14499	3.2
317.06577	5.8
317.09900	1.2
317.14182	1.6
329.14136	3.1
331.24838	1.9
343.15540	2.2
347.20441	1.5
347.24329	3.9
355.15659	1.6
370.70166	1.2
371.15100	2.8
373.16452	3.6
384.08994	1.2
389.16074	1.5
391.17865	1.7
417.15475	4.2
419.26358	2.1
435.16623	2.9
461.14581	3.4
479.15756	34.2
479.24829	3.7
479.31946	9.4
480.15976	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	478.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01157	0.6
61.98828	4.2
69.49874	3.9
72.17156	0.5
78.95918	7.0
79.54703	0.6
107.05021	3.9
119.05025	1.2
135.04536	9.8
148.05183	0.7
149.02483	0.7
152.99585	1.4
157.06647	1.4
159.08191	1.3
171.00661	2.6
177.12788	2.0
182.83691	0.6
185.09790	0.8
189.09148	1.8
195.08154	0.7
213.09245	0.9
215.07152	1.1
224.08350	0.5
225.09207	7.2
226.09967	5.5
227.10670	1.3
237.09221	1.4
239.10797	0.9
251.07230	1.0
251.20369	1.4
261.12903	2.0
263.72351	0.7
269.08234	0.9
279.13882	1.0
291.10382	0.6
305.11856	1.3
305.19141	6.2
331.20605	3.1
349.21722	24.7
350.22128	2.4
375.19666	36.3
376.20099	4.0
393.20734	100.0
394.21021	10.8
396.21344	0.9
460.25958	0.7
478.18835	5.1
478.29224	5.3
479.28494	2.4
502.03638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.9
61.51966	0.3
61.98822	0.3
70.60667	0.3
71.01391	1.2
71.35310	0.6
73.02971	0.3
79.95740	2.9
82.66768	0.3
86.36991	0.3
87.00908	0.4
89.02456	1.1
96.96021	100.0
101.02461	0.7
102.07186	0.3
112.04047	0.8
113.02474	0.4
114.66764	0.3
124.04048	0.7
137.11473	0.3
142.40625	0.3
146.08238	0.7
148.04059	0.8
149.04543	0.4
166.05113	1.1
184.04671	0.3
184.06059	1.5
226.07275	0.3
228.10359	0.6
241.08653	0.3
256.08658	0.3
269.13022	0.4
271.10950	2.1
315.09958	1.5
371.12369	0.6
380.15515	1.5
418.10486	1.2
479.16913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61786	0.4
57.03451	0.8
59.01384	17.8
59.91534	0.4
61.98827	1.7
71.01389	9.3
72.99319	1.3
73.02956	1.3
75.00874	1.4
83.01421	0.6
83.05019	0.6
84.04565	2.2
85.02970	1.6
87.00875	1.0
89.02459	4.2
94.02993	1.0
96.96033	3.4
97.01714	1.1
97.02922	0.5
97.45380	0.5
99.00867	0.7
99.04538	0.6
101.02470	2.5
101.79463	0.4
109.02952	0.4
109.06656	0.5
110.02479	1.0
112.04059	28.9
113.02486	3.2
113.04396	0.6
113.06113	0.4
115.00394	0.5
115.04012	1.6
116.92880	0.5
119.03498	0.9
121.12738	0.4
122.06175	3.6
123.03252	0.9
123.04582	0.6
124.04053	24.0
125.02462	0.5
125.04413	0.7
131.03528	2.4
136.04054	1.5
138.05627	6.4
139.07710	0.5
140.07178	10.7
148.04045	1.2
149.04572	0.8
161.04547	1.5
162.05630	1.6
164.03569	2.1
166.05122	3.0
173.04529	0.5
178.01161	0.4
179.05641	1.2
183.03683	0.4
184.06161	100.0
185.06522	3.4
198.05011	0.5
220.06110	1.0
226.07162	0.5
228.10217	0.6
271.10934	1.9
273.08017	0.5
293.08768	2.1
297.08780	0.5
299.11414	1.0
311.10147	0.6
312.61356	0.4
313.11795	0.5
315.09888	2.3
327.13705	0.5
371.12476	0.9
389.13364	0.8
419.19266	0.5
461.16064	0.4
463.52872	0.5
478.15689	2.8
479.17020	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	477.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01723	1.3
61.98840	0.6
62.53264	0.3
71.01393	3.8
71.55467	0.5
73.02969	1.2
75.00903	1.0
77.73506	0.4
83.01404	0.4
85.02956	1.4
89.02470	1.4
93.03471	0.5
95.01410	0.7
97.06569	0.7
99.04550	0.5
101.02460	2.6
113.02475	1.9
121.02958	0.4
161.04622	1.8
163.04039	0.5
172.66946	0.4
178.06453	0.5
193.08783	0.9
211.07629	0.6
212.08517	3.1
227.10789	5.3
227.12851	0.7
228.11201	0.6
255.03023	0.4
255.10413	0.7
271.09781	6.5
272.10190	0.7
283.02472	0.4
284.03110	0.5
285.11328	0.9
297.04181	1.0
298.04971	1.5
313.11044	0.6
315.08832	0.9
345.22812	0.7
375.27859	0.4
417.25003	6.3
418.25601	0.7
461.23788	0.4
477.14301	2.7
477.20782	0.5
477.23492	0.4
477.31531	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	477.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47036	0.6
55.01888	0.9
55.26186	0.6
57.03455	1.4
59.01384	100.0
60.01723	1.1
61.98842	3.6
64.63122	0.8
65.96007	0.7
71.01385	12.4
71.40504	0.6
71.64913	0.6
72.99329	1.1
73.02950	3.9
75.00877	7.0
83.01407	3.4
85.02959	4.4
87.00907	0.8
87.04535	0.8
89.02444	2.9
93.03465	1.4
95.01438	0.6
97.02983	0.6
99.00931	2.2
101.02441	6.3
107.01420	2.1
108.01743	0.8
109.02979	1.1
109.14086	0.5
113.02473	6.9
119.03522	1.1
119.05032	7.6
120.05340	3.4
121.05641	0.9
125.02449	1.0
134.03734	0.6
135.04539	0.8
137.02545	0.6
149.02321	0.6
150.05672	0.6
151.00391	5.6
151.11363	0.8
152.00737	3.6
153.00861	2.8
158.67740	0.6
161.02458	0.9
161.04588	7.2
164.92513	0.6
171.10248	0.8
177.01901	1.0
183.14015	0.9
190.02530	0.8
201.09337	0.8
209.11745	0.9
213.09357	0.7
213.11369	2.2
217.04973	0.7
227.12967	2.5
235.17029	0.7
237.75473	0.7
249.06139	0.9
255.06685	1.6
271.03348	1.0
271.06189	8.9
271.18835	0.8
272.06522	8.5
273.06702	13.0
285.08002	0.7
291.08737	1.1
292.09537	0.9
315.08209	1.4
329.22855	0.6
345.22937	3.6
417.24985	18.3
418.25510	1.8
435.25623	1.0
477.13898	2.8
477.19913	3.4
477.31781	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	477.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01723	1.3
61.98840	0.6
62.53264	0.3
71.01393	3.8
71.55467	0.5
73.02969	1.2
75.00903	1.0
77.73506	0.4
83.01404	0.4
85.02956	1.4
89.02470	1.4
93.03471	0.5
95.01410	0.7
97.06569	0.7
99.04550	0.5
101.02460	2.6
113.02475	1.9
121.02958	0.4
161.04622	1.8
163.04039	0.5
172.66946	0.4
178.06453	0.5
193.08783	0.9
211.07629	0.6
212.08517	3.1
227.10789	5.3
227.12851	0.7
228.11201	0.6
255.03023	0.4
255.10413	0.7
271.09781	6.5
272.10190	0.7
283.02472	0.4
284.03110	0.5
285.11328	0.9
297.04181	1.0
298.04971	1.5
313.11044	0.6
315.08832	0.9
345.22812	0.7
375.27859	0.4
417.25003	6.3
418.25601	0.7
461.23788	0.4
477.14301	2.7
477.20782	0.5
477.23492	0.4
477.31531	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	477.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47036	0.6
55.01888	0.9
55.26186	0.6
57.03455	1.4
59.01384	100.0
60.01723	1.1
61.98842	3.6
64.63122	0.8
65.96007	0.7
71.01385	12.4
71.40504	0.6
71.64913	0.6
72.99329	1.1
73.02950	3.9
75.00877	7.0
83.01407	3.4
85.02959	4.4
87.00907	0.8
87.04535	0.8
89.02444	2.9
93.03465	1.4
95.01438	0.6
97.02983	0.6
99.00931	2.2
101.02441	6.3
107.01420	2.1
108.01743	0.8
109.02979	1.1
109.14086	0.5
113.02473	6.9
119.03522	1.1
119.05032	7.6
120.05340	3.4
121.05641	0.9
125.02449	1.0
134.03734	0.6
135.04539	0.8
137.02545	0.6
149.02321	0.6
150.05672	0.6
151.00391	5.6
151.11363	0.8
152.00737	3.6
153.00861	2.8
158.67740	0.6
161.02458	0.9
161.04588	7.2
164.92513	0.6
171.10248	0.8
177.01901	1.0
183.14015	0.9
190.02530	0.8
201.09337	0.8
209.11745	0.9
213.09357	0.7
213.11369	2.2
217.04973	0.7
227.12967	2.5
235.17029	0.7
237.75473	0.7
249.06139	0.9
255.06685	1.6
271.03348	1.0
271.06189	8.9
271.18835	0.8
272.06522	8.5
273.06702	13.0
285.08002	0.7
291.08737	1.1
292.09537	0.9
315.08209	1.4
329.22855	0.6
345.22937	3.6
417.24985	18.3
418.25510	1.8
435.25623	1.0
477.13898	2.8
477.19913	3.4
477.31781	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	477.271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42590	0.3
55.01885	0.5
57.03453	1.0
59.01385	100.0
60.01734	1.2
61.01791	0.4
61.98830	0.5
71.01386	7.8
72.99333	0.7
73.02966	2.4
75.00896	0.7
83.01405	1.1
85.02956	3.2
87.00883	1.3
89.02435	3.1
90.47047	0.3
95.01405	0.5
99.00898	0.9
101.02454	4.3
109.02950	0.5
109.06605	0.6
113.02467	3.8
119.03529	1.2
125.02498	0.6
149.02473	0.3
157.08661	0.5
159.02986	0.7
161.04582	5.9
163.11436	0.4
197.11880	2.5
209.11928	0.6
221.62666	0.5
229.05153	0.9
255.06769	0.8
285.17017	0.5
299.02032	0.5
315.05197	0.6
315.08533	0.4
345.11267	0.6
345.15659	0.8
417.25021	8.9
418.25458	0.6
433.20935	0.5
461.23889	0.6
477.19171	3.0
477.27567	1.8
478.21075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66570	0.4
57.03457	1.4
58.30419	0.4
59.01385	100.0
60.01727	0.8
69.35144	1.8
69.35568	1.7
71.01389	5.0
73.02965	1.4
75.00886	1.2
77.67928	0.5
81.21215	0.4
83.01414	1.0
83.05035	0.6
85.02962	2.2
87.00900	0.9
89.02468	1.8
95.01410	0.5
99.00885	0.9
99.04574	1.3
101.02453	3.4
112.53764	0.4
113.02437	2.4
119.03534	0.6
121.02955	0.5
122.03741	0.9
143.03568	0.5
161.04544	2.1
179.05705	0.4
183.13971	1.2
258.09067	0.4
267.07245	0.6
273.08337	0.5
273.11389	2.9
298.04840	0.8
300.05167	0.5
329.23007	0.5
345.26590	0.5
417.24805	4.0
435.25958	0.5
477.20184	1.0
477.31201	4.1
478.23486	3.1
478.29657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45459	0.8
57.03456	1.8
59.01388	4.2
61.98815	0.8
63.02389	1.0
71.73921	0.9
82.43616	0.8
88.46764	0.8
91.01909	7.5
96.95986	0.9
103.59930	0.8
107.05040	0.9
109.02953	1.4
121.02923	1.0
126.18017	0.8
132.82845	0.9
145.06635	2.7
148.01704	0.9
162.12874	0.8
167.03522	3.3
169.06566	5.6
171.04510	2.4
174.03111	1.2
175.04012	6.4
202.02760	2.3
203.03540	16.0
211.07693	1.3
225.09329	1.1
234.01750	1.1
239.07172	10.9
240.07462	1.3
245.19263	1.9
255.06729	3.8
257.08292	3.4
257.71387	0.8
263.20233	1.7
273.07687	16.2
287.20126	5.1
288.20581	0.9
305.21078	1.5
325.72678	0.8
327.92297	0.8
407.25916	2.3
433.27707	1.1
477.26590	100.0
478.26889	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	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
59.01385	100.0
60.01721	1.6
61.98824	0.8
67.02243	0.5
69.36587	1.9
69.37003	2.3
71.01392	9.0
71.77995	0.5
72.97569	0.5
72.99332	1.5
73.02952	2.1
75.00876	1.4
81.03516	0.7
83.01392	1.4
83.05036	0.9
85.02947	4.1
87.00904	1.6
88.98826	1.4
89.02451	4.8
93.18925	0.6
94.31378	0.5
95.01432	0.7
96.96045	0.8
99.00893	1.3
99.04568	0.6
101.02470	6.6
109.02953	1.6
110.02505	0.6
113.02467	5.1
116.22123	0.5
119.03532	1.6
120.77071	0.6
121.02956	0.7
123.04552	0.7
125.02506	0.9
131.03534	0.8
139.07704	2.3
142.03339	0.7
143.03546	0.7
145.02986	0.7
147.03291	1.2
149.02502	0.9
149.04552	1.5
159.03073	0.8
160.04086	3.0
161.04576	5.9
183.06636	0.8
183.10344	0.7
219.05406	1.9
227.08295	0.7
227.12903	0.7
241.06248	0.8
243.11530	0.6
249.06097	0.7
255.07257	0.7
255.11342	0.8
257.09308	2.2
269.09518	0.9
273.07703	0.7
285.09344	0.7
285.12555	1.2
297.08698	0.6
297.17142	1.6
313.15881	0.6
315.05249	0.7
315.09915	1.0
345.15662	0.9
357.11087	2.1
369.11005	0.7
387.12030	11.7
388.12558	1.1
399.12140	0.7
417.13089	1.1
417.25009	9.3
418.26086	0.8
439.21881	1.0
441.13092	0.9
458.35461	0.5
459.14227	0.8
477.14267	4.8
477.19077	1.2
477.25482	1.9
478.14169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70397	1.3
55.01873	2.5
57.03451	2.1
59.01386	100.0
60.01710	1.3
61.98830	3.0
65.45960	1.3
65.73071	1.2
69.26831	9.1
71.01390	17.9
72.99314	2.5
73.02945	5.8
75.00884	8.0
83.01395	4.5
85.02956	8.8
87.00887	1.7
89.02467	5.9
93.03470	2.4
93.44411	1.3
95.01375	1.6
99.00851	2.3
101.02451	11.8
107.01420	2.3
109.02953	1.8
113.02471	7.7
119.03532	3.4
119.05011	5.7
120.05352	2.5
123.04485	1.7
124.01623	2.4
125.02464	2.9
137.02409	1.7
139.03999	1.8
151.00397	7.8
152.00742	3.3
153.00830	2.3
155.82387	1.2
161.04543	8.6
171.15398	1.3
179.54640	1.2
191.84547	1.5
211.04128	1.5
213.11345	4.3
271.06198	8.8
271.19064	1.4
272.06509	8.0
273.06726	12.6
300.05640	1.8
314.07474	2.3
315.08255	4.6
345.15366	2.5
345.22739	10.2
359.24142	1.8
373.22348	3.2
391.23306	3.0
417.25110	16.3
418.25235	2.4
444.29593	1.8
477.14343	7.1
477.31482	8.7
478.31024	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	477.2648
Annotation	bipinnatone A
Peak:m/z	Relative Intensity
59.01377	2.4
61.98801	0.9
65.03973	5.0
67.01876	1.5
107.01393	11.2
108.02187	6.7
109.02959	51.9
110.03278	1.7
110.48344	0.9
112.73603	0.8
121.02982	1.5
123.00913	2.7
123.04494	1.7
124.01666	1.0
136.01674	21.2
137.02463	13.6
148.01678	4.8
149.02477	2.6
162.03227	11.9
165.01936	19.4
166.02608	3.4
167.03517	9.8
183.13559	0.8
190.30089	0.9
225.09387	1.3
230.33755	0.9
254.05803	1.8
273.07492	1.3
437.03006	0.9
477.26486	100.0
478.26840	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	477.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
56.65408	1.4
57.03443	2.0
59.01385	100.0
61.98823	3.9
62.14862	1.4
66.42696	1.3
67.90822	1.4
71.01387	22.0
72.99312	3.9
73.02949	7.7
75.00880	10.2
78.72244	1.3
78.87077	1.4
83.01393	3.5
85.02952	9.5
89.02455	8.1
93.03473	1.5
95.01394	2.1
98.19831	2.3
99.00879	2.1
99.04478	1.3
101.02450	15.2
102.83047	1.6
104.70384	1.3
107.01385	2.6
109.02953	1.8
111.89139	1.5
113.02473	10.5
119.03502	3.2
119.04994	6.0
120.05353	3.0
124.01653	6.4
125.02470	2.5
136.11154	1.7
139.03946	2.9
151.00385	7.1
151.11308	2.7
152.00722	1.8
152.07198	1.7
161.02528	1.7
161.04599	9.8
203.03403	2.4
212.04736	1.8
213.11301	6.0
237.07687	2.3
255.06664	4.3
271.02744	1.5
271.06076	7.6
272.06418	5.5
273.06711	9.2
285.03897	2.7
299.04874	1.3
314.07349	2.7
315.08444	5.0
345.15579	2.2
345.22690	9.2
352.92944	1.9
373.22208	4.3
391.23270	2.8
417.24924	18.9
418.25455	2.5
446.42010	1.8
477.14203	8.9
477.31354	16.0
478.31439	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	477.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.7
59.01387	47.6
60.14560	1.3
60.42359	1.2
61.98815	1.3
69.03467	2.7
71.01389	25.2
71.54376	1.3
72.99314	6.7
73.02936	5.0
75.00887	17.6
81.88690	1.3
83.01370	1.5
85.02964	21.7
87.00877	7.8
89.02437	7.7
91.15668	1.4
93.03474	1.6
95.01375	3.7
99.00906	11.5
101.02439	5.6
103.00354	3.6
111.00854	1.9
111.08142	4.3
113.02457	20.2
115.00391	2.5
117.01928	2.3
119.03487	2.0
131.03491	1.8
155.22313	1.5
157.01353	2.0
161.04520	1.8
164.54376	1.4
165.12860	33.9
175.02457	3.7
183.13925	42.3
184.14194	1.9
198.40961	1.4
209.11710	2.9
213.09096	1.9
227.10838	2.9
227.12819	9.7
249.06149	15.3
255.06775	1.6
256.21527	1.4
267.07236	28.0
268.07419	1.9
273.07553	3.3
273.20599	1.4
291.08905	1.7
301.16470	3.9
315.13922	1.4
329.22684	1.9
345.15128	1.7
345.22748	1.8
349.03348	1.3
417.24817	3.6
459.18405	2.9
477.14117	6.6
477.19519	100.0
477.74615	7.9
478.20047	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.6
56.18406	0.7
56.18690	0.7
57.03452	2.6
59.01386	100.0
61.98835	6.1
69.03487	1.1
69.31908	1.0
69.32315	4.8
71.01392	13.3
72.99323	2.8
73.02955	2.7
75.00880	9.9
80.19926	0.8
83.01403	1.7
85.02961	14.2
86.03250	0.7
87.00876	4.3
89.02464	4.1
92.10051	0.6
94.36838	0.6
95.01395	2.9
97.21932	0.7
99.00896	4.8
99.04562	0.8
101.02460	3.8
102.32213	0.7
103.00368	0.9
109.02931	0.8
109.06686	0.7
113.02465	11.7
114.66101	0.8
115.00415	1.3
128.79395	0.6
129.01974	1.0
131.03546	0.8
151.04042	1.7
157.01363	0.8
161.04599	1.6
165.12823	5.5
175.02538	1.7
175.03969	1.0
179.03500	0.8
183.13921	43.6
184.14258	1.9
205.07149	1.2
209.11826	1.7
211.03877	0.8
227.12939	4.6
239.03714	0.7
249.06148	3.0
267.07159	6.1
273.07697	2.6
283.02408	0.9
284.03348	1.0
285.04004	1.0
299.05414	0.9
301.16739	3.3
302.56616	1.1
315.08496	2.1
345.22821	2.7
415.19766	4.0
417.24997	1.9
459.18640	2.7
477.19797	60.3
477.30060	3.9
478.20090	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	477.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.3
61.98823	4.0
69.22575	21.0
71.79276	2.2
75.03429	2.3
79.32612	2.1
83.05043	3.1
96.64160	2.8
96.96024	3.0
98.19880	4.4
113.63849	2.2
161.06090	8.2
175.03978	2.5
190.02734	2.4
217.08716	8.7
223.07811	3.1
225.09221	3.3
235.07635	3.9
237.09262	8.5
241.08844	3.3
248.08392	3.5
249.05542	2.4
249.09265	3.5
263.07153	13.3
265.08655	2.8
274.09363	2.3
275.07224	3.1
277.08813	5.2
278.05936	3.7
278.09650	4.4
281.08228	6.3
291.06708	26.8
299.10779	5.0
301.12433	3.7
303.06927	3.6
303.10260	14.3
304.07419	5.0
317.11798	22.2
318.12479	10.8
327.10385	4.5
346.11935	15.6
361.21680	4.0
371.20129	7.4
384.60559	2.4
387.19690	35.3
388.19879	4.6
389.21362	3.1
405.20737	89.1
406.21063	11.4
415.19153	100.0
416.19373	11.8
433.20111	28.1
459.17960	6.9
477.19257	13.6
477.26065	3.7
478.19650	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.9
57.03448	4.8
59.01385	46.3
60.01708	0.9
60.81726	0.8
61.98830	1.0
68.99811	1.3
69.03464	1.2
70.09448	3.1
71.01382	19.2
72.99318	5.1
73.02953	4.3
75.00883	14.7
83.01411	1.1
83.05023	1.8
85.02959	18.4
86.03204	0.8
87.00898	5.8
89.02446	4.5
95.01395	3.3
97.06585	1.1
99.00893	10.0
101.02438	3.3
103.00375	1.6
109.02956	1.3
111.08162	2.1
112.01632	1.0
113.02462	19.0
115.00337	1.3
117.01952	1.7
119.55737	1.0
129.01944	2.4
137.02563	1.0
157.01427	1.8
161.04446	1.3
165.12845	17.8
175.02463	2.9
183.13911	64.2
184.14299	3.0
199.13437	1.2
209.11795	2.3
227.12871	7.0
228.04172	0.9
239.03497	1.2
240.04243	1.6
240.73708	1.0
242.09708	0.8
249.06126	12.6
255.02931	2.0
267.07233	28.4
268.07507	0.9
273.20651	1.7
283.02551	2.7
284.03275	5.6
285.04053	3.2
298.04758	3.2
299.05582	3.8
301.16534	4.7
315.05063	1.1
345.22760	1.2
415.19907	4.8
417.24799	3.1
435.25964	3.2
459.18655	4.1
477.12131	9.1
477.19748	100.0
477.26855	6.8
478.12827	1.6
478.19968	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	477.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08771	0.8
50.59307	0.9
54.69684	0.9
55.90882	0.9
59.01372	1.8
66.52352	1.0
69.73915	0.9
70.18974	0.9
71.01395	6.0
71.53316	1.5
72.26285	0.8
73.02958	5.3
75.00867	1.3
83.77896	0.9
87.00893	2.2
89.01941	1.8
89.02451	25.0
89.81721	1.2
131.03497	6.4
135.02979	3.4
140.04536	1.1
149.04567	100.0
150.04909	2.1
163.06058	1.2
191.46675	1.0
390.10471	1.0
414.80783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.0
59.01391	14.8
61.98840	3.3
66.90703	2.1
69.47145	15.6
78.95898	8.4
80.96308	2.5
96.96027	6.5
98.20711	5.1
101.78552	2.2
119.05009	2.2
152.99612	2.2
159.04501	5.4
161.06096	4.8
166.01784	2.7
175.03902	2.4
201.09146	2.8
217.08672	9.0
221.05988	2.3
225.09088	2.9
235.07561	4.5
237.09241	6.2
241.08722	4.2
245.07852	2.8
247.07605	3.2
248.08311	2.4
249.09312	5.4
250.06187	2.4
251.10852	2.2
259.11163	4.1
263.07092	13.7
264.07635	4.9
265.08707	3.9
273.09448	2.2
275.07239	6.2
275.10565	3.0
277.08792	4.3
278.06088	5.3
278.09396	4.7
281.08267	7.0
283.17221	3.1
291.06665	30.4
292.07040	3.6
299.10736	3.3
300.11105	2.3
301.12323	3.9
303.10132	11.1
304.07382	4.8
317.11829	16.8
318.12567	18.9
327.10406	3.0
331.10120	2.5
346.12036	14.9
359.20059	2.4
361.21884	2.8
371.20071	5.8
387.19672	38.0
388.19998	5.1
389.21170	7.5
405.20724	84.0
406.21094	10.5
415.19162	100.0
416.19345	13.1
433.20227	31.9
434.20401	5.6
439.17728	2.5
459.18195	8.9
477.19241	23.3
477.26843	7.1
477.32455	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	477.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58948	1.7
57.03455	2.7
59.01387	39.3
60.99307	12.8
61.98834	4.4
68.99819	1.9
71.01388	13.7
71.54629	2.0
72.99309	4.4
73.02962	3.8
75.00889	13.3
83.01416	2.9
85.02977	7.1
87.00886	5.4
88.98815	100.0
89.02467	12.3
96.96037	1.9
99.00892	5.5
101.02428	9.4
109.02985	3.2
113.02480	8.7
119.03476	2.9
119.33096	1.7
121.02953	2.4
123.04498	2.1
125.02480	2.8
131.03587	2.3
137.02338	1.9
139.07672	5.2
148.15425	2.1
149.04567	2.7
150.05653	1.9
153.05576	3.1
155.10747	3.2
156.64032	1.9
161.04541	2.8
165.12877	2.5
166.05138	5.6
167.03578	3.7
167.05461	2.9
183.06619	3.1
184.06198	5.3
227.12964	8.6
230.88205	1.7
249.06291	3.6
267.07199	2.1
279.12201	7.5
297.12860	2.7
355.66818	1.8
387.16602	6.1
477.19687	25.2
478.19418	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06203	0.4
59.01385	4.5
59.46084	0.5
59.78323	0.4
62.34469	0.4
70.39342	0.4
71.01379	0.4
73.32877	0.4
73.51801	0.5
81.03471	1.3
81.96138	0.4
93.11032	0.4
98.19930	1.5
108.02198	0.6
115.72880	0.4
122.03748	9.6
125.02488	0.6
137.02449	1.1
169.06610	0.6
169.10187	0.9
171.08205	4.4
191.32324	0.4
213.09229	100.0
214.09552	6.8
231.07318	0.4
233.89885	0.4
297.65680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1407
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
55.01853	0.7
57.03440	1.0
59.01387	38.2
60.01723	0.7
61.98825	1.6
69.35084	1.9
69.35516	2.6
71.01390	12.7
72.63596	0.5
72.99300	1.3
73.02933	2.4
75.00861	1.5
75.02399	0.6
83.01373	1.8
85.02962	4.0
87.00897	1.0
89.02451	7.5
93.03465	5.2
95.01410	2.4
98.52328	0.5
99.00875	0.8
101.02460	7.0
105.03465	5.0
108.02189	2.3
113.02477	5.5
119.03490	1.8
121.02960	3.1
125.02431	1.3
131.03510	0.6
135.04550	1.4
139.61801	0.6
143.03554	0.9
149.02458	1.5
149.04530	0.7
149.69766	0.5
151.04037	2.1
153.01984	3.7
161.04565	1.8
165.54744	0.6
183.08131	1.8
189.46719	0.5
209.09726	2.3
211.07658	6.1
211.13396	1.2
212.08444	31.7
213.08850	1.9
218.65167	0.6
227.10794	73.9
228.11116	5.4
240.07976	2.2
252.07677	0.7
253.08626	1.1
255.10260	2.0
258.08963	1.6
271.09766	14.4
272.10126	1.1
273.11395	6.1
274.11823	0.7
281.08292	1.4
285.11356	1.8
313.10693	1.1
315.08771	13.1
316.09106	1.1
329.23260	2.6
352.72983	0.6
357.09741	1.6
388.33627	0.6
395.06384	0.5
417.24857	1.7
435.26050	1.1
477.14047	100.0
477.26111	2.5
478.14474	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
59.29451	0.5
69.60851	3.4
98.20629	1.0
107.83377	0.5
116.78754	0.5
121.02983	0.6
136.01671	0.7
137.32948	0.6
144.05847	1.1
157.06587	2.6
159.04559	0.8
159.08168	9.5
161.02438	1.2
174.03250	0.5
174.57838	0.5
175.04050	0.7
175.07617	1.2
187.03954	1.2
190.06265	0.5
201.05647	1.3
202.06351	1.5
203.07153	36.0
204.07455	1.5
206.02266	0.7
209.11943	0.8
221.08192	14.2
222.08548	0.6
229.08733	3.0
258.05273	0.5
341.14099	0.8
365.10321	10.7
366.10419	0.6
379.11807	1.1
380.12729	5.5
395.15002	100.0
396.15320	10.4
466.26538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1405
Annotation	Macrophylloside C (Hydrangea)
Peak:m/z	Relative Intensity
57.03440	0.9
59.01383	26.1
69.52872	1.3
69.53284	3.1
71.01392	8.3
72.99313	1.0
73.02955	1.1
75.00877	7.9
76.95536	0.8
85.02960	2.9
89.01996	0.6
89.02432	3.5
90.20092	0.6
93.03452	7.2
95.01414	1.6
98.25373	0.7
101.02433	3.5
108.02187	3.0
113.02461	3.5
119.03515	1.3
121.02967	3.2
135.04535	2.1
136.05382	0.8
149.02481	1.1
151.04041	3.4
153.01947	0.7
161.02486	2.5
163.04008	2.2
178.06407	3.7
180.05823	0.7
189.02019	0.6
193.08788	3.8
197.21306	0.6
204.54651	0.7
211.07646	7.2
212.08443	43.3
213.08868	2.3
223.07677	0.8
227.10786	79.8
228.11121	5.3
239.07019	1.0
252.07942	2.4
255.03018	0.9
255.10274	7.8
256.10742	1.0
267.06677	2.1
271.09769	100.0
272.10107	8.3
283.09778	2.8
285.11356	12.3
303.41672	0.7
303.61920	0.8
313.10883	10.7
314.10995	1.0
315.08847	7.6
345.22647	0.9
363.57224	0.7
412.71622	0.7
417.25183	1.1
428.60696	0.7
477.14014	44.6
477.30765	6.5
478.14255	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	477.1195
Annotation	Phelligridin F
Peak:m/z	Relative Intensity
59.01385	6.9
60.65759	0.5
71.55070	0.7
71.68096	0.5
73.02988	0.7
77.52492	0.5
91.13925	0.5
96.99133	0.6
101.02456	0.6
116.92855	1.9
121.02995	0.6
133.03001	2.1
146.03755	6.0
147.00891	1.0
148.01648	2.7
149.02478	2.0
149.06065	0.9
155.05098	0.7
161.02425	1.1
161.06128	1.8
164.04842	3.0
167.05005	0.7
171.04517	2.9
175.00372	1.4
176.01115	1.1
179.07161	12.3
182.03793	0.9
183.04503	6.4
184.05327	0.7
187.03911	0.7
191.03362	0.7
195.04567	0.9
198.03207	1.7
199.04022	6.9
200.04765	2.2
210.03314	1.5
211.04021	11.7
212.04738	2.4
223.04022	1.0
225.02345	0.7
226.02806	2.8
227.03502	21.4
228.04214	4.8
238.02737	1.0
239.03503	8.2
240.04300	9.8
241.04878	0.9
254.02229	3.1
255.03009	43.4
256.03677	5.1
257.04410	0.7
267.02939	2.5
268.03809	9.4
270.05386	2.0
272.03281	1.3
282.01807	5.6
282.04913	1.1
283.02512	75.1
284.03244	37.8
284.06516	1.1
285.03864	3.8
285.07593	1.5
294.78412	0.7
295.02484	0.9
295.99924	1.0
296.03244	11.1
297.04059	55.5
298.04834	100.0
299.05560	37.3
300.05951	2.2
312.06433	0.9
313.07376	1.3
359.27917	3.6
447.10031	0.7
459.10965	1.2
477.11868	14.4
478.12155	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	477.1041
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.19359	0.6
55.01881	0.6
59.01385	9.9
65.00900	0.5
69.17604	1.4
69.18000	5.9
70.54806	0.5
71.01387	1.2
75.90411	0.6
83.01406	0.6
89.02436	0.7
101.02469	0.9
107.01388	1.0
113.02499	1.4
122.98325	0.6
125.02444	0.6
151.00383	2.5
175.03996	0.7
178.99829	0.7
199.04013	3.5
201.01900	1.7
203.03540	1.4
215.03526	4.1
225.01791	0.7
226.02672	0.9
227.03481	4.3
242.02194	10.0
243.02989	41.4
244.03345	3.4
253.35344	0.6
253.37848	0.7
255.02963	1.2
257.04593	11.8
258.04980	0.9
270.01727	12.8
270.99408	0.9
271.02481	44.6
272.02753	3.0
285.04062	21.7
286.04843	7.2
299.02002	8.1
300.02753	5.2
314.04333	47.9
315.04962	11.4
344.45303	0.7
345.22824	2.3
417.24429	0.6
477.10391	100.0
478.10745	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	476.2785
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
57.49557	0.3
58.83613	0.3
62.96410	0.5
65.88816	0.3
70.91981	0.6
72.63199	0.3
75.52789	0.3
76.09492	0.3
78.95911	100.0
96.96375	0.6
96.96970	8.2
110.11299	0.3
134.20525	0.3
137.01758	0.4
140.01192	0.7
152.99600	16.5
153.99886	0.4
165.73335	0.3
171.00655	19.4
214.04933	0.4
342.79840	0.3
402.23972	1.9
476.27847	63.4
477.28101	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	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98839	0.4
69.36598	2.3
75.00407	0.3
78.95912	5.3
98.20776	0.4
107.05016	0.3
117.33059	0.3
140.01181	2.0
152.99577	0.5
196.03853	1.4
207.21880	0.3
214.04897	2.9
257.08292	2.0
261.22394	0.4
279.23297	100.0
280.23648	8.5
352.54257	0.3
414.17816	0.4
433.27475	0.3
459.25427	0.6
476.17783	0.4
476.27969	7.8
476.34357	0.5
477.26770	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	476.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68384	0.8
56.24259	0.7
59.01381	2.4
61.98833	3.0
65.74999	0.7
71.55033	1.0
80.93567	0.8
82.10708	0.7
103.62448	0.7
131.27890	0.7
154.76938	0.8
165.88545	0.6
177.12854	1.0
179.08673	2.6
193.27162	0.7
196.08908	1.1
211.07574	1.3
223.07661	32.6
224.08362	6.4
225.09221	3.7
235.07640	1.7
237.09195	1.8
245.09764	1.0
251.07114	1.4
259.11243	1.0
262.06381	0.9
263.07187	1.9
264.07889	4.6
277.12250	0.9
285.09012	0.7
289.08658	1.1
303.10257	6.9
304.11044	10.4
305.11508	1.1
329.18921	0.8
347.20178	26.5
348.20584	3.4
355.16751	0.9
373.18073	19.3
374.18539	2.4
391.19183	100.0
392.19553	11.8
394.20209	1.0
476.16895	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	475.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31030	0.2
59.01387	4.2
66.86597	0.2
71.01383	0.6
75.89018	0.2
80.02686	1.1
81.03457	0.3
89.02451	0.4
93.03484	0.4
96.96027	2.1
108.02182	31.4
109.02515	0.6
123.04537	21.1
124.04847	0.8
139.00348	1.4
152.01155	2.0
153.01953	1.3
154.02722	1.1
164.30582	0.3
167.03508	100.0
168.03871	3.7
169.05002	0.6
193.01324	0.3
245.62946	0.3
248.08412	0.6
249.09088	0.3
271.22775	0.5
283.06119	0.3
292.07199	0.6
324.06207	0.6
325.20242	0.3
325.27951	0.3
343.28439	2.1
387.19467	0.3
400.30594	0.3
415.27383	0.5
421.16638	0.7
431.18658	2.2
433.27988	0.8
439.17328	1.6
440.18359	0.3
465.12823	0.3
475.17456	1.8
475.23508	2.0
475.28683	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	475.2478
Annotation	Bazouanthrone
Peak:m/z	Relative Intensity
59.01388	66.1
60.66608	3.9
61.98832	6.2
69.19399	4.2
71.01392	14.4
71.46729	5.6
77.48528	4.3
78.95916	100.0
89.02451	14.3
96.96965	10.3
101.02448	13.1
102.28342	4.1
138.03239	4.8
152.99606	19.5
166.99866	8.3
171.00630	18.7
181.07181	43.5
182.02280	21.1
188.56519	4.1
197.04617	26.3
229.21826	4.6
236.54518	4.8
277.21707	8.0
417.22995	16.1
439.89166	5.2
475.25101	52.2
475.34146	9.4
476.28003	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30083	4.0
59.01388	48.7
65.60741	4.0
68.79555	4.5
69.63803	24.9
71.01383	4.8
77.07367	3.9
77.58383	3.6
78.95915	12.0
80.08234	3.4
87.68214	4.2
95.39122	3.8
98.20684	3.9
121.02942	4.6
147.65773	4.0
158.03729	8.1
165.30498	3.7
171.00864	5.6
171.71074	3.9
181.07162	8.9
205.12122	4.0
221.06017	3.8
230.89890	4.2
235.07657	17.5
239.07065	6.2
240.07996	4.8
247.07814	5.0
250.06310	8.7
261.05457	5.0
263.07150	34.9
264.07779	6.6
275.07114	20.0
276.07932	6.4
277.21722	18.1
282.16232	5.3
289.05032	20.0
290.05624	4.9
301.05060	13.6
309.15048	15.2
311.51465	3.7
315.06332	5.0
327.15970	4.9
329.08426	6.5
344.10696	5.1
353.13962	32.4
385.18155	7.1
387.19672	100.0
388.19952	12.7
390.17871	7.8
413.17554	67.6
414.18066	8.3
431.18536	48.9
432.18982	11.2
457.16415	10.5
458.08096	5.1
475.17587	45.2
475.25067	20.6
476.18268	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	475.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36846	1.2
57.03444	3.5
59.01385	100.0
69.19355	14.8
71.01384	19.6
72.99301	1.6
73.02953	9.3
82.67706	1.4
83.01391	3.7
83.05000	1.5
85.02975	6.8
87.00869	2.3
89.02435	10.4
91.01890	2.8
93.03491	1.7
95.01416	3.3
98.20695	2.3
99.00872	2.2
99.04559	1.9
100.84935	1.3
101.02448	14.2
107.01396	3.1
108.08186	1.4
113.02462	9.5
117.03410	1.7
119.03493	3.8
119.05016	3.9
123.00860	4.4
125.02463	3.9
131.03506	1.4
135.00877	7.1
149.02455	3.5
151.00380	3.8
153.01938	2.4
161.04558	5.8
163.00319	1.4
163.03999	1.4
163.11183	2.6
268.03787	1.4
271.06143	16.7
271.19049	1.6
272.06348	1.7
283.05981	1.8
293.66815	1.6
298.04858	2.6
311.05579	1.7
312.06161	3.2
313.07181	23.5
314.07547	2.0
334.56192	1.4
343.08005	2.4
343.17416	1.8
343.21246	4.1
389.21829	3.1
415.23483	8.0
433.24487	3.9
469.41089	1.4
475.12280	8.2
475.21783	2.4
476.13324	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	475.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45048	0.4
59.01385	7.2
69.47167	2.6
71.01414	0.5
73.02980	0.4
73.36980	0.3
80.02677	1.2
83.05064	0.3
85.02957	0.4
108.02187	32.0
109.02500	0.7
109.06660	0.4
113.02482	0.7
121.02906	0.3
123.04541	22.7
124.04947	0.5
152.01184	2.6
167.03511	100.0
167.96664	0.3
168.03857	4.2
209.11829	1.0
248.08331	1.4
249.09270	0.7
307.18970	0.5
343.28610	0.8
387.19720	1.2
421.16656	0.6
431.18829	2.4
433.28204	0.5
439.17535	1.2
440.77777	0.4
475.17484	3.2
475.23578	1.7
476.17880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.4
59.01385	100.0
60.01719	1.1
64.58060	0.9
69.34235	5.9
69.34549	0.8
69.84542	0.8
71.01390	24.1
71.01786	1.6
71.05023	1.1
72.99309	1.7
73.02952	10.8
83.01392	3.0
85.02956	8.6
87.00907	2.5
87.04534	1.7
89.02454	10.7
95.01418	2.1
95.82581	0.7
97.02983	0.9
99.00894	2.7
99.04517	2.4
101.02454	15.9
109.02949	1.0
113.02464	13.0
119.03501	3.9
121.02949	1.2
125.02437	1.7
135.00885	2.4
135.04532	2.8
135.82632	0.8
138.48657	0.8
143.03497	2.2
146.06075	1.0
149.02463	1.5
149.04584	2.2
161.02464	1.6
161.04581	4.2
171.10303	1.6
178.72089	0.9
179.05647	1.6
209.15565	1.0
236.12100	1.0
238.02678	2.1
253.04990	2.5
253.18025	0.9
271.06088	7.3
271.19269	4.4
283.02563	2.2
297.04242	2.1
298.04739	3.3
313.03665	1.3
313.07214	6.2
343.21246	6.8
371.20740	2.8
389.21933	2.4
415.23419	17.1
416.23502	1.7
433.24628	8.6
434.24536	1.1
475.12817	4.7
475.25543	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	475.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83208	1.3
55.01867	1.4
55.96566	1.3
57.03445	4.1
59.01384	100.0
60.01729	2.6
60.15272	1.1
64.90818	1.2
69.18838	8.4
69.19251	4.3
71.01391	14.7
72.99281	2.4
73.02960	6.0
75.00890	2.7
83.01402	2.4
85.02951	11.0
87.00882	1.9
89.02456	6.2
94.64470	1.2
95.01395	1.3
98.19848	2.7
99.04537	3.8
101.02438	11.7
113.02455	6.5
119.03563	2.0
119.05038	5.1
121.02888	1.4
128.18262	1.2
151.00381	7.5
159.03009	1.6
161.04581	5.6
164.79034	1.6
191.05606	1.8
211.03973	1.7
251.16309	1.5
271.06177	14.2
272.06439	1.7
283.19263	1.6
327.21768	7.7
330.32446	1.4
343.21301	4.2
366.59500	1.2
415.23553	10.7
416.23773	1.4
433.25092	2.0
475.11969	1.9
475.29520	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	475.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38087	0.7
58.19250	0.7
59.01373	3.3
67.23217	0.7
69.58472	4.0
77.99671	0.8
80.72847	0.7
92.61907	0.7
107.05038	2.9
135.04553	11.2
149.02460	0.9
157.06602	1.2
159.08168	1.1
171.08133	1.0
175.07649	1.1
177.12881	1.8
178.02510	0.8
189.09178	1.6
203.03401	0.8
210.16359	0.8
213.09225	1.6
215.07025	1.7
223.07599	1.4
225.09235	8.1
226.10057	6.4
227.10722	2.4
237.09138	1.8
239.10789	1.7
239.77226	0.8
261.12756	3.8
263.07339	0.9
277.12344	0.8
290.22476	0.8
305.11646	1.3
305.19055	5.2
331.20749	2.5
349.21774	22.4
350.21960	1.6
351.07449	1.3
375.19681	33.1
376.20059	3.1
393.20737	100.0
394.21039	11.2
431.26306	0.9
475.12524	1.5
475.19501	3.2
475.25131	14.2
476.13541	1.0
476.25220	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	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	19.1
57.61520	1.8
58.00596	2.0
59.01387	100.0
60.99313	2.1
61.98825	1.7
71.01392	43.5
71.54105	2.0
72.99312	4.6
73.02953	2.8
81.40688	1.6
83.01405	18.5
83.05035	2.1
85.02953	10.9
87.00905	4.0
88.98798	8.5
89.02457	48.9
95.01401	3.4
96.96025	6.9
99.00938	2.4
99.04532	9.0
101.02450	25.4
106.87672	1.8
109.02960	14.4
113.02464	17.2
119.03528	17.4
119.08681	2.4
120.05834	2.5
121.06599	4.1
127.04059	2.1
131.08659	3.5
133.06642	2.0
135.04521	3.0
135.08224	1.9
137.06102	3.8
143.03522	3.7
147.08163	4.4
147.11818	5.6
148.34027	1.9
149.04675	2.3
149.05974	2.8
149.09732	2.4
158.91588	1.6
161.04587	4.7
161.09750	3.6
163.07657	3.5
165.05569	3.0
167.07092	2.4
171.10420	1.7
171.11821	7.0
173.09729	5.6
175.07648	26.0
178.06410	1.8
179.05618	15.0
181.05080	5.8
184.06047	1.7
189.12842	23.3
191.10777	6.2
195.06619	5.2
199.22125	1.8
203.10899	1.7
211.09647	1.7
215.10800	4.0
217.08716	3.8
233.11847	64.1
234.12161	4.9
235.09796	2.8
277.10849	32.1
278.11249	3.0
311.05765	3.0
377.14517	10.5
457.16989	9.5
475.18137	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	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	24.3
58.00591	3.3
59.01386	100.0
61.62158	1.9
62.60570	1.9
69.99403	8.3
71.01392	48.0
72.99312	3.2
73.02953	4.0
75.00881	4.0
83.01394	24.5
83.05048	2.9
85.02958	11.1
87.00925	3.9
88.98820	4.3
89.02455	52.0
89.99885	1.5
95.01379	4.4
96.96021	4.0
97.02938	2.0
99.04538	9.0
101.02457	28.2
106.04279	1.7
109.02982	8.1
113.02456	19.6
119.03497	20.6
119.08664	3.2
120.05838	2.3
123.03269	3.2
129.71358	1.7
131.03494	2.3
131.08640	3.2
135.04507	3.4
137.06107	2.4
138.05612	9.4
143.03540	3.4
147.08183	6.0
147.11792	8.8
149.04541	2.6
149.09750	2.3
161.02496	3.6
161.04561	4.5
161.09746	4.7
163.07706	3.1
165.05588	3.5
171.11810	12.2
173.09731	7.4
175.07664	32.3
179.05612	13.2
184.06131	2.4
189.09137	2.8
189.12865	26.0
191.10744	4.2
195.06563	2.2
215.10817	5.5
217.08717	3.7
225.11404	2.6
233.11847	79.9
234.12216	4.9
267.07355	2.1
277.10822	42.3
283.06006	2.2
302.64859	1.9
377.14639	5.0
457.16962	6.4
475.19116	9.0
476.18539	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	475.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50397	1.4
56.87759	1.4
59.01389	23.0
78.95913	54.1
96.96021	2.3
96.96989	3.3
98.19936	5.6
103.74040	1.5
105.03503	1.8
105.58148	1.6
107.05032	3.8
121.02948	4.3
135.04520	1.6
145.02853	1.5
152.99600	8.6
157.06599	4.3
158.03761	8.4
159.04507	3.7
167.03568	2.6
169.06609	3.5
170.03745	4.8
171.00639	9.8
171.04504	4.9
175.07637	3.4
181.06615	2.3
182.02126	1.9
183.08192	5.9
197.04492	2.0
197.06146	3.9
201.05566	5.6
201.09076	2.0
205.06451	1.9
207.08154	1.9
208.05141	1.8
209.06067	3.7
211.07640	4.1
212.08319	2.5
213.09169	4.4
217.06555	1.8
219.04500	1.7
219.06546	4.5
221.06056	1.8
225.05562	3.2
225.09195	3.1
227.07072	4.7
231.08240	2.6
233.06036	1.6
234.06990	2.1
235.07645	17.7
239.07161	5.9
240.07816	9.7
243.06735	2.1
243.19730	1.4
245.06010	3.1
245.08212	3.3
247.07637	5.1
248.04854	3.6
249.05571	3.0
250.06293	7.1
251.07005	2.1
255.06699	2.2
257.06064	1.7
259.03967	1.6
260.04813	4.3
261.05569	6.1
262.06207	2.9
263.07153	31.7
264.07681	4.6
271.11340	3.0
272.04797	1.6
272.11758	2.3
273.05627	2.0
274.06354	2.5
275.07175	18.7
276.07858	10.3
279.23276	25.8
281.15295	2.7
282.16348	2.1
289.05048	12.9
290.05792	2.1
299.10791	4.1
301.05093	14.3
301.08478	3.0
302.05792	2.3
303.10281	3.1
307.06134	2.2
309.11658	2.2
309.14938	16.9
310.15540	1.9
315.06714	3.0
315.10309	3.5
317.11783	3.6
318.12659	3.2
327.15894	3.4
329.08258	5.2
335.12885	5.7
343.20929	2.3
344.10620	4.0
349.78314	1.4
353.13989	38.0
354.14334	3.0
359.20218	2.1
369.18561	5.7
385.18030	8.0
387.19684	100.0
388.20007	10.3
407.18777	2.8
413.17584	61.8
414.18082	5.8
431.18610	44.1
431.25803	13.8
432.18912	7.1
432.26489	1.9
457.16498	6.7
475.18472	40.1
475.25186	7.4
476.18021	4.0
476.27942	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60141	0.6
57.03450	3.3
59.01385	79.5
61.94160	0.7
65.79164	0.6
69.44745	2.6
69.45165	2.3
71.01389	13.0
72.99306	1.3
73.02937	2.0
75.00877	1.3
75.47131	0.6
83.01363	1.6
85.02972	4.9
87.00853	1.0
89.02451	6.4
91.39622	0.7
93.03471	7.8
95.01391	1.2
99.00908	1.2
99.04529	1.6
99.92572	1.5
101.02456	7.0
104.05046	2.8
106.06639	7.6
106.60428	0.7
108.08208	13.5
109.02980	1.2
110.97807	0.6
113.02453	6.3
115.92113	3.3
116.92864	12.9
118.06636	0.9
119.03504	1.8
125.02436	1.0
134.06122	1.2
137.02461	18.6
138.02774	0.9
147.03194	0.7
148.04057	32.6
149.04401	1.4
152.07196	6.5
160.01834	1.1
160.02797	0.8
160.04054	21.2
161.04834	26.3
162.05629	5.1
162.11108	0.7
164.03491	1.1
166.08728	2.3
174.05568	0.7
175.02727	1.1
175.04030	1.5
175.07509	0.8
192.03015	2.2
193.03804	12.4
197.02791	2.0
210.05765	1.0
219.06577	1.3
237.06827	0.7
240.04279	1.1
240.10268	1.3
242.11830	2.0
251.08228	0.8
253.05057	2.3
253.79637	0.6
255.06561	2.0
266.48166	0.8
267.07043	0.7
267.11386	5.2
269.12964	60.6
270.13208	4.2
271.06235	1.2
271.09711	4.0
282.80716	0.7
295.10883	51.7
296.11044	4.7
309.11966	0.7
311.13782	1.6
313.11948	60.7
314.12354	4.7
327.21756	4.5
328.22232	0.8
343.21310	0.9
355.12964	8.7
356.13223	1.0
415.15015	0.8
415.22986	1.5
433.24249	1.4
475.17145	100.0
475.28568	3.8
476.17401	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	475.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37790	1.0
59.01385	14.9
69.30343	8.2
71.01399	1.2
78.95908	3.1
79.05562	1.3
88.14871	1.2
92.76792	0.9
96.96008	1.4
99.35668	1.0
105.03458	1.4
111.56042	1.1
119.05096	1.0
121.02973	3.9
122.85140	1.0
130.04173	1.3
137.02411	1.1
143.05014	2.3
145.02901	1.9
147.04498	1.2
153.07204	1.4
158.03737	8.2
159.04541	5.2
167.03590	1.0
167.08754	1.7
169.06560	3.8
170.03775	2.6
171.04530	6.1
175.04030	1.5
180.05899	1.7
181.06653	1.8
183.08138	1.4
195.08278	2.0
196.05302	1.9
197.06131	3.3
198.06905	1.1
204.05838	1.5
205.06607	2.5
207.04466	1.2
207.08121	1.6
208.05283	1.5
209.06044	5.0
210.06888	1.5
211.07664	3.9
213.09212	5.3
225.05615	2.1
230.07458	1.9
231.08226	3.6
232.08951	1.4
233.06087	2.5
234.06728	2.5
235.07632	17.6
236.08238	1.8
239.07121	7.1
240.07875	10.7
245.06041	2.2
246.06882	1.7
247.07639	3.6
248.04872	5.3
249.05620	4.0
250.06335	8.6
259.11188	1.3
260.04752	3.3
261.05557	6.3
262.06311	3.5
263.07126	33.6
264.07822	7.0
271.11349	2.9
272.04803	1.3
272.08292	1.0
273.05661	3.0
274.06284	2.8
274.77124	1.0
275.07187	18.1
276.04568	2.5
276.07928	13.4
277.08469	1.4
277.21765	1.7
281.15469	3.3
282.16251	4.3
289.05118	15.4
289.08560	1.9
290.05847	2.1
293.57379	1.1
299.10852	4.2
301.05112	10.9
301.08466	2.4
301.12393	1.7
302.05630	1.4
303.10141	2.6
307.06125	2.7
309.15027	17.3
310.15176	1.2
315.06653	3.3
315.10345	2.8
316.10995	1.9
317.11832	2.1
318.12643	2.5
327.15912	6.7
329.08246	4.0
335.12857	6.8
343.09717	1.4
343.20502	1.2
344.10446	5.8
353.13977	38.0
354.14172	4.1
359.19989	1.1
369.18692	4.3
370.15695	1.3
385.18204	11.9
386.18478	1.3
387.19675	100.0
388.20035	10.8
390.17941	1.4
413.17578	60.8
414.17868	8.1
431.18652	49.7
432.19244	6.7
457.16556	11.3
475.17709	48.0
475.24945	7.4
475.28735	0.8
476.17911	5.8
476.27432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.8
57.38060	0.5
59.01385	40.5
61.98804	1.0
69.03422	0.7
69.40627	2.8
71.01390	9.2
72.99294	0.9
73.02953	4.4
75.00885	0.7
77.03965	0.6
83.01357	1.8
85.02950	3.5
87.00845	0.9
87.04484	0.9
89.02455	6.3
91.01851	1.4
95.01395	1.1
96.96020	0.5
97.06585	0.5
99.00867	0.8
99.04507	1.1
101.02445	7.8
109.02922	0.9
109.06548	0.4
113.02461	5.5
117.03470	1.1
118.03777	0.4
119.03510	2.4
121.02943	0.8
123.00848	0.8
125.02410	0.9
133.02948	0.8
135.00906	3.9
135.04536	6.8
143.03470	1.3
149.02408	1.8
149.04439	0.6
153.01886	0.9
161.02420	1.1
161.04553	2.8
171.04556	0.5
171.10262	0.6
179.05635	0.6
179.10794	0.7
183.04427	0.6
198.03250	0.7
199.03896	0.6
210.03168	0.9
211.03990	4.4
213.01971	0.6
215.03442	1.3
226.02666	1.6
227.03458	2.0
237.01981	0.8
238.02649	1.2
239.03459	2.6
240.04185	0.5
253.04985	1.0
254.02203	2.0
255.03004	31.5
256.03360	2.2
269.04526	2.1
270.05136	0.7
271.06131	9.2
271.19138	0.5
279.74417	0.5
281.04315	0.6
282.01706	1.6
283.02502	99.1
284.02924	7.7
284.06400	1.7
285.03986	0.9
285.06738	3.6
297.04041	12.7
297.06720	0.6
298.04840	58.0
299.05310	5.2
303.14615	1.0
311.05466	2.6
312.06091	2.8
313.03729	5.1
313.07166	100.0
314.04120	0.5
314.07547	9.1
325.06213	1.2
327.05231	2.6
342.07111	0.7
343.07202	2.5
343.21271	4.8
415.09543	1.2
415.23499	3.8
433.24438	2.7
460.10242	0.7
470.99475	0.5
475.12521	50.5
475.26923	1.0
476.12848	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	475.1265
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
57.03419	1.8
57.38060	0.5
59.01385	40.5
61.98804	1.0
69.03422	0.7
69.40627	2.8
71.01390	9.2
72.99294	0.9
73.02953	4.4
75.00885	0.7
77.03965	0.6
83.01357	1.8
85.02950	3.5
87.00845	0.9
87.04484	0.9
89.02455	6.3
91.01851	1.4
95.01395	1.1
96.96020	0.5
97.06585	0.5
99.00867	0.8
99.04507	1.1
101.02445	7.8
109.02922	0.9
109.06548	0.4
113.02461	5.5
117.03470	1.1
118.03777	0.4
119.03510	2.4
121.02943	0.8
123.00848	0.8
125.02410	0.9
133.02948	0.8
135.00906	3.9
135.04536	6.8
143.03470	1.3
149.02408	1.8
149.04439	0.6
153.01886	0.9
161.02420	1.1
161.04553	2.8
171.04556	0.5
171.10262	0.6
179.05635	0.6
179.10794	0.7
183.04427	0.6
198.03250	0.7
199.03896	0.6
210.03168	0.9
211.03990	4.4
213.01971	0.6
215.03442	1.3
226.02666	1.6
227.03458	2.0
237.01981	0.8
238.02649	1.2
239.03459	2.6
240.04185	0.5
253.04985	1.0
254.02203	2.0
255.03004	31.5
256.03360	2.2
269.04526	2.1
270.05136	0.7
271.06131	9.2
271.19138	0.5
279.74417	0.5
281.04315	0.6
282.01706	1.6
283.02502	99.1
284.02924	7.7
284.06400	1.7
285.03986	0.9
285.06738	3.6
297.04041	12.7
297.06720	0.6
298.04840	58.0
299.05310	5.2
303.14615	1.0
311.05466	2.6
312.06091	2.8
313.03729	5.1
313.07166	100.0
314.04120	0.5
314.07547	9.1
325.06213	1.2
327.05231	2.6
342.07111	0.7
343.07202	2.5
343.21271	4.8
415.09543	1.2
415.23499	3.8
433.24438	2.7
460.10242	0.7
470.99475	0.5
475.12521	50.5
475.26923	1.0
476.12848	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	475.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50009	0.4
55.01851	0.6
57.03413	1.3
58.00578	0.4
59.01384	41.0
59.01668	1.6
60.01694	0.5
61.98804	0.9
67.09464	0.4
69.41733	2.5
71.01385	9.8
72.99291	0.6
73.02957	4.5
75.00853	0.9
83.01362	1.1
85.02534	0.3
85.02950	3.3
87.00871	0.6
87.04492	0.4
89.02454	5.3
91.01870	1.6
93.03453	0.4
95.01374	1.5
99.00858	0.8
99.04531	0.8
100.07521	0.4
101.02450	7.1
109.02949	1.0
113.01745	0.4
113.02457	5.1
117.03408	0.6
119.03524	2.6
121.02924	0.9
123.00850	0.7
123.08117	0.5
125.02436	1.0
131.03555	0.6
133.02946	0.6
135.00864	4.0
135.04535	6.8
137.02402	0.7
143.03456	1.0
149.02377	1.6
149.04468	0.6
153.01913	1.4
159.02908	0.5
159.10277	0.5
161.02411	0.9
161.04541	2.6
167.10684	0.5
171.10286	0.6
182.03630	0.4
183.04483	0.8
185.02415	0.5
190.05034	0.7
195.04660	0.6
199.13495	0.5
210.03165	1.4
211.04025	3.3
214.28596	0.5
215.03459	0.9
226.02679	0.7
227.03462	2.0
237.01863	0.7
238.02675	0.7
239.03470	2.3
240.04045	0.8
241.01431	0.5
253.05028	0.7
254.02180	1.9
255.02995	30.0
256.03403	2.3
269.04578	2.2
271.06137	8.9
271.19211	1.0
281.04645	0.7
282.01700	1.7
283.02487	93.1
284.02878	8.2
284.06409	1.8
285.04004	0.6
285.06726	2.9
297.04016	12.4
297.07089	1.1
298.04828	56.4
299.05286	6.1
303.14636	0.5
311.05521	2.4
312.02911	0.7
312.06027	2.5
313.03708	4.9
313.07159	100.0
314.03943	0.8
314.07486	7.7
325.06305	0.7
327.05066	2.6
343.07318	1.4
343.21298	5.5
357.06317	0.7
403.40863	0.6
413.08878	0.6
415.09567	0.7
415.23425	4.6
427.84592	0.5
433.24667	3.2
460.10318	0.7
475.12518	50.3
475.25867	2.4
476.12939	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	475.104
Annotation	Xanthoviridicatin D
Peak:m/z	Relative Intensity
59.01386	38.8
61.67781	0.8
61.98820	2.4
62.86306	0.8
65.59573	0.9
68.18076	0.7
68.45345	0.7
69.71526	2.6
69.71935	2.2
71.01379	2.9
73.02931	1.5
83.05016	2.2
85.02956	1.3
89.02422	1.4
96.58862	0.8
96.96025	3.8
97.06531	1.0
97.34692	0.7
101.02438	3.5
106.40981	0.8
113.02488	1.7
121.02955	0.9
129.21735	0.9
132.02155	4.3
132.03049	1.5
134.03732	3.6
137.02420	1.8
149.06088	4.3
161.04607	1.0
171.04491	0.8
175.00359	2.7
183.04538	1.7
195.04495	4.4
196.05212	1.4
199.03940	0.8
209.11848	12.2
211.04025	3.7
211.61848	0.7
212.04724	4.7
223.04094	5.4
224.02695	1.0
224.04825	15.4
227.16521	2.5
239.03517	13.7
240.04193	5.0
256.03748	3.2
267.03000	19.9
268.03784	49.0
269.04404	5.6
282.05371	34.5
282.08038	0.5
282.08612	0.8
283.06131	71.2
284.03497	0.8
284.06277	4.2
311.22244	0.9
327.25327	1.0
341.23279	3.6
357.26517	20.6
358.26691	1.4
373.07272	1.2
401.23431	1.1
431.11380	100.0
432.11710	10.3
433.23999	1.2
475.25314	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	475.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
56.61062	0.7
57.03452	1.7
59.01385	100.0
60.01723	1.2
61.01808	1.4
63.02400	1.4
65.00317	4.6
69.92834	3.5
71.01389	13.8
72.99332	1.3
73.02941	6.3
75.00887	1.7
80.36301	0.8
81.03486	0.7
83.01379	5.1
83.05030	0.9
85.02958	4.9
87.00888	2.1
87.04570	0.8
89.02455	6.3
93.03461	6.5
95.01438	0.9
95.05064	0.8
97.02944	0.8
97.06683	0.8
98.20667	0.7
99.00902	1.9
99.04516	1.9
101.02441	8.6
107.01384	8.3
107.05106	0.9
109.06602	1.0
109.37156	0.7
109.54445	0.7
113.02457	6.1
119.03575	2.8
119.05042	25.2
121.02969	0.8
123.00903	1.7
123.08156	0.8
125.02470	2.6
133.02979	2.3
137.02467	0.9
143.03543	1.8
143.05138	0.7
149.02461	1.3
149.04594	0.8
149.99590	1.2
151.00386	28.7
153.09203	0.9
157.08728	1.0
160.01686	1.6
161.02505	1.1
161.04535	4.3
165.01991	1.8
169.01451	0.9
171.10300	3.7
175.00363	3.8
175.04079	2.0
177.01910	3.6
179.03333	0.8
179.05659	1.1
181.12277	0.8
183.04608	1.3
183.10371	1.1
187.04091	1.2
193.01379	1.3
195.04555	0.7
197.11865	0.8
201.11392	0.8
209.11896	1.1
211.04008	5.7
211.13408	0.8
226.02797	2.8
227.03558	5.2
227.06990	1.8
229.14441	1.2
237.07602	0.8
239.03638	2.0
241.05032	1.2
242.05757	0.9
253.05106	0.9
254.02213	5.3
255.02995	23.4
256.03583	2.2
265.18298	1.1
268.03824	1.2
269.04471	6.7
270.05048	1.7
271.06128	58.8
272.06503	4.2
282.01767	3.9
283.02466	10.7
283.05487	0.8
283.19345	3.0
284.03253	7.3
285.04056	5.8
295.06210	2.1
295.11038	2.8
295.15659	1.0
297.04010	11.0
298.04828	80.8
299.05457	15.3
311.05618	0.8
313.07190	93.5
314.07547	8.1
327.18146	1.9
327.21945	7.2
328.22467	0.9
343.21243	13.7
344.22052	1.0
368.92294	0.7
406.72275	0.8
415.10196	1.7
415.23361	7.3
431.30411	0.9
433.24606	3.4
447.09689	3.0
460.10504	3.1
475.12427	21.0
475.24091	1.2
475.29309	4.4
476.13083	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1035
Annotation	Xanthoviridicatin D
Peak:m/z	Relative Intensity
57.19684	0.3
59.01396	1.9
59.44286	0.3
66.45578	0.4
66.91344	0.4
70.86169	0.7
70.86487	0.4
74.22217	0.4
74.22649	0.3
85.34085	0.4
93.03474	0.5
108.02186	0.4
115.37412	0.3
117.03443	1.1
119.05055	0.4
121.03026	0.4
132.02162	0.5
133.03000	0.6
134.88618	0.4
143.05008	0.7
145.02975	0.6
146.03746	3.6
149.02443	1.0
161.02480	1.6
161.06076	1.4
163.03990	0.7
164.04843	2.7
167.05032	1.3
169.06528	2.0
173.68921	0.4
179.07156	10.3
180.07538	0.5
182.03731	0.8
183.04515	1.8
184.05237	0.7
185.06065	0.6
195.04510	3.7
196.05260	1.2
197.06049	1.0
209.11797	1.6
210.03297	0.5
211.03976	3.0
212.04764	2.7
213.05554	1.4
215.03549	0.8
223.03973	1.9
224.04808	4.2
225.05557	3.3
239.03526	6.5
240.04259	2.5
241.05147	1.9
251.03564	0.3
252.04315	1.0
253.05008	0.6
267.02985	3.2
268.03790	3.1
269.04584	4.1
270.05301	1.6
285.07806	0.7
295.02472	1.8
296.03271	100.0
297.03964	32.4
298.04471	1.8
311.05591	0.6
312.06390	0.7
457.09415	0.7
475.10364	7.4
475.27136	0.5
476.10547	1.1
488.36783	0.5
503.44556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60175	5.9
55.74674	7.1
59.01373	18.3
61.98836	100.0
63.14669	7.2
69.86885	33.7
86.02897	6.3
90.34332	6.7
98.19943	7.6
192.04330	7.5
209.11864	54.0
475.26965	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	474.263
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
50.48614	0.2
51.84537	0.2
55.48867	0.3
59.01367	0.3
62.96434	0.4
69.57944	1.0
69.58351	0.5
78.95912	100.0
96.96976	7.6
124.01670	0.8
139.04012	0.3
140.01190	0.5
143.67822	0.3
150.98029	0.3
152.99603	17.0
165.32288	0.2
171.00658	18.0
172.00938	0.4
209.09538	0.2
214.04660	0.3
312.17255	0.2
359.09119	0.3
400.22717	1.7
417.23190	0.3
474.26306	54.1
475.26694	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	474.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91941	1.0
52.36277	1.0
54.09494	1.0
56.16378	0.9
57.03450	1.5
59.01389	14.1
61.98832	21.6
70.59592	0.9
70.65144	1.3
70.65490	2.3
71.01391	6.3
72.99348	1.5
73.02938	1.2
73.38599	0.8
83.01395	1.2
85.02942	3.1
87.00896	1.4
89.02440	5.5
95.01414	1.1
96.96036	3.7
101.02438	2.0
103.04305	1.1
104.05067	19.5
109.02965	2.8
113.02462	3.8
114.58226	1.1
115.86201	0.9
120.01290	1.2
120.04578	2.7
122.06138	1.5
135.04535	1.3
136.04950	1.6
137.02452	1.6
138.02151	0.9
138.03232	3.1
148.04062	51.4
149.04472	2.1
149.06085	1.1
153.05565	5.4
161.02437	2.2
161.04599	1.4
163.04048	1.6
166.05099	100.0
167.05428	3.6
176.04858	1.7
181.05057	1.1
191.07137	3.3
192.03026	9.4
195.06577	1.3
207.39665	1.0
209.02780	1.1
210.04089	86.5
211.04390	3.4
225.05873	7.0
233.11827	1.8
234.11319	1.1
263.07666	7.0
269.73550	1.0
277.10437	1.1
387.11148	1.4
474.12515	21.1
474.19104	1.5
474.24802	2.5
475.14258	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	474.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.7
61.98838	19.6
69.56086	12.7
71.01379	2.5
79.95730	2.8
86.97935	1.8
96.96027	100.0
99.92583	3.4
108.02187	4.2
118.89955	11.5
118.94202	5.6
123.04530	3.8
134.97110	2.0
138.21928	2.1
160.84219	41.0
165.19830	1.8
167.03506	17.6
168.03783	2.6
223.57127	2.2
238.42445	1.8
267.11716	1.9
357.05255	2.4
411.14282	3.5
430.06195	2.3
438.16269	2.4
474.05542	4.8
475.10486	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	473.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	14.8
69.23569	14.9
69.24000	9.3
72.05196	3.1
74.32542	2.4
75.02004	2.3
110.14815	2.3
116.92040	2.6
279.23328	100.0
280.23602	8.2
298.45779	2.6
305.24673	4.0
473.27170	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	474.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15848	1.1
59.01384	25.8
61.98835	100.0
70.41911	1.0
93.03474	5.0
95.45210	0.9
96.45551	1.1
105.03388	1.0
137.02448	8.4
148.05327	25.3
150.78603	1.0
154.91524	1.3
163.07669	32.1
164.07938	1.8
229.52081	1.0
319.55991	1.2
477.30222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53588	0.5
50.88046	0.6
59.01384	4.9
61.98834	3.1
68.99826	1.1
69.69937	1.6
69.70341	1.0
71.01382	4.1
72.99340	0.6
73.02932	1.2
85.02970	2.1
87.00904	0.8
89.02463	2.0
92.05070	0.6
93.03535	0.6
95.01430	0.7
96.96060	1.0
101.02433	0.7
103.04285	0.8
103.81268	0.6
104.05072	24.3
105.05411	0.7
109.02966	1.0
110.06065	0.6
113.02467	2.1
120.04551	3.2
121.02895	0.6
122.06149	2.0
125.02440	0.5
131.03539	0.5
135.04515	0.9
137.02432	0.6
148.04059	55.7
149.04410	2.2
153.05583	0.6
157.01405	0.6
166.05106	100.0
167.05486	2.9
192.03050	9.8
192.29692	0.6
196.07040	0.7
210.04086	94.0
211.04419	3.7
225.05870	0.9
233.11787	0.8
250.66658	0.6
263.07748	6.4
280.04822	0.6
284.07874	1.0
398.10574	1.1
456.11240	0.7
474.12527	21.1
475.13422	3.1
488.22318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44748	0.4
56.38562	0.4
59.01385	100.0
60.01733	0.9
69.60860	0.4
71.01395	1.8
73.02949	2.0
83.01402	0.8
85.02996	0.6
87.00874	0.5
89.02460	0.6
93.44864	0.4
94.71445	0.5
98.20647	1.5
101.02473	2.3
104.59974	0.4
108.51987	0.4
113.02494	1.4
119.18040	0.4
125.29321	0.5
161.04636	1.0
179.10886	0.4
229.43860	0.4
264.69165	0.5
268.03796	2.3
269.04565	1.1
311.05658	0.5
413.21869	0.9
473.10751	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	473.2694
Annotation	Biyouyanagin B
Peak:m/z	Relative Intensity
57.19862	0.6
69.08186	0.6
69.60589	3.8
117.05865	0.6
147.04495	2.9
159.04530	29.0
160.04877	1.6
173.06088	1.0
181.70749	0.6
185.06021	0.9
187.96295	0.6
201.09242	0.8
202.09818	0.8
205.15979	8.8
206.16312	0.9
211.07700	0.6
225.09265	0.7
239.10635	1.3
249.09160	1.2
250.10020	1.1
253.12201	0.7
282.08884	1.4
283.09744	0.9
291.13904	2.5
293.15497	10.9
294.15689	1.2
305.15482	39.7
306.15790	2.7
323.20230	1.3
359.20193	7.0
371.20111	5.4
372.20090	0.7
397.25598	1.4
429.27997	24.8
430.28452	3.3
457.25122	4.3
458.25092	1.2
473.27335	100.0
474.27637	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	473.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98839	26.0
70.02196	5.8
98.19960	1.8
99.92590	1.8
129.47768	1.1
154.72070	1.1
165.32909	1.3
167.03528	3.8
167.66153	1.2
438.07584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06811	0.4
54.47880	0.4
57.03451	0.5
59.01385	100.0
60.01713	0.6
65.59757	0.3
71.01392	2.5
73.02967	1.4
75.00868	0.4
85.02993	0.9
89.02456	1.4
93.36761	0.4
97.64950	0.3
101.02447	2.1
113.02499	1.6
119.03580	0.5
128.25005	0.4
147.57776	0.3
225.31079	0.4
229.44646	0.6
262.38660	0.3
268.03802	1.2
269.04581	0.6
283.06363	0.7
311.05646	0.4
413.21631	0.4
427.48398	0.4
473.10950	0.7
494.39008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	49.3
69.53559	11.1
71.01393	16.6
73.02940	8.9
83.01369	2.3
84.97086	1.8
85.02937	3.5
87.00861	2.3
89.02457	8.7
101.02444	12.8
113.02481	8.3
117.03495	4.7
119.03496	1.6
132.02184	19.9
134.03755	36.3
135.06688	3.1
136.85497	1.6
137.02408	2.1
138.01982	3.3
138.05537	1.9
149.04564	2.9
149.06070	5.7
160.01674	88.5
161.02060	3.9
161.04573	3.4
171.47903	1.9
175.04010	100.0
176.04483	7.9
191.07149	2.9
193.05067	59.2
193.06824	3.2
207.06537	2.1
235.06149	17.4
265.07275	2.7
283.06122	1.7
295.08310	4.2
297.07578	2.0
337.09180	2.8
353.06293	2.3
383.07806	4.1
429.17853	4.0
460.11185	1.8
473.11020	6.9
473.16721	85.6
474.16882	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	473.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74189	0.4
59.01380	2.8
65.00333	0.7
68.99828	2.6
71.01396	1.0
71.38004	0.5
71.38335	0.6
83.01402	0.9
84.62463	0.4
86.12570	0.5
95.01374	0.8
107.01417	0.6
108.02196	0.5
110.00099	1.0
110.44381	0.4
130.07027	0.4
135.00906	0.6
136.01669	0.9
139.00336	1.3
140.31450	0.5
157.45592	0.5
161.06061	0.9
163.00426	3.5
164.01208	0.6
171.04448	0.7
173.06142	0.9
175.00494	0.7
175.04031	1.1
176.01164	1.4
176.04803	0.5
177.01808	0.7
177.12866	0.9
189.05556	3.3
190.06355	2.7
201.05615	0.6
201.12920	0.8
203.03506	1.9
208.42911	0.4
217.05115	1.5
218.05836	4.9
219.13942	1.2
223.07553	0.4
231.06609	1.0
250.04970	0.5
267.06604	8.9
279.06720	2.5
279.09268	0.5
287.12997	2.6
305.11807	0.8
307.09796	1.6
321.11703	0.6
347.20358	0.5
349.18182	1.4
353.21350	0.5
391.19193	100.0
392.19504	12.0
473.28522	0.7
473.36246	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76257	0.9
59.01372	3.3
69.25613	6.2
69.26014	1.7
88.50696	0.8
98.19891	1.7
99.92593	1.3
120.70737	0.8
128.91751	0.8
156.23375	0.7
177.12926	1.6
179.08638	3.6
196.08897	1.3
211.07713	1.2
221.05963	2.3
223.07652	30.6
224.08310	6.9
225.09149	2.9
227.07156	0.9
235.07587	3.2
237.09081	1.3
245.09724	1.3
251.06935	2.0
256.07324	1.7
259.11176	2.3
261.09241	1.4
263.07156	1.9
263.10739	1.4
264.07831	4.6
275.10944	0.8
277.12277	0.9
285.09116	1.0
286.10129	0.8
289.08542	1.2
303.10217	6.7
304.11142	8.9
305.11441	0.9
323.07813	1.5
329.19061	1.4
345.18567	1.2
347.20193	30.6
348.20386	2.5
373.18118	23.9
374.18460	2.5
391.19171	100.0
392.19501	14.6
403.84311	0.9
424.78058	0.8
447.19965	1.0
473.10510	4.1
473.18094	6.6
474.11261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48645	0.8
57.17053	1.0
59.01389	6.5
69.71309	1.6
69.71708	3.3
88.77383	1.0
98.20013	1.3
119.05036	90.7
120.05367	2.6
130.04237	3.3
143.05052	1.3
144.05840	1.2
145.02956	1.6
145.06563	2.9
154.04062	1.0
157.06569	2.3
159.04515	1.5
159.08203	2.7
173.98250	0.9
175.41017	0.9
176.26538	1.0
187.04025	2.5
190.06351	1.1
201.05692	1.1
227.14442	4.0
237.88881	1.0
267.06644	1.6
271.13440	23.3
272.13940	2.7
289.14481	16.3
290.14624	1.0
391.19174	100.0
392.19434	10.5
413.17279	7.0
430.90268	1.1
436.32034	1.4
437.26993	2.1
473.32471	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	473.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	26.1
71.01385	2.5
71.55188	2.0
87.00861	1.3
92.62776	1.4
108.02168	1.8
113.02513	1.3
123.04518	2.3
124.01685	2.9
138.49734	1.3
141.07103	1.7
144.12210	1.3
148.01663	3.1
155.08751	2.1
160.84259	8.5
167.03502	6.9
167.08640	2.0
177.07104	3.0
183.08154	2.9
193.06628	4.5
195.08195	6.0
211.07619	11.3
221.06111	10.3
239.07152	100.0
240.07483	5.0
254.09497	48.5
255.09842	4.4
267.02945	3.3
269.11844	88.4
270.12280	7.6
271.39917	1.1
282.05362	7.2
283.05792	1.5
311.22427	1.9
473.26831	3.8
496.44098	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	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98286	0.6
57.03453	1.1
58.00596	0.7
59.01383	22.9
61.98815	1.3
69.03461	0.6
70.91970	0.6
71.01387	10.9
71.55531	1.1
73.02955	4.3
75.00873	1.9
83.01368	1.6
85.02938	3.4
87.00884	1.4
88.98819	4.8
89.02450	6.3
93.03454	0.9
96.95992	0.7
99.00867	0.9
101.02457	7.1
113.02455	4.1
117.03465	2.9
119.03466	1.6
126.39159	0.6
132.02177	18.2
133.03029	1.3
134.03752	29.8
135.03061	4.7
135.04466	1.4
135.06648	3.2
137.02417	1.3
138.01973	1.6
143.03453	0.8
147.04497	0.8
149.06104	4.2
160.01669	87.5
161.01990	3.6
161.04530	0.8
166.03839	0.7
167.03477	1.0
175.04007	100.0
176.04393	5.2
178.02692	1.1
178.41977	0.6
179.03392	0.8
191.07155	2.5
193.05061	50.2
194.05415	1.1
195.05099	0.7
217.05052	0.8
233.15503	0.8
235.06125	8.6
265.07202	2.1
267.07214	0.8
268.03687	0.9
273.07837	0.6
276.05655	0.6
277.07144	0.7
295.08240	1.4
297.07739	1.5
297.11920	0.7
325.06952	0.8
333.76212	0.7
337.09183	1.4
353.06744	3.4
354.06885	0.8
383.07834	1.4
426.08096	0.7
473.11182	4.2
473.16681	74.6
474.16898	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	1.6
59.01387	22.1
71.01389	9.0
73.02933	3.4
75.81568	0.9
76.38541	0.9
85.02958	3.4
87.00854	1.0
89.02452	7.2
93.03458	1.0
98.20674	3.4
101.02460	5.9
113.02441	3.5
117.03468	2.7
119.03465	1.8
119.05091	0.9
132.02184	19.0
133.03038	2.2
134.03757	34.3
135.06660	2.2
137.02463	1.9
149.06093	4.2
151.42012	0.9
160.01677	83.0
161.02042	4.5
161.04596	1.1
168.52846	1.1
173.06134	1.0
175.04016	100.0
176.04482	5.8
178.02670	1.1
191.07106	4.9
193.05070	45.8
194.05476	2.7
195.75490	0.9
207.06618	3.1
235.06137	15.3
235.21423	0.9
265.07202	3.0
283.06458	1.3
295.08398	2.0
297.07565	2.2
309.11987	1.3
337.09506	1.8
353.06863	2.3
379.03061	0.9
383.07864	4.8
429.17685	1.7
473.10733	10.0
473.16678	72.9
474.11072	1.7
474.16974	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	473.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03453	0.2
58.00610	0.3
59.01385	7.3
59.82880	0.3
60.99323	0.3
61.98838	5.9
65.03979	0.2
67.01904	0.3
69.03461	0.3
71.01389	5.2
71.53623	0.2
72.00905	0.3
72.01718	0.3
72.99305	0.5
73.02961	0.4
73.43584	0.2
75.00861	0.3
81.03487	0.4
82.30877	0.2
83.01392	0.8
85.02949	1.7
86.70228	0.2
87.00890	0.7
88.98824	1.6
89.02451	6.3
93.03474	0.6
95.01391	0.5
96.96016	1.8
97.02953	1.5
99.04511	0.4
101.02447	2.2
103.43634	0.2
107.05006	0.3
109.02965	100.0
110.03285	2.9
111.04537	0.4
113.02477	2.3
119.03532	2.1
119.05021	0.5
119.78389	0.2
121.06596	0.3
122.03764	2.3
123.04525	0.6
125.02460	2.9
125.06087	1.1
131.03537	0.3
134.03783	0.3
135.04512	1.5
137.02483	1.0
137.06104	5.2
138.03081	0.3
138.06445	0.3
143.03514	0.5
147.04546	0.6
149.04556	0.7
149.06062	0.7
153.05597	6.5
154.05914	0.3
161.04567	1.2
161.05984	0.4
164.07149	1.1
165.05592	0.7
167.07158	0.5
175.04099	0.3
177.05574	2.5
179.03574	0.7
179.05641	3.0
179.07100	0.2
183.06660	0.6
186.06789	0.6
189.05576	2.4
189.09204	0.4
191.05513	0.3
195.06615	0.6
200.08261	0.2
201.09222	2.3
207.06647	0.6
213.07686	0.3
217.08716	0.5
219.10303	1.0
221.04608	0.5
230.05896	0.2
231.06828	0.2
245.08215	2.5
246.08527	0.3
263.09363	0.3
275.09274	1.3
293.10361	1.0
311.07785	1.7
311.11438	2.1
315.10922	0.4
353.02066	0.4
361.15186	0.7
413.04559	0.3
413.16684	0.8
447.06790	0.2
455.15622	1.0
473.16690	8.3
474.17111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67776	1.2
57.03442	3.9
59.01386	19.4
64.03003	1.2
67.01897	1.9
69.03458	2.1
70.00677	6.1
71.01388	31.2
72.99317	1.5
73.02959	2.8
73.07652	1.2
83.01384	6.5
85.02961	30.1
87.00890	10.6
89.02458	10.7
95.01389	1.7
97.02907	2.7
98.20575	1.7
101.02435	6.4
103.04036	1.6
111.00891	3.4
113.02460	36.0
114.02749	1.4
129.01941	1.5
131.03473	1.7
149.04507	2.3
151.05003	2.3
151.06137	28.9
157.01437	2.0
173.04570	24.1
198.93306	1.1
205.07166	3.6
215.05585	3.9
283.10352	3.6
397.13962	1.4
413.06479	1.8
441.12427	3.1
473.15128	100.0
474.15521	9.2
480.02618	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	473.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67776	1.2
57.03442	3.9
59.01386	19.4
64.03003	1.2
67.01897	1.9
69.03458	2.1
70.00677	6.1
71.01388	31.2
72.99317	1.5
73.02959	2.8
73.07652	1.2
83.01384	6.5
85.02961	30.1
87.00890	10.6
89.02458	10.7
95.01389	1.7
97.02907	2.7
98.20575	1.7
101.02435	6.4
103.04036	1.6
111.00891	3.4
113.02460	36.0
114.02749	1.4
129.01941	1.5
131.03473	1.7
149.04507	2.3
151.05003	2.3
151.06137	28.9
157.01437	2.0
173.04570	24.1
198.93306	1.1
205.07166	3.6
215.05585	3.9
283.10352	3.6
397.13962	1.4
413.06479	1.8
441.12427	3.1
473.15128	100.0
474.15521	9.2
480.02618	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	473.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92627	0.9
59.01386	13.4
61.98820	2.3
71.55094	1.4
77.53366	1.0
83.05021	1.0
85.31817	0.8
91.01891	0.9
96.96037	1.4
108.02187	9.9
114.01302	1.1
116.92829	1.1
123.04548	6.0
135.04559	4.4
139.06630	1.0
146.03734	12.3
151.04063	1.0
157.06604	7.5
160.33194	1.0
161.06113	11.7
167.03510	21.9
167.04912	1.5
170.03729	3.4
173.06079	9.9
182.03683	1.6
183.04350	1.2
185.06081	5.6
191.07225	1.1
195.04648	1.3
198.03223	8.6
199.03778	1.2
201.05655	1.2
203.07161	6.2
210.03235	1.6
213.05627	4.9
223.03969	1.1
226.02748	12.1
231.06598	1.2
238.02846	1.5
239.03624	2.9
241.05089	58.3
242.05373	3.3
254.02232	3.2
267.02960	5.8
269.04565	4.2
282.05341	15.4
283.06015	3.0
296.03397	1.3
297.04080	31.8
298.04651	3.6
301.11020	1.1
311.05667	1.6
312.06421	100.0
313.06830	9.6
437.16089	4.4
439.95477	1.0
473.12100	2.6
473.25238	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	473.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.8
61.98857	1.2
69.38508	8.2
71.01373	4.7
73.02958	2.2
83.01405	1.2
83.05029	2.6
85.02935	2.6
89.02442	1.7
101.02444	3.1
108.02174	4.0
113.02425	2.9
120.51182	0.9
121.02983	2.2
133.02985	1.1
135.01251	1.0
139.07626	2.0
140.35847	1.1
149.04543	1.2
161.04588	1.2
167.03488	1.7
184.05284	1.2
186.06891	1.7
198.06836	1.5
209.06166	5.0
210.06879	7.2
211.03955	4.1
211.17061	1.2
212.04712	1.5
225.05557	4.5
226.06288	2.3
239.03447	4.2
253.05069	5.5
254.05858	100.0
255.06184	7.2
267.10306	2.9
269.08209	90.1
270.08566	8.7
290.95328	1.0
340.21271	2.0
341.21686	3.6
355.24814	1.8
382.74722	1.1
386.56705	1.0
473.17035	1.5
473.23273	1.3
473.27313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1091
Annotation	Germanaism B
Peak:m/z	Relative Intensity
57.03440	0.5
59.01385	19.9
59.57698	0.3
63.28111	0.3
65.00327	0.8
70.00990	1.7
71.01388	4.2
73.02953	2.3
74.14339	0.3
77.03978	3.3
79.01892	2.1
83.01391	0.7
85.02960	1.2
87.00880	0.6
89.02447	2.0
89.03972	0.4
93.03452	1.7
95.01396	0.9
96.13759	0.3
96.96021	0.9
98.20594	0.5
98.95599	1.3
99.00875	0.7
101.02454	2.5
103.01939	0.4
105.03466	0.6
107.01364	0.3
109.02911	0.4
113.02444	1.4
114.87493	0.3
117.03472	10.9
119.03463	0.5
119.05051	1.4
121.02979	2.6
124.07700	0.4
133.02965	0.8
134.03697	0.6
135.04465	1.7
145.02914	0.4
149.02458	0.9
159.04539	2.4
161.02458	4.5
161.04601	1.0
163.00368	1.2
163.04008	1.8
164.04791	1.3
165.01935	2.6
169.06551	0.6
175.00363	1.2
177.02013	0.8
179.03563	0.4
179.07152	0.9
181.06651	0.8
182.03751	0.6
183.04585	1.8
183.08118	0.9
185.05913	0.3
189.02008	0.4
194.07359	0.4
195.04478	0.4
195.08113	0.6
196.05318	1.0
197.06183	1.7
202.99858	0.4
209.06181	0.7
209.08197	0.4
210.06828	0.8
211.07623	1.3
212.87587	0.3
224.04796	0.9
237.05597	1.0
238.06224	0.6
239.07164	2.8
253.05136	0.7
254.05814	1.0
255.06575	0.7
268.03690	0.7
269.04578	7.8
269.12753	0.4
269.17633	0.7
270.04868	0.5
279.06659	0.9
281.04575	11.9
282.05310	3.4
283.06134	61.0
284.06421	5.2
285.12646	0.5
293.04550	4.2
295.06131	7.8
296.06424	0.5
307.06168	0.5
308.03336	0.8
309.04077	1.1
311.05618	100.0
312.05960	8.0
312.09360	0.7
314.04434	2.7
321.04086	2.3
323.05600	16.3
324.05789	1.0
325.07242	0.9
339.05191	0.9
341.06662	25.9
342.06870	2.5
349.07248	0.6
353.06897	2.4
371.07751	0.4
377.06699	1.1
395.07751	2.8
395.20584	0.5
413.08786	8.7
413.21808	1.0
414.09171	0.7
431.22742	0.8
455.20438	0.6
473.10901	32.9
473.16327	1.3
474.11188	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	473.1094
Annotation	Germanaism B
Peak:m/z	Relative Intensity
57.43023	0.3
58.97104	0.3
59.01386	11.5
63.02410	1.1
65.00337	0.7
69.23737	3.3
71.01390	1.7
73.02952	1.0
75.00882	0.3
82.27042	0.3
83.01388	1.1
85.02953	0.5
87.25574	0.4
89.02464	0.6
98.20781	0.7
101.02436	1.0
107.01358	2.0
113.02477	1.0
117.03463	2.3
119.73921	0.4
121.02905	0.6
127.68165	0.3
137.52200	0.3
148.01711	0.7
149.02440	1.0
149.99612	0.4
151.00374	3.2
152.00812	0.4
171.04494	0.9
172.05284	0.8
184.05188	0.5
195.04445	0.4
195.70805	0.3
196.05315	1.1
199.03964	0.4
200.04726	0.7
201.05559	0.7
211.04036	2.0
212.04659	0.8
225.05496	0.5
227.03189	0.4
239.03543	4.1
240.04285	5.0
249.06017	0.3
267.00311	0.4
267.02930	2.1
268.03784	100.0
269.04480	22.9
270.04889	1.2
283.06137	0.7
311.05692	1.2
317.94171	0.4
413.21658	0.5
473.10925	80.2
474.11240	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	473.1091
Annotation	Apigenin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.88368	0.5
59.01385	18.6
62.49847	0.6
69.62541	0.6
71.01395	4.8
72.99294	0.6
73.02949	2.6
77.03983	1.7
79.01912	1.3
83.01398	1.0
85.02953	1.5
89.02450	2.4
91.01917	2.1
93.03468	4.8
95.05053	0.7
101.02487	3.0
105.03460	1.6
112.96933	0.6
113.02454	2.5
117.03471	11.6
118.03838	0.8
119.03499	0.9
119.05032	1.6
121.02987	3.7
122.06199	0.7
131.03490	0.6
132.02185	7.9
133.03041	1.4
135.00876	3.0
135.03017	0.7
135.04578	3.4
145.02950	0.9
148.01691	0.9
149.02438	3.1
153.01947	1.3
156.05856	0.9
157.06674	0.8
159.04536	2.8
161.02458	5.8
163.00381	1.8
163.04002	3.4
165.01976	1.1
169.06593	0.7
171.04625	3.6
175.00284	0.9
175.03998	0.9
183.04607	1.0
184.05333	1.4
185.02451	1.0
185.06128	2.5
191.03540	2.2
193.01466	0.7
195.04486	1.4
197.06032	1.1
198.03220	0.8
199.04082	0.7
203.03558	1.0
211.04016	56.8
212.04349	3.3
213.05576	18.8
214.05974	1.3
224.04707	0.9
225.05583	1.7
229.82870	0.7
237.05623	1.0
239.03511	40.1
239.07277	1.5
240.04236	6.6
241.05084	6.9
242.05301	0.8
253.05171	0.7
265.05084	0.7
267.06467	1.0
268.03778	58.6
269.04550	100.0
270.04950	6.6
279.06561	1.6
281.04611	7.7
282.05423	3.5
283.06131	39.0
284.06354	3.1
285.12579	0.9
293.04538	3.8
295.06204	4.3
307.06091	1.4
309.04184	1.2
311.05634	71.2
312.05945	6.2
314.04224	0.8
323.05573	8.4
324.05969	1.1
335.05704	1.6
341.06653	10.2
342.06903	0.9
353.06750	2.2
355.63202	0.6
413.08777	18.3
413.21552	0.8
414.08694	1.2
431.10410	0.8
431.22766	0.7
473.10880	58.2
474.11066	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	472.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03444	1.8
59.01385	88.1
59.41928	1.1
60.01714	2.8
71.01395	10.4
71.05036	3.1
71.55264	1.6
71.55632	1.5
72.99310	2.1
73.02969	6.5
81.03466	6.6
83.01423	1.2
83.05034	49.9
85.02971	3.8
87.00866	2.5
89.02468	3.4
96.96041	1.7
97.06642	1.5
99.04496	1.3
101.02437	4.1
113.02453	6.0
113.09724	4.3
114.09236	2.4
115.07661	19.3
127.04015	5.5
127.11275	1.2
137.09715	2.7
139.07668	45.8
139.08754	2.7
139.11263	2.1
140.07968	1.5
140.10898	1.2
149.04523	1.4
155.10779	1.6
156.10324	18.5
157.08705	49.1
158.09071	1.6
158.11870	17.0
161.04552	1.5
180.13957	2.0
181.12350	10.1
183.10243	2.7
199.09772	30.2
199.13492	3.2
200.10013	1.4
209.06046	4.1
224.12868	10.9
242.13972	10.3
253.08810	1.1
340.21298	100.0
341.21710	7.4
431.22827	1.7
472.16348	1.5
472.25562	8.6
473.27393	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.2
59.01379	33.8
61.98836	100.0
66.49496	2.6
70.09930	4.7
70.10319	4.5
71.01383	12.1
71.14512	2.3
73.02943	5.0
83.01381	5.5
85.02959	4.4
97.89375	2.6
101.02439	4.5
105.52056	2.0
108.02171	8.1
111.00711	2.3
112.21564	2.5
113.02426	5.9
122.76460	2.3
123.04504	6.6
124.01725	2.7
160.72998	2.5
167.03600	12.1
167.04773	2.6
175.07701	3.3
219.06531	4.0
282.05417	4.1
385.86682	2.8
405.15869	2.6
471.34247	3.3
472.20816	13.4
472.34665	8.5
473.27036	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	472.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07042	0.4
57.03471	0.5
59.01386	2.6
61.98837	100.0
71.55573	0.7
81.03387	0.5
83.05040	1.3
105.87192	0.4
107.05001	0.5
121.02995	1.1
122.03773	0.6
123.04539	0.6
135.04546	0.9
136.05287	0.5
148.01694	0.6
159.46240	0.4
161.02515	1.5
163.04070	1.2
167.03520	0.5
174.03268	1.0
175.07599	0.8
187.07629	0.5
189.09277	0.6
195.31648	0.5
203.07204	0.8
215.07321	0.7
219.06691	1.9
233.08130	0.5
245.15497	4.8
257.15482	1.1
259.17035	0.7
284.14264	1.6
285.14975	4.4
303.16061	7.6
304.16599	0.6
315.58322	0.5
363.19699	0.7
364.80884	0.5
365.21463	0.5
391.19290	1.4
402.79935	0.5
409.20230	20.7
410.20569	3.4
413.89792	0.4
472.35666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.7
59.01390	6.0
64.99059	0.6
71.01389	5.8
71.53111	1.1
81.03458	1.2
83.05042	3.1
85.02952	1.2
89.02444	6.0
90.02828	0.7
101.02451	3.8
110.48746	0.6
111.06908	2.3
113.02452	2.5
119.03503	2.4
126.09263	22.8
127.09612	0.8
128.10773	1.0
130.08755	1.8
135.06657	1.4
141.68581	0.6
143.03510	0.7
154.08716	1.2
161.04601	2.2
172.09789	1.3
174.11403	7.7
179.05650	3.1
204.12422	100.0
204.43022	0.7
205.12811	3.5
297.11923	12.3
298.12405	1.6
341.11008	3.5
344.90292	0.6
454.40723	0.6
473.15079	1.2
495.96106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90259	1.0
59.01377	5.1
60.39512	1.1
65.01891	1.0
66.14042	0.9
66.82084	1.0
68.76556	1.0
69.27730	1.1
69.28070	9.3
69.79887	0.9
71.37409	0.9
75.25230	1.0
90.26515	1.0
91.33762	1.0
92.90213	1.3
94.80337	1.1
109.06593	2.0
153.65724	1.0
166.14436	1.0
176.56366	1.1
223.07666	1.5
277.21725	100.0
278.22058	8.3
321.18604	3.2
427.32410	1.3
435.25220	2.3
460.87851	1.1
471.25677	5.5
471.35474	11.7
472.35736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08604	0.8
57.31565	0.8
59.01387	2.0
61.98836	100.0
63.78688	0.7
69.39855	6.7
89.94859	0.8
90.43069	0.7
95.28767	0.9
98.06339	0.8
108.02172	2.6
109.65420	0.7
110.61967	1.1
123.04530	2.0
161.34515	0.8
162.84012	1.0
167.03528	8.5
245.39658	0.9
290.82117	0.9
312.06476	2.0
358.69794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.9
61.98837	100.0
64.41073	0.5
69.75526	1.2
69.75942	2.5
72.32333	0.5
85.73270	0.6
94.35618	0.6
99.92612	1.7
103.84912	0.6
107.18169	0.6
113.27510	0.7
239.10812	1.7
264.49496	0.6
305.65530	0.6
349.22501	0.6
409.20435	1.1
458.08646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16912	0.4
57.03456	0.7
59.01386	100.0
60.01732	1.0
69.03474	0.3
70.62691	0.3
71.01394	5.3
71.42380	0.3
72.99327	0.8
73.02954	3.5
75.00890	1.4
83.01376	1.9
85.02959	2.7
88.92943	0.3
89.02455	1.1
98.20611	0.8
99.00860	0.6
99.04523	0.4
99.30428	0.3
101.02453	4.1
101.69036	0.3
113.02462	2.3
121.02969	0.6
121.10284	0.3
129.01982	1.6
133.02969	2.1
134.03783	2.5
135.04532	1.3
137.02480	1.5
149.04628	0.5
151.65880	0.4
161.04626	1.2
177.01962	1.7
177.04048	3.5
178.02730	2.9
179.03493	0.9
195.05209	1.5
221.06697	0.3
231.10310	0.4
237.17174	0.4
275.09268	2.3
293.10455	1.2
356.07599	1.0
394.17722	0.4
411.20389	0.5
429.21524	0.3
453.14050	3.1
454.14423	0.7
471.15387	2.0
471.22424	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	471.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01385	100.0
61.98837	3.1
69.37562	6.4
69.37995	5.9
71.01393	1.5
76.44949	1.5
95.91032	1.5
96.96038	3.3
97.06673	1.6
98.19930	2.7
107.05010	3.6
123.04530	2.0
127.11299	1.6
135.04622	7.2
147.45862	1.4
169.12265	1.6
175.07634	2.0
191.07153	3.2
201.05441	2.0
219.06618	7.9
226.10008	7.4
241.12383	14.8
343.34747	1.5
355.15457	15.2
357.27811	2.8
411.21848	6.3
427.28253	2.2
471.23026	11.5
471.35452	10.4
472.24002	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	471.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90186	0.4
59.01386	100.0
60.01723	1.1
65.69946	0.5
69.26532	4.4
71.01404	2.1
73.02927	2.1
83.01421	0.9
89.02455	0.8
101.02448	2.2
101.39713	0.5
113.02458	1.0
132.74718	0.4
143.03607	0.6
149.04668	0.6
161.04596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72694	4.5
56.90671	3.8
59.01387	100.0
60.97226	4.2
69.03457	6.2
71.01389	42.1
72.60447	4.7
73.02958	46.9
73.50224	4.5
83.01378	15.5
83.05036	17.0
87.00887	8.8
89.02464	14.5
95.01405	5.4
101.02449	42.1
113.02461	12.1
119.03555	8.3
124.34042	4.1
129.66299	4.7
134.03835	4.7
149.04665	6.0
161.02403	9.8
161.04541	12.7
161.30449	4.6
166.38657	3.9
177.05582	4.4
195.50877	4.0
196.09251	3.4
197.42577	4.2
237.08218	4.1
309.11951	10.9
345.37704	4.5
400.06161	4.7
471.15088	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	471.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05308	0.4
56.44636	0.4
57.03453	1.1
58.82392	0.4
59.01386	100.0
59.54560	0.4
60.01730	1.0
69.75091	2.4
71.01392	2.9
72.99298	1.1
73.02955	2.0
75.00883	2.1
85.02958	3.0
87.00881	0.7
89.02422	0.9
95.38199	0.5
99.00932	1.4
101.02473	2.4
103.00372	0.5
111.00909	0.5
113.02467	1.2
121.03044	0.6
129.01959	2.8
131.03545	0.5
133.02974	3.3
134.03757	4.6
135.04546	2.1
137.02463	3.7
139.03984	0.5
140.51004	0.5
159.03088	0.6
161.04688	0.6
162.03264	0.6
177.01990	3.5
177.04070	6.9
178.02708	4.0
179.03545	1.4
189.12946	0.5
195.05179	1.7
212.05759	0.4
275.09259	2.6
293.10406	1.1
338.07150	0.6
356.07651	1.7
374.08701	0.9
378.24115	0.5
381.92892	0.4
386.03912	0.5
430.09384	0.5
453.14035	5.5
454.14426	0.6
471.15411	1.7
471.22150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	48.8
62.76805	1.0
69.22808	10.9
71.01391	16.6
72.35892	1.2
72.99304	2.5
73.02937	1.8
75.00863	4.7
83.01369	2.2
84.17435	1.0
85.02959	6.0
87.00877	1.2
89.02445	8.7
96.96084	1.3
98.20673	2.1
99.00890	2.5
101.02447	9.5
109.02936	1.4
113.02459	8.2
115.00425	1.3
117.03448	3.9
119.03493	4.3
127.95299	1.0
129.01939	1.6
132.02167	1.7
133.02965	8.3
133.05026	1.8
133.10255	1.4
134.03754	59.2
135.04576	9.3
136.01648	3.6
137.02464	3.6
138.55023	1.2
144.17964	1.0
147.04527	12.4
148.05339	7.1
149.06104	10.7
151.03928	3.2
158.03734	4.1
160.01671	15.3
161.02391	4.2
161.04546	3.1
163.04037	2.8
163.07681	1.3
163.98074	1.1
173.06018	3.3
174.03220	1.6
175.02567	1.6
175.04019	24.2
176.04802	31.0
177.01990	7.8
177.03976	5.7
177.05379	2.0
178.02731	7.5
187.11339	1.5
191.07143	44.7
192.04239	5.1
192.07379	1.7
193.05067	64.2
194.05414	3.8
195.03349	1.2
195.05080	5.5
207.06607	15.5
208.07002	2.0
220.03738	8.1
230.71979	1.2
235.06128	100.0
236.06444	5.7
249.06129	2.5
249.14868	1.8
265.07181	14.3
275.09158	2.4
293.10394	2.4
295.07837	9.2
295.10843	24.8
355.10358	1.5
375.95712	1.2
453.13562	2.4
471.15002	76.9
472.15497	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	471.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03488	1.0
58.00569	1.5
59.01387	67.9
61.29918	0.9
64.53480	1.1
67.58601	1.1
71.01394	17.3
71.55083	1.1
71.55524	1.9
72.99280	1.4
73.02953	4.1
79.95766	1.2
83.01403	2.2
85.02957	5.2
87.00883	2.1
89.02451	10.8
93.03473	1.6
96.96021	33.7
99.00861	1.7
101.02446	11.2
102.40635	1.1
111.33272	1.0
113.02455	8.7
115.03969	1.4
117.03455	4.5
119.03526	5.7
119.05045	1.5
121.02947	2.1
123.04465	1.4
132.02170	3.0
133.02982	9.5
134.03757	61.8
135.04538	7.0
136.01634	2.6
137.02452	2.3
147.04536	10.0
148.05260	5.6
149.02409	1.5
149.06090	14.9
151.04010	2.5
153.05591	1.5
158.03741	3.5
159.04526	1.3
160.01669	19.8
161.02473	8.2
161.04590	3.0
162.03142	1.4
163.04019	1.4
163.07632	2.6
164.04799	1.8
173.06071	4.4
175.04008	31.0
176.04796	34.7
177.01962	7.2
177.05457	1.4
178.02730	8.6
179.05508	1.3
179.10960	1.2
184.67778	1.0
189.05695	1.3
191.07149	47.4
192.04323	5.4
192.07448	2.3
193.05067	70.7
194.05359	3.5
207.06638	17.8
217.04991	1.5
220.03842	7.7
227.07196	2.3
235.06129	100.0
236.06407	4.5
247.06230	1.1
253.05135	1.4
265.07153	17.7
268.12210	1.8
271.06021	2.7
285.12427	2.9
295.07837	8.2
295.10779	32.2
296.10944	1.9
316.84958	1.1
323.17090	1.1
328.69104	1.2
436.18787	2.8
454.19809	3.2
467.04849	1.2
471.15015	96.2
472.15335	10.0
472.21042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91958	1.0
57.03452	3.6
59.01387	75.6
60.86737	1.0
61.98840	5.0
64.85191	1.2
70.02613	2.4
70.03001	2.6
71.01375	5.7
75.00876	3.4
78.71739	1.1
83.01381	1.4
85.02962	3.5
87.00909	1.7
89.02464	2.9
93.03425	1.1
93.22298	1.0
96.96027	3.0
98.19846	1.2
101.02450	2.8
101.41247	1.2
108.02188	18.5
109.02977	13.3
113.02467	2.1
121.02954	2.1
123.04540	1.6
129.01930	1.9
134.03714	1.8
135.04547	2.8
136.07686	1.3
137.02454	2.8
138.05608	1.1
149.04475	1.5
151.04053	1.4
152.01173	20.1
153.01979	9.6
160.05222	1.7
161.02458	1.4
163.04037	2.1
165.01947	4.8
166.02263	2.6
175.03946	1.7
175.07594	2.1
176.04807	1.3
177.01949	4.9
177.09232	2.3
180.04285	2.8
187.07712	2.6
190.06392	3.8
192.04355	1.5
193.05054	3.9
194.05632	1.4
195.05078	8.0
195.06686	3.6
196.06963	2.9
197.07065	2.8
203.03679	1.3
204.04291	72.5
205.04695	2.3
205.08710	2.3
208.07263	2.0
219.06619	53.7
220.07019	2.5
223.09724	3.8
225.07742	1.7
234.05301	1.7
249.07697	100.0
249.11420	2.6
250.08147	5.3
275.09201	3.0
315.07156	4.3
357.08286	4.6
423.15726	1.7
453.10324	4.2
471.11087	27.9
472.11310	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	471.13
Annotation	Formononetin 7-O-(6''-acetylglcoside)
Peak:m/z	Relative Intensity
55.47611	0.9
55.48434	1.0
57.03454	1.5
59.01386	58.3
69.35419	9.2
70.61047	0.9
71.01395	10.2
71.05012	1.1
73.02943	4.2
77.96153	0.9
81.56854	1.1
81.72397	1.0
83.01377	3.1
85.02951	4.8
87.00865	2.8
87.27079	1.0
87.93663	1.2
89.02441	4.5
91.01915	1.4
94.20688	1.0
95.01442	1.1
98.20692	2.1
99.00893	4.5
99.04514	1.3
101.02464	6.1
110.14819	1.0
113.02464	4.0
125.02436	1.2
132.02184	4.2
144.07367	1.2
145.02899	1.7
145.45854	1.0
155.39995	1.0
161.04559	2.1
163.07530	1.2
195.04495	4.0
208.05315	2.0
223.04002	11.4
224.04704	3.1
236.04533	1.1
239.67998	1.2
249.14908	1.3
251.03522	7.2
251.07367	1.0
252.04295	69.0
253.04616	4.4
267.06638	100.0
268.06961	7.3
281.08185	1.5
389.32117	1.1
411.19937	1.7
429.21106	1.5
441.00677	0.9
470.73438	2.5
471.25781	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	471.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
59.01385	26.9
67.01891	0.7
68.99823	0.6
69.03455	0.9
69.39101	4.7
71.01387	31.4
72.99312	2.4
73.02937	3.1
75.00866	1.9
81.03483	1.4
83.01402	3.4
83.05029	4.9
85.02964	10.2
87.00874	2.6
89.02457	23.3
91.53639	0.5
95.01394	1.6
97.02959	0.9
98.20625	1.2
99.00887	3.9
101.02449	12.5
106.88123	0.5
109.02988	0.6
111.00903	2.7
111.04546	0.9
111.06898	3.3
112.98826	2.8
113.02455	12.0
115.00388	1.1
119.03515	9.3
125.02454	0.6
126.09261	25.2
128.10815	2.4
129.01962	5.1
129.05588	0.8
130.08763	1.2
131.03496	2.0
135.06641	8.3
142.99872	1.8
143.03513	2.2
144.06578	0.7
145.01425	1.6
149.04573	2.6
154.08800	0.7
159.02956	0.7
161.04578	5.3
169.72704	0.5
170.08253	1.2
172.06194	1.4
172.09801	3.3
173.00974	1.3
173.04535	3.4
173.06313	0.5
173.09225	0.9
173.10417	0.9
174.11365	13.5
179.05632	9.1
186.11311	0.9
191.01996	1.3
201.04045	1.1
203.14165	0.8
204.12427	100.0
205.12784	0.6
219.61171	0.6
223.51465	0.5
297.11923	48.6
298.12241	3.6
321.08145	0.7
393.10678	0.6
411.11407	1.9
452.19199	0.6
458.87939	0.6
471.13272	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	471.108
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12143	0.2
59.01384	10.0
61.58271	0.2
62.91180	0.2
71.01392	2.3
72.99329	0.4
73.02957	0.8
79.95744	2.5
80.07893	0.2
85.02960	0.9
87.00888	0.4
89.02460	1.1
93.82046	0.2
96.96021	100.0
99.04558	0.3
100.26157	0.2
101.02441	1.2
103.04028	0.5
107.77011	0.2
113.02480	0.8
115.00395	0.9
119.03466	0.5
122.06169	0.4
131.45486	0.3
132.04564	0.4
134.03761	0.7
135.04478	0.2
143.03555	0.2
149.02415	0.3
149.04625	0.3
152.07182	1.0
154.47974	0.2
161.02502	0.2
161.04587	0.5
163.03896	0.2
176.04788	0.2
190.05101	0.7
191.03485	0.3
191.07115	0.3
193.05089	0.5
205.12349	0.8
223.06319	0.3
230.04697	0.3
235.06172	0.6
249.14987	0.3
265.09378	0.7
272.74133	0.3
295.10620	0.4
303.08688	0.2
355.13049	1.8
395.12711	0.3
421.98093	0.2
436.18771	0.4
471.14990	1.3
471.22406	1.1
472.14926	0.4
472.21225	0.6
493.43274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.1
61.98838	100.0
69.10998	5.4
70.66117	13.0
82.67262	5.9
84.67155	5.5
89.22022	6.7
151.33493	5.7
186.27551	5.4
204.14996	6.0
281.31094	6.9
400.54660	5.6
407.18607	16.7
462.70377	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	470.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54270	4.2
59.01371	10.5
61.98537	8.0
61.98837	100.0
69.52126	16.5
69.52538	12.1
82.69164	3.9
109.11188	4.0
275.36652	4.7
407.18512	7.9
457.91736	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	470.182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52727	6.1
59.01382	20.9
59.77439	7.9
61.98846	47.1
62.60395	6.7
71.54198	6.4
71.54569	10.6
73.03255	7.1
116.56581	7.2
126.35823	7.4
135.04553	100.0
239.10753	12.9
240.11136	20.7
245.16827	7.1
248.28233	6.7
271.13498	8.6
289.14496	13.7
407.18768	57.2
410.20670	51.0
474.36301	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	470.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23668	1.0
59.01388	12.8
61.98837	100.0
63.36954	0.9
68.69589	1.0
70.85991	2.2
70.86333	1.2
81.69111	1.0
125.87336	1.1
136.85672	1.2
157.86349	2.7
160.84235	20.2
217.05070	2.7
218.05385	2.5
240.98322	0.9
407.18509	1.1
409.12915	1.3
410.13330	11.1
434.07285	7.9
470.19281	2.5
471.28372	4.7
471.33807	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	470.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
65.03956	1.3
71.01381	1.5
71.15076	0.9
74.74467	0.6
84.19225	0.7
92.45882	0.6
98.20059	0.6
101.02509	0.7
125.84010	0.6
126.09241	1.2
127.04020	1.2
154.08795	1.9
177.92598	0.6
186.11359	9.9
188.09355	3.3
218.13983	100.0
219.14293	4.8
331.04803	0.6
371.48178	0.6
408.95212	0.7
413.35925	0.6
421.69455	0.7
471.13193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51273	0.5
58.36480	0.6
59.01388	8.7
61.98837	5.8
66.77131	0.6
67.01882	0.9
69.50244	3.0
71.01387	5.9
73.02950	2.0
75.00877	1.1
80.30013	0.7
83.01392	0.9
85.02945	1.9
85.42971	0.6
87.00876	1.2
89.02441	5.1
96.96008	4.1
99.00890	1.6
101.02446	4.9
102.30759	0.6
108.02164	0.7
109.02962	1.8
109.73820	0.5
113.02461	2.6
117.01884	0.7
124.07690	0.6
131.03477	0.9
135.03049	0.6
136.01637	1.7
136.07693	0.7
137.02454	12.0
138.89964	0.5
149.04570	2.4
151.03992	1.6
161.04585	1.4
163.03987	0.9
164.01186	1.5
165.01945	77.6
166.02316	3.4
179.03519	13.9
180.04301	53.8
181.04817	2.2
194.05907	3.1
195.02945	2.2
195.06650	100.0
196.06982	4.3
210.05379	6.6
225.07709	32.3
226.08046	1.9
243.08743	3.0
270.09845	1.5
271.10019	0.8
273.07855	0.8
277.12906	2.5
331.08231	2.1
337.14780	0.7
341.10901	0.9
346.10678	1.5
361.13007	5.8
391.10278	0.6
409.17255	5.5
421.15057	14.9
422.15720	1.0
469.18359	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	470.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18299	0.7
53.07291	0.8
57.13245	0.8
59.01370	1.6
61.98836	100.0
62.80820	0.8
67.08065	0.9
67.40487	0.7
69.42419	2.7
69.42847	3.1
73.25385	0.7
100.12639	0.8
103.48592	0.9
177.01956	3.8
196.26091	0.9
227.11002	1.2
228.11232	2.3
275.02621	0.8
301.14444	9.0
302.14813	1.2
392.19418	1.8
407.18915	5.6
408.18716	1.3
410.20554	7.7
424.33231	0.9
470.34000	1.0
471.34824	1.7
497.78342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01722	0.9
68.46255	0.2
69.66344	0.4
69.66763	1.0
73.06762	0.3
80.49178	0.2
100.85540	0.2
100.93594	0.2
104.42796	0.3
123.04527	1.7
148.09935	0.2
157.06589	3.2
165.01985	0.3
175.07649	0.5
177.01990	1.0
185.06216	0.3
191.03606	0.3
192.04407	0.8
201.05583	4.9
201.07304	0.4
202.06004	0.6
207.06697	0.8
213.88712	0.2
219.06569	0.4
221.12044	0.3
226.50458	0.2
265.10916	0.4
351.09106	0.4
354.04483	0.3
365.10516	0.3
377.10431	0.5
379.08270	2.3
393.09869	0.4
394.10727	1.2
409.12939	17.9
410.13235	2.3
469.15012	4.1
470.15598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01383	8.6
61.98834	21.2
62.46436	0.8
67.01908	0.9
70.31477	2.6
71.01379	3.4
73.02936	1.1
75.00878	2.5
85.02907	1.9
87.00871	1.0
89.02451	1.3
96.96027	1.6
98.20699	0.9
99.00858	1.4
101.02423	2.2
109.02954	1.5
113.02460	1.2
126.01815	0.8
137.02443	14.1
150.03255	0.9
151.03867	0.9
163.07698	1.1
164.01154	1.7
165.01941	82.7
166.02432	2.4
175.03966	1.4
177.04085	0.9
179.03523	13.2
180.04295	54.2
181.04721	2.9
193.15469	0.8
194.05801	2.3
195.06636	100.0
196.06978	5.2
210.05331	6.1
221.08179	1.1
225.07704	34.2
226.08023	2.9
243.08742	3.1
265.06979	1.1
271.06082	1.2
273.07675	1.9
321.15475	1.7
331.08197	2.7
346.10477	1.4
361.12982	6.6
374.21484	0.9
409.16766	0.9
421.15076	13.7
422.15338	1.6
469.17795	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	468.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01386	19.5
60.01717	2.2
61.01815	1.9
61.98837	100.0
65.56260	0.5
69.42808	3.1
69.43215	1.1
71.01385	8.4
72.99327	1.8
73.02959	1.9
75.00889	1.0
76.60800	0.6
81.53215	0.6
85.02972	2.5
87.00887	1.0
89.02455	8.6
91.02889	1.2
96.96018	5.4
98.20702	1.3
99.00900	1.2
101.02453	4.8
104.54681	0.5
113.02476	2.7
119.03544	0.8
119.05025	0.9
131.03503	1.7
135.04564	0.9
137.02472	3.3
137.06068	0.8
149.04564	5.4
161.04533	1.2
165.01949	15.7
175.09830	0.8
179.03519	2.5
179.05458	0.7
180.04306	9.6
191.05679	1.1
193.04915	0.6
195.04887	1.3
195.06636	20.4
210.05373	1.6
217.04994	0.8
218.05605	0.6
225.07692	7.0
243.08737	1.7
244.06964	1.4
251.11395	0.7
255.65163	0.7
270.09967	1.5
277.12939	1.3
304.28662	0.6
305.06808	1.5
306.06836	2.9
361.13037	1.5
382.81979	0.8
408.22275	1.0
409.17288	3.3
421.14868	3.0
468.12271	2.0
468.18668	1.3
469.18738	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	469.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	93.5
60.01735	0.9
61.98839	2.1
62.05761	0.5
65.00323	10.3
70.85794	1.1
70.86165	1.2
79.05538	3.4
89.16917	0.6
94.82940	0.5
96.96014	1.3
103.05550	3.3
105.07130	1.7
107.05012	3.4
111.00915	2.6
129.07108	2.2
131.05057	4.6
135.04495	1.0
137.02408	0.7
145.06656	1.0
147.04530	0.8
149.06078	10.5
160.84189	1.7
161.02460	4.1
163.00389	0.9
173.06082	11.0
175.04054	1.6
177.01886	0.8
187.00372	1.3
189.05600	0.8
190.06346	0.8
191.07185	2.1
199.04089	0.9
203.03499	1.7
217.05070	37.1
218.05479	3.2
243.06477	0.7
307.10068	0.8
333.07666	1.0
335.09259	1.8
344.98123	0.7
351.08786	1.9
361.07236	2.2
379.08237	13.7
379.12729	1.2
380.08618	1.8
393.10077	1.6
394.10620	5.8
395.11020	0.8
409.12949	100.0
410.13211	11.2
413.33508	0.7
469.14987	6.9
469.33133	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34770	0.6
59.01384	11.2
60.01721	0.8
61.98836	100.0
69.22559	5.7
71.01395	6.1
73.02948	0.7
83.01402	0.8
85.02974	1.4
87.00857	0.5
89.02458	4.5
90.02750	0.6
96.96024	1.9
101.02447	4.1
113.02505	1.6
137.02457	0.9
149.04579	2.1
149.14198	0.6
156.03905	0.6
161.02464	0.6
161.04578	1.1
163.07628	0.6
165.01938	4.1
180.04349	3.0
180.07893	0.6
195.06638	6.6
225.07724	2.7
271.45157	0.6
321.15601	1.9
337.18652	0.7
394.93503	0.7
407.22165	0.6
408.22977	1.9
409.17365	0.8
431.16000	0.7
432.16266	0.9
468.17581	1.0
469.19043	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	468.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40697	0.9
59.01383	20.9
60.01719	2.4
61.01810	2.6
61.98836	100.0
69.20778	8.5
71.01393	5.2
73.02960	0.8
77.39224	0.8
83.80420	0.9
84.32478	0.7
85.02974	0.9
89.02437	3.2
98.19850	1.7
99.00917	1.2
101.02456	1.6
113.02432	1.7
119.03483	0.8
120.21667	0.9
137.02452	4.0
137.60176	0.7
161.02457	1.7
165.01945	23.6
179.03531	4.9
180.04285	16.0
194.05849	1.1
195.04839	1.6
195.06631	32.3
198.09174	1.0
209.63034	0.9
210.05382	1.7
225.07693	11.0
253.04648	0.8
321.15552	1.1
361.12888	1.6
421.14972	3.9
445.43127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.7
61.98819	1.1
68.69193	1.1
70.02824	4.7
71.01392	5.1
73.02943	2.0
83.90767	1.1
85.02957	3.0
89.02461	2.0
96.96053	1.5
101.02431	2.6
104.05108	1.3
107.03772	1.0
113.02465	1.8
119.03492	1.0
121.02960	1.5
122.06145	3.9
124.07714	2.6
131.03622	1.1
132.04555	5.7
132.37662	1.0
133.05321	2.0
134.06123	3.0
138.05603	2.6
146.06049	1.2
148.04016	2.0
149.06055	1.4
152.07211	1.3
160.04030	1.2
161.04793	1.3
165.04269	2.6
168.85934	1.2
193.03679	1.3
200.07196	1.7
212.07191	1.1
212.10806	3.9
213.06703	3.9
214.12395	4.5
215.11917	2.0
225.06616	1.8
227.08182	5.5
228.06792	5.1
228.10248	1.5
230.11885	1.2
239.08257	17.5
240.08575	1.6
241.09766	3.8
242.08252	2.2
243.08138	1.2
253.09859	4.8
254.10672	6.8
255.11351	6.5
256.09839	5.9
257.10471	1.7
257.12964	3.7
258.11401	8.2
267.07751	6.3
267.10791	1.4
269.09396	1.6
271.07175	1.4
281.09299	5.1
282.10068	2.8
283.10846	4.8
294.18524	1.8
314.09076	4.0
337.19119	4.0
363.16937	2.7
381.18512	5.2
390.14444	1.5
396.13315	1.5
406.17719	15.8
407.17789	1.9
425.17355	10.5
432.15628	2.0
436.09552	1.4
450.16727	100.0
451.17041	12.6
468.17743	44.0
468.24454	1.8
469.18335	6.1
469.24088	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	468.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62786	0.4
59.01385	26.6
60.01723	3.2
61.01812	2.6
61.98835	100.0
63.21385	0.4
68.69679	0.4
71.01385	3.3
71.02745	0.6
71.03068	0.5
73.02945	0.7
75.00894	0.5
79.95705	0.5
83.01428	0.7
84.30944	0.5
85.02959	1.0
89.02440	3.5
90.02795	0.7
96.96027	2.7
101.02460	3.1
113.02460	1.4
114.05649	0.5
119.03510	1.0
124.00782	0.7
132.36546	0.5
137.02493	2.0
143.03526	0.5
151.75961	0.5
161.02434	0.5
161.04605	0.8
165.01945	10.9
165.03293	0.8
179.03586	1.4
179.05661	0.7
180.04276	6.2
195.06651	12.0
195.08366	0.9
210.05429	0.6
212.42694	0.5
225.07721	4.9
243.08702	0.7
251.03424	0.8
276.59024	0.6
307.09830	1.5
361.13043	0.7
366.26077	0.5
408.23077	2.0
421.15277	1.9
468.18082	0.7
469.08917	0.6
469.14920	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	468.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
57.03445	0.6
59.01387	6.4
60.01719	0.5
61.01806	0.3
61.16615	0.3
61.98840	9.9
70.99518	0.5
70.99850	0.3
71.01391	2.4
72.99318	0.5
73.02950	0.8
75.00871	1.1
83.01411	0.4
85.02975	1.8
87.00903	0.5
89.02459	1.9
90.02751	0.4
90.94485	0.3
96.96026	0.8
99.00894	0.8
101.02450	1.4
108.02187	5.5
111.00935	0.4
113.02466	1.5
114.02867	0.4
114.05605	0.9
117.05589	0.5
123.03292	0.3
125.02480	0.4
137.02464	0.5
138.01990	100.0
138.05524	1.7
139.02330	2.8
149.04613	0.4
160.01726	0.4
161.04604	0.4
163.06155	0.5
164.03531	0.4
165.01962	0.4
175.03987	0.6
182.86748	0.3
188.04898	0.4
195.05104	0.4
221.08305	0.4
225.07896	0.3
250.06416	0.4
288.14664	0.4
293.08942	0.3
321.15350	0.4
321.56549	0.3
383.37799	0.3
383.42609	0.4
409.13629	0.3
410.13702	0.5
432.15714	1.4
468.09067	2.9
468.17633	2.4
469.19159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54099	0.5
57.03452	1.0
58.00600	0.6
58.94877	0.4
59.01386	100.0
60.01720	1.4
61.98827	4.4
64.11768	0.5
69.50694	3.8
71.01389	10.5
72.99340	0.9
73.02969	0.9
75.93014	0.5
83.01440	0.6
85.02949	2.6
87.00895	0.9
89.02454	14.3
95.01431	1.1
96.96039	1.0
101.02457	7.4
113.02458	4.5
119.03525	5.1
125.02586	0.6
131.03548	1.0
135.94435	0.5
143.03563	1.8
149.04596	0.5
153.09247	0.8
157.43459	0.6
161.04578	3.2
175.12120	0.5
179.05637	5.7
234.13695	0.5
245.17657	2.6
269.48392	0.5
273.33008	0.5
407.22873	15.0
408.23431	1.4
467.17538	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	467.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.6
59.01385	100.0
60.01720	1.1
60.28027	0.5
61.98828	4.0
70.74849	1.5
71.01391	10.3
72.09151	0.6
72.99348	0.7
73.02956	1.5
85.02959	2.6
87.00871	0.9
89.02453	14.9
90.02829	0.6
95.01411	1.1
99.00882	0.7
101.02461	7.8
107.66918	0.6
108.55198	0.5
113.02453	4.7
119.03503	6.4
131.03548	1.3
134.87923	0.6
139.45824	0.5
139.56618	0.5
140.68819	0.5
143.03574	1.4
149.04611	1.3
161.04582	3.8
179.05606	4.8
179.06758	0.5
187.11201	0.6
245.17595	3.5
293.12604	0.6
396.69266	0.5
407.22867	15.2
408.23340	2.0
467.17096	1.4
467.25824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33302	0.4
52.94400	0.4
54.08509	0.4
55.01903	0.7
56.15787	0.3
57.03452	0.7
58.00599	1.2
59.01385	26.6
69.31158	1.0
69.31565	2.9
70.15589	0.4
71.01387	13.9
72.99310	1.2
73.02968	1.2
83.01418	1.3
85.02956	3.2
87.00909	1.0
89.02457	12.2
89.73049	0.4
95.01415	1.5
99.00903	0.9
101.02454	11.2
101.03113	0.7
109.90071	0.4
113.02458	4.9
119.03522	4.1
155.09587	0.8
155.10796	10.9
173.11824	12.2
192.38643	0.4
227.13329	0.5
300.02655	0.6
304.06851	0.6
317.16443	0.5
319.20999	0.5
335.17130	100.0
336.17477	7.9
345.12875	0.4
349.18665	0.5
357.15674	0.4
417.10135	0.4
421.49423	0.4
446.03595	0.4
467.21313	25.1
468.21530	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	467.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34480	0.7
57.03431	1.5
59.01387	100.0
60.01712	1.9
69.03450	1.4
70.20609	0.7
71.01392	35.7
71.55563	0.8
72.01720	0.9
72.99316	1.4
73.02955	55.5
75.00874	1.3
83.01400	15.4
85.02946	4.5
87.00882	0.9
89.02462	6.5
95.01422	1.3
97.02937	1.4
101.02458	41.8
102.02781	0.8
113.02464	11.8
114.61299	0.8
119.03505	3.0
125.02419	2.2
131.03531	4.5
137.02345	0.8
137.09758	1.1
139.00343	0.9
143.03526	2.6
148.78143	0.9
149.04567	3.7
155.03477	1.6
161.04608	9.0
168.00209	0.7
175.03993	0.8
185.13400	1.6
201.16512	51.8
202.16798	4.6
203.05580	1.1
245.15459	3.3
467.23065	10.5
467.29568	1.8
468.23175	1.5
487.48132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00378	0.5
51.28106	0.5
59.01389	0.8
61.61888	0.5
61.98836	0.9
63.40349	0.5
69.33533	4.7
81.03471	0.6
82.89018	0.5
83.05042	2.9
93.03477	0.9
107.05067	3.4
119.05044	1.0
122.03757	0.7
123.08193	1.6
135.04549	13.7
144.07719	0.6
157.06615	1.2
167.56761	0.7
171.08183	1.0
173.09747	1.3
209.09799	0.8
209.11621	0.6
212.08264	0.6
213.09219	3.5
225.09224	7.6
226.10005	8.2
227.10596	1.1
237.09221	1.3
239.10767	0.8
249.12704	0.9
251.14404	2.4
263.14557	1.0
265.08676	3.1
277.16040	3.0
295.17001	12.4
296.17300	1.6
320.14087	0.7
321.15134	0.9
321.18597	2.5
347.20178	2.1
349.95233	0.6
365.21219	8.7
391.19186	39.5
392.19580	4.1
405.17181	0.9
407.18787	1.6
409.20224	100.0
410.20535	13.2
431.17117	1.9
439.16968	0.7
467.15778	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	467.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45778	0.6
50.79734	0.5
54.66893	0.6
55.01895	0.6
59.01373	1.7
65.67477	0.6
67.07497	0.5
71.55428	1.0
78.95882	0.8
90.14079	0.6
93.03469	0.9
95.05025	0.7
96.77640	0.6
96.95998	0.6
105.03476	2.0
107.05016	1.8
121.02967	1.2
135.04543	3.9
136.05322	12.5
139.04054	0.9
151.04037	1.2
161.02489	0.6
169.06601	0.6
171.08185	1.3
177.02032	0.7
183.08131	2.2
209.09723	0.7
212.08424	3.9
213.09190	1.8
223.13872	0.6
225.09218	11.7
226.09996	3.8
227.10794	52.5
228.11061	3.8
237.09244	1.5
238.09969	0.8
239.20110	1.0
251.07185	1.4
252.07791	0.8
253.08678	2.6
255.10320	1.7
263.10745	0.9
269.08237	0.6
270.08963	2.0
271.09885	0.9
299.09265	7.1
301.14529	1.9
329.18832	0.6
345.18353	0.6
347.20145	7.3
348.20441	1.3
373.18024	3.2
391.19113	8.6
407.18497	1.8
409.20218	100.0
410.20581	11.4
437.77707	0.7
465.56610	0.7
467.15503	1.6
467.21405	2.1
467.31641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98828	28.0
69.49046	56.5
71.01389	11.4
75.00881	88.6
85.02959	14.0
87.00890	23.7
96.96008	13.5
98.19931	17.5
106.22231	8.3
109.42926	8.0
110.69545	8.7
116.33534	8.9
117.94644	10.6
161.02437	14.2
174.42091	9.1
294.63077	8.9
409.12646	16.3
421.89163	9.7
425.13812	12.6
467.17761	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	467.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.1
69.17881	0.4
69.56415	2.8
79.23774	0.5
93.03465	1.3
96.96073	0.5
107.05048	2.4
108.61011	0.5
121.02965	0.8
122.03751	0.8
134.03761	0.7
135.04539	9.0
137.02402	0.8
149.02417	0.5
157.06563	0.8
159.08281	0.7
161.02370	0.6
171.08202	1.0
173.06079	1.7
175.07651	0.8
177.09227	0.6
183.08086	1.1
195.08093	0.7
197.09654	0.6
201.05574	1.1
211.07648	2.8
212.08459	1.4
213.09192	3.6
223.07568	0.5
225.09213	18.4
226.09956	6.2
236.22977	0.4
237.09227	4.1
238.09984	1.8
239.10510	0.7
251.07143	0.7
256.07498	3.2
263.10861	0.9
263.14301	0.6
265.12308	2.1
279.13931	1.0
281.08182	0.7
291.10455	2.4
292.11102	0.8
305.11884	1.5
307.17017	9.4
308.17291	0.7
309.11188	0.7
321.18674	0.8
329.19052	1.0
345.18610	1.4
347.20172	9.7
348.20496	0.9
365.21097	2.8
373.18103	7.0
374.18430	0.8
391.19183	12.1
392.19565	1.2
407.18683	1.1
409.20215	100.0
410.20563	11.1
431.17139	1.4
435.14639	1.0
459.97235	0.5
467.16080	6.5
468.15939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01698	9.9
61.01811	5.9
61.98836	63.9
69.50941	33.1
69.51362	7.8
71.01392	61.8
72.99318	14.8
73.02939	10.2
85.02958	14.0
85.98052	5.9
89.02451	58.3
96.96043	7.4
97.24048	5.3
99.00894	10.2
101.02444	20.5
108.02187	5.3
113.02492	13.9
115.39318	6.3
115.43978	5.7
119.03537	10.5
119.05011	7.6
122.04294	6.5
125.02504	28.8
131.03531	10.4
137.06065	17.2
149.04579	22.1
151.00354	8.2
151.03963	6.3
167.35924	5.7
175.78564	5.7
179.05716	9.7
191.05775	9.5
201.82137	5.9
205.77571	5.8
233.06711	15.2
243.06635	15.5
293.08801	80.9
294.09128	8.6
331.06787	7.6
384.45688	6.2
431.15619	24.5
467.13470	49.9
468.13351	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	466.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14021	0.4
59.01386	2.1
71.01361	0.8
72.92924	0.4
82.64515	0.4
85.02971	1.0
89.02431	0.5
92.37842	0.4
94.06629	2.6
104.05062	0.6
106.06629	2.3
107.03792	2.8
120.04588	0.6
121.05379	0.5
122.06134	21.8
123.06467	0.7
124.07703	4.2
132.04573	11.8
133.05362	6.8
134.03824	0.5
134.06136	5.7
135.06950	0.5
136.07652	0.6
138.05614	0.8
139.02792	0.7
144.31360	0.5
146.06120	2.1
149.04813	0.5
150.05664	0.5
152.07185	46.8
153.07504	1.2
158.06160	0.5
162.05620	0.4
164.03584	0.6
165.04297	6.3
166.05067	1.1
167.05913	0.8
173.04526	0.6
178.02643	0.6
179.08173	0.4
186.09268	0.9
191.02016	0.5
198.09186	0.9
213.06664	1.0
214.12440	2.4
215.11826	2.8
223.08698	0.9
226.07458	0.6
226.12415	2.3
227.08192	0.8
227.11975	0.6
229.09828	1.6
239.08363	0.5
239.11870	3.5
241.09859	2.2
251.11935	0.7
253.09904	1.1
254.10686	0.8
257.12949	20.0
258.13226	1.8
265.09805	0.6
267.11420	2.0
269.12970	8.2
270.13504	1.3
279.11417	1.5
281.13007	0.6
283.10831	1.7
289.12006	1.0
290.12247	1.7
297.12408	7.6
298.13193	3.4
301.11935	1.5
302.12686	2.5
330.12289	3.4
334.11243	0.6
372.59299	0.5
394.21371	1.5
422.20972	6.1
423.21182	1.3
438.20236	2.5
448.18454	1.9
466.19849	100.0
467.20221	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46223	0.5
57.03469	0.6
59.01384	100.0
60.01719	1.2
60.42534	0.6
61.98836	6.6
62.49758	0.5
69.27631	5.1
71.01388	7.6
72.99313	0.7
73.02962	0.6
74.08113	0.5
75.52808	0.6
75.93047	0.5
85.02976	2.1
87.04595	0.7
89.02453	10.5
99.04550	0.9
101.02442	5.6
103.43163	0.5
111.73823	0.5
113.02441	4.5
119.03498	5.4
130.50912	0.5
131.03619	0.5
143.03523	1.0
145.05112	1.8
149.04596	0.8
153.09279	0.8
161.04555	2.8
179.05629	4.0
243.16104	0.9
285.13568	0.9
333.15405	0.6
405.21335	15.7
405.26349	1.0
406.21878	0.6
418.64694	0.6
465.18857	0.8
465.24274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24312	0.7
53.97320	0.6
57.03444	0.6
59.01385	60.8
60.01720	6.8
61.01812	1.1
61.98837	100.0
66.06944	0.6
69.25039	5.7
71.01388	11.4
72.01736	0.9
72.99323	1.5
73.02955	2.2
75.00884	0.8
78.76675	0.5
85.02972	3.0
87.00892	1.3
89.02454	12.9
89.03009	0.6
90.02830	1.7
95.01369	0.7
96.96043	1.3
99.00895	1.8
101.02474	5.7
102.02814	0.9
112.57281	0.6
113.02468	4.9
114.02801	0.8
119.03530	3.8
119.04978	0.6
120.03932	0.7
125.02464	1.3
131.03558	1.8
137.06256	0.7
143.03557	0.6
149.04593	2.4
154.02229	0.7
161.04654	1.5
166.05099	1.3
179.05605	3.0
191.05775	0.6
202.10849	0.6
287.15909	0.7
305.06967	0.9
343.14841	0.6
384.08960	0.6
405.21756	0.9
406.21536	3.5
407.23001	0.7
466.23920	1.2
467.17145	1.0
467.22131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
60.29577	1.0
65.27376	0.9
65.50991	0.9
98.51979	1.1
107.05060	3.5
135.04491	1.3
149.02461	1.6
149.06059	1.7
169.70155	1.0
188.08412	1.4
225.09229	37.0
226.09798	5.1
237.09236	2.4
239.10753	3.0
241.12413	2.1
279.13947	22.2
280.14249	2.1
363.23349	36.1
364.23630	5.3
407.22284	100.0
408.22601	11.0
465.18143	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
57.24687	0.4
58.00600	0.5
59.01385	100.0
60.01704	0.9
61.98860	0.8
64.90477	0.4
66.43047	0.4
69.48275	1.7
69.48693	1.4
71.01390	8.0
72.99322	0.5
73.02952	0.8
77.03532	0.4
83.01392	0.6
85.02953	1.3
89.02452	12.6
94.43414	0.4
101.02451	6.3
105.02847	0.5
112.44489	0.4
113.02444	3.9
118.20324	0.5
119.03504	5.5
124.21902	0.4
126.30521	0.5
131.03529	0.7
143.03511	1.5
161.04526	2.2
166.05040	0.7
167.10768	0.7
179.05617	3.3
182.23016	0.5
234.06581	0.4
361.99200	0.4
368.61948	0.4
405.21289	5.5
406.21622	1.0
465.16635	0.4
465.23752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.2
60.54709	0.4
61.98810	0.8
63.85029	0.6
67.01884	0.7
69.89036	1.0
69.89446	1.6
71.22956	0.4
71.27636	0.4
78.83907	0.5
84.90793	0.4
86.05327	0.5
96.96030	0.6
98.20051	0.8
104.84954	0.4
116.87877	0.4
121.02917	1.2
169.06589	0.9
172.91853	0.5
179.08679	3.0
196.08897	0.7
209.06084	0.8
210.06827	1.1
211.07619	3.1
221.06003	0.6
223.07658	31.5
224.08350	6.6
225.09161	2.2
234.06819	0.5
235.07655	2.2
237.09277	2.3
238.06499	0.6
245.06203	0.6
246.06772	0.8
251.07187	1.4
256.07501	2.4
261.05713	0.7
263.07138	9.3
264.07718	3.2
275.14578	0.6
277.12372	0.6
279.13916	1.2
283.11096	0.7
289.08603	1.4
293.15536	7.2
294.16080	0.6
300.11453	0.9
301.12335	1.6
303.10324	1.4
304.10776	0.9
305.11880	0.9
305.15521	1.1
317.11865	1.4
318.12549	4.1
319.13373	4.4
320.13699	0.7
342.00009	0.5
345.18594	1.3
361.18100	1.5
363.15717	0.4
363.19678	15.6
364.19952	1.8
389.17621	16.9
390.18112	2.3
407.18643	100.0
408.18997	12.4
429.15512	1.4
465.14224	3.9
466.14496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02703	1.2
58.66409	1.0
59.01162	1.1
59.01391	12.2
68.20608	1.2
71.01378	2.5
71.54564	1.2
71.54968	1.5
71.59574	1.0
77.04041	1.1
96.96020	2.0
158.49091	1.2
160.83076	1.2
169.06625	1.3
179.08611	3.4
180.44362	1.2
211.07600	3.1
223.05455	1.8
223.07658	35.1
224.08315	6.7
235.07602	4.3
237.09250	2.0
241.05156	2.6
246.10718	1.1
249.05623	1.1
254.06102	1.2
261.09186	1.7
263.10910	2.4
275.07132	2.9
282.70477	1.3
285.05682	1.4
289.08667	4.3
297.04062	1.9
305.15631	6.1
312.06454	6.7
322.08740	2.3
325.03528	2.1
331.13342	3.0
345.14871	1.5
345.18542	8.0
363.19620	5.8
371.16461	1.4
389.17740	8.0
407.18661	100.0
408.18979	12.2
429.15228	2.1
433.09662	1.1
465.14682	6.8
466.00394	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	465.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	18.8
61.98850	1.6
62.96412	3.8
64.34010	0.6
69.31933	4.0
69.32355	1.4
71.01373	0.9
72.80688	0.7
78.95914	4.7
83.05036	15.1
87.17047	0.6
95.05042	2.4
96.96004	0.9
98.19932	1.2
107.05030	2.8
110.98637	0.7
119.05048	1.2
121.02962	1.1
121.06578	0.8
122.03751	1.8
123.08163	1.5
133.06610	1.5
134.03729	0.6
135.04523	3.6
135.08154	1.3
136.05287	1.0
148.01726	0.6
149.02501	1.1
151.03909	0.7
157.06564	1.5
159.04486	0.9
161.02428	0.8
163.03926	1.0
169.06625	1.5
171.08170	1.4
171.10182	0.8
173.06042	0.8
175.04025	1.1
176.08446	0.7
177.17502	0.6
183.08206	1.1
185.09778	0.8
191.03525	2.0
195.08018	0.9
197.00426	3.9
197.09656	1.4
203.07161	1.9
209.09828	0.8
211.07614	0.7
213.09229	14.2
214.09509	1.7
223.07738	1.4
223.11201	0.8
225.09256	6.4
226.09840	2.1
227.10820	2.5
235.11250	1.9
236.08307	0.7
237.09328	1.0
239.10829	1.1
239.20209	1.0
241.08704	1.1
241.12386	0.9
249.12927	0.8
253.08601	1.0
261.12939	2.0
267.13901	7.0
276.98593	0.7
279.13885	5.5
287.13116	0.8
293.15649	0.9
297.24295	3.7
306.16068	0.7
315.16049	7.2
319.16962	1.8
345.18549	1.9
363.19760	1.6
389.17603	36.8
390.17899	5.0
401.15829	0.7
407.18649	100.0
408.18991	12.1
421.19946	3.9
422.20941	0.8
437.19699	0.7
465.13382	6.1
465.19397	2.5
465.27246	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1059
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
50.58141	0.4
57.03453	2.6
58.00613	1.2
59.01384	17.9
61.98834	1.8
63.02384	1.0
65.00330	17.0
70.21940	1.2
70.22332	0.9
71.01382	8.2
72.99326	0.9
73.02956	2.1
75.00881	2.5
77.14993	0.5
78.91890	0.6
81.03488	0.5
83.01391	6.9
85.02974	2.4
87.00887	1.1
89.02449	6.3
95.01391	0.9
96.95992	1.0
99.00889	1.5
99.04517	0.6
101.02448	4.8
105.03533	0.8
107.01395	21.0
108.99323	0.5
109.02978	1.9
111.00890	0.7
113.02458	4.2
117.01926	0.5
119.03507	2.2
121.02978	1.0
122.03735	0.8
123.00874	0.6
123.04542	10.8
124.01674	1.1
125.02462	10.2
133.02983	3.9
135.04517	2.5
136.01692	0.6
137.02509	0.7
141.09216	0.5
143.03479	0.7
147.06416	0.9
148.07755	0.5
149.02480	1.5
149.04575	1.6
150.03250	8.9
151.00383	100.0
151.04007	22.4
152.01120	5.2
152.04379	0.8
153.01863	0.6
159.03101	0.5
159.04517	0.5
161.02403	0.5
161.04575	1.3
163.04132	0.7
165.01881	0.5
167.03529	0.7
169.01460	1.7
169.12228	0.6
171.04486	0.8
171.10292	0.6
174.03253	0.9
174.05528	0.6
175.04024	1.9
176.01201	0.8
177.01912	1.8
178.99861	5.6
179.05606	0.8
185.06041	1.0
187.04128	0.5
191.05661	0.6
195.04668	0.5
199.04066	2.0
201.02068	0.8
204.06573	0.6
210.12123	0.7
213.05598	1.2
215.03603	0.6
215.12927	0.8
217.05141	1.4
241.05067	1.5
243.16026	1.4
249.06163	1.4
257.04416	1.2
259.06302	0.9
273.07767	0.9
275.10791	0.5
285.04071	51.5
286.04373	4.7
302.04355	1.2
303.05136	2.4
303.08829	1.7
313.09323	1.8
317.19489	0.6
321.15619	2.4
333.15500	2.8
333.19049	1.0
339.07275	3.7
345.09702	0.6
347.17117	1.0
373.14032	1.0
374.14487	2.1
375.14624	4.2
405.16223	1.0
405.21289	3.9
421.16028	0.9
447.09021	0.8
465.10364	13.4
465.19586	8.8
465.27042	1.3
466.10748	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	465.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
59.01116	1.3
59.01389	17.1
67.88912	1.2
68.49250	1.3
71.01389	7.8
71.54464	1.3
71.54815	1.3
72.99316	1.5
73.02951	1.8
75.00878	1.9
81.70848	1.2
85.02950	3.2
87.00887	7.6
89.02469	3.7
97.12220	1.4
101.02430	4.6
113.02470	2.3
119.03531	1.7
132.02162	1.6
137.02492	1.6
138.60384	1.2
149.39421	1.3
153.12819	1.9
160.67667	1.2
172.57654	1.2
185.06107	2.0
191.07130	1.9
197.11880	1.5
198.12337	1.5
201.09177	1.7
213.09282	1.7
214.06381	3.0
214.09589	3.5
215.12912	2.5
216.10033	1.4
223.04022	2.5
229.08733	3.2
251.03447	2.6
252.01651	1.9
252.04294	32.8
253.04497	2.8
267.06635	100.0
268.06833	5.7
271.13406	5.1
273.07739	4.1
281.54584	1.4
285.20642	2.2
303.21783	3.0
315.15915	2.8
325.14438	1.9
447.16452	11.2
464.25955	1.7
465.17682	20.5
465.26807	16.2
466.18597	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	464.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21675	0.9
57.25805	0.8
59.01386	34.7
60.01717	1.5
61.98836	100.0
69.13567	0.9
70.01438	0.9
71.01389	3.7
71.55186	1.2
73.02958	2.1
73.11705	1.0
75.00887	1.7
77.42828	0.8
78.95913	7.7
83.01394	1.0
83.05010	0.8
85.02959	1.7
87.00883	2.6
89.02454	2.9
101.02450	1.8
107.05034	1.0
109.06568	1.8
113.02518	1.4
119.03519	1.2
122.03755	2.0
125.02391	1.0
127.25211	0.9
130.99979	0.9
147.04622	1.3
153.26402	0.9
154.20979	0.8
175.07643	2.4
211.13396	0.9
211.89066	0.9
213.65047	0.8
219.06577	2.7
245.04561	1.8
255.02841	1.4
256.03317	1.4
257.87344	1.0
272.02701	1.6
300.02621	2.7
301.03043	6.8
302.03683	2.4
332.25223	1.0
420.28976	1.5
421.12802	1.1
463.33041	1.0
464.08994	4.9
464.26721	3.6
465.17273	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	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66690	0.5
57.03461	1.5
58.00592	0.9
59.01384	42.4
60.01729	1.5
60.91589	0.5
61.98838	2.0
69.93294	2.5
71.01389	16.7
72.01729	1.2
72.99333	1.7
73.02956	4.6
75.00887	0.7
76.80739	0.5
81.03454	0.6
83.01392	1.9
84.04539	0.6
85.02966	5.4
87.00901	2.1
89.02451	19.3
90.02802	0.8
93.03436	0.8
94.03047	0.6
95.01414	0.9
95.05021	0.9
96.08251	0.6
96.96026	2.5
97.01724	0.6
97.02947	0.7
97.06628	0.8
99.00890	1.5
99.04520	1.0
101.02446	9.1
109.02950	1.1
110.02478	2.1
110.03185	0.5
112.04052	7.1
113.02445	7.1
115.00367	1.3
119.03510	5.5
122.06145	1.3
123.04533	0.9
124.04058	4.7
124.07694	4.9
125.02450	4.4
126.05585	0.6
127.07623	0.5
129.01953	0.7
129.05661	0.6
131.03554	1.5
135.00890	0.6
135.04530	1.6
135.06650	2.1
137.02484	0.6
137.04834	2.0
138.05531	0.7
140.07176	1.6
143.03514	1.1
149.02533	0.7
149.04561	2.1
151.00340	1.3
152.07184	75.9
153.05655	0.6
153.07530	2.8
161.04568	2.6
166.05104	100.0
167.05484	3.7
167.10887	0.8
169.03792	0.6
171.06618	0.9
173.04552	1.3
175.02501	1.9
177.01956	1.2
179.05687	3.8
184.06145	8.5
191.05574	0.9
204.06740	0.5
223.09760	1.1
241.14394	0.8
267.07086	0.5
273.04010	1.5
283.11914	1.0
284.12170	2.8
285.03955	0.9
285.13397	0.8
293.08917	1.0
297.11932	3.9
303.05115	2.3
309.11801	1.1
404.19611	0.7
405.21262	6.1
464.17938	6.1
465.10193	1.3
465.15390	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	464.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.9
58.00598	1.8
59.00937	0.5
59.01385	13.6
61.98836	100.0
69.37958	3.9
71.01398	4.5
73.02974	1.4
75.00882	0.8
75.20284	0.5
75.91447	0.6
78.91904	0.6
85.02964	2.0
89.02449	3.4
95.05039	0.5
96.79719	0.6
98.20689	1.1
99.00932	0.6
99.04518	0.6
101.02475	2.6
110.80328	0.5
113.02464	2.3
114.58218	0.6
119.03519	1.5
119.11256	0.5
129.31238	0.5
133.76575	0.5
146.06151	1.2
149.08134	0.8
160.04085	0.6
161.04807	4.9
162.05173	3.8
163.05917	1.0
193.03781	2.7
194.04225	1.5
204.06610	0.9
205.07138	1.0
217.86317	0.6
243.16035	0.7
259.09875	0.7
272.14926	1.1
283.10925	5.2
284.11215	12.8
285.11526	0.6
303.08972	1.0
330.15570	2.1
333.15622	0.7
344.13449	0.6
373.14163	2.0
374.14383	10.5
386.14392	1.6
404.15628	1.1
405.21445	2.2
451.72906	0.5
464.17535	5.7
465.19626	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	463.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.9
55.62609	0.6
57.03443	2.4
58.00599	1.7
59.01387	43.4
69.59966	0.6
69.84781	2.2
71.01389	15.6
71.05025	1.1
72.55025	0.5
72.99319	8.2
73.02956	4.0
73.30568	0.6
75.00884	1.8
81.95283	0.6
83.01395	2.2
83.05033	1.3
85.02953	6.6
85.06603	1.3
87.00888	3.9
87.04479	0.9
89.02459	11.3
93.03473	0.6
95.01395	2.1
97.03011	0.9
97.06635	0.9
99.00872	2.0
99.04564	0.7
99.08192	0.8
100.73145	0.5
101.02440	10.9
101.06113	1.9
103.00417	1.0
108.04560	0.6
111.00951	0.8
113.02475	5.6
115.07674	3.5
119.03474	3.2
121.02950	0.7
125.02459	0.9
125.09700	0.8
129.09251	2.2
131.03542	0.7
136.07689	0.9
139.11322	0.8
146.03752	0.9
147.04558	0.7
149.04558	0.8
151.00418	3.4
153.12854	0.8
159.04550	1.0
161.04576	1.1
163.00333	1.0
163.04053	1.7
169.12337	1.5
173.06151	0.7
178.99919	2.0
179.05545	0.7
186.03249	0.8
187.07690	1.4
188.04822	1.2
189.05676	0.9
193.01584	0.7
199.13397	3.5
201.05763	0.6
203.07179	0.8
209.11900	0.8
213.11290	1.3
215.07204	2.1
215.10847	1.2
226.02769	0.7
227.03452	1.2
227.07031	0.9
227.12956	2.7
241.08777	1.2
243.02995	1.9
243.10170	0.7
255.02870	4.0
255.19644	1.0
257.08279	0.8
257.13065	1.6
259.42923	0.6
271.02527	7.6
271.13446	2.2
272.03021	1.1
283.02563	1.2
283.19144	3.1
298.04874	0.9
300.02802	11.7
301.03537	10.2
301.11777	1.1
301.15036	0.8
301.20245	20.4
302.20590	1.9
313.14584	2.1
315.16296	0.8
327.22104	0.6
329.13971	0.8
331.15320	1.0
355.15625	0.9
369.13382	1.1
373.16663	1.5
375.18051	1.0
389.16025	1.0
445.07953	1.7
445.15164	0.9
445.24762	0.9
463.08990	7.2
463.16284	12.4
463.25610	100.0
464.09283	0.7
464.16913	1.5
464.25931	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45475	0.5
59.01386	100.0
60.01703	1.0
67.15873	0.5
69.36694	4.0
71.01389	8.0
73.02953	0.9
83.01383	0.6
85.02984	1.4
87.00899	1.1
89.02458	9.7
95.01395	0.8
96.96017	0.8
101.02449	5.8
113.02477	4.6
119.03517	6.9
125.02445	0.6
143.03539	1.6
161.04610	2.0
166.05150	2.5
168.44673	0.5
179.05588	2.9
205.12338	2.4
213.09300	0.5
241.14493	0.7
272.22955	0.5
283.12039	0.7
315.07391	0.5
384.52679	0.6
403.19760	8.6
404.20114	1.0
408.70804	0.5
463.22256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.4
59.01385	15.9
69.03461	0.7
70.67920	1.6
71.01391	8.5
72.88373	0.6
72.99319	5.0
73.02950	2.8
74.98938	0.6
75.51554	0.6
83.01393	1.4
85.02945	2.0
87.00885	4.7
89.02455	6.2
95.01407	1.0
99.00869	0.9
100.68834	0.7
101.02438	6.9
111.08148	0.6
111.82359	0.6
113.02438	3.3
116.30722	0.6
119.03487	1.9
124.03974	0.7
130.99815	0.7
136.07675	6.7
145.06284	0.8
149.04591	2.1
151.00368	1.2
158.03691	1.9
161.04558	2.3
161.05841	0.7
162.05597	1.6
163.03899	1.0
165.12856	7.7
173.06062	2.3
174.06821	0.9
175.07681	1.2
183.13911	100.0
184.05264	0.7
184.14258	4.9
186.06795	0.9
187.03937	1.6
187.07707	2.4
198.06818	0.7
200.08496	0.6
203.07147	1.6
209.11867	1.9
212.04732	0.8
213.09274	1.2
214.06448	1.1
215.07130	4.5
216.07892	1.2
217.08780	0.7
218.26591	0.7
227.07280	0.9
227.12883	10.2
241.08858	0.8
243.03128	0.9
243.06607	1.7
253.09274	8.1
255.02957	0.9
257.08325	0.8
259.09766	0.9
260.10526	0.7
271.02512	3.5
271.13449	0.9
275.09302	0.9
287.05652	1.4
287.10385	4.7
300.02765	6.1
301.03525	1.5
306.18570	0.7
313.14447	2.7
329.13943	1.2
329.17825	0.8
339.16293	0.7
341.14148	0.8
355.15616	0.7
373.16705	1.0
389.16425	0.8
420.23724	0.7
445.14722	0.7
463.08569	3.5
463.16016	18.0
463.21960	62.8
464.16403	1.6
464.21985	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47119	0.7
55.01874	0.8
57.03444	0.6
59.01387	17.1
65.24109	0.5
69.03449	0.7
69.32520	3.9
71.01384	12.2
72.99316	1.6
73.02938	3.2
75.00865	1.4
80.02691	1.0
81.03456	1.3
83.01392	1.6
83.05028	4.3
84.02140	0.8
84.74787	0.6
85.02956	3.4
86.51868	0.7
87.00883	1.6
89.02454	13.3
95.05032	0.7
97.02980	0.5
99.00882	3.7
101.02451	7.5
113.02444	4.7
115.03963	0.6
119.03531	1.6
125.02444	2.0
131.03537	1.6
137.09734	0.8
143.03493	1.0
149.04561	7.2
151.00348	1.6
155.10785	7.7
161.04584	2.7
163.11290	3.5
165.12854	2.4
179.05609	0.8
182.94064	0.6
188.25620	0.5
189.03902	0.6
191.05630	1.6
191.10840	0.8
199.09732	1.7
209.11841	100.0
210.12186	5.5
227.03508	0.7
227.12915	16.0
235.08401	0.7
243.03014	2.2
253.09282	13.4
255.02908	5.2
271.02493	9.1
272.02863	1.0
300.02737	13.9
300.06046	1.1
301.03549	7.6
301.06860	1.2
331.14111	1.0
331.17795	1.7
337.38647	0.6
345.22833	0.7
463.08890	11.8
463.16635	2.9
463.22568	3.6
463.27792	0.6
464.09000	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	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04165	1.1
55.01865	1.9
57.03437	3.4
58.00593	2.3
59.01385	100.0
61.49300	1.3
61.98823	2.2
68.99796	1.5
69.03490	1.6
69.72402	7.1
71.01388	31.4
72.99319	1.3
73.02947	7.3
73.44168	1.3
75.00881	3.5
83.01396	3.4
83.05017	1.3
85.02953	9.3
87.00906	2.5
89.02457	20.5
95.01366	2.2
96.95981	2.1
99.00902	2.6
99.04542	1.6
101.02451	22.9
111.00808	1.2
113.02464	13.7
119.03490	7.8
125.02430	1.4
139.04022	1.5
139.07643	9.6
143.03514	2.4
149.04604	1.4
149.09641	1.5
151.07632	3.5
159.02985	3.9
161.04578	13.7
178.61888	1.2
179.05591	2.9
179.10741	4.0
193.12355	2.3
223.13435	3.9
241.14465	64.1
242.14861	3.8
268.72189	1.1
272.27710	1.3
294.50198	1.2
301.03409	1.4
328.11401	1.1
343.04654	2.6
373.05673	3.1
373.14029	3.3
403.19910	40.9
404.20117	4.7
408.74640	1.2
463.17932	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	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64015	1.1
57.03443	3.1
58.00609	2.3
59.01386	100.0
60.01730	1.0
69.03466	1.3
69.96333	4.5
71.01388	42.3
72.99312	2.2
73.02948	3.8
79.05533	1.3
83.01401	2.3
85.02986	7.4
87.00871	3.8
89.02452	53.8
93.14527	1.0
95.01373	2.7
95.05016	1.3
96.96004	1.8
97.06572	2.5
99.00883	4.1
101.02457	24.0
108.83038	0.9
113.02459	17.1
119.03509	22.8
125.02493	1.7
131.03484	2.4
141.05566	2.7
143.03548	5.0
149.04515	2.5
153.09216	2.0
159.03015	4.8
161.04594	7.8
164.03458	1.1
165.09209	5.3
167.06914	1.1
168.06377	0.9
179.05624	15.9
205.12334	1.2
223.13347	1.8
241.14507	10.3
242.14716	1.1
277.84067	1.1
283.11807	3.9
373.13861	1.8
400.11432	1.1
403.19772	11.4
440.19244	1.1
463.17435	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	463.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25016	1.3
59.01380	10.6
63.44097	1.4
70.10736	5.4
70.31648	1.3
82.31496	1.2
89.85659	1.2
96.96001	4.0
101.40516	1.4
108.02180	15.6
111.38868	1.2
123.04530	11.7
151.00343	1.7
166.70721	1.4
167.03511	26.6
171.04596	1.7
175.07635	2.7
204.96043	1.4
209.06096	1.5
217.00331	2.2
224.80737	1.3
234.06784	6.1
235.05403	2.6
235.07646	37.2
236.08167	4.4
247.07657	5.8
248.08189	1.5
250.06273	1.8
251.01662	1.8
255.03062	4.0
262.06400	7.8
263.04492	2.4
263.07123	25.6
264.07886	8.4
265.08737	2.7
271.02524	10.4
272.02637	1.5
275.07083	6.7
275.10434	2.2
276.04846	2.3
276.07886	22.2
277.08203	2.2
283.11209	4.2
289.12119	1.5
299.10715	5.6
300.02762	15.4
301.03571	9.1
303.10321	3.0
305.11826	1.9
316.11108	5.8
317.11807	1.8
318.12598	9.9
319.12799	1.3
323.12891	3.1
327.10291	13.1
343.09763	4.7
344.10535	16.9
345.10638	3.2
357.18213	1.7
359.20056	6.2
369.18372	1.9
385.17999	3.8
386.18884	2.0
387.19693	45.4
388.19919	4.1
395.02682	1.5
413.17618	28.4
414.17957	4.4
445.20193	36.2
446.20398	3.8
452.26932	1.6
463.09164	9.9
463.21213	100.0
464.09396	3.3
464.21490	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	463.2135
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
53.60149	1.1
57.41737	1.0
59.01379	4.5
61.45346	1.1
70.02464	4.4
81.15125	1.2
83.05020	2.7
93.03472	1.2
96.96003	2.0
98.20024	1.7
109.06590	2.2
126.51950	1.1
149.58519	1.2
151.00351	1.4
159.04507	2.3
171.08145	1.6
177.01895	1.4
219.06750	1.3
227.10878	1.9
227.14476	5.3
243.03079	2.5
255.02925	3.6
269.11951	1.3
270.12543	1.4
271.02539	9.1
271.13452	32.1
271.16367	1.8
272.13788	1.9
289.14450	19.7
293.15460	1.9
295.16901	1.5
297.15170	3.1
300.02774	15.4
301.03546	7.2
305.15582	2.1
373.21887	1.6
405.24319	4.4
433.16550	6.8
447.18277	1.3
448.18927	3.2
461.33002	1.3
461.66833	1.3
463.09705	8.8
463.21292	100.0
463.28412	7.6
464.21606	16.4
464.28214	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	463.2133
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
52.21037	0.8
53.26107	0.6
53.46854	0.6
54.58296	0.6
59.01390	4.4
69.95099	1.1
69.95406	3.6
96.95991	1.2
111.04527	4.9
130.04236	1.9
136.01620	0.7
143.05072	1.3
144.05788	0.9
145.06573	2.5
149.02444	0.7
151.00447	0.8
151.08368	0.8
157.06590	3.1
158.07378	1.4
159.04565	4.5
159.08122	2.3
160.04872	1.8
161.02444	1.9
162.03268	0.8
173.06140	1.0
175.04074	0.7
181.12288	0.9
187.04016	2.5
201.05612	6.0
202.06218	1.2
217.00298	2.3
221.11417	1.5
227.14445	0.9
243.02959	0.9
255.02988	1.8
259.78955	0.8
264.29562	0.7
271.02515	5.3
271.13400	15.4
272.02829	0.8
272.13702	1.4
285.61542	1.0
289.14502	11.3
296.03284	0.8
297.14893	1.3
300.02676	7.8
301.03430	3.2
361.11459	1.2
364.09500	1.2
375.22391	0.8
379.11890	7.3
403.23737	1.2
419.21475	2.4
433.16782	4.0
433.21732	0.8
436.24936	0.7
447.18167	0.8
448.18674	1.3
463.08572	4.7
463.21234	100.0
464.21603	13.7
464.27988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89372	0.5
59.01390	3.9
67.02236	0.4
68.37785	0.5
80.02682	1.9
82.17367	0.5
83.05061	0.8
95.01392	1.0
96.95990	1.0
97.06579	0.6
107.01428	0.8
107.05073	0.6
108.02187	44.2
109.02528	1.4
123.00906	1.2
123.04536	37.0
124.04842	1.2
135.04523	0.9
137.09744	2.1
151.00372	0.8
152.01161	1.8
159.04616	0.6
167.03513	100.0
167.47890	0.5
168.03870	3.4
173.99352	5.9
178.99873	0.6
189.01689	7.8
207.02802	3.2
223.07722	0.6
225.09209	1.2
237.09302	0.6
243.03021	0.6
251.01822	3.7
251.10649	0.7
255.02943	1.1
271.02493	3.2
281.07953	0.7
293.15436	1.1
295.17236	1.0
300.02756	4.4
301.03574	2.2
305.15366	0.6
315.13983	0.7
325.06830	2.4
369.18558	0.5
371.20294	0.8
385.21640	2.8
387.23465	3.6
405.24377	1.2
444.18542	0.5
445.27554	6.6
463.09021	2.7
463.21017	14.7
463.27878	1.0
464.01984	0.6
464.21091	2.5
481.22348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89372	0.5
59.01390	3.9
67.02236	0.4
68.37785	0.5
80.02682	1.9
82.17367	0.5
83.05061	0.8
95.01392	1.0
96.95990	1.0
97.06579	0.6
107.01428	0.8
107.05073	0.6
108.02187	44.2
109.02528	1.4
123.00906	1.2
123.04536	37.0
124.04842	1.2
135.04523	0.9
137.09744	2.1
151.00372	0.8
152.01161	1.8
159.04616	0.6
167.03513	100.0
167.47890	0.5
168.03870	3.4
173.99352	5.9
178.99873	0.6
189.01689	7.8
207.02802	3.2
223.07722	0.6
225.09209	1.2
237.09302	0.6
243.03021	0.6
251.01822	3.7
251.10649	0.7
255.02943	1.1
271.02493	3.2
281.07953	0.7
293.15436	1.1
295.17236	1.0
300.02756	4.4
301.03574	2.2
305.15366	0.6
315.13983	0.7
325.06830	2.4
369.18558	0.5
371.20294	0.8
385.21640	2.8
387.23465	3.6
405.24377	1.2
444.18542	0.5
445.27554	6.6
463.09021	2.7
463.21017	14.7
463.27878	1.0
464.01984	0.6
464.21091	2.5
481.22348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	5.3
71.34313	1.3
71.53248	2.2
73.02946	4.7
87.00883	1.5
88.70559	1.4
89.02450	27.2
102.96327	1.4
103.04017	2.0
104.29621	1.4
111.69144	1.1
123.03624	1.3
131.03531	7.0
149.04573	100.0
150.04930	3.0
198.04218	1.3
305.59927	1.5
441.62109	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	463.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02330	1.1
56.32618	1.0
58.00596	15.9
58.49765	0.9
59.01386	15.7
64.28038	1.0
70.84361	1.5
70.84701	2.1
71.01388	9.3
73.02943	2.5
75.00885	1.8
85.02953	3.1
86.16747	1.1
89.02451	4.5
93.37254	1.0
96.21810	1.0
101.02436	5.7
109.02964	1.0
110.62934	1.0
113.02429	3.5
114.85234	1.2
119.03516	3.0
122.06096	1.5
124.07729	2.4
132.04538	3.3
135.43158	1.2
146.06145	12.9
148.07701	7.5
149.02493	1.2
150.05649	1.3
161.04834	8.5
162.05603	2.1
165.04234	1.6
167.05885	5.6
168.06529	1.2
174.05571	4.6
175.06279	2.0
176.07170	2.1
179.05826	2.7
188.07195	1.7
191.05820	1.5
193.03807	2.6
195.05371	1.9
204.06635	12.3
205.07332	4.0
206.08035	1.6
207.05374	1.8
209.11816	8.8
217.07375	2.2
228.14014	1.7
237.06371	6.8
241.07434	2.5
241.10004	1.7
243.11281	1.7
249.06425	2.7
253.09296	2.0
255.11348	2.7
271.14554	13.2
283.10886	17.9
297.12347	3.0
299.14026	3.2
301.07211	1.6
301.11563	1.1
313.11938	1.7
313.15359	1.2
329.15125	19.2
330.15100	1.3
343.12912	7.8
355.13013	3.9
373.14063	100.0
374.14410	9.7
385.14081	8.8
403.15134	10.6
403.19812	2.0
404.15408	1.3
409.14108	1.7
419.15665	2.5
427.15137	3.3
445.16104	2.4
463.17218	39.4
464.17258	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	463.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.1
57.03455	1.5
59.01387	100.0
60.01721	1.5
69.95140	2.5
69.95528	2.3
71.01387	28.5
73.02962	5.4
75.00877	1.8
83.01398	1.8
85.02962	10.2
87.00886	1.5
89.02452	16.7
95.01395	3.0
97.06564	1.4
99.00880	2.1
101.02454	18.8
102.02782	1.1
113.02467	12.4
119.03510	7.3
123.64158	1.1
125.06171	1.2
139.07672	3.0
143.03516	1.6
149.09763	1.7
151.07704	2.3
159.03027	1.4
161.04597	16.9
179.05711	2.1
181.08701	1.0
204.06509	1.1
223.13376	1.9
241.10811	1.5
241.14467	22.5
241.44536	1.0
242.14804	1.3
283.10913	3.6
368.46616	1.0
373.13910	1.3
403.15701	5.9
403.20276	14.4
410.53815	1.0
463.17728	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1097
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
54.78465	0.7
59.01392	5.1
65.44031	0.8
69.03487	0.7
70.71454	0.7
70.71774	1.2
71.01391	3.2
75.86877	0.6
77.24651	0.6
81.23763	0.6
83.01418	0.6
85.02993	0.9
88.48319	0.6
89.02460	2.3
95.01402	1.5
96.96039	1.6
99.00898	1.1
99.04546	0.6
101.02439	0.7
101.22124	0.6
102.04517	0.6
113.02433	1.0
123.00889	8.2
124.01681	27.9
125.02467	25.9
149.99597	39.3
151.00252	1.6
154.42384	0.7
162.90880	0.7
166.99896	0.8
167.03555	1.6
168.00655	96.8
169.01335	6.6
179.03545	1.6
283.11911	1.4
321.57416	0.6
331.06851	3.2
340.81339	0.7
445.10159	1.3
463.10944	100.0
464.11176	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	463.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70814	1.0
57.03432	1.4
59.01385	33.5
61.98824	2.8
69.30838	10.4
71.01385	8.9
72.99317	50.9
73.02946	4.4
75.00886	26.2
85.02956	2.6
87.00884	44.4
89.02457	2.3
97.06586	2.0
99.00893	1.3
101.02440	3.8
103.00385	4.6
113.02448	3.4
115.05593	1.2
121.02914	1.4
123.04530	1.9
130.99869	12.2
135.04526	4.8
145.06569	3.4
146.03711	3.1
146.99327	2.4
147.04559	1.3
147.08258	1.1
149.02443	1.2
151.00348	1.4
158.03708	4.3
159.04550	3.3
161.06152	1.5
163.03955	2.2
165.01930	1.4
171.04465	2.1
172.05193	2.1
173.06094	21.6
174.03229	3.1
174.06807	4.9
175.03952	2.3
175.07634	6.7
186.03220	2.3
186.06805	2.0
187.04018	5.0
187.07632	9.2
188.04805	2.8
189.05545	3.6
189.09222	3.7
190.02640	1.6
198.03313	1.6
199.04109	1.7
199.07712	5.9
200.04631	2.1
201.05582	3.5
202.02762	1.6
202.06314	3.3
203.07138	9.9
205.08632	1.4
209.11966	1.5
209.96918	1.3
213.05504	2.5
213.09265	1.7
214.06256	2.3
215.07140	11.9
216.07843	5.9
217.08739	8.1
218.09436	3.8
227.07092	7.4
229.08710	2.6
231.06656	15.4
232.07172	2.7
234.08879	1.8
241.08708	3.0
242.09291	1.5
243.03067	1.7
244.07439	1.5
255.02995	5.4
255.10236	1.9
257.08224	4.5
258.08813	2.1
259.09729	2.2
260.10406	2.6
271.02634	10.9
271.13474	3.0
275.09195	4.2
276.10028	4.7
277.24020	1.3
286.08377	1.6
298.04752	2.1
300.02792	18.7
301.03500	11.1
301.07184	3.5
313.14694	3.3
325.14471	4.8
329.13956	14.4
339.16074	1.7
341.13995	1.9
343.15424	1.3
355.15482	2.2
366.09470	4.7
369.13495	6.5
373.16647	3.3
387.14523	1.9
389.15994	3.4
403.27127	2.1
419.16495	1.7
421.28488	1.8
445.14792	1.4
463.09274	11.4
463.16074	100.0
463.26456	2.9
463.32687	26.8
464.10168	2.3
464.16425	12.6
464.33133	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03461	1.0
59.01385	100.0
60.01728	0.9
61.69215	0.2
65.83733	0.2
69.38333	1.8
71.01387	7.8
72.01697	0.2
72.99320	0.3
73.02952	2.3
83.01405	1.4
85.02961	4.1
87.00896	0.7
88.29697	0.3
89.02451	3.3
95.01418	0.8
99.00880	1.0
101.02450	5.7
101.03111	0.3
111.00890	0.4
113.02459	4.9
113.03172	0.4
119.03484	1.2
125.02473	0.3
129.01970	0.4
143.03534	0.7
151.04053	1.0
159.03058	0.4
161.04561	1.6
213.09219	0.9
217.10681	0.2
241.01300	0.3
257.08295	0.9
257.21298	0.5
271.02658	0.3
346.34167	0.2
357.46451	0.2
401.25458	5.8
402.26102	0.6
419.26538	15.7
420.26993	2.0
452.89832	0.2
461.27484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	1.1
65.00328	1.7
83.01389	1.2
101.44961	0.5
107.01387	3.8
108.02177	2.1
109.02949	2.1
121.02962	1.8
135.00893	1.2
145.58289	0.6
148.01677	1.9
151.00383	13.0
152.00774	0.7
152.93303	0.5
159.04480	0.7
163.00417	3.9
164.01115	1.3
174.03218	0.9
178.99892	6.8
187.03989	0.6
190.99922	0.6
192.00751	0.6
198.03128	0.6
199.04037	1.8
203.03528	0.6
211.04025	1.7
215.03525	0.8
226.02750	2.2
227.03502	3.8
227.14624	0.5
243.02997	15.2
244.03447	0.9
245.04593	1.4
254.02252	3.4
255.03001	29.3
256.03381	1.5
271.02490	69.1
271.98206	0.6
272.02850	4.9
283.02509	1.1
299.02032	1.6
300.02768	100.0
301.03503	60.8
302.03946	5.1
374.44168	0.6
463.08856	77.4
464.09253	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	461.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52934	3.1
90.93494	0.5
95.11189	0.5
96.96055	0.6
98.20565	1.1
136.01646	2.4
145.02992	1.0
146.03741	2.7
158.03758	0.7
173.02428	0.8
174.03221	4.2
192.72293	0.5
202.02724	13.7
206.02216	4.1
213.05612	1.0
229.08780	3.0
234.01706	9.0
242.05894	1.7
257.08209	100.0
258.08536	6.8
293.24588	0.6
394.64938	0.5
399.41818	0.5
461.26968	41.8
462.27292	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	461.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01729	1.2
69.36650	3.7
71.01385	4.8
72.99332	0.5
73.02972	1.2
83.01418	0.6
85.02969	2.1
87.00902	1.0
89.02455	1.0
95.01414	0.5
99.00905	0.6
100.70070	0.4
101.02445	2.9
103.00380	2.3
106.45699	0.4
107.01421	0.5
113.02451	1.9
117.03501	0.9
125.02510	0.7
132.02185	1.4
132.97852	0.4
133.03043	0.4
146.03777	4.4
146.99370	0.6
147.00900	0.6
147.04529	0.5
149.02446	1.5
155.05040	1.2
155.50476	0.4
161.04578	4.2
161.06061	1.3
162.83981	0.5
164.04793	3.0
167.05011	2.0
175.07640	0.6
179.05560	0.7
179.07149	13.3
180.07562	0.9
183.04501	2.7
195.04512	5.9
196.05103	0.6
211.04015	6.6
212.04672	1.8
223.04008	5.1
224.04788	4.5
225.04910	0.5
229.08774	0.6
231.06596	1.0
231.23830	0.5
239.03503	19.4
240.04086	1.8
242.05910	0.9
251.03621	0.6
257.08191	2.1
267.03000	24.5
268.03735	12.3
269.04166	0.9
270.01682	0.6
270.05179	0.9
271.02493	0.7
282.05356	69.2
283.06049	20.9
284.06534	1.2
285.07712	0.7
299.01776	0.6
335.63199	0.5
401.25455	5.6
402.25525	0.6
461.12753	4.9
462.13202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.27
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37794	0.6
71.18066	1.2
98.20010	0.8
99.29343	0.7
104.21857	0.7
130.50052	0.9
136.01689	2.3
146.03775	2.0
158.03752	1.2
162.55672	0.7
171.04474	0.8
173.14288	0.7
174.03271	4.4
181.53029	0.7
202.02744	13.3
206.02287	4.4
223.17093	1.4
225.05618	1.6
229.08698	2.5
234.01712	9.6
237.05583	0.8
242.05859	2.3
257.08215	100.0
258.08588	6.5
271.30481	0.7
279.10434	2.0
293.11795	1.2
295.13452	2.7
404.43307	0.8
460.30621	0.7
461.27008	69.0
461.40308	2.8
462.27380	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	461.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	8.0
61.98822	2.0
71.54535	1.9
77.21617	1.7
78.95906	21.1
96.96040	4.2
101.29071	2.3
110.98522	12.9
113.09734	3.6
121.10283	10.6
149.06076	1.9
167.01183	10.9
171.10275	29.1
183.14053	2.1
185.02237	7.9
210.58975	2.0
231.21355	2.4
235.17070	5.4
241.01459	2.8
270.01767	5.1
271.02393	2.7
275.20175	46.5
276.20526	5.2
293.21252	100.0
294.21570	10.2
299.01776	3.6
312.06619	2.1
364.30432	2.0
461.07477	5.6
461.23019	25.3
461.28949	4.1
462.23621	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	461.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09164	0.4
59.01385	1.3
71.55466	0.8
77.20524	0.5
93.81387	0.4
96.96011	0.5
98.47949	0.4
107.83198	0.5
108.02269	0.5
108.25676	0.5
117.03471	1.7
119.05038	13.3
121.02953	2.0
122.03718	0.9
123.04536	0.6
143.05008	0.6
145.03030	1.1
145.78189	0.4
146.03737	0.9
159.04526	1.6
161.06094	100.0
162.06444	4.8
163.04030	3.0
175.04015	8.4
176.04671	0.7
180.80951	0.5
187.04034	2.6
203.03448	1.0
203.07068	0.7
208.03816	0.6
215.07178	1.7
224.08272	0.5
245.15454	0.9
270.01758	0.5
280.53513	0.5
287.16553	9.9
288.16943	0.7
299.16537	52.4
300.16864	5.3
417.20587	3.7
461.07455	0.5
461.19296	2.7
461.23676	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	461.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17137	0.8
55.01878	1.4
57.03454	3.2
58.00602	3.9
59.01385	100.0
60.01707	1.2
61.98825	2.4
69.03465	1.9
71.01390	43.5
71.05021	0.8
71.55367	0.9
72.99316	4.3
73.02951	17.3
74.02500	1.2
75.00880	2.7
80.64219	1.0
83.01414	3.0
83.05041	1.1
83.57484	1.0
85.02960	10.7
87.00874	4.6
87.04545	1.4
88.00684	0.8
89.02457	45.3
90.02799	1.0
90.98571	1.0
95.01397	3.8
95.05032	1.0
97.03006	1.9
99.00896	4.7
99.04518	13.7
101.02446	21.6
107.05080	1.2
108.02197	8.1
109.02961	21.8
109.06621	2.0
113.02455	13.2
115.04022	1.7
115.65914	0.9
117.03488	2.4
119.03510	13.3
119.04972	2.2
121.02991	1.8
121.06609	1.7
123.00902	0.9
125.02468	5.9
125.46706	0.8
131.03506	4.0
135.00906	2.1
136.29704	1.0
137.09683	1.4
142.11858	0.9
143.03500	4.2
145.02960	9.1
147.03069	1.1
149.04565	3.9
149.09700	4.1
149.99648	1.0
152.01170	10.0
153.01952	20.6
153.09236	1.6
155.10796	4.8
161.02422	1.1
161.04546	5.5
163.03996	2.6
163.07701	0.9
164.04778	1.1
166.05219	1.0
167.10808	2.4
179.05637	5.5
188.07225	1.1
199.09752	3.4
214.02808	1.3
215.03581	1.2
227.03519	1.2
233.06693	3.7
240.04356	1.7
241.01462	7.0
242.02184	3.2
245.00871	3.2
255.03055	3.7
255.10318	2.4
256.03748	1.1
257.08139	1.0
257.11761	5.1
270.01660	7.0
271.02548	4.4
281.17596	65.5
282.17966	5.2
283.02499	2.2
284.03311	6.1
293.08865	2.6
297.04074	1.5
298.01245	4.3
298.04846	4.6
299.02042	5.7
299.05637	20.8
299.08926	1.2
299.18643	1.3
300.02563	1.1
300.05795	1.5
306.52838	1.1
313.16531	1.9
315.07181	12.7
329.19751	1.3
330.19235	2.4
341.06567	2.1
343.21280	3.2
401.22012	2.1
419.22781	1.6
461.11472	28.8
461.24185	17.6
462.11435	3.0
462.24127	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	461.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	1.0
56.62530	0.8
59.01380	5.1
61.98857	1.5
66.23941	0.8
70.44796	2.6
71.05016	3.5
75.00867	1.2
78.95912	12.7
78.96333	1.3
96.96014	1.7
110.98539	9.6
117.15979	0.9
137.90034	0.9
167.01152	3.8
171.10223	2.1
183.13972	1.0
185.02197	9.5
186.48750	1.0
191.07115	2.4
209.15456	1.4
223.17087	2.0
231.21138	2.3
235.17049	23.5
236.17334	1.7
241.01414	1.2
241.05081	1.6
244.83757	1.0
270.01694	1.5
275.09283	1.3
275.20178	33.9
276.20526	2.8
293.21243	100.0
294.21548	8.9
299.02051	1.1
303.12418	2.9
312.06317	1.5
317.46472	0.9
461.07089	3.1
461.12894	2.5
461.16592	1.1
461.23178	16.9
461.29025	1.9
462.23398	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	2.6
59.01386	18.1
61.98829	4.3
71.55082	3.7
79.05525	2.7
83.05019	3.0
85.02966	2.4
91.42713	2.2
96.96030	2.9
97.82052	2.2
107.05057	11.4
113.02460	2.5
116.09537	2.6
121.02962	2.8
122.03810	2.4
146.03723	3.1
148.01743	2.6
157.06622	8.0
159.04506	3.9
161.02472	21.0
162.83987	17.1
164.83659	10.0
175.07697	16.3
178.49245	2.4
179.03589	2.7
197.11742	2.9
201.05571	17.9
207.10008	2.2
213.09283	7.9
219.06641	100.0
220.06949	6.8
227.10841	4.8
237.09239	53.4
238.09642	2.9
239.03436	3.4
241.01453	8.1
241.08725	8.4
242.02107	3.4
255.03014	3.0
255.10146	2.4
264.45447	2.1
267.02982	2.4
269.04404	2.8
270.01740	7.9
271.02438	5.6
281.08182	17.3
282.05389	7.3
282.08414	2.4
285.07587	13.5
293.21240	8.6
297.03986	4.3
298.01328	3.1
298.04843	3.8
299.02246	3.8
299.05734	3.5
299.09009	4.1
329.26852	4.8
345.18561	4.1
349.53564	2.6
387.19968	3.1
389.17416	2.7
407.18579	5.4
417.11871	2.7
425.19760	71.3
426.19894	8.4
442.41397	2.4
461.07086	7.6
461.12051	7.6
461.27106	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	461.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43467	2.1
59.01369	2.6
61.98845	3.1
69.00663	1.7
69.18620	10.4
69.19041	6.9
108.02165	2.2
109.02957	3.3
121.02980	5.4
122.03714	6.1
123.04539	5.8
133.03033	2.2
135.04521	5.5
149.02527	3.3
151.03979	3.5
161.02435	18.0
162.03130	1.8
174.03207	8.2
177.94934	2.0
179.03516	4.9
180.04506	1.9
187.07649	2.0
202.23346	1.7
215.07047	1.8
216.07843	1.9
245.15479	37.7
246.15810	4.8
257.15543	4.3
273.14957	2.0
285.14935	32.4
286.15436	2.6
299.01819	2.9
303.16055	100.0
304.16446	6.4
387.25345	5.8
389.21152	8.0
407.18509	9.3
408.19147	3.5
425.19717	91.3
426.20114	8.4
461.29111	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	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
58.00586	2.7
59.01384	100.0
60.01723	3.2
69.03463	4.7
69.41044	16.0
70.99969	2.0
71.01012	4.1
71.01389	56.0
71.04944	2.5
72.99303	4.2
73.02951	19.0
75.00890	11.5
83.01400	3.9
85.02950	11.3
89.02452	68.6
97.02975	6.3
99.00893	20.2
101.02444	28.4
109.06581	5.8
113.02470	11.8
119.03498	2.6
125.02464	29.3
131.03505	9.0
143.03471	3.0
149.04562	20.6
160.47519	2.4
161.04616	2.6
167.10782	15.2
191.05602	7.0
191.10658	2.5
209.11913	2.2
213.09203	23.8
221.11749	2.6
233.06688	17.4
236.24754	1.9
241.01382	3.2
270.01859	2.9
283.02585	2.6
293.08832	17.4
295.02487	2.5
317.26840	2.6
327.21875	3.2
329.23459	4.6
359.36813	2.1
417.26563	4.4
423.22275	4.5
461.07858	5.1
461.24908	10.7
461.31210	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	461.167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16747	2.2
57.03454	100.0
59.01382	71.3
64.07530	2.1
67.61306	2.1
68.96806	1.9
69.46247	7.8
69.46658	7.3
71.01385	24.7
73.02940	9.8
81.03455	7.5
83.01382	4.5
85.02943	7.6
89.02457	28.8
94.29288	2.2
95.01402	3.0
96.96026	4.9
99.00885	8.8
99.04523	52.6
101.02450	38.8
113.02460	7.3
113.06029	2.5
119.03487	4.4
123.04502	6.3
125.02449	16.4
131.03572	5.1
134.03705	2.6
137.02502	2.7
138.05629	4.7
149.04553	12.0
149.06000	3.7
153.01886	6.1
153.05513	2.7
164.03551	16.9
165.01921	17.1
166.02675	4.8
167.03523	17.2
168.04327	12.9
171.39951	2.3
179.07207	3.4
180.04271	14.1
181.82591	2.1
183.06638	40.1
184.06194	2.9
191.03479	2.7
191.05531	2.1
195.06639	53.7
196.06931	2.8
207.06509	3.2
243.08658	10.5
259.65588	2.4
329.12247	2.9
359.13525	5.0
399.16653	8.0
461.16843	38.6
462.16370	9.1
464.23465	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20300	0.5
57.03445	0.8
58.51214	0.5
58.54859	0.5
59.01385	100.0
60.01718	1.0
61.67903	0.6
68.09502	0.7
71.01375	2.7
72.99338	0.9
73.02953	1.8
75.00862	2.5
77.19917	0.6
80.43483	0.5
83.05061	0.6
84.77313	0.5
85.02965	2.5
87.00962	0.6
89.02481	0.8
97.06567	0.7
99.00899	0.6
101.02467	1.5
113.02483	2.2
123.04532	0.5
153.05556	0.8
161.04582	0.9
167.10771	0.6
177.72131	0.6
180.10228	0.6
211.04065	1.4
211.06171	2.4
211.09720	0.7
212.04797	1.4
227.03586	3.2
228.04280	1.7
231.05037	0.7
239.03577	1.9
240.04320	3.8
241.04611	0.7
249.06261	2.5
255.02950	5.5
256.03821	1.7
257.92288	0.5
283.02515	8.1
284.03293	18.1
284.06439	0.9
285.03943	1.9
298.05008	1.6
299.05640	30.8
300.06076	1.8
313.12216	1.1
313.16837	0.8
403.36771	0.6
435.93515	0.7
451.42334	0.7
461.10901	10.0
461.24615	0.7
462.11514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26811	1.5
55.01882	2.9
55.42749	1.5
57.03435	4.5
59.01386	100.0
61.98817	2.0
69.29029	15.3
71.01012	3.3
71.01387	53.0
72.99303	3.1
73.02952	27.9
74.16733	1.6
75.00872	10.7
77.03006	1.6
83.01395	6.8
85.02950	16.7
87.00877	5.6
89.02448	21.5
96.96025	15.0
97.02956	3.3
97.06542	2.6
98.19843	3.6
99.00892	6.8
99.04499	2.5
101.02454	37.5
111.00938	1.8
113.02457	24.0
115.03998	1.9
117.23571	1.6
119.03497	7.7
123.04482	1.9
125.02426	5.3
125.84480	1.7
131.03477	3.3
143.03491	4.4
146.06158	1.9
149.04559	2.8
149.09752	1.7
159.02959	2.7
161.04588	16.3
167.03522	5.5
176.01154	2.5
179.05516	2.3
191.03517	3.7
203.11031	2.0
211.09758	3.0
221.08182	2.4
239.09079	2.0
255.02991	3.5
257.10297	8.6
269.10324	14.2
269.12878	2.7
283.02371	3.7
284.03180	2.3
298.04529	2.0
299.05450	4.2
371.12469	3.6
401.14468	43.1
402.14984	3.2
419.15900	3.1
461.10269	2.3
461.15457	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	461.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75097	0.9
57.03453	1.1
57.62297	0.8
59.01389	8.8
71.01387	3.3
72.99307	3.1
73.02951	1.5
85.02950	1.6
87.00905	1.3
89.02475	1.7
98.20671	2.5
99.00871	1.3
101.02462	1.9
103.00402	2.5
111.90058	0.8
113.02469	1.1
122.03741	9.4
125.02439	1.1
146.99365	1.5
169.10222	0.9
171.08160	5.4
173.06102	1.1
175.04034	2.1
181.18437	0.9
187.07780	1.5
189.05469	1.0
201.05688	1.1
203.03534	2.3
203.07152	1.7
213.09232	100.0
214.09572	7.0
215.07117	1.7
216.07979	1.0
231.06609	1.1
232.07422	1.5
274.08554	1.1
327.22208	1.2
329.23282	1.9
417.15451	4.0
461.14713	8.9
461.31473	3.9
462.14664	1.5
462.23740	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	461.1455
Annotation	Exoticin
Peak:m/z	Relative Intensity
53.40829	0.1
57.03461	0.3
59.01114	0.2
59.01388	3.3
61.37760	0.1
63.02388	0.2
65.03977	0.1
70.37313	0.4
70.37650	0.2
71.01366	0.3
73.02944	0.2
81.03461	1.9
83.01385	0.3
89.01828	0.1
89.02462	0.2
91.01899	1.5
93.03461	0.4
95.01384	0.3
99.04565	0.2
101.02452	0.2
108.02191	1.4
109.02929	0.4
113.02446	0.2
114.13845	0.1
121.02940	0.2
122.03751	17.9
123.00885	0.5
123.04012	0.7
125.02454	1.2
129.07152	0.2
136.01633	0.2
137.02480	1.3
148.01657	0.1
153.01936	0.5
154.02657	0.4
156.05876	0.5
169.06622	1.4
169.10251	2.5
171.08170	8.8
172.08499	0.5
195.08261	0.2
198.06848	0.2
211.07591	0.4
213.09225	100.0
214.09557	6.4
237.09180	0.3
239.07149	5.8
240.07466	0.4
255.10271	0.6
257.08200	2.7
268.60803	0.2
271.06100	0.3
281.08160	0.3
299.05676	1.8
299.08960	0.2
317.15826	0.2
412.01028	0.2
461.14557	57.7
462.08389	0.3
462.14926	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	461.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.4
57.03458	16.0
57.62038	1.8
58.00612	1.4
59.01385	31.3
61.98818	4.9
62.86397	1.6
64.58022	1.5
66.39612	1.7
69.96337	2.7
69.96728	4.2
71.01387	63.0
72.01721	1.8
73.02957	20.8
75.00862	2.9
81.03472	2.6
83.01388	6.2
85.02955	24.5
85.27021	1.6
87.00893	3.2
89.02455	16.3
93.03443	4.4
95.01397	3.3
96.96005	11.7
97.02954	4.3
97.14122	1.6
99.00895	20.0
99.04530	11.3
101.02449	31.8
107.05023	2.5
108.02192	7.7
109.02981	12.9
111.00862	2.4
113.01730	2.2
113.02464	29.2
119.03515	2.5
121.02963	4.6
122.03752	97.5
123.00841	1.7
123.04553	59.9
125.02475	9.8
131.03575	2.1
135.04558	1.7
136.05345	1.8
137.02461	11.3
137.06097	4.0
143.03461	3.7
147.04539	4.6
149.02466	2.3
152.01175	2.8
159.03029	4.1
160.37215	1.6
161.04559	38.4
164.07156	11.8
165.01956	2.1
165.04198	2.1
165.05460	7.7
166.05077	1.9
167.03513	11.2
168.04193	1.9
177.05563	5.8
180.04291	5.0
183.06651	7.5
188.56256	1.5
195.06598	9.0
218.37061	1.4
243.08723	2.4
273.49255	1.5
280.56604	1.5
285.09824	25.6
286.10202	2.0
372.13052	1.7
417.14059	54.4
418.14346	7.2
419.11850	3.8
443.11823	4.6
461.12955	100.0
462.13297	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	461.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75130	0.9
55.01869	2.7
57.03459	8.5
58.00591	1.4
59.01384	48.2
69.03468	5.2
69.29205	4.7
69.29633	4.1
70.32622	0.8
71.01019	1.6
71.01389	22.9
72.99324	1.5
73.02953	17.8
75.00866	1.6
78.76334	1.0
81.03464	1.1
83.01392	5.9
85.02953	8.5
87.00865	2.7
87.74681	1.2
89.02449	10.1
93.03458	1.2
95.01416	2.3
96.96017	14.0
97.02957	21.5
99.00267	1.9
99.00882	22.2
99.04546	4.7
101.02463	19.8
108.02156	2.7
109.03004	1.2
111.00859	2.2
113.02467	14.9
119.03502	2.7
119.05019	1.0
121.02930	2.2
123.04515	3.2
124.01672	2.1
125.02459	100.0
126.02787	2.1
128.03535	1.0
131.03476	3.8
137.02460	2.0
141.01833	1.2
141.25333	1.1
143.03485	2.6
151.04008	1.8
152.01138	2.3
152.04808	1.7
161.04523	9.1
164.03506	3.1
165.01895	1.2
166.04982	1.4
167.03534	8.3
167.07104	2.3
168.04176	1.8
179.03487	2.8
179.05598	1.6
182.97601	1.0
183.06644	3.4
191.05589	3.2
194.87012	0.9
195.06636	4.8
203.05597	5.3
221.11871	1.8
239.05524	1.4
240.54785	0.9
243.08592	1.5
246.62753	0.9
252.20972	1.0
275.07672	1.6
284.03204	1.7
293.08594	2.0
299.05530	1.7
329.08771	3.5
401.10324	1.2
401.18149	1.1
419.11996	35.4
420.12213	3.1
461.12885	34.5
462.13156	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	461.1245
Annotation	Artoindonesianin C
Peak:m/z	Relative Intensity
66.48093	0.3
70.66525	0.7
115.33640	0.3
117.03470	0.8
127.34220	0.4
132.02185	1.5
143.05058	0.4
144.77274	0.3
146.03748	6.4
147.00873	0.5
149.02477	1.6
149.06084	0.5
155.05077	0.7
161.02409	0.5
161.06071	2.2
162.03278	0.3
162.83922	0.5
164.04816	3.4
167.05058	1.7
175.00375	0.8
179.07162	19.4
180.07529	0.8
182.03766	0.3
183.04564	3.2
184.05124	0.3
195.04497	5.3
196.05241	0.6
211.04031	8.1
212.04701	2.2
223.04036	4.8
224.04793	6.2
225.05251	0.4
238.02699	0.3
239.03514	25.1
240.04056	3.4
241.04840	0.4
251.03525	0.4
255.06775	0.3
256.03821	1.1
266.02438	0.6
267.03000	32.9
268.03748	16.9
268.06146	0.2
269.04129	1.2
270.05261	1.5
271.02576	0.3
282.05350	100.0
283.06049	30.3
284.06424	2.1
285.07794	0.5
295.42770	0.3
297.07394	0.6
298.01379	0.4
312.06485	0.4
319.79099	0.4
461.12445	6.9
462.12820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84197	0.4
59.01384	27.0
69.61865	2.8
71.01393	1.9
72.99303	0.4
73.02953	0.5
85.02957	0.8
87.00873	0.6
98.19968	0.5
98.76307	0.4
100.24325	0.4
101.02452	0.9
103.00371	1.6
110.81010	0.4
112.09201	0.4
117.03448	1.2
120.51458	0.5
132.02180	1.6
134.03767	0.6
143.05040	0.7
145.03059	0.5
146.03749	5.2
146.15143	0.4
146.99319	0.5
147.94218	0.4
149.02438	1.7
149.06046	0.4
155.05026	0.8
155.43103	0.4
161.02377	0.6
161.04660	0.9
161.06096	2.3
164.04791	3.8
167.05034	1.9
175.00368	0.8
179.07150	19.1
180.07509	1.0
182.03735	0.6
183.04503	3.2
183.68150	0.5
184.05051	0.6
195.04512	5.7
211.04018	7.8
212.04744	2.1
223.04041	5.2
224.04767	6.8
225.05118	0.6
229.08728	0.6
238.02704	0.6
239.03499	25.6
240.04016	3.0
256.03671	0.8
257.08176	1.7
267.03006	33.6
268.03732	17.4
269.04303	0.9
270.05249	1.8
282.05356	100.0
283.06046	35.1
284.06445	1.8
285.07632	0.6
312.06506	0.6
335.24161	0.4
401.25409	1.9
431.11493	0.6
443.11169	0.6
461.06604	0.8
461.12424	6.5
462.12869	0.9
462.23618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30466	0.3
56.44824	0.4
58.00599	1.8
59.01384	6.1
62.54504	0.3
69.55473	0.9
69.55869	1.6
71.01388	1.3
73.02937	0.5
83.01373	0.5
87.00864	0.6
89.02466	0.5
93.03477	4.4
103.00360	0.7
106.04260	0.5
107.01398	0.5
107.05038	3.3
109.02972	0.8
112.98819	0.9
113.02383	0.4
117.03452	0.5
119.05016	1.3
120.76821	0.4
121.02944	1.5
122.06104	0.6
132.02179	0.4
135.04500	0.8
145.02959	0.6
147.04507	1.4
149.02457	5.1
149.06073	3.0
150.06392	0.4
151.00385	0.6
152.01146	0.7
152.07178	1.0
153.01968	0.5
161.04517	0.5
163.03995	1.4
164.04834	3.1
165.05580	27.2
166.05899	1.3
175.04025	0.6
179.07104	0.7
183.04550	0.5
188.07173	1.3
189.07530	0.8
193.01424	2.5
193.05063	3.9
208.03773	4.4
209.04518	0.6
223.06113	16.6
224.06451	0.7
227.03500	0.9
237.03979	1.1
247.57518	0.4
255.03000	91.2
256.03439	6.3
268.03726	1.2
269.04568	5.3
269.86127	0.4
270.01794	0.7
270.04962	0.5
281.04385	0.9
283.02502	63.5
284.03152	12.9
285.04028	3.2
295.10919	0.6
296.11191	0.8
297.04053	13.9
298.04813	17.8
299.02115	0.7
299.05545	10.2
300.05960	0.6
313.03522	4.4
327.04782	0.8
328.05173	0.4
341.06714	0.4
446.08560	22.2
447.09161	2.0
461.10944	100.0
462.11304	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	461.1092
Annotation	Luteorin 5-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
51.98735	0.7
55.07985	0.7
56.35315	0.7
59.01109	1.4
59.01384	18.5
71.01395	5.4
71.55471	1.3
73.02941	3.0
83.01389	1.3
85.02959	2.4
87.00899	1.7
89.02435	3.0
91.01894	4.5
95.01427	0.9
100.09848	1.0
100.49021	0.9
101.02463	3.4
113.02452	3.3
119.03541	1.0
121.02938	1.0
122.03699	0.9
122.06096	0.8
123.00942	1.1
123.04526	0.8
125.02444	0.8
126.29555	0.7
134.03757	1.1
135.00903	9.8
148.01675	6.4
153.01912	2.9
160.01649	2.3
161.04532	1.3
163.00381	1.4
170.92239	0.9
175.04016	2.5
183.04494	1.2
185.02499	1.1
186.03220	0.9
187.04021	2.3
195.06667	1.1
198.03273	1.1
199.04143	1.3
200.04826	1.0
200.35097	0.8
203.65923	0.8
211.04027	2.4
212.04764	2.0
214.02707	5.0
215.03520	1.9
225.11282	1.2
227.03473	5.6
228.04169	1.5
238.02927	1.1
239.03467	3.5
240.04253	9.3
241.08939	0.8
255.03023	22.0
256.03644	6.3
266.02087	1.5
267.02795	1.2
269.04498	0.8
283.02512	11.4
284.03271	91.4
285.03680	8.8
298.04565	1.0
299.05624	100.0
300.05966	8.7
341.02988	1.0
461.10941	55.2
462.11270	5.3
464.03354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
59.01385	6.7
61.98841	9.4
69.03466	0.9
69.81078	1.4
69.81490	2.3
71.01379	5.3
72.99310	1.9
73.02942	0.8
75.00875	3.7
83.29674	0.6
85.02966	4.8
87.00899	1.2
89.02455	2.2
89.29702	0.7
92.05058	0.7
96.96003	1.0
98.20552	0.9
99.00894	2.7
99.04501	0.9
101.02481	1.5
103.04242	0.7
104.05074	22.3
107.64533	0.6
108.02213	0.7
108.05692	0.6
113.02451	4.5
115.00329	0.8
117.01918	0.9
119.03563	0.8
120.04572	4.0
122.06149	1.8
123.04496	1.0
125.02439	1.2
148.04060	57.4
149.04420	2.2
166.05107	100.0
167.03508	1.5
167.05457	3.6
174.88451	0.7
192.03050	13.6
193.03554	1.4
195.06587	1.3
195.80017	0.7
204.07239	0.6
210.04089	85.5
211.04413	3.9
226.64946	0.7
231.05342	0.6
245.13780	0.6
249.06166	27.1
250.06544	1.7
284.07840	0.9
379.55627	0.7
407.49527	0.7
442.10062	3.7
460.10986	25.9
461.11276	2.9
461.17163	0.9
467.28622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83120	0.7
59.01394	6.4
61.98838	100.0
66.30813	0.8
67.63228	0.7
71.01389	1.9
71.54402	1.0
94.39109	0.7
96.96027	1.6
101.02445	1.4
101.94403	1.0
113.02422	1.2
123.98769	0.8
140.58742	0.8
149.02486	1.1
158.78125	0.7
162.83932	24.9
162.85326	1.4
205.53322	0.9
215.07169	0.9
241.01411	1.3
270.01703	0.9
299.01929	1.2
325.14508	1.4
353.14328	1.6
354.64651	0.9
419.26617	0.9
461.07385	1.5
461.21335	1.4
461.27548	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	460.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03474	0.8
58.37998	0.6
59.01385	26.1
60.01719	0.8
61.19865	0.7
67.01897	0.8
67.42211	0.7
68.99809	1.4
69.03465	0.8
70.72720	1.2
70.73045	0.8
71.01387	10.3
71.16429	0.7
72.99292	1.0
73.02953	3.1
75.00872	0.8
83.01404	1.2
85.02966	7.2
85.06570	0.8
86.40975	0.7
87.00884	2.4
89.02459	7.1
91.03997	1.4
95.01408	1.6
97.02962	0.8
98.20550	0.9
99.00893	2.9
99.04502	1.4
101.02487	3.3
108.08204	100.0
109.06573	1.0
109.08545	2.8
111.00920	0.9
111.04524	2.5
113.02438	6.6
115.07671	1.5
119.03505	2.1
121.02969	1.0
127.07666	3.1
129.05565	1.3
136.05327	3.7
143.03523	0.9
151.02785	1.9
152.07184	98.2
153.05605	0.8
153.07512	2.9
156.10323	5.6
157.01460	0.8
158.11865	8.7
161.04556	1.0
163.03900	0.7
166.05106	60.5
167.05446	2.4
175.03987	1.0
195.10402	0.9
196.06152	31.5
197.06473	1.3
225.11290	1.1
236.61575	0.7
255.03009	7.7
257.11856	1.2
263.07718	9.6
264.07959	0.7
269.04575	2.9
271.02548	1.0
280.16382	1.1
281.08917	1.4
281.17615	4.5
283.02560	8.2
284.03201	4.1
297.04077	11.7
298.04816	5.8
299.02304	1.2
299.05618	5.1
312.18210	7.9
325.30338	0.8
331.48453	0.7
384.12924	3.7
416.15652	13.2
417.15918	1.1
428.12115	4.1
458.97305	0.8
460.14609	49.9
460.20963	1.7
461.10507	18.2
461.20782	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	460.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92161	0.6
57.03448	8.8
59.01387	27.5
60.52354	0.7
61.98837	28.0
68.99802	0.8
69.03461	0.9
71.01006	1.2
71.01389	15.2
71.54694	1.1
72.99300	2.1
73.02959	3.9
75.00874	4.7
75.14596	0.6
83.01398	1.3
83.05016	1.0
85.02958	7.9
87.00890	2.1
88.17216	0.7
89.02449	9.4
93.03439	1.5
95.01397	2.1
96.96011	4.1
97.02964	1.2
99.00886	4.2
99.04529	3.8
101.02457	8.4
103.04234	0.9
104.05074	20.6
109.02939	1.4
113.02449	9.0
114.19953	0.7
119.03506	2.8
119.05013	1.2
120.04582	4.5
121.02980	1.2
122.06140	1.8
123.04543	2.6
125.02463	6.5
137.02470	2.9
143.03513	1.6
148.04060	57.8
149.04463	2.5
152.01208	1.3
153.05614	1.3
161.04556	2.5
164.04742	1.3
165.01932	1.4
166.05107	100.0
167.03601	3.4
167.05418	4.1
168.04245	1.0
175.02507	0.8
179.05602	2.5
180.04289	0.9
183.06638	3.8
192.03032	16.4
195.06607	5.3
210.04089	79.5
211.04430	4.6
243.08864	1.1
249.06166	26.8
250.06499	1.2
262.10919	0.9
267.07285	0.9
284.07437	1.0
289.07385	1.0
399.16644	0.9
419.11932	1.7
442.09647	3.7
460.10797	21.0
461.11481	3.4
461.17120	4.7
465.77664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46388	0.5
57.03456	0.6
59.01385	100.0
60.01709	0.8
61.37858	0.4
65.81715	0.4
69.03455	0.5
70.71804	0.8
70.72150	0.4
70.86665	0.4
71.01391	7.2
73.02954	2.9
78.57320	0.4
79.41962	0.4
83.01411	1.3
85.02954	2.9
87.00903	1.2
87.04553	0.8
89.02469	1.9
95.01436	0.4
99.00925	0.5
101.02457	4.1
101.06104	0.8
113.02447	2.8
119.03543	1.2
125.02473	0.7
143.03568	0.8
155.18423	0.5
161.04572	2.0
164.02580	0.5
208.79762	0.4
255.03055	0.5
267.06320	0.4
297.07092	0.7
298.04971	0.6
327.21994	1.6
381.22873	1.1
399.23987	2.8
417.24826	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	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03442	0.7
58.00611	0.4
59.01385	100.0
60.01721	1.1
66.51476	0.3
69.37775	1.5
69.38197	0.9
71.01389	8.0
72.99362	0.4
73.02952	2.9
81.43682	0.3
83.01420	1.4
83.90614	0.3
85.02954	3.7
85.88149	0.3
87.00890	0.5
87.04546	0.8
89.02453	4.2
95.01396	0.9
99.00888	0.9
101.02454	6.6
101.06094	2.4
110.14495	0.3
113.02459	4.3
119.03554	1.1
125.02456	0.8
143.03470	0.5
156.84929	0.3
159.02940	0.4
161.04582	3.0
179.05624	0.6
184.79170	0.3
205.61147	0.4
210.84422	0.3
219.45122	0.4
252.47581	0.3
255.06625	0.4
255.19685	0.9
297.04297	0.9
297.20779	1.1
399.23895	4.7
400.24161	0.7
417.25058	5.5
418.25467	1.0
423.22516	0.9
459.20477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2908
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
69.87116	1.1
107.05036	29.1
108.05372	0.9
121.06622	0.3
136.01643	0.2
147.08173	0.5
163.11296	100.0
164.11620	5.1
197.47978	0.2
199.77216	0.3
232.59236	0.2
238.09880	0.3
280.14746	0.5
283.17050	25.0
284.17355	2.1
295.17044	14.2
296.17413	1.5
341.49753	0.2
459.29074	79.1
460.29419	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	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.5
57.39922	1.2
59.01385	100.0
60.01717	2.3
61.01810	2.1
63.00953	1.3
67.27144	1.3
68.77681	1.2
69.55019	9.4
71.01387	24.0
73.02953	18.4
83.01376	6.1
85.02963	4.2
85.63491	1.2
89.02451	7.5
92.04102	1.3
93.62691	1.3
101.02459	17.6
113.02456	9.1
119.03498	4.7
120.37827	1.5
125.02450	1.8
141.36996	1.3
143.03499	2.3
143.07265	1.3
145.02994	2.3
158.11885	1.9
161.04552	3.3
176.04692	1.5
235.50323	1.7
244.14467	1.4
269.04697	1.4
279.15918	1.7
280.55734	1.3
297.03964	4.7
312.18207	2.3
344.78162	1.4
448.59406	1.4
459.08969	1.7
459.22495	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	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.5
57.39922	1.2
59.01385	100.0
60.01717	2.3
61.01810	2.1
63.00953	1.3
67.27144	1.3
68.77681	1.2
69.55019	9.4
71.01387	24.0
73.02953	18.4
83.01376	6.1
85.02963	4.2
85.63491	1.2
89.02451	7.5
92.04102	1.3
93.62691	1.3
101.02459	17.6
113.02456	9.1
119.03498	4.7
120.37827	1.5
125.02450	1.8
141.36996	1.3
143.03499	2.3
143.07265	1.3
145.02994	2.3
158.11885	1.9
161.04552	3.3
176.04692	1.5
235.50323	1.7
244.14467	1.4
269.04697	1.4
279.15918	1.7
280.55734	1.3
297.03964	4.7
312.18207	2.3
344.78162	1.4
448.59406	1.4
459.08969	1.7
459.22495	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	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29412	0.5
55.01871	0.8
57.03456	1.6
59.01387	30.3
60.01724	0.6
69.03452	1.2
69.31202	4.7
71.01385	5.4
73.02955	2.9
83.01402	0.9
83.04995	1.0
84.02168	0.4
85.02959	6.1
89.02457	4.0
95.05057	1.1
97.06598	5.4
99.00880	0.8
101.02444	4.0
110.03738	0.7
113.02448	1.9
125.09740	1.3
127.11292	2.3
131.03470	1.0
137.09726	1.0
137.96362	0.5
149.04538	1.9
161.04532	1.5
165.12860	1.6
167.14476	1.4
171.10275	10.7
177.12885	1.5
179.05573	0.8
181.12314	0.7
183.13939	4.9
185.11829	1.7
191.05051	3.4
193.12320	1.2
195.13753	0.5
197.11928	1.1
209.11809	1.9
211.13400	22.8
212.13713	1.4
221.11824	3.4
222.12289	0.7
229.14458	14.4
230.14825	0.9
233.04570	1.5
235.04025	1.6
239.12860	2.1
240.04294	1.0
251.05594	1.1
255.06628	1.2
279.03079	2.6
291.19626	2.8
297.04056	2.2
309.20782	1.3
314.20572	0.7
327.21777	100.0
328.22122	10.1
329.18729	0.6
399.24127	0.7
417.25192	1.5
459.08804	0.9
459.25949	11.8
460.26364	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	459.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01388	15.6
61.98812	2.3
63.54588	1.0
69.26714	1.1
71.01376	1.7
71.55161	1.9
85.02956	1.6
93.03485	1.7
96.95998	1.2
99.92570	1.7
101.02433	1.1
107.04993	2.3
109.76752	1.0
121.02964	6.0
123.04527	1.1
125.02402	1.0
135.04506	3.2
149.02451	33.2
150.02737	2.2
157.06642	1.9
161.02489	15.3
162.03214	1.5
171.08089	1.5
171.10242	1.3
175.37044	1.0
185.06097	2.0
187.07516	1.2
189.01917	4.0
189.05627	1.2
199.07663	3.2
200.08339	2.7
201.05583	2.1
213.09198	3.7
215.07146	1.2
219.06664	2.8
223.07816	1.5
225.09262	5.5
226.09991	1.9
227.10806	3.4
237.09306	2.9
239.07124	6.0
240.07941	27.0
241.08304	1.9
243.06757	1.5
251.07109	2.0
252.07866	5.6
253.08669	4.4
255.03247	1.4
255.10291	41.7
256.10559	1.8
257.08118	1.7
261.12997	1.2
263.14413	1.7
265.12262	1.3
280.07404	1.5
281.08057	2.4
281.15662	2.6
291.13931	7.8
293.15347	2.3
309.11432	1.7
309.14832	1.8
321.11221	1.2
334.12137	2.4
335.12787	1.3
379.19238	3.1
395.18677	1.5
397.20114	2.5
405.17065	1.5
423.18161	84.6
424.18622	10.3
441.19223	100.0
442.19476	14.5
459.20248	17.9
460.19855	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	459.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58036	0.5
59.01385	100.0
60.01720	1.0
69.03432	0.5
69.77706	1.7
69.78119	1.1
71.01404	4.8
73.02960	2.9
83.01411	0.9
85.02953	1.4
89.02483	2.8
90.96449	0.4
101.02443	3.2
103.63033	0.5
113.02491	2.1
119.03508	1.2
121.03049	0.5
121.40144	0.4
124.11750	0.5
143.03636	0.7
161.04617	1.8
177.09329	0.7
179.05754	0.6
195.10320	0.7
211.07718	2.0
217.57018	0.5
261.08652	0.5
339.14624	1.3
357.15695	2.1
399.16559	3.5
459.13498	1.1
459.18854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01733	1.0
62.06482	0.4
69.30597	1.5
69.31020	1.7
71.01392	4.0
73.02956	1.4
83.01396	0.5
85.02971	1.9
89.02470	0.7
92.86008	0.5
96.96039	0.6
98.61435	0.4
99.00889	0.6
101.02448	2.6
109.58569	0.3
111.08202	1.0
113.02467	1.3
119.05040	0.7
139.07651	5.9
143.03574	0.6
151.00354	0.9
161.04588	2.0
169.01503	0.7
195.10353	0.8
203.05655	1.0
230.82620	0.4
295.09927	0.5
339.08829	1.3
339.14749	0.9
357.15576	2.7
399.16608	3.7
399.23737	0.4
439.70941	0.4
459.13184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1818
Annotation	Dulcisxanthone D
Peak:m/z	Relative Intensity
59.01387	7.6
68.38849	1.1
71.31767	1.8
83.76521	1.0
95.16458	1.2
106.89487	1.0
108.05042	1.2
141.01677	2.3
171.04568	2.3
186.98891	1.0
195.13760	1.3
200.61121	1.1
215.03537	1.5
225.09167	4.1
234.06795	1.5
247.07643	3.6
248.08438	17.4
249.09148	8.6
259.07626	3.9
261.09122	1.7
276.23691	1.1
277.21765	1.8
280.07379	2.6
287.10785	5.8
292.07455	2.0
295.22800	4.2
301.12393	4.5
302.12991	3.9
305.37183	1.1
317.20935	2.4
324.06390	6.0
331.09949	1.1
371.20206	18.4
372.20529	3.1
377.22360	2.2
387.91449	1.1
415.19174	100.0
416.19479	14.0
459.18164	67.0
459.27454	2.0
460.18625	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	459.1817
Annotation	Dulcisxanthone D
Peak:m/z	Relative Intensity
59.01374	3.8
63.55603	1.0
69.22961	6.6
69.23378	2.9
83.04984	1.2
84.04928	0.9
86.79557	1.1
90.85799	1.1
91.57711	0.9
135.04491	3.7
161.06056	2.7
171.04500	1.9
201.12910	1.3
225.09164	3.7
247.07594	3.4
248.08447	17.4
249.09178	7.0
259.07645	3.2
261.09094	1.6
272.08102	1.3
274.13373	1.1
280.07251	1.5
287.10739	4.1
287.13351	1.4
292.07321	3.8
292.18719	1.3
297.14856	1.3
301.12381	4.4
302.13055	2.3
309.58951	1.0
324.06345	6.6
360.48315	1.4
371.20139	18.0
372.20224	1.3
415.19171	100.0
416.19403	13.3
423.18002	4.7
424.18280	1.1
459.18018	57.8
459.35208	2.6
460.18359	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	459.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.7
65.00333	14.9
81.03408	1.2
109.02939	2.0
134.03720	2.0
135.04541	100.0
136.04845	2.8
145.79332	1.3
149.99585	5.1
176.01128	2.6
177.12900	2.0
195.02159	1.4
197.10843	1.4
201.11357	1.3
201.12857	11.5
217.12288	2.1
219.13965	2.8
243.13858	5.3
248.08458	3.6
249.09245	1.7
261.14893	4.6
287.12924	72.1
288.13217	4.8
292.07455	2.2
343.44489	1.6
371.20074	4.6
415.19138	31.5
416.19595	3.0
423.18127	76.1
424.18542	11.0
459.18115	18.6
460.18466	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	459.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13411	2.3
57.45533	2.0
59.01376	9.8
61.98825	3.3
62.31432	2.4
71.55073	3.6
73.97619	2.0
96.96001	3.3
109.02949	3.4
121.02969	2.9
144.08923	2.3
144.17429	2.2
159.04576	2.6
182.83279	2.1
208.23210	2.2
240.04352	3.1
241.05005	5.7
242.05965	3.5
249.05724	2.2
252.19821	2.2
253.05159	2.8
255.06642	7.1
267.06604	2.6
268.03687	2.9
277.21866	2.0
281.02347	1.9
281.04672	21.2
290.31888	2.4
293.04590	11.4
295.22726	2.2
307.06204	4.2
308.10809	2.3
321.07660	3.3
335.09198	4.6
336.10126	8.7
377.17508	3.5
377.22958	7.1
379.19046	12.8
388.31299	2.7
405.11948	3.3
405.17102	41.1
406.17487	8.6
415.19061	6.9
423.18143	100.0
424.18307	13.0
459.18198	6.7
459.35641	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	459.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.1
59.01390	38.8
64.27131	6.1
69.03482	5.7
71.54992	9.4
82.46042	5.4
83.05042	10.4
85.02951	13.9
87.04519	19.0
96.96008	9.5
97.06605	7.6
108.02180	42.2
115.07642	8.5
123.04547	46.7
123.08179	6.8
125.06162	7.6
125.09772	7.4
149.97795	6.5
159.10237	19.3
161.02495	8.7
162.03236	9.8
167.03409	8.9
167.08618	8.7
169.06673	6.5
173.28439	6.8
187.09732	8.4
191.07132	6.6
209.09818	7.7
211.07608	40.1
235.07799	11.4
237.09207	8.1
239.07133	28.3
242.33066	6.4
281.05463	7.6
281.08286	100.0
281.11395	10.9
283.06110	59.8
284.06470	8.8
299.09210	40.1
313.43106	8.4
324.33853	6.2
385.20175	11.7
386.20905	14.8
401.23251	26.9
423.17972	33.4
441.18250	9.6
459.19656	20.9
459.26202	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	459.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00894	0.7
55.01874	0.8
57.03453	4.0
59.01385	23.0
69.87885	2.8
71.01385	11.2
72.99313	0.9
73.02939	3.1
75.00879	1.3
83.01393	1.8
85.02956	3.9
87.00884	1.4
89.02465	6.8
99.00898	0.9
99.04522	2.7
101.02451	6.9
110.60563	0.6
113.02450	4.6
115.03999	0.6
117.03487	1.5
119.03533	1.6
121.02955	1.1
121.05079	3.4
125.02418	0.8
132.02182	16.7
133.02914	0.9
134.03752	29.4
135.04117	1.1
137.02467	1.3
147.04546	1.1
149.06113	4.0
153.05618	1.1
160.01669	77.2
161.02029	3.4
161.04572	1.9
162.03316	0.7
165.05611	1.0
166.05165	0.8
175.04012	100.0
176.04391	5.3
178.02733	1.9
179.03557	0.9
191.07141	2.4
193.05064	42.7
194.05394	2.9
209.04594	0.9
212.52283	0.7
235.06123	6.6
265.07050	0.9
267.07260	1.1
295.08246	1.5
337.09259	1.0
337.15936	0.7
398.26318	0.7
459.15082	65.9
460.15390	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	39.5
59.74693	1.1
66.62451	1.1
71.01379	10.8
71.54395	2.1
73.02930	2.8
73.21350	1.1
83.01376	2.1
85.02943	3.7
87.00873	2.0
89.02454	6.9
89.84307	1.3
96.96017	2.8
97.02916	1.5
99.00939	1.5
101.02460	7.1
113.02455	3.8
117.03423	1.8
119.03454	1.8
121.02919	1.2
121.05087	3.5
132.02185	16.8
134.03749	31.4
149.06064	5.8
160.01672	80.2
161.02058	3.7
161.04634	1.9
166.05084	1.3
175.04008	100.0
176.04401	4.8
191.07184	4.1
193.03374	2.7
193.05069	41.0
209.08182	1.9
235.06097	8.4
237.05630	1.8
247.79475	1.4
359.26596	1.3
365.98886	1.3
439.67609	1.5
459.15036	80.2
460.15448	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	459.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33788	1.3
55.01876	1.7
57.03453	1.6
58.87536	1.2
59.01386	41.4
69.34218	9.2
71.01380	11.6
73.02935	2.5
83.01383	1.9
85.02946	4.5
89.02461	7.9
96.96014	3.7
98.20608	2.3
99.00889	1.3
101.02460	9.0
112.22324	1.1
113.02484	2.9
117.03467	2.2
119.03523	2.6
121.02957	1.3
121.05058	5.5
122.02438	1.3
132.02184	17.2
134.03763	32.4
147.04546	1.7
149.06078	2.8
160.01672	89.6
161.02072	2.3
165.05501	1.5
175.04012	100.0
176.04433	5.5
178.02771	1.2
191.07156	2.2
193.03371	2.8
193.05057	43.6
194.05354	3.3
209.08133	4.3
235.06146	7.4
249.06041	1.3
295.08380	1.8
337.09225	2.8
459.15033	81.3
460.15234	8.5
468.97397	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.13
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01875	0.3
56.50504	0.2
57.03444	0.4
58.00605	0.6
59.01384	26.9
59.95333	0.2
60.01697	0.7
64.63751	0.3
65.03962	1.1
67.01904	0.4
68.78822	0.2
69.03475	0.4
69.03856	0.3
71.01385	7.9
72.99313	0.8
73.02557	0.5
73.02953	6.9
75.00879	0.5
80.02673	0.6
80.26697	0.2
83.01392	1.5
83.42798	0.2
85.02953	1.8
87.00868	0.6
89.02451	3.6
89.99147	0.2
91.01907	4.1
95.01404	0.9
99.00887	0.6
99.04523	2.5
101.02451	5.4
107.01380	0.7
108.02183	2.2
109.02965	9.3
109.88970	0.3
110.03334	0.3
113.02453	2.4
117.03457	0.4
119.03487	1.1
121.02950	0.4
123.00904	0.9
131.03511	0.4
135.00893	7.6
136.01724	1.4
140.82127	0.2
141.07169	0.4
143.03574	0.3
148.01677	0.9
148.05278	0.6
149.02408	0.4
153.01958	1.7
161.02495	0.6
161.04541	0.5
161.13362	0.4
163.00380	3.0
163.07671	0.5
165.07077	0.9
167.08589	0.5
167.10748	0.3
169.06606	0.5
174.01685	0.3
179.05676	0.4
180.05829	0.9
181.06566	0.8
183.08142	0.8
187.05376	0.2
191.03552	0.5
191.14250	0.2
193.06624	2.1
195.04625	0.3
195.10274	1.1
196.52881	0.2
197.06038	0.7
199.07393	0.3
208.05278	3.9
209.06081	4.8
211.07700	1.4
215.50710	0.2
223.07608	0.4
224.04843	0.5
225.05623	0.6
227.07156	17.3
228.07431	1.4
229.10530	0.3
235.13365	0.9
237.05580	100.0
238.05933	6.7
238.08235	0.5
239.07173	1.3
253.05139	0.3
255.06635	5.2
255.09547	0.4
255.10405	0.4
255.27644	0.3
256.07028	0.6
269.04489	0.8
279.16025	8.4
280.16397	0.7
297.04047	6.7
298.04343	0.6
312.85233	0.2
324.80997	0.3
327.18167	0.4
327.21783	0.7
399.11053	0.8
459.13019	71.1
459.22171	2.6
460.13394	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16571	2.9
51.16800	3.4
53.46990	3.1
56.08084	2.9
59.01386	72.3
61.75565	3.5
70.89315	6.7
71.01389	45.9
72.99290	3.5
73.02956	84.9
80.33327	3.1
80.86494	3.0
85.02953	8.7
87.00902	7.8
89.02446	60.4
96.86238	3.0
99.00878	9.1
101.02464	25.2
113.02419	18.5
117.01952	100.0
118.05121	6.7
119.03506	21.0
137.02521	3.1
143.03523	3.9
147.06631	4.8
148.04118	3.9
149.04570	25.9
161.04544	5.5
166.05081	9.4
179.05632	30.3
210.04124	7.2
228.41031	3.8
341.10931	82.8
342.11139	7.3
377.27429	3.3
459.16608	4.9
483.10965	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
57.03455	3.3
59.01385	66.5
61.98843	4.3
67.24427	1.4
71.01391	14.8
71.05032	1.4
71.54909	1.7
72.99320	3.4
73.02949	8.2
81.03469	1.5
83.01401	3.3
83.05045	5.4
85.02940	8.7
86.95710	1.3
87.00885	6.2
89.02442	9.5
97.06606	2.9
99.00848	2.8
101.02457	8.2
113.02481	7.0
114.11823	1.6
119.03490	3.2
121.18555	1.5
122.99576	1.5
125.02425	1.7
131.03520	1.6
135.04561	2.0
139.07658	2.6
139.90627	1.6
143.03523	1.6
149.04526	2.1
157.08783	2.0
158.09053	1.6
161.04591	2.9
165.07076	1.8
167.08669	3.9
169.06581	9.2
171.10255	5.2
181.12361	2.4
183.13885	4.5
193.06644	2.2
202.11061	1.4
202.81612	1.5
209.06084	2.2
211.07652	100.0
211.13277	9.9
212.07942	7.0
213.09468	1.7
229.14484	4.9
237.05531	3.4
237.07690	3.4
240.07736	1.5
255.06633	20.0
255.10374	3.5
268.51053	1.7
291.19632	2.6
312.06207	1.6
315.25314	1.8
327.17816	3.1
327.21753	55.0
328.22147	3.2
399.23889	4.1
401.08765	6.3
413.93597	1.4
417.24832	5.7
441.18686	3.0
459.12997	5.4
459.19867	1.5
459.24878	9.1
459.30545	4.0
460.26010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
57.03455	3.3
59.01385	66.5
61.98843	4.3
67.24427	1.4
71.01391	14.8
71.05032	1.4
71.54909	1.7
72.99320	3.4
73.02949	8.2
81.03469	1.5
83.01401	3.3
83.05045	5.4
85.02940	8.7
86.95710	1.3
87.00885	6.2
89.02442	9.5
97.06606	2.9
99.00848	2.8
101.02457	8.2
113.02481	7.0
114.11823	1.6
119.03490	3.2
121.18555	1.5
122.99576	1.5
125.02425	1.7
131.03520	1.6
135.04561	2.0
139.07658	2.6
139.90627	1.6
143.03523	1.6
149.04526	2.1
157.08783	2.0
158.09053	1.6
161.04591	2.9
165.07076	1.8
167.08669	3.9
169.06581	9.2
171.10255	5.2
181.12361	2.4
183.13885	4.5
193.06644	2.2
202.11061	1.4
202.81612	1.5
209.06084	2.2
211.07652	100.0
211.13277	9.9
212.07942	7.0
213.09468	1.7
229.14484	4.9
237.05531	3.4
237.07690	3.4
240.07736	1.5
255.06633	20.0
255.10374	3.5
268.51053	1.7
291.19632	2.6
312.06207	1.6
315.25314	1.8
327.17816	3.1
327.21753	55.0
328.22147	3.2
399.23889	4.1
401.08765	6.3
413.93597	1.4
417.24832	5.7
441.18686	3.0
459.12997	5.4
459.19867	1.5
459.24878	9.1
459.30545	4.0
460.26010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01576	11.7
70.35807	0.3
71.01224	3.1
71.01665	1.2
71.54939	0.6
73.02789	2.3
73.03244	1.1
75.00752	0.5
83.01276	0.7
83.04951	0.4
85.02785	1.2
87.00735	0.6
88.08539	0.3
89.02279	1.1
89.02820	0.4
91.01772	0.7
93.03331	0.6
95.01292	0.5
99.04420	0.5
101.02260	2.3
108.02052	0.8
108.85564	0.4
109.02773	2.4
109.05553	0.3
113.02268	1.6
117.03317	0.9
119.03352	0.6
119.04915	0.6
121.02838	0.5
121.06406	1.6
132.02040	0.4
135.00702	2.4
136.01535	0.6
143.04874	1.0
148.01588	0.4
153.01758	1.1
161.02232	0.4
161.04399	1.1
163.00215	1.1
167.04903	0.9
169.06606	3.0
171.04401	0.6
180.05721	0.5
181.06468	0.6
185.05928	0.9
195.04494	0.9
196.05101	1.3
197.06084	2.7
208.05156	1.2
209.06017	1.7
212.04637	1.1
213.05592	2.7
223.03857	1.5
224.04762	4.4
224.54863	0.4
225.05582	5.8
226.05956	0.5
227.07155	5.4
237.05594	25.5
238.05905	2.1
239.03462	0.5
239.07111	0.5
241.05035	3.5
247.23900	0.4
251.03467	0.6
252.04173	0.9
253.05130	1.9
255.06696	1.9
267.02927	0.8
268.03732	1.8
269.04593	9.4
270.04910	0.6
279.16080	2.3
296.03329	0.7
297.04068	100.0
298.04407	8.6
327.21927	0.7
332.41003	0.4
357.41333	0.4
417.25388	1.2
459.13464	18.2
459.23062	1.2
460.13992	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	459.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.0
61.98822	3.3
71.01381	1.4
71.55246	1.6
73.02926	1.4
80.46549	1.2
81.03456	1.7
85.02952	1.5
93.55504	1.3
96.56197	1.2
121.03016	1.2
125.02454	1.3
133.02965	4.5
146.03764	6.6
161.02477	1.5
161.06081	5.7
163.04050	2.5
171.04460	2.6
177.35347	1.3
183.04486	4.0
196.05316	1.3
199.04039	7.0
211.03993	10.7
226.02750	3.8
227.03490	19.5
239.03488	4.3
240.04222	2.1
254.02176	2.1
255.03006	36.7
256.03421	2.6
267.02939	1.9
268.03732	9.2
282.01599	3.6
283.02493	81.7
284.02975	7.3
296.03302	9.1
297.04062	38.6
297.06757	1.0
298.04834	100.0
299.05389	12.3
423.17972	1.9
441.18991	5.4
459.10837	4.7
459.20206	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	459.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01576	11.7
70.35807	0.3
71.01224	3.1
71.01665	1.2
71.54939	0.6
73.02789	2.3
73.03244	1.1
75.00752	0.5
83.01276	0.7
83.04951	0.4
85.02785	1.2
87.00735	0.6
88.08539	0.3
89.02279	1.1
89.02820	0.4
91.01772	0.7
93.03331	0.6
95.01292	0.5
99.04420	0.5
101.02260	2.3
108.02052	0.8
108.85564	0.4
109.02773	2.4
109.05553	0.3
113.02268	1.6
117.03317	0.9
119.03352	0.6
119.04915	0.6
121.02838	0.5
121.06406	1.6
132.02040	0.4
135.00702	2.4
136.01535	0.6
143.04874	1.0
148.01588	0.4
153.01758	1.1
161.02232	0.4
161.04399	1.1
163.00215	1.1
167.04903	0.9
169.06606	3.0
171.04401	0.6
180.05721	0.5
181.06468	0.6
185.05928	0.9
195.04494	0.9
196.05101	1.3
197.06084	2.7
208.05156	1.2
209.06017	1.7
212.04637	1.1
213.05592	2.7
223.03857	1.5
224.04762	4.4
224.54863	0.4
225.05582	5.8
226.05956	0.5
227.07155	5.4
237.05594	25.5
238.05905	2.1
239.03462	0.5
239.07111	0.5
241.05035	3.5
247.23900	0.4
251.03467	0.6
252.04173	0.9
253.05130	1.9
255.06696	1.9
267.02927	0.8
268.03732	1.8
269.04593	9.4
270.04910	0.6
279.16080	2.3
296.03329	0.7
297.04068	100.0
298.04407	8.6
327.21927	0.7
332.41003	0.4
357.41333	0.4
417.25388	1.2
459.13464	18.2
459.23062	1.2
460.13992	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	457.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60926	9.1
70.77493	24.7
71.08118	10.1
81.58604	8.8
82.62253	8.9
88.88621	10.0
92.78104	10.4
94.43695	9.7
116.60421	11.3
192.02705	8.7
215.07051	10.2
352.09509	9.4
369.93872	11.2
421.27460	100.0
422.27725	13.8
460.48734	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	457.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.6
71.01366	11.0
74.90489	2.3
88.23195	3.1
89.02450	13.5
101.02460	3.7
119.03505	2.9
124.97019	2.7
179.05635	5.8
205.15898	7.9
207.17542	21.9
219.06618	3.6
246.85260	2.6
275.06894	2.6
277.21744	31.5
379.30164	3.5
397.31052	18.7
413.34100	19.3
435.18115	2.7
457.33066	100.0
458.33630	16.8
466.18039	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	458.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01381	13.7
60.01722	0.5
61.98816	0.4
67.01890	0.7
68.99818	1.0
69.03455	1.0
71.01389	5.3
71.55530	0.3
72.99299	0.3
73.02946	0.9
83.01387	0.5
85.02954	3.7
87.00904	1.4
88.98800	0.3
89.02451	1.7
91.01897	1.2
91.04060	0.4
93.03465	0.6
95.01411	1.0
95.25360	0.3
101.02450	1.4
106.06633	100.0
107.06973	3.1
109.02870	0.3
113.02452	4.1
115.00398	0.3
119.03551	0.5
119.05034	7.0
129.01932	0.5
135.00912	3.3
137.02449	1.0
148.01714	0.3
150.05612	62.0
151.05992	2.4
153.01923	1.2
169.06628	0.4
194.04588	20.9
195.04938	1.3
211.07695	1.8
224.09224	0.5
231.05168	0.8
255.06657	9.0
263.07764	6.1
268.08328	0.5
279.15982	0.4
281.08612	1.5
323.18256	0.3
338.12515	0.6
381.76627	0.3
382.11417	1.9
383.11942	0.4
414.14053	9.8
415.14444	0.9
426.10257	2.6
458.13046	30.1
459.13086	4.6
459.22556	0.5
474.90027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.7
57.03455	0.9
59.01387	100.0
60.01714	1.1
61.98828	0.6
71.01392	13.7
71.54729	0.7
72.99322	0.7
73.02964	7.1
83.01398	2.9
83.05030	0.5
85.02958	5.0
87.00906	0.6
89.02458	5.4
95.01414	1.1
99.00911	1.3
99.56387	0.5
101.02453	8.4
102.66718	0.5
113.02461	9.1
119.03541	1.9
119.05057	0.6
125.02439	0.9
131.03572	1.1
143.03529	1.6
148.04207	0.5
148.05334	1.7
161.04567	3.1
163.07726	0.8
165.09230	1.5
175.04095	0.5
209.08214	6.2
217.15991	0.5
302.56726	0.6
325.16757	1.0
325.20264	0.7
335.12692	1.0
383.58954	0.5
397.22314	3.4
412.03119	0.5
415.23383	4.0
416.23734	0.5
421.21213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29293	0.3
55.01870	0.5
57.03452	0.3
58.00598	0.5
58.51549	0.2
59.01385	100.0
60.01718	1.3
61.52525	0.3
61.98841	0.3
63.93922	0.3
66.16129	0.3
69.17683	3.4
71.01391	9.7
72.99324	0.5
73.02954	4.7
75.00909	0.4
80.00262	0.4
83.01383	1.7
83.05042	0.5
85.02967	4.5
87.00893	2.3
89.02457	4.7
89.68958	0.3
91.01899	0.3
95.01427	0.7
99.00928	1.1
99.04562	0.5
101.02451	5.8
113.02455	6.5
113.03170	0.5
115.00394	2.2
117.03457	0.3
119.03544	1.2
119.04974	0.4
121.06604	4.0
121.07299	0.3
124.05332	3.3
125.02436	0.6
131.03622	0.4
143.03502	0.6
161.02518	0.5
161.04576	1.8
175.02495	3.9
175.03922	0.4
179.05753	0.3
182.49611	0.3
209.06200	1.1
227.19858	0.3
231.53552	0.3
235.17216	0.5
253.18196	0.7
281.04663	1.1
283.02512	0.5
284.03104	0.4
295.06210	1.3
309.04172	0.5
325.20413	1.0
329.87479	0.3
339.05374	0.9
397.22363	9.8
398.22754	1.1
415.16016	0.4
415.18130	0.4
415.23581	3.3
416.23911	0.5
457.11844	0.6
457.16769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.0
61.98821	0.4
63.89149	0.4
71.55374	0.6
77.54757	0.4
80.02679	1.6
86.85643	0.3
96.96014	0.4
106.49485	0.5
108.02184	42.1
109.02500	0.9
123.04539	23.8
124.04839	0.8
144.97923	0.4
151.04083	0.4
152.01190	2.6
153.45679	0.4
161.02513	0.5
167.03506	100.0
168.03835	3.6
217.00388	1.4
238.36206	0.4
264.53650	0.4
307.19214	0.6
409.72797	0.4
425.19321	0.5
457.26096	1.5
458.26474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
59.61100	0.3
61.98837	4.1
65.10960	0.3
66.68245	0.3
71.01402	0.5
71.25307	0.4
71.25660	0.7
74.37346	0.3
78.79711	0.4
80.02673	1.0
83.05054	0.8
85.02988	0.6
93.58495	0.4
108.02190	36.9
109.02517	0.9
122.03742	0.5
123.04543	23.8
124.04845	0.9
146.93349	0.4
151.04153	0.4
152.01161	2.9
161.02473	0.8
162.03267	0.6
167.03517	100.0
168.03870	4.2
174.99272	0.6
175.04010	0.7
205.05096	0.5
217.00311	1.7
219.06659	1.4
225.09143	0.5
251.10730	1.2
253.08746	1.2
278.62415	0.4
295.09818	4.7
296.10001	0.6
297.07861	0.5
313.10834	2.9
363.12451	0.8
374.99347	0.8
381.13568	1.3
394.17297	0.8
425.12473	0.9
457.18323	0.7
457.33060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40963	0.2
57.69237	0.2
58.59200	0.2
59.15289	0.3
69.94309	0.9
82.85720	0.2
96.52692	0.2
98.19877	0.2
99.92590	5.1
100.30659	0.2
100.93373	3.1
112.71881	0.3
115.92089	100.0
116.90742	0.3
116.92097	4.6
116.92881	6.3
117.92517	0.3
132.92390	1.0
142.94464	0.4
152.47479	0.2
159.57378	0.3
171.45543	0.2
172.95502	5.5
173.95415	0.3
283.26352	0.7
349.21902	0.2
383.19012	0.9
399.18527	0.3
409.20618	0.7
423.05920	0.2
439.21582	0.4
457.22617	4.5
458.22995	0.9
474.91013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87252	0.2
55.01878	0.3
57.03459	0.7
58.00598	0.3
59.01384	100.0
60.01720	0.8
69.03462	0.3
71.01387	10.5
71.55748	0.3
72.99294	0.3
73.02950	5.6
75.00912	0.3
83.01415	1.4
85.02955	3.1
87.00883	0.5
89.01896	0.2
89.02448	6.3
93.03468	0.2
95.01391	0.9
96.96014	0.3
99.00903	0.6
101.02448	6.9
113.02456	4.9
119.03525	2.4
125.02451	0.5
131.03459	0.3
143.03555	0.8
149.04604	0.6
161.04556	2.9
169.75803	0.2
179.05589	1.2
202.43208	0.2
228.74007	0.2
239.23428	0.2
295.06357	0.3
323.05792	0.2
337.06815	0.3
397.22333	3.3
409.11368	0.2
415.23404	3.4
416.23959	0.4
457.11407	0.5
457.18488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98843	0.3
65.45616	0.2
67.14020	0.2
71.54853	0.2
73.02966	0.2
80.02688	1.2
102.67115	0.2
108.02189	35.3
109.02492	0.9
121.35173	0.2
123.04544	22.3
124.04884	0.6
151.04033	0.2
152.01166	2.7
161.02466	0.6
167.03516	100.0
168.03853	3.8
217.00348	0.8
225.09253	0.3
237.09294	2.2
238.09438	0.3
281.08218	3.1
289.18088	0.3
297.07739	0.2
307.19324	0.6
341.21436	0.3
343.15826	0.2
364.35910	0.2
374.99551	0.3
413.23172	0.4
457.22168	0.9
457.33612	0.6
478.52240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45581	0.2
54.91941	0.3
57.03436	0.4
59.01376	1.1
61.98841	0.4
69.43801	2.2
71.01356	0.3
71.04964	0.3
80.02684	1.2
81.52878	0.3
83.05013	0.8
87.00879	0.7
96.95988	0.4
107.05051	0.6
108.02184	37.2
109.02496	0.7
121.03041	0.3
123.04538	22.9
135.04532	0.6
152.01169	2.6
159.04518	0.4
165.01880	0.4
167.03506	100.0
168.03831	3.5
175.07631	0.9
201.05554	0.5
217.00224	0.5
219.06664	3.6
220.07166	0.4
237.09248	0.4
241.08696	0.6
269.08206	0.4
281.08282	0.4
297.07678	0.6
307.19394	0.6
326.35760	0.3
341.10327	1.0
346.63382	0.4
407.14832	0.6
425.16217	1.0
439.17572	1.3
457.18497	1.7
457.23163	0.7
457.27704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76060	0.4
58.21964	0.4
59.01387	3.0
65.00324	0.5
71.01379	0.4
71.54888	0.5
71.55262	0.5
73.02959	0.4
80.02678	1.4
83.01393	0.5
85.90264	0.4
87.04526	0.6
107.05021	0.7
108.02181	40.7
109.02486	0.8
120.82233	0.3
123.04537	23.9
124.04832	0.6
135.04572	0.6
136.01656	0.7
151.04041	0.6
152.01152	2.6
157.06569	0.7
159.10210	0.5
161.02470	0.5
167.03505	100.0
168.03839	3.7
175.07675	1.2
190.06276	0.9
191.07175	1.8
201.05592	1.4
217.00323	1.8
219.06599	2.1
225.09280	1.1
227.06886	0.5
240.04214	0.4
241.08817	1.2
253.08701	0.7
268.07620	0.4
279.14355	0.6
294.05399	0.6
296.03275	5.2
296.06531	0.7
297.03708	0.9
374.99417	0.8
378.92740	0.5
400.72748	0.5
413.19431	0.6
439.17474	4.3
440.17865	0.5
457.04810	0.7
457.18326	5.9
457.27029	0.6
458.19299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01386	100.0
59.59919	0.6
60.01709	0.9
63.14735	0.6
63.66177	0.7
69.25142	5.9
71.01394	10.0
73.02955	4.8
83.01396	1.8
85.02977	3.1
87.00873	0.8
89.02458	5.0
93.29896	0.7
95.28352	0.7
98.19950	1.7
101.02461	8.0
113.02462	5.1
119.03529	2.5
125.42462	0.6
133.58325	0.7
143.03465	1.2
161.04619	2.6
179.05588	1.0
208.65248	0.7
267.06604	3.3
295.06061	3.2
307.06461	0.7
397.22479	2.9
415.23898	1.5
457.11411	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52711	0.3
56.97158	0.4
59.01381	0.9
65.00327	2.1
65.35786	0.3
69.50829	2.3
89.00353	0.8
91.01870	0.4
97.02945	2.3
98.20704	0.7
120.15119	0.3
121.02960	1.0
124.01672	16.5
125.01981	0.7
139.04021	11.7
140.04385	0.5
149.99583	0.8
165.01942	36.6
166.02255	1.3
167.66122	0.4
168.00641	1.0
168.66486	0.4
183.02995	100.0
184.03317	4.6
187.52187	0.4
190.40488	0.3
391.19165	0.4
457.33124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38020	0.2
59.01375	1.1
61.98837	0.4
69.48031	0.3
69.48437	1.2
77.22611	0.2
80.02688	1.2
85.02962	0.2
87.00846	0.2
97.06570	0.3
108.02181	34.8
109.02482	0.9
122.53943	0.2
123.04534	23.2
123.33000	0.2
124.04858	0.4
144.05515	0.2
149.29745	0.2
152.01160	2.4
167.03503	100.0
168.03851	3.7
174.99277	0.2
177.02057	0.2
186.20259	0.2
199.93764	0.2
214.69977	0.2
217.00323	1.0
307.19150	0.8
333.24496	0.2
374.99020	0.5
399.21762	0.3
457.21625	0.3
457.26694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13445	0.2
59.01379	0.6
69.60768	0.6
69.61198	0.8
80.02666	1.3
85.17857	0.2
104.53008	0.3
108.02183	33.7
109.02525	0.8
116.92869	0.8
117.92864	0.5
118.92688	0.8
123.04533	21.8
124.04868	0.9
124.17083	0.2
152.01169	1.8
152.65161	0.2
167.03503	100.0
168.03854	3.9
247.56384	0.2
272.79074	0.2
273.49573	0.2
289.17999	0.3
341.21362	0.3
389.75623	0.3
457.22464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13700	0.5
55.01884	0.7
57.01506	0.5
57.03464	0.9
58.00607	1.3
59.01385	100.0
60.01708	0.6
62.83003	0.5
69.03460	3.8
71.01387	36.5
71.55338	0.6
71.55746	0.6
72.01753	0.5
72.99311	1.8
73.02950	6.6
75.00897	1.2
78.43459	0.5
78.54325	0.4
81.03471	1.5
83.01398	3.8
85.02958	6.4
87.00912	1.4
89.02454	39.4
92.20258	0.5
95.01421	1.3
96.82421	0.4
97.02946	4.8
99.00891	5.4
99.04621	0.5
101.02454	11.5
111.00940	0.7
112.01742	0.5
113.02457	7.3
115.04027	1.6
119.03543	2.2
121.02982	0.7
121.06586	1.1
125.02458	19.1
126.02855	0.7
129.54489	0.5
131.03522	4.9
143.03523	1.4
147.04521	0.5
148.05322	23.8
149.04582	7.2
149.05629	0.9
161.04610	1.7
163.07657	7.9
167.51810	0.5
168.74828	0.5
185.21976	0.5
190.79140	0.7
191.05623	3.2
233.06689	10.7
235.13257	0.6
293.08813	8.6
295.06152	0.6
340.60083	0.5
397.22385	0.9
415.23349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.6
59.01386	100.0
60.01719	1.6
60.14649	0.6
69.03454	0.6
69.57350	1.4
69.57777	2.0
71.01389	10.1
72.99329	0.6
73.02953	5.9
75.00868	0.9
83.01407	1.8
85.02958	3.7
87.00881	0.6
89.02451	4.1
95.01432	1.2
99.00918	1.0
101.02466	7.6
113.02459	6.2
119.03546	1.9
119.04996	0.6
125.02462	0.6
131.03603	0.7
137.27647	0.5
143.03543	0.6
143.07205	2.1
145.02902	0.7
149.02477	0.9
151.89825	0.5
153.60799	0.5
161.02441	0.5
161.04637	1.7
163.04079	1.5
178.06412	1.7
179.05562	0.8
179.68629	0.5
189.02235	0.5
193.08702	3.0
233.15321	0.6
235.16977	0.6
236.57813	0.5
251.07401	0.6
263.07288	1.0
265.05066	0.8
267.06638	2.5
269.04666	2.1
277.05185	1.7
279.06616	1.1
289.18274	1.2
291.06754	1.4
295.06155	4.2
307.06177	1.4
319.06183	1.4
325.20251	1.4
329.37411	0.6
397.09094	2.7
397.22211	2.9
415.23352	3.6
457.11728	2.2
457.24841	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	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
61.98835	0.6
62.55202	0.3
68.50613	0.3
69.42976	2.6
71.01390	3.4
72.99310	0.4
73.02957	1.2
74.11571	0.3
75.00887	0.4
83.01395	0.5
85.02973	0.9
87.00852	0.3
89.02469	2.1
89.02929	0.4
93.03487	0.8
96.96018	2.8
98.95612	1.3
99.00897	1.2
99.15042	0.3
99.92541	0.4
101.02454	2.1
113.02441	1.1
115.92100	0.6
116.92892	2.0
119.05038	100.0
120.05363	4.0
125.02501	0.5
131.03537	0.4
132.04510	0.3
133.06671	0.5
135.04544	1.1
135.07646	0.3
145.02975	0.5
147.04565	0.4
150.05713	0.5
153.79587	0.3
161.04639	0.4
161.06082	0.4
163.04022	96.0
164.04369	3.7
179.03525	1.1
189.18457	0.3
191.07233	0.5
192.45930	0.4
194.04538	0.4
205.05051	1.6
206.05513	0.4
233.11816	0.4
262.96445	0.9
277.10736	0.5
303.07278	0.4
323.17303	0.4
324.17435	0.5
325.09372	1.2
325.17691	1.1
326.89743	0.4
334.98483	0.5
337.08826	0.3
395.00745	1.1
397.17221	0.7
457.13513	21.4
457.18347	0.9
458.13788	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.3
69.43015	1.9
69.43422	0.8
70.09166	0.3
71.01395	2.2
73.02959	1.0
85.02972	0.8
89.02451	1.2
98.20621	0.5
99.00896	1.7
101.02462	0.7
113.02463	0.6
117.03445	0.5
119.05037	100.0
120.05370	4.0
126.23765	0.4
133.06711	0.4
134.03717	0.4
145.02985	0.8
161.06076	0.7
163.04022	51.0
164.04407	2.2
203.03516	0.6
205.05069	1.4
325.09357	0.6
457.13531	57.5
458.13892	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	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.3
58.02916	1.0
59.01385	13.7
59.47490	1.2
67.01871	2.6
68.51845	1.1
68.77296	1.2
68.99802	3.2
69.03447	1.7
69.38760	4.9
69.39193	3.8
71.01387	13.3
80.33105	1.0
83.01353	1.2
85.02958	13.4
87.00872	4.9
87.80783	1.3
89.02455	1.9
89.03989	2.9
95.01380	2.8
96.96009	4.8
99.00891	1.3
103.00371	1.6
103.43322	1.5
111.00888	2.5
111.44306	1.1
113.02472	17.5
117.03481	8.7
121.19475	1.1
128.44958	1.2
129.01892	1.5
132.02185	1.7
133.02968	4.4
134.03752	100.0
135.04237	3.4
139.00310	1.7
149.06094	9.0
160.01669	7.7
161.02437	3.9
175.04016	8.8
179.03418	2.0
193.05066	71.1
194.05350	2.8
205.07146	2.1
215.19240	1.1
249.06201	3.1
249.32053	1.1
253.07069	1.8
263.07730	16.0
267.08771	3.9
281.05835	2.4
281.08798	39.0
282.09094	2.6
295.10419	2.1
302.47278	1.2
333.72690	1.1
381.12054	5.8
394.44009	1.3
425.10870	5.1
426.11646	1.6
457.13507	40.5
458.13907	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	457.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17220	0.5
50.93926	0.6
51.26713	0.6
58.63551	0.5
59.01386	31.4
60.65938	0.5
61.98837	3.5
63.18253	0.5
71.01389	6.5
71.05011	0.6
71.55370	0.8
73.02953	3.7
75.67570	0.5
79.05552	1.1
80.76764	0.5
83.01401	1.3
83.05036	0.9
84.51018	0.5
85.02958	1.6
87.00874	1.4
89.02461	3.0
95.01382	0.9
96.96037	1.0
97.02961	1.1
98.95624	0.9
101.02451	4.9
107.05043	11.8
111.04552	0.8
113.02464	2.5
114.38038	0.6
119.03542	0.8
124.83619	0.5
131.08630	1.2
133.06587	1.3
139.00375	7.8
148.01607	0.7
149.02434	0.6
151.03967	0.7
153.01950	1.0
154.02750	7.8
157.06602	6.2
159.04541	2.0
160.05301	1.1
161.02431	0.9
161.04620	1.2
169.05081	6.0
173.05966	0.7
175.07651	17.6
179.03445	0.5
193.06635	4.4
194.06950	0.8
197.11842	0.7
201.05586	17.1
202.05899	0.8
213.09230	0.9
219.06630	100.0
220.06958	6.6
223.07547	0.5
225.09131	1.0
227.07095	0.7
235.06120	1.0
235.17052	1.0
237.09241	1.8
253.08745	0.9
253.18062	2.1
253.20358	0.6
255.05020	2.9
257.08160	0.9
258.41714	0.5
267.06143	0.7
281.08603	0.7
281.11829	0.8
284.03250	0.6
285.07828	0.9
296.03180	3.8
297.04062	0.7
298.04745	0.9
299.05658	0.9
318.88788	0.6
325.13947	1.1
325.20114	0.9
351.14655	0.6
397.02438	0.8
397.22372	2.0
415.23242	3.3
439.17596	1.2
442.08682	0.6
457.18628	6.5
457.24603	5.1
458.18839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61174	0.3
57.03462	0.4
58.91703	0.3
59.01388	16.9
59.28103	0.3
65.00324	0.8
67.81704	0.3
67.94276	0.3
71.01403	2.8
71.54397	0.5
72.20570	0.3
73.02949	1.0
77.03975	3.0
79.01904	3.2
83.01399	0.5
83.95017	0.3
85.02972	0.9
89.02438	0.8
89.03958	0.5
93.03455	0.4
95.01382	0.4
97.02989	0.3
101.02464	2.0
105.03466	1.2
113.02447	1.2
117.03472	1.1
119.03526	0.4
119.05048	1.2
121.02969	2.8
124.05328	0.8
125.07193	0.3
137.02414	0.3
143.05037	3.1
145.02954	4.4
152.50034	0.3
157.06566	0.4
161.02477	0.4
161.04617	0.4
163.00414	0.8
165.01955	2.0
167.08638	0.7
169.48293	0.3
175.00397	0.6
179.08673	0.6
180.05821	1.0
181.06622	2.8
182.06529	0.3
193.06708	0.5
194.07310	0.8
195.08128	1.0
208.05263	0.8
209.06084	1.1
211.03917	0.4
211.07576	0.5
221.06001	0.4
222.06743	0.3
223.07663	5.2
224.05035	0.4
224.07901	0.4
235.07640	1.0
237.05577	1.4
238.06419	1.6
239.07091	1.4
250.76025	0.3
251.07195	0.7
253.05070	5.7
254.05373	0.4
263.07239	1.2
265.05078	10.6
266.05780	3.6
267.06638	61.9
267.66159	0.4
268.04269	0.5
268.06934	4.6
277.05103	3.4
278.05435	0.5
279.06619	8.9
280.06940	0.8
292.03848	0.4
293.04605	1.6
295.06134	100.0
296.06470	9.4
298.04874	2.9
305.04657	1.3
305.07895	0.4
306.05283	0.7
307.06143	15.8
308.06500	1.0
323.05765	0.7
325.07196	25.5
326.07516	2.8
337.07315	1.6
338.07736	0.4
351.08649	0.4
355.08469	0.7
361.07224	1.1
377.84268	0.3
379.08414	2.3
397.09283	7.8
397.22113	2.3
398.09537	0.9
398.23007	0.4
415.23352	2.3
457.11438	30.3
458.11734	4.2
461.80649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	27.5
59.94532	0.7
62.35486	0.7
69.95065	4.0
71.01385	4.5
73.02950	2.3
83.01382	1.0
85.02955	2.3
89.02455	2.0
98.20650	1.0
101.02434	3.6
113.02472	2.0
114.75414	1.0
161.04619	1.4
165.07106	13.4
167.05029	4.9
209.06093	100.0
210.06409	7.3
267.06711	1.6
295.06064	2.7
397.22260	1.3
415.23337	1.5
433.96323	0.8
457.11578	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72890	2.5
55.71240	2.5
57.03429	4.3
59.01384	22.6
61.98834	10.4
64.81708	2.6
71.01376	7.0
75.92966	2.5
79.05537	2.5
83.01391	2.7
83.05060	2.5
85.02962	3.2
87.00906	3.1
87.04561	2.2
89.02435	3.7
90.62797	2.2
91.60741	2.6
93.03472	2.7
95.05040	3.9
96.96045	3.8
97.06625	5.7
101.02462	3.5
105.16372	2.2
107.05050	14.6
108.02180	6.1
113.02464	3.9
119.05028	10.8
122.03772	4.8
123.00910	2.6
123.04535	5.0
135.04562	12.9
137.02512	3.2
139.00380	27.0
151.00421	3.2
151.04097	3.1
153.01935	6.3
154.02745	28.4
157.06657	6.7
161.02431	3.2
163.03963	4.3
167.03459	12.1
169.05058	16.7
169.06506	4.3
169.10269	2.9
175.07649	18.0
190.53728	2.5
201.05589	17.2
211.07736	2.8
213.09250	14.4
217.00215	6.2
219.06641	100.0
220.06894	5.2
225.09265	3.8
227.07030	4.0
237.09250	4.7
239.07199	10.6
241.08719	18.9
253.08722	6.6
255.05109	13.8
267.06741	14.8
281.08261	3.9
284.06638	2.6
285.07767	17.9
295.22461	3.0
297.07709	5.2
352.11560	4.4
374.99130	2.9
397.06161	3.8
405.24817	2.6
425.10727	3.8
425.16110	51.4
426.16107	8.1
439.17340	5.7
441.23126	3.0
457.08841	3.9
457.18567	79.9
457.27982	14.6
458.18942	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	457.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.8
57.03442	1.0
59.01385	63.7
59.94506	0.4
60.01722	1.0
65.00355	1.2
67.40034	0.4
68.43555	0.5
69.82140	2.3
71.01389	9.9
73.02944	3.3
77.03979	3.8
79.01892	3.2
83.01394	1.1
85.02949	2.2
89.02465	4.3
89.03962	0.7
95.01408	1.4
97.03021	0.6
98.19885	0.6
99.00920	0.7
101.02448	6.9
105.03484	1.2
113.02477	4.3
117.03445	1.0
119.03500	1.5
119.05048	1.2
121.02957	2.2
124.05322	2.1
134.03752	0.5
136.01657	0.5
143.03590	0.9
143.05034	2.9
145.02974	5.3
149.02451	0.8
157.06593	0.6
159.03014	0.5
161.02489	0.6
161.04594	2.0
163.00380	1.0
165.01984	2.8
167.08661	1.2
171.04506	0.4
175.00363	1.1
180.05853	0.5
181.06633	3.1
185.06128	0.4
193.06694	0.5
194.07333	0.9
195.08174	1.5
209.06044	0.9
221.06088	0.5
223.07668	6.4
224.08003	0.7
235.07684	0.7
235.17081	0.5
237.05566	1.5
238.06310	1.3
239.07132	1.6
251.07298	0.6
253.05066	6.0
253.18153	1.2
263.07071	1.2
263.68192	0.5
265.05054	11.0
266.05872	3.4
267.06635	66.3
268.06949	5.1
277.04993	3.7
279.06668	9.7
280.07101	0.8
289.05225	0.6
291.06720	0.7
292.03848	0.5
293.04617	1.4
295.06134	100.0
296.06451	8.5
298.04776	2.4
305.04590	1.2
307.06149	15.0
308.06491	1.5
319.06177	0.7
323.05591	0.8
325.07196	24.7
326.07547	2.3
337.07281	1.6
355.08459	0.4
361.07312	1.2
379.08200	1.8
397.09277	6.6
397.22293	7.0
398.09683	0.8
398.22739	0.8
415.23428	7.3
416.23538	1.0
457.11441	30.5
458.11661	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	457.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.8
59.01392	8.1
61.98819	0.9
67.90426	0.7
68.99796	0.8
69.03429	1.1
69.31646	5.7
71.01389	8.9
72.99290	1.0
73.02930	2.3
75.00871	1.4
79.89446	0.6
82.95348	0.7
83.01381	2.0
85.02962	4.4
87.00881	1.4
89.02448	3.9
93.03469	28.9
94.03766	0.8
95.01395	1.3
96.96046	0.9
97.02911	1.1
99.00890	4.2
101.02436	2.5
103.03960	0.7
109.02930	1.3
111.00900	1.2
113.02509	4.3
113.99592	3.7
115.00375	8.5
117.03482	0.7
119.05041	100.0
120.05408	3.2
123.04592	1.0
126.90395	0.6
127.00384	1.0
129.01991	1.0
129.39349	0.7
131.03496	1.1
133.01457	11.8
133.06586	0.7
134.03709	0.7
135.04549	7.4
137.02460	57.4
138.02843	1.5
139.00380	1.2
145.02966	1.1
149.04616	1.0
151.04092	1.0
157.01465	2.2
161.02486	1.3
163.04025	53.8
164.04439	2.1
164.08510	1.0
174.01738	4.3
175.02606	0.8
179.03522	9.7
193.08777	1.5
203.03534	1.3
205.05194	0.9
205.08830	0.9
233.12022	0.8
244.62369	0.7
251.09491	2.0
277.05554	7.4
281.08795	0.7
295.08475	0.9
303.07492	0.7
312.71109	0.7
325.09409	0.9
337.07800	41.0
338.08667	2.8
341.08847	7.4
403.85233	0.8
413.15161	1.6
417.72015	0.8
457.14352	42.3
458.14606	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	455.3534
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
59.01366	0.4
71.54231	0.3
95.04592	0.2
97.02964	0.3
110.03734	0.2
110.37618	0.2
115.57510	0.2
158.61993	0.2
210.95981	0.2
217.50896	0.2
219.06609	0.3
231.36865	0.2
242.89711	0.2
409.35007	0.2
425.30893	0.4
450.63663	0.2
455.35330	100.0
456.35681	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	456.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73066	1.4
59.01385	8.6
60.82133	1.2
61.98838	5.0
69.72561	2.7
69.72973	4.1
71.01379	9.0
72.99307	2.2
73.02937	2.0
75.00878	1.3
83.05045	4.5
85.02964	3.4
87.00880	3.3
89.02444	8.9
96.96011	3.3
101.02443	3.1
111.06910	3.7
113.02444	3.9
115.00388	1.6
119.05069	7.6
126.09267	23.0
128.10796	1.6
133.05028	1.8
147.06639	1.5
148.63823	1.4
149.04582	3.2
154.08810	1.5
161.04646	1.5
163.04004	7.2
174.11351	4.0
174.99300	1.3
204.12422	100.0
205.12868	6.0
208.97829	1.3
217.00264	1.8
218.14034	5.2
255.11261	1.1
294.97650	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28220	0.3
50.32990	0.3
59.01386	2.0
69.37393	0.5
69.37800	2.4
74.75880	0.3
79.17287	0.3
83.05058	0.3
85.02972	0.5
87.04515	0.7
90.49828	0.3
93.03494	0.4
96.96012	0.3
107.05091	0.5
108.02178	4.3
119.93545	0.3
120.05368	0.3
121.02968	0.6
123.00887	0.5
123.04525	2.5
124.01756	0.3
125.02460	0.3
132.02274	0.4
133.02937	0.6
136.01688	0.4
137.02466	0.5
146.03751	4.7
153.01904	0.5
155.05046	0.3
157.06668	0.4
159.10287	0.6
161.02434	1.7
161.06075	4.1
165.01894	0.4
167.03516	11.7
167.04970	1.0
171.04504	0.4
174.03183	0.5
174.99210	0.4
175.07637	0.4
183.04524	1.2
184.05296	0.8
195.04556	3.0
196.05254	0.8
199.03958	0.4
201.05553	0.8
202.02721	1.3
210.03146	0.5
211.04030	3.1
212.04776	2.3
213.05429	0.4
215.03542	0.5
217.00288	1.1
219.06662	0.8
223.04028	1.6
224.04778	2.1
225.05434	0.5
227.07236	0.3
234.01704	0.9
239.01245	0.6
239.03522	6.6
240.04254	2.6
241.05008	0.6
251.03510	0.5
252.04280	0.5
257.08203	8.9
258.08548	0.5
267.03076	3.3
268.03821	2.5
269.04361	0.8
295.02585	2.3
296.03275	100.0
297.03790	12.6
313.07062	0.3
321.04184	0.6
348.98926	0.3
374.99484	0.3
410.68930	0.3
413.19595	0.4
414.07394	0.5
425.12399	7.2
426.13208	0.9
429.09781	0.7
439.17383	0.5
457.09415	3.5
457.18668	2.0
457.26193	0.9
458.09799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	10.9
61.98837	3.5
99.92616	2.3
108.02206	5.0
109.06593	4.0
116.92879	6.6
133.02933	2.2
135.04510	2.4
137.02628	1.9
167.03485	6.1
170.05948	3.0
187.02325	2.3
212.74994	1.9
218.05531	2.3
233.19086	3.0
277.18109	100.0
278.18484	7.7
279.19693	17.2
280.20139	2.5
291.19565	3.5
295.16055	2.9
295.19202	43.1
296.19458	3.2
363.25320	11.1
369.22870	46.2
370.23175	5.4
401.34863	2.3
411.29019	3.1
425.43103	2.1
455.23593	2.0
455.35614	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	455.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.1
61.18156	1.6
61.98833	2.6
66.31660	1.7
70.05864	7.9
71.01376	4.6
83.05000	1.6
85.02962	1.7
98.20623	2.1
108.02134	2.9
109.02975	5.2
113.02502	4.0
116.92873	3.8
122.03779	2.7
123.04533	1.8
135.04507	3.2
153.12894	10.6
163.11375	8.3
165.09177	3.6
165.12839	10.6
167.03552	2.7
170.05891	2.3
179.10811	5.0
181.12354	100.0
182.12665	5.1
197.11798	9.6
199.13429	44.8
200.13739	3.8
215.12837	3.1
219.06544	2.3
221.84534	1.9
225.09161	2.4
241.12445	1.8
297.07767	2.4
313.14502	1.7
363.25449	19.3
364.25891	4.9
367.88980	1.8
381.26456	5.9
395.08685	2.2
420.06161	2.0
455.29553	10.6
455.35602	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	455.2808
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
57.03448	0.7
59.01380	1.1
61.98835	0.7
65.23928	0.4
71.01397	0.9
73.02932	0.5
75.00842	0.5
78.55244	0.4
83.04993	0.4
85.02975	0.5
87.04530	1.0
87.10480	0.4
107.05064	0.6
108.02203	1.0
121.02998	0.7
122.03757	1.4
123.04527	0.9
133.02928	0.6
134.03738	1.5
135.04543	6.1
136.05200	0.4
137.06088	0.6
138.03236	0.9
147.04529	0.4
148.01675	1.7
148.05255	0.5
149.02475	1.1
157.06580	1.6
159.04512	1.1
161.02519	1.9
161.17430	0.4
162.03255	10.7
163.03957	1.8
165.01955	1.3
170.07365	0.6
171.08165	1.8
171.90163	0.4
172.05386	0.8
173.06097	1.2
175.04021	1.5
175.07623	1.9
175.11328	0.4
177.09270	0.7
185.09727	1.1
186.50713	0.4
187.07675	0.8
187.11127	0.6
188.08409	1.8
189.09113	0.7
190.09808	0.5
193.01277	0.4
199.04047	0.5
200.04713	0.4
201.05617	2.4
201.09196	1.2
201.83888	0.4
202.06409	0.8
203.07198	0.7
203.10791	11.1
204.11046	0.6
213.09253	0.7
215.07144	7.0
215.10622	0.5
216.07951	2.4
217.08540	0.8
217.12431	0.6
217.15968	0.8
219.06627	3.1
229.08727	7.0
230.08992	0.4
231.10274	6.2
232.10892	0.5
259.09750	6.5
260.10281	0.9
287.13177	0.4
301.07190	0.8
303.12469	3.0
304.12854	0.7
369.20706	0.5
373.77652	0.4
386.21008	0.7
409.27643	0.7
437.27316	0.8
439.24902	0.5
455.28094	100.0
456.28473	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	455.2805
Annotation	CHEBI:69576
Peak:m/z	Relative Intensity
59.01376	2.5
61.06247	0.8
69.50159	3.8
69.50563	1.5
70.30923	0.9
71.05051	1.2
87.84586	0.7
90.77906	0.8
96.96090	0.7
97.89613	0.9
107.05032	5.9
109.02979	0.8
121.02972	1.0
122.03752	17.7
123.04556	1.1
131.08696	2.2
134.03763	1.3
135.04538	81.9
136.05386	7.8
137.06100	4.9
141.61058	0.8
145.02988	0.9
146.19011	0.8
147.04514	1.5
148.05313	9.9
149.06075	3.0
151.03925	0.9
155.29707	0.8
157.06592	1.4
159.04533	5.1
160.05301	3.9
171.08159	2.4
172.05307	1.2
173.06105	4.1
174.06865	31.2
175.07645	7.4
176.08281	1.1
177.09186	1.5
188.08516	5.1
189.09201	8.8
190.09807	1.2
201.05586	2.3
213.09225	0.8
219.06572	6.3
241.12398	1.4
245.15524	0.8
256.14651	1.3
257.15283	0.9
258.16254	2.5
271.17029	3.8
273.18658	7.9
301.18097	17.0
302.18594	1.2
322.36310	0.8
342.22003	100.0
343.22354	10.1
386.21112	2.7
393.28046	12.7
394.28549	2.5
396.26849	1.6
411.29053	83.0
412.29462	13.0
455.27991	21.1
455.35345	4.5
456.28235	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2807
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
55.11637	0.3
57.03439	0.4
59.01377	1.0
70.27214	1.1
71.01385	0.8
72.02147	0.5
73.02943	0.4
83.05054	0.3
85.83307	0.3
87.04529	0.5
107.05045	0.5
108.02190	0.6
121.03050	0.4
122.03732	1.4
122.90704	0.3
123.04566	0.5
135.04530	3.5
136.05316	0.4
137.09676	0.3
140.67107	0.3
144.33070	0.3
148.01674	1.3
155.10721	0.4
157.06584	0.9
159.04552	0.8
159.08191	0.4
161.02403	0.6
162.03246	2.0
167.03510	0.8
171.08173	8.8
172.05350	0.4
172.08562	0.5
173.06102	1.1
174.06873	2.0
175.03896	1.5
175.07603	0.9
185.06097	1.4
186.03313	0.4
187.07658	1.3
188.08446	8.2
189.09052	1.0
201.05591	2.9
202.06328	0.6
203.06978	0.4
213.05675	0.3
215.07140	9.3
216.07892	7.1
217.08525	0.7
219.06642	1.0
271.17084	3.1
299.16483	2.4
300.17041	0.4
305.47220	0.3
311.16653	0.5
311.40109	0.4
327.16025	0.9
332.98898	0.4
371.18564	2.3
437.27060	0.7
439.24979	1.1
440.25540	0.4
453.26483	1.3
455.28098	100.0
456.28464	15.4
456.35095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.9
57.03449	2.1
58.00597	1.0
59.01386	100.0
69.03470	0.6
69.43873	3.0
71.01391	25.6
71.01785	1.3
72.99310	1.3
73.02956	9.8
75.00887	1.2
77.44008	0.5
83.01398	4.6
83.05031	0.6
85.02953	9.5
86.86193	0.5
87.00899	2.8
89.02452	11.2
89.52006	0.6
95.01421	1.8
97.02988	0.6
98.20631	1.1
99.00921	1.9
101.02451	15.3
113.02457	11.5
113.03170	0.9
119.03535	3.0
119.05052	0.9
122.03819	1.0
124.05317	8.8
125.02408	0.6
125.06120	0.9
131.03587	0.9
137.02469	0.6
141.02014	0.8
143.03531	2.1
145.53017	0.5
151.07666	1.6
153.09219	3.3
159.03035	1.1
161.04597	2.2
163.11319	1.1
165.09291	0.9
172.05379	0.5
217.15952	0.6
233.15469	6.7
233.52597	0.6
235.17064	11.3
235.19275	0.7
251.16576	10.1
252.17038	0.8
395.20743	25.8
396.20932	3.5
413.21854	28.9
414.22061	3.0
455.23151	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	455.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01726	1.1
61.98852	1.0
65.00346	0.7
68.94591	0.4
69.56361	1.8
69.56775	1.3
71.01404	1.8
73.02969	0.6
74.98402	0.5
79.27679	0.5
83.01437	1.0
83.05056	0.5
85.02955	0.8
89.02505	0.6
97.02937	0.6
101.02465	0.9
107.01401	1.1
107.05046	0.5
108.02195	1.4
113.02464	0.6
119.05067	1.7
121.02980	0.6
123.04548	0.6
125.02454	0.6
134.03778	0.7
135.04523	5.0
136.01656	0.9
137.06160	0.4
144.30115	0.5
145.02997	0.4
151.00426	2.0
152.01080	0.5
158.84741	0.7
161.02533	0.7
164.01221	1.3
167.03555	0.5
174.03214	0.5
177.01997	1.1
183.04839	0.5
195.04564	1.6
196.00241	1.8
199.04137	0.8
211.04097	1.2
217.05119	0.5
219.06709	0.6
223.07787	0.5
225.09300	0.5
226.09903	0.9
227.10831	0.7
239.03525	6.8
240.03993	0.7
241.05270	1.0
241.12570	0.9
252.07974	0.5
254.05907	3.8
255.06499	0.6
255.10423	0.8
258.92279	0.4
267.03079	2.3
269.11972	1.7
277.14545	0.6
282.05344	20.1
283.05954	1.5
286.04874	3.6
297.07703	22.3
298.08130	1.7
319.12085	1.0
437.16266	1.0
441.28641	0.5
455.06845	3.0
455.16516	7.9
455.26901	1.2
455.35587	0.5
456.17371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2818
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
53.99410	0.3
56.18820	0.2
57.03435	0.4
59.01377	1.1
61.98830	0.5
70.34116	0.6
70.34481	0.6
70.91589	0.2
87.04517	0.7
96.95996	0.2
108.02168	0.4
112.98582	0.4
122.03741	0.9
123.00925	1.5
123.04561	0.4
124.01661	2.5
129.07141	0.5
135.04535	2.4
138.03241	0.3
139.04001	1.4
148.01671	0.9
148.05283	0.3
149.02443	0.3
157.06583	1.4
159.04535	0.3
161.02437	0.7
162.03249	1.9
165.01959	0.4
167.03510	0.4
169.36444	0.3
171.08179	10.3
172.08530	0.4
173.06052	1.2
174.06900	1.6
175.04004	1.5
175.07663	0.5
185.06082	1.9
187.07722	1.5
188.08435	9.4
189.08936	0.9
200.04779	0.4
201.05579	2.3
202.06248	0.3
213.05563	0.6
215.07130	12.3
216.07909	9.6
217.08411	0.4
219.06593	0.6
220.06966	0.4
254.88145	0.3
261.14832	0.3
262.15140	0.3
263.15549	0.4
278.05240	0.2
284.14252	0.9
339.23190	0.7
367.22818	1.0
379.22742	0.4
411.21048	0.6
427.20151	1.0
439.24905	0.6
453.26605	0.8
455.28061	100.0
456.28375	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	455.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71172	0.5
59.01384	100.0
59.30486	0.5
60.01707	1.1
61.98848	0.8
64.40714	0.6
69.54367	2.4
71.01390	1.8
73.02990	0.8
83.01392	0.8
83.05019	0.9
83.68068	0.6
85.02955	1.1
89.02451	1.1
91.88181	0.6
96.96016	0.7
101.02439	1.4
107.05073	0.7
108.02203	1.8
113.02449	0.8
119.03564	0.6
119.05065	2.3
119.96899	0.6
121.02943	1.0
123.04517	0.6
124.01711	0.5
125.02463	1.0
135.04535	5.3
149.02477	0.7
151.00423	2.1
151.03952	0.6
152.01199	0.6
161.02400	0.6
163.32333	0.6
164.01218	1.5
167.03511	0.8
175.04108	0.7
177.01993	0.7
195.04619	1.1
195.29120	0.5
196.00209	1.3
199.03986	0.7
211.04065	0.6
225.09218	1.0
227.10733	0.6
237.09372	0.7
239.03508	4.7
240.04002	0.9
241.12373	0.6
251.16431	0.5
254.05894	3.7
255.70132	0.5
266.12387	0.6
267.03076	1.9
279.06580	0.5
282.05350	15.9
283.05768	1.2
286.04819	3.6
291.14417	0.6
295.06369	0.6
297.07700	17.7
298.08176	1.1
302.57205	0.6
455.06723	2.1
455.16571	8.4
455.26797	1.7
456.17871	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	455.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
61.98831	0.7
70.13824	0.8
70.14203	0.9
80.02682	1.1
82.79005	0.4
89.94623	0.4
98.20557	0.6
99.27837	0.4
99.92594	0.7
105.38425	0.4
107.05062	0.8
108.02185	38.0
109.02508	1.0
114.32583	0.4
115.92103	0.6
116.92879	2.3
121.02992	0.8
121.06580	1.0
122.03776	0.5
123.04536	23.6
124.04849	0.9
135.04538	1.1
137.02475	0.4
137.99617	0.4
149.06143	2.1
151.04030	0.6
152.01187	2.8
157.06619	0.5
161.02408	0.7
163.00334	0.5
163.07732	0.6
167.03510	100.0
168.03850	3.1
173.06123	0.5
175.04077	0.5
175.07547	0.8
189.09160	0.6
192.95891	0.5
194.76320	0.4
196.79768	0.4
201.05652	0.7
203.03522	0.5
215.07004	0.5
219.06677	0.9
225.09229	0.8
227.10767	0.5
232.75601	0.4
237.09241	0.4
285.11505	0.8
339.00980	0.4
393.20572	0.9
411.21951	0.4
415.64835	0.4
423.18088	0.8
437.06836	1.0
455.20825	9.9
455.27176	4.1
455.34113	0.7
456.21021	1.0
456.28192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.5
57.03465	3.6
58.00597	1.6
59.01389	40.3
61.98837	2.5
62.95780	0.7
68.45554	0.6
69.03458	1.6
71.01391	52.2
71.53908	0.8
72.97563	0.7
72.99339	3.5
73.02956	18.9
75.00874	2.7
83.01383	7.8
83.01752	0.7
85.02962	24.1
87.00893	5.7
89.02456	31.9
90.02814	0.6
95.01405	4.3
96.96011	9.5
97.02979	2.9
97.09782	0.6
99.00900	10.1
99.04570	0.9
101.02456	40.5
109.02971	9.4
111.00907	3.0
113.02467	21.4
115.04031	1.5
118.98094	1.0
119.03506	6.1
125.02468	2.8
127.07749	0.7
129.01985	1.4
131.03543	4.7
135.02995	1.7
135.04552	1.3
136.07658	1.1
137.02460	0.8
138.05667	1.1
140.07259	0.7
143.03522	2.5
149.04591	7.0
149.05801	1.0
152.03455	0.8
159.03020	3.1
159.10283	1.4
161.02405	1.1
161.04579	11.8
161.11830	4.2
163.06091	0.7
163.07539	0.8
179.05688	0.8
189.05554	1.3
191.05696	1.3
207.06662	0.8
233.06641	2.2
272.04553	0.9
293.08862	1.1
307.14059	2.4
323.17123	59.4
324.17389	5.7
342.64600	0.9
387.27893	0.7
454.58749	0.9
455.21490	100.0
456.21860	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	454.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75706	1.5
58.27138	1.4
59.01386	7.0
61.98838	100.0
65.77788	1.5
83.05033	1.8
87.34019	1.5
96.96003	2.6
97.02982	1.6
108.02208	1.5
120.62235	1.3
121.02943	1.7
123.04549	1.7
135.04530	4.3
138.11276	1.4
157.06628	1.6
167.03519	3.9
171.10336	4.0
177.02071	1.5
192.04308	2.4
209.11780	1.6
351.15985	2.6
369.17053	4.9
400.95209	1.4
410.61685	1.3
437.19720	2.8
455.20566	6.2
456.89908	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	455.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42373	0.3
59.01381	0.5
65.58715	0.3
70.42973	0.3
71.54807	0.3
73.61250	0.3
74.00451	0.3
88.50372	0.3
99.92596	11.6
100.92628	0.7
100.93346	0.5
108.02175	1.0
115.91324	0.6
115.92085	8.0
116.92872	100.0
117.92889	4.9
117.93659	0.5
119.05055	0.4
123.04541	0.5
135.04556	0.4
138.48190	0.3
161.02438	0.3
167.03481	1.6
175.03949	0.4
178.10942	0.3
192.15564	0.4
193.18741	0.4
201.10602	0.3
202.32892	0.3
203.07222	0.4
223.07552	0.7
225.09232	0.6
233.96002	0.3
239.10735	0.3
241.12376	0.5
248.94930	0.4
251.10881	2.1
260.02460	0.4
261.64566	0.3
262.96677	0.4
269.08246	0.6
275.97275	0.6
308.01822	0.4
312.01105	0.4
321.99384	0.5
323.03693	0.5
325.01672	0.6
326.02505	1.5
333.51343	0.3
338.02408	0.6
338.99939	0.7
340.00525	0.9
353.13858	2.4
355.02768	0.7
355.15454	0.4
366.02032	0.5
374.02640	0.4
375.07187	0.3
381.00717	1.5
382.01382	0.6
391.02893	0.4
392.03217	0.4
393.07877	1.0
396.06900	0.4
399.01712	1.6
407.05878	0.3
411.09073	1.3
419.05841	4.2
420.06317	0.7
425.06992	0.4
437.07013	11.4
438.07425	1.9
455.08023	4.2
455.20477	0.6
456.08142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75089	5.2
56.82146	5.7
61.98835	100.0
68.31340	5.1
69.40237	44.5
94.88217	6.6
97.42426	5.5
98.46301	5.1
113.09769	6.1
140.53645	4.8
165.36722	5.6
272.59219	6.7
343.39032	5.6
455.35696	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	454.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38966	0.6
57.03429	1.1
57.93263	0.6
59.01383	9.6
61.98835	9.9
68.52986	0.5
71.01392	2.5
71.54577	1.2
73.02948	1.3
75.00880	1.7
75.46375	0.5
83.01402	0.8
85.02954	1.2
89.02451	1.6
96.96029	1.0
99.00927	0.7
101.02457	1.5
109.02991	0.9
109.05341	2.2
110.06123	1.8
113.02428	1.0
116.92893	0.9
118.06647	3.9
121.05346	7.8
122.06156	4.4
123.06979	3.5
129.01965	1.0
134.03700	0.6
135.04559	1.2
138.05614	1.2
139.06458	1.2
146.06134	21.2
147.06844	1.2
148.04079	0.7
161.04736	1.1
161.97215	0.6
162.05583	0.7
163.86612	0.6
177.02110	0.7
177.04106	1.3
179.05902	0.6
184.33862	0.6
190.07449	1.0
195.05125	3.2
196.05359	1.4
198.09300	0.7
212.10799	2.1
213.10342	1.9
226.07446	2.1
226.12372	1.9
227.08269	18.0
228.08621	1.4
232.10350	0.8
239.08075	0.9
241.09854	23.5
242.10480	6.3
253.09845	2.1
254.10492	1.3
255.08757	0.9
255.11415	15.7
256.11829	1.5
267.11423	1.4
268.12177	4.1
269.12976	9.3
270.13779	3.6
271.10947	1.5
275.09229	1.3
276.09579	1.2
285.12564	1.1
286.13257	3.3
288.11185	2.5
300.11151	5.8
302.12723	3.8
313.11972	1.0
314.12766	2.1
318.12195	1.7
364.16855	0.8
380.19955	3.0
392.19861	10.0
410.20877	3.4
424.18738	1.3
436.18747	8.7
437.19009	1.5
454.19867	100.0
455.20190	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	454.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	34.3
69.54098	100.0
79.86532	14.5
91.94995	19.2
98.20792	19.0
103.63847	14.8
106.33295	17.5
132.28050	17.3
204.40187	14.8
276.45682	17.1
361.71237	21.1
453.33835	19.6
455.35336	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37035	1.0
55.01879	4.7
57.03454	5.6
58.00605	3.1
59.01384	71.2
61.98835	6.5
64.41222	1.0
67.01857	1.1
69.03468	2.3
70.02948	0.9
70.77365	3.1
71.01388	79.5
72.01757	0.9
72.99318	2.7
73.02953	28.2
73.50294	0.9
75.00889	4.8
81.03477	1.6
83.01395	12.5
85.02959	30.5
87.00890	7.4
88.78256	1.0
89.02454	57.1
95.01392	6.0
96.96013	6.7
97.02972	4.8
99.00893	19.4
99.04525	2.1
101.02454	61.2
111.00890	2.3
111.04513	1.4
113.02466	25.9
114.02813	1.2
115.04035	2.7
119.03510	9.4
120.01309	1.8
123.04539	1.4
125.02457	8.1
129.01971	2.1
131.03522	10.3
135.04552	1.0
136.07603	1.3
137.02461	1.6
138.05634	3.1
143.03514	3.7
149.04561	25.7
152.03551	1.3
153.02261	1.1
155.03500	1.6
159.03043	5.1
159.10287	8.4
161.04562	32.8
165.01971	1.3
179.03496	1.0
179.05670	2.3
191.05620	6.9
204.06673	1.3
225.07678	1.0
226.35339	1.0
233.06680	7.0
237.09834	2.2
251.07648	1.4
271.10922	1.2
279.10898	2.3
289.12100	1.1
293.08856	1.9
305.11877	1.7
309.11859	2.2
317.18542	1.0
321.15564	60.3
322.16003	4.4
453.19882	100.0
454.20209	10.2
459.26874	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97704	1.8
55.01876	2.2
57.03451	3.6
59.01384	100.0
62.67352	1.7
64.66570	1.7
66.62399	1.8
68.99818	5.5
69.03461	3.1
69.64137	3.1
69.64428	11.8
71.01382	33.8
72.99306	2.3
73.02953	10.0
75.00868	8.4
75.68347	1.9
83.01401	7.3
85.02957	25.3
85.06595	57.3
86.06944	2.1
87.00889	7.2
89.02438	12.8
91.04044	3.0
95.01431	4.5
99.00882	7.1
101.02456	24.3
111.00881	14.5
113.02470	19.4
113.06094	23.0
115.04002	14.6
119.03536	3.2
121.03019	2.0
129.01956	7.1
131.03513	2.5
139.00366	5.8
141.09265	2.3
149.04527	2.9
151.00380	1.9
157.01418	1.9
157.05051	7.6
159.02936	4.4
159.04527	2.8
159.10300	8.5
161.04636	8.4
165.01839	2.3
171.02994	5.1
177.03918	3.5
181.06122	2.1
187.07576	4.5
195.05106	26.0
195.06712	2.4
202.06404	1.8
205.07211	3.7
225.07825	2.0
231.10158	4.0
249.06062	2.4
261.13449	16.1
263.07742	37.8
275.09265	19.1
281.08789	7.4
321.15527	36.9
322.15988	2.4
323.09808	18.4
393.17657	49.4
394.18082	3.7
453.14639	15.9
453.20325	7.1
454.08237	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	453.1915
Annotation	(16E)-1-Hydroxy-8-(3-hydroxy-3-methylbut-1-enyl)-3,6,7-trimethoxy-2-(3-methylbut-2-enyl)xanthone
Peak:m/z	Relative Intensity
58.08085	0.9
59.01369	3.0
71.54809	1.2
79.59756	0.9
96.96048	1.6
107.01350	1.2
108.02196	1.0
119.05058	3.3
124.01738	1.5
125.02463	1.3
134.03790	5.2
135.04547	3.5
136.01686	1.9
136.07681	1.9
137.02473	1.0
137.55153	1.5
149.06079	3.5
159.08101	2.1
161.02428	1.9
163.00397	1.5
176.04778	1.2
201.05598	1.2
203.03488	1.3
203.07150	5.9
209.06082	1.2
217.12192	1.1
221.08197	3.1
225.05540	2.0
225.09447	1.0
229.08626	1.5
237.05563	2.8
253.05122	3.4
273.14978	3.1
277.14478	4.6
281.04587	13.3
282.05106	1.2
293.04611	4.5
296.06866	1.3
303.12268	3.3
303.16003	4.4
304.16165	1.1
322.08322	1.1
328.06006	5.9
335.09225	1.9
380.12692	1.6
395.15021	18.8
396.15155	2.0
421.16650	1.6
427.50287	1.1
438.16782	6.5
453.19241	100.0
454.19638	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	453.1924
Annotation	20,22-Dihydro-22,23-epoxywalsuranolide
Peak:m/z	Relative Intensity
57.03460	6.8
59.01369	3.5
65.00308	4.6
68.99837	2.6
70.94952	1.7
70.95287	1.8
81.03474	1.4
83.01345	2.1
85.21347	1.1
95.01370	2.3
98.19886	1.3
106.18279	1.1
107.05011	1.3
108.02235	1.3
109.02935	3.0
109.06625	1.3
121.02937	2.5
122.03751	5.9
123.00850	1.7
123.04508	1.1
123.08202	1.9
124.01684	17.4
125.02425	1.2
131.05069	1.3
133.06630	2.3
134.03749	1.4
135.04529	10.5
136.01646	1.7
137.02425	4.8
146.03726	2.0
146.17505	1.2
147.08142	2.5
148.05341	1.8
149.02477	6.4
149.06091	3.4
149.51642	1.4
150.03242	2.3
151.00328	3.5
152.01147	3.7
159.04568	3.1
161.06075	1.4
162.03198	2.6
163.00337	2.3
163.04015	5.1
164.01073	1.6
165.01889	5.0
171.08159	1.7
172.05368	1.5
173.06102	5.9
175.03931	2.6
175.07668	2.2
176.01044	2.3
177.01964	6.5
177.12825	2.3
178.99815	3.7
187.03999	1.4
188.04784	2.3
188.06798	2.0
188.08444	37.3
189.05693	1.6
189.08946	2.1
190.06326	1.6
191.03519	1.3
191.07188	11.2
192.04283	5.4
193.15990	4.1
201.05597	1.4
201.12831	4.1
203.07137	4.6
204.04514	1.1
205.05142	1.3
207.06613	3.7
213.09029	1.6
215.07098	1.3
217.05124	6.3
217.15958	2.2
218.05598	1.7
219.06628	46.8
219.13870	3.7
220.07072	1.7
229.04964	1.9
231.06610	3.0
239.02409	1.6
241.08650	1.4
247.06003	2.1
261.14963	35.0
262.15332	2.3
271.13174	1.2
271.17075	2.6
283.09674	1.5
285.07718	1.2
287.12985	7.1
301.07147	3.0
315.12341	2.4
329.14224	1.3
341.10190	3.9
367.19235	2.1
381.20850	1.8
393.19611	11.5
409.19958	8.3
409.27576	19.7
410.27911	1.9
425.19745	56.8
426.20233	6.7
435.17950	1.9
453.19141	100.0
453.26019	8.8
454.19476	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	453.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.5
58.47166	1.0
59.01384	47.7
61.98828	1.7
68.99830	1.1
69.03451	1.2
69.24035	2.0
69.24437	6.2
71.01388	11.6
72.99320	2.5
73.02953	3.8
75.00471	1.8
75.00879	23.4
81.87689	0.9
83.01394	81.3
83.05037	1.6
84.01730	1.7
85.02961	12.3
85.82332	1.0
87.00903	3.7
89.02467	4.3
94.12639	0.8
95.01359	1.4
95.05045	2.7
96.01024	0.9
97.02966	2.7
97.06599	1.3
99.00919	4.3
101.02460	4.9
105.03471	1.4
109.02962	1.2
111.00900	2.5
113.02464	5.7
122.03750	1.0
123.04581	1.1
125.06125	0.9
129.01941	12.2
131.05035	7.4
133.02963	4.4
134.03789	4.8
135.04509	3.7
141.01947	1.4
147.08174	20.0
148.05328	1.7
148.08514	1.0
151.07663	1.9
152.08417	3.4
153.09242	5.5
159.02972	5.6
161.04559	2.4
161.09714	1.5
163.03978	1.4
165.09245	1.6
172.05327	2.0
173.04642	1.9
173.06090	35.1
173.07593	2.1
174.06470	1.7
175.04070	0.9
175.07686	1.7
177.02011	2.4
177.04051	14.0
177.05547	1.8
178.02747	3.3
184.05309	1.1
185.09749	2.5
187.04095	1.6
187.07683	12.9
187.11304	2.2
195.05107	48.2
196.05478	1.9
202.06310	1.4
213.09177	7.3
215.07121	2.2
227.10762	9.6
231.06570	3.8
231.10269	100.0
231.13985	2.6
232.10580	6.7
237.09235	1.4
239.65147	0.9
245.11758	1.6
249.15028	5.3
255.10416	1.5
257.05606	1.8
257.08160	12.7
273.11270	3.2
275.09229	11.6
391.10352	2.1
435.13159	2.5
453.13922	12.4
454.13879	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	453.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78311	0.3
59.01386	100.0
60.01735	1.2
69.78978	0.4
70.18587	0.9
70.18974	0.8
107.05080	0.6
122.53278	0.3
130.54761	0.4
137.40791	0.3
138.68755	0.4
139.43266	0.4
153.27769	0.4
157.06596	8.6
159.04530	0.4
161.02460	7.3
163.00330	0.6
175.07755	0.9
176.04814	1.4
177.01884	0.4
201.05585	11.5
202.06010	0.9
219.06754	0.8
227.07072	1.0
237.09290	0.5
293.15527	0.4
311.16672	0.6
319.09796	0.8
333.23569	0.4
335.09457	0.7
355.15701	1.2
363.08710	5.8
364.09152	0.7
377.10394	0.7
378.11069	2.6
379.11407	0.4
393.13464	41.7
394.13791	4.8
453.11765	0.4
453.15878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.3
59.01387	12.0
61.98828	0.9
62.57191	0.4
62.87957	0.4
68.57654	0.4
69.03455	0.7
71.01385	5.7
71.54687	0.7
72.99310	2.1
73.02940	0.8
75.00879	35.4
76.01191	0.5
83.01389	0.9
85.02968	5.8
87.00879	4.5
89.02459	4.9
97.02977	0.6
99.00885	4.9
99.04572	0.3
101.02463	1.4
103.89874	0.4
111.00896	2.5
113.02444	0.7
129.01955	15.8
130.02254	0.4
131.03558	0.4
134.03746	0.4
135.03012	0.7
139.07652	0.4
141.01970	2.0
149.04584	1.1
149.06148	0.5
152.68250	0.3
159.03015	8.9
159.04335	0.7
172.05292	1.7
173.06064	1.7
174.06941	0.5
177.04059	5.8
187.04024	1.5
187.07663	16.1
188.08112	1.2
195.05110	100.0
196.05486	3.0
199.04022	0.6
200.04805	1.0
201.05580	1.6
202.06386	3.4
203.10762	0.5
204.04251	0.7
213.09264	2.2
215.07155	2.9
227.03491	1.0
228.04211	0.7
229.08696	1.4
231.06723	4.4
231.10268	7.5
232.10703	0.5
255.11510	0.5
257.08243	4.7
263.34311	0.4
275.06549	0.7
275.09293	8.7
276.09683	0.4
280.93304	0.4
391.10660	0.7
435.12885	0.7
453.14050	9.0
453.20056	0.6
454.14249	1.2
454.20163	1.0
474.56723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.35843	0.6
57.75178	0.7
59.01385	100.0
59.22256	0.7
60.01706	1.3
61.98841	2.4
65.00662	0.7
71.01384	14.1
71.64223	0.7
73.02956	6.4
79.83839	0.7
83.01400	3.0
85.02959	6.6
87.00886	1.1
89.02480	2.4
95.01395	1.6
97.03014	0.8
99.00901	2.5
101.02448	15.5
113.02457	6.8
113.69188	0.7
143.03519	1.1
154.11130	0.8
159.03046	2.1
161.04562	11.9
170.22124	0.9
176.95584	0.6
187.09814	1.5
224.13132	0.7
229.18146	2.4
247.64977	0.7
257.27432	0.7
299.58316	0.8
391.23395	39.3
392.23862	4.7
443.59244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07132	0.6
56.06696	0.5
57.03447	0.9
59.01386	14.3
59.37382	0.5
60.01723	1.1
61.01809	0.8
61.98838	100.0
62.53215	0.6
71.01406	4.0
71.01768	0.7
72.29803	0.6
75.00890	4.8
85.02982	2.4
86.48238	0.7
87.00884	0.8
89.02450	3.4
96.96029	1.4
99.00888	1.2
101.02479	2.2
113.02478	1.3
119.03577	0.8
125.02535	0.7
129.01982	2.3
135.04524	0.6
141.02057	0.6
155.10822	0.9
159.02991	1.8
169.27275	0.7
173.11720	0.6
177.04124	1.6
187.07666	2.1
187.09666	0.7
195.05121	16.8
195.06796	1.1
229.08841	0.8
231.10365	1.8
246.80183	0.6
257.08212	0.9
275.09357	2.5
320.21643	0.7
335.17044	5.8
340.31387	0.6
392.23016	2.7
452.12286	1.4
453.14023	1.9
453.19977	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	452.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.4
59.01387	9.0
60.01715	1.1
61.01804	0.7
61.98836	100.0
62.29895	0.3
69.58210	2.4
71.01389	2.5
72.01730	0.6
73.02953	0.8
81.03474	1.9
82.03807	0.6
83.05037	6.1
84.05373	1.3
85.02982	0.5
89.02459	1.3
99.00935	0.4
100.87873	0.3
101.02472	1.6
102.02859	0.3
110.13560	0.3
110.17070	0.4
113.02479	1.2
124.07660	0.4
125.07201	0.8
128.39844	0.3
161.04607	0.7
165.05603	0.7
207.15062	0.6
208.15239	0.4
225.16058	2.3
225.18037	0.7
226.16507	1.6
229.65353	0.5
279.05624	0.4
313.81757	0.4
320.21561	0.6
321.19141	0.6
333.22849	0.5
334.23090	0.6
391.78571	0.4
392.23236	2.2
434.32141	1.4
451.33005	2.8
452.33249	26.0
453.23419	0.4
453.33481	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	452.2786
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.44726	0.3
54.07071	0.3
67.28515	0.3
68.03893	0.4
78.95914	21.0
98.19885	1.0
115.84194	0.3
122.00184	0.5
140.01212	5.6
152.99591	1.8
161.93172	0.3
171.00648	1.2
188.84010	0.3
196.03821	9.6
214.04866	2.0
255.23318	100.0
256.23669	7.5
284.54340	0.3
327.26553	0.3
370.13504	0.4
452.27853	25.8
453.27792	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	451.255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49014	0.3
57.03456	0.6
59.01385	100.0
60.01718	1.6
61.01825	0.4
61.98841	1.2
67.04265	0.3
69.20530	3.2
71.01387	5.8
71.05029	0.5
73.02948	1.6
75.00878	0.4
81.03449	0.4
83.01392	1.0
83.05039	0.4
85.02964	1.9
85.06601	0.3
87.00886	0.5
87.04543	0.6
88.05795	0.4
88.98808	0.6
89.02457	2.1
91.01920	0.6
95.01413	0.6
99.00920	0.7
101.02455	5.0
107.05078	0.5
109.02984	1.6
109.06593	0.4
113.02462	3.2
119.03526	0.9
121.02988	0.7
123.04626	0.3
125.02474	0.5
125.47784	0.3
135.00916	1.8
135.04520	3.1
137.02455	5.4
141.09204	0.4
143.03545	0.5
149.02504	1.1
149.04590	0.5
151.04066	1.0
152.01144	0.6
153.02014	0.9
159.03006	0.5
161.04565	3.2
174.19606	0.3
177.01952	1.7
178.50851	0.3
195.03018	1.6
219.03030	0.3
259.06183	1.3
271.06152	3.8
289.07300	1.1
289.11029	1.3
299.07785	0.4
301.20392	1.2
317.19919	0.4
319.21265	13.8
320.21799	1.1
329.05832	0.4
330.05832	0.4
331.06259	0.5
333.15759	1.1
349.18756	0.7
361.07303	0.7
381.32300	0.3
391.15530	0.4
391.23453	5.5
392.23877	0.6
451.11777	1.2
451.25668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
59.01385	100.0
60.01730	1.6
61.98834	10.1
67.64894	0.4
71.01386	8.0
71.54656	0.6
72.62177	0.4
73.02957	2.0
75.00909	0.7
80.27839	0.4
83.01395	1.0
85.02945	2.8
89.02458	5.7
95.01434	0.6
99.00899	1.0
101.02454	6.4
103.04037	1.0
113.02458	3.2
115.02970	0.5
119.03521	2.1
131.03575	0.5
135.04613	0.9
137.02498	1.0
143.03554	0.6
149.04591	1.8
159.03044	0.9
161.04558	4.5
167.03532	1.2
179.05640	0.6
195.05214	0.8
229.08723	0.6
271.05902	0.4
289.07413	1.0
319.21112	3.2
360.25488	0.4
391.23444	19.2
392.23764	2.1
407.18997	0.5
435.22531	1.3
451.13010	1.4
451.25250	0.8
451.30356	0.7
477.08005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.8
57.03452	1.1
59.01386	100.0
60.01724	1.6
61.98841	4.8
69.03472	0.7
69.25135	3.0
69.25562	1.8
69.77011	0.5
71.01389	13.7
72.99324	0.7
73.02954	5.6
75.00894	1.9
81.03540	0.5
83.01396	2.5
83.05025	0.8
85.02953	5.1
87.00880	1.0
89.02442	5.5
95.01398	1.0
97.02946	0.9
99.00919	2.1
101.02451	12.9
101.85418	0.6
113.02452	6.7
119.03538	2.4
124.01714	0.8
125.02493	1.1
125.09767	2.0
138.05630	0.6
143.03543	0.9
149.04524	1.3
155.10832	1.2
159.03009	1.3
161.04567	10.7
168.00742	1.0
179.05658	0.6
185.00890	0.5
187.09767	4.3
189.01927	0.6
201.11455	0.5
215.83286	0.5
229.18185	0.7
319.14264	1.0
319.17743	1.1
319.21112	3.8
338.64636	0.6
341.06683	0.7
349.18994	0.6
391.23401	35.4
392.23755	3.4
451.09305	0.6
451.33829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67345	1.9
59.01389	10.2
61.98820	2.4
69.67056	6.9
69.67467	5.1
90.34245	1.8
94.95917	2.0
95.05025	5.2
96.96031	3.8
98.20558	4.0
119.56355	2.1
121.10278	7.1
135.04565	2.8
149.09694	3.2
155.09212	2.2
162.83804	2.5
174.99280	3.3
225.09286	2.5
241.12344	3.4
253.05093	3.7
261.14792	3.5
265.03958	5.0
269.07129	11.5
279.05508	2.5
283.09576	3.2
354.09894	4.2
391.18042	100.0
392.18469	11.3
416.07724	2.5
433.20517	3.4
451.11591	2.3
451.21429	9.8
452.21918	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2011
Annotation	Dihydrogeranylgeranyl diphosphate
Peak:m/z	Relative Intensity
51.83761	0.9
59.01384	33.1
61.98835	1.5
69.03442	1.0
71.01359	1.0
71.05021	2.1
71.55089	1.2
71.55461	1.1
78.13975	0.9
78.95907	3.1
83.05050	1.4
90.97147	2.0
96.96017	1.6
109.02946	2.9
116.92887	1.1
119.05043	1.9
124.01604	1.1
133.31784	0.9
135.04480	1.2
151.03915	1.9
163.04019	2.7
174.99226	3.4
175.04041	1.1
211.07643	1.2
225.09273	2.6
235.17097	2.4
261.14911	4.0
275.20297	2.3
293.21240	3.4
373.17896	1.4
391.18179	7.2
451.20212	100.0
452.20667	11.4
452.26859	1.7
467.00995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37683	1.6
55.01859	3.1
57.03449	7.1
58.00591	1.6
59.01384	100.0
60.01717	3.7
61.01777	2.3
61.88319	1.3
61.98837	17.1
67.01855	1.8
68.99800	1.9
69.03437	2.0
69.37870	10.3
71.01023	2.5
71.01388	43.9
71.05015	1.5
72.99311	4.0
73.02953	14.0
75.00876	14.2
79.05519	4.1
81.03449	4.1
83.01357	6.3
85.02959	24.1
87.00859	6.1
87.04491	5.2
89.01958	2.0
89.02454	27.5
90.02740	1.4
93.03445	1.5
95.01384	3.9
95.05017	1.4
97.02936	2.3
99.00880	11.0
99.04467	3.8
101.02454	32.3
107.05084	1.4
109.02955	25.6
111.00865	2.1
111.08129	1.5
113.02456	30.7
115.00327	2.5
117.01897	1.5
119.03510	11.2
121.02978	9.5
123.04523	10.9
123.08176	2.0
125.02445	2.5
127.07671	2.2
129.05505	1.4
131.03455	2.6
131.07182	2.5
133.01364	2.3
133.69975	1.5
135.04514	3.3
137.02463	14.8
139.07620	2.7
143.03439	2.4
146.08130	1.7
149.02367	6.7
149.04494	6.4
151.00334	2.7
151.03970	4.3
157.08670	6.4
161.02437	9.1
161.04543	8.4
165.01875	6.8
167.03500	89.4
168.03784	5.0
174.59106	1.5
179.03450	5.6
179.05641	1.9
183.10112	1.7
187.09764	1.5
201.11230	8.6
207.04938	1.7
209.04518	7.2
231.04974	2.6
249.06158	21.0
250.06485	1.9
253.04967	2.4
267.07034	4.4
271.06009	7.7
271.15207	2.1
289.07199	57.2
290.07516	3.4
309.08319	7.9
319.13989	49.8
320.14313	3.9
329.08490	2.4
331.08163	6.2
388.16934	3.6
433.17117	1.9
434.17102	1.9
451.17899	75.5
452.18192	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	451.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03450	3.9
58.00571	0.7
59.01386	34.9
60.01731	1.0
61.98827	4.4
67.01865	1.0
68.99804	1.8
69.03435	0.9
69.36900	2.9
69.37321	3.0
71.01018	1.1
71.01392	22.3
71.04995	1.0
72.99313	4.8
73.02958	3.6
75.00883	15.6
83.01408	1.0
83.05035	0.8
85.02959	19.1
87.00876	7.6
87.04522	31.0
89.02455	8.7
93.03374	0.7
95.01405	5.2
95.82819	0.8
97.06636	0.8
98.20662	1.5
99.00887	8.5
101.02448	3.8
103.00386	2.1
109.02982	0.8
113.02464	26.7
114.02758	1.0
115.00372	1.9
115.04039	1.1
117.01936	1.9
119.03439	1.6
121.02940	1.0
129.01935	2.1
131.03505	1.1
139.07713	0.9
139.11259	3.1
142.91386	0.7
145.05194	0.7
149.04611	0.9
157.01489	0.9
157.12488	0.8
161.04659	0.9
175.02460	3.0
201.11313	5.7
205.72318	0.8
207.05122	1.3
231.05118	1.6
249.06186	22.6
250.06592	1.2
267.07230	34.0
268.07507	1.9
314.95285	0.7
319.13968	3.4
326.43768	0.7
433.16876	1.7
451.18164	100.0
452.18573	9.0
471.91760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
57.03438	5.7
58.00568	1.6
58.02968	2.0
59.01387	59.1
61.98814	5.9
68.99808	1.5
69.03429	2.2
71.01022	1.6
71.01390	29.1
71.05016	1.7
72.99287	5.2
73.02946	6.4
75.00881	18.6
77.16315	1.2
83.01363	2.5
85.02470	1.5
85.02962	23.9
87.00872	7.7
87.04529	16.7
89.02454	15.8
94.81518	1.1
95.01363	5.4
96.96019	3.0
97.02915	1.2
98.20770	2.8
99.00898	9.0
99.04575	1.2
101.02446	9.4
103.00368	2.9
109.02911	1.7
111.00903	1.3
113.02464	29.3
114.02822	1.5
115.92079	1.5
116.04323	1.3
116.05172	1.4
116.92833	5.2
117.01947	3.0
119.03488	3.6
121.02930	1.9
127.07611	1.7
129.01935	1.9
129.05569	1.7
131.03419	1.4
133.01347	1.7
137.02397	4.5
139.03992	1.4
139.11272	1.4
141.85878	1.2
145.01370	1.2
149.24594	1.1
150.03177	1.3
161.04568	2.3
165.05551	2.4
171.06554	2.4
175.02361	2.6
179.05496	1.5
201.11513	7.9
213.50786	1.2
229.01312	1.8
231.04950	1.9
249.06168	35.7
250.06506	1.5
266.75735	1.2
267.07230	24.0
271.06165	1.5
271.09781	1.7
271.15579	1.6
273.07556	2.3
289.07178	3.6
309.08408	8.8
319.13806	4.9
333.15381	2.3
407.14471	5.8
433.16983	3.9
451.17978	100.0
452.18301	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	451.1769
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
57.20063	0.7
59.01385	2.3
61.98836	1.2
77.51627	0.6
81.50723	0.7
84.64285	0.6
87.04395	0.6
96.96040	1.5
103.17605	0.7
105.03499	0.7
106.99641	0.7
117.90456	0.7
118.28621	0.6
125.02488	0.8
133.03018	1.4
148.01692	4.7
149.02437	2.3
150.03220	1.3
161.02507	2.0
163.00412	1.3
172.05299	1.3
175.03992	0.7
175.07632	1.0
185.06194	0.9
189.01978	1.9
190.02682	1.3
197.06116	1.4
199.04066	0.9
209.06136	1.8
211.04073	1.5
211.22778	0.8
212.04636	0.7
224.04756	0.9
225.05577	4.8
226.06282	2.3
227.03450	2.1
237.05612	1.3
241.05054	6.2
242.05699	1.4
253.05095	4.1
254.05656	1.1
255.02980	1.9
261.14966	1.3
269.04550	10.6
270.05185	1.6
280.03857	1.2
281.04596	1.9
283.02509	2.1
296.03296	0.7
297.04065	33.9
298.04834	90.0
299.05145	6.0
309.04056	1.0
311.05505	0.9
312.06396	1.0
313.07199	15.3
314.07578	1.6
344.05280	4.3
349.07202	1.6
363.09045	0.8
367.08398	1.1
391.18314	1.6
393.13440	3.1
394.13318	0.7
418.14349	2.4
423.17532	0.7
433.16177	1.8
436.15042	3.4
451.17609	100.0
452.17929	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	451.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01123	0.7
59.01384	9.2
61.98804	1.4
69.45028	0.5
71.54566	0.7
96.96007	4.1
108.02182	0.7
117.01919	0.5
121.02913	0.8
123.04486	1.0
124.20000	0.5
133.02997	1.0
135.04575	0.8
148.01645	1.3
149.02402	1.0
151.39146	0.6
161.02318	0.7
175.00407	0.8
188.01181	6.2
199.03963	1.0
200.01175	0.9
201.01877	2.0
225.05563	1.2
225.09164	2.0
227.03511	1.9
237.05457	0.6
241.05064	1.9
242.05769	0.7
244.90805	0.6
253.05025	1.8
265.05161	0.6
269.04483	0.9
273.21021	0.6
281.04791	1.3
282.05310	0.8
284.03146	0.7
295.09637	0.8
297.04016	6.9
298.04800	5.8
308.03168	0.9
309.04071	32.8
310.04504	3.5
311.05533	1.5
321.03952	0.6
323.05716	0.7
323.09204	1.5
324.06235	0.7
333.07599	1.3
335.05814	0.8
336.06485	1.0
337.07162	1.8
338.07904	1.7
344.05286	1.7
351.08725	19.6
352.09344	3.2
361.07214	2.1
365.10254	5.9
365.21179	1.4
366.10782	0.7
391.11832	3.5
392.12595	0.8
393.16928	0.9
407.18118	0.7
407.22711	1.3
419.15015	4.0
420.15634	0.6
436.15280	30.3
437.15469	3.7
451.17566	100.0
452.17834	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
68.64732	0.6
69.75632	1.0
69.76033	2.6
81.00700	0.6
96.95995	1.7
121.02949	1.4
123.54848	0.6
127.62686	0.5
133.02983	1.7
148.01624	0.7
149.02449	1.0
160.01643	0.6
161.02376	1.1
163.00398	1.0
173.06036	0.9
175.00374	1.3
188.01144	1.9
189.01897	1.3
194.27312	0.6
197.06152	0.8
201.01903	1.1
209.05821	0.6
225.05525	1.6
227.03519	1.2
229.05127	0.9
241.05112	2.3
241.20299	0.6
253.05064	2.5
265.05151	0.7
269.04630	4.2
281.04721	1.1
284.03311	0.9
295.06271	0.6
296.03381	1.1
297.04047	26.9
298.04605	2.5
308.03296	1.4
309.04068	25.4
310.04633	2.8
311.05746	2.2
323.05557	1.8
323.09061	0.8
330.03784	0.9
336.06491	0.9
337.07318	4.2
338.07669	1.7
344.05383	2.0
349.14487	1.6
351.08746	11.9
352.09314	1.8
365.10336	5.0
366.10464	0.9
367.15518	2.8
377.10141	1.0
419.14874	3.7
436.15292	24.1
437.15634	3.0
451.17630	100.0
452.17975	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	451.1399
Annotation	(9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Peak:m/z	Relative Intensity
59.01385	100.0
60.01720	1.6
61.98842	1.0
64.67942	0.7
71.01386	5.5
71.54888	0.9
72.99320	1.0
73.02954	3.1
83.01395	1.3
85.02967	2.4
89.02439	1.6
97.69654	0.8
99.00897	1.5
101.02451	6.3
113.02469	1.7
117.03510	0.8
125.02474	1.1
133.03006	5.1
149.02390	0.8
161.02454	64.2
161.04613	1.6
162.02812	2.9
163.00360	1.6
171.04494	1.5
173.06091	5.2
175.04004	1.2
176.04813	7.1
187.00412	1.4
188.04782	1.2
193.05080	0.7
201.05495	0.8
211.04080	0.9
287.87686	0.7
289.08917	0.9
317.08194	2.5
319.21201	5.4
361.07098	7.6
362.07687	1.1
375.08615	0.9
376.09558	5.2
377.10132	1.5
391.11917	20.4
392.12299	2.6
409.13129	3.0
421.09546	5.6
436.11700	7.6
437.40482	0.9
448.54242	0.8
451.14001	61.7
451.25391	4.1
452.14423	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	451.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75624	0.6
56.46245	0.6
58.10222	0.7
59.01378	2.0
71.55122	1.0
75.57277	0.5
106.04233	0.6
107.05030	5.4
119.05048	1.5
133.88023	0.5
135.04538	9.8
138.55574	0.6
149.02489	1.0
157.06639	1.3
177.12851	0.8
185.09680	0.8
189.09256	1.5
215.07086	1.6
225.09216	7.7
226.09998	5.3
227.10754	2.0
237.09206	1.3
248.12077	0.7
251.07187	1.1
261.12827	3.7
263.07098	0.9
267.22467	0.7
269.08240	1.0
277.12515	0.7
279.14081	0.9
305.19141	5.9
306.19321	0.7
331.20764	2.2
332.20819	0.9
349.21750	25.8
350.22134	3.0
375.19662	33.1
376.20053	3.8
391.77200	0.7
393.20737	100.0
394.21094	12.4
425.17581	0.8
451.16290	5.5
451.21591	1.0
456.46649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57383	0.4
59.01391	2.2
61.98804	0.5
69.92976	1.1
69.93377	0.7
72.07261	0.4
96.95998	1.3
98.19862	0.5
109.02937	0.6
121.02876	0.5
124.84779	0.4
133.02950	2.7
135.04494	1.4
137.02470	0.5
148.01669	0.6
149.02446	1.2
150.03214	0.5
159.04553	0.7
161.02487	1.1
163.00392	1.9
173.06105	0.4
180.05812	0.4
183.04582	1.0
187.04005	0.6
189.01958	0.9
197.06081	1.8
199.03978	0.8
200.04601	0.6
201.02028	1.1
201.05446	0.6
209.06158	0.4
211.04001	0.8
213.05585	0.7
223.04198	0.5
224.04773	0.6
225.05582	3.1
226.02803	0.7
227.03539	2.3
228.04155	0.4
229.04892	0.6
232.39316	0.4
240.04312	0.5
241.05110	3.2
251.03548	1.2
253.05028	2.7
254.02341	0.5
255.02945	1.3
265.04907	0.5
267.03058	0.9
269.04581	9.1
270.05066	0.6
279.03058	0.7
280.03690	1.1
284.03320	1.4
295.02563	0.6
296.03293	1.0
297.04071	61.3
298.04501	5.2
309.04092	7.1
309.07584	0.3
310.04703	0.7
312.06436	0.9
319.06241	0.5
322.05246	0.5
335.86368	0.4
337.07227	17.5
338.07620	1.2
344.05420	5.4
349.14578	0.5
352.09543	0.8
363.08984	0.8
367.15375	2.1
377.10251	2.9
378.10754	0.4
398.57767	0.4
419.15430	0.6
436.15256	10.1
437.15680	1.1
451.17661	100.0
452.17975	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	451.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
59.01384	12.8
61.98825	2.9
65.00307	0.5
71.01389	7.0
71.54665	0.7
72.99306	0.9
73.02952	2.1
75.00883	1.0
78.95909	2.3
79.95770	2.7
83.01380	1.7
83.05076	0.7
85.02953	2.1
87.00906	1.5
89.02463	4.3
93.03477	0.6
95.01427	0.6
96.96020	100.0
96.97009	3.0
97.02946	0.5
99.00906	0.5
101.02470	4.6
109.02964	0.9
111.00900	0.9
111.04543	1.1
113.02448	3.9
113.06107	1.9
117.93555	0.5
119.03515	1.6
123.04453	0.7
125.02499	1.3
129.05594	0.6
131.03532	1.3
133.05049	1.1
135.04553	0.6
137.02496	1.3
138.05635	1.2
140.07208	1.1
143.03485	0.7
149.02422	0.7
149.04596	0.6
153.05670	0.5
155.03549	0.9
157.05067	1.5
161.04608	0.9
166.05106	4.4
167.05458	2.8
169.01563	0.6
173.04547	2.3
179.05594	2.8
184.06288	0.6
193.01492	1.2
216.81566	0.5
226.06381	2.0
241.08667	3.4
249.06171	1.2
267.07281	0.9
278.03381	1.1
289.07248	1.0
295.10214	0.9
319.14014	0.8
391.16513	0.6
433.13373	0.8
451.15353	4.0
457.00397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.9
59.01386	65.2
60.01724	4.6
61.01809	1.6
61.98837	100.0
71.01391	9.9
72.01745	1.1
72.99305	1.1
73.02946	3.6
74.03289	1.0
75.00872	1.5
80.40050	0.8
83.01408	1.3
85.02962	2.4
87.00887	0.9
89.02444	8.5
95.01359	1.0
98.13945	0.8
98.19908	1.4
99.00889	1.6
101.02454	6.9
109.02956	1.3
113.02461	3.1
119.03503	2.4
125.02462	1.6
127.18745	0.9
149.02434	1.0
149.04578	1.2
161.04561	2.0
163.11290	1.8
207.10245	3.0
384.63174	0.9
387.16623	38.2
388.17218	3.8
451.17966	2.8
451.22882	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	450.179
Annotation	Doxazosin
Peak:m/z	Relative Intensity
59.01392	5.8
67.93651	0.6
68.99825	0.9
71.01391	2.8
72.99314	3.0
75.00880	13.6
75.31059	0.6
83.01398	1.4
84.99323	1.3
85.01026	1.1
85.02950	0.9
87.00874	1.1
89.02457	2.2
91.90226	0.8
99.00900	2.1
99.58813	0.6
101.02464	1.5
103.00396	8.2
111.00890	1.4
112.98819	15.9
113.02475	1.3
115.00384	1.8
116.48096	0.6
117.01958	0.7
124.98827	0.8
126.09221	0.9
127.00388	0.6
129.01974	0.7
133.01453	0.5
135.43066	0.7
145.01422	3.8
154.99886	0.7
161.87024	0.7
166.05092	1.4
167.70366	0.6
171.01160	1.0
204.12457	1.7
230.03606	1.1
230.12065	30.0
231.03203	2.5
231.12352	1.2
263.05786	2.2
272.13202	1.0
287.93649	0.7
302.10544	4.5
302.13882	1.1
314.14493	0.8
315.11237	0.6
319.10855	1.3
330.13541	1.1
339.20377	0.6
358.13181	5.4
418.15231	1.2
450.09073	5.4
450.17990	100.0
451.08847	15.5
451.18439	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	450.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57623	0.6
59.01385	13.9
60.01707	0.7
61.08722	0.6
61.98837	100.0
70.90074	0.6
71.01383	3.5
71.55063	0.8
73.02954	0.8
79.06454	0.7
80.96568	0.6
83.01391	0.8
85.02974	1.9
87.00869	0.8
89.02464	1.4
93.03510	0.8
101.02470	2.7
113.02438	1.3
121.02969	7.1
122.03236	3.3
122.06128	4.9
131.03824	0.7
132.04596	1.3
133.02998	1.3
134.03798	0.9
139.02773	0.8
152.07191	11.6
161.04561	0.8
169.12343	1.0
170.12691	1.1
190.05132	6.1
222.07733	6.7
228.07851	2.8
229.08354	3.0
243.10416	2.9
244.10591	5.9
270.08514	0.8
275.09244	1.0
276.09595	1.1
288.09634	1.4
356.08682	1.2
387.15707	19.8
388.16043	2.4
450.14984	15.9
450.20456	1.1
450.28513	0.8
451.15628	2.9
451.29309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80799	0.4
59.01385	22.0
60.01707	1.0
60.79307	0.4
61.98835	1.2
63.58776	0.4
68.79971	0.4
69.03453	0.4
70.64645	0.8
70.65044	0.8
71.01389	10.7
72.99323	0.6
73.02955	1.7
74.04442	0.4
75.00862	0.7
79.05004	0.4
83.01389	0.9
84.04601	0.5
84.31064	0.4
85.02944	2.9
87.00919	0.8
89.02451	7.3
92.69267	0.4
95.01409	0.7
96.95980	2.2
97.02919	0.6
99.00891	0.9
101.02446	4.8
110.02486	2.5
111.04471	0.7
112.04050	6.3
113.02457	3.9
113.06085	0.8
119.03500	2.0
121.05061	2.0
122.06134	1.0
123.04596	0.4
124.04044	5.7
125.02448	1.0
129.05573	0.5
131.03535	0.8
138.05653	0.7
140.07176	1.3
143.03500	1.0
149.04596	1.0
153.05504	0.6
157.05092	0.5
161.04585	1.7
166.05106	100.0
167.05478	4.7
173.04572	1.3
179.05586	1.3
184.06166	7.4
226.06444	0.4
227.09261	0.8
228.09692	0.9
249.06282	0.6
267.07242	1.1
268.07623	0.5
275.53195	0.4
283.10306	4.5
289.07233	0.6
450.16348	7.1
451.15671	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	449.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
58.00581	0.3
58.78943	0.3
59.01386	100.0
60.01720	1.2
61.01831	0.3
61.98840	0.9
69.03477	0.4
70.90916	0.7
71.01389	3.8
72.99319	0.6
73.02953	0.7
75.00893	0.5
83.01397	0.7
83.05034	0.4
85.02955	1.7
87.00899	0.7
88.43804	0.3
89.02464	3.0
93.03477	0.6
95.01402	0.4
99.00909	0.4
101.02452	2.8
105.05245	0.2
107.01377	0.3
109.03012	0.6
113.02437	2.0
119.03526	1.5
121.02982	0.4
133.03027	1.2
134.03729	0.9
135.04543	0.6
137.02461	0.8
145.02991	0.3
149.04517	0.3
151.00365	0.4
151.04095	0.5
161.04553	1.6
165.19766	0.3
165.42796	0.3
173.04602	0.8
177.02029	0.4
178.02592	0.3
179.05666	0.6
191.05635	0.6
204.59592	0.3
209.25381	0.3
225.09332	0.5
231.10365	1.0
232.29936	0.2
245.04579	0.3
249.06258	0.5
257.08179	2.1
269.08282	0.9
275.09171	2.0
283.06345	0.3
285.04034	0.8
286.04385	1.0
287.04935	1.1
287.09299	0.4
301.20425	0.4
317.19800	1.5
389.21860	5.5
389.26486	0.4
390.22415	0.7
407.23099	0.4
433.20999	0.6
449.09839	1.4
449.25040	1.4
449.31729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01733	0.8
61.53753	0.4
69.55467	1.0
69.55861	1.5
71.01393	1.5
73.02952	0.6
85.02929	0.5
89.02492	1.0
90.73866	0.4
91.63201	0.3
99.45551	0.5
101.02477	1.7
107.01436	0.5
113.02488	0.9
135.04539	1.9
142.92673	0.4
151.00391	3.5
161.04640	1.0
287.05649	2.8
317.19778	1.0
343.03876	0.4
389.21765	4.5
390.22412	1.0
418.60382	0.5
449.24518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41177	0.4
51.89891	0.4
53.51889	0.4
57.03459	1.1
59.01384	100.0
60.01725	2.4
61.01811	1.3
61.98837	16.3
69.43977	0.4
71.01386	9.3
72.99323	0.8
73.02952	4.0
75.00889	0.6
83.01409	1.5
85.02947	3.4
87.00889	0.9
89.02451	5.8
95.01447	0.4
98.19912	1.4
99.00891	0.9
101.02449	7.4
101.70879	0.4
109.02981	0.6
109.06660	0.5
110.80764	0.4
113.02457	4.4
114.02839	0.6
119.03490	2.8
125.02483	0.7
127.07745	0.5
131.03546	0.8
135.04756	0.5
135.05887	0.4
135.66481	0.4
139.26535	0.4
143.03528	0.7
151.04112	0.5
159.03030	0.6
161.04582	3.6
167.10794	0.7
179.05652	1.5
180.38742	0.4
185.11891	0.9
202.79454	0.5
243.06699	0.6
259.06073	0.5
269.04724	0.6
287.05658	1.4
299.34845	0.4
387.16711	4.6
389.21878	3.6
449.16507	1.5
449.25061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.3
57.80724	0.8
58.00581	2.2
59.01385	93.0
69.31837	7.2
71.01015	1.3
71.01390	22.3
71.77589	0.8
72.99308	1.2
73.02956	1.4
84.53204	0.7
85.02964	5.9
89.02450	20.4
95.01393	1.9
97.06593	0.8
99.04533	6.2
101.02446	9.8
112.37599	0.9
113.02462	9.0
119.03513	6.0
123.30430	0.7
143.03488	1.6
151.54225	0.7
156.22237	0.7
161.04536	2.7
165.12851	6.1
179.05618	2.6
196.08490	0.9
207.13904	11.1
209.09898	1.6
209.11839	26.0
210.12140	1.4
225.14984	11.2
251.12946	4.7
269.13953	100.0
270.14288	5.9
287.15002	1.8
294.24860	0.7
301.10345	0.7
389.21948	7.2
429.74109	0.8
431.19104	1.0
449.20285	82.4
450.20471	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	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64387	0.7
51.43167	0.7
55.01867	0.8
58.00610	0.7
58.06910	0.8
59.01385	100.0
60.01726	1.0
63.39835	0.7
66.52805	0.8
67.75089	0.7
69.55302	4.0
71.01384	14.8
73.02950	5.0
83.01416	2.5
85.02950	6.3
85.03320	0.6
87.00888	1.1
89.02457	7.8
95.01417	1.2
96.05772	0.8
98.20625	1.5
99.00937	1.6
101.02456	14.2
109.03008	0.9
113.02468	7.0
119.03525	3.3
125.02478	1.5
133.02979	1.7
134.03374	0.8
135.04555	1.2
143.03523	1.4
159.03064	0.7
161.04562	9.7
179.05682	1.8
269.13959	1.7
271.74692	0.7
285.03955	0.8
287.04770	1.8
287.09299	1.2
298.04611	1.7
299.05032	2.7
300.05780	2.0
301.06186	2.8
327.05115	2.5
328.05634	2.3
329.05688	8.9
341.05551	1.3
357.06259	1.5
359.06705	6.2
389.21860	26.3
390.22226	2.0
407.23267	0.9
431.08954	1.3
449.10120	7.4
457.59610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.4
70.31081	0.8
70.43302	1.5
70.43697	1.7
75.00826	0.7
173.05917	0.8
176.52322	0.8
177.12875	2.1
179.08711	1.9
223.07657	30.8
224.08308	6.0
225.09160	3.9
227.07094	0.9
235.07675	1.3
237.09206	1.1
241.05182	1.5
245.09550	1.0
247.11206	1.0
251.07152	2.0
261.09186	1.2
262.06360	0.8
263.07205	2.3
263.10727	1.7
264.07935	5.1
265.12201	0.9
277.12115	1.1
289.08618	1.5
297.03845	0.9
303.10382	7.7
304.11075	11.0
305.11420	1.3
312.06396	2.8
329.19269	0.9
345.18484	1.5
347.20169	28.2
348.20508	2.5
373.18088	21.8
374.18356	3.1
391.19171	100.0
392.19547	14.8
449.14908	3.9
449.20129	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	449.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51275	0.7
59.01385	100.0
60.01718	0.9
61.98834	2.0
71.01401	3.5
71.53664	1.4
72.99306	1.0
73.02957	1.2
75.00889	2.1
76.53903	0.7
83.36997	0.7
85.02976	1.8
87.00892	1.3
89.02462	3.9
95.01435	1.0
96.96059	2.1
97.03019	0.8
99.00896	1.5
101.02463	1.7
108.02192	1.2
109.03005	1.6
113.02499	2.4
114.05648	0.7
117.05608	2.4
125.02454	1.0
133.05067	4.7
148.27348	0.7
149.02464	5.3
149.04427	0.8
151.03964	0.7
152.01202	0.7
161.04593	1.2
164.04794	9.9
164.07092	0.8
166.05174	1.3
174.01753	1.8
179.07147	17.5
180.07420	1.0
205.96185	0.9
227.09224	9.3
249.06161	1.0
413.16824	1.5
449.12073	2.9
450.16397	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	449.1973
Annotation	CHEBI:67870
Peak:m/z	Relative Intensity
52.20842	0.9
56.65902	0.9
59.01390	14.6
70.55543	2.1
70.55903	1.6
78.51562	0.9
86.83334	0.8
91.05573	1.2
96.87755	0.8
96.96043	2.2
98.20546	1.2
118.04230	0.8
119.05076	2.9
121.02943	1.3
128.06403	0.8
128.07491	0.8
135.04552	2.3
147.04536	52.6
148.04924	2.4
161.02426	1.9
163.98480	1.0
165.09244	2.0
165.19791	0.9
174.03206	4.4
175.04015	69.7
176.04366	4.2
187.04045	6.2
187.07635	1.9
215.07234	2.2
225.09248	2.0
227.14670	1.2
251.11052	1.5
255.23485	1.5
265.08746	8.5
266.09430	4.6
270.08969	10.9
278.09491	1.4
281.04636	1.1
293.69373	1.0
298.08447	7.6
306.12985	1.4
317.15680	1.1
321.15125	2.1
342.03979	1.9
347.16562	9.5
348.17145	1.4
377.21408	2.1
387.19772	2.3
405.20685	27.4
406.21301	3.0
424.99561	1.0
449.19958	100.0
450.20386	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	449.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93435	3.1
53.91880	2.8
58.40779	2.7
59.01386	100.0
61.98821	7.2
69.03437	3.3
69.84608	11.2
71.01390	25.0
72.99287	6.6
73.02954	9.0
75.00873	9.3
83.01385	4.2
85.02946	7.2
87.00893	4.0
89.02448	26.7
93.03415	3.3
95.01383	5.3
96.96009	8.3
97.02947	4.5
99.00866	6.6
101.02448	17.0
103.00413	2.8
108.02204	6.0
111.00915	4.2
113.02467	21.0
117.05575	22.6
125.02448	5.1
128.07198	6.0
133.05031	8.8
139.07571	3.0
146.08241	4.5
149.02518	3.3
149.04541	10.4
153.01718	3.3
155.03514	3.0
161.01170	3.1
161.04533	7.4
164.04881	3.2
165.05589	4.1
179.07101	7.8
191.05624	4.4
199.95679	5.3
219.95209	4.1
225.93671	4.2
226.94408	3.4
227.09273	3.9
251.11316	4.0
281.12363	3.5
282.93506	3.3
353.02087	5.1
388.99643	14.4
413.16635	55.5
449.14365	36.8
450.09308	3.7
450.15125	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	449.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01385	14.7
60.01702	0.4
61.98850	0.4
63.02404	1.7
65.00329	8.4
69.31243	3.5
71.01399	3.1
73.02950	1.1
75.00826	0.4
83.01394	4.5
85.02952	1.3
89.02464	2.9
95.01402	0.5
101.02460	1.6
107.01400	16.9
109.02946	1.3
113.02450	1.5
119.03531	1.2
125.02467	4.3
134.03743	1.0
135.04538	65.5
136.04865	2.8
137.02441	0.7
143.03557	0.5
148.20499	0.4
149.02563	0.5
149.04549	0.4
151.00381	100.0
152.00710	3.8
161.02466	0.9
161.04579	0.9
165.01933	0.8
169.01459	0.4
177.01976	0.8
179.05650	1.2
185.11833	1.4
193.01563	0.5
199.29291	0.4
243.06621	1.1
255.03131	0.5
256.03378	0.4
269.04532	2.6
281.17691	0.7
285.04211	0.6
286.04260	1.3
287.05637	82.7
287.60898	0.4
288.05969	6.9
299.18677	0.4
300.02780	0.6
301.03137	0.6
301.20380	0.6
302.03384	1.0
317.19626	3.2
389.21835	2.4
420.95334	0.4
441.31525	0.4
449.10889	13.7
449.19226	0.7
450.11032	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1224
Annotation	Methylinoscavin B
Peak:m/z	Relative Intensity
51.47421	0.9
52.00617	1.0
59.01383	10.8
60.14877	0.8
60.98502	0.8
61.39851	0.9
65.00311	1.3
65.50388	0.7
79.05530	2.6
84.32937	0.8
94.92480	0.8
96.96019	1.7
107.05031	8.3
119.08720	0.8
121.27070	0.8
123.04496	1.0
133.02933	1.2
135.04509	1.6
147.04561	5.7
147.73726	0.8
148.01712	2.4
150.03180	1.0
157.06601	12.2
159.04541	1.6
161.02420	1.6
163.03967	2.4
173.02405	0.9
173.06041	1.1
174.03151	1.0
175.03986	8.3
175.07640	3.3
181.06555	1.3
183.04532	2.9
187.04147	1.8
187.07668	25.7
188.08067	1.0
201.05562	10.0
211.04010	11.8
219.06586	1.2
219.93542	1.0
223.07744	1.4
227.07140	1.3
237.09340	1.0
245.09810	1.4
247.07730	1.1
249.05684	1.3
253.08627	1.2
255.06548	2.3
255.23416	1.0
259.07709	1.4
262.10181	1.0
263.03491	1.5
265.08716	5.8
266.09369	1.5
267.06744	4.4
270.08701	1.4
273.09204	4.8
275.07147	2.9
275.10617	1.5
277.05099	1.9
277.08405	0.9
278.09494	1.0
279.10236	1.1
281.08310	2.3
285.03983	1.1
287.04651	1.0
289.08722	2.4
290.09393	1.1
291.10367	4.6
291.13416	1.0
293.08240	4.7
298.08383	0.9
299.07291	0.9
301.08636	6.3
303.06723	1.5
307.09970	4.3
317.08170	5.0
318.08847	3.7
319.09802	9.0
335.09250	2.6
336.09924	1.0
341.07956	34.6
342.04077	1.7
342.08212	3.0
351.12485	13.6
352.12726	1.5
359.08997	2.8
361.21756	2.9
367.11960	1.5
373.10535	2.3
375.08585	2.4
377.21082	1.1
385.07117	4.6
389.21829	1.0
403.08014	3.3
405.20807	6.6
406.20630	1.1
431.25690	1.1
449.12161	100.0
449.19540	11.0
449.26950	13.5
450.12433	14.3
450.18524	1.6
450.27084	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	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19086	0.7
57.03455	12.6
59.01386	43.9
60.01727	1.9
61.01826	1.4
61.98838	17.5
63.02404	1.1
65.00327	4.2
69.17186	7.5
71.01388	5.8
71.97189	0.7
72.99305	1.1
73.02958	2.8
75.00880	1.1
77.90908	0.7
81.03466	2.6
83.01389	9.1
85.02986	1.7
89.02464	5.1
93.03481	3.1
95.01387	1.1
97.02934	1.7
99.00873	1.0
101.02457	5.4
107.01401	5.2
107.05089	2.1
109.02968	1.8
113.02451	3.6
117.03488	2.2
119.03503	1.5
121.02985	2.6
123.00877	0.9
123.04557	1.8
124.01744	1.0
125.02461	100.0
126.02818	2.6
131.05017	1.0
133.02986	2.2
135.04555	1.5
137.02463	0.9
137.49763	0.7
139.04024	2.3
145.06654	0.9
149.02457	9.7
151.00391	24.9
151.03973	2.2
152.01196	4.2
153.01927	8.0
157.06599	2.0
158.03737	1.1
159.04482	0.9
161.04558	2.1
163.00458	1.5
165.01888	1.4
165.05579	1.4
167.03560	1.7
167.04829	0.8
169.06650	1.7
172.05243	0.9
173.06102	4.7
174.23766	0.7
175.03976	0.9
176.01227	1.3
177.05638	2.8
178.99876	12.5
179.03433	4.1
179.05627	0.9
181.06621	0.7
183.04678	0.8
193.01378	1.3
197.06105	2.9
199.03998	1.6
199.07660	1.4
200.04799	1.2
201.05576	3.0
211.05960	0.9
214.32930	0.7
215.07123	5.8
225.05608	4.1
241.05048	2.2
243.06619	6.4
259.06131	75.5
259.52734	0.7
260.06409	5.9
269.04578	70.9
270.04898	5.5
283.06158	1.6
287.05649	59.9
288.05954	5.1
311.05524	1.9
315.07239	1.2
317.15842	0.9
329.06894	1.1
342.06000	2.1
389.21774	2.7
421.11377	1.4
431.10086	1.5
449.10919	66.5
449.20651	2.1
450.11166	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	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01384	100.0
60.01720	9.7
61.01812	1.2
61.98835	91.1
62.66833	0.5
69.19776	0.5
69.51325	2.1
69.51748	1.3
71.01385	8.7
72.01729	0.9
73.02946	1.9
75.00893	0.6
83.01398	1.5
85.02950	1.4
87.00893	0.9
89.02454	8.5
90.02783	1.2
101.02464	5.1
113.02482	3.4
113.41668	0.5
114.02805	0.8
119.03530	3.5
120.03812	0.8
125.01670	0.7
125.02459	8.2
135.04526	0.7
143.03452	1.1
149.02415	0.8
151.00395	2.6
153.01929	0.6
161.04582	2.9
178.99826	1.2
179.05534	2.1
180.05946	0.8
190.13162	0.7
200.04698	0.9
215.06953	0.7
243.06462	1.2
259.03836	0.5
259.06113	6.9
269.04568	7.0
275.08618	0.5
287.05643	5.0
310.40350	0.5
377.12534	0.5
388.20627	3.6
389.21140	1.0
448.22391	1.1
449.10983	7.3
449.20126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1091
Annotation	6-C-Glucopyranosyldihydrokaempferol
Peak:m/z	Relative Intensity
57.03199	1.1
57.03452	15.3
59.01384	42.4
60.01705	1.7
60.53832	0.9
61.01803	1.8
61.98833	24.0
63.02391	1.3
63.99256	0.7
65.00327	3.8
69.17136	3.1
69.17562	5.4
71.01388	7.4
73.02948	2.7
75.00873	1.1
81.03446	3.0
83.01390	9.0
84.92306	0.9
85.02940	3.2
89.02434	5.2
93.03465	2.6
95.01366	0.9
97.02948	1.5
101.02428	4.7
107.01395	5.4
107.04971	1.3
109.02980	2.2
113.02444	2.4
117.03456	1.8
119.03487	1.0
121.02997	1.5
123.04512	2.0
124.01670	1.2
125.02454	100.0
126.02798	3.1
131.04999	1.2
133.02946	2.2
134.03793	1.3
135.04515	2.0
135.86325	0.8
137.02454	1.2
139.03932	2.2
149.02444	10.1
151.00374	26.9
151.03967	1.9
152.01149	4.7
153.01971	7.1
157.06583	1.4
161.04530	2.2
163.00351	2.0
165.01917	1.3
167.03490	0.9
169.06616	1.7
172.05290	1.0
173.06065	4.8
175.04016	1.5
176.01167	1.5
177.02042	1.0
177.05589	2.0
178.99872	15.2
179.03485	7.5
180.05894	1.0
181.06619	1.3
193.01472	1.0
196.05334	1.0
197.06081	3.2
199.04060	1.3
200.04837	1.1
201.05635	5.1
211.06091	1.0
213.05562	1.3
215.07123	6.5
225.05496	4.2
241.05121	3.6
243.06712	5.8
259.06122	81.3
260.06442	5.3
269.04559	74.1
269.13782	1.2
270.04932	6.0
271.87323	0.7
283.06088	1.2
287.05615	58.0
288.05972	5.5
311.05615	2.6
315.07599	1.0
329.06427	1.0
342.05905	2.6
389.21738	2.0
390.60205	1.0
421.11502	1.2
431.09750	1.0
449.10901	65.5
450.11209	8.6
468.44043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
58.00608	2.8
58.02970	2.8
59.01383	81.2
60.01710	2.0
61.98826	3.2
71.01388	56.6
72.99325	4.2
73.02955	16.9
75.00881	3.1
79.37283	1.1
83.01421	2.8
85.02963	10.0
87.00893	4.3
89.02454	100.0
90.53094	1.2
95.01405	1.4
95.21491	1.2
96.96030	9.0
98.06143	1.2
99.00889	23.5
101.02452	40.4
109.02953	2.0
111.00890	1.6
111.08187	1.9
113.02451	12.0
115.04035	1.5
119.03514	3.7
123.04541	4.0
124.04906	1.1
125.02480	2.6
131.03511	18.3
136.04066	17.3
137.06073	2.6
138.05602	1.3
143.03496	1.5
149.04567	62.4
150.04915	2.3
153.05606	6.2
153.80707	1.1
154.05930	3.0
161.04546	4.6
164.03494	1.4
165.05446	1.5
167.07074	1.6
181.03194	1.3
185.09271	2.6
191.05634	14.9
212.06754	1.4
213.39864	1.1
221.06705	2.5
227.09190	3.0
229.40303	1.3
231.08562	1.1
242.04881	1.5
249.06155	4.2
251.07651	3.0
263.07660	3.5
267.07169	9.7
281.08914	2.9
299.04883	1.2
425.68079	1.4
448.15173	2.5
449.12497	3.3
449.18259	1.7
465.90033	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	448.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
57.03456	3.5
58.00599	2.8
58.02971	3.6
59.01385	100.0
60.01719	2.5
61.98835	9.0
69.03455	2.1
69.85936	3.1
69.86356	3.1
71.01389	68.7
72.01725	1.6
72.99318	5.8
73.02946	13.7
75.00880	2.3
83.01399	3.7
85.02961	14.0
85.30383	1.1
87.00881	3.5
89.02454	85.2
90.02811	1.6
93.03525	1.3
93.70112	1.5
95.01395	2.3
96.96014	8.2
97.02911	2.2
98.06140	2.7
99.00887	4.7
99.04488	1.9
100.87778	1.3
101.02457	38.9
109.02988	2.3
113.02460	16.7
114.02792	1.6
116.92819	1.4
119.03496	7.3
123.04558	9.7
124.04879	4.4
125.02488	3.0
126.05598	1.5
131.03517	22.3
136.04059	26.6
137.02461	1.9
137.06125	3.4
138.05626	3.8
143.03516	1.7
143.08321	2.3
148.41548	1.3
149.04579	48.9
152.01213	1.1
153.01907	2.0
153.05585	8.6
154.05925	8.1
161.04578	3.2
164.03542	2.6
165.01955	1.6
166.05103	1.8
179.05655	1.3
180.04221	1.2
181.04994	1.4
184.06178	1.4
185.09392	7.8
191.05632	10.6
220.38521	1.3
249.06155	3.8
254.24294	1.2
257.04700	2.5
259.06033	2.0
263.07724	6.5
267.07230	4.5
269.04437	1.2
281.08759	2.4
287.05655	3.7
341.09579	1.4
356.47845	1.3
431.12082	3.0
448.14951	6.8
448.21744	1.7
449.12317	4.5
449.18161	5.8
456.58307	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01160	1.9
59.01489	7.8
65.46313	0.5
66.54940	0.4
69.22810	1.6
69.23229	2.8
71.01468	1.1
78.95538	1.2
78.96038	4.1
96.96130	1.0
107.05112	0.9
110.98692	3.7
112.03105	0.5
133.03110	1.6
159.04539	8.6
167.01266	1.3
185.02222	4.1
203.15027	0.6
213.09122	0.6
225.09294	3.3
226.09892	0.6
237.09236	0.8
240.85280	0.5
241.11755	0.5
249.09192	0.7
279.23300	100.0
280.23679	9.4
284.03320	5.2
285.04056	9.0
291.14032	0.8
293.15543	1.1
297.04022	2.3
298.04810	1.5
299.05542	1.9
305.15485	13.1
306.15738	2.0
309.03726	0.5
327.05142	9.6
328.05533	1.0
333.14914	1.6
339.04974	0.9
345.14743	0.7
345.18597	1.1
357.06241	4.1
359.20154	1.2
371.20233	0.7
388.20273	1.3
403.22830	14.1
404.22784	1.7
427.34134	0.6
447.09406	8.7
447.15945	1.0
447.21368	19.0
448.08813	0.9
448.21887	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	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.3
59.01385	100.0
60.01720	1.3
61.73537	0.7
62.52147	0.7
64.96684	0.7
70.73456	1.9
70.73819	1.1
71.01385	21.4
72.99300	0.9
73.02964	2.5
83.01408	1.5
85.02943	5.0
87.00915	2.5
89.02454	28.7
95.01411	1.4
99.00885	0.8
101.02453	15.2
113.02449	11.5
117.72000	0.8
119.03506	16.6
126.01240	0.8
131.03502	1.7
133.02974	4.4
143.03520	4.0
146.14137	0.9
149.04547	1.7
152.85612	0.7
156.80948	0.7
159.03079	1.2
161.04579	12.5
163.00450	1.0
163.11359	1.2
175.03990	0.9
179.05664	9.1
187.56003	0.7
225.15045	3.9
284.03391	2.4
285.04108	3.2
292.55292	0.8
297.03973	4.1
298.04831	2.9
299.05533	5.0
307.02365	0.8
327.05099	27.9
328.05673	1.9
339.05273	1.0
357.06177	8.7
358.06528	1.6
387.20267	19.4
387.24969	1.2
388.20700	2.5
447.09314	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01385	100.0
60.01720	1.2
61.98838	0.8
64.81447	0.4
68.20508	0.4
69.59274	1.8
69.59692	0.9
70.82497	0.4
71.01386	11.1
73.02957	9.3
83.01402	2.4
85.02962	2.2
89.02457	7.4
90.75317	0.4
95.01415	1.3
98.20654	0.6
101.02453	10.3
113.02468	5.2
116.06366	0.4
119.03519	3.3
125.02448	0.4
143.03523	1.4
149.04559	0.6
161.04567	2.5
167.10849	1.1
179.05627	4.0
181.76416	0.4
186.78827	0.4
191.73830	0.4
216.78731	0.5
387.20300	2.5
397.11737	0.5
405.21356	2.2
447.22900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98766	0.7
55.01878	2.3
57.03447	3.0
58.00605	0.9
59.01386	72.8
60.01722	0.8
61.75501	0.7
61.98843	1.8
63.02406	1.0
69.03466	1.3
69.16335	0.7
70.65630	1.0
70.65968	1.2
71.01388	32.1
71.01782	1.6
71.05011	0.9
72.99296	1.7
73.02555	1.3
73.02953	20.5
75.00877	1.3
81.03429	0.8
83.01387	7.2
84.02157	0.6
85.02958	14.0
85.06605	3.8
87.00889	22.3
88.86562	0.6
89.02443	11.2
92.12498	0.7
95.01396	1.8
97.02942	1.6
97.06583	3.5
97.53590	0.6
99.00883	6.0
101.02455	25.4
105.45186	0.7
107.01371	2.0
109.02946	2.3
113.02468	12.6
113.09731	1.1
119.03484	3.6
121.02957	1.0
125.02404	1.1
130.99872	3.1
133.02977	7.7
135.04471	0.8
136.40273	0.7
143.03552	1.7
145.02968	1.5
145.06592	1.9
146.03772	1.1
147.04596	1.1
147.08144	1.1
149.02556	0.8
151.00359	2.8
153.12881	1.6
155.13261	1.1
155.14435	15.2
158.03749	1.8
159.03035	0.7
159.04456	1.2
160.05322	1.0
161.02463	1.4
161.04559	4.9
161.05901	1.0
163.00388	1.5
163.03998	1.3
165.01889	0.7
171.04494	0.9
171.08165	0.9
173.06079	12.9
174.06801	3.5
175.04015	3.5
175.07660	2.8
179.05576	0.9
181.12344	1.7
181.15970	4.9
184.05457	0.8
187.04037	1.7
187.07661	3.2
188.04796	2.3
189.05475	1.2
189.09210	3.0
191.03455	1.4
196.05318	0.9
198.03281	2.2
199.04102	1.1
199.07686	6.3
199.13408	24.0
200.04852	0.8
200.08417	1.2
200.13707	1.6
201.01903	1.1
201.05539	1.4
201.09238	2.1
202.06357	1.7
203.07118	2.4
211.04012	1.2
211.07640	0.7
211.13422	1.8
212.04756	1.4
214.06273	1.7
215.07207	4.3
217.08667	6.8
218.09488	5.1
225.09285	1.3
225.14970	6.2
227.03471	2.6
227.07094	5.9
228.07820	1.6
229.08762	0.8
240.04269	0.9
241.05061	0.9
243.06627	2.6
243.10277	2.5
254.48143	0.7
255.02982	2.8
256.03763	0.9
269.04620	1.2
271.13455	1.7
284.03287	26.1
285.04062	45.9
286.04410	3.1
297.04083	7.9
297.15173	0.9
298.04700	4.6
299.05624	10.0
311.05524	2.3
313.14392	2.0
314.14502	0.9
315.16031	1.1
325.03546	0.9
325.14447	4.5
327.05121	33.3
328.05460	2.7
329.23386	1.9
339.05060	2.4
341.13879	2.4
343.15439	1.6
350.10236	1.7
357.06134	14.8
358.06500	1.8
369.13492	6.3
385.16632	1.2
387.15179	1.1
387.20267	14.2
388.20560	1.9
405.21265	24.6
406.21561	2.2
429.08334	1.3
429.15463	1.2
447.09311	44.3
447.16501	39.8
447.22375	100.0
448.09689	4.5
448.16879	5.1
448.22711	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00746	0.3
54.35249	0.3
54.40273	0.3
55.96004	0.3
59.01385	100.0
60.01735	0.9
68.66937	0.3
69.97436	0.6
69.97820	0.8
71.01389	4.7
73.02971	1.5
83.01412	0.3
85.02962	1.0
89.02456	6.8
101.02457	3.0
113.02457	2.3
119.03498	2.5
131.03528	0.5
143.03539	0.7
149.04572	0.3
161.04616	1.4
179.05598	3.1
184.03902	0.3
224.84222	0.3
327.05157	0.4
387.20398	1.0
447.22687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01385	100.0
60.01720	0.6
70.30045	1.2
71.01388	6.8
73.02953	8.4
77.21547	0.4
78.48859	0.5
79.31797	0.4
83.01398	1.7
85.02973	1.9
89.02450	2.7
101.02449	6.1
113.02481	2.5
119.03526	0.8
131.03552	0.8
143.03587	0.5
161.04622	0.8
167.10852	0.8
178.34386	0.4
335.16119	0.5
405.21976	0.5
447.22446	0.5
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
55.01893	0.4
57.03471	0.4
59.01384	100.0
60.01727	1.4
71.01392	12.9
72.99293	0.5
73.02950	7.1
75.00881	0.5
77.49128	0.4
81.03455	0.5
83.01405	2.0
83.05012	0.5
84.50643	0.4
85.02960	3.2
89.02452	7.3
95.01408	1.1
97.02937	0.6
97.12479	0.4
101.02441	8.3
101.35686	0.4
102.58770	0.4
107.01382	0.6
108.61076	0.4
109.02953	1.3
111.00895	0.5
113.02462	8.2
117.03498	0.5
119.03530	2.4
121.02997	1.7
121.63958	0.4
123.52644	0.5
131.03497	0.4
132.02185	0.6
133.02963	9.8
135.04568	1.3
139.07669	0.7
141.06099	0.5
143.03558	1.0
145.02907	0.5
149.02415	0.7
151.00392	0.6
153.09242	1.6
155.03522	0.5
161.02499	1.2
161.04552	3.0
163.00418	2.1
163.04034	1.5
165.01987	1.8
173.12067	0.6
175.04114	2.2
177.01976	1.3
179.05661	1.7
193.01457	0.6
199.04041	1.5
199.07607	0.5
201.01979	0.8
203.03404	0.5
211.04109	0.5
212.04871	0.5
213.05663	0.5
225.05591	1.0
227.03496	0.6
240.04485	0.5
241.05067	0.8
243.16008	2.3
253.05119	1.6
255.02962	1.1
255.06570	0.8
256.03671	0.6
269.04568	1.5
271.06015	0.9
284.03302	3.8
285.04053	8.9
286.04355	0.7
297.00623	0.7
297.04047	15.0
298.04803	10.3
299.05588	17.6
300.05908	1.3
309.04211	0.6
311.05545	3.7
324.02707	0.7
325.03485	1.1
327.05103	53.4
328.05478	5.7
330.03839	0.7
339.05096	6.1
341.06442	0.8
357.06177	32.4
358.06610	3.5
369.06174	1.6
387.06924	0.7
387.20337	5.4
399.06943	0.6
405.21118	2.2
411.07309	0.7
429.08313	4.6
447.09317	31.5
448.09735	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	447.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52121	1.1
59.01375	1.3
65.80005	1.2
70.40898	1.1
71.01382	5.5
71.35245	2.6
73.02956	3.4
74.33643	1.1
75.36926	1.2
77.13351	1.2
87.00872	2.3
89.02452	25.7
91.16308	1.3
103.03998	3.4
105.01950	6.2
108.02174	4.8
128.02599	1.2
130.07408	1.3
131.03513	7.4
131.04327	1.2
149.04570	100.0
150.04881	1.9
152.01129	7.7
257.53268	1.4
447.11392	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
57.03445	1.9
58.00592	2.3
59.01384	100.0
60.01720	1.0
61.98840	1.1
63.02396	1.0
67.38585	0.9
69.03473	1.3
69.67359	1.0
71.01388	71.5
71.55239	1.1
72.99320	3.5
73.02953	28.1
75.00883	1.7
83.01400	6.9
83.05017	1.8
85.02957	10.4
87.00890	13.5
87.60746	0.8
89.02454	71.9
95.01396	2.6
97.02956	2.0
97.06598	1.6
99.00886	16.0
99.04510	1.2
100.09306	0.8
101.02456	40.8
102.02779	1.2
108.02168	1.7
109.02957	2.2
113.02460	16.7
115.03998	1.4
119.03510	16.4
121.02998	1.6
125.02448	4.1
130.99854	1.6
131.03502	12.1
133.02953	7.2
135.00914	0.9
135.04582	1.6
137.02505	1.4
139.11259	0.9
139.37596	0.9
143.03496	4.2
146.50089	0.8
147.02966	1.0
149.02657	1.5
149.04562	33.4
151.00395	1.7
151.11266	1.4
152.01141	1.0
153.12828	1.4
157.08664	1.0
159.04475	1.0
161.02467	1.7
161.04575	7.7
163.00343	0.8
163.04060	1.1
173.06081	5.7
174.06831	1.4
175.04041	2.0
175.07646	1.3
179.05574	6.0
187.03920	1.6
187.07690	1.2
189.09283	1.6
191.05629	8.7
191.07227	1.2
195.10362	1.0
199.03940	1.2
199.07678	2.9
199.13460	3.5
201.01872	1.0
201.05655	1.9
203.07144	1.6
211.04066	1.4
213.05499	1.2
214.09930	1.4
215.07172	2.6
215.10786	2.0
216.07858	1.2
217.08662	2.2
218.09489	2.5
219.17473	1.2
221.06738	1.2
225.05722	1.0
225.09258	1.4
225.14993	1.1
227.03506	3.1
227.07132	3.1
229.05081	0.8
233.06647	1.1
240.04196	1.1
241.05267	1.0
241.08574	1.1
242.09332	2.0
243.06592	2.0
243.10188	3.0
243.13921	1.0
244.07309	1.3
251.07825	2.1
255.02953	4.5
256.03693	2.5
269.04581	1.4
269.15366	1.0
270.05359	2.2
271.13406	7.0
271.64935	0.8
281.17566	4.0
283.02539	1.5
284.03281	26.6
285.04065	44.0
285.07532	3.0
286.04343	2.8
297.04102	7.8
298.04880	5.6
299.05637	8.3
299.18723	5.0
300.19028	0.8
311.05490	2.2
313.14432	2.8
315.16071	3.4
325.14365	3.7
327.05121	35.6
328.05405	2.6
339.05023	2.3
341.13910	2.0
343.15317	1.1
350.10062	1.0
357.06180	13.4
358.06683	1.1
369.06226	0.9
369.13428	5.6
385.16757	1.6
387.14368	1.0
387.19989	4.3
405.20972	4.2
429.08557	1.2
447.09296	41.9
447.16455	37.2
447.22394	49.6
448.09729	4.0
448.16882	4.2
448.22754	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	447.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.6
58.00600	1.1
58.60218	0.6
58.99555	0.6
59.01385	100.0
61.98829	2.4
69.03449	1.4
70.63454	0.7
71.01391	10.9
71.51619	0.6
71.55379	0.6
72.99334	1.3
73.02953	3.7
75.00867	0.9
83.01394	1.1
85.02964	3.6
87.00889	9.7
89.02460	15.1
97.06615	2.0
99.00899	2.7
101.02454	9.1
107.01424	0.8
109.02956	1.2
113.02473	3.8
115.34924	0.8
119.03545	2.5
121.02922	0.7
122.03749	1.3
122.32337	0.7
125.02476	1.1
130.99883	1.9
131.03537	2.7
133.02979	5.6
135.04495	1.5
137.06111	1.9
147.04649	0.8
149.04602	6.6
150.37091	0.7
151.00401	1.2
159.04492	0.9
161.04604	1.5
163.00447	1.5
165.01930	0.9
171.08145	0.8
173.06078	6.2
174.06808	2.2
175.03989	1.1
175.07597	1.3
179.05695	0.8
186.06879	0.9
187.03993	0.7
187.07677	2.3
188.04778	1.7
189.05698	0.8
189.09192	0.9
189.24593	0.9
191.05692	1.3
198.03217	1.7
199.04031	1.1
199.07709	2.9
200.08536	1.2
201.01884	0.8
201.05569	1.3
201.09277	0.8
203.07225	2.1
211.13474	3.5
212.04953	0.8
215.07127	2.0
215.10654	1.2
216.07927	1.0
217.08624	3.9
218.09517	2.5
225.09273	1.4
227.03514	1.1
227.07159	3.7
228.07780	0.8
242.09601	1.6
243.06732	1.7
243.10271	6.5
244.07486	1.0
253.08914	0.8
255.03027	1.3
256.03778	1.4
271.13449	5.3
284.03302	16.6
285.04071	29.7
286.04391	1.6
297.04083	6.1
297.14996	1.2
298.04782	4.4
299.05606	6.6
299.18750	1.1
311.05756	1.7
313.14633	2.0
315.16113	2.6
325.14459	2.6
327.05106	22.2
328.05530	1.6
339.05075	1.6
341.14041	2.0
357.06168	10.0
358.06586	1.5
369.13583	5.0
387.14749	1.1
429.08780	0.9
447.09515	27.7
447.16705	38.9
447.22226	3.2
448.10059	3.4
448.16705	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	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32312	0.3
57.42843	0.3
59.01390	4.0
62.96423	1.1
70.92218	0.7
78.95913	41.5
87.99745	0.3
88.80785	0.3
89.02469	0.3
96.96027	0.7
96.96960	3.0
121.02979	0.6
133.02972	2.3
149.00107	21.2
149.47948	0.3
150.00580	0.4
151.00352	0.6
158.92537	1.8
163.00429	0.6
165.01924	0.3
175.04033	0.5
179.01149	3.1
189.12622	0.3
199.04060	0.5
201.05548	0.4
205.15993	1.7
227.03540	0.9
236.08543	0.5
255.03108	0.4
270.02292	0.3
280.07217	0.3
280.94238	0.3
282.37527	0.4
284.03259	5.9
285.04050	10.7
286.04315	0.7
297.04080	1.6
298.04929	1.3
299.05640	2.6
311.05756	0.5
327.05127	9.6
328.05621	0.5
339.05219	0.9
345.07507	0.5
347.05222	4.7
357.06229	4.1
358.06680	0.3
362.07639	2.1
373.07074	0.4
375.12357	0.5
377.10101	4.6
378.10641	0.5
406.27933	0.3
417.12524	1.1
429.08441	0.5
431.10248	2.4
432.10864	0.5
447.13620	100.0
448.14026	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	447.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14632	0.6
57.03440	0.9
59.01384	100.0
60.01726	1.3
61.98833	1.2
65.02893	0.6
69.03461	23.3
71.01389	26.4
71.05050	0.9
72.99318	1.2
73.02953	18.5
75.50803	0.6
79.01894	13.4
81.03451	0.9
83.01395	6.3
85.02961	5.7
87.00892	2.4
89.02448	10.1
93.03475	2.2
95.01397	5.2
97.02959	13.9
99.00887	1.9
101.02449	17.8
105.03468	0.7
107.01398	27.6
108.02225	5.7
109.02959	4.3
113.02454	9.1
114.82623	0.6
117.83971	0.6
119.03519	3.7
121.02952	3.5
122.03761	6.3
123.00902	6.8
125.02460	24.6
127.11248	0.8
131.03474	1.7
133.02969	6.2
134.03766	0.7
135.04527	1.2
136.01628	2.6
137.02443	3.6
137.06093	7.2
143.03499	1.9
145.02971	0.8
147.04515	0.9
149.02423	2.9
149.04576	1.5
151.00369	30.2
151.01593	1.5
152.00969	1.7
153.01958	7.3
153.09248	0.8
153.12848	2.6
161.02480	1.3
161.04572	5.0
163.00317	0.7
163.04028	3.3
165.01930	0.8
166.02773	0.8
167.03365	0.7
175.03978	2.0
177.01932	4.9
179.05565	1.0
191.03430	1.0
197.06107	3.8
198.06735	0.9
199.03859	0.9
199.07648	1.0
199.13385	1.7
207.14029	0.9
213.05560	0.9
213.11278	1.0
225.15027	3.5
227.03539	1.1
228.04167	0.7
242.05873	38.4
243.06592	23.3
243.10324	1.9
243.15977	1.4
244.06984	1.6
244.09566	1.5
255.02951	1.7
256.03558	2.0
279.05063	2.2
284.03287	20.0
284.06433	1.0
285.04080	38.4
285.07437	2.8
286.04285	2.7
297.03738	2.2
297.06207	2.4
298.04572	3.1
299.05630	4.6
299.18735	4.4
315.18015	2.4
315.21545	1.0
327.01486	1.0
327.05112	18.5
327.08945	1.3
328.05429	1.6
339.07645	3.3
357.06110	7.3
387.20114	4.8
388.19812	0.6
405.21048	4.9
406.21545	0.9
429.07907	1.2
447.08978	30.6
447.22189	28.8
448.09448	2.7
448.22598	3.1
455.80823	0.6
469.97235	0.6
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
50.50991	0.3
53.15549	0.4
53.82802	0.3
57.32951	0.4
59.01380	1.3
62.96411	1.3
70.92131	0.9
70.92501	0.4
75.46516	0.4
78.95912	38.4
85.84538	0.3
96.96962	2.8
107.01402	0.6
133.03008	1.2
149.00104	17.8
150.00444	0.4
158.92566	1.5
179.01134	2.3
205.15965	1.8
222.25525	0.4
255.03082	0.5
255.80261	0.4
256.03983	0.4
284.03281	3.4
285.04095	5.1
286.04382	0.6
297.04034	0.7
299.05682	1.4
327.05118	4.3
347.08423	0.9
357.06168	1.8
417.12653	0.6
429.08041	0.6
431.10202	2.6
447.13535	100.0
448.08337	0.7
448.13907	10.1
448.19635	0.7
464.10083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10084	1.0
55.01858	1.2
58.00584	1.3
59.01384	100.0
69.03461	50.1
69.03811	1.4
69.37607	1.6
69.37943	10.2
71.01388	29.3
72.28564	1.2
72.99252	1.3
73.02954	27.6
75.00848	2.1
79.01895	32.9
81.03424	3.3
83.01379	6.7
85.02972	7.9
87.00867	6.9
89.02457	10.6
93.03419	2.3
95.01401	9.6
97.02958	28.1
98.03255	1.3
98.20615	2.3
99.00848	2.2
101.02448	21.5
107.01402	65.4
108.02225	9.9
109.02975	10.7
113.02469	9.8
119.03445	2.3
121.02997	6.6
122.03721	5.8
123.00878	15.0
125.02457	42.8
131.03439	1.7
133.02966	9.5
135.00867	1.4
135.04460	2.7
136.01559	4.5
137.02483	7.2
137.06120	7.0
139.11290	1.2
149.02361	5.4
149.04465	2.6
151.00375	67.2
152.00937	3.9
153.01932	15.8
153.12759	5.1
153.81262	1.1
161.02376	2.1
161.04575	6.1
161.28922	1.3
163.00269	1.4
163.04021	8.2
165.01743	1.3
167.10730	2.6
175.03891	4.1
177.00647	0.9
177.01921	9.8
181.04910	1.8
191.03392	1.6
197.06094	8.6
199.03947	3.0
199.13281	2.7
225.14764	4.2
227.03468	2.4
227.06969	1.5
232.67871	1.2
233.08069	1.5
241.04886	2.5
241.08369	1.2
242.05859	92.7
243.06580	55.0
243.10252	5.0
244.06770	5.3
244.09348	1.4
255.02782	3.6
256.03439	3.6
271.13147	4.2
279.05093	6.8
284.00491	2.2
284.03290	29.3
285.04077	57.4
285.07294	6.9
286.04114	3.8
287.16440	1.4
297.03751	6.2
297.06149	6.4
298.04443	5.2
299.05640	8.1
299.18320	3.4
311.05304	2.1
313.14276	1.2
315.15588	1.5
327.05090	39.2
328.05164	3.5
339.06824	8.2
340.06964	1.3
357.06171	18.3
369.13190	2.5
387.14728	1.4
387.19910	5.7
405.20969	5.1
447.08884	40.6
447.16229	7.4
447.21936	34.1
448.09320	6.0
448.22327	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	447.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01384	66.6
61.98828	2.7
68.99860	1.1
69.03463	59.1
70.03783	1.1
71.01391	11.3
72.99326	1.5
73.02954	2.6
79.01899	24.7
81.03470	4.9
83.01398	3.6
83.05013	1.9
85.02962	7.4
87.00897	1.9
89.02440	5.0
95.01399	11.3
96.96015	6.3
97.02356	2.3
97.02959	35.2
98.20777	2.0
99.00859	1.9
101.02464	5.2
104.54007	1.3
105.03423	1.1
107.01398	58.8
107.05004	1.1
108.02197	16.9
109.02981	5.9
113.02444	5.5
119.03518	2.5
121.02943	4.6
123.00900	19.8
125.02456	65.2
126.02804	2.0
133.02957	15.9
134.03688	2.1
135.00900	51.3
135.01936	2.5
135.04523	2.8
136.01587	4.2
137.02441	2.8
147.04468	1.7
149.02434	5.1
151.00385	72.0
152.01169	37.0
153.01849	4.9
155.07126	1.9
161.02530	2.0
161.04527	4.0
163.03992	6.9
165.01947	2.5
173.02451	1.3
175.03992	4.2
177.01938	10.9
179.05576	2.5
183.04591	1.5
191.03484	1.3
197.06096	3.5
199.03989	3.6
201.01895	1.3
211.03955	1.9
213.05577	1.7
215.07347	1.3
217.04901	1.4
225.05597	2.1
225.14955	1.2
227.03572	6.5
228.04353	1.9
239.03450	1.5
241.05107	2.1
242.05858	79.9
243.06602	59.0
244.07024	5.1
251.03261	1.7
255.02930	7.3
256.03708	5.2
257.04565	1.6
262.94330	1.3
269.04550	1.7
284.03284	63.7
285.04059	100.0
285.07489	3.2
286.04410	8.3
296.20074	1.3
297.04056	14.3
297.07260	2.4
298.04791	12.8
299.05582	20.4
299.18707	8.1
300.06152	2.1
309.04132	2.0
311.05518	3.5
315.08914	1.2
327.05106	73.1
328.05573	5.9
339.05191	5.0
357.06161	31.9
358.06888	1.8
387.11002	1.7
387.20114	1.7
429.08337	3.4
447.08731	88.6
447.26355	3.1
447.33328	2.2
448.09109	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	447.1301
Annotation	Siebolside A
Peak:m/z	Relative Intensity
50.95845	0.2
58.37198	0.3
59.01381	2.3
65.00333	0.7
65.03943	0.3
70.07803	1.4
77.03992	0.3
80.02681	0.5
87.00406	0.6
87.00886	6.7
91.01900	15.7
92.02198	0.3
94.62573	0.3
95.01405	0.6
97.06602	0.5
99.65058	0.3
101.02468	0.4
107.01424	0.5
107.05054	0.5
108.02184	19.1
109.02987	4.4
121.02976	1.2
123.00896	5.6
124.01665	0.7
130.99878	2.6
133.02992	0.9
135.00891	14.1
136.01234	0.6
137.02487	3.8
147.08206	0.4
149.02411	0.5
151.00449	0.4
152.01160	17.3
153.01505	0.8
158.03732	0.5
159.38655	0.3
159.93298	0.3
160.05193	0.3
169.06509	0.4
173.06059	2.9
174.06813	0.7
175.07707	0.5
177.01918	0.4
187.07619	1.1
188.04762	0.4
189.09277	0.4
197.06094	1.7
198.03197	0.6
199.07678	1.1
201.09200	0.5
203.07118	0.7
213.05722	1.5
215.07133	2.1
217.08719	1.3
218.09428	1.5
219.10083	0.3
225.05582	0.6
225.09253	0.4
227.07185	1.6
243.06631	100.0
244.06955	7.5
255.03194	0.3
284.03293	2.2
285.04083	3.6
297.04108	0.9
299.05545	0.8
313.14670	0.5
325.14478	0.6
327.05109	3.5
341.13977	0.9
350.09982	0.8
351.10391	0.3
357.06213	1.4
369.13516	1.0
387.10788	0.9
387.15100	0.4
447.09320	1.6
447.17322	7.7
447.25732	0.4
448.09073	0.3
448.17435	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40199	0.4
56.74268	0.3
59.01386	2.6
63.02391	1.1
65.00349	1.1
69.35175	2.9
83.01397	0.9
107.01410	2.7
109.16915	0.3
121.02943	0.7
132.02231	0.3
133.02969	4.7
134.03751	1.0
149.02423	1.1
149.99689	0.4
151.00359	4.3
169.36505	0.3
174.56836	0.4
175.04031	2.0
183.04547	0.7
187.03906	0.4
189.05603	0.4
199.04008	1.7
200.04680	0.6
201.01897	0.4
209.47740	0.4
211.04033	1.4
217.05032	0.8
227.03499	1.4
239.03375	0.6
241.05013	0.8
255.03021	1.2
256.03757	4.7
283.02542	1.0
284.03271	59.7
285.04037	100.0
286.04404	8.7
286.07394	0.7
327.05014	1.4
402.00772	0.5
447.09323	64.3
448.09680	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	447.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.4
63.09291	0.6
70.83205	1.4
71.01395	7.1
73.02947	2.6
83.01399	0.9
85.02951	3.0
89.02466	1.0
95.01414	1.4
99.00891	2.3
101.02459	3.0
104.14352	0.6
108.02190	54.0
109.02377	1.0
109.02990	14.7
113.02473	2.1
123.04556	1.0
135.04547	0.9
145.31349	0.6
151.03986	1.2
152.01167	96.6
153.01889	3.8
159.03036	0.8
161.04657	2.7
163.04033	2.5
177.68993	0.7
179.03401	1.0
271.08304	1.0
315.07178	1.5
325.74039	0.6
385.49310	0.6
447.11484	100.0
448.11835	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33781	0.3
59.01385	5.7
68.99823	0.3
70.00240	0.3
70.72098	1.0
71.01378	1.0
77.03953	0.4
79.01888	0.5
81.03458	0.4
89.02443	0.8
97.02921	0.4
101.02437	0.8
107.01420	0.4
109.02975	1.7
116.46252	0.4
119.05038	0.6
121.02969	1.6
125.02432	1.1
126.16816	0.3
132.02106	0.4
133.01938	0.6
133.02959	11.5
134.03355	0.4
134.41646	0.3
135.04529	1.2
137.02408	0.4
147.04510	1.1
149.02509	1.6
151.00424	0.8
151.04027	0.6
153.09196	0.8
161.02403	1.2
161.04517	0.6
163.00356	2.2
163.03999	2.7
165.01917	1.6
173.02507	0.5
175.04001	2.9
176.04309	0.4
177.02019	0.8
184.15712	0.4
191.03493	1.6
193.01440	1.7
197.06189	0.5
199.04004	1.5
201.01909	1.5
203.03436	0.5
209.05867	0.4
212.04659	0.6
213.05603	1.3
225.05513	0.7
225.14984	2.1
227.03529	0.8
227.07213	0.4
231.06616	0.4
240.04184	0.8
241.04990	0.8
243.02965	0.6
243.06665	0.6
243.56552	0.4
251.03632	0.4
253.05040	1.2
255.02946	1.1
255.06729	0.5
256.03699	0.8
257.04437	0.5
265.96133	0.4
269.04431	0.9
270.05072	0.4
281.04605	0.7
284.03281	8.9
285.04074	7.7
297.04056	16.6
298.04788	10.1
299.05618	18.6
300.06009	1.5
309.04086	1.3
311.05487	2.8
312.05869	0.5
324.02484	0.7
325.03510	0.8
327.05103	100.0
328.05441	11.4
339.05032	3.8
340.05420	0.7
341.06671	1.1
357.06161	28.3
358.06537	2.6
369.06201	2.9
387.20193	0.7
393.06131	1.4
447.09329	19.6
448.09705	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	447.0937
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.32699	0.2
52.86323	0.3
57.03436	0.3
59.01386	9.6
63.02419	0.2
65.00334	0.5
65.98415	0.3
69.68761	0.6
69.69183	1.1
69.86850	0.3
73.02950	0.7
75.00854	0.3
81.63988	0.3
83.01382	0.7
85.02953	0.5
88.07352	0.2
89.02451	0.7
98.20577	0.3
101.02449	1.0
107.01383	1.1
109.02953	0.7
113.02470	0.9
116.47861	0.2
119.03492	0.5
125.02460	0.6
133.02971	0.7
135.00873	0.5
139.00409	0.3
151.00362	2.7
151.71585	0.2
153.01920	0.4
159.04507	0.4
161.04611	0.4
163.00392	0.9
165.01985	0.3
174.03304	0.3
175.03943	0.7
178.99863	0.5
179.05743	0.3
183.04480	1.5
183.10213	0.4
185.06027	0.6
187.03983	0.6
191.03523	0.4
195.04553	0.3
199.03989	0.6
208.57710	0.3
211.04060	2.0
213.05573	0.5
215.03499	0.4
217.04929	0.3
227.03506	68.7
228.03853	5.3
229.05011	1.8
239.03523	0.8
240.04082	0.3
241.05043	0.3
243.02969	0.5
255.02997	81.4
256.03564	11.4
257.04361	1.4
269.04468	0.5
283.02414	0.3
284.03271	64.6
285.04004	36.0
285.06711	0.5
286.04434	2.9
299.05551	0.6
300.02838	0.4
315.17932	0.3
327.05136	3.1
328.05450	0.5
339.05084	0.3
357.06149	0.9
387.20276	0.9
405.21231	0.5
447.09329	100.0
448.09689	12.8
448.16034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03196	0.3
59.01383	3.5
61.24357	0.3
61.98837	100.0
69.24286	0.8
69.24709	2.6
71.01385	1.6
73.02974	0.6
79.30316	0.3
85.02976	0.5
89.02471	1.0
96.96046	0.6
98.20703	0.7
99.00926	0.4
101.02484	0.9
102.51204	0.3
108.02201	3.1
109.02971	1.6
113.02485	1.0
117.05597	2.1
130.08803	0.7
136.08360	0.3
152.01186	5.5
153.01968	0.9
161.04704	0.5
164.07199	0.5
183.46564	0.3
447.11453	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.7
60.23012	0.6
65.00360	0.8
69.77712	3.3
71.01387	2.4
73.02960	1.5
79.01881	0.6
83.01412	0.7
89.02444	2.8
95.01375	0.7
98.20630	1.1
101.02441	2.5
109.02950	1.8
113.02428	2.3
119.03539	0.7
121.02982	1.7
133.02953	11.1
135.04512	1.5
138.18410	0.6
149.02496	0.7
161.02425	1.0
163.00352	2.0
163.04053	1.5
165.01910	2.0
172.32770	0.7
175.03998	2.9
177.01878	1.1
191.03497	0.7
193.01436	0.9
199.03979	2.0
201.02036	1.2
212.04805	0.9
225.05518	1.2
226.02541	0.7
229.05005	0.7
240.04300	0.9
253.05255	0.8
255.03079	0.8
269.04477	1.2
281.04456	0.8
284.03333	4.9
285.04047	14.5
286.04358	1.0
297.04053	23.8
298.04800	16.6
299.05582	28.2
300.06012	3.1
309.04013	2.2
311.05603	6.0
324.02823	1.2
325.03604	1.8
327.05106	100.0
328.05493	10.9
339.05121	11.0
340.05402	1.4
341.06781	1.4
357.06168	62.0
358.06528	7.2
369.06104	2.7
376.22446	0.7
387.06906	0.8
387.20398	1.6
405.21036	1.2
411.07260	1.7
429.08353	9.5
447.09335	55.5
448.09628	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04925	0.6
57.03447	2.0
58.00599	1.1
59.01383	100.0
59.04534	0.5
59.23484	0.5
60.01709	0.9
61.44923	0.4
62.13703	0.5
69.71929	2.5
69.72340	0.8
71.01386	20.8
72.99323	1.1
73.02954	0.8
82.59113	0.5
83.01387	0.7
84.02212	0.5
85.02944	2.9
87.00882	0.9
89.02450	33.5
94.82513	0.5
95.01419	1.6
98.19888	0.7
101.02450	11.8
113.02460	8.4
119.03516	14.1
131.03525	2.1
134.03789	0.7
143.03487	3.8
149.04575	1.8
153.09221	1.0
161.04544	4.7
179.05637	16.0
179.07129	0.9
190.29448	0.6
223.13434	1.5
225.05658	0.5
227.09094	0.5
231.17854	0.6
241.14471	0.7
267.07324	0.9
269.07208	0.7
271.19412	0.6
385.18488	0.7
445.12521	1.2
445.21082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
61.82815	0.4
69.14513	0.4
69.97452	0.4
71.01400	0.5
78.95908	6.5
98.19846	0.8
110.98522	4.5
132.97430	0.4
167.01218	2.9
185.02209	3.8
277.21735	100.0
278.22107	8.2
445.23630	5.9
446.24255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09089	0.6
53.74204	0.4
56.25092	0.5
57.03456	1.0
59.01387	100.0
60.01716	0.9
66.35825	0.5
69.03519	0.5
69.49124	3.4
69.49519	0.9
71.01389	15.8
73.02966	1.2
74.32130	0.5
83.01402	0.7
83.05038	2.2
85.02955	2.6
87.00906	1.1
89.02455	26.1
95.01415	0.8
98.19863	1.0
101.02458	9.4
101.60381	0.5
113.02471	8.3
119.03526	9.8
131.03528	1.2
140.45416	0.5
143.03554	2.4
149.04640	1.6
161.04599	4.0
179.05629	16.9
193.40804	0.5
196.89319	0.5
205.12367	0.6
241.14482	0.9
246.52124	0.6
286.58655	0.7
294.58939	0.6
385.18811	0.7
445.20825	0.8
460.82376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	36.6
69.40258	13.4
69.40675	26.1
85.44152	5.4
88.14704	5.3
89.55139	5.2
92.63238	5.4
96.96029	5.8
112.54018	6.2
121.02969	8.1
122.03695	5.6
135.04527	6.0
161.02426	6.5
162.37766	5.2
174.03159	6.1
175.07603	5.3
203.07233	5.4
230.54370	4.7
241.31340	5.3
245.15414	14.7
250.17543	6.0
253.32947	5.4
269.04593	9.4
284.14160	6.3
285.14944	20.9
297.04147	6.5
302.78778	5.6
303.16016	32.6
383.29718	9.2
385.27615	16.6
401.30957	5.7
409.20285	100.0
410.20306	16.9
445.07581	10.3
445.28833	62.3
445.34225	18.1
446.29559	8.1
463.30322	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56038	2.4
59.01388	30.1
61.98829	3.1
62.01302	2.2
67.01900	20.4
70.85843	6.4
73.52612	2.3
76.79975	2.4
103.91837	2.7
121.02950	3.6
134.03690	3.3
135.04524	2.6
148.05318	8.9
149.05972	3.0
153.02014	2.6
163.03934	4.5
163.49026	2.1
187.04028	2.9
188.08478	2.3
195.11710	4.2
239.10785	100.0
240.11194	6.6
255.02930	4.6
269.04538	12.0
283.02515	3.0
283.09833	8.5
297.04028	5.7
325.03580	3.9
347.19876	5.5
355.16837	4.7
365.21390	5.4
388.45242	2.7
391.19189	3.2
409.20248	95.0
410.20624	11.6
445.07538	5.5
445.13086	4.4
445.29608	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	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.5
57.03448	3.7
59.01385	27.9
61.98845	1.3
69.75124	6.5
71.01389	86.6
71.63764	1.3
73.02953	29.4
74.16190	1.2
75.00861	2.3
83.01393	6.5
85.02960	34.3
87.00885	4.0
89.02455	14.6
95.00879	1.2
95.01398	7.0
96.96011	3.8
97.02963	2.5
99.00888	21.8
101.01799	2.4
101.02456	39.8
107.05039	100.0
108.05396	3.2
110.50075	1.1
113.02462	35.4
114.02807	1.6
123.04532	1.6
125.02476	2.5
129.01933	1.6
131.03493	2.9
143.03535	6.2
151.04016	3.5
159.02991	8.2
161.04568	77.8
162.04875	2.5
181.01457	1.4
191.05589	3.5
191.07202	1.6
269.10333	9.1
287.43784	1.2
293.08896	1.9
401.14514	58.6
402.14816	5.9
404.15891	1.8
409.07800	1.9
445.13513	62.5
446.13638	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	445.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78984	0.2
59.01388	4.9
69.03429	0.4
69.85271	0.7
69.85662	0.5
71.01344	0.7
73.02916	0.5
85.02915	0.6
89.02423	0.4
98.19910	0.3
101.02436	0.6
113.02433	0.7
117.03383	0.2
121.02932	0.5
131.01350	0.4
132.02202	1.8
135.08040	0.3
151.00304	0.6
152.07144	0.4
160.01656	0.3
161.04503	0.4
167.04999	0.7
175.00412	1.2
176.69678	0.3
181.12315	0.3
183.04491	0.5
184.05171	0.6
195.04535	1.7
196.05225	1.0
211.03973	1.4
212.04774	3.2
223.04030	2.3
224.04805	11.0
225.05058	0.8
227.03464	0.7
239.03537	5.5
239.07176	0.4
240.04256	2.8
251.03474	0.8
255.02910	0.9
255.06696	0.4
256.03815	1.8
267.03003	6.4
268.03778	30.1
269.04193	2.3
271.02469	1.1
272.02844	0.4
281.09351	0.9
282.05338	4.3
283.06140	100.0
284.06488	8.7
284.09634	0.4
294.02417	0.3
295.15594	0.6
300.02847	1.4
301.03601	2.9
313.16672	0.3
329.35699	0.3
445.11569	12.8
445.20633	0.6
446.11865	1.7
446.17429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03447	2.3
59.01386	53.5
60.01717	1.3
71.01389	12.2
71.05029	5.0
71.55482	1.7
72.00893	1.3
73.02946	7.0
75.00894	1.0
79.65580	1.3
83.01384	2.3
85.02950	4.7
85.06592	8.7
87.00878	2.3
89.02458	6.1
97.06588	2.2
99.00888	27.3
99.08164	2.5
99.42828	1.3
101.02470	7.5
109.06606	4.9
111.04533	33.5
113.02458	4.8
114.09265	5.5
115.06928	2.0
115.07662	22.0
119.03550	1.3
125.17410	1.2
127.07662	28.4
127.11301	1.2
128.08000	1.9
128.10796	5.0
129.05624	8.7
131.03587	1.8
136.07686	2.2
138.09288	2.2
140.10783	5.4
143.03517	1.4
149.02438	3.7
149.04546	9.6
151.00435	1.9
152.10857	1.6
153.12909	1.1
156.10312	60.4
157.10568	2.6
158.11882	100.0
159.12198	3.8
161.02423	2.1
161.04549	2.7
163.00415	1.4
167.10693	1.6
167.37396	1.1
171.06641	11.4
175.04019	1.2
175.93176	1.2
177.01984	2.6
182.15508	1.5
196.09792	3.8
211.09801	2.0
212.16515	3.6
214.10913	8.6
230.09970	1.1
236.06366	2.2
237.09100	2.6
238.09511	4.2
241.14436	2.7
250.18239	2.0
268.03912	1.5
269.04602	3.4
271.02362	2.4
281.04541	3.6
281.08035	2.6
282.08505	3.6
283.02759	2.0
283.06140	3.1
297.12299	1.4
297.17224	1.9
300.02640	2.7
301.03531	8.8
312.18198	91.1
313.18719	7.4
357.09802	1.5
358.10342	1.7
444.13885	21.1
444.22125	4.4
445.08710	2.0
445.14798	8.7
445.20966	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	445.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
58.00584	0.3
59.01384	8.4
61.98841	0.3
69.03464	0.4
69.58986	0.7
69.59396	1.0
71.01399	1.5
72.99322	0.3
73.02942	0.5
74.66086	0.3
75.00899	0.3
79.55666	0.3
80.10876	0.3
83.01392	0.4
83.66253	0.3
84.55059	0.2
85.02966	0.5
87.00874	0.4
89.02441	0.9
90.21489	0.2
93.18798	0.3
98.00089	0.3
99.00925	0.5
101.02451	1.0
107.01383	0.3
113.02430	0.8
113.46978	0.3
117.03468	0.3
121.02957	0.3
131.01414	0.6
132.02151	1.8
137.02408	0.3
147.00946	0.3
149.02469	0.4
151.00417	0.7
163.00352	0.4
167.04993	1.0
175.00354	1.5
175.75160	0.3
178.99908	0.6
183.04501	0.5
184.05305	0.8
195.04506	2.2
196.05316	1.3
211.04008	1.3
212.04805	3.2
223.03970	2.9
223.13364	0.3
224.04797	11.4
225.05150	1.0
227.03566	0.6
228.04280	0.5
235.26839	0.3
239.03546	3.8
239.07158	0.4
240.04271	2.6
241.14420	0.4
243.03015	0.7
251.03499	0.9
255.03023	1.5
255.06538	0.3
256.03824	2.1
267.03040	3.7
268.03781	33.5
269.04150	3.2
271.02533	3.4
282.05420	0.7
283.06137	100.0
284.06467	9.1
295.15570	0.5
300.02805	4.6
301.03497	6.4
302.04019	0.5
313.16614	0.4
313.20300	0.5
382.98569	0.3
445.06616	0.8
445.12158	3.5
445.20700	0.9
446.12030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33158	1.1
59.01384	100.0
61.98844	1.9
70.01243	3.0
71.01392	1.9
71.83239	1.3
73.02978	1.3
76.40993	1.1
87.04541	2.0
89.02476	1.2
91.04044	2.9
96.96049	5.1
105.01930	1.5
105.63598	1.0
106.08320	1.4
107.05077	1.2
119.05112	1.1
121.02949	2.9
123.04543	2.5
126.42577	1.2
133.02968	77.2
134.03293	3.0
155.14755	1.1
157.32062	1.0
175.07671	5.5
194.56078	1.1
203.07260	2.1
204.07561	1.6
219.06700	1.1
223.07661	2.0
223.17041	4.2
224.08405	2.7
239.03676	2.4
239.10788	68.3
240.11067	5.1
252.17862	1.1
259.09860	1.7
267.02966	2.3
282.05301	8.5
291.19635	4.1
309.03183	1.2
309.20724	13.2
311.22223	12.8
335.09302	1.2
335.76590	1.1
407.18399	1.7
443.13589	1.1
443.20410	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	444.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	0.5
56.29654	0.5
57.03447	1.0
59.01384	16.8
68.99822	0.8
69.03477	0.8
69.41451	3.7
71.01392	8.6
72.99315	2.7
73.02953	2.5
75.00885	5.9
75.68363	0.5
76.54405	0.6
83.01395	1.2
85.02954	6.5
87.00879	2.6
89.02464	1.9
95.01382	1.9
99.00906	4.4
99.45069	0.5
101.02453	1.3
106.06635	100.0
107.06963	4.0
113.02464	8.1
115.00370	0.8
117.01949	1.3
125.55652	0.5
129.01974	0.7
137.02538	0.6
150.05621	56.7
151.05948	2.7
175.02435	1.0
194.04601	24.5
195.04874	1.1
209.11757	1.2
224.09288	1.4
249.06175	16.4
250.06410	0.7
255.02928	1.5
267.07306	5.0
268.08340	0.6
269.04507	0.7
382.11371	1.3
400.12509	27.9
401.12619	2.6
426.10608	1.0
444.11481	44.2
445.12140	4.2
445.20746	0.9
466.90540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03454	0.3
59.01385	100.0
60.01728	1.5
65.36582	0.3
71.01389	7.2
71.55360	0.3
72.99319	0.4
73.02946	2.6
83.01417	0.7
85.02956	3.4
87.00905	0.3
89.02441	1.3
95.01427	0.4
97.03036	0.3
99.00903	0.9
101.02448	3.7
102.01654	0.2
105.94955	0.2
113.02467	2.9
115.00484	0.4
119.03539	0.8
125.02456	0.5
143.03557	0.3
159.02988	0.4
161.04561	2.9
211.13448	0.7
229.14552	0.4
263.16476	0.4
327.21747	3.8
328.22269	0.3
368.56674	0.3
401.25623	4.0
402.25964	0.4
443.13358	0.4
443.22662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38956	0.3
55.65083	0.3
59.01385	100.0
60.01728	1.1
69.19989	2.8
71.01393	1.4
73.02956	0.7
81.67285	0.3
83.01403	0.4
85.02970	0.7
87.00937	0.3
89.02452	0.6
101.02475	0.7
113.02487	0.8
130.05336	0.3
143.03569	0.3
146.03793	0.9
161.04581	0.8
161.06143	0.7
195.04604	0.6
197.28012	0.3
211.04068	1.0
223.04135	0.6
239.03497	2.5
239.16512	0.3
247.90489	0.3
248.79250	0.3
267.03040	4.0
268.03696	0.5
275.75430	0.3
282.05368	10.3
283.05972	1.3
290.06531	0.3
354.87494	0.4
399.21030	0.3
401.25623	1.0
443.11847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99081	1.5
82.31475	0.6
98.20673	1.3
102.19991	0.5
110.10662	0.5
114.17068	0.5
128.95642	0.5
138.84891	0.5
159.08479	4.8
161.06454	0.9
163.14902	0.6
217.07243	1.3
228.98497	0.5
277.07516	3.0
343.12204	0.9
345.13763	1.5
357.13721	2.3
359.15369	100.0
360.15570	16.5
377.16400	0.8
425.20078	1.6
427.21609	47.3
428.21805	9.6
443.24744	7.3
444.24817	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	443.2078
Annotation	Nigrolineaxanthone P
Peak:m/z	Relative Intensity
55.01892	0.5
55.25653	0.5
60.40173	0.5
70.77147	0.9
70.77480	1.2
77.03979	1.5
95.05017	1.3
99.05936	0.6
105.03476	2.0
107.05008	0.8
111.00894	0.7
121.06591	4.2
122.03754	0.6
135.04559	1.1
136.05305	8.6
151.03957	0.7
154.43443	0.5
162.03214	0.7
169.06546	0.8
171.08163	1.2
173.06032	1.3
175.07646	1.1
183.08168	4.6
202.09987	1.7
209.09738	4.7
213.09224	1.3
225.09193	6.0
226.09747	1.9
227.10791	32.5
228.11154	2.9
237.09183	4.3
238.09875	0.9
239.10695	1.8
259.09726	1.1
265.12427	0.6
275.14359	2.4
282.05356	1.2
293.15485	36.9
294.15790	4.4
311.16492	0.6
381.20486	3.2
399.21884	1.1
407.18579	6.3
408.19064	0.6
425.19705	35.9
426.20114	4.6
443.20755	100.0
444.21078	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	443.208
Annotation	Nigrolineaxanthone P
Peak:m/z	Relative Intensity
55.01882	1.1
57.84641	0.6
59.01383	5.7
61.98837	1.0
67.01900	3.4
67.86364	0.6
69.80028	3.5
77.03983	2.0
82.46033	0.6
85.02961	0.9
98.19950	0.6
101.51357	0.6
105.03471	5.8
107.05040	1.4
113.02461	0.7
121.06605	4.3
122.03751	1.3
125.02489	0.8
135.04514	2.7
136.05313	10.1
148.05278	1.9
151.04053	0.6
157.06459	0.7
161.02403	1.5
171.08136	1.5
173.06049	1.8
183.08170	6.3
183.11862	0.8
189.09247	0.8
191.07164	1.1
202.09959	0.9
205.05045	1.8
209.09714	1.4
213.09232	1.5
223.07588	0.8
225.09271	7.4
226.09892	1.3
227.10797	32.6
228.11070	2.8
233.04762	0.8
234.05170	0.7
237.09174	2.0
239.07100	1.0
239.10780	17.2
240.11185	1.3
251.07207	2.3
252.07819	0.8
253.08702	5.0
263.10876	1.0
267.13669	0.7
269.08224	0.9
271.09808	2.5
275.14432	2.2
281.15610	1.0
286.50195	0.7
293.15475	21.6
294.15747	1.5
295.50543	0.6
303.14069	0.8
305.49667	0.7
349.07141	0.6
363.19781	1.4
381.20511	0.8
389.77472	0.7
399.21774	1.3
407.18591	4.0
408.19202	0.8
411.11295	1.2
425.12833	3.2
425.19702	43.5
426.20010	6.3
432.29706	0.8
443.20758	100.0
444.21017	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	443.2078
Annotation	Nigrolineaxanthone P
Peak:m/z	Relative Intensity
57.03443	1.6
59.01109	1.1
59.01382	13.3
61.90026	0.9
61.98841	1.4
63.32463	0.7
66.82030	0.8
67.01900	1.0
71.01375	3.2
71.05043	0.8
71.54979	0.8
73.02934	1.2
77.03991	4.0
77.10310	0.9
83.01383	1.7
83.05025	1.6
85.02968	1.5
96.96012	2.6
103.49746	0.8
105.03467	12.4
107.05042	1.7
110.49534	0.7
113.02459	1.0
115.05052	0.8
117.68097	0.7
121.02964	1.8
121.06602	3.2
122.03751	2.2
123.04530	0.9
135.04573	5.7
136.05330	11.2
137.05670	0.8
139.00381	2.1
147.04521	1.4
149.02460	1.0
150.03200	1.0
151.00308	1.3
154.02693	1.3
161.02420	2.7
163.00395	1.4
164.04868	0.8
169.06592	0.8
171.08151	2.2
173.06047	2.0
175.03996	1.9
175.07642	1.3
177.09200	1.8
183.08159	10.8
184.08559	1.5
189.09212	0.9
191.03304	0.9
196.31412	0.9
202.09988	1.1
203.07260	1.3
205.05086	2.1
205.08688	4.3
209.09770	3.6
211.11227	1.2
213.09236	1.7
223.07689	0.9
225.09222	9.9
226.09892	2.5
227.05637	1.1
227.10799	39.9
228.11118	3.0
233.04532	1.5
233.08197	1.9
237.09154	1.4
239.10757	5.4
245.08151	1.4
251.07140	6.3
252.07780	1.9
253.08701	11.0
259.09772	1.7
263.10690	1.3
267.19662	13.6
271.09903	1.9
275.14236	1.6
293.15170	15.3
293.18237	1.4
294.15622	1.3
299.26041	1.0
311.18747	13.4
311.22375	2.2
319.13452	0.9
381.20297	1.5
395.07803	1.1
407.18744	4.9
425.12930	4.4
425.19724	96.3
426.20062	13.6
443.20767	100.0
443.30466	2.8
444.21024	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	443.2077
Annotation	Nigrolineaxanthone P
Peak:m/z	Relative Intensity
52.07769	0.5
53.31731	0.6
53.58183	0.5
55.01881	1.0
55.26111	0.6
59.01374	3.9
61.98813	1.0
64.02151	0.7
66.93000	0.6
67.01888	0.7
77.03972	0.6
87.70797	0.6
89.16141	0.6
95.05006	0.9
105.03468	1.7
107.05054	1.3
112.67023	0.6
112.85526	0.6
117.44659	0.5
121.02948	0.6
121.06605	4.9
122.03800	0.7
134.31844	0.7
135.04526	1.7
136.05318	9.7
161.02425	0.6
171.08159	1.6
173.06061	2.2
175.07620	2.1
183.08165	3.0
202.10042	1.1
209.09729	2.5
212.51465	0.5
213.09195	2.4
225.09235	6.6
227.10802	40.3
228.11140	3.1
237.09438	1.4
238.09918	1.1
239.10773	2.5
253.08577	1.3
256.32425	0.6
259.09772	4.4
263.10730	1.1
275.14401	1.8
285.05692	0.7
293.15500	38.1
294.15732	3.7
297.05890	1.4
299.07272	0.8
303.14020	0.9
310.63959	0.6
381.20746	2.7
383.12805	1.3
398.31512	0.6
399.21640	2.1
407.18701	2.7
425.19724	12.0
426.19916	1.6
441.28583	0.7
443.20755	100.0
444.21124	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	443.1925
Annotation	Dendromoniliside C
Peak:m/z	Relative Intensity
57.03458	5.7
59.01386	55.0
60.38696	1.3
61.98842	1.4
67.80910	1.0
68.05241	1.4
68.82917	1.4
69.18974	10.8
71.01386	9.5
73.02945	1.2
75.00868	2.6
83.01408	2.7
83.05023	5.9
85.02969	5.4
87.00887	8.6
89.02462	4.6
93.03451	1.2
95.01401	2.0
95.05042	2.1
96.96014	5.2
97.02982	1.7
98.20751	2.0
99.00919	2.4
101.02451	6.8
103.00349	1.4
107.05057	4.4
109.02985	1.9
109.06625	2.1
111.04556	3.0
113.02451	8.5
117.03495	2.4
117.06607	1.3
119.05019	3.7
121.06588	3.9
123.04495	1.3
123.08171	14.7
124.05265	1.3
125.06138	6.0
131.77115	1.3
134.03746	5.8
135.04565	3.2
139.07698	2.1
145.02980	8.7
145.10260	1.4
146.03722	3.9
151.07639	2.4
153.05603	1.5
153.09212	1.5
159.04367	1.2
161.06129	1.2
163.03998	3.5
164.04738	1.9
169.08665	1.3
169.10188	2.1
171.11783	15.7
172.12178	1.2
175.03986	1.8
179.07152	9.1
189.12935	7.2
193.05083	2.9
193.83145	1.2
201.12830	6.6
207.13995	1.4
219.13890	2.1
237.15002	22.0
238.15266	1.7
249.06067	2.2
267.07230	5.2
281.13956	100.0
282.14398	6.9
295.06699	1.4
295.15723	1.7
305.13998	6.7
323.15042	5.8
353.16122	1.5
443.11340	2.9
443.19476	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	443.1928
Annotation	Dendromoniliside C
Peak:m/z	Relative Intensity
51.19841	1.0
57.03453	6.7
59.01385	53.2
61.98835	1.8
65.03950	1.0
69.61720	6.2
71.01392	10.1
73.02942	2.0
75.00887	3.0
81.03478	1.3
82.03054	1.3
83.01396	1.9
83.05046	4.8
85.02953	6.2
87.00887	9.4
89.02465	4.0
93.03486	1.3
95.01411	1.3
95.05035	1.8
96.96021	3.7
97.06610	2.6
99.00874	1.2
101.02455	7.2
103.40741	1.1
107.05054	3.6
109.02953	1.8
109.06568	1.5
111.04531	2.7
111.08219	1.8
113.02477	8.3
117.03484	3.2
119.03551	1.4
119.05053	3.9
121.06606	3.2
123.04599	1.1
123.08173	12.5
124.05276	1.2
125.06129	5.3
125.06929	1.0
129.56001	0.9
134.03746	3.8
135.04541	1.6
137.06059	1.3
137.09734	2.9
139.07668	2.4
145.02946	12.8
146.03699	3.1
149.02403	1.2
149.06102	1.5
151.07597	2.6
153.05598	3.7
153.09285	1.2
160.01669	1.7
161.04588	1.5
161.06152	1.1
163.04024	4.6
164.04741	1.9
169.08727	1.4
169.10133	1.3
171.11800	14.8
175.03986	1.8
175.11314	1.0
179.07152	8.4
189.12930	6.5
193.05042	2.7
195.05074	1.1
195.18526	1.0
201.12808	5.3
207.13918	3.3
219.13832	1.9
237.07559	0.9
237.14977	20.2
238.15366	1.6
267.07275	4.9
281.13968	100.0
282.14319	8.1
287.98740	1.2
305.13965	6.6
323.14880	3.8
337.81314	1.1
403.73621	1.1
443.11246	2.6
443.15759	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	443.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53490	2.9
57.65839	3.1
59.01374	13.2
61.98814	7.6
67.01886	8.8
69.63245	20.2
84.07562	2.8
91.05547	5.9
92.39848	3.3
96.92934	3.1
96.96010	5.0
98.41315	3.0
99.31335	3.3
107.05021	8.9
121.02989	4.3
135.04550	49.2
138.03291	3.3
154.90793	3.8
173.06055	3.8
175.07643	31.1
176.07941	16.4
176.76848	2.8
177.08194	14.0
191.07083	4.9
210.95465	3.0
213.36533	3.6
223.07605	14.5
235.07668	5.7
237.07640	100.0
238.07892	7.0
245.02618	17.6
259.09937	15.4
263.07004	4.2
267.06851	3.5
285.07587	9.1
297.53311	4.0
311.22253	6.3
327.63345	4.0
331.00278	3.7
345.18475	5.8
375.59625	3.3
384.12122	4.0
385.11996	21.0
385.16269	4.8
407.18762	33.7
408.19278	5.6
443.20316	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	443.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82448	0.8
52.45353	0.8
57.03468	4.1
59.01387	100.0
61.29651	0.8
61.98830	1.7
69.54909	5.4
71.01382	8.6
72.99316	1.8
73.02964	2.5
74.02477	2.3
75.00884	3.7
83.01418	1.3
83.70930	0.8
85.02946	6.1
87.00885	3.6
89.02449	2.6
99.00902	2.1
99.04564	2.6
101.02454	2.5
113.02465	7.8
117.80018	0.9
119.03474	1.1
119.19910	0.8
123.04521	1.6
125.02455	2.3
129.10365	3.4
134.03780	9.5
135.04570	1.8
137.06097	5.6
144.69261	0.8
144.79195	0.9
146.03770	10.2
149.06087	1.5
150.06891	9.0
151.07664	1.5
160.01709	2.0
161.06093	6.2
163.04138	0.8
164.04834	2.6
165.05556	1.8
167.03519	0.9
175.02544	1.1
175.04047	3.6
179.07149	22.0
179.08603	1.6
193.05019	5.2
199.69897	0.9
207.04947	1.0
221.11790	1.6
242.18800	2.3
249.06277	4.8
267.07245	15.7
377.07217	0.9
399.26126	2.8
443.11230	7.5
443.28745	1.2
460.90988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.7
70.22400	0.5
70.22737	2.0
72.99318	8.4
75.00887	3.3
79.05537	0.5
79.57403	0.5
105.01947	100.0
106.02303	2.0
107.05045	6.3
112.52837	0.5
121.03087	0.6
123.00898	16.6
124.01180	0.7
129.07126	0.7
131.08681	1.1
138.03246	33.7
139.03604	1.0
153.05592	11.6
154.06056	0.5
157.06624	10.3
158.06931	0.7
159.04538	1.4
175.07658	52.8
176.08035	2.9
201.05594	16.3
219.06671	1.5
239.10718	0.6
253.28372	0.5
281.07907	0.5
285.07681	0.8
325.07336	0.8
337.10495	0.5
340.09631	2.0
355.11899	54.0
356.12198	5.0
443.19952	3.9
444.21039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89805	0.8
57.03445	3.3
59.01386	100.0
60.01720	1.0
61.98832	2.5
71.01385	8.0
71.54779	1.1
72.99313	1.3
73.02946	2.9
74.02472	4.5
75.00889	4.0
83.01385	1.0
85.02986	4.2
87.00896	1.9
89.02443	2.7
95.01391	1.3
99.00877	2.0
101.02451	2.8
109.02978	0.7
113.02448	5.7
115.51775	0.9
115.96488	0.9
117.03468	0.8
119.05028	0.8
123.04520	1.2
125.02418	1.1
129.10321	3.4
134.03775	7.0
135.04552	1.5
137.06117	7.2
143.03577	0.9
146.03751	10.8
149.06113	1.1
150.06863	3.4
159.04565	0.9
160.01642	2.8
161.04716	1.5
161.06081	6.4
164.04779	2.5
175.02563	1.1
175.04018	2.7
178.06396	0.8
179.07152	20.9
180.07460	0.8
193.04958	4.5
205.19104	1.0
221.11707	0.8
229.40611	0.9
242.18748	2.4
249.06125	3.0
267.07181	11.6
327.08835	1.3
399.26141	6.5
443.11652	7.1
443.19720	1.4
443.28629	1.8
444.11896	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	443.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	22.7
63.36413	0.7
71.02381	1.1
71.02718	0.7
72.01711	0.6
72.99315	8.8
75.00878	3.6
75.80627	0.6
95.01312	0.6
105.01945	100.0
106.02277	0.9
107.05052	7.6
114.08418	0.7
117.87933	0.8
123.00898	17.2
131.08716	0.8
135.04538	1.2
138.03239	32.9
139.03577	0.8
145.13968	0.6
153.05608	12.3
154.05882	0.6
157.06595	9.5
159.04535	1.6
160.05309	0.7
175.07654	55.2
176.07957	3.3
201.05583	14.7
202.05972	0.8
219.06729	1.5
265.53094	0.6
325.07397	0.8
332.37128	0.7
340.09592	1.6
355.11880	50.0
356.12280	5.6
409.63632	1.0
428.33368	0.7
443.20578	2.6
443.26367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1351
Annotation	Rhinacanthin F
Peak:m/z	Relative Intensity
59.01390	6.8
61.98834	1.2
69.71062	3.2
85.02957	0.7
101.02486	0.9
110.00109	0.8
117.03464	1.2
125.02531	0.6
132.02170	0.8
135.04544	1.8
136.01697	3.1
136.05118	0.6
137.18958	0.5
143.05020	0.7
146.03752	8.9
153.01939	3.7
155.05048	1.5
158.03809	0.7
161.06075	7.1
163.07686	0.7
167.05031	2.1
171.04486	0.6
173.06157	0.6
174.03221	4.0
183.04558	4.8
185.06084	0.6
191.07147	8.4
195.04515	4.6
197.86507	0.5
202.02745	11.3
206.02213	3.2
210.03403	1.3
211.04027	8.9
212.04396	0.8
213.05443	0.8
214.27617	0.5
217.05006	0.6
223.04079	3.5
224.04784	0.9
227.10751	1.8
229.08711	2.4
234.01758	5.4
235.01970	0.6
235.06143	0.8
238.02647	0.7
239.03517	27.6
239.10808	1.0
240.03992	1.5
241.05130	0.8
242.05896	1.3
257.08212	62.7
258.08572	5.3
265.05322	0.7
267.03006	37.2
268.03571	4.9
282.05365	100.0
283.05853	12.8
284.06598	0.6
293.15439	0.8
335.99316	0.5
351.80759	0.6
379.08585	0.9
399.14462	0.6
400.09555	0.7
407.18579	1.4
425.12466	48.9
425.18692	1.8
426.12912	6.6
443.11920	4.0
443.20682	7.6
443.30569	0.6
444.21069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1351
Annotation	(1S,2R,7aR,13aR)-2,3,13,13a-Tetrahydro-1,2,7a-trihydroxy-9,10-dimethoxy-3,3-dimethyl-1H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one
Peak:m/z	Relative Intensity
57.03448	2.2
59.01384	80.7
61.98827	2.7
62.90722	1.1
65.00318	2.6
67.01902	3.0
68.99817	2.4
71.01405	6.5
71.55170	1.5
73.02939	2.1
73.51607	1.1
81.03468	1.6
83.01403	2.7
83.05047	1.5
85.02963	3.1
89.02467	1.8
91.01889	2.5
93.03469	3.0
95.01386	7.6
95.05046	2.3
99.00901	1.4
101.02449	2.8
105.03465	3.2
107.05023	1.9
108.02206	1.9
109.02987	2.7
111.00854	1.8
113.02464	2.7
115.05536	4.6
121.02976	7.8
121.06566	1.7
123.00901	58.8
123.04523	2.2
124.01713	6.6
125.02425	2.4
130.04236	4.3
131.05032	2.6
133.02959	2.7
135.00928	2.8
135.04521	2.7
137.02446	6.9
138.03238	41.4
139.00406	11.6
139.03561	1.5
143.05011	2.8
147.04442	1.5
149.02463	29.4
149.06120	2.1
150.03081	1.9
151.00366	4.0
152.01187	8.8
153.01909	2.3
153.05574	8.5
154.02686	4.0
158.03775	7.7
159.04539	29.7
160.04898	2.2
160.84239	2.1
161.02446	22.7
162.03079	1.4
162.06932	1.3
162.83913	2.0
163.00380	26.6
163.03995	3.5
164.01054	4.6
164.04753	1.2
165.01894	4.4
165.05545	2.4
166.99860	27.1
169.05106	1.3
172.05324	1.4
175.03969	2.7
175.07669	1.6
176.04745	4.4
177.01912	3.1
177.05550	3.3
178.99857	4.8
179.07054	1.5
180.00612	1.6
181.01357	1.9
182.02231	36.0
183.02591	1.6
183.08208	1.5
187.04022	45.4
188.04697	6.0
189.05545	1.9
189.99080	5.7
191.03494	2.0
193.12283	1.6
197.04587	30.2
197.06422	1.7
203.03476	2.7
205.05057	12.4
207.06636	33.2
207.15128	1.2
208.07043	2.0
211.07692	1.7
213.09280	1.4
214.06392	1.7
215.03525	2.0
215.07172	1.7
216.04259	3.6
217.05042	5.2
218.05565	1.1
219.03072	1.2
219.06631	1.7
225.09177	2.2
227.03514	2.0
229.08693	11.9
233.04544	9.2
235.06073	5.3
237.09245	2.5
239.10881	6.4
240.11162	1.6
249.12849	2.7
265.05124	1.5
267.13916	5.2
273.07724	2.9
283.06082	4.8
293.11960	2.2
293.15390	4.4
295.15518	2.2
298.08566	1.8
311.05548	3.2
311.22278	3.5
323.02100	3.2
326.07965	2.8
337.03641	2.5
341.02942	2.8
341.10245	3.4
356.05405	2.4
367.08255	3.0
371.07678	12.4
377.06726	3.6
381.09149	1.7
395.07724	11.4
407.19025	1.5
410.10156	2.7
425.12402	55.1
425.19586	25.1
426.12698	7.9
426.20041	2.7
443.13446	100.0
443.20560	43.3
444.13858	15.2
444.20883	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	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60753	1.1
55.01891	1.9
57.03447	3.8
59.01387	29.3
68.99815	1.4
69.03454	2.2
69.53159	5.9
71.01389	29.9
72.99316	6.5
73.02954	1.5
75.00883	19.1
83.01407	1.0
84.64295	0.9
85.02959	27.8
86.03316	1.0
87.00890	11.5
89.02454	8.0
89.03990	2.0
91.04055	1.5
95.01418	6.6
95.50816	0.8
96.56746	0.9
99.00883	13.4
101.02505	1.3
103.00383	3.0
111.00905	1.4
113.02464	35.8
115.00352	2.9
117.01949	3.5
117.03465	7.9
129.01947	1.7
131.03519	1.0
132.02176	1.2
133.02943	2.8
134.03760	84.3
135.04135	3.5
149.06097	7.6
157.01424	1.2
160.01646	8.2
161.02435	3.1
175.02505	2.7
175.04028	9.7
178.02493	1.2
179.03581	2.2
181.71098	0.9
193.05074	45.6
194.05420	2.9
207.05026	1.2
231.05127	2.2
249.06177	33.9
250.06581	2.1
252.06378	1.3
253.07097	1.3
267.07175	100.0
268.07516	6.4
299.55453	1.0
312.90244	1.1
411.09680	1.1
425.11047	4.0
443.11960	72.3
444.12354	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	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03447	4.3
59.01386	30.1
67.01885	1.4
68.99812	2.4
69.03466	2.1
69.46663	7.2
71.01010	1.8
71.01389	27.1
72.99314	6.4
73.02940	1.8
75.00875	21.2
83.01396	1.3
85.02962	30.7
87.00888	13.6
89.02448	9.1
89.03993	1.6
93.03458	1.2
95.01402	7.3
97.65074	1.0
99.00893	15.3
101.02431	1.4
103.00388	4.1
111.00870	1.8
113.02467	42.8
114.02747	1.5
115.00339	2.5
117.01899	3.5
117.03461	8.2
129.01938	2.8
130.99896	1.3
131.03506	1.5
132.02194	2.6
133.02982	3.0
134.03758	88.6
135.04335	3.6
145.02956	3.6
149.06082	8.8
154.75845	1.1
157.01419	1.8
160.01682	6.3
161.02483	5.7
173.76910	0.9
175.02486	3.4
175.04004	9.0
179.03540	1.5
193.05069	50.9
194.05368	2.4
207.05054	2.1
231.05107	2.6
249.06165	35.4
250.06413	1.8
252.06387	2.8
253.07164	2.1
267.07172	100.0
268.07617	4.3
343.67545	1.4
411.09341	1.2
425.10941	4.0
443.11920	73.0
444.12424	7.7
448.73880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01322	0.2
59.01372	0.8
60.95107	0.2
62.61757	0.2
69.48640	0.5
69.49038	1.3
96.96032	0.3
108.41473	0.2
117.03471	1.1
123.04498	0.3
131.05031	0.3
132.02180	0.8
139.70570	0.2
141.03458	0.3
143.05025	0.5
146.03752	6.9
147.00897	0.4
147.04106	0.4
150.57567	0.2
155.05011	1.3
157.41600	0.2
161.06087	6.9
162.06444	0.3
167.05046	1.5
175.07642	0.7
182.03716	0.5
183.04523	3.6
185.02803	0.2
191.07001	0.3
195.04521	5.8
196.04958	0.4
197.02298	0.3
210.03200	0.9
211.04005	10.1
212.04446	0.8
223.04025	4.4
224.04706	0.8
237.09210	0.6
238.02618	0.7
239.03499	29.0
240.03860	2.5
250.02672	0.5
258.66187	0.2
259.09631	1.2
266.02243	0.3
267.02994	38.3
268.03494	4.7
282.05344	100.0
283.05807	13.2
284.06412	0.4
307.06308	0.4
400.09579	0.4
415.11807	0.5
442.19287	0.2
443.11423	3.1
443.19946	0.6
444.11649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13778	0.8
59.01387	8.6
61.98834	1.3
67.01874	0.9
71.01396	1.6
71.55032	1.3
74.02444	0.6
74.13153	0.7
83.05029	0.8
85.02946	0.8
90.33511	0.8
91.82551	0.7
107.05080	0.9
113.02438	0.9
115.00352	0.7
117.03474	1.2
121.06181	0.6
132.02167	1.3
135.04521	6.2
136.01677	8.0
136.04884	3.3
145.02994	0.8
146.03741	11.5
148.01582	0.9
153.01950	4.8
155.05037	1.3
158.03754	1.1
161.06120	5.9
163.07683	2.0
171.04526	0.8
173.06142	1.3
174.03206	4.5
175.07660	1.3
182.03757	0.8
183.04466	4.2
191.07144	28.0
192.07545	1.8
195.04498	5.4
197.06042	0.7
201.80270	0.8
202.02715	14.1
206.02238	3.1
211.04001	8.2
212.67068	0.7
214.06424	1.0
217.04959	1.1
219.06671	0.9
223.03981	3.7
224.04755	1.1
227.10806	2.9
229.08739	3.0
234.01688	8.0
239.03513	25.3
239.10786	2.0
240.03917	3.0
241.05019	1.2
242.05913	1.8
257.08203	74.2
258.08502	5.9
267.02994	35.6
268.03516	4.8
282.05353	100.0
283.05841	12.7
284.06363	0.8
296.96255	0.9
306.14182	1.4
307.14597	1.1
309.21100	1.0
407.18338	1.5
425.12476	53.8
425.19266	4.2
426.12781	7.8
443.11954	3.5
443.20456	11.7
444.20959	0.8
457.49164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2499
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
57.03454	0.5
59.01386	100.0
60.01716	0.9
61.98849	0.4
68.76717	0.3
71.01393	2.6
73.02966	1.1
80.22676	0.3
83.01389	0.4
83.71453	0.4
85.02982	1.3
89.02435	0.7
98.85602	0.4
99.35677	0.3
101.02477	2.3
106.57001	0.4
113.02496	1.3
161.04550	0.9
237.09314	1.3
281.08365	0.8
399.24011	1.3
441.12848	0.4
441.19696	1.5
448.78436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3741
Annotation	Cerin
Peak:m/z	Relative Intensity
70.02973	0.7
70.03306	2.7
83.78629	0.7
97.25066	0.7
98.20706	0.8
100.83516	0.6
105.47131	0.6
140.03664	0.6
159.96043	0.6
167.32274	0.6
254.37709	0.7
340.31873	0.6
441.20447	2.7
441.37393	100.0
442.37701	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	442.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41614	1.2
59.01371	4.8
66.34180	1.2
69.39204	6.7
69.39621	2.8
71.01391	6.8
83.05033	5.4
85.02941	2.0
89.02429	4.5
98.19910	1.6
98.63434	1.2
101.02453	3.1
109.01750	1.4
111.06886	2.2
111.65955	1.2
113.02477	2.2
119.03496	1.9
126.09260	26.4
128.10832	1.9
130.08746	7.5
144.06706	2.3
149.04601	2.2
156.96375	1.3
161.04553	3.0
174.09882	1.4
174.11366	28.1
204.12424	100.0
205.12729	3.7
267.10898	3.9
267.74756	1.3
442.15402	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42512	0.5
57.03460	0.8
59.01385	100.0
60.01719	1.2
61.98831	1.1
69.03452	0.4
70.02573	1.0
71.01385	8.3
72.99322	0.6
73.02967	3.0
75.00902	0.5
83.01405	0.9
84.78953	0.4
85.02959	4.1
87.00894	0.5
89.02448	2.8
91.01882	0.5
94.21661	0.4
95.01399	0.4
96.96013	4.5
98.19997	0.6
98.61897	0.4
99.00893	0.9
101.02454	4.5
104.56821	0.3
107.12676	0.4
111.71967	0.4
113.02454	2.8
119.03522	0.7
125.02507	0.6
135.00937	1.0
148.10245	0.4
151.24915	0.4
161.04596	2.3
164.34392	0.4
175.02553	0.4
179.05690	0.5
210.56226	0.4
237.09270	0.5
237.11446	0.5
276.10233	0.4
312.06409	0.4
321.92651	0.4
327.08878	1.0
335.15103	0.5
383.07809	0.9
399.24008	3.6
441.12268	1.1
441.20343	0.6
458.27325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2285
Annotation	Docosyltrichlorosilane
Peak:m/z	Relative Intensity
50.66280	0.4
57.03449	0.6
67.01858	0.5
68.23371	0.4
70.08894	0.5
71.31526	1.1
86.35184	0.4
87.04522	7.3
97.06588	1.3
107.05011	2.1
108.02208	0.6
121.02914	0.8
122.03767	0.5
123.08176	0.5
125.09009	0.5
126.35398	0.4
134.03757	1.2
135.04538	3.2
141.09241	0.4
148.05334	0.5
149.02414	1.0
149.06119	2.7
161.02490	1.2
163.00430	0.8
175.07669	0.7
177.05702	0.5
201.05748	0.5
212.08379	0.5
219.06725	1.4
225.09216	50.6
226.09750	5.5
227.10617	0.9
237.09235	4.3
238.09766	0.6
239.10757	6.6
240.11302	0.6
241.12402	1.2
265.12299	0.7
272.10583	1.8
279.13956	2.3
281.08194	2.9
281.15576	0.6
299.09277	1.0
309.18604	24.8
310.10809	0.5
310.19095	2.0
321.18610	5.5
334.12082	0.7
339.19586	2.1
361.21890	1.2
379.22845	2.3
380.23206	0.5
381.20938	0.7
395.22449	0.7
397.23859	9.4
398.24152	1.4
405.17181	2.0
423.17795	2.3
441.22891	100.0
442.23233	16.2
452.39999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98222	0.3
59.01383	0.7
67.71127	0.3
68.25341	0.3
69.20778	1.4
69.21214	1.8
80.02686	1.3
86.82408	0.3
96.96014	1.4
108.02186	36.9
109.02527	0.8
123.04542	23.3
124.04868	0.9
129.04857	0.3
150.03221	0.6
152.01167	2.5
157.36798	0.4
165.05569	0.5
167.03511	100.0
167.61273	0.3
168.03838	4.2
376.69177	0.4
385.23877	0.6
413.23325	0.9
441.25839	3.3
442.26193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2285
Annotation	Docosyltrichlorosilane
Peak:m/z	Relative Intensity
57.03459	0.7
59.01370	2.1
69.86375	2.8
71.01385	2.5
71.05017	1.0
87.04514	2.3
94.07792	0.5
107.05037	10.2
108.02157	0.7
109.02930	0.9
116.01952	0.5
118.97000	0.8
122.03791	1.4
123.04594	0.8
129.32346	0.6
134.03711	0.6
135.04535	34.2
136.04851	1.4
143.01573	0.6
147.04530	0.9
149.02452	0.6
149.06070	0.8
151.04008	1.2
177.01877	0.7
182.66920	0.6
225.09215	8.0
226.10001	41.8
227.10329	3.3
237.09184	5.3
238.09920	1.5
239.10913	0.7
241.12358	58.7
242.12730	6.2
253.12239	0.9
309.18530	0.9
352.94260	0.6
361.21820	2.3
361.23877	1.9
379.22791	5.1
397.23734	2.6
398.24136	0.9
441.22809	100.0
441.36975	2.5
442.23166	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	441.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80083	0.2
70.77570	0.5
80.02702	1.3
98.56750	0.2
108.02187	37.2
109.02496	1.4
123.04540	22.2
124.04870	0.7
152.01166	2.2
167.03513	100.0
168.03841	4.0
183.18878	0.3
340.68320	0.3
413.20767	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.3
80.02694	1.6
87.00912	0.2
87.46368	0.1
94.29675	0.2
95.39228	0.1
101.66514	0.2
108.02186	37.2
109.02517	1.1
115.60843	0.2
123.04539	24.3
124.04870	0.6
126.24603	0.2
152.01164	2.5
155.53284	0.2
167.03513	100.0
168.03848	4.1
225.09262	0.2
268.15820	0.2
291.19565	0.2
295.17111	0.3
296.88077	0.2
339.16064	0.5
382.80145	0.2
383.22159	0.2
423.07773	0.2
440.53323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12544	0.3
70.77267	0.3
70.77588	0.5
77.27039	0.3
80.02704	1.3
82.91296	0.3
88.37267	0.2
97.88612	0.3
99.33981	0.3
108.02186	38.2
109.02506	1.1
123.04540	24.2
124.04841	0.7
134.32785	0.3
143.81116	0.3
152.01189	2.6
167.03511	100.0
168.03847	4.6
216.50739	0.3
252.73016	0.3
291.19647	0.7
425.53757	0.3
441.36649	0.3
453.17834	0.3
453.24167	0.3
468.43750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1925
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
57.03452	0.7
59.01375	1.7
60.19619	0.6
60.65432	0.7
61.98842	0.6
64.05286	0.6
65.00319	2.2
68.99828	0.7
69.34138	1.7
69.34560	3.2
71.04998	1.2
73.64304	0.6
77.03958	0.9
78.24139	0.7
79.01897	2.2
81.03458	1.4
83.01403	0.9
83.05025	0.8
85.02959	0.7
87.04528	1.5
95.05010	0.7
97.02940	1.0
97.06593	3.7
107.05007	1.2
108.02184	1.6
109.02943	1.2
119.04998	0.8
121.02981	3.2
122.03776	1.4
123.04528	0.9
123.08169	1.2
135.00865	0.7
135.04518	2.7
136.01653	2.0
136.04932	0.6
137.02461	1.0
137.61238	0.7
141.09160	0.8
145.06572	1.7
146.03784	0.7
149.02396	0.9
150.03262	4.4
151.03986	2.2
159.08148	0.8
161.02489	2.8
162.03163	0.7
163.00323	1.6
164.01141	1.1
165.01933	2.3
165.05554	2.8
167.03444	1.4
169.06602	1.0
171.04482	1.9
173.06129	0.6
175.07610	0.7
177.01907	1.4
177.05649	0.8
183.08125	1.3
187.03986	0.8
187.07597	1.5
191.03532	0.9
191.07127	0.8
199.07680	1.2
201.05441	1.1
209.09703	1.0
217.00182	0.8
217.04915	0.9
219.06625	2.1
225.09224	4.5
226.09950	1.7
227.07104	2.3
227.12840	1.0
231.06544	0.6
237.09230	1.4
241.12210	1.2
242.12730	0.7
253.08607	1.0
267.06558	0.8
269.08200	10.8
269.13983	0.8
270.08646	1.4
279.06610	0.9
281.08231	11.7
282.08453	1.1
299.09167	3.8
305.13010	0.7
319.11752	0.7
334.12247	0.7
335.12848	2.1
355.15585	1.2
389.13641	0.7
397.23993	1.2
405.16882	1.1
406.32449	0.7
409.16104	0.6
413.23239	1.3
423.18069	10.6
424.18240	1.4
439.17856	1.0
441.19089	100.0
441.26038	3.8
441.37106	2.0
442.19446	14.5
442.26093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84085	0.6
57.03471	0.7
59.01397	0.8
59.95631	0.6
61.45200	0.6
65.00372	0.9
67.01897	3.7
69.52407	4.3
91.05569	0.7
93.03516	0.6
108.02235	2.1
109.02962	0.8
111.59292	0.5
119.05104	2.0
122.03786	1.6
132.02248	1.9
133.02960	0.7
134.03766	0.6
135.00905	1.2
135.04591	1.4
137.02473	1.4
146.03745	4.4
148.01743	1.8
148.05347	1.0
149.02443	0.6
153.02003	1.4
160.01741	0.7
161.02455	19.0
162.02859	0.8
163.00423	0.9
163.04068	2.3
169.10175	0.6
175.04103	0.9
175.07700	1.2
177.01947	1.2
179.03583	2.6
183.00638	0.6
183.08179	0.7
189.05624	0.9
197.09689	0.6
213.09222	2.4
215.07051	1.3
219.06616	2.3
223.02559	0.7
225.09135	4.1
226.09860	0.6
227.10791	2.1
229.89464	0.6
231.63791	0.7
237.09218	72.7
238.09540	5.3
239.10789	12.0
240.11115	1.3
243.06638	2.7
244.07104	0.6
255.10310	1.5
261.57086	0.6
269.08182	3.1
281.08209	100.0
282.08572	8.8
297.07697	12.5
313.18076	1.0
314.08029	1.5
315.08746	0.9
325.10724	1.3
325.64371	0.6
345.22675	0.6
357.16919	2.3
379.19025	0.9
394.23120	0.8
397.20197	3.5
409.15451	1.8
423.17865	2.7
441.18970	22.8
442.19321	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	441.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
69.43897	6.3
70.57947	0.8
79.05524	0.8
83.05036	12.4
93.76637	0.8
97.06552	1.2
104.16338	0.9
107.04992	3.2
109.02985	1.6
116.75687	0.9
120.41156	0.9
121.06602	3.8
122.03757	4.2
133.72925	0.8
134.03703	2.6
135.04538	8.4
136.01669	5.4
136.05235	2.8
137.02444	1.8
138.06870	1.5
149.02383	1.3
149.06049	1.1
151.03545	0.7
157.38593	0.8
161.02467	8.7
162.03070	0.8
171.08139	2.5
173.06004	1.1
174.03175	2.5
175.04042	1.2
176.35222	0.7
180.00652	9.4
181.01404	1.0
181.10202	2.8
187.03979	1.5
213.07234	1.3
213.09242	23.9
214.09555	1.9
217.00323	0.8
223.07796	1.0
225.09241	31.0
226.09843	6.4
227.10815	9.3
228.10942	1.1
237.09135	1.9
239.10733	2.8
241.08769	5.1
243.10207	1.3
251.07269	0.9
251.10492	1.1
252.07932	6.5
253.08549	3.3
255.10193	2.4
263.10678	4.6
265.06030	1.1
265.08704	16.3
266.09222	1.9
267.06592	1.3
269.08194	11.7
270.08942	8.3
279.06412	1.0
279.10223	2.7
279.13654	1.7
281.08118	4.1
281.11545	1.9
285.07571	1.8
297.07782	1.5
297.11060	1.7
302.07983	4.6
303.13925	1.3
305.15240	0.9
307.10031	1.7
307.13419	25.4
308.10355	1.0
308.13696	2.4
309.11246	1.5
321.14951	1.0
336.12213	21.8
337.12485	3.8
379.19168	1.4
391.15503	5.9
392.15860	1.0
397.20105	2.2
409.16583	100.0
410.16895	15.1
423.17838	3.5
441.18954	42.2
442.19424	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1922
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
67.01865	1.1
68.99803	1.0
70.77079	1.2
70.77415	2.0
73.87780	1.0
77.92139	1.1
83.01369	1.0
83.04988	1.2
93.03467	1.7
94.11276	0.9
105.03431	0.9
107.05018	2.3
116.28454	1.0
116.31881	0.9
119.05023	1.7
134.03607	0.9
135.04494	3.8
136.01588	1.1
137.06129	1.3
138.89233	1.0
145.06541	1.7
157.06470	1.1
161.02469	20.1
163.00273	1.2
165.02072	1.0
169.06642	1.1
171.08116	2.2
175.07675	1.3
177.02014	1.0
186.06795	1.6
187.07587	1.5
189.01918	6.3
189.05527	1.1
199.07648	13.7
200.08189	2.7
213.09180	1.5
215.07062	2.0
225.09262	5.0
226.09840	3.3
227.10628	2.2
235.07562	1.4
237.09239	13.8
239.07076	3.6
239.10747	2.3
242.12675	1.1
243.06520	3.6
251.07094	2.3
252.07858	4.7
253.08580	2.8
269.08151	2.7
270.08975	1.5
277.12418	1.3
280.07364	1.3
281.05408	1.4
281.08231	20.2
281.15256	1.5
282.08484	2.2
289.12088	1.7
290.12894	4.1
291.13931	6.5
297.07556	1.9
309.14725	1.4
321.11130	1.0
333.76208	1.0
334.12140	27.3
335.12384	4.3
361.17908	2.6
365.14188	1.1
379.19012	4.1
397.19940	2.6
405.17090	67.6
406.17474	8.5
423.18137	100.0
424.18521	14.9
441.18985	44.6
442.19440	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	441.1898
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
62.87130	18.8
67.23775	16.8
69.97107	94.4
75.52116	18.4
98.20587	29.4
109.44173	20.1
126.03010	17.5
144.27530	21.3
220.46030	19.8
441.18793	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	441.1923
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
57.03452	0.8
59.01381	2.6
61.98822	0.6
65.00330	5.6
68.99836	0.6
70.53503	0.8
70.53890	1.0
83.01397	1.0
83.05048	0.8
84.36006	0.4
85.89832	0.5
87.04520	1.6
93.03471	4.4
97.06551	0.7
107.05029	1.1
108.02145	0.6
119.05038	34.7
120.05380	1.3
121.02942	0.9
122.03698	0.6
123.08183	0.5
134.03767	0.6
135.04544	1.0
136.01692	2.6
137.02493	0.7
138.98662	0.5
139.00354	1.5
145.02966	0.7
145.06682	0.5
149.99638	0.7
150.03185	0.9
151.00313	0.7
154.02708	1.2
161.02429	0.8
163.00430	0.8
164.01155	1.8
165.01942	0.7
173.06175	0.6
175.07674	1.6
176.01157	2.7
177.01950	1.5
178.02779	1.0
185.06114	0.6
189.02066	0.5
193.08600	0.5
203.07220	2.3
213.09009	0.6
225.09247	0.7
227.07195	0.8
227.10799	0.8
235.13457	2.4
237.09299	1.2
237.77994	0.5
253.14464	1.9
269.08252	1.8
277.14551	2.7
279.13922	0.8
281.08170	0.9
291.19608	1.0
295.15704	0.7
303.12469	1.1
309.20728	2.7
321.13440	22.4
322.13776	2.0
323.12738	2.3
335.15103	6.6
341.14035	1.7
347.15106	1.5
397.20303	1.6
399.23837	0.6
423.18146	2.2
441.19211	100.0
442.19504	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	441.1899
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
54.67382	15.9
59.01385	48.7
61.98834	19.9
69.76682	98.6
71.01392	28.5
72.01887	16.2
89.02448	30.3
96.95992	30.4
98.20552	32.4
101.02472	22.6
119.05033	25.4
123.04415	19.3
132.81807	16.5
154.34177	17.6
163.04073	37.9
184.41304	15.7
184.95473	18.8
236.39619	17.7
286.69562	16.7
441.19180	100.0
442.19031	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	441.1195
Annotation	Villol
Peak:m/z	Relative Intensity
58.97545	0.5
59.01385	24.3
59.01659	1.0
69.44382	3.3
69.44794	1.0
71.01338	1.7
73.02907	1.9
81.03415	0.6
85.02956	1.3
89.02431	1.1
89.03958	0.8
96.95985	0.7
101.02415	1.4
109.02925	1.4
117.07106	0.6
121.02937	0.6
123.00854	0.6
123.04488	0.6
130.04247	2.7
133.02959	3.6
136.01575	0.5
137.02438	0.9
143.05038	2.7
145.02899	2.3
145.06615	6.5
149.02446	3.6
151.00348	0.6
157.13316	0.6
158.99750	0.5
159.04562	0.6
161.02513	3.4
161.06041	2.1
163.03995	0.8
163.07690	1.4
165.01891	1.8
171.04391	0.9
174.03279	0.7
175.03935	0.7
176.01135	1.1
177.01945	13.9
177.05507	1.6
177.99057	0.7
178.02423	0.9
187.03998	3.1
188.04829	3.3
189.05574	41.9
190.05931	2.2
191.03528	4.0
192.00751	0.5
192.04251	2.2
193.01358	2.5
193.04947	0.8
207.06673	5.2
208.03737	0.9
215.07149	0.9
219.14043	0.6
220.03876	0.5
223.06137	1.1
231.06516	0.9
251.10793	0.6
291.19916	0.6
301.65369	0.6
309.20428	0.6
323.09152	1.7
335.05576	1.0
339.08823	1.2
349.07132	0.8
353.10300	1.6
364.09491	1.1
365.10306	1.6
367.08267	16.5
368.08560	2.2
381.09814	2.7
382.10602	9.4
383.11014	1.0
393.47922	0.7
397.12930	100.0
398.13254	11.3
405.21185	0.6
441.11938	39.3
441.21539	1.5
442.12265	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	441.1197
Annotation	Sanguinolignan C
Peak:m/z	Relative Intensity
55.01865	0.2
57.03455	0.3
59.01385	27.3
62.21354	0.2
65.00330	27.7
65.03967	0.5
66.00666	0.7
67.01888	1.3
68.99831	1.8
69.03455	0.4
71.01389	1.5
71.55120	0.3
73.02948	0.8
73.57291	0.2
75.09761	0.2
77.03996	0.3
79.05540	2.9
81.03481	0.2
83.01386	1.1
85.02956	0.5
89.02448	0.8
89.03995	1.2
91.05561	0.3
93.03484	1.2
95.01418	0.2
95.05036	7.6
97.06611	0.5
101.02465	1.1
103.05556	1.5
104.02689	0.4
106.04257	0.4
107.05063	0.3
108.02189	1.4
109.02941	0.7
111.00890	3.7
113.02465	1.0
115.05543	1.1
117.03455	0.5
119.05040	6.8
120.05473	0.3
121.02971	0.9
121.06604	2.3
122.03727	0.6
123.00940	0.3
123.04543	4.1
124.01681	0.5
127.05560	0.4
130.04259	0.3
131.05052	0.4
132.02213	0.5
133.02977	4.3
133.06575	0.4
135.00902	0.4
135.04538	1.9
137.02441	0.6
137.06107	2.6
139.07669	0.7
143.05016	1.3
144.71490	0.2
145.02953	1.6
145.06638	0.8
146.03741	0.9
147.04536	4.7
148.01648	0.7
149.02432	0.7
149.99591	0.8
150.03181	0.5
151.03978	0.2
159.04544	1.7
161.02460	0.8
161.04756	0.4
161.06087	2.8
162.03207	0.3
163.00443	0.3
163.04012	2.1
165.01924	0.5
165.05582	9.3
166.05910	0.3
171.04532	1.7
173.02429	0.2
174.03224	0.8
175.00435	0.6
175.03984	0.3
176.01151	1.5
177.01945	1.0
177.05544	0.4
178.02689	0.5
184.13089	0.2
187.04015	0.9
189.05589	10.1
190.02840	0.5
190.05934	0.7
191.03508	0.9
192.04298	0.9
193.01492	0.5
201.01895	0.3
202.99864	0.2
203.03488	1.4
204.04219	0.3
205.05101	0.6
207.06618	2.9
214.95615	0.3
215.03525	0.6
218.02219	0.5
220.05283	0.3
223.07700	0.3
225.09283	0.3
231.02972	0.4
231.19228	0.2
233.04558	100.0
234.04900	7.0
235.06065	0.4
241.08649	0.3
249.05707	0.3
251.05667	0.5
261.71924	0.2
281.04785	0.2
285.07678	0.6
293.04419	0.2
295.06125	0.4
305.13788	0.2
307.06094	0.4
309.04208	0.3
309.20782	0.6
311.02100	0.3
312.06427	0.3
313.07315	0.4
327.08597	0.3
335.15121	0.4
339.04904	0.2
340.06006	0.7
351.05301	0.2
355.08234	0.5
365.06589	0.4
382.06927	1.2
383.07739	6.8
384.08066	0.6
393.06311	0.4
395.11142	0.2
397.09116	2.3
398.10046	2.3
423.10892	1.5
423.18002	0.4
441.11996	19.5
441.18973	3.3
442.12329	2.7
442.18698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.1
68.25565	0.3
71.54139	0.6
75.00884	1.3
79.05531	2.3
97.06604	0.3
97.23124	0.4
107.04305	0.9
107.05044	17.2
108.05379	0.4
109.02998	0.5
121.02984	0.6
123.00893	4.5
123.04533	2.9
131.08609	1.7
133.06631	1.0
135.04536	1.6
137.36169	0.3
138.03249	9.2
138.75410	0.3
139.03549	0.5
145.06680	0.3
148.01671	0.6
151.00299	0.4
153.05588	7.9
156.89099	0.4
157.06586	3.9
159.04506	2.9
160.05295	1.6
161.02499	1.7
163.04036	0.4
165.01967	0.4
166.02812	0.4
173.06059	0.6
175.07655	100.0
176.08003	5.4
181.05106	0.5
190.06363	0.4
193.01352	0.8
201.05577	4.9
213.09212	0.6
214.75969	0.3
217.00211	0.5
219.06508	0.9
223.07817	0.4
225.09254	2.2
226.09975	0.4
227.10672	0.4
229.05051	1.5
243.13914	0.7
253.08553	0.7
269.08224	1.1
270.08929	1.2
270.88278	0.4
301.14508	0.8
302.07751	0.5
319.15567	3.8
321.07611	0.4
333.11557	0.5
349.07178	1.0
364.09647	0.5
379.11905	1.2
383.11374	42.5
384.11642	5.2
390.86816	0.3
391.15634	2.2
392.15924	0.7
405.17059	0.6
409.16675	2.7
423.18399	1.7
441.11792	1.2
441.19202	5.8
442.12094	0.5
442.19257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87990	4.6
57.03448	14.7
58.00585	5.8
59.01390	100.0
61.98833	37.8
69.03452	4.8
70.62034	5.5
71.01389	74.2
71.53591	8.3
72.99312	6.2
73.02959	12.4
73.44566	5.4
75.00836	9.4
83.01426	7.3
85.02955	24.5
87.00886	14.5
89.02455	80.8
89.25334	6.2
95.01410	6.0
96.96027	21.9
98.95598	15.1
99.00885	13.9
99.04530	9.1
101.02473	56.3
113.02488	28.2
117.69526	6.7
119.03553	26.6
119.05048	12.5
122.02480	10.3
125.02495	8.8
129.05560	6.8
131.03513	10.4
133.41779	6.7
137.02463	11.5
143.03625	6.3
147.06679	10.0
149.02499	7.3
149.04572	19.0
158.55647	7.1
161.04614	17.4
163.04048	12.5
169.26921	5.7
177.01945	24.1
179.05576	34.3
188.73944	4.7
191.05583	8.4
192.04276	17.3
195.06688	10.9
197.88626	4.6
207.06606	7.7
219.02707	5.9
225.07686	7.6
279.10971	8.9
297.11887	16.9
387.13040	21.4
405.14185	5.9
441.11221	8.9
441.16263	84.3
441.50803	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	440.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.1
61.98836	6.0
69.25596	7.7
81.88514	1.0
96.85942	0.8
98.56010	1.0
106.04242	2.3
106.13516	0.8
107.05051	1.4
108.02174	2.5
109.02967	1.3
120.06569	1.3
121.02984	1.0
123.04559	1.2
124.01708	1.3
131.81232	0.8
134.03749	1.6
135.04546	12.2
147.86267	0.9
149.02422	3.0
149.06082	10.8
150.03230	0.9
151.04005	2.6
165.05595	1.3
165.59393	1.0
167.03499	1.1
169.85039	1.0
175.04074	1.0
177.05627	1.6
182.15959	0.9
190.09970	3.0
205.09157	1.3
205.12361	35.3
206.12711	1.2
206.66864	1.0
222.09085	1.3
225.09254	1.4
226.09787	1.8
241.08711	4.3
241.12413	1.4
253.08759	2.2
262.15317	1.5
300.64395	1.0
308.17166	1.4
311.16547	22.1
312.16824	3.8
355.15530	100.0
356.15860	12.0
384.07208	1.3
385.23727	1.5
422.16910	3.6
440.13226	5.5
440.21545	3.7
440.72058	1.4
441.22760	3.3
455.88046	1.1
464.04846	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	440.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.1
61.98836	6.0
69.25596	7.7
81.88514	1.0
96.85942	0.8
98.56010	1.0
106.04242	2.3
106.13516	0.8
107.05051	1.4
108.02174	2.5
109.02967	1.3
120.06569	1.3
121.02984	1.0
123.04559	1.2
124.01708	1.3
131.81232	0.8
134.03749	1.6
135.04546	12.2
147.86267	0.9
149.02422	3.0
149.06082	10.8
150.03230	0.9
151.04005	2.6
165.05595	1.3
165.59393	1.0
167.03499	1.1
169.85039	1.0
175.04074	1.0
177.05627	1.6
182.15959	0.9
190.09970	3.0
205.09157	1.3
205.12361	35.3
206.12711	1.2
206.66864	1.0
222.09085	1.3
225.09254	1.4
226.09787	1.8
241.08711	4.3
241.12413	1.4
253.08759	2.2
262.15317	1.5
300.64395	1.0
308.17166	1.4
311.16547	22.1
312.16824	3.8
355.15530	100.0
356.15860	12.0
384.07208	1.3
385.23727	1.5
422.16910	3.6
440.13226	5.5
440.21545	3.7
440.72058	1.4
441.22760	3.3
455.88046	1.1
464.04846	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	440.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61242	0.7
59.01392	0.8
61.98839	1.1
70.27818	2.5
98.20518	1.1
107.05049	6.7
109.02950	1.4
115.39795	0.7
126.76942	0.8
135.00787	0.7
135.04546	31.6
136.01633	1.3
136.04842	2.8
150.03262	0.8
157.87628	0.8
161.02464	0.7
163.00429	1.2
193.05196	0.9
201.14354	0.7
209.06908	0.8
211.11368	0.7
225.09232	8.0
226.10019	39.8
227.10370	2.4
239.10855	1.0
241.12372	55.6
242.12704	6.5
258.08813	0.8
267.06686	1.0
268.07043	2.1
269.08237	2.3
270.08612	1.2
293.15634	3.4
303.15979	1.0
304.12689	1.1
305.12271	0.9
311.16495	0.8
330.14499	1.9
335.26733	0.8
350.11182	2.6
355.15540	100.0
356.15915	13.0
364.12717	1.7
407.14551	0.9
408.15350	9.7
409.15604	1.4
422.17111	2.2
423.17984	2.2
440.12570	1.8
440.17487	7.5
441.19211	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21952	0.4
59.01395	0.6
61.98837	1.3
71.01381	0.4
71.55096	0.7
73.49771	0.4
75.70506	0.4
81.27885	0.4
93.86281	0.4
94.30709	0.4
107.05038	8.4
109.02967	0.7
119.05057	2.7
135.04541	33.6
136.04845	2.7
149.02495	0.6
149.06100	0.7
150.43359	0.4
156.78090	0.5
163.00423	0.7
165.05569	0.5
181.10222	0.6
193.05066	0.8
221.76932	0.4
225.09233	7.2
226.09995	42.1
227.10388	3.2
230.09500	0.4
237.09247	0.6
239.10759	0.8
241.12361	61.5
242.12697	5.6
258.08997	0.5
269.08264	2.6
269.39044	0.5
270.08810	0.7
283.09741	1.0
293.15454	3.3
303.12296	0.6
304.12784	1.3
311.16666	1.7
330.14471	0.5
350.11160	0.6
355.15527	100.0
356.15884	12.1
378.17630	0.5
408.15521	1.5
410.42068	0.4
422.16989	0.5
440.12714	1.8
440.18063	3.0
440.22546	1.0
441.18924	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94824	0.8
57.03454	1.4
59.01385	100.0
59.39033	0.8
60.01711	1.3
61.98829	1.2
71.01392	13.6
71.79209	0.9
73.00173	0.9
73.02959	5.3
81.03479	1.0
83.01407	2.3
83.05036	1.2
85.02965	5.5
89.02467	3.1
95.01411	1.3
96.96016	1.6
99.00835	1.0
99.34413	1.0
101.02452	9.3
109.02952	1.5
111.00964	1.0
113.02437	5.3
119.03567	1.5
119.05060	3.7
121.03004	1.1
125.78566	1.0
127.63490	0.9
135.04514	3.1
136.01672	1.4
137.02449	1.5
161.04591	4.8
163.00394	2.2
164.26611	0.9
178.02744	0.9
189.01985	1.0
221.04526	1.2
223.07677	2.0
225.09189	2.9
235.07716	2.4
235.16931	1.6
239.07193	1.4
268.03784	2.8
283.06076	0.9
296.03250	5.1
311.05649	2.5
314.06830	1.1
315.07516	1.0
333.13602	1.9
395.06357	0.9
395.18549	1.1
397.22232	7.7
406.39304	1.1
409.09296	2.9
421.16617	2.0
423.90448	1.2
438.92676	4.9
439.12762	1.4
439.17825	15.6
440.17877	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	439.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75727	0.6
58.00592	0.7
59.01385	100.0
59.96185	0.6
60.01723	1.7
61.98869	0.8
67.80663	0.7
70.59371	2.0
70.59731	1.1
71.01387	16.2
73.02959	8.2
74.07291	0.5
81.11104	0.7
83.01404	2.9
83.05044	1.3
85.02959	5.4
87.00883	1.2
89.02448	5.9
89.02857	0.5
95.01408	1.3
97.02990	0.8
98.20066	0.8
99.00908	1.6
101.02457	13.0
113.02470	6.4
119.03567	1.3
119.05066	2.4
125.02464	1.0
128.59763	0.6
130.08791	0.8
135.04572	1.1
136.01715	0.8
143.03537	1.0
161.02547	1.2
161.04552	4.1
163.00354	0.7
167.03613	1.2
177.01993	0.7
179.02158	0.7
183.28204	0.8
189.02039	1.1
191.14990	0.7
211.07919	0.8
217.16035	2.1
223.07735	1.8
225.09325	2.3
235.07832	1.4
235.17139	2.8
237.09239	2.3
251.07442	1.0
253.08846	1.5
267.06805	1.1
279.10266	0.7
283.06305	1.1
296.03394	1.4
323.09473	1.1
333.13712	1.9
379.21146	5.7
395.18912	2.1
397.22293	19.2
398.22900	2.6
421.16696	3.2
439.17838	12.3
439.23621	4.3
439.31168	0.9
440.18262	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	439.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80106	0.6
55.01884	5.3
57.03460	3.7
58.00596	1.5
59.01382	34.0
69.03459	1.3
70.34698	1.5
71.01388	51.4
72.01720	1.2
72.99316	1.8
73.02953	22.9
75.00878	1.9
83.01396	11.4
85.02957	24.6
86.00081	1.1
87.00905	3.5
89.02460	11.8
95.01395	3.6
97.02937	2.8
98.81693	0.5
99.00897	8.8
101.02453	51.5
102.02799	1.2
111.00880	2.4
113.02459	19.7
114.02731	0.5
115.04019	1.2
119.03539	2.8
125.02438	3.1
129.01958	1.5
131.03519	2.3
141.01933	0.6
143.03479	2.1
145.12335	1.5
149.04546	1.5
150.94731	0.6
159.03003	4.4
161.03258	1.2
161.04573	21.4
162.04987	0.6
210.85806	0.6
233.06720	2.1
293.08652	0.8
307.17642	100.0
308.17990	8.3
316.74765	0.5
439.21851	43.8
440.22345	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	439.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42247	0.9
55.01878	5.7
57.03457	4.1
58.00597	1.8
59.01387	49.4
59.04453	0.9
69.03461	2.3
70.29588	3.4
71.01388	67.2
71.86774	0.9
72.99319	2.6
73.02954	33.4
74.03272	1.2
75.00880	2.7
78.86814	0.9
82.86573	1.0
83.01396	17.3
85.02958	34.2
86.00132	1.1
87.00880	5.2
89.02459	19.1
95.01411	5.9
97.02969	3.9
99.00885	15.4
101.02452	64.7
102.02840	1.2
111.00890	4.9
112.11992	1.0
113.02461	25.7
115.04005	2.1
119.03569	1.5
123.04536	1.0
125.02449	5.8
129.01968	1.3
131.03548	7.1
138.05617	3.7
139.05998	1.7
141.01955	1.1
143.03465	1.9
147.43661	1.0
149.04591	3.6
159.03003	6.8
161.04573	23.8
191.05679	1.4
220.88341	1.0
232.53085	1.0
233.06686	3.7
293.08948	1.7
307.17651	100.0
308.17981	9.4
333.52277	1.0
403.19852	3.6
439.21936	99.5
440.22336	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	439.2128
Annotation	11beta-Hydroxydihydrocedrelone
Peak:m/z	Relative Intensity
53.76367	0.6
57.03457	1.0
61.98834	0.9
70.65954	0.7
70.66283	1.7
79.05554	1.5
80.56917	0.5
81.42265	0.7
83.05061	2.9
83.16996	0.6
91.63753	0.7
92.47864	0.6
93.03490	2.3
97.06612	1.7
102.72207	0.6
107.05024	1.2
108.02213	1.1
109.02985	1.2
119.08709	0.8
121.03004	1.1
121.06626	5.1
122.03721	0.9
123.08096	0.6
131.05055	1.0
133.03003	0.9
134.03722	0.7
135.04546	12.1
137.09743	20.7
138.10126	0.8
145.02983	1.0
161.02577	0.8
163.00369	0.7
167.03555	0.8
183.08153	0.7
211.07629	2.6
212.08476	10.8
213.09169	2.0
214.50507	0.7
223.07709	2.0
225.09247	10.9
226.10013	4.3
227.10806	12.1
227.12923	1.0
237.09283	2.8
238.10136	1.1
239.06911	0.7
239.10825	1.1
241.12404	4.7
253.12321	0.8
269.08334	0.7
278.05975	0.9
279.06656	0.6
279.13986	0.9
279.37552	0.7
281.08292	0.8
281.15561	2.0
287.53412	0.6
291.19678	2.3
293.15466	1.0
301.12598	1.8
302.13235	2.1
303.12769	3.7
307.17059	4.8
317.15521	6.5
318.15750	0.7
319.17090	3.2
320.17215	0.7
325.14520	0.8
329.14090	1.5
337.18008	1.4
341.10428	1.0
359.20291	0.9
377.21313	2.9
380.03473	0.8
403.15268	0.7
421.16730	2.7
439.09241	2.7
439.21417	100.0
440.21817	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	439.2128
Annotation	11beta-Hydroxydihydrocedrelone
Peak:m/z	Relative Intensity
51.26683	0.6
57.03471	1.0
59.01385	1.9
59.39933	0.6
61.98829	1.2
63.44060	0.6
69.54486	0.6
70.55672	2.0
71.05049	0.6
79.05548	0.8
83.05032	6.6
87.04532	0.9
93.03477	1.0
97.06606	1.5
107.05052	1.3
108.02190	0.9
117.99810	0.8
119.05053	2.0
121.06659	0.7
122.03755	0.8
123.62036	0.6
133.02997	0.8
135.04538	4.6
136.01639	0.9
137.09761	2.7
149.02435	1.3
149.06108	2.5
151.04082	0.9
161.02515	3.4
161.06128	0.6
163.00424	0.9
163.04115	0.6
164.01268	0.6
171.08211	0.7
179.08708	0.7
192.95889	1.4
203.11191	0.6
205.12251	0.9
211.07744	1.0
212.08441	2.2
219.10341	0.8
223.07616	1.2
225.09233	28.0
226.09911	5.3
227.10812	2.5
237.09225	12.3
238.09628	1.1
239.07253	0.9
239.10712	0.7
241.12329	3.2
252.07951	0.8
253.12340	0.7
267.06677	1.9
269.08362	1.3
279.06671	0.7
281.08331	2.0
292.14749	1.5
293.14258	1.2
295.17035	15.9
295.20132	1.1
296.17422	1.5
297.07718	0.9
307.17056	17.6
308.17438	1.9
309.10962	0.7
317.15634	1.1
319.17249	0.9
341.10477	1.2
347.25870	4.2
355.15515	4.1
367.15662	1.1
377.21259	0.9
395.22546	1.6
421.16617	1.7
439.21442	100.0
440.21756	15.5
464.59720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2127
Annotation	11beta-Hydroxydihydrocedrelone
Peak:m/z	Relative Intensity
56.22741	0.6
59.01359	0.9
61.89738	0.7
63.02432	0.7
65.00329	0.9
66.63234	0.7
67.71882	0.8
70.27904	0.8
71.55457	0.8
81.03460	2.5
83.05055	0.8
93.03452	1.7
95.24908	0.7
96.95986	0.8
107.01388	1.8
107.05054	5.8
108.02183	2.4
108.28522	0.7
109.02911	1.1
116.97276	0.9
121.02962	7.9
122.03812	3.9
123.00935	0.9
123.04504	2.1
134.03717	0.9
135.04524	13.3
136.05275	1.0
137.02460	2.5
137.06033	0.8
147.04469	1.6
148.01683	1.2
149.02428	1.6
149.06125	1.7
150.03214	0.9
151.03990	2.3
161.02443	9.6
163.03990	0.9
167.03392	1.8
168.00603	0.7
172.21992	0.7
173.02463	3.0
173.06143	1.9
174.03232	1.7
175.07669	1.7
179.03511	1.1
189.09227	16.3
190.09560	1.6
199.03972	1.5
201.05598	2.3
201.09212	0.9
211.07607	1.0
213.05583	0.8
215.07127	3.9
216.07970	1.2
223.07622	1.8
225.05630	4.0
225.09309	1.1
228.07877	1.2
229.08621	0.9
231.17555	6.6
233.08200	1.3
237.05579	1.7
239.07236	1.0
241.08505	1.0
241.15985	0.9
245.15465	1.3
251.07097	1.0
254.05862	1.1
257.15540	1.6
258.16248	1.2
259.17078	12.8
260.17349	1.5
267.06815	0.8
269.08231	1.1
273.18607	5.9
285.14990	33.1
286.15381	3.6
287.09344	1.7
293.11765	1.6
295.06171	1.2
297.07672	1.0
303.15979	2.5
309.11511	4.5
310.11798	0.9
311.13037	1.5
329.14026	0.9
337.10883	3.5
362.18677	2.3
377.21234	4.6
393.20758	5.0
395.22375	8.0
396.22598	1.5
406.17883	1.4
421.20261	78.3
422.20627	11.7
439.21280	100.0
440.21671	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	439.2129
Annotation	11beta-Hydroxydihydrocedrelone
Peak:m/z	Relative Intensity
59.01274	1.2
59.01530	0.6
61.40353	0.7
68.99706	1.1
69.86495	2.6
78.94807	0.6
85.32496	0.6
98.20654	1.0
106.04125	1.2
108.01971	7.8
109.02776	2.1
116.25948	0.7
119.04837	1.2
119.99403	0.7
121.02751	3.3
122.03526	3.4
123.04319	3.5
123.05204	1.4
130.04019	2.7
133.02808	0.9
134.03531	67.1
134.04643	6.5
134.05151	2.8
135.04277	11.3
135.05440	1.1
136.01442	60.4
136.03127	2.2
136.05110	1.5
137.01843	2.0
143.04877	1.4
144.05673	1.2
145.06364	3.6
149.05862	41.2
149.07161	3.1
150.03090	1.7
150.06274	1.3
151.03784	48.8
151.05103	3.8
152.04108	2.6
157.06291	2.4
157.07492	0.7
158.07236	0.8
159.07927	2.8
159.09079	0.7
161.02292	2.0
161.06003	0.9
162.02972	1.0
163.03780	22.6
163.05241	1.5
164.04526	5.4
165.01701	1.1
166.69202	0.7
175.04030	10.4
176.04230	1.0
187.03839	1.3
189.05403	1.5
196.03514	0.8
201.05363	2.6
203.06935	2.5
217.08540	0.9
227.10509	0.8
227.14191	2.8
237.09042	1.2
240.07648	0.8
243.17332	0.7
245.15466	14.1
246.15570	1.1
271.13397	20.2
272.13629	1.9
281.08112	1.6
287.16559	65.5
288.16904	6.8
289.11420	1.1
289.14471	17.9
290.14722	1.2
303.10294	0.8
315.16043	8.9
316.16174	1.0
329.13712	0.7
337.10822	2.3
421.20233	100.0
422.20499	14.1
439.21304	27.4
440.21896	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	439.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	17.3
63.02397	1.2
65.00327	5.5
68.99840	1.5
70.58749	1.9
70.59113	1.5
81.03461	1.3
83.01405	2.8
86.08295	1.1
93.03445	1.9
95.01362	1.1
107.05030	1.4
108.02183	2.6
109.02968	5.4
109.06580	2.0
111.00854	1.4
121.02954	4.9
122.03763	2.6
123.00926	0.9
123.04544	11.5
123.08163	1.1
124.01676	39.3
125.02491	1.8
126.51288	0.8
133.02928	1.5
135.04518	2.3
137.02431	5.1
139.04010	3.5
145.02946	1.1
146.03767	1.4
147.04533	3.1
147.08130	1.2
148.01775	0.9
149.02441	9.5
149.06052	2.0
149.99556	1.4
150.03275	9.4
151.00389	2.6
151.04039	10.1
152.01166	2.9
159.04518	2.2
160.05449	1.1
161.02431	3.3
161.06129	1.1
162.03276	1.8
163.00406	1.4
163.04007	1.4
165.01944	7.5
165.05507	1.7
165.77940	1.0
170.03775	1.4
171.04524	1.5
173.06110	1.6
174.03194	3.7
175.03998	14.7
175.07622	1.6
176.01169	1.3
176.04503	1.0
177.01942	36.6
177.05536	1.5
177.12878	2.3
178.02472	1.5
178.99858	2.4
187.04021	2.5
188.04794	3.7
189.05583	3.6
191.03511	2.7
191.07166	4.5
193.05022	3.0
193.15976	7.3
199.04065	4.1
201.01952	3.1
201.05557	1.0
201.12840	4.0
205.05078	1.3
211.04042	1.7
212.04726	1.9
213.05469	1.6
214.02687	2.0
215.03423	2.4
216.04256	2.0
217.05057	6.8
217.08694	3.1
217.15979	2.5
218.05612	0.9
219.03059	2.0
219.06647	22.6
219.13922	5.4
220.07170	1.3
225.09248	5.8
227.07040	0.9
228.04272	1.7
229.05132	1.4
230.05829	2.6
237.09099	1.2
240.04303	12.4
242.02142	1.7
243.06546	2.8
243.13757	1.1
253.04999	1.0
255.02850	1.2
256.03806	14.9
257.04114	1.8
258.05374	2.0
261.14975	80.0
262.15356	7.2
263.39880	1.1
273.14807	1.4
284.03186	4.2
287.13000	14.0
287.16071	1.0
288.13394	1.2
289.14435	11.1
295.17035	2.6
311.16394	1.3
315.12469	13.8
317.13913	6.4
335.16083	1.7
353.17578	1.9
377.17673	4.3
393.16281	1.1
395.18552	10.5
411.18109	15.8
412.01648	1.2
412.18466	1.4
421.16592	100.0
422.17026	14.1
433.33298	1.1
439.16742	30.3
440.17090	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	439.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	7.9
59.01366	3.1
61.98831	1.5
65.00327	3.1
69.88186	1.2
71.55296	2.4
83.05051	5.0
93.03500	2.5
95.05084	1.4
103.01495	1.2
107.05045	5.7
108.02180	3.1
109.02982	3.0
118.29082	1.3
119.05068	4.6
121.02945	3.1
121.06602	3.5
123.04517	5.4
124.01676	13.3
134.03690	2.6
135.04547	10.1
136.01762	1.6
136.04909	1.3
137.02455	3.6
137.09723	5.9
139.03992	1.9
146.03778	1.6
149.02438	4.4
149.06076	3.1
150.03244	4.6
151.00383	1.3
151.04021	5.4
152.01051	1.3
156.17253	1.3
159.04555	1.9
161.02457	5.1
162.03177	2.0
163.00398	1.5
165.01970	5.0
167.03546	1.8
175.04012	5.4
175.07689	1.4
177.01935	14.8
177.05582	8.9
180.04228	1.3
183.08177	1.6
187.04018	2.4
188.04869	1.3
189.01970	2.0
189.05550	2.8
191.07060	1.6
193.15977	3.5
199.07594	1.6
201.12831	2.5
205.05081	10.7
211.07605	2.2
212.08482	5.0
213.09103	2.0
214.02893	1.4
217.05042	3.6
219.06700	8.4
225.09222	18.8
226.09912	8.6
226.71265	1.5
227.10773	6.3
237.09229	8.5
238.09529	2.3
239.10689	1.3
240.04324	4.4
241.12373	5.9
251.07065	1.6
253.08740	1.9
256.03815	5.6
261.14993	34.0
262.15363	2.1
269.08218	1.8
270.05359	1.7
271.09851	1.7
273.15042	1.5
281.15576	3.2
282.15982	1.4
287.12845	4.7
289.14447	3.5
293.15369	2.7
295.16907	3.0
299.09406	1.6
307.17148	10.2
315.12350	5.9
317.15244	5.7
319.17166	2.3
321.11282	4.8
333.13651	3.9
341.09995	1.6
347.26059	1.9
354.14261	5.0
355.15359	3.1
377.17163	2.4
377.21341	2.6
393.17126	7.0
394.17130	1.3
395.18549	6.0
411.18158	5.5
421.16571	50.5
422.16721	8.2
437.14798	1.6
439.21704	100.0
440.22107	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	439.1764
Annotation	Sophoraflavanone E
Peak:m/z	Relative Intensity
57.03453	6.7
58.11945	1.0
59.01381	1.5
65.00332	4.1
69.03463	1.1
70.09165	3.8
83.01380	2.1
85.06639	1.3
93.03466	1.9
95.05017	1.0
107.05065	1.9
108.02194	1.6
109.02956	6.6
111.00835	1.0
119.05029	4.7
121.02944	2.5
123.00893	1.0
123.08146	1.4
124.01678	14.5
125.02451	3.0
131.04970	2.4
132.14038	1.1
133.02992	6.0
135.04507	5.6
136.01648	1.3
137.02457	2.6
139.11304	5.7
145.02965	1.5
148.31673	1.0
149.02457	2.9
150.03165	1.2
151.00423	1.9
152.01144	2.9
157.06696	1.3
163.00435	1.4
165.01950	3.8
166.02710	1.8
173.06039	1.9
176.01170	1.6
177.01952	10.1
177.05528	9.1
178.02708	1.1
178.99828	2.4
179.03465	1.8
191.03410	1.4
191.14452	1.4
201.05609	4.5
203.03506	2.2
205.05046	3.0
213.05521	1.7
215.07188	1.5
217.12305	2.4
219.06650	3.6
235.13335	3.9
242.05858	1.7
253.05193	1.4
259.13464	2.0
271.06091	1.6
277.14462	35.1
278.14877	3.2
283.06189	1.2
285.15311	1.5
287.12949	2.4
303.12469	5.7
305.13840	2.2
327.60254	1.1
329.13882	3.7
329.17654	1.1
331.11899	2.8
353.17746	1.3
365.17694	1.3
367.19141	1.5
373.76190	1.1
395.18445	8.2
411.18130	63.5
412.18454	7.5
421.16626	3.5
439.17621	100.0
440.18051	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	439.1765
Annotation	Sophoraflavanone D
Peak:m/z	Relative Intensity
57.03450	5.1
59.01378	3.3
61.98823	1.1
62.54953	0.7
64.46455	0.7
65.00318	3.5
68.99810	0.9
69.86674	2.7
69.87085	1.7
81.03448	1.0
81.07072	0.8
83.01396	2.5
83.05042	1.0
91.24718	0.8
93.03481	1.6
95.01402	1.0
104.86483	0.7
107.05028	1.2
108.02144	1.5
109.02959	5.3
109.06579	3.2
110.15782	0.8
119.05032	4.8
121.02952	2.4
122.58946	0.7
123.04523	1.4
124.00857	1.4
124.01675	15.2
125.02463	4.1
127.63206	0.7
129.16634	0.7
131.05042	1.6
133.02979	4.2
134.03749	0.8
135.04532	7.9
137.02441	5.2
138.03252	1.2
149.02425	3.6
149.99597	0.9
150.03203	1.7
151.00369	2.3
152.01186	5.9
153.01880	1.0
157.06532	0.9
159.04512	1.3
161.02489	2.0
161.06100	1.2
163.00392	1.6
163.03979	1.1
165.01968	4.5
166.02713	2.4
173.06145	1.5
175.03935	1.1
175.07631	1.1
176.01161	1.3
177.01959	7.8
177.05612	11.8
178.02711	1.4
178.06177	1.0
178.99812	1.9
189.01932	1.0
189.05606	1.1
191.03455	1.1
201.05591	6.3
203.03474	2.9
203.07176	0.9
205.05058	11.1
206.05762	2.3
209.15544	1.0
213.05583	1.5
214.06367	1.2
215.07214	1.0
217.12323	2.2
223.07806	1.0
226.38849	0.8
227.06996	1.1
229.08768	0.8
233.04526	1.0
235.13445	3.8
237.09225	1.4
239.07162	0.9
241.12462	0.8
242.05817	2.0
243.06604	1.6
245.08168	2.0
258.05252	1.2
259.13397	1.1
267.06470	1.0
271.06189	2.1
277.14468	33.7
278.14822	2.1
279.06494	0.9
283.06155	7.4
287.13156	0.9
291.19812	0.8
297.07541	1.3
303.12469	5.6
305.13959	1.0
312.10062	2.0
329.13962	3.3
331.11816	1.8
395.18579	8.8
396.19180	0.9
411.18143	54.4
412.18372	9.0
421.16513	3.6
422.16794	0.9
439.17621	100.0
440.17932	14.4
458.01035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1767
Annotation	Xanthokeismin C
Peak:m/z	Relative Intensity
57.03438	2.2
59.01368	1.6
59.51934	1.7
64.06196	1.7
65.00305	6.8
68.99809	4.0
69.25297	17.0
69.25642	1.6
83.01380	3.8
83.05038	10.1
84.68982	1.6
85.35112	1.5
89.69095	1.6
93.03437	7.3
97.44071	1.4
99.92236	1.7
107.01357	2.4
108.02148	2.4
109.02996	8.3
117.03445	3.6
119.05042	61.8
120.05344	3.2
121.02954	3.1
123.00860	2.0
123.08169	9.4
124.08587	1.6
131.04980	2.5
133.02950	3.8
135.00835	5.0
135.04550	20.2
136.01712	8.3
137.02478	7.8
145.02986	19.7
149.02425	4.0
149.06056	3.2
151.00380	8.2
152.01167	2.0
159.04468	6.6
161.02408	3.4
161.06009	2.0
163.00404	39.0
164.01013	6.1
164.02318	1.7
165.01912	9.4
166.02644	4.7
173.06021	4.1
175.00377	2.8
176.00978	2.8
176.04770	3.8
177.01941	17.5
177.05481	3.6
179.03477	2.2
185.06033	1.9
187.03900	3.0
187.07552	2.2
189.01784	1.7
189.05637	2.2
191.03430	2.1
193.01295	3.0
193.12387	1.8
201.05569	2.3
201.09114	2.0
203.03561	15.5
204.04176	2.8
205.04857	2.4
215.07181	2.5
217.04987	3.7
218.05722	2.4
225.08995	2.2
227.07094	2.2
229.04953	1.9
239.06963	6.2
239.10727	2.9
241.04915	2.2
241.12222	2.0
243.06691	7.9
251.07019	2.3
255.06499	1.9
257.08057	5.4
259.09598	2.5
269.08069	3.5
270.05228	4.7
271.05927	6.0
272.06598	2.9
275.12601	2.3
277.14420	6.3
283.03568	2.3
283.06180	27.8
283.09259	3.3
284.06674	2.5
285.11166	3.8
286.04816	2.6
287.09323	9.1
287.12045	1.8
293.13867	2.6
295.05948	6.1
297.07587	2.3
301.10715	5.3
303.12222	7.8
304.12512	1.8
317.13971	13.5
319.11655	6.0
323.09412	11.0
324.09750	2.6
329.13800	3.3
333.13144	2.4
349.10501	2.8
363.12469	17.8
364.12894	3.2
379.11429	2.1
395.18155	3.4
407.15030	100.0
408.15338	15.5
411.18182	19.7
421.16602	16.7
422.16928	5.8
425.19943	1.8
439.17270	79.2
440.17654	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	439.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95995	7.2
59.01368	38.9
61.98825	15.0
63.78149	8.9
67.06460	7.1
68.99816	7.4
69.64983	6.6
70.91769	17.8
71.01383	29.4
72.99325	12.4
73.02948	7.5
80.28197	6.8
84.90580	6.7
85.02965	11.0
88.78581	6.6
89.02468	16.6
90.97427	6.5
96.96014	69.8
99.00894	7.4
101.02435	11.7
113.02465	10.7
121.91270	7.3
122.03711	11.9
137.02446	9.5
142.73849	7.9
143.07114	6.5
149.02419	17.8
150.03252	64.8
151.51363	6.8
161.04565	10.2
165.01933	46.7
165.05560	74.1
180.04303	26.7
195.06647	100.0
331.12076	11.6
391.13989	29.8
439.17529	63.1
440.18188	9.1
452.90997	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	439.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	28.3
61.98829	3.2
71.01381	14.1
73.02948	5.1
77.01617	2.2
85.02947	7.4
89.02444	8.2
89.81007	2.1
95.01365	3.7
96.96011	11.6
98.20655	5.6
101.02447	9.7
113.02446	7.5
115.04091	2.6
119.03506	3.0
121.03036	2.4
122.03763	5.2
137.02438	4.8
145.02963	5.9
145.08710	2.5
147.04546	2.3
149.02454	20.1
149.04431	2.4
150.03244	62.4
161.04463	2.3
164.04803	4.0
165.01949	28.2
165.04181	3.1
165.05586	59.8
166.05893	3.2
180.04289	23.7
181.04822	3.8
195.06644	100.0
196.06966	3.9
243.08733	8.3
249.06114	4.6
259.06146	3.1
263.49512	2.3
263.88702	2.3
264.15683	1.9
301.07089	4.0
307.14047	17.4
331.11938	7.5
373.85071	2.4
391.13916	11.6
396.19412	2.7
403.19220	2.3
439.17645	36.8
440.18124	7.2
450.50064	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	439.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41342	6.9
59.01381	68.4
70.07224	14.2
70.07619	17.8
71.01386	29.4
73.02911	8.4
74.40717	6.5
85.02956	10.3
89.02472	33.9
99.00912	5.7
99.76455	6.0
100.68761	6.5
101.02457	16.5
113.02487	12.1
119.03482	8.6
149.04544	12.1
154.78639	6.1
195.06578	9.4
353.84436	7.3
379.16336	19.8
403.19736	16.4
439.17532	100.0
440.18039	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	439.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.2
58.46890	2.1
59.01384	82.6
68.99834	3.4
69.03453	3.1
69.42834	11.3
69.43253	7.2
71.01393	30.3
72.65531	2.2
72.99323	11.3
73.02928	3.9
75.00884	28.7
83.01395	5.2
85.02953	32.2
85.06599	100.0
86.06933	4.6
87.00867	9.6
89.02480	11.8
91.03980	2.9
95.01400	7.4
96.96019	7.9
99.00885	20.0
103.00344	3.0
111.00887	33.2
113.02463	34.4
113.03191	4.0
113.06100	69.3
115.00423	4.6
115.04030	34.1
117.01929	3.9
121.06711	2.4
129.01958	5.1
133.05063	6.6
138.05569	4.4
139.00410	16.8
139.04012	2.7
143.03528	9.5
149.02451	2.2
150.03218	10.3
157.01382	3.4
157.05067	19.4
165.01923	4.4
165.05573	12.0
171.02946	12.9
175.02452	5.7
180.04395	3.0
189.07613	2.8
195.06638	14.5
205.07117	3.2
231.05054	3.7
249.06175	95.7
250.06544	5.6
263.07761	15.8
264.77585	2.5
267.07251	23.6
281.08783	8.7
309.08286	31.6
421.13763	4.2
439.14365	50.8
440.14410	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	439.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23083	0.3
59.01384	0.6
71.01398	0.6
71.53450	0.5
71.60523	0.3
78.95911	9.8
79.95747	2.4
96.96023	100.0
96.96945	20.2
107.96663	0.3
148.32845	0.3
159.61153	0.3
169.04904	0.3
175.76817	0.3
179.30872	0.3
207.05278	0.4
264.49216	0.3
280.08176	0.3
362.16470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39986	0.8
66.19712	0.7
69.57233	0.7
69.80768	0.6
74.88653	0.7
79.59537	0.7
80.05528	0.7
82.24327	0.9
85.36734	0.8
93.19823	0.8
98.19815	1.5
99.92599	26.5
100.92646	1.3
100.93362	7.8
115.92094	53.5
116.92876	100.0
117.92899	4.8
140.14731	0.8
164.80267	0.8
169.23936	0.8
192.55623	0.7
223.07616	1.9
233.96338	1.2
234.97099	0.8
245.08142	1.1
245.96686	0.8
248.95045	1.0
259.11172	0.8
260.48212	0.7
269.96225	1.1
275.10706	1.6
277.12436	2.7
277.95230	0.9
278.12805	1.0
284.98685	1.5
286.13440	0.8
287.00000	0.9
291.13907	5.6
292.14453	0.8
293.15643	1.8
295.13336	1.0
299.97253	1.0
302.99698	0.9
308.01505	3.2
314.99725	1.7
325.01791	2.6
326.02393	1.2
330.02026	1.8
335.12949	1.0
337.01843	2.6
337.14526	2.5
352.00439	10.0
352.04337	0.9
353.00882	3.0
359.03983	0.8
362.06174	6.1
363.06537	1.2
376.04138	5.0
377.04535	1.2
377.08658	3.5
380.07269	2.3
389.04941	1.3
391.06769	1.8
394.05167	3.7
395.09567	2.9
406.05197	12.0
407.05606	2.5
409.07489	2.0
415.65369	0.9
421.07535	73.9
422.07727	13.3
439.08646	20.1
440.08780	3.5
452.28152	1.0
453.06628	2.9
454.06577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	25.3
61.08604	0.6
61.98837	100.0
63.97695	0.6
67.95378	0.6
71.01393	3.7
71.55482	0.8
73.02969	3.1
82.78024	0.6
85.02991	1.6
89.02457	1.3
96.96041	1.2
101.02465	2.0
113.02448	0.9
125.55884	0.6
126.73334	0.6
213.09261	1.1
214.09538	1.4
215.09885	1.7
216.10161	0.7
233.99127	1.1
235.07722	0.9
307.19418	1.1
385.25806	0.6
397.22534	1.2
408.01447	0.6
439.18640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57240	0.7
59.01381	19.4
60.01702	0.8
61.94054	0.8
61.98830	6.1
65.17440	0.6
69.37225	1.5
69.37628	3.6
71.01377	2.4
85.02931	0.7
89.02460	0.9
101.02409	1.1
113.02407	0.7
113.93406	0.6
118.06656	8.2
122.06071	1.3
123.06908	12.1
124.07703	1.5
146.06128	36.1
147.04492	3.6
147.06561	2.0
159.36876	0.7
161.06082	6.2
168.06715	0.9
179.05833	1.3
189.05568	2.0
190.07530	0.8
212.10847	3.8
213.10379	1.7
226.07562	3.5
226.12350	1.3
227.08270	20.4
227.11884	1.8
228.08493	1.2
240.09073	1.0
241.09898	22.8
242.10579	6.2
253.09776	1.0
254.10638	1.8
255.11409	17.6
256.11749	1.2
269.12991	9.6
270.13791	10.5
271.14267	1.4
283.06299	0.9
295.10941	0.8
302.12717	9.9
314.12650	4.0
378.18280	0.9
394.21359	23.0
395.21774	2.6
420.19336	2.3
421.19678	0.8
438.20352	100.0
439.20844	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	437.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36868	0.2
59.01384	0.5
65.37197	0.2
67.12662	0.2
68.04608	0.2
68.92401	0.3
71.55444	0.2
71.55824	0.4
96.96025	0.4
102.99233	0.3
114.93449	0.4
121.02984	0.4
122.03765	1.3
123.04519	0.3
129.07140	0.4
134.03726	0.5
135.04546	2.8
147.04536	0.5
148.01671	0.7
148.05333	0.3
149.02449	0.3
157.06590	1.0
159.04501	0.9
161.02483	0.3
162.03230	1.6
165.01941	0.6
170.07356	0.3
171.08171	13.9
172.05261	0.4
172.08568	0.9
173.06145	1.9
174.06866	2.8
175.04016	1.6
175.07590	0.6
185.06094	2.4
186.06853	0.3
187.03972	0.3
187.07671	1.7
188.08443	14.2
189.09050	1.1
200.04851	0.4
201.05611	1.8
202.06287	0.3
203.07170	0.4
213.05600	0.7
215.07137	13.1
216.07904	9.1
216.96495	0.3
217.08289	0.6
225.09152	0.7
239.14514	0.3
241.08640	0.3
248.06767	0.3
256.15030	0.3
283.13382	0.4
284.14169	1.1
295.17316	0.3
338.22388	0.3
339.16049	0.5
339.23212	0.6
367.22784	0.3
370.86642	0.3
379.22781	0.4
393.28098	0.3
409.27719	0.5
437.26984	100.0
438.27335	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	438.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.98827	1.9
62.70849	0.7
66.07603	0.8
71.55186	1.5
96.96023	1.1
97.06577	0.9
107.12590	0.8
108.02171	1.8
133.06680	0.9
135.00873	1.1
135.04535	16.5
136.01669	1.3
136.04836	2.4
149.02383	1.3
151.00331	1.3
155.42047	0.8
159.08167	0.9
160.05330	1.1
161.02361	2.4
163.00366	2.0
164.01147	1.4
167.03519	2.6
175.03990	5.0
175.07680	1.3
175.82774	0.9
185.02240	1.8
188.04779	2.0
203.07146	11.0
204.07588	0.8
208.13553	0.7
220.03656	1.1
225.09224	12.7
226.09662	1.9
227.10732	0.9
237.09164	2.2
251.10780	64.3
252.08565	0.8
252.11058	5.7
253.12505	1.5
267.06665	1.3
276.11398	0.9
277.12341	2.8
279.10242	10.1
280.10547	1.4
291.13885	1.7
294.12640	19.7
295.13022	2.0
297.07806	0.9
303.12415	2.3
309.14981	13.8
310.15356	2.0
313.07275	2.4
319.84781	0.9
353.13956	100.0
354.14294	11.4
364.25800	1.0
421.16238	1.2
438.10895	2.4
438.20261	9.7
439.17325	5.4
439.21649	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	437.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60028	0.3
69.40710	1.0
69.41138	0.9
76.40488	0.2
98.20625	0.4
107.05016	0.9
108.02191	0.4
119.05004	0.6
121.02925	0.5
122.03775	0.6
123.04478	0.3
123.08162	1.0
134.03743	0.8
135.04544	11.2
136.01665	0.3
136.04840	0.4
137.02417	0.6
138.03258	1.6
143.08650	0.5
147.04517	0.3
148.01685	2.0
148.05344	0.3
149.02426	0.8
151.48798	0.3
157.06602	0.5
159.04523	0.8
160.05296	0.6
161.02409	0.7
162.03241	9.5
163.00395	0.4
163.03838	0.8
164.01178	0.5
165.01944	2.3
166.02484	0.4
170.07298	0.5
171.08173	1.9
172.05350	0.6
173.06105	0.8
174.06848	0.5
175.04031	4.2
175.07661	1.3
176.01155	0.4
183.08092	0.7
185.02560	0.2
185.06082	0.4
185.09714	0.7
186.03133	0.5
186.06830	0.3
187.07635	0.8
188.08414	1.2
189.05528	0.5
189.09207	0.7
193.01501	0.4
194.02209	0.5
197.09776	0.4
198.03201	0.5
199.04051	1.4
200.04741	1.0
201.05620	2.2
201.09248	1.3
202.06342	2.2
202.09930	1.0
203.07001	0.3
203.10788	2.4
212.04756	0.3
213.05556	1.4
213.09259	0.4
214.06238	0.4
215.07130	7.5
215.10654	0.5
216.07863	2.2
217.08612	0.5
219.06703	0.5
226.92699	0.3
227.07147	0.8
229.08699	15.5
230.09038	1.3
231.10318	0.5
234.05376	0.6
241.08687	1.0
255.10265	0.7
257.11749	0.4
258.12637	2.1
259.09805	0.5
259.13297	0.3
269.11816	0.4
274.01648	0.2
283.13538	1.2
285.11325	2.6
286.11777	0.3
297.14856	0.3
299.12875	2.0
300.13577	1.0
325.07108	0.3
340.20459	0.5
351.19791	1.8
352.20001	0.3
367.19061	1.1
368.12622	1.8
368.19879	0.9
369.12912	0.4
391.26172	0.4
394.25156	0.5
409.27640	0.6
419.25848	1.0
437.26971	100.0
438.27319	17.3
464.96985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82591	3.5
57.35931	3.4
59.01352	3.5
71.18172	7.3
84.89893	2.8
88.57167	2.7
107.05026	5.9
115.72307	3.2
122.03747	6.2
134.15540	3.2
135.04533	76.7
136.04877	3.9
159.04550	5.5
163.11198	3.8
172.05286	3.9
173.06093	7.7
187.07663	4.8
188.08430	100.0
189.08919	5.1
325.21912	4.8
378.25647	24.4
393.27966	54.5
394.28250	14.2
409.87521	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	437.2699
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
63.57029	0.3
69.41228	1.9
70.22604	0.3
96.19085	0.3
100.38622	0.3
107.43053	0.3
108.29810	0.3
122.03749	1.5
122.14527	0.2
131.95140	0.3
134.03787	0.5
135.04529	2.7
140.59383	0.3
148.01662	0.7
148.05260	0.4
157.06604	1.0
159.04514	0.7
160.01772	0.3
161.02502	0.4
162.03238	2.1
165.01953	0.6
171.08173	14.7
172.05339	0.4
172.08554	1.0
173.06078	2.4
174.06850	3.1
175.04025	1.9
175.07542	0.4
185.06102	1.8
187.07643	2.1
188.08444	14.3
189.08846	1.3
200.04814	0.3
201.05582	1.6
202.06268	0.4
202.67067	0.3
213.05624	0.9
215.07137	13.3
216.07895	10.0
217.08328	0.4
229.08632	0.3
283.13321	0.5
284.14288	1.3
311.16620	0.4
338.22620	0.5
339.15933	0.6
339.23239	0.7
365.21188	0.4
379.23178	0.4
394.29077	0.3
409.27399	0.5
419.25623	0.3
437.26974	100.0
438.27344	16.7
438.33734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10122	1.1
79.88012	0.3
107.05045	0.4
109.02950	0.5
122.03773	1.7
129.07088	0.4
134.03729	1.2
135.04543	22.5
136.04871	0.9
138.03221	0.4
148.01701	1.1
148.05327	0.4
157.06584	1.0
159.04494	0.8
160.05225	0.4
161.02467	1.3
162.03232	2.3
170.07251	0.5
171.08170	10.8
172.08502	0.7
173.06078	1.3
174.06892	2.5
175.04015	1.4
175.07707	0.5
185.06082	1.7
187.07642	1.5
188.08449	9.4
189.09123	0.8
199.03954	0.3
200.04807	0.9
201.05566	2.5
202.06337	1.0
202.09927	0.6
203.07176	0.5
213.05550	1.0
213.09244	1.4
215.07137	11.2
216.07884	9.4
217.08444	1.2
229.08661	0.8
231.06667	0.4
241.08731	1.2
243.06638	1.0
259.09793	0.3
267.06671	1.1
269.15369	0.4
270.16226	1.4
271.17224	1.5
285.07727	2.0
297.14948	5.2
298.15521	0.7
301.14481	4.1
327.16241	2.5
351.19672	0.6
368.20029	0.7
409.27835	0.4
419.25858	1.6
420.26273	0.5
435.25256	0.6
437.20465	4.1
437.26981	100.0
438.27328	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	437.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.7
57.96693	0.9
59.01385	100.0
60.01715	1.0
60.64183	0.7
61.98829	1.0
65.42060	0.7
69.27041	4.1
69.27472	2.0
71.01383	4.5
72.58302	0.6
73.02962	2.4
78.37070	0.6
78.84406	0.8
83.01389	0.8
85.02980	2.5
85.40634	0.7
87.00894	1.3
87.04520	36.4
88.04869	0.9
89.02482	1.4
96.96056	1.6
98.20728	1.3
99.00880	0.9
101.02431	3.6
104.16796	0.7
113.02480	2.1
119.05048	0.8
121.03023	1.1
133.02986	1.2
135.08229	0.8
145.79652	0.7
161.04570	1.2
211.18155	0.7
233.15544	6.4
255.03111	0.7
256.03827	0.9
271.02692	1.4
284.03363	1.5
285.04150	1.6
342.03830	1.7
357.06409	3.2
377.19543	4.1
379.08569	0.8
395.20834	6.5
408.14554	1.4
437.09259	4.3
437.16312	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	437.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07893	1.2
52.71635	1.2
59.01371	2.1
71.55079	1.2
80.02679	0.9
91.05558	5.7
91.55640	1.1
93.03467	6.9
95.05038	1.6
107.05046	2.9
109.02932	1.8
119.05040	23.9
121.02967	7.7
123.04483	1.7
135.04538	33.7
137.06108	2.0
138.03255	2.3
149.02403	3.1
162.03246	13.2
163.04024	90.0
164.04355	4.4
165.01909	3.7
173.06085	2.5
176.01195	1.6
177.01895	3.1
195.03004	1.8
231.06548	3.7
293.83353	1.4
340.26794	1.1
372.27954	1.1
379.35263	1.0
393.27930	3.8
437.26968	100.0
438.27390	17.0
450.24713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2334
Annotation	CHEBI:67692
Peak:m/z	Relative Intensity
50.23586	0.9
56.50879	0.9
59.01360	1.8
68.63284	1.0
69.89577	0.9
80.97881	0.8
83.05022	3.2
98.19939	2.5
101.16262	1.0
130.55539	1.1
134.03683	1.2
135.04521	1.0
142.56741	1.1
144.13373	0.9
149.02437	2.6
149.06047	3.2
149.41678	0.9
150.03067	1.0
163.04001	2.0
181.10223	2.3
182.54219	0.9
193.05022	7.1
211.11209	2.9
212.11537	0.9
213.09227	1.6
215.06882	1.4
216.07864	1.0
221.91371	1.0
225.09221	56.6
226.09589	5.2
239.07137	1.7
239.10733	7.8
251.10809	11.1
255.10269	4.4
265.12341	4.5
269.08215	21.8
270.08655	1.0
283.09796	6.3
285.07455	1.5
295.17044	40.1
296.17368	2.8
316.09402	2.9
339.15958	9.4
364.35410	0.9
391.19073	1.7
393.24329	1.5
437.23193	100.0
438.23627	16.1
455.87372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11621	2.3
57.03448	3.3
59.01387	65.3
61.98838	13.9
68.61810	2.2
71.01391	33.9
71.05021	10.4
72.01717	2.2
72.99310	7.3
73.02950	7.5
75.00879	4.7
78.98596	4.8
79.95738	7.5
80.96525	47.4
82.95409	3.3
85.02936	13.3
87.00888	10.0
88.04052	77.9
89.02465	19.9
90.02805	2.4
93.03431	4.4
94.98110	13.3
94.98614	2.1
96.96025	35.8
97.02943	6.2
99.00896	4.9
99.04530	5.2
101.02462	14.8
106.98096	2.2
109.02962	2.5
113.02477	13.3
115.92100	3.2
116.92861	16.3
117.05610	14.4
117.57450	2.1
119.03513	5.4
125.02444	5.6
125.06080	4.9
129.05594	3.1
131.03532	3.1
133.05112	15.2
134.28249	2.3
134.97568	4.1
136.01683	3.4
137.02451	5.3
142.74208	2.1
146.08249	34.8
148.99197	3.1
149.04573	2.9
152.98685	2.5
155.03542	3.1
161.04539	3.5
164.98640	7.6
173.04536	11.1
179.05515	4.1
187.06116	8.1
190.47641	2.5
195.49051	2.2
215.65221	2.5
218.10364	100.0
219.10651	4.3
225.00684	11.1
249.06145	6.0
267.07150	2.4
299.04523	3.4
317.05490	28.1
319.67065	2.2
364.62012	2.5
365.10593	3.7
380.15588	3.1
437.07739	61.4
437.12949	12.2
437.17090	8.9
438.07990	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	437.2334
Annotation	Scopadulcic acid B
Peak:m/z	Relative Intensity
59.01373	0.5
59.70614	0.5
63.28174	0.5
69.18623	1.9
69.19050	2.9
83.05032	45.8
84.05386	2.4
89.39006	0.5
90.67733	0.5
97.82702	0.5
98.19812	0.9
107.05042	0.6
108.02166	1.0
119.05043	0.7
121.02974	1.1
124.01702	1.4
134.03802	1.9
135.04550	1.2
137.02486	0.6
143.39626	0.5
149.02490	1.4
149.06105	3.3
161.02498	0.7
181.10344	1.0
193.05162	1.2
209.06136	0.8
211.11398	1.1
219.06715	1.8
225.09218	53.8
226.09567	5.4
237.05537	0.8
237.09354	2.0
238.06401	0.7
239.10730	3.5
251.10881	1.2
252.07964	0.5
253.05197	0.5
253.12436	0.9
255.10301	0.7
261.14938	3.6
265.08707	1.7
269.08237	5.2
270.08463	0.7
272.10837	0.7
281.04730	1.4
283.09903	1.6
284.10400	0.6
291.14041	1.2
292.11136	1.6
293.04697	0.9
293.11850	0.7
295.16962	5.5
305.15656	1.0
316.09732	0.6
319.09927	2.0
323.16464	4.2
335.09418	1.4
336.10098	1.1
361.18289	1.6
362.18951	0.5
375.23334	3.0
387.16180	1.2
393.24374	12.3
393.29422	0.6
394.24875	1.5
404.16791	0.5
405.16852	4.0
437.23611	100.0
438.23901	16.2
438.29300	0.7
447.28284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1972
Annotation	4'-O-Methyldiplacone
Peak:m/z	Relative Intensity
57.56856	0.7
59.01374	2.0
63.02380	1.4
65.00074	0.7
65.00327	8.0
68.99809	1.4
71.55695	1.1
77.07114	0.7
83.05028	3.7
97.38625	0.7
106.48936	0.7
108.02195	3.7
109.02947	1.3
119.61704	0.8
123.04500	2.4
124.01598	0.8
129.07144	1.0
134.03752	30.1
135.04541	14.9
136.01610	0.8
137.02438	1.5
139.00368	0.8
143.46629	0.7
149.02480	1.3
149.06100	19.6
159.04506	1.3
161.02449	1.1
163.00354	5.2
165.05553	1.2
171.08179	1.6
173.06052	1.5
175.00337	1.9
175.03963	2.2
175.07521	1.2
176.01147	6.4
177.01859	1.4
177.12856	3.6
188.08389	2.2
189.05534	1.5
190.06250	1.7
199.14894	1.5
201.05537	1.4
201.12880	9.7
203.03548	1.3
203.07111	1.5
215.07121	1.3
217.05138	6.3
219.06560	2.1
219.13860	4.4
225.09279	4.8
231.06592	2.7
239.10672	0.7
243.13872	3.8
261.14709	0.8
269.08237	1.6
272.06744	0.9
287.12906	26.2
288.13159	2.7
301.14252	1.7
313.07089	1.8
313.14432	1.5
353.10306	1.2
355.14981	0.8
387.15738	0.8
410.40387	0.8
422.17294	1.0
437.19531	100.0
437.26645	9.5
438.19714	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	437.1975
Annotation	CHEBI:66264
Peak:m/z	Relative Intensity
55.33513	0.4
59.01373	0.8
63.02426	0.5
65.00334	1.4
68.99812	1.7
69.62908	1.8
69.63319	1.2
79.91346	0.4
83.01408	0.6
95.01392	1.2
109.03017	0.6
109.06595	0.8
110.00079	0.9
122.03761	0.6
123.00910	1.1
123.08160	1.0
124.01671	0.7
124.42318	0.5
131.05040	0.6
133.02934	0.6
133.06575	0.8
134.03905	0.6
135.00868	0.5
135.04535	0.6
136.01585	0.9
137.02467	3.5
142.43246	0.5
147.08168	1.5
149.02438	1.6
149.06120	0.9
150.03154	0.5
151.07677	0.7
152.01184	0.6
159.04507	0.9
161.02460	0.8
163.00395	1.8
164.01099	0.5
165.01935	1.4
173.06133	1.0
174.06772	0.6
175.00308	0.7
175.04008	0.8
175.07645	1.1
176.01144	2.0
176.04811	1.2
177.01978	3.0
177.05495	0.7
177.12846	0.6
189.05591	1.4
190.02792	0.5
190.06369	1.4
191.03488	0.5
191.07158	9.4
192.07472	0.6
201.12877	1.5
202.06384	1.3
203.03540	1.1
203.07152	0.7
205.05029	0.6
215.07220	0.6
217.05067	1.7
218.05806	1.8
219.06648	12.8
219.13943	1.0
220.07091	1.1
223.86983	0.5
225.05659	0.7
225.09230	0.7
229.05078	2.1
241.05135	0.6
243.06625	0.8
247.06105	4.5
261.14990	1.8
265.05142	0.7
271.13449	1.8
279.10223	0.9
285.07721	0.5
287.12924	1.9
298.04416	0.8
299.04843	0.8
301.14478	2.2
313.07291	1.9
313.14764	0.5
325.10696	0.7
335.09296	1.0
351.12500	1.1
352.09058	2.0
353.09323	6.3
358.70642	0.6
363.19611	2.3
376.16815	1.4
391.19525	0.7
409.19873	0.6
419.18729	1.5
422.16492	1.0
437.19592	100.0
438.13586	0.7
438.19992	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	437.197
Annotation	Bonanniol B
Peak:m/z	Relative Intensity
59.01377	0.3
59.96239	0.2
62.15507	0.2
62.21276	0.2
68.99815	0.5
79.25899	0.2
81.03485	0.2
87.26083	0.2
107.05047	0.9
109.02963	3.2
122.03731	0.4
133.02943	0.2
134.03755	2.3
135.04538	100.0
136.04868	3.8
137.02437	0.4
145.02821	0.3
149.06143	0.2
161.02458	1.9
162.03339	0.3
171.08179	1.3
173.06030	0.5
174.06871	0.4
175.00371	0.2
175.04027	0.2
185.06044	0.3
187.07645	0.5
188.08391	0.6
189.05592	0.3
199.07721	0.5
200.04770	0.3
201.05627	0.3
203.03445	0.2
203.07199	0.4
213.09216	1.2
215.07126	1.9
216.07817	0.6
217.05084	0.4
217.08685	0.4
218.05850	0.6
225.09009	0.2
227.10756	0.3
228.07941	0.3
229.08714	0.6
231.06639	3.1
233.08334	0.3
239.07188	0.4
241.08722	0.8
241.12260	0.3
243.06636	4.7
243.10258	1.5
244.07008	0.5
251.10925	0.3
257.08279	0.5
259.09717	0.3
267.06665	0.8
271.09799	1.1
275.16534	0.3
285.07761	1.5
285.10855	0.4
286.12201	0.7
287.12659	0.2
301.14474	21.3
302.14841	2.1
315.16223	0.3
353.10623	0.2
356.69388	0.2
358.55081	0.3
368.12650	0.6
437.19760	18.4
437.26926	7.3
438.20099	2.6
438.27255	0.9
438.60846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.0
59.01375	4.3
66.52292	1.1
69.77711	6.7
71.05025	4.5
79.17799	1.3
86.45807	1.4
95.01368	3.3
97.06595	2.4
102.69355	1.1
107.05029	1.8
109.02979	1.9
119.05029	3.7
121.02927	2.1
123.00911	2.9
135.04536	15.0
137.02478	4.7
147.04564	2.6
149.06044	2.4
151.00435	2.7
152.19078	1.2
159.04550	1.4
165.01901	2.3
179.03564	1.5
187.07684	2.2
189.09113	1.3
207.10298	30.2
208.10551	2.3
212.08437	1.4
223.07564	3.2
225.09190	3.7
227.10773	1.9
233.11882	3.2
235.07709	2.8
237.09230	27.7
238.09772	6.2
239.10753	3.4
241.12335	4.5
251.10783	4.4
253.12370	15.7
277.05170	1.2
278.13147	2.7
279.13910	3.3
293.12177	2.5
293.15491	26.3
294.15714	2.3
295.13370	2.7
297.07614	3.1
301.10806	3.4
309.14941	16.5
310.15445	1.9
311.16541	57.1
312.16837	6.2
325.14273	6.1
326.14874	1.9
351.07263	1.3
351.14493	1.4
355.15527	100.0
356.15842	10.8
361.10583	4.0
375.12378	1.5
377.13669	27.6
378.13879	4.2
421.12827	1.2
437.15417	30.6
438.16034	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68266	1.0
50.84398	1.2
59.01396	1.0
71.55013	1.4
96.96007	1.0
99.92577	2.4
104.92697	0.9
107.05040	7.6
119.05024	1.8
128.46622	0.9
135.04538	31.5
136.04849	1.5
137.03163	1.0
210.06020	1.0
225.09203	11.2
226.10016	41.6
227.10364	3.2
233.03046	1.4
235.04697	1.5
239.10815	1.9
241.12358	60.7
242.12782	7.0
269.08093	2.1
293.15582	3.9
311.16550	2.1
324.05008	2.5
325.09436	1.4
340.08051	1.4
341.12518	3.8
351.07431	1.3
352.08264	1.3
355.15530	100.0
356.15878	14.7
367.10397	1.4
437.07736	1.9
437.14520	15.7
437.19879	5.3
438.07880	3.4
438.14728	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	437.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38012	1.7
59.01379	4.8
61.98844	1.6
65.00327	2.2
71.54857	1.9
71.55241	2.3
90.48721	1.8
99.92543	1.7
106.04282	3.3
108.02174	2.2
112.40113	1.8
119.05024	3.7
121.02988	2.1
124.02839	1.8
135.04533	15.8
136.01688	3.2
149.02452	4.1
149.06099	12.1
151.03993	2.8
151.94092	1.8
161.02438	1.9
163.00346	1.9
165.12862	1.8
167.03554	4.2
181.05106	2.0
190.10007	3.8
191.03578	2.6
202.66562	2.1
204.91493	1.8
205.12357	33.6
222.09003	2.7
241.08717	6.1
253.08717	2.5
269.04514	4.2
269.21124	3.9
275.06854	5.7
293.06741	3.0
297.07550	2.2
299.05551	3.5
303.12341	2.1
311.16669	23.1
312.16885	2.2
333.14716	4.6
345.24304	1.9
355.15543	100.0
356.15918	10.4
363.25409	2.9
377.13739	17.2
395.13776	2.2
427.01572	1.7
437.20160	39.5
438.14865	2.1
438.20236	4.1
441.78357	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01366	3.3
71.05040	4.7
71.55176	1.1
72.99290	0.8
83.01395	1.0
95.01344	1.0
96.95995	1.4
109.02956	0.8
117.03497	0.9
119.05029	1.4
121.02964	1.7
122.24917	0.9
123.00873	3.2
124.01631	3.9
131.73477	0.9
133.02968	4.6
134.03761	1.4
135.03633	1.3
135.04543	12.3
136.01614	1.1
137.02400	2.1
145.01410	2.2
147.04471	1.8
149.06059	1.4
152.01099	1.0
161.02420	1.6
165.01900	1.6
175.07596	1.1
187.07646	9.3
189.09174	3.5
196.59074	0.9
207.06882	1.0
207.10286	22.9
208.10602	1.5
209.11659	1.3
211.00661	1.0
215.10690	1.5
223.07631	1.4
225.09254	5.1
226.10054	5.2
233.11755	4.4
235.07581	1.7
237.09221	21.3
238.09914	6.1
239.10767	4.7
241.12349	11.5
252.07922	4.6
253.04776	1.0
253.08232	1.1
253.12291	9.4
264.81247	1.1
265.04935	1.3
277.12228	3.2
278.12924	3.5
279.13800	2.0
283.06177	1.2
291.13815	2.5
293.12277	1.5
293.15482	25.6
294.15704	3.6
295.13367	2.3
297.03903	4.2
298.04514	1.3
301.10861	1.6
309.03970	2.6
309.11545	1.3
309.14993	14.4
310.15189	1.0
311.05695	1.8
311.16544	54.1
312.05753	0.9
312.16934	6.9
325.14575	5.7
344.06516	1.0
355.15533	100.0
356.15845	10.7
377.13959	4.3
419.14926	1.3
422.17221	1.6
437.15692	34.9
438.16193	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	437.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
58.82664	1.0
59.01381	3.1
66.83757	1.2
71.05038	5.0
71.55064	1.8
71.81516	0.9
74.18241	1.0
95.01402	3.0
109.02942	1.3
112.65823	1.0
119.05054	2.3
121.02966	3.1
123.00880	6.2
124.79964	1.0
131.11343	1.0
133.02930	2.4
134.03712	1.3
135.04555	8.8
136.01677	2.2
137.02446	4.8
147.04549	1.3
150.03214	1.0
160.05435	1.3
161.02489	1.8
161.06039	2.0
163.00316	1.6
163.07686	1.0
165.01917	3.4
175.07617	1.8
179.03499	1.6
187.07645	1.9
189.01785	1.2
207.10266	39.3
208.10550	1.6
210.07039	1.1
212.08386	1.2
215.10698	2.0
223.07614	2.0
225.09274	3.4
226.09995	2.7
227.10817	1.2
233.11885	3.6
235.07652	3.0
237.09222	31.8
238.09975	9.6
239.10706	3.7
241.12299	3.3
251.10861	2.4
252.08055	1.4
253.12338	16.5
254.12836	1.4
267.10403	1.2
275.14685	1.1
277.12305	1.4
278.13162	3.1
279.13837	2.7
293.12253	1.6
293.15491	28.7
294.15714	2.8
295.13388	2.9
297.07727	1.9
301.11057	1.2
309.14996	17.9
310.15234	2.1
311.16556	57.8
312.16953	6.9
325.14532	6.5
355.15546	100.0
356.15796	11.4
361.10730	3.7
377.13724	31.4
378.14117	3.0
393.16351	1.9
421.12677	2.5
437.15076	24.4
437.20834	1.5
438.15424	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	437.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92246	0.5
55.01871	2.8
57.03445	2.3
58.00610	0.8
59.01386	26.6
69.03458	0.9
71.01388	26.8
71.55321	0.9
72.99306	1.0
73.02958	12.5
75.00876	1.1
82.03011	3.4
83.01389	5.1
85.02958	13.5
87.00886	2.3
89.02454	9.2
89.29324	0.7
94.02982	1.1
95.01381	1.4
96.04556	3.0
97.02967	1.9
99.00887	6.2
101.01797	1.3
101.02456	22.4
111.00889	0.7
111.08149	2.6
113.02463	8.2
119.03513	1.4
120.04579	1.1
122.03752	3.6
122.06115	1.7
125.02477	2.3
131.03531	1.7
136.04030	1.5
138.05623	100.0
139.05977	4.0
143.03484	2.0
143.10753	1.2
149.02379	0.9
149.04572	2.5
150.03180	0.8
159.03023	2.0
161.04562	12.0
165.05522	0.8
166.02705	1.0
173.08205	2.7
176.01285	0.7
178.08636	0.7
181.05099	2.1
188.07091	0.8
190.08740	0.9
193.04997	0.7
195.06644	0.9
201.11382	3.1
212.76102	0.7
216.10257	0.9
218.06952	1.9
218.11897	1.6
233.06793	1.8
233.09354	4.4
244.09964	0.9
245.09438	1.0
261.12430	11.0
271.08469	0.7
287.10428	1.7
305.11499	48.9
305.16107	30.5
305.19180	1.5
306.11801	4.9
306.16388	2.4
377.21979	1.2
395.22818	0.8
437.09540	1.3
437.15717	2.6
437.20432	28.9
438.20596	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	437.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92246	0.5
55.01871	2.8
57.03445	2.3
58.00610	0.8
59.01386	26.6
69.03458	0.9
71.01388	26.8
71.55321	0.9
72.99306	1.0
73.02958	12.5
75.00876	1.1
82.03011	3.4
83.01389	5.1
85.02958	13.5
87.00886	2.3
89.02454	9.2
89.29324	0.7
94.02982	1.1
95.01381	1.4
96.04556	3.0
97.02967	1.9
99.00887	6.2
101.01797	1.3
101.02456	22.4
111.00889	0.7
111.08149	2.6
113.02463	8.2
119.03513	1.4
120.04579	1.1
122.03752	3.6
122.06115	1.7
125.02477	2.3
131.03531	1.7
136.04030	1.5
138.05623	100.0
139.05977	4.0
143.03484	2.0
143.10753	1.2
149.02379	0.9
149.04572	2.5
150.03180	0.8
159.03023	2.0
161.04562	12.0
165.05522	0.8
166.02705	1.0
173.08205	2.7
176.01285	0.7
178.08636	0.7
181.05099	2.1
188.07091	0.8
190.08740	0.9
193.04997	0.7
195.06644	0.9
201.11382	3.1
212.76102	0.7
216.10257	0.9
218.06952	1.9
218.11897	1.6
233.06793	1.8
233.09354	4.4
244.09964	0.9
245.09438	1.0
261.12430	11.0
271.08469	0.7
287.10428	1.7
305.11499	48.9
305.16107	30.5
305.19180	1.5
306.11801	4.9
306.16388	2.4
377.21979	1.2
395.22818	0.8
437.09540	1.3
437.15717	2.6
437.20432	28.9
438.20596	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	435.2545
Annotation	Grevirobstol C
Peak:m/z	Relative Intensity
59.01379	4.4
59.50760	0.9
69.71149	1.0
71.54493	1.5
96.95996	1.6
98.99226	1.0
122.09183	1.1
129.07057	1.1
135.04564	1.8
148.01619	1.5
157.06601	1.5
162.03244	2.5
171.08191	15.3
172.08435	1.2
173.06126	2.2
174.06796	1.5
175.04028	2.4
175.07738	1.4
185.06133	2.3
187.07686	2.7
188.08469	9.2
201.05582	2.8
213.05565	1.6
215.07135	18.1
216.07916	10.4
223.73622	1.2
435.19208	3.4
435.25415	100.0
436.19705	1.9
436.25803	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	436.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82827	0.3
58.42828	0.3
59.01384	3.9
59.29532	0.3
61.98835	100.0
69.41187	3.2
71.01378	0.9
71.05032	0.8
73.02959	0.5
75.00871	1.1
85.02965	1.2
94.06690	0.5
99.00887	0.7
101.02472	0.4
104.05075	0.9
107.03841	0.8
108.04558	1.6
113.02464	0.9
115.07663	1.1
116.25199	0.4
122.06147	5.8
123.25501	0.4
132.04565	13.6
133.05049	0.4
134.06158	0.8
147.03165	0.4
148.04047	1.2
152.07185	19.0
153.07494	0.4
176.03549	2.8
208.06123	0.9
228.73833	0.4
267.07199	0.9
268.07629	1.0
269.13113	1.2
273.12485	1.7
297.12466	7.3
298.12744	0.8
304.22006	0.5
313.11990	1.3
341.11426	21.3
342.11838	2.4
373.14050	20.7
374.14664	2.5
377.29205	0.4
436.19485	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	435.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17794	0.3
55.35099	0.3
57.03449	0.7
59.01384	100.0
60.01730	1.6
68.99823	0.5
69.03462	0.5
69.48037	2.3
71.01387	6.2
72.99319	1.2
73.02946	1.4
75.00876	4.3
78.13778	0.4
81.03479	0.3
83.01372	0.6
85.02959	6.3
87.00895	2.1
87.04525	2.5
89.02462	1.6
93.03468	0.4
95.01406	1.2
95.60529	0.3
98.20663	0.7
99.00876	2.9
101.02433	1.1
101.16846	0.3
103.00373	0.8
113.01721	0.7
113.02450	7.2
115.00350	0.7
117.01920	1.1
119.05013	0.4
129.01929	0.5
138.03093	0.4
161.04453	0.4
167.03448	0.6
167.10706	0.6
175.02397	0.7
185.11812	4.1
205.07056	0.7
214.38414	0.3
229.08588	1.1
231.04936	1.1
249.06152	14.6
250.06410	1.1
255.06345	0.5
267.07236	3.1
273.07709	0.8
273.12354	0.4
291.07117	0.5
303.21655	0.7
309.08310	4.0
310.08484	0.4
333.18994	0.7
393.24866	0.5
417.17178	1.1
435.18259	15.2
436.18878	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	435.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
57.03456	11.7
59.01384	43.7
60.01705	0.6
61.98833	1.4
64.07237	0.6
71.01008	1.2
71.01388	14.7
71.02940	1.1
73.02959	5.7
83.01387	2.2
85.02954	10.2
87.00908	1.5
87.04522	40.3
88.04910	0.9
89.02467	3.0
95.01401	2.3
96.08525	0.7
99.00877	2.3
101.02447	4.5
103.04021	100.0
104.04362	2.2
113.02470	10.6
136.05336	0.8
137.02533	0.8
137.77791	0.6
143.03511	0.7
149.06004	0.8
151.07642	2.3
152.08406	8.4
161.04607	1.3
191.03529	1.0
203.10760	1.5
211.17140	0.9
217.12355	1.7
227.07426	0.7
229.08772	0.9
255.16039	1.3
273.18668	1.3
303.18201	1.0
307.17715	1.1
320.07028	0.7
435.07208	2.0
435.13074	2.0
435.23761	13.1
436.24167	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.218
Annotation	Brevione F
Peak:m/z	Relative Intensity
53.23651	1.9
59.01384	10.0
61.98775	2.7
62.09974	1.9
71.54668	4.1
93.03477	2.4
96.95989	3.1
107.05035	8.4
107.32561	2.3
108.02175	11.0
111.57142	1.9
119.05061	3.8
121.02970	3.1
123.04533	14.5
134.03770	2.5
135.04549	28.5
145.06606	2.9
147.49438	2.0
157.06573	4.0
159.04485	5.0
161.02475	3.5
170.07336	5.2
174.03207	3.6
175.04007	37.2
177.12943	2.9
189.09177	4.0
199.03810	2.5
199.07626	3.3
211.07602	3.0
212.08344	2.6
213.09145	4.6
225.09244	22.3
226.09964	12.7
237.09349	3.0
251.07112	2.3
252.07898	4.9
253.08853	2.4
261.12793	6.1
263.10779	4.6
265.08685	9.6
266.09567	12.3
267.10205	8.9
268.11032	4.8
279.10291	5.0
279.13638	2.9
285.14810	2.5
289.12280	5.6
305.11911	10.4
333.11252	2.3
347.20026	2.3
349.17673	4.1
349.21710	45.3
350.22095	6.7
353.17673	4.0
373.21719	4.6
375.19620	3.6
376.20001	2.6
391.22803	65.9
392.22998	8.2
417.20737	100.0
418.21054	18.5
435.22574	67.9
436.22974	10.7
453.29010	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	435.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19506	1.0
55.01874	1.6
57.03454	12.1
59.01386	56.8
60.54712	0.8
61.98826	2.8
62.52554	0.9
64.39126	0.8
66.77029	0.9
71.01387	17.5
73.02950	8.7
75.00864	1.2
83.01420	1.7
85.02965	9.9
87.00903	1.9
87.04524	100.0
88.04851	1.8
89.02460	3.7
95.01424	1.8
97.73316	0.9
99.00898	2.0
101.02463	4.9
103.04020	99.1
104.04388	1.2
113.02460	12.0
136.05293	1.3
151.07643	2.7
152.07339	1.2
152.08434	6.8
161.04594	2.1
191.45149	1.1
193.15962	1.1
211.16974	1.7
217.12450	1.6
255.16058	2.6
272.06876	1.1
291.19489	1.3
303.18213	1.7
305.16281	1.6
347.99088	1.2
435.07129	2.6
435.12732	1.3
435.23819	12.2
436.24023	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	435.2177
Annotation	Arisugacin G
Peak:m/z	Relative Intensity
57.03474	1.0
58.02311	1.0
59.01399	2.2
61.45415	0.9
70.03887	1.7
70.04308	2.8
81.03460	14.2
85.95188	0.9
87.82256	0.9
89.82355	0.9
91.82284	0.9
93.03433	1.0
95.01390	1.2
95.51850	0.9
96.96041	1.4
107.05014	3.3
108.02147	1.6
109.02979	1.1
119.05004	1.0
122.03749	19.3
123.04590	5.3
125.02431	3.7
135.04530	10.3
136.05313	3.2
137.02478	3.2
145.96928	1.0
146.03781	2.5
148.05322	5.8
152.99564	1.5
159.04547	1.5
175.07588	2.9
177.12877	1.4
178.45647	0.9
187.22223	1.0
195.08116	1.2
199.07768	1.1
213.09169	2.1
225.09230	1.3
231.17561	3.9
257.08179	2.1
259.17020	61.0
260.17267	4.9
267.10220	5.8
268.10974	1.0
282.16214	5.4
285.15015	1.1
331.20734	3.5
373.21875	1.9
374.21921	1.0
391.22815	29.8
391.27725	1.9
392.23013	4.7
417.20761	20.6
418.21140	4.5
435.21835	100.0
436.22144	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	435.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77148	0.8
59.01382	2.5
69.34458	8.2
82.00201	0.8
95.04998	1.0
96.96008	1.0
107.05038	3.8
108.02187	2.2
119.05032	3.1
121.02976	2.2
121.06580	2.2
122.03745	2.6
133.03026	1.1
135.04507	8.2
147.04564	1.5
148.01648	1.1
148.05290	2.6
149.02444	1.7
149.06110	13.4
159.04495	2.7
161.02521	1.1
161.06110	3.9
163.00378	1.2
173.06125	1.7
175.03975	2.7
175.07674	1.3
177.05574	1.5
177.12808	2.2
185.09737	1.7
188.01143	3.3
189.09247	1.8
201.01917	2.2
203.10789	7.4
211.07680	1.5
213.05663	1.4
213.09174	7.1
217.08820	1.1
225.05545	2.9
225.09105	5.1
226.10008	11.3
227.03448	3.0
227.10725	3.2
229.08659	1.5
231.02904	1.0
231.10182	1.4
236.08578	1.3
237.09050	1.2
239.10854	7.2
240.11519	5.5
241.05139	4.5
241.12279	1.2
242.05807	2.5
243.06648	2.3
249.09464	1.1
251.10829	2.5
253.05077	6.1
253.08467	1.1
254.09564	4.7
257.08109	1.4
265.08786	1.0
279.10632	0.9
279.13965	4.2
283.09705	7.8
284.06848	1.2
295.09747	2.7
296.03275	2.0
297.03973	3.3
298.04846	1.6
305.08041	1.6
307.09799	1.3
308.03311	1.8
309.04105	14.1
309.07507	1.0
310.04465	1.7
311.05960	1.2
319.20496	2.2
323.05966	1.5
323.09317	7.2
333.07681	3.1
335.05582	1.4
336.06622	2.0
338.08344	1.3
347.20062	2.3
350.07941	1.3
351.08768	100.0
352.09161	11.2
363.23322	16.0
364.23813	1.8
373.21823	3.3
375.20120	2.1
389.21231	1.5
391.22784	19.9
392.23038	3.5
417.20746	33.2
418.21182	5.7
420.15829	18.8
421.16269	2.5
435.17911	98.3
435.22128	85.4
436.18231	14.6
436.22470	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	435.1812
Annotation	Ligulacephalin A
Peak:m/z	Relative Intensity
56.21470	0.6
59.01385	3.9
70.13035	1.9
71.75472	0.6
74.77583	0.7
96.96032	1.3
119.05082	0.8
123.04501	0.7
133.02972	0.8
147.16673	0.7
160.01660	1.0
188.01138	4.6
200.01138	1.8
201.02014	0.7
213.09128	0.8
223.42972	0.7
225.05527	2.5
227.03462	1.0
237.05496	2.3
241.05022	1.0
241.08658	0.9
242.05736	1.1
252.04199	0.7
253.05115	3.9
268.07315	0.8
280.03735	1.7
281.04581	5.5
282.05142	2.2
292.03854	2.2
293.04556	13.3
294.05035	1.9
295.06058	2.9
296.06952	4.7
307.06351	3.2
307.09521	0.9
320.06897	0.9
321.07526	1.2
322.08487	0.9
328.05920	7.5
329.06326	0.9
333.07779	0.8
335.09253	8.0
336.09961	1.2
349.10693	4.4
403.15536	2.3
417.20496	0.8
420.15811	18.8
421.16156	2.5
435.18073	100.0
436.18402	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	435.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
59.68822	0.3
61.82264	0.3
69.22520	2.6
69.22940	0.9
71.98917	0.3
83.16871	0.3
93.03477	0.4
98.19875	0.7
106.73135	0.3
108.02183	0.3
108.64989	0.3
121.02961	1.0
123.04470	0.4
133.03003	2.0
135.04549	1.1
148.01613	0.4
149.02448	1.4
151.04037	0.4
157.06583	0.4
158.03654	0.4
159.04489	0.7
161.02423	0.4
163.00423	0.5
171.04451	0.4
173.06059	2.4
174.06796	0.5
175.03972	0.5
183.04529	0.6
197.06087	1.1
199.04025	1.0
201.01962	1.1
201.05373	0.6
204.91536	0.3
213.05583	0.5
214.06371	0.4
215.03473	0.9
217.05080	0.9
224.04800	0.5
225.05530	1.4
227.03540	1.9
228.04286	0.4
229.05113	0.6
237.09335	0.4
241.05101	1.4
242.05757	0.7
243.06612	1.5
253.05034	1.8
261.98013	0.3
263.07159	0.4
265.05002	0.4
267.03098	0.7
268.03897	0.6
269.04642	2.1
277.05035	0.4
279.03043	0.6
281.04739	0.6
282.05197	0.8
283.09814	1.0
289.08701	0.6
291.06628	1.0
295.02515	1.2
295.09729	0.7
296.03201	1.4
297.04068	12.6
298.04700	1.4
305.08197	0.4
307.06244	0.8
307.09686	0.7
308.03378	0.4
309.04071	8.5
309.07465	0.5
310.04520	1.1
321.03998	1.3
323.09161	0.7
333.07645	1.2
334.08191	0.5
335.05600	1.2
336.06277	2.0
337.07126	0.8
338.08127	0.5
344.05359	0.6
350.07935	0.8
351.08755	65.0
352.09091	8.4
377.10352	0.4
420.15826	11.1
421.16302	1.8
435.18134	100.0
436.18491	15.1
436.24698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	24.5
59.01388	14.2
61.98837	3.3
69.24233	12.5
69.24646	6.0
96.27415	2.3
96.96024	6.5
97.02737	9.0
97.06595	2.7
104.66843	2.2
108.02187	9.4
119.05032	3.8
121.02940	2.2
125.02468	2.2
130.04257	5.9
132.02211	2.7
135.00900	8.7
136.01735	2.4
145.02959	19.5
147.04532	46.8
151.00374	3.3
161.02473	3.8
161.06058	2.1
163.00403	7.2
165.05565	2.3
167.03564	1.9
171.77551	2.3
173.06056	4.1
174.03229	4.5
175.04008	6.3
179.03558	2.5
187.07655	35.2
190.06389	3.8
191.03455	12.2
195.01186	1.9
199.07712	7.8
206.05846	2.4
213.09180	11.0
217.05077	8.7
217.98682	2.4
221.09683	21.4
225.09190	4.5
235.07619	25.6
236.08443	13.4
237.09042	3.4
239.03456	5.0
249.09293	20.5
250.06317	8.7
251.10736	35.2
252.11142	4.1
255.10321	3.6
259.11194	2.5
261.12909	15.8
265.08691	31.8
266.09235	6.7
267.03061	4.7
268.07516	3.5
275.10782	20.9
276.11304	7.6
282.05371	17.7
283.05814	3.1
289.08591	3.6
290.09543	2.7
291.13913	100.0
292.14218	11.1
293.08316	4.5
294.08368	2.2
295.09842	9.8
295.12860	2.0
305.11899	23.9
306.12363	3.7
307.13428	7.9
308.10477	2.8
309.14902	6.7
315.12430	5.6
317.08081	4.1
323.12903	53.5
324.13257	7.5
335.08478	4.3
335.12936	9.7
346.86987	2.2
351.11279	6.4
353.13968	87.6
354.14249	11.4
359.50974	2.1
375.12167	78.1
376.12503	9.4
377.08862	13.5
435.13742	32.7
436.13974	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	435.1294
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
57.03450	1.1
59.01386	91.7
60.01720	5.7
61.01813	6.5
61.93996	0.8
61.98830	1.6
67.98254	0.8
69.36588	3.9
69.37021	2.9
71.01389	7.6
72.99323	0.9
73.02953	3.5
75.00874	2.3
84.46087	0.8
85.02955	2.6
89.02449	3.1
93.03472	1.1
98.20617	1.4
100.02178	0.9
101.02470	3.1
107.05045	40.6
108.05370	1.4
109.02953	1.5
113.02475	3.2
121.02966	19.1
122.03761	27.1
122.04652	1.3
124.01672	2.8
133.02968	1.3
135.04530	1.2
137.02415	4.9
148.05351	1.5
150.03244	5.7
151.04036	5.4
154.02715	2.7
161.04605	1.7
163.03912	0.8
163.07640	1.0
163.20470	0.8
175.04031	1.0
182.02235	6.2
187.07616	0.9
209.06049	1.9
210.06889	1.0
211.07692	3.7
213.09314	1.6
227.07178	1.9
229.08716	63.0
230.09015	4.9
255.06741	4.7
257.17267	0.8
272.06940	2.9
273.07700	39.1
274.08054	5.0
301.20093	1.2
303.21756	15.5
304.22260	1.1
375.24054	1.4
435.13022	100.0
436.13300	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	435.1296
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
50.55331	0.7
55.88858	0.8
57.03454	1.2
58.53508	0.7
59.01384	61.6
60.01712	4.5
61.01802	5.9
61.98829	1.0
71.01391	5.5
71.05116	0.8
71.31546	1.2
73.02957	3.6
75.00850	1.0
83.01390	1.4
85.02959	1.9
86.03278	0.9
87.04518	0.9
89.02438	2.1
93.03437	1.9
99.00871	0.9
101.02434	2.7
104.70296	0.8
107.05042	42.2
108.02216	0.9
108.05374	2.0
113.02471	2.1
119.03496	1.0
121.02971	21.2
122.03762	30.3
124.01614	2.0
126.19810	0.8
131.05014	1.4
133.02991	1.0
135.04544	1.2
137.02467	3.7
148.05333	0.9
150.03215	4.9
151.04008	2.8
154.02756	3.7
161.04626	1.0
163.07661	0.8
165.02025	0.9
168.98051	0.7
182.02263	5.4
197.48836	0.7
199.13304	0.9
209.06050	3.2
211.07545	4.1
212.08017	0.8
218.60602	0.7
227.07175	3.5
229.08711	61.8
230.09026	5.7
255.06686	5.2
271.09760	1.5
272.06808	1.9
273.07715	37.8
274.08102	4.1
303.21765	9.3
315.08737	2.5
344.92267	0.8
364.87860	0.9
375.24011	2.1
393.24884	0.8
435.12985	100.0
436.13290	14.8
436.18817	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	435.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55331	0.7
55.88858	0.8
57.03454	1.2
58.53508	0.7
59.01384	61.6
60.01712	4.5
61.01802	5.9
61.98829	1.0
71.01391	5.5
71.05116	0.8
71.31546	1.2
73.02957	3.6
75.00850	1.0
83.01390	1.4
85.02959	1.9
86.03278	0.9
87.04518	0.9
89.02438	2.1
93.03437	1.9
99.00871	0.9
101.02434	2.7
104.70296	0.8
107.05042	42.2
108.02216	0.9
108.05374	2.0
113.02471	2.1
119.03496	1.0
121.02971	21.2
122.03762	30.3
124.01614	2.0
126.19810	0.8
131.05014	1.4
133.02991	1.0
135.04544	1.2
137.02467	3.7
148.05333	0.9
150.03215	4.9
151.04008	2.8
154.02756	3.7
161.04626	1.0
163.07661	0.8
165.02025	0.9
168.98051	0.7
182.02263	5.4
197.48836	0.7
199.13304	0.9
209.06050	3.2
211.07545	4.1
212.08017	0.8
218.60602	0.7
227.07175	3.5
229.08711	61.8
230.09026	5.7
255.06686	5.2
271.09760	1.5
272.06808	1.9
273.07715	37.8
274.08102	4.1
303.21765	9.3
315.08737	2.5
344.92267	0.8
364.87860	0.9
375.24011	2.1
393.24884	0.8
435.12985	100.0
436.13290	14.8
436.18817	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	434.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
56.98534	0.3
57.03446	1.1
59.01383	100.0
60.01715	10.6
61.01809	0.9
69.43182	2.8
71.01382	5.8
72.01719	0.8
72.99329	0.4
73.02958	1.9
79.89392	0.3
81.03459	0.5
82.24273	0.3
83.01406	1.6
85.02958	3.6
86.03299	0.9
87.04520	4.9
89.02456	2.1
94.32419	0.3
95.01408	0.5
97.58524	0.3
99.00859	0.6
101.02452	3.9
102.02794	0.9
113.02469	3.4
114.02787	0.7
119.03513	0.5
123.04543	0.5
135.00958	0.4
135.04570	0.6
155.53867	0.4
161.04620	1.3
162.04982	0.4
210.85077	0.4
229.08783	0.5
229.18106	1.0
230.18521	1.3
249.06256	1.3
254.14854	0.5
272.06442	0.6
273.07809	0.4
303.21738	1.7
305.15729	0.4
309.08206	0.5
312.06186	0.6
314.06543	0.5
336.17642	1.2
373.22528	1.0
374.22729	5.7
375.23288	0.7
391.23563	0.8
392.23761	5.8
393.24399	0.6
400.62439	0.3
404.46005	0.4
434.10968	1.0
435.18674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03437	5.1
58.00587	1.8
58.02965	6.0
59.01384	53.4
61.98825	2.7
68.99795	3.5
69.03445	4.0
69.58831	3.4
69.59258	5.8
71.01388	44.2
72.99322	9.4
73.02929	3.2
75.00880	24.7
81.03476	2.5
83.01379	2.0
84.04529	3.4
85.02958	27.0
87.00890	13.5
89.02458	18.7
91.03978	2.4
93.03452	1.9
95.01395	6.3
96.96035	12.2
97.01698	1.5
97.02958	1.6
98.19901	2.5
98.79167	1.3
99.00893	17.1
100.80833	1.4
101.02445	5.4
103.00375	2.3
110.02475	4.2
111.00881	1.9
111.04536	2.6
112.04062	37.2
113.02466	40.5
115.00382	4.5
115.04000	1.4
117.01959	3.7
119.03504	2.2
122.06110	3.9
124.03223	2.4
124.04056	31.2
125.47085	1.3
126.05610	2.7
129.01924	1.7
132.97523	1.4
138.05646	1.9
140.07202	13.8
143.08269	3.3
149.04549	3.0
157.01376	2.0
166.05112	36.2
167.03349	1.3
173.95091	1.4
175.02544	6.9
176.02823	2.0
179.05600	1.8
180.04868	2.1
184.06169	45.0
185.06531	2.3
185.09351	9.2
218.64253	1.5
231.05145	4.2
249.06169	87.0
250.06462	2.5
258.09702	2.3
267.07224	51.1
268.07419	3.4
275.84116	1.5
376.12650	1.7
395.70190	1.5
416.11737	1.7
434.13007	100.0
435.15414	10.8
443.37659	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	434.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60126	2.3
59.01385	19.3
60.26091	2.7
61.98837	100.0
69.64638	13.2
69.65051	4.8
71.01384	4.1
71.60789	2.5
85.02962	4.1
96.96021	6.0
98.20690	2.7
133.53674	3.0
202.32863	2.8
217.01398	6.4
218.01756	6.3
266.73196	3.0
385.92398	3.0
390.10706	4.2
416.08548	10.9
434.09940	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	433.2596
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.39144	0.3
56.02741	0.4
58.20288	0.5
59.01387	4.4
61.98843	0.4
70.10184	1.8
74.25491	0.4
95.75417	0.4
96.96011	0.9
98.19940	0.5
99.20631	0.3
114.17876	0.4
117.03484	17.2
118.03828	0.6
119.05042	26.8
120.05411	0.9
121.02972	1.7
123.04562	0.7
134.41472	0.3
136.22583	0.3
136.68768	0.4
136.80962	0.4
145.02971	100.0
146.03307	4.1
157.86337	0.8
163.04027	18.2
164.04372	0.6
179.14676	0.5
186.95699	0.4
192.95908	0.6
202.21323	0.4
243.78870	0.4
254.02341	0.8
269.04559	0.5
269.21396	1.5
285.06897	0.5
287.22302	7.9
288.22556	0.6
297.04108	0.9
300.02667	0.5
302.61835	0.5
313.06122	0.8
326.04248	0.8
342.20944	0.4
343.07089	0.5
371.60956	0.5
415.24573	1.0
433.10428	0.8
433.17172	1.9
433.25952	36.2
434.26337	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	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03412	0.5
55.01867	0.5
59.01385	100.0
60.01719	2.4
65.00343	0.8
69.03464	0.7
69.64812	2.8
70.24383	0.5
71.01388	8.2
72.99306	0.7
73.02959	1.8
75.00880	0.7
83.01379	1.2
85.02947	2.7
86.56374	0.5
87.00893	0.8
89.02459	4.1
93.03473	1.1
95.01409	0.8
96.96030	0.7
97.02991	0.6
99.00896	0.8
99.04541	0.6
99.69373	0.4
101.02439	5.6
107.01355	1.1
108.02140	0.5
109.02996	1.0
109.26862	0.4
113.02466	3.6
119.03572	1.4
119.05025	4.5
121.02960	0.8
125.02513	1.8
137.02507	0.7
149.02475	0.9
149.04538	0.6
151.00420	1.8
161.04616	2.2
165.01944	1.0
165.04111	0.5
183.10229	0.5
185.06178	1.0
193.01468	3.1
199.11668	0.5
220.71414	0.5
227.07140	10.1
228.07637	0.7
253.14453	3.4
267.07410	1.0
271.06049	2.6
313.07193	11.4
314.07831	1.0
343.08395	2.6
346.93484	0.5
391.23734	1.2
433.11652	3.9
433.16513	0.8
433.24713	2.0
434.12146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01007	0.3
55.01884	0.7
57.03445	0.9
58.00616	0.3
58.32465	0.3
59.01384	100.0
60.01730	1.3
65.00338	0.9
69.03446	0.3
71.01385	6.7
71.05025	0.3
71.55000	0.5
72.99332	0.6
73.02953	2.0
75.00894	0.4
83.01414	1.0
85.02953	2.5
87.00908	0.8
89.02451	3.2
93.03483	0.8
95.01398	0.7
97.02943	0.7
99.00892	0.7
101.02449	4.4
107.01355	0.7
109.02953	0.7
113.02455	3.3
119.03544	1.1
119.05035	4.4
121.02986	0.8
125.02422	1.9
125.06151	0.3
135.04559	0.4
137.02477	0.5
139.07837	0.4
143.03552	0.3
143.05028	0.5
148.23131	0.3
149.02486	0.9
151.00385	1.6
161.04605	1.9
163.00429	0.7
164.01132	0.4
165.01950	1.3
167.03534	0.6
179.03503	0.6
179.05673	0.6
185.06094	0.5
187.04057	0.4
193.01440	3.1
223.02527	0.3
227.07135	7.7
228.07503	0.7
249.06247	0.4
253.14407	2.2
267.07327	0.7
271.06143	1.5
285.13495	0.7
285.17151	1.1
301.16763	0.8
313.07175	11.8
314.07660	1.1
343.08328	2.4
373.22440	0.4
391.23361	1.4
433.11539	4.1
433.20505	0.9
433.24756	1.4
434.11823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08899	0.2
59.01384	100.0
60.01719	0.8
69.09309	0.3
69.31448	0.7
69.31868	1.7
71.01385	4.4
73.02964	1.1
83.01386	0.5
85.02958	2.0
87.00930	0.4
89.02447	3.4
95.01384	0.4
99.00938	0.3
101.02464	2.6
113.02453	1.8
119.03510	1.3
122.06167	0.9
126.21825	0.3
137.02452	0.5
143.03503	0.5
155.56538	0.3
161.04639	1.0
178.99767	0.3
179.05603	0.5
184.06171	0.3
209.11798	0.3
214.33661	0.3
227.07253	0.4
229.08832	0.5
243.03136	0.4
253.05110	0.5
255.03099	1.1
269.14093	0.6
271.02573	1.9
271.05505	0.4
286.69949	0.3
286.91190	0.3
300.02756	4.0
301.03546	2.2
331.17502	0.4
343.07007	0.3
373.22540	0.8
391.23459	1.9
433.07434	2.0
433.20135	0.5
433.25098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69746	0.3
55.77305	0.3
57.03448	0.9
59.01385	100.0
60.01728	1.9
61.01818	0.7
65.00349	0.6
69.51662	1.9
69.52068	0.5
71.01389	5.0
72.01723	0.4
72.99317	0.6
73.02966	2.5
74.03279	0.3
75.00896	1.0
81.03487	1.3
83.01391	1.5
83.05033	0.5
83.62287	0.3
84.43562	0.3
85.02954	2.0
89.02472	2.4
91.01909	0.6
93.03448	0.5
95.01429	0.9
98.14690	0.3
98.20631	0.4
99.00888	0.6
101.02449	3.7
107.01429	1.0
109.02954	0.8
113.02444	3.4
119.03532	0.7
121.02986	1.4
122.03256	0.3
123.04532	6.1
123.05396	0.4
125.02452	0.4
135.00917	1.7
135.04539	3.1
143.03534	0.4
143.04974	0.3
145.03021	0.8
148.01730	0.5
149.02444	2.5
149.04570	0.4
150.02861	0.3
151.00363	2.6
153.02042	0.6
161.04610	0.9
161.06122	0.4
163.00418	0.7
178.99921	0.6
179.05608	0.4
179.48004	0.3
183.10370	0.7
199.04135	0.4
227.03586	0.7
229.05078	6.5
229.08600	2.2
230.05428	0.5
241.14478	0.5
243.02969	1.6
249.06239	1.1
253.04976	0.4
255.02971	3.6
256.03360	0.4
267.07239	1.0
269.04391	0.5
270.04791	0.9
271.02631	8.1
271.06177	5.2
272.03058	0.6
272.06564	0.3
283.06253	0.4
284.06509	0.4
285.06866	0.9
300.02768	13.5
301.03503	9.7
301.06787	0.4
302.03967	0.9
311.05655	0.7
312.06070	0.7
313.06107	1.6
315.18170	0.4
343.07349	0.3
364.08563	0.3
373.12930	0.8
373.22055	0.4
391.22855	0.4
433.08200	5.2
433.16702	2.0
433.24686	1.0
434.08133	0.7
443.71301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91296	0.4
59.01385	100.0
59.11735	0.4
60.01717	1.7
62.40236	0.4
63.61169	0.4
63.67336	0.4
65.52335	0.5
70.82847	1.3
70.83205	0.4
71.01384	4.3
72.69037	0.5
72.99316	0.5
73.02956	1.4
83.01373	0.5
85.02959	1.7
86.40535	0.4
87.00901	0.5
89.02466	3.1
94.06678	0.6
95.01456	0.7
101.02458	3.0
109.02970	0.6
113.02478	1.8
119.03539	1.0
122.06115	4.4
140.55978	0.4
150.09282	1.5
151.00421	1.3
161.04636	1.0
166.05177	1.0
178.08820	1.7
178.99948	0.7
184.06195	1.8
185.06123	0.7
200.43680	0.5
209.06168	1.0
210.04155	0.7
227.07124	3.4
229.08713	0.9
237.49905	0.5
243.03029	1.7
253.05128	1.9
255.02997	4.7
271.02600	8.6
271.06152	2.3
272.03000	0.8
284.06573	0.5
285.06802	0.6
300.02762	17.2
300.06076	0.9
301.03476	6.4
301.15903	1.5
302.03809	0.5
313.06448	0.8
373.18396	0.5
391.23654	0.6
433.07388	8.1
433.24869	0.7
434.07996	1.1
452.73093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
59.01385	100.0
60.01717	1.0
62.10535	0.4
69.68228	3.1
71.01393	6.7
73.02955	2.5
83.01399	1.9
85.02962	2.8
87.00912	0.7
89.02465	1.9
92.36073	0.5
95.01421	0.6
99.00882	0.7
100.12036	0.6
101.02453	4.7
101.52041	0.5
113.02440	2.3
119.03529	0.6
131.03572	1.1
138.03227	0.7
161.04594	2.8
168.85429	0.5
213.09361	0.7
221.06737	2.3
229.08691	0.9
255.91402	0.5
331.17667	3.5
373.18784	0.7
390.21713	1.2
412.21036	0.6
433.21814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2021
Annotation	CHEMBL516860
Peak:m/z	Relative Intensity
59.01162	1.3
59.01387	17.0
68.71345	1.3
71.01389	2.3
71.55378	1.7
77.83920	1.4
78.95910	7.7
87.64098	1.4
91.02277	1.4
92.76373	1.3
93.11371	1.4
94.86567	1.4
96.96039	2.3
101.02468	1.5
107.56547	1.3
109.06625	1.7
117.03532	1.8
119.05032	1.6
129.15283	1.4
152.99576	15.0
159.04503	2.7
161.02475	1.4
173.02443	1.6
175.03964	4.0
183.08171	2.3
187.04048	2.9
201.09305	2.1
211.07640	2.9
223.07637	17.8
224.08405	4.7
225.09111	2.7
229.08684	6.3
235.07759	1.7
237.09200	20.3
238.09863	4.8
239.10751	2.4
249.09129	3.1
252.07950	4.5
262.00519	1.6
265.21875	7.0
271.02643	1.7
277.12384	4.2
291.06479	2.9
295.17181	3.1
346.12067	3.6
361.21765	16.6
362.22192	2.5
389.21176	39.9
390.21606	6.5
391.19034	3.0
415.19177	14.6
416.19473	2.6
433.20224	100.0
434.20483	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	433.2023
Annotation	CHEMBL516860
Peak:m/z	Relative Intensity
50.32167	0.8
59.01390	10.7
69.80713	0.6
71.01388	0.8
90.27170	0.8
93.03455	1.1
96.96021	1.3
98.14230	0.7
104.68574	0.8
107.05071	1.8
119.05013	2.4
140.31302	0.7
144.61552	0.7
145.02983	0.9
147.04521	1.3
159.04550	1.7
161.02435	1.0
162.03242	1.2
162.78467	0.7
173.02408	1.1
174.03223	1.2
175.03990	3.9
177.12825	1.8
179.08624	1.0
183.08154	3.9
187.04030	1.7
193.10143	1.5
201.09251	1.4
205.05075	3.5
208.08917	0.9
209.06078	1.2
211.07724	2.6
222.06937	1.5
223.07675	16.1
224.08389	6.8
225.09180	2.1
227.14398	2.1
229.08710	4.4
235.07571	2.6
237.09222	17.1
238.09842	4.2
239.10773	2.4
247.07582	1.2
249.09245	2.5
251.07137	1.4
251.10866	1.5
252.07962	5.4
263.07254	1.5
265.08658	1.4
265.21759	2.1
277.12332	6.1
291.06668	3.0
296.03299	2.9
304.07556	0.9
346.12250	2.4
361.17416	0.9
361.21780	16.0
362.22000	1.3
371.20493	1.5
387.19336	1.1
389.21262	32.4
390.21365	4.2
415.19180	13.2
416.19614	2.4
433.20224	100.0
433.29749	3.5
434.20535	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	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.5
59.01385	100.0
69.76953	1.0
71.01384	15.1
71.55360	1.5
72.99298	1.9
73.02963	6.8
75.00900	3.1
83.01379	1.2
84.02170	1.0
85.02975	7.7
87.00887	2.8
89.02460	4.8
93.03447	1.6
95.01430	1.0
97.06566	1.7
99.00889	1.9
99.04526	1.3
99.39216	1.0
101.02439	10.0
108.42458	1.0
111.04511	2.6
113.02451	5.8
123.04490	1.1
123.08151	1.0
125.02438	1.5
135.04514	1.1
137.02512	1.1
138.01973	2.6
139.02357	1.2
149.04524	2.0
151.03987	1.3
155.03545	1.5
159.02957	1.2
161.04607	8.5
169.08560	1.1
172.12576	1.1
178.06410	1.4
193.08821	1.4
211.09744	5.8
227.07080	2.0
243.06715	1.5
262.43588	1.2
267.07086	1.3
271.06174	2.5
301.13025	2.1
301.16434	2.5
313.12088	1.5
373.15009	4.7
410.07056	1.2
415.16260	1.2
433.12729	3.9
433.17447	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	433.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03043	1.0
59.01385	100.0
60.01729	2.1
69.35236	8.4
71.01392	11.6
73.02955	11.5
83.01402	3.9
85.02949	2.5
89.02458	3.5
99.00900	1.3
101.02445	12.3
103.00351	1.3
104.47991	1.1
113.02466	4.1
126.34641	1.1
135.83823	1.1
147.61154	0.9
149.04581	1.3
161.04607	5.2
161.42197	1.0
177.39758	1.1
181.77921	1.2
217.73167	1.0
227.07181	1.1
271.06342	1.3
301.20221	1.7
369.11121	2.0
373.22406	3.6
433.10406	1.1
433.15634	3.2
433.28113	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	433.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23986	2.7
59.01386	11.0
69.73399	13.2
71.01398	10.0
73.02962	3.2
75.00877	2.1
87.00874	5.3
87.53580	2.1
89.02449	31.2
101.02422	2.5
103.04003	4.5
113.35200	2.2
115.00350	5.2
131.03474	4.4
137.02461	2.5
138.05504	2.2
149.04562	100.0
150.04839	3.0
175.02496	13.1
267.07095	2.3
268.07440	2.6
296.71985	2.0
308.16943	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	433.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.03443	2.0
59.01385	100.0
60.01719	2.3
61.01820	1.0
65.00286	0.9
68.99812	0.9
69.03454	1.3
69.41574	5.9
71.01013	1.3
71.01386	22.3
72.99291	3.6
73.02968	4.4
75.00878	8.2
81.03461	2.7
83.01366	2.0
83.05019	1.7
85.02547	1.1
85.02969	13.5
86.92398	0.8
87.00880	5.1
89.02457	10.8
95.01404	4.4
99.00888	5.1
101.02461	8.6
103.00362	1.6
113.02452	14.8
115.00340	1.2
119.03507	4.0
121.02967	2.0
122.06072	0.9
123.04527	7.7
125.02473	1.3
129.01953	1.8
129.54054	0.8
143.03448	1.7
145.02933	1.4
149.02451	9.1
151.00336	1.3
157.01343	0.9
161.04520	3.9
175.02521	1.1
179.05669	0.8
183.10344	5.1
185.05954	0.8
201.24088	0.9
205.07246	0.9
229.05135	6.2
229.08705	2.4
231.05002	1.6
249.06152	12.4
257.14053	1.1
267.07208	18.4
268.07297	1.2
271.06265	4.8
285.16974	1.7
301.16687	1.5
313.06296	2.0
350.67715	1.0
373.12915	1.9
418.12900	0.9
433.10916	3.7
433.16904	31.1
433.24326	2.1
434.11575	1.2
434.17349	3.6
441.76578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16728	0.9
59.01386	34.1
61.98837	5.5
71.01389	7.3
71.53555	1.5
71.71323	1.0
72.99332	2.1
73.02950	2.5
75.00893	1.7
80.67413	0.9
85.02954	5.3
85.58419	1.1
87.00880	2.8
89.02440	4.8
93.03427	1.3
94.30073	1.0
95.01372	1.4
96.96001	5.2
101.02474	4.1
107.05032	1.2
108.02155	2.3
109.02963	3.2
113.02470	2.5
114.05630	1.1
115.00423	1.1
115.69771	1.1
119.03505	2.6
121.02935	1.2
123.04540	1.8
124.04115	2.4
135.04579	1.3
137.02458	4.1
138.01984	1.1
138.03181	1.4
143.03598	1.3
148.01686	21.5
149.02240	1.5
149.04601	1.1
151.04071	1.0
153.02063	1.2
153.05585	25.6
161.04555	1.1
163.04027	32.1
164.04474	1.4
166.02725	3.5
166.05098	1.4
179.03548	2.0
179.05652	1.4
181.05081	46.0
182.05386	1.8
191.01915	1.1
193.05045	1.7
196.03773	2.1
201.49930	1.1
209.95029	1.1
211.06136	100.0
212.06461	7.0
253.07007	1.4
267.07104	1.1
293.32092	1.1
433.09134	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	432.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
58.00593	0.4
59.01385	13.6
60.01707	0.5
67.45628	0.3
68.01415	0.5
69.03465	0.5
70.65628	0.9
71.01389	8.5
72.01719	0.4
72.99317	0.4
73.02952	2.4
75.00883	1.1
81.03477	0.7
83.01399	1.0
85.02959	1.5
87.00895	0.8
89.02455	12.3
95.01401	0.5
96.96024	0.3
97.02971	1.2
99.00894	3.0
99.04530	0.7
101.02445	2.9
108.02184	5.5
113.02449	2.0
115.04047	0.6
119.03526	0.5
121.02987	0.8
122.02489	0.6
123.03279	9.7
124.07712	0.4
125.02454	4.7
131.03535	1.4
136.04030	0.7
138.01993	46.5
138.05621	100.0
139.02313	1.6
139.05972	4.0
140.07243	0.5
143.03529	0.6
149.02470	0.8
149.04596	2.1
149.35213	0.4
152.07201	0.5
161.04630	1.1
164.03545	3.7
166.08644	0.3
167.88792	0.3
172.24353	0.3
180.06680	2.2
182.61026	0.3
191.05597	1.4
233.06651	4.1
234.06854	0.3
267.10751	0.4
268.03711	1.0
269.04147	1.7
270.04834	0.7
292.73758	0.3
293.08838	4.2
300.11093	1.1
301.12836	0.5
432.10034	1.9
432.15158	14.0
433.15637	2.0
433.21213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
59.01385	19.7
60.01719	1.0
61.87500	0.6
61.98837	1.0
63.52439	0.6
67.01881	0.9
68.99845	1.3
69.03428	1.0
71.01392	21.8
71.30884	1.4
72.99323	3.2
73.02947	2.1
75.00885	11.7
81.03488	0.6
83.01382	1.4
85.02957	18.2
87.00874	6.7
89.02447	7.8
91.04020	0.9
93.03476	1.9
95.01376	4.6
96.96062	0.7
99.00896	7.3
99.04510	1.4
101.02460	2.5
103.00375	1.9
109.02982	1.5
110.02535	1.2
111.00945	0.8
112.83385	0.6
113.02461	24.0
114.02809	0.7
115.00369	1.2
117.01961	2.7
119.03549	0.8
120.01271	0.6
120.04576	0.8
123.03268	13.6
125.02440	1.7
129.01950	1.7
136.04004	0.6
137.02469	2.1
137.06091	2.1
138.05620	44.1
139.06004	1.0
149.01160	0.8
149.06134	1.3
161.04527	0.8
164.03561	5.3
175.02502	1.5
181.07191	0.7
207.05099	1.4
231.05090	1.3
249.06171	19.3
250.06392	1.4
252.17570	0.7
256.08212	0.6
264.81732	0.8
265.12964	1.0
267.07224	100.0
268.07468	4.1
269.04019	1.0
293.31271	0.7
300.15375	1.2
377.64252	0.6
397.17111	2.1
432.11304	10.0
432.15601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98836	100.0
69.83126	1.2
69.83536	0.7
71.01389	0.7
72.99319	0.3
89.02470	0.4
91.53561	0.3
98.19995	0.5
126.09300	1.1
128.90576	0.3
130.08688	0.5
138.05649	0.6
172.97864	0.3
190.29048	0.3
190.98734	0.5
204.12498	1.3
231.02016	0.3
253.00351	0.4
260.04626	0.4
262.06094	0.4
433.18808	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03461	1.0
58.00608	0.7
59.01386	100.0
60.01727	1.0
69.03482	1.3
69.40372	1.6
69.40786	2.1
71.01389	18.7
71.70531	0.6
72.01712	0.6
72.99335	1.3
73.02957	19.0
74.03297	0.5
75.00900	1.1
75.93256	0.6
83.01395	4.7
85.02956	3.8
87.00912	0.9
89.02458	11.2
93.03476	2.5
95.01407	0.8
97.02962	0.9
99.00877	0.9
101.02454	19.7
103.35175	0.5
113.02467	9.1
119.03526	3.7
119.05068	1.1
125.02469	1.1
131.03540	1.7
135.04555	0.5
136.04723	0.6
137.02493	5.2
138.01991	2.1
143.03560	1.3
149.02510	0.7
149.04581	2.0
159.27182	0.6
161.02541	0.8
161.04530	3.0
169.01248	0.6
171.51100	0.5
195.04491	0.5
211.04028	1.1
239.03552	2.2
240.04175	1.5
251.13005	1.1
267.03006	2.0
268.03784	16.9
269.04510	3.9
278.01810	0.6
278.04956	0.6
283.03418	0.5
283.05984	2.9
311.05600	4.0
341.06332	0.8
357.09827	0.5
427.55377	0.6
431.09857	18.7
431.14581	0.7
431.19119	0.9
432.09830	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03461	1.0
58.00608	0.7
59.01386	100.0
60.01727	1.0
69.03482	1.3
69.40372	1.6
69.40786	2.1
71.01389	18.7
71.70531	0.6
72.01712	0.6
72.99335	1.3
73.02957	19.0
74.03297	0.5
75.00900	1.1
75.93256	0.6
83.01395	4.7
85.02956	3.8
87.00912	0.9
89.02458	11.2
93.03476	2.5
95.01407	0.8
97.02962	0.9
99.00877	0.9
101.02454	19.7
103.35175	0.5
113.02467	9.1
119.03526	3.7
119.05068	1.1
125.02469	1.1
131.03540	1.7
135.04555	0.5
136.04723	0.6
137.02493	5.2
138.01991	2.1
143.03560	1.3
149.02510	0.7
149.04581	2.0
159.27182	0.6
161.02541	0.8
161.04530	3.0
169.01248	0.6
171.51100	0.5
195.04491	0.5
211.04028	1.1
239.03552	2.2
240.04175	1.5
251.13005	1.1
267.03006	2.0
268.03784	16.9
269.04510	3.9
278.01810	0.6
278.04956	0.6
283.03418	0.5
283.05984	2.9
311.05600	4.0
341.06332	0.8
357.09827	0.5
427.55377	0.6
431.09857	18.7
431.14581	0.7
431.19119	0.9
432.09830	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74450	0.4
54.83904	0.4
58.04020	0.5
59.01385	100.0
60.01715	1.0
69.65810	2.6
70.46837	0.4
71.01383	2.7
73.02967	0.5
77.03989	1.0
83.01407	0.4
85.02947	1.0
89.02483	1.4
93.03491	0.7
95.01420	0.4
101.02470	1.7
105.03501	0.4
113.02477	0.5
117.03492	3.4
119.03513	0.6
121.03000	0.8
149.02415	0.5
159.04507	0.7
161.02490	1.3
161.04498	0.4
163.04076	1.0
169.96362	0.5
191.03545	0.5
196.50310	0.4
203.88510	0.4
205.78943	0.4
210.57233	0.4
211.07755	0.5
239.07149	0.5
251.13004	1.5
256.83456	0.4
268.03897	0.9
269.04587	1.0
281.04724	1.3
283.06143	14.0
283.09171	0.8
284.03613	0.9
284.06512	0.9
285.03955	0.6
311.05634	27.0
312.05936	2.9
323.05746	0.8
341.06680	3.2
346.67542	0.4
371.20654	0.6
389.21649	2.4
431.09763	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.2
55.03096	0.2
59.01384	100.0
60.01715	1.2
60.99361	0.1
69.41337	1.0
71.01389	2.5
73.02960	0.5
77.03983	0.3
83.01396	0.2
84.61347	0.1
85.02970	1.0
85.35548	0.1
89.02441	1.6
89.97207	0.2
93.03478	0.3
94.65481	0.1
95.01419	0.2
96.42705	0.1
99.00923	0.2
99.04548	0.5
101.02458	1.6
102.02752	0.1
113.02456	0.8
117.03462	1.1
119.03518	0.7
121.02984	0.2
131.39319	0.2
135.04573	0.2
160.96825	0.1
161.02443	1.0
161.04626	0.6
163.00420	0.3
163.04044	0.2
165.05515	0.2
189.12903	0.2
207.13983	0.6
227.03540	0.4
233.84586	0.1
251.12917	1.7
255.03123	0.4
260.46454	0.2
268.03894	0.3
269.04556	0.3
281.04565	2.9
282.05060	0.3
283.06143	3.8
284.03369	1.3
284.06335	0.3
285.04178	0.8
285.06763	0.1
295.06256	0.1
299.05710	0.7
299.18509	0.2
311.05643	6.5
312.06030	0.7
323.05991	0.2
341.06720	1.0
371.20682	0.4
389.21823	2.0
390.22137	0.4
431.03833	0.2
431.09854	4.2
431.19278	0.5
432.10278	0.4
433.20798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50243	0.2
52.15861	0.2
57.03424	0.3
58.00595	0.5
59.01383	100.0
60.01710	1.5
61.01787	0.3
69.29617	1.4
69.30040	1.0
71.01395	3.3
73.02946	1.6
75.00906	0.3
77.03983	0.4
79.01923	0.3
83.01437	0.5
85.02965	1.2
87.00890	0.3
89.02445	2.0
93.03464	1.5
95.01433	0.5
95.47619	0.2
99.04572	0.3
101.02460	2.5
107.01394	0.5
109.02993	0.3
113.02455	1.9
114.96528	0.3
117.03472	3.1
119.03532	0.4
119.05060	0.6
121.02978	0.5
124.92683	0.3
131.04996	0.3
133.03001	0.4
134.03757	1.2
135.00908	0.4
135.04570	0.4
137.02444	0.4
143.97342	0.3
147.04576	0.3
149.02461	0.5
149.06096	0.8
159.04527	0.6
161.02452	3.7
161.04623	0.7
163.00371	2.4
163.04021	0.7
165.05595	3.5
169.06616	0.3
178.02734	0.6
193.05061	3.2
197.06056	0.4
209.06094	0.3
212.23518	0.3
227.03607	0.6
239.07253	0.6
240.04219	0.3
251.12788	0.6
253.05144	0.3
255.03033	1.1
268.03790	5.6
269.04495	4.6
269.07938	0.4
269.14038	0.3
270.04724	0.3
281.04568	12.5
282.05157	1.7
283.06125	9.8
284.03247	1.1
284.06482	1.0
285.03986	1.3
293.04776	0.6
295.05981	0.4
299.05646	4.3
299.18723	0.5
311.05627	15.6
312.05948	1.6
314.04532	0.4
323.05774	1.6
341.06631	4.5
342.07025	0.7
353.06677	0.4
371.07745	0.5
371.20935	0.5
389.21912	0.8
431.09860	14.8
431.22772	0.9
432.10135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03456	0.8
58.00613	0.8
59.01384	100.0
60.01731	1.1
66.59019	0.5
69.03460	1.3
71.01385	21.9
71.05043	0.5
72.07948	0.5
72.99325	0.8
73.02953	29.2
74.03271	0.7
75.00865	0.7
82.36596	0.4
82.39314	0.5
83.01395	7.8
85.02969	4.5
87.00909	1.2
89.02440	7.3
93.03439	0.4
95.01420	1.4
97.02966	0.4
98.20698	0.7
99.00896	0.6
101.02452	24.9
107.01340	0.4
111.08198	1.7
113.02462	11.2
117.03516	1.2
119.03499	3.4
125.02477	1.2
125.09721	0.4
131.03539	1.8
143.03555	1.9
149.04547	2.2
153.09232	9.4
154.09593	0.5
155.03583	0.7
155.10822	0.8
161.02481	0.8
161.04575	7.2
163.00444	0.5
169.74629	0.5
175.04057	0.5
179.05646	1.0
198.08435	0.4
199.80688	0.4
203.05618	0.5
209.15488	8.6
210.15794	0.7
221.06795	0.7
227.16570	1.2
268.03928	1.1
281.04602	0.9
282.05545	0.6
283.06104	5.0
284.06476	0.5
299.18613	0.6
311.05621	8.3
312.05975	0.9
321.98666	0.4
323.05777	0.9
341.06622	2.4
371.20615	2.4
389.21762	2.9
431.09891	6.2
431.22827	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03458	0.4
59.01385	100.0
59.45671	0.2
60.01719	1.4
65.23878	0.2
70.85303	0.6
71.01388	6.2
73.02954	2.0
73.34653	0.2
83.01400	0.9
85.02957	3.0
87.00880	0.6
89.02454	3.4
95.01412	0.8
99.00908	0.3
101.02451	3.2
113.02460	7.1
117.03477	0.3
119.03529	1.0
132.02197	0.3
143.03511	0.4
151.00351	0.3
161.04585	2.1
163.03996	0.3
179.05551	0.3
209.15509	0.6
211.04044	0.3
224.04753	0.3
227.16559	1.7
239.03606	0.4
241.01482	0.4
267.03125	0.4
268.03757	3.7
269.04544	3.2
270.01807	0.5
283.06143	1.9
311.05606	3.5
323.05881	0.3
341.06839	0.6
371.20679	2.0
372.21146	0.4
389.21857	2.8
390.22180	0.4
431.10138	3.8
431.23312	0.4
432.09897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1866
Annotation	Aspulvinone H
Peak:m/z	Relative Intensity
59.01385	17.8
61.98833	2.5
70.35704	1.5
71.01373	1.9
71.55103	1.8
97.93220	1.5
109.06580	2.4
117.03460	3.9
117.95486	1.6
121.02994	1.7
159.04507	3.3
170.36224	1.8
173.02437	2.1
176.34570	1.6
221.09514	1.5
227.07169	1.5
235.07645	12.6
236.08421	15.2
237.09094	2.8
247.07700	2.4
250.06404	3.0
251.07135	2.4
263.07132	6.3
264.07959	19.8
265.08551	4.0
268.03717	2.7
268.07303	3.7
269.04755	3.5
275.07336	1.9
275.10736	4.1
276.08044	4.7
281.04730	2.8
282.05469	3.5
283.06113	18.0
289.12363	4.9
290.12866	1.8
311.05652	33.4
312.06131	3.0
318.12598	2.0
323.05692	3.8
341.06720	10.0
359.19891	8.5
360.20566	1.9
387.19656	98.8
388.19962	13.9
403.22327	2.3
431.10022	19.8
431.18640	100.0
431.30978	6.5
431.36252	16.0
432.18970	17.0
432.35831	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.03460	1.1
58.00586	0.4
59.01385	100.0
60.01720	1.6
69.34060	2.4
69.34481	0.7
71.01383	9.0
73.02954	2.1
76.18962	0.4
83.01409	1.4
85.02956	4.7
87.00928	0.5
89.02458	4.6
94.12054	0.3
94.33277	0.3
95.01406	1.3
96.96105	0.3
97.02953	0.4
98.20676	0.7
99.00890	0.9
101.02450	5.2
102.94763	0.3
113.02467	9.2
113.03266	0.5
115.04041	0.5
117.03468	0.7
119.03498	1.7
123.64386	0.4
143.03578	1.1
158.18332	0.3
161.02541	0.5
161.04605	2.6
163.04091	0.5
209.15541	0.4
227.16536	1.9
263.12552	0.3
269.04715	0.4
281.04672	0.6
283.06152	4.0
299.01993	0.5
311.05630	6.3
312.06039	0.5
320.82843	0.4
323.05817	0.6
341.06732	1.2
371.20740	7.9
372.21375	1.0
389.21851	8.1
390.22278	1.2
400.21448	0.3
431.10254	4.4
431.23105	1.4
432.09952	0.7
456.70203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
55.87518	0.9
57.03451	5.4
59.01386	100.0
60.01734	1.2
71.01388	26.6
71.54372	1.7
72.01725	1.3
72.99331	2.1
73.02954	18.7
75.00883	1.9
75.27402	1.0
81.03467	0.9
83.01391	5.6
85.02955	7.3
87.00908	3.4
89.02448	13.3
93.03452	6.4
95.01434	1.8
96.96041	1.9
97.02995	2.3
99.00919	2.5
99.04561	4.5
101.02458	20.4
108.02192	2.2
109.02975	2.2
111.00914	1.3
113.02472	9.5
119.03538	3.0
119.90215	0.9
121.02977	3.4
122.03785	1.1
123.04567	3.8
125.02449	9.5
125.03211	1.1
129.01962	1.6
131.03539	1.5
132.02182	1.1
133.03003	2.3
135.04550	2.2
137.02466	18.4
137.03508	1.0
137.06097	1.9
138.01991	10.2
143.03513	1.5
149.02484	1.4
149.04602	2.4
151.04056	2.4
151.47258	0.9
152.01128	1.3
152.04776	4.2
153.01881	1.1
155.03622	1.1
161.02480	5.4
161.04564	4.8
163.04080	2.4
164.04832	3.3
165.05313	1.0
167.03522	8.0
167.07150	6.8
168.58975	1.0
175.04027	1.7
176.04774	2.4
179.03569	6.2
179.05687	1.7
179.07071	6.0
191.05605	1.1
191.07178	1.5
192.99692	1.0
193.05223	1.5
194.05829	5.7
196.88927	0.9
197.07877	0.8
207.10281	0.9
209.02846	6.1
209.08197	15.7
210.08574	0.9
211.04088	2.3
211.06064	1.3
211.09761	1.4
212.04889	1.3
212.07005	1.9
223.04041	1.1
224.04857	1.4
227.09338	5.4
239.03517	3.6
240.04361	1.9
267.03030	5.9
268.03793	40.2
269.04358	8.1
283.06158	4.6
295.03064	1.4
299.07803	1.3
299.11517	1.3
311.05554	7.8
341.06656	2.1
341.12543	1.0
371.13492	5.0
389.14655	2.0
399.09412	2.1
413.05585	3.0
431.10080	43.5
431.15570	5.2
432.10593	4.5
432.15472	1.5
443.29865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32156	0.4
57.03455	1.2
59.01385	8.5
61.98831	1.4
71.01394	3.7
73.02950	0.9
75.00906	0.4
83.01388	0.4
85.02943	1.0
87.00906	0.5
89.02452	2.2
93.03470	74.2
94.03000	1.0
94.03826	2.7
96.96024	1.3
98.95561	0.4
99.00890	2.0
99.04549	1.0
99.92611	0.5
101.02441	2.7
113.02465	1.8
116.92891	0.5
121.02998	0.5
123.04560	1.1
125.02497	0.7
137.02458	100.0
138.01958	1.2
138.02856	3.4
138.05690	0.6
149.04611	0.6
149.06071	0.5
150.03252	0.6
151.03990	0.7
152.04761	0.4
161.04538	0.7
165.05579	1.2
167.03514	1.6
167.07112	0.6
179.03555	1.3
179.07121	0.5
191.05544	0.6
199.89485	0.4
209.08191	1.0
267.02960	0.4
267.07272	0.7
268.03851	1.7
269.10297	0.7
298.82870	0.4
299.07797	3.4
311.05801	1.1
331.76019	0.5
341.14633	0.7
387.19232	0.5
389.21591	0.4
395.15649	0.6
395.39679	0.4
421.18439	0.5
431.11966	20.9
432.12149	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79389	0.8
52.19189	0.9
55.01878	2.5
57.03450	2.9
58.20686	0.9
59.01388	100.0
61.39941	0.8
61.98824	2.9
69.33177	7.0
69.96279	0.7
71.01392	13.9
73.02961	5.0
75.00877	1.1
83.01396	3.1
85.02959	6.8
87.00899	1.2
89.02460	5.3
91.01934	0.9
93.03474	1.0
95.01389	1.3
96.96004	0.9
97.02950	0.7
98.20685	1.4
99.00909	1.7
101.02460	8.6
104.41222	0.7
113.02451	6.8
119.03480	2.0
120.01021	1.0
121.02978	4.9
123.04540	4.4
125.02428	2.4
129.01961	6.4
135.04544	0.9
137.02463	2.7
147.04515	0.7
149.02480	2.9
151.03966	1.3
153.01987	0.9
153.78178	0.8
161.02449	3.6
161.04582	3.8
164.04782	3.6
167.03568	7.0
176.04807	1.7
179.03496	5.2
179.07124	3.9
194.05838	6.9
209.08220	17.2
210.08461	0.8
263.07626	2.2
268.03815	6.0
269.04398	2.4
269.10406	6.8
281.08997	0.8
283.06259	1.2
311.05569	2.7
341.06641	1.0
371.13757	1.2
373.20041	0.9
399.09198	1.2
431.10071	7.2
431.15692	4.1
432.10562	0.9
448.34256	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	0.2
59.01384	100.0
60.01726	0.9
70.19183	0.9
71.01391	3.2
73.02950	1.0
76.93462	0.2
77.03973	1.0
79.01938	0.5
83.01401	0.7
85.02967	1.0
87.00895	0.3
89.02440	1.8
93.03474	0.5
94.02793	0.2
98.20569	0.3
99.04537	0.6
101.02457	2.0
105.03431	0.2
107.01445	0.3
113.02450	1.3
115.26473	0.2
117.03482	2.5
119.03515	0.9
119.05009	0.4
119.65213	0.2
121.02941	0.7
125.11775	0.3
133.03009	0.3
135.04510	0.6
137.02400	0.3
140.47479	0.2
145.02896	0.2
149.02444	0.7
151.00371	0.3
159.04532	0.6
161.02473	2.2
161.04558	0.7
163.00394	1.0
163.04027	0.9
179.05632	0.4
182.03622	0.2
191.03490	0.3
193.05057	0.3
197.05997	0.3
198.65891	0.3
203.03648	0.3
207.13997	0.2
209.05956	0.3
211.07677	0.3
227.03549	0.4
239.07317	0.3
251.12962	1.6
255.03015	0.6
268.03851	1.6
269.04489	1.1
269.13974	0.3
281.04575	4.7
282.05066	0.8
283.06143	13.2
284.03314	3.4
284.06473	1.1
285.03983	1.5
293.04581	0.3
295.06104	0.4
299.05597	1.0
299.18613	0.7
309.04132	0.4
311.05627	20.6
312.05963	2.1
323.05676	0.8
341.06677	2.7
353.06613	0.4
371.20828	0.5
389.21860	1.8
431.09851	13.3
431.22815	0.9
432.10217	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
56.09764	0.4
57.03452	0.7
58.00597	0.5
58.54144	0.3
59.01384	51.7
60.01720	0.9
69.03465	0.5
69.20294	3.6
71.01386	10.3
71.01780	0.5
72.99319	1.1
73.02950	5.5
83.01398	2.1
83.05061	0.5
85.02961	2.5
87.00887	0.8
89.02450	6.7
93.03466	0.6
95.01369	0.6
97.02973	0.4
99.00883	1.0
99.04541	0.7
101.02451	7.5
102.02773	0.4
113.02463	4.5
116.50087	0.4
119.03517	2.3
119.05054	1.4
121.02917	0.3
123.04497	0.5
125.02437	0.6
131.03545	0.6
132.02187	4.0
134.03806	0.5
135.00887	1.4
137.02466	1.0
137.06075	0.8
138.01988	6.3
143.03474	0.7
149.02435	0.9
149.04593	0.8
149.06129	0.4
151.00354	1.0
152.60286	0.5
161.04573	1.8
167.04968	0.4
169.01379	0.6
179.05643	0.8
183.04568	0.5
184.05258	0.9
195.04582	1.6
196.05302	1.3
206.04590	0.4
211.04024	6.0
212.04761	2.6
223.03972	3.5
224.04784	3.0
225.05402	0.5
226.02675	2.3
227.09322	0.4
239.03500	11.8
240.04239	5.2
241.04929	0.5
251.12920	0.6
267.02994	14.2
268.03766	98.1
269.04349	16.6
269.08020	1.3
269.17679	0.5
270.04953	1.0
273.75549	0.4
283.06067	2.8
283.11954	0.8
299.14838	0.4
311.05643	4.1
322.59393	0.4
341.06635	1.0
388.10373	0.4
389.14273	0.8
431.09833	100.0
432.10156	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22055	0.2
53.29018	0.2
59.01383	16.1
61.11758	0.3
63.02406	0.8
65.00339	0.7
69.94562	0.6
69.94957	0.5
71.01384	1.1
73.02945	0.3
83.01385	1.2
85.02960	0.3
89.02447	0.8
93.03442	0.2
101.02444	0.8
107.01424	2.3
113.02425	0.5
117.03464	2.0
119.03510	0.5
121.02917	0.4
148.01639	0.6
149.02444	1.3
149.99611	0.5
151.00381	3.9
159.04512	0.6
161.02414	0.5
171.04483	1.3
172.05258	1.1
180.05815	0.3
183.04440	0.3
184.05231	0.3
195.04605	0.6
196.05312	1.2
199.04039	0.4
200.04817	0.5
211.04118	1.9
212.04735	0.8
223.03912	0.3
224.04819	0.4
225.05482	0.5
227.03598	0.4
239.03510	4.2
240.04262	4.9
251.12914	0.4
267.03012	2.1
268.03769	100.0
269.04453	31.5
270.04874	2.1
282.05173	0.3
283.06097	2.6
311.05569	3.4
312.06161	0.3
323.05664	0.5
341.06656	0.8
431.09824	81.0
432.10138	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	8.8
59.01383	21.5
66.61186	0.6
69.47723	4.4
71.01395	4.5
73.02958	3.4
83.01395	1.5
85.02924	0.7
87.00877	1.2
89.02463	1.9
89.03968	0.9
93.03466	13.9
99.04475	0.7
101.02438	3.2
103.00382	3.2
106.04252	1.0
107.05039	12.7
109.02949	0.7
112.98840	3.5
113.02457	2.8
115.53536	0.6
117.03487	2.4
119.03571	0.8
119.05038	4.9
121.02936	1.4
121.49583	0.7
125.84003	0.7
131.05043	1.2
133.02956	1.3
134.02730	1.3
134.03761	26.8
135.04463	2.4
137.02446	3.1
137.06071	1.1
139.03951	0.6
147.04530	4.2
149.06093	16.0
153.09218	1.1
156.68335	0.6
161.04495	1.2
163.04007	2.5
165.05582	100.0
166.05898	4.8
175.04025	2.0
178.02713	10.1
178.04088	1.0
179.03218	0.6
188.20665	0.6
193.05064	63.2
194.05423	3.1
209.04550	1.8
209.15523	1.0
237.03972	3.3
251.12859	3.3
268.03793	2.2
269.04596	0.9
283.06143	3.7
284.03308	1.0
285.04150	0.7
311.05591	4.0
312.05823	0.7
323.05698	0.8
341.06714	2.9
431.09781	5.3
431.18753	0.7
432.10532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99160	1.3
54.50283	1.4
59.01386	100.0
61.62004	1.7
61.98834	3.4
66.90498	1.4
71.01384	2.3
71.55305	2.0
87.84045	1.6
88.00005	1.7
96.96013	10.3
97.68031	1.6
145.73508	1.7
213.34895	1.7
429.15735	4.4
429.30151	3.9
444.95715	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	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58445	0.8
59.01387	100.0
59.25509	0.9
60.01712	1.5
61.98841	1.3
64.65125	1.0
68.41950	1.0
69.21619	9.2
71.01396	0.8
83.05032	1.2
85.02949	1.1
91.04009	1.5
96.96021	3.6
108.02200	1.0
109.83340	0.9
123.04626	1.0
180.05843	0.9
195.14037	1.3
205.16035	0.9
225.60170	0.9
267.02924	1.0
268.03909	2.3
283.06067	4.5
295.22797	9.9
415.25610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3377
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
59.01383	2.2
62.48764	0.3
62.77307	0.4
69.19213	3.4
73.54440	0.3
100.26731	0.3
102.94351	0.3
123.41972	0.3
124.71236	0.3
146.81601	0.4
152.69527	0.3
302.23792	0.4
350.17441	0.4
407.58719	0.4
429.33762	100.0
430.34091	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	431.0984
Annotation	Isovitexin
Peak:m/z	Relative Intensity
59.01374	1.1
65.00314	0.5
69.21393	4.4
77.03975	2.1
79.01884	1.9
92.26826	0.4
93.03457	1.2
98.07793	0.5
101.02446	0.4
117.03479	8.9
119.05042	0.9
121.02950	1.6
133.02962	0.6
135.04532	1.8
137.48514	0.5
149.02443	1.4
159.04494	1.9
161.02470	4.1
163.00346	0.8
163.04005	2.4
165.01900	1.6
168.94333	0.4
173.06013	0.5
175.00352	0.8
181.06583	0.7
183.04526	1.0
183.08192	0.8
185.02345	0.4
186.32292	0.4
191.03519	1.1
196.05299	0.5
197.06055	0.7
203.03506	0.5
204.79611	0.4
211.07753	1.0
211.61197	0.4
224.04781	1.0
225.05553	0.6
237.05415	0.6
238.05988	0.5
239.07130	1.9
253.05270	0.7
254.05847	0.7
268.03741	2.9
269.04602	7.5
281.04547	9.1
282.05225	5.8
283.06134	56.6
284.06479	5.2
293.04474	2.1
294.05057	0.7
295.06149	4.6
308.03348	1.0
309.04068	1.6
311.05624	100.0
312.05978	11.0
314.04257	2.1
323.05588	10.2
324.05920	1.1
325.07199	1.0
341.06653	31.1
342.06918	3.5
353.06668	2.4
379.08044	0.5
402.69275	0.4
413.08948	2.6
414.09296	0.7
431.09842	55.0
432.10168	8.5
457.25980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77904	0.3
57.03450	0.6
58.77233	0.3
59.01385	100.0
60.01722	1.2
67.99383	0.3
71.01381	4.9
73.02943	0.8
83.01419	0.6
83.32348	0.3
85.02948	2.0
85.72144	0.3
86.62126	0.3
89.02446	3.1
94.68208	0.3
95.01405	0.5
96.71062	0.3
98.19904	0.6
101.02464	1.7
101.92426	0.3
113.02460	5.4
119.03526	1.4
129.68291	0.4
142.33772	0.4
155.45190	0.3
161.04617	1.1
163.11342	0.4
163.37715	0.3
225.14949	0.5
282.00397	0.4
334.51852	0.3
369.19440	1.6
370.19592	0.3
387.20566	0.7
448.74680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58445	0.8
59.01387	100.0
59.25509	0.9
60.01712	1.5
61.98841	1.3
64.65125	1.0
68.41950	1.0
69.21619	9.2
71.01396	0.8
83.05032	1.2
85.02949	1.1
91.04009	1.5
96.96021	3.6
108.02200	1.0
109.83340	0.9
123.04626	1.0
180.05843	0.9
195.14037	1.3
205.16035	0.9
225.60170	0.9
267.02924	1.0
268.03909	2.3
283.06067	4.5
295.22797	9.9
415.25610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04688	0.5
58.00583	0.7
59.01385	100.0
60.01701	0.7
61.09138	0.5
69.03465	0.6
70.84619	1.5
71.01392	11.8
72.01740	0.5
73.02954	15.9
74.43010	0.5
83.01394	3.4
85.02988	1.7
89.02440	2.9
93.03458	1.1
95.01359	0.6
101.02452	11.7
113.02457	6.2
119.03538	1.3
127.09379	0.5
131.03542	0.8
143.03558	0.6
149.04562	1.1
160.01682	0.8
161.04588	2.4
165.09225	1.0
175.03955	0.8
193.67531	0.6
207.10388	0.9
285.04120	1.2
429.08151	1.3
429.17868	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22863	0.5
52.53471	0.5
54.72525	0.5
58.44083	0.5
59.01384	100.0
60.01720	1.3
65.63938	0.5
70.72732	1.2
70.73080	0.6
71.01389	1.4
89.02477	0.7
100.28724	0.5
101.02453	0.7
113.02480	0.9
120.23158	0.6
154.55914	0.6
398.61835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14972	0.4
56.14540	0.4
57.03456	1.4
58.00588	0.6
59.01385	100.0
60.01725	1.4
69.03439	0.7
69.46820	1.6
69.47251	1.4
71.01391	11.6
72.99307	1.0
73.02953	1.7
81.07121	0.6
82.17907	0.4
83.01426	1.0
85.02968	2.7
87.00914	1.3
89.02451	12.6
95.01410	1.2
97.15840	0.4
98.20612	0.7
99.04539	1.1
101.02457	7.3
108.02182	2.0
109.03002	0.5
113.02464	4.8
119.03523	4.7
137.02477	0.5
143.03534	0.8
152.01196	2.6
161.04575	1.3
161.13376	4.4
179.05653	1.0
187.11372	0.6
205.12321	8.2
206.12732	0.8
207.13890	2.0
225.15021	1.0
249.11328	13.3
250.11588	1.2
255.03256	0.4
284.03320	0.5
297.17221	0.5
369.19363	0.6
370.10452	0.8
387.20514	1.0
429.11530	0.8
429.17303	7.7
430.18356	1.1
447.11810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81855	1.0
55.01896	1.3
57.03450	1.5
58.00586	2.1
59.01385	100.0
69.86792	5.0
71.01389	34.6
72.99313	2.7
73.02937	2.0
83.01400	1.9
85.02961	7.4
85.32043	1.1
87.00881	2.5
89.02451	44.9
95.01383	2.5
98.20605	1.2
99.00896	1.3
99.04536	4.2
101.02447	20.4
111.04535	1.6
112.21803	1.1
113.01841	1.2
113.02467	14.1
119.03518	16.6
131.03479	1.4
143.03497	2.3
149.04512	2.1
156.10275	1.5
158.11877	1.5
161.04546	3.3
161.13397	13.0
166.05055	1.6
179.05623	7.3
180.03555	1.0
187.11302	3.0
205.12343	39.2
206.12633	2.9
207.13908	2.6
228.86618	1.2
249.11324	35.9
250.11719	3.2
387.20154	1.4
429.17609	8.4
430.19107	1.7
435.96844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.3
62.01228	0.3
69.19930	3.3
89.71923	0.3
98.19885	0.8
99.00906	0.7
99.92600	4.7
100.20639	0.3
100.93372	3.6
101.02461	0.3
108.21169	0.3
108.48009	0.3
114.53763	0.3
115.92091	100.0
115.99289	0.3
116.92097	4.4
116.92885	6.0
117.05494	0.3
127.11733	0.3
132.92368	1.0
145.52940	0.4
172.95468	5.2
173.95570	0.4
175.31999	0.3
255.23250	0.7
355.15918	0.6
371.15106	0.5
381.17407	0.7
429.19653	3.7
430.19604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03445	1.5
58.00609	0.9
59.01384	100.0
59.40985	0.5
60.01709	1.4
68.59709	0.5
69.17666	1.3
69.18075	4.1
71.01386	12.8
71.60697	0.5
73.02958	2.1
75.00887	0.7
83.01404	1.0
85.02950	2.9
87.00902	0.8
89.02449	11.5
93.03478	0.6
99.00922	0.6
99.04550	1.4
101.02444	7.3
108.01546	0.5
108.02219	2.4
113.02479	4.4
119.03503	5.0
137.02438	0.8
141.09300	0.9
143.03593	0.8
149.04567	0.8
152.01172	2.8
161.04588	1.6
161.13376	4.0
179.05603	0.8
205.12334	8.0
206.12674	0.8
207.13962	2.5
249.11313	16.4
250.11700	1.4
369.19278	1.1
387.20309	1.3
429.11234	0.9
429.17004	7.6
429.22757	1.1
430.18195	1.3
447.12192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01384	16.5
61.98825	0.8
69.34257	3.9
69.34656	1.1
71.01385	5.7
72.99316	0.7
73.02937	0.7
85.02950	1.6
89.02457	6.4
97.02966	0.6
101.02451	2.5
107.05042	3.2
109.02927	0.9
109.06594	0.6
110.00106	0.6
111.00864	0.7
113.02444	3.1
118.90000	0.6
119.03489	1.8
121.06624	0.7
125.09749	0.8
127.08153	0.5
139.00368	0.7
139.07651	0.9
153.01978	2.6
163.11272	1.4
175.07594	0.7
177.12852	6.0
179.14424	37.0
180.14771	3.1
203.14395	6.4
205.12381	3.3
215.07211	0.7
219.13965	0.6
222.01758	0.7
223.13405	66.7
224.13737	4.3
227.10730	0.9
229.12285	1.9
245.08199	3.8
247.13353	5.6
249.11253	2.9
251.16565	0.8
257.08267	1.1
259.29718	0.6
267.12384	100.0
268.12741	8.1
275.09290	1.1
276.24939	0.6
281.14105	1.1
295.47397	0.7
296.03415	0.7
309.13416	5.5
310.13577	0.8
371.15015	1.1
400.57410	0.6
429.11346	1.1
429.23401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52108	1.5
55.20591	1.4
57.03455	30.5
59.01385	100.0
62.26956	1.5
64.48663	1.4
65.31669	1.3
69.03427	1.5
69.98325	7.0
71.01388	16.6
73.02953	9.6
74.89825	1.3
75.00880	3.5
76.02148	1.5
82.01340	1.4
83.01394	2.7
85.02971	9.1
87.00895	15.7
89.02451	9.0
95.05025	3.2
97.02939	1.8
97.20042	1.4
98.20555	2.2
99.00898	2.1
99.04504	3.2
101.02449	11.5
107.05025	1.9
108.02184	2.6
109.06612	4.4
113.02453	6.9
117.03426	2.3
119.03540	3.0
121.02953	3.6
121.06602	4.3
122.03716	1.7
123.04534	2.2
129.01920	1.7
135.04524	5.8
137.06075	2.4
139.07672	9.4
145.02965	5.8
147.04492	5.7
147.08147	1.7
149.02480	8.1
151.04008	7.9
151.07642	1.8
152.01158	4.4
155.07133	2.7
161.02394	3.1
161.04510	2.0
163.11295	4.2
164.04802	6.2
165.05518	6.0
169.10263	1.9
175.04015	33.6
176.04349	1.8
177.01944	21.1
179.07141	10.5
187.11256	3.3
190.04749	2.7
190.06375	37.3
192.04286	28.1
193.05035	16.9
205.08705	94.1
206.09105	7.6
207.06627	40.1
207.10158	2.3
208.07414	18.1
223.09770	44.2
224.10167	4.0
225.03748	1.6
253.14465	9.4
267.09015	2.7
281.13885	5.4
297.13443	31.0
298.13742	2.1
367.14017	1.8
369.06320	1.5
387.16699	2.0
429.13480	18.6
429.17712	25.8
430.18005	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	429.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67530	0.8
57.03453	58.3
58.03807	1.1
58.53891	0.7
59.01384	23.8
60.99306	1.4
61.98823	2.3
66.07256	0.7
69.42146	3.0
69.42574	3.2
71.01376	5.2
72.99323	1.0
73.02939	1.8
75.00883	0.8
83.01371	0.9
83.05033	1.0
85.02951	3.1
87.00877	4.4
88.98811	9.6
89.02456	3.0
93.03463	2.6
96.95988	0.9
97.02975	1.0
99.00867	1.3
99.04543	0.8
101.02450	3.1
107.05010	1.0
108.02175	2.0
113.02475	2.3
121.02989	0.9
123.04568	1.1
123.08167	2.7
125.02396	1.0
135.04543	34.3
136.04918	1.0
145.02971	2.0
147.04530	1.7
149.02455	1.3
149.06091	1.4
150.03242	1.5
151.04021	8.1
152.01196	0.8
157.02721	0.9
161.02417	1.3
161.04594	1.0
165.01881	0.9
165.05592	4.4
171.11795	2.0
175.04012	10.2
177.01938	11.7
179.03416	1.5
179.07191	1.5
190.06367	7.2
192.04294	15.1
193.05066	27.0
194.05385	2.0
205.06943	1.3
205.08701	12.6
206.08983	1.3
207.06654	19.1
207.13776	0.8
208.07416	34.3
209.07813	1.8
223.09772	100.0
224.10127	7.0
237.15018	2.1
267.07343	3.0
279.35828	0.8
281.13971	14.5
282.14209	1.8
319.52002	0.8
365.39999	0.7
410.16949	0.8
429.17862	2.9
430.05374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52931	0.6
51.38327	0.6
54.35933	0.8
59.01384	18.5
69.03461	18.0
69.25025	2.5
69.25446	3.6
71.01432	1.9
73.02979	1.6
78.86787	0.6
79.01962	0.8
79.05603	1.8
83.26763	0.8
85.02997	0.8
87.00923	0.7
89.02469	1.1
89.76230	0.7
93.03517	0.6
95.01441	2.9
97.02957	65.0
97.91210	0.6
98.03337	1.7
101.02476	1.3
104.83939	0.6
105.03481	1.0
107.05048	10.0
111.08273	0.8
113.02496	1.6
121.03011	0.8
121.06650	0.8
123.00893	33.4
123.04566	0.9
127.04082	2.4
131.08691	1.0
133.02986	1.5
145.05086	8.5
147.04495	1.0
151.04018	7.9
153.01944	0.7
157.06607	3.5
159.04570	2.0
161.02542	1.0
165.05635	0.9
167.10814	2.1
175.07651	45.7
176.07944	3.1
177.01923	3.5
199.07732	0.7
201.05644	5.7
209.09830	1.1
211.07640	2.5
211.09799	2.6
211.11478	1.1
213.09276	3.6
219.06609	1.9
225.05566	0.9
227.05492	1.7
227.07477	1.2
239.07175	1.5
240.07890	1.3
243.06671	1.7
251.10681	1.2
253.03716	1.1
253.08658	4.3
255.06650	3.1
255.10283	9.6
256.10571	1.2
267.10373	0.8
269.11917	1.2
281.08212	15.8
282.08597	1.8
283.06110	12.4
284.06473	1.3
291.10406	0.9
299.09256	100.0
300.09598	10.5
309.11365	2.9
313.10754	0.8
323.12784	1.0
341.13956	3.0
353.10190	2.9
354.10669	0.9
369.12296	1.1
371.14810	1.3
429.11789	46.8
430.12335	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	429.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04537	4.0
57.03449	10.3
59.01385	100.0
68.32559	4.9
69.03468	25.2
71.01402	10.0
71.54900	8.1
73.02972	5.3
81.03441	4.7
83.01422	7.6
84.44371	4.7
85.02977	5.5
95.01408	13.0
96.99328	26.2
97.02959	57.8
99.00889	6.7
99.04520	24.3
99.92610	6.7
101.02476	14.3
106.41012	4.4
107.05046	25.5
108.02176	4.6
109.02964	13.4
111.00886	18.8
112.01685	13.4
113.02470	8.1
113.06075	5.6
115.92076	7.8
116.92862	10.0
119.77505	4.1
123.00888	10.0
123.04550	12.1
125.02478	11.0
126.03255	47.2
127.04064	31.1
129.01950	24.5
137.02597	5.4
139.00444	5.2
140.83224	4.9
141.05627	11.4
149.02406	7.4
150.03233	8.6
151.04021	19.7
152.00879	5.1
153.01880	7.6
155.03412	4.9
155.07216	7.3
157.06575	6.2
159.04567	4.8
165.05573	12.9
167.03418	4.7
175.07657	57.8
183.06650	57.3
184.06947	5.3
187.07654	13.0
193.01581	4.4
195.02904	6.3
201.05557	18.1
217.08772	12.5
219.06633	57.3
227.05617	63.7
228.05997	6.8
229.06618	4.9
229.08678	10.1
231.10284	6.6
245.08034	12.6
257.08209	47.6
258.08484	6.2
267.35654	4.5
275.08987	5.8
281.08212	29.8
299.09317	18.9
307.09985	4.9
335.09607	6.3
353.10300	6.5
367.11920	11.5
394.25299	4.6
401.08899	9.0
429.11795	8.0
429.24384	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28473	0.6
57.03462	1.0
59.01108	1.2
59.01388	15.6
60.52299	0.6
61.24240	0.6
62.44308	0.8
65.03962	0.7
67.01891	3.9
68.96967	0.7
68.99837	1.9
69.03461	1.0
71.01385	2.0
79.05544	6.5
85.02943	1.2
93.03474	1.9
95.01397	13.5
96.99311	5.1
99.04557	0.7
101.02429	1.2
105.03493	0.7
107.05039	17.1
113.02417	0.8
121.02951	1.5
123.04539	0.9
125.08672	0.6
127.04016	14.8
129.01958	3.8
129.07059	0.7
139.00383	5.6
139.07649	0.9
151.04028	3.4
153.07100	0.8
157.06622	3.6
158.03746	1.4
159.04594	1.5
169.06546	1.0
169.10223	2.6
170.07417	1.5
171.03012	2.3
172.05206	1.2
173.06126	0.8
175.07666	7.4
181.22842	0.8
183.04565	1.2
185.09674	1.8
187.07637	2.3
195.08165	2.4
197.06081	2.5
197.09761	0.8
198.06859	1.7
199.07750	1.0
201.05598	2.9
211.07787	0.9
211.11450	4.1
211.13141	0.9
212.08412	1.5
212.11555	0.8
213.09233	100.0
214.09547	7.0
215.10905	1.2
219.06630	4.7
225.09312	1.2
227.07167	0.8
231.10255	2.2
235.07643	0.8
239.10670	1.1
240.07954	0.9
249.09183	1.0
250.10051	1.0
253.08786	1.2
254.09496	1.1
255.10292	19.2
256.10696	1.5
257.08154	3.8
263.10696	1.0
265.08707	1.3
265.12366	5.1
267.10370	2.1
279.06668	1.0
281.08264	1.5
281.11816	3.4
283.06589	1.2
283.09833	3.3
291.10336	3.1
293.08188	1.6
294.09018	1.8
309.11337	46.4
310.11804	5.5
327.21506	0.9
341.13901	7.7
353.10327	89.6
354.10690	10.3
357.09024	1.3
385.12988	18.3
386.13232	2.5
397.09286	2.3
429.11771	10.4
429.24683	1.9
430.12213	1.2
434.45773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41286	1.3
59.01386	100.0
71.25322	2.7
99.25641	1.2
107.04990	1.4
142.10722	1.3
151.03964	2.2
172.48152	1.4
175.07635	3.5
195.64293	1.3
203.07085	2.1
213.82724	1.2
221.08049	1.9
231.70868	1.4
267.88458	1.2
321.11160	1.5
330.05783	1.7
351.12558	1.5
367.13550	3.8
383.14783	2.5
427.20514	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	428.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
57.03443	0.8
59.01383	16.5
71.01391	12.4
71.53249	0.7
73.02960	1.5
83.01416	0.7
85.02962	2.5
89.02457	16.4
95.01395	0.8
97.02945	0.8
99.00920	0.8
101.02449	7.1
113.02465	5.3
117.05542	0.7
119.03508	4.9
130.08751	100.0
131.03566	1.3
131.09097	3.4
135.06639	5.1
143.03516	1.5
146.19148	0.6
149.04582	2.6
161.04587	4.1
179.05643	5.8
204.54544	0.6
296.91324	0.6
297.11929	33.5
298.12289	2.4
369.14133	0.7
429.16122	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	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87761	0.9
59.01385	100.0
59.19316	1.1
67.01884	1.0
70.04295	4.7
81.03474	1.1
91.04013	2.2
96.96037	1.5
98.19900	1.8
107.05044	2.4
111.84688	1.2
149.06056	1.5
151.04018	4.8
157.06618	3.5
171.10292	1.4
175.07651	5.6
201.05551	2.0
225.09160	1.1
230.96117	1.1
275.20218	3.1
293.21164	7.8
321.11380	3.9
323.09384	2.4
333.41806	1.2
351.12366	3.3
353.13947	1.2
383.15073	6.8
395.11493	1.2
409.19397	3.1
427.20313	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	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01751	1.8
71.54913	1.7
85.97133	1.3
96.96021	4.9
107.05048	3.6
118.30548	1.6
121.02814	1.6
124.05309	1.4
125.02442	2.6
134.03781	2.0
135.04535	4.8
151.04012	3.7
154.35443	1.5
157.06636	2.2
161.02403	2.8
165.05606	3.4
166.77992	1.4
168.82744	1.5
175.07677	7.9
177.05652	1.9
179.14168	1.6
181.08705	1.5
188.08400	3.2
201.05638	1.9
213.09560	1.8
218.05476	1.7
226.09625	2.3
227.10579	1.8
293.21332	7.7
321.11185	4.2
383.15085	4.8
395.11636	2.5
395.17679	2.6
409.19739	5.2
427.13919	15.8
427.20526	28.7
427.28806	5.3
428.14304	2.1
428.20981	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	427.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99900	0.7
59.01385	100.0
59.61691	0.8
60.01722	0.9
62.08160	0.7
63.34854	0.7
71.54723	0.8
71.55142	1.0
71.66373	0.7
79.05538	0.7
81.03472	4.0
93.03505	1.1
96.96036	1.3
99.74970	0.7
106.04248	0.7
107.05034	6.9
108.02212	0.7
109.02975	1.3
110.39777	0.7
111.00964	1.1
117.03496	1.8
119.05039	1.4
121.03011	1.7
122.03781	1.2
123.04559	1.7
132.86467	0.7
133.02985	1.5
134.03787	2.1
135.04565	2.6
136.05309	1.1
149.02492	1.0
149.06110	2.3
151.04021	14.8
154.52174	0.7
157.06564	9.2
159.04521	1.5
161.02518	1.6
175.07658	23.7
176.08069	1.4
181.08662	3.7
193.04997	0.8
201.05573	6.9
203.10896	3.4
219.06729	1.3
221.08299	0.8
225.09303	2.9
241.08940	1.0
243.10295	1.9
255.06889	0.9
269.08289	0.8
274.70508	0.8
279.10495	1.4
289.05356	0.8
289.08636	1.2
291.10400	1.0
293.08398	2.0
295.09995	1.0
295.23093	2.1
307.09964	2.3
319.09683	3.4
321.11298	12.5
322.11801	1.4
323.09232	6.2
333.11447	1.1
335.09433	3.2
336.10086	1.9
338.11664	2.6
344.94785	1.0
351.12390	11.1
352.12732	1.6
353.10263	1.1
353.14288	2.2
363.09021	2.6
365.14081	1.6
383.15002	20.4
383.19705	1.1
384.15778	2.2
395.07126	0.8
395.11160	4.2
427.14145	2.3
427.20822	6.7
427.28772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.213
Annotation	Andilesin
Peak:m/z	Relative Intensity
57.03516	0.6
59.01435	1.1
60.46320	0.5
67.01959	7.7
67.56224	0.6
69.92305	2.2
77.04050	5.0
77.55669	0.5
95.05074	0.6
96.96017	4.3
98.10234	0.6
105.03474	12.4
107.05104	0.6
121.03027	1.0
130.04327	0.9
134.03864	0.9
135.04611	1.5
136.05315	3.7
148.05276	4.2
149.02480	0.8
159.66100	0.5
161.02525	0.8
162.03320	2.1
167.41338	0.5
171.08279	1.5
173.02556	1.1
183.08162	17.5
184.08479	0.8
193.06548	0.6
195.11920	2.0
197.09920	0.6
207.08421	0.7
209.09740	11.3
210.10141	1.1
211.11424	1.9
221.09845	1.5
225.09201	1.5
227.10783	8.8
228.11258	1.0
239.10800	21.3
240.07970	1.1
240.11224	1.4
253.08719	5.1
254.09235	0.8
329.18820	0.6
347.20236	1.1
373.18008	0.8
391.19211	3.5
409.20230	100.0
410.20566	12.6
427.21243	55.1
428.21484	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	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
58.00702	1.2
59.01385	100.0
61.98819	1.6
62.26493	1.1
63.20595	1.3
65.77422	1.2
70.06730	5.9
81.08858	1.2
94.81709	1.2
96.96014	3.7
107.05060	3.1
117.03457	1.2
122.03683	1.5
125.02414	2.9
134.65125	1.3
135.04524	6.9
137.06055	2.0
140.10721	1.3
148.05324	2.3
175.07663	9.2
203.07104	3.1
221.08174	1.9
222.08534	2.5
223.08838	1.4
225.09178	1.5
235.16928	3.6
259.09836	5.8
275.20154	7.3
284.06754	2.2
285.07681	4.4
293.21033	2.6
319.09839	2.1
321.11026	1.3
335.09360	1.8
351.08661	3.7
351.12503	2.0
395.11215	1.7
409.19516	1.6
427.13803	10.3
427.20303	16.0
427.28818	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	427.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70412	0.6
57.03435	1.5
58.25986	0.5
59.78109	0.4
70.41351	0.5
74.07165	0.5
87.04527	2.8
91.05544	0.8
98.20649	1.4
107.05044	4.8
115.18974	0.5
119.05029	1.5
122.03729	1.0
123.08155	1.9
135.04535	16.5
136.05293	0.7
149.06036	0.7
157.06598	2.3
161.02544	1.0
169.06656	0.6
171.08183	1.7
173.02364	0.6
173.06152	0.6
173.09726	1.2
175.07646	1.4
189.09125	0.5
201.05443	0.7
204.11606	0.7
209.09749	1.1
211.07530	0.7
212.08453	1.2
213.09245	5.7
215.07141	0.7
225.09241	9.1
226.10008	6.7
227.10561	1.0
237.09195	1.3
243.06735	0.7
251.14403	2.2
253.08858	0.8
263.14371	1.1
269.08145	0.9
275.14432	0.8
277.16031	4.8
278.16208	0.6
279.17416	0.8
293.15659	0.9
295.13715	0.7
295.17038	11.5
296.17493	1.6
307.17044	1.6
321.14941	1.5
325.18341	0.9
339.19678	2.5
365.21332	1.8
383.22382	6.5
384.22522	1.5
388.19257	0.6
391.19226	0.8
409.20212	44.3
410.20538	4.5
427.21255	100.0
428.21606	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	427.213
Annotation	Andilesin
Peak:m/z	Relative Intensity
57.16232	0.5
59.01372	1.6
59.03637	0.4
59.97701	0.4
62.83582	0.5
69.21938	1.3
69.22363	3.7
81.03481	0.5
83.01371	0.6
83.05018	0.7
92.26427	0.5
107.05035	5.8
108.02194	0.7
113.37549	0.5
119.05048	1.1
121.02926	0.5
122.03754	3.2
123.08160	0.5
124.53299	0.5
133.02965	0.5
134.03690	0.7
135.03502	1.0
135.04543	18.0
136.01656	2.0
136.04953	0.6
137.02454	1.7
137.09685	0.7
146.11493	0.5
149.02477	0.7
149.06084	0.5
157.06569	0.8
161.02492	1.2
163.00313	0.7
164.01207	1.4
165.01872	1.2
169.10226	0.8
171.08167	2.0
175.07645	1.4
175.61865	0.5
176.90387	0.5
181.10246	0.7
208.84702	0.5
212.08566	0.6
213.09239	26.3
214.09581	1.8
225.07025	0.8
225.09232	12.5
226.09993	14.9
227.10620	4.2
239.10864	0.8
240.08058	0.6
265.15903	0.6
281.15387	0.6
285.07629	0.8
309.18637	12.6
310.18991	1.7
321.18579	1.5
327.05276	1.3
337.07227	0.8
339.19690	1.1
341.06726	1.4
342.07245	0.9
347.20166	7.6
348.20380	0.9
357.09525	1.0
365.21216	9.6
366.21695	1.1
367.11880	1.4
383.22256	8.1
384.22458	1.3
397.09265	1.0
409.20239	39.2
410.20557	6.5
427.14148	14.8
427.21240	100.0
428.14459	1.9
428.21576	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	427.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19947	0.5
51.48682	0.5
55.01869	0.6
56.33060	0.4
57.03461	1.4
58.00615	0.9
59.01385	100.0
60.01715	1.1
64.74533	0.5
69.03463	1.6
69.81156	0.5
69.91769	1.9
71.01390	20.0
72.99319	0.7
73.02952	19.1
79.84093	0.5
83.01395	5.3
83.05061	1.7
85.02957	3.7
87.00894	2.0
89.02457	8.1
89.02966	0.8
95.01401	1.2
97.02964	0.8
98.19932	0.5
99.00874	1.3
99.04535	1.6
101.02449	16.7
110.59921	0.5
113.02452	9.3
119.03510	2.9
123.08146	1.3
125.02476	0.8
131.03508	1.3
134.03749	1.3
135.04523	0.6
143.03503	1.2
147.08197	1.3
147.26855	0.5
149.04520	0.8
151.07684	2.0
153.09196	1.2
159.11826	1.9
161.04578	3.3
163.11292	5.5
165.09227	2.9
177.12909	1.1
179.05737	0.7
179.07213	1.6
179.10826	0.7
185.76970	0.5
187.11330	1.5
190.10023	0.8
203.10840	4.2
204.11205	0.6
205.12346	31.2
206.12732	2.0
223.06097	4.2
223.13397	3.4
247.09805	1.7
251.07845	0.7
313.11133	0.5
367.17697	1.2
385.18686	1.2
427.12280	1.4
427.18561	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	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.03447	0.6
57.13782	0.4
59.01385	6.3
61.98842	0.6
66.26244	0.4
67.01888	0.9
69.51287	0.4
71.01395	0.8
79.05546	4.6
83.01417	1.0
85.02959	0.7
93.71908	0.4
95.01411	0.7
96.63593	0.4
96.96059	0.6
97.97601	0.5
99.92578	0.5
101.02445	0.9
107.05048	1.5
109.02940	0.5
111.00905	2.0
111.27093	0.5
113.02470	0.7
115.92073	0.7
116.92864	1.0
119.05043	1.2
121.02946	0.7
121.06595	6.2
122.03689	0.5
123.04536	100.0
124.04846	3.9
125.02437	0.8
133.02953	0.9
135.04538	0.7
136.01654	0.7
137.02487	0.6
148.01654	0.5
149.04520	0.5
151.11359	0.7
161.02419	0.4
163.11317	1.4
175.03996	0.6
175.07632	2.9
177.12881	2.6
178.13254	0.6
193.05049	1.1
199.07709	0.5
201.05515	0.9
206.05872	0.6
207.13802	0.6
219.06635	0.7
219.13911	4.4
221.11833	23.0
222.12196	1.7
225.09283	1.8
233.59052	0.4
243.06677	1.5
245.11803	0.8
255.06714	0.5
263.12872	4.1
265.10818	36.6
266.11212	2.4
269.08179	4.2
279.53491	0.4
284.07101	0.7
285.07755	3.6
286.08365	0.5
307.11896	2.5
318.07568	0.5
335.09567	1.2
354.04086	0.4
363.08810	0.7
367.11963	0.4
374.57581	0.4
395.11478	1.3
427.13889	9.2
427.20026	0.8
428.14355	1.5
451.00766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.2
60.26911	1.4
71.01394	2.6
71.55426	1.5
73.45696	1.1
79.05541	4.1
83.01403	2.9
84.34177	1.2
92.12129	1.2
95.01385	1.8
105.97356	1.2
107.05037	19.9
115.92091	1.3
116.58922	1.2
121.02911	1.7
123.00907	10.3
131.08704	1.5
135.00903	1.7
137.02420	3.0
138.02232	1.2
138.03198	6.7
143.05035	1.4
145.30371	1.2
151.00346	3.0
153.05544	2.0
157.06601	5.8
159.04533	5.1
161.02438	4.2
163.00380	5.2
164.01161	1.8
165.01979	2.1
166.02705	2.2
166.99834	6.0
173.06065	1.6
175.07654	48.3
176.04831	1.2
176.08008	2.2
177.01926	2.8
178.02661	4.3
179.03413	3.0
181.05128	1.7
182.02226	9.4
187.04012	3.8
187.07639	4.6
188.04829	1.8
192.04303	2.1
193.05049	2.3
195.02974	1.9
197.04559	5.2
201.05635	7.0
203.07216	7.2
205.01350	1.3
207.06635	1.4
209.04575	1.5
210.01686	1.3
210.05336	1.5
214.06363	8.4
215.07144	13.3
219.06589	5.2
229.08730	2.4
245.08102	3.4
255.06749	2.1
265.08511	2.1
281.08194	1.9
282.05225	2.0
293.08191	4.7
309.07660	2.4
309.20462	1.5
321.07620	1.8
324.10114	2.5
337.07199	32.6
337.80386	1.2
338.07520	4.8
339.12115	1.3
349.07010	3.3
351.09082	1.2
352.09521	16.1
353.09702	2.2
364.09988	1.6
367.11880	38.3
368.12137	5.0
369.13535	1.6
379.12161	1.4
397.13037	2.4
409.12894	4.7
427.13986	100.0
428.14224	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	427.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64677	3.3
59.01385	37.2
63.60997	3.5
64.51718	2.6
66.91438	3.4
68.73615	2.9
71.55668	3.7
78.84377	2.8
79.05530	5.0
87.00901	3.7
93.03467	4.1
95.01453	4.0
95.05019	4.1
107.05028	29.1
108.02170	6.1
117.03503	4.8
121.02911	3.0
122.03754	3.6
123.04541	8.3
133.02959	9.6
134.03729	7.0
135.04514	9.8
136.05293	5.3
149.06050	6.0
151.04047	27.2
157.06607	34.2
157.88951	2.9
158.06898	4.7
159.04517	13.1
161.02470	26.9
163.03999	5.0
173.06076	5.1
174.06874	3.8
175.07668	76.1
176.07928	5.6
187.04004	9.5
190.06395	4.3
191.07056	3.5
193.05031	11.8
197.06090	5.1
201.05579	31.9
202.06120	5.0
211.03981	6.3
211.07639	3.6
219.06583	3.9
225.05453	3.3
225.09103	4.2
227.07159	4.5
227.10770	14.8
237.09148	3.7
239.07001	5.7
249.05440	4.0
251.03354	5.0
253.05048	3.5
253.08609	8.3
254.09224	3.1
263.10648	3.5
265.05179	5.0
265.08627	15.6
265.11111	3.0
266.08926	5.3
267.06622	4.5
273.08624	3.5
275.07169	6.6
275.10965	4.0
279.10156	8.1
281.08197	13.9
283.09824	3.5
290.09378	3.3
291.10254	22.6
293.08170	22.7
294.08432	4.4
301.08862	3.4
305.08359	4.9
307.09863	21.0
307.16956	3.5
308.10480	6.1
309.07825	6.0
309.11264	5.2
317.08127	4.3
318.08966	4.0
319.09784	31.4
320.10110	5.0
321.07745	7.3
325.10812	4.6
333.11313	11.2
335.09210	46.0
336.09915	30.3
337.10590	7.8
350.11566	5.0
351.12369	100.0
352.12695	11.5
353.10294	16.7
363.08762	74.8
364.09067	6.4
365.13834	22.6
365.20972	9.8
383.14993	77.8
384.15259	9.0
395.11368	88.4
396.11627	9.3
409.19653	11.8
427.13928	57.2
427.20856	46.7
427.28000	8.5
428.14215	11.0
428.21408	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	427.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74094	1.2
59.00463	1.3
59.01387	12.3
60.95975	1.2
61.98822	2.1
67.01883	5.4
69.03439	1.4
71.54775	2.1
79.05520	6.4
81.03459	13.8
83.01423	1.4
87.00878	1.3
89.03977	2.1
93.03485	1.7
93.77246	1.3
94.61691	1.2
96.96025	2.3
105.03447	2.3
106.04218	2.1
107.05038	29.1
108.02176	2.3
109.02944	3.8
116.62981	1.3
117.03477	7.6
119.05035	2.6
121.02959	9.1
123.04530	4.4
125.02429	1.6
129.07098	2.4
131.08624	2.3
133.02933	4.4
134.03773	8.6
135.04550	7.5
136.05238	4.8
138.03313	1.6
148.01689	1.7
149.06067	11.4
151.04019	65.9
152.04344	2.3
157.05264	3.4
157.06589	41.7
158.06949	2.0
159.04480	7.7
160.05301	1.5
161.02425	6.1
165.05576	1.4
173.06030	1.9
175.07654	100.0
176.07953	6.0
177.01842	1.4
181.08731	12.9
183.08237	2.3
187.03995	4.6
187.07648	2.3
188.04846	1.3
190.06332	1.5
193.05074	2.2
199.07677	1.5
201.05589	32.3
202.06157	3.8
203.07149	1.9
209.06071	1.8
213.09172	1.9
219.06566	3.0
225.09219	16.8
226.09474	2.2
227.07080	4.4
227.10796	6.2
232.30699	1.4
237.05560	1.4
239.07065	2.4
241.08865	6.2
241.11842	1.2
243.10187	6.0
243.69931	1.4
249.09190	1.5
251.07352	1.7
255.06575	2.7
263.10635	2.0
263.40930	1.2
265.08679	5.4
269.08182	4.6
277.08582	3.2
279.10275	4.2
280.14270	1.7
281.08121	3.4
283.09766	2.6
288.68954	1.3
289.05142	1.5
289.08652	3.1
291.10144	4.4
293.05020	1.6
293.08139	7.0
295.09750	3.2
301.08636	1.9
305.08209	2.2
306.08972	2.9
307.09796	8.9
307.12756	1.6
308.10147	2.0
309.07709	1.6
319.09750	12.8
320.10364	1.8
321.07935	3.0
321.11319	54.9
322.11615	7.0
323.09244	28.9
323.12723	1.6
324.09735	3.0
325.10703	2.8
333.11255	3.9
335.09348	14.1
335.13022	2.2
336.09955	10.0
337.10757	2.6
338.11490	8.9
342.14218	4.2
350.11569	3.1
351.12375	51.2
352.12720	5.1
353.10156	7.8
353.13965	13.4
354.14325	1.8
363.08676	9.8
365.14017	7.9
376.57260	1.8
383.15012	95.1
384.15274	15.4
392.95657	1.3
395.11349	16.4
396.11539	2.2
409.20074	5.3
427.13895	18.7
427.21002	24.8
428.14389	2.2
428.21100	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.4
67.02903	0.4
68.31567	0.5
69.25153	4.4
71.01378	1.0
89.03985	0.6
93.03440	0.5
95.05014	0.7
98.19863	0.8
98.67152	0.5
99.30034	0.4
103.46388	0.5
106.04265	1.2
109.02957	1.2
117.03512	1.3
121.02958	1.6
123.04499	0.9
130.04242	2.4
133.02995	3.1
135.04536	0.8
136.01668	1.4
137.02438	1.4
138.03246	0.6
139.00807	0.5
145.02985	0.7
145.06599	3.1
147.08159	1.3
147.33932	0.6
148.05344	0.9
149.02495	2.8
150.03255	1.1
157.06633	2.5
159.04480	1.0
160.05301	0.7
161.02464	11.2
162.03049	0.8
163.03853	0.5
163.07654	3.0
165.01872	0.6
173.06110	1.5
175.03973	1.5
175.07628	2.0
176.01128	1.0
176.04782	1.5
177.01918	6.6
178.02382	0.6
188.04826	0.5
189.05560	2.9
191.03479	1.8
191.07144	3.2
192.04282	2.0
200.01770	0.5
201.05579	5.0
203.07072	1.2
205.08574	0.5
207.06650	0.7
217.05052	0.9
219.06639	24.7
220.06998	1.5
237.07648	2.5
311.05087	0.6
322.08942	0.5
323.05737	1.3
324.06235	0.7
335.09232	0.7
339.08661	0.6
351.08661	0.9
353.10339	4.1
364.09601	0.6
367.08109	1.7
368.08240	0.5
369.09912	1.6
377.10214	1.1
379.08142	1.4
382.10168	0.8
383.11349	1.1
394.10715	0.8
395.11365	8.3
396.11850	1.1
397.08835	8.1
397.13171	2.1
398.09476	1.2
409.12894	2.7
411.10840	1.7
412.11575	3.9
413.11914	0.8
427.13980	100.0
428.14328	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.14
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69852	1.1
59.01374	1.2
69.51199	2.7
69.51608	5.5
79.05527	3.5
81.03458	1.1
83.01386	6.4
92.23149	1.3
95.01372	3.3
98.20644	1.8
101.39058	1.1
105.03477	5.2
107.05034	15.0
108.68397	1.0
109.94473	1.2
111.00170	2.3
111.00899	26.8
117.03509	2.4
119.04996	1.2
123.00885	1.7
124.01700	2.5
125.02448	4.6
129.07094	1.4
130.56578	1.2
131.08705	1.5
133.02960	21.6
134.03745	2.4
135.04512	6.8
139.04024	6.9
141.05667	1.5
148.01636	2.7
149.02434	1.4
150.03221	2.4
153.01880	1.7
157.06607	10.3
159.04504	2.9
161.02461	9.8
163.04041	5.1
165.05614	3.4
175.07654	52.4
176.07993	3.2
177.01981	1.6
178.02722	2.5
193.05066	17.3
194.05479	1.2
197.06065	1.4
197.09680	1.8
199.07672	13.4
201.05589	13.2
211.07741	2.2
213.09193	4.5
219.03035	1.9
219.06564	2.5
223.07704	1.8
225.05637	1.2
225.09245	18.1
226.09521	2.1
227.07144	1.8
241.05130	3.0
241.08801	7.8
243.06650	30.0
244.06937	1.8
255.06641	3.6
256.07404	11.7
257.08133	2.4
269.08215	63.3
270.08517	4.2
284.06915	10.3
285.07703	67.3
286.08429	14.0
287.09201	1.3
288.06293	1.2
291.10376	3.0
306.08759	1.5
307.09866	3.1
318.07434	9.9
319.09750	2.8
323.12698	1.5
335.09262	18.9
336.09891	2.7
337.07120	4.4
349.10892	1.3
350.07697	1.4
351.12466	2.2
363.08752	9.8
365.10358	4.8
367.11868	14.9
368.12292	2.2
377.10306	1.9
395.11304	22.6
396.11697	2.5
409.12869	2.9
427.13989	100.0
428.14270	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	427.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16908	1.7
59.01371	2.6
62.51066	1.5
66.47934	1.8
79.05549	2.1
95.01424	1.8
98.19853	3.6
107.05033	15.5
109.90932	1.8
123.00905	17.2
129.49135	1.7
135.00940	3.8
137.02438	3.2
138.03236	12.3
138.35243	1.8
151.00368	11.2
153.05577	6.6
157.06606	10.2
159.04514	2.3
159.79942	1.8
163.00386	6.6
164.01085	2.0
165.01912	3.2
166.02719	5.0
166.99857	4.3
175.07663	48.7
176.08086	2.3
177.01950	3.2
178.02707	2.6
180.04309	1.8
182.02203	7.7
187.07707	7.4
192.04225	1.9
195.02968	2.9
197.04579	3.1
201.05556	12.1
203.07121	3.7
207.06628	2.9
214.06311	8.8
215.07153	24.7
216.07462	1.9
217.08678	2.7
217.55031	2.0
219.06622	11.9
222.14276	1.8
223.07761	2.2
229.08765	4.9
241.08627	2.1
245.08199	6.2
255.06642	3.4
256.06995	1.9
265.08813	2.7
281.08298	2.7
293.08179	11.2
309.07813	6.4
321.07742	4.2
324.10126	3.1
335.09265	2.8
337.07211	84.2
338.07507	7.8
339.12576	2.4
349.07089	5.8
351.08835	2.2
352.09454	27.3
353.09946	2.0
364.09570	3.7
367.11887	100.0
368.12280	13.0
379.12030	3.4
397.13104	2.8
409.12949	4.0
412.11801	2.2
427.14014	82.2
428.14154	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	427.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80362	1.2
51.68014	1.2
54.18373	1.2
57.75388	1.2
59.01380	7.0
65.03975	2.4
67.01903	4.3
69.48410	9.2
79.05544	6.2
81.03479	16.1
89.03967	2.9
99.04539	1.5
99.99619	1.4
105.07139	1.7
106.04275	1.5
107.04320	1.7
107.05038	29.3
108.02171	2.6
109.02994	4.5
111.00870	3.6
113.53024	1.3
117.03470	9.0
119.05044	1.9
121.02965	9.0
121.06553	2.1
123.04549	4.0
131.05006	2.5
131.08702	3.4
133.02965	3.9
133.06578	2.3
134.03748	9.4
135.00929	1.3
135.04549	4.3
136.05312	4.9
138.20822	1.3
143.05020	1.8
149.06084	11.9
151.04021	57.8
152.04358	2.7
154.91096	1.5
157.05223	3.7
157.06590	37.1
159.04520	10.1
160.05223	1.3
161.02455	4.6
165.01917	3.8
165.05579	1.5
166.06395	2.4
173.06152	2.0
175.07657	100.0
176.08000	6.2
181.08711	13.8
187.03987	5.0
188.08382	1.5
193.05040	2.5
195.04494	1.4
199.07635	2.1
201.05592	31.9
202.06313	4.7
213.09167	1.5
217.08813	1.7
225.09206	18.7
226.09659	2.3
227.07185	2.2
239.07188	1.4
241.08755	4.6
242.29790	1.4
243.06686	1.5
243.10301	4.8
247.07814	1.3
253.08763	3.4
255.06845	1.9
261.09253	1.5
263.10904	2.0
265.05072	2.9
265.08740	2.4
269.08179	7.2
275.07120	1.7
277.08801	4.6
279.06900	1.3
279.10193	3.1
281.08200	2.9
285.07565	2.4
289.08719	4.1
291.06882	2.6
291.10379	6.6
293.08252	6.2
295.09851	2.1
301.08746	1.9
306.09009	2.7
307.09814	8.6
308.06955	1.5
308.10413	1.9
318.08997	2.1
319.09787	10.5
321.07901	3.0
321.11322	54.4
322.08502	1.8
322.11707	7.4
323.09280	34.3
323.12836	1.1
324.09692	3.2
325.10849	2.2
333.11160	4.4
335.09256	16.1
336.09900	10.6
337.10767	3.1
338.11600	5.3
339.12317	1.9
350.11713	3.0
351.12411	47.7
352.12732	4.8
353.10175	6.8
353.14020	11.1
363.08664	10.5
364.09225	1.6
365.13864	6.6
383.15027	91.8
384.15247	10.4
395.11417	17.6
396.11923	2.7
427.13931	17.0
427.20770	10.0
428.14218	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.14
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48972	0.6
59.01385	1.1
62.80778	0.8
65.00335	1.5
65.03961	0.8
67.98382	0.7
68.99810	1.0
69.70087	4.2
74.31937	0.7
79.05526	1.1
81.07101	1.4
83.01421	1.7
98.19923	1.6
105.07102	5.3
107.05042	12.2
109.03046	0.9
120.70626	0.7
123.08184	3.4
124.01715	1.1
129.07123	1.8
131.05019	1.2
131.08652	1.1
133.02965	2.1
133.06587	5.4
135.00845	1.0
135.04549	1.2
136.01707	1.1
136.05298	1.0
137.02446	1.6
145.06665	1.1
147.08170	30.6
148.08458	1.0
149.02483	4.7
149.06097	8.4
149.99710	0.9
151.07687	3.1
161.02519	1.3
163.00403	1.3
164.04852	3.7
165.02046	1.0
173.06084	1.5
173.09734	0.8
175.00401	1.9
175.04048	1.4
175.07658	5.2
176.01163	2.4
177.01941	6.8
177.05544	0.9
189.05586	1.0
190.06374	2.6
191.03523	3.0
191.07152	96.4
192.04335	1.2
192.07509	5.3
203.03528	1.4
203.07118	1.9
205.01471	3.7
217.05066	3.0
217.08647	3.0
218.05806	2.5
219.06642	20.0
220.03816	2.8
220.07051	2.1
227.10796	2.5
228.11113	0.8
235.06140	3.9
243.09286	1.0
261.07767	0.8
285.07590	0.9
286.07877	1.3
287.08374	2.0
316.19022	0.8
351.05157	1.0
366.36853	0.8
369.09735	6.2
383.15262	1.6
383.22296	1.5
391.19223	0.9
395.11444	3.2
396.11847	0.9
397.09293	15.8
398.09866	1.5
409.13654	1.4
409.19501	3.8
411.10980	2.5
412.11404	4.6
427.14023	100.0
427.20648	10.8
428.14322	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	427.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
59.01385	4.9
61.20329	0.7
61.45933	0.7
61.98827	2.4
63.02407	0.9
69.08392	0.7
70.92079	1.7
70.92411	1.6
71.41800	0.9
71.99434	0.8
79.05534	2.2
81.03497	1.2
82.38443	0.8
83.01385	8.9
87.04516	0.9
87.76936	0.8
93.03459	1.6
95.01389	4.2
105.03438	5.8
107.05035	15.7
111.00891	30.2
111.04507	0.9
111.52577	1.0
117.03510	2.7
119.05019	1.3
121.02950	1.9
122.03764	2.5
123.04568	1.6
124.01685	8.9
125.02464	15.3
129.07077	0.9
129.24425	0.7
131.08675	1.1
132.02193	1.5
133.02975	19.1
134.03738	1.2
135.04538	8.1
136.05322	1.3
139.00397	1.8
139.04012	7.0
139.76671	0.9
148.01663	2.6
149.02440	2.1
150.03252	2.9
151.04036	1.2
153.01917	4.8
157.06599	11.0
159.04530	2.2
161.02444	14.2
163.00439	1.8
163.04092	5.5
164.04764	2.6
165.05582	4.3
171.89690	0.8
173.06108	1.3
175.03990	2.2
175.07654	49.3
176.01247	1.1
176.07990	2.4
177.01930	2.0
178.02789	4.8
181.06577	0.9
183.04547	1.2
186.03186	1.3
187.04031	1.0
189.01968	1.1
193.05052	16.9
197.06119	1.2
197.09782	2.6
197.11819	0.9
198.06920	1.0
199.07637	10.4
201.05598	12.8
202.06238	1.1
211.07654	3.1
213.09172	5.6
214.09590	1.9
215.03545	1.3
217.05063	1.1
219.03186	1.3
219.06647	3.2
223.07578	1.0
225.09251	23.0
226.09683	3.5
227.07117	1.9
235.06055	1.6
237.09279	3.3
238.09602	3.0
239.09776	2.5
241.05013	2.8
241.08675	8.2
242.09094	1.3
243.06638	30.1
243.08818	1.1
244.06984	2.0
255.02838	1.2
255.06654	3.3
256.07413	11.8
257.08170	3.4
258.08929	1.1
259.09799	1.2
269.08197	57.7
270.08472	6.3
283.09055	1.4
284.06934	12.3
285.07693	63.1
286.08286	16.2
287.08542	2.0
288.06378	1.6
291.10223	3.4
295.15442	4.7
306.09088	0.9
307.09769	2.3
318.07391	11.3
319.09692	3.3
321.11493	1.3
321.17108	9.9
323.12921	1.1
335.09262	19.4
336.09595	3.8
349.10724	1.6
362.07800	1.2
363.08768	10.9
364.09137	1.2
365.10233	5.7
367.11896	12.6
368.12161	1.8
377.10349	2.1
383.21851	2.4
395.11368	18.7
396.11713	3.0
397.09177	4.2
409.13260	2.2
409.19589	3.8
412.11789	1.8
427.13974	100.0
427.20901	27.7
428.09045	0.7
428.14346	16.8
428.21362	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	427.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.3
69.63421	3.5
89.03986	0.6
94.55311	0.6
95.01356	0.6
105.03465	11.6
108.02193	0.8
109.02982	1.0
121.02966	3.4
122.03754	1.7
123.00877	1.0
123.04520	2.0
133.02977	2.4
136.01656	4.6
137.02431	2.1
149.02451	27.1
149.06097	1.2
150.03249	4.6
157.06570	2.6
161.02425	0.9
165.01915	1.4
167.03523	2.8
175.04024	2.0
176.01152	1.5
177.01941	13.6
182.02235	0.7
183.40105	0.5
191.03539	4.5
192.04266	3.3
201.05548	1.9
219.03156	0.9
219.06633	5.6
283.06213	1.4
296.06754	0.8
299.05490	1.0
309.03745	0.6
313.07144	2.0
323.05560	0.9
324.06433	1.0
325.07224	2.9
327.05103	12.6
328.05472	1.0
341.06509	3.1
342.07483	8.1
343.07669	1.0
357.09821	23.2
358.10165	2.6
377.48599	0.7
388.35306	0.6
394.10614	0.8
397.09445	2.8
409.13086	2.3
411.10718	1.2
412.11880	1.5
427.13977	100.0
428.14346	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	427.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04838	0.5
59.01383	6.1
65.00327	1.2
66.03040	0.6
67.01894	0.9
68.99819	0.8
69.03460	0.5
69.54932	3.3
73.02975	0.9
83.01410	0.5
97.06603	0.7
101.02438	0.8
105.07076	0.5
108.02163	1.2
109.02963	0.7
109.24601	0.5
111.00893	1.1
114.90298	0.5
119.04987	0.7
121.02969	0.9
121.06555	0.7
123.04530	0.6
123.08157	0.7
124.01586	0.7
125.06050	0.8
129.07129	0.7
131.05083	0.7
133.03001	0.8
136.01704	1.1
137.02441	1.7
137.06064	2.0
145.06586	0.7
149.02420	1.2
149.06088	4.5
152.01166	0.7
160.21144	0.6
160.84216	2.3
161.02435	0.9
161.06091	1.2
163.00414	0.8
163.04025	1.2
165.01904	0.6
165.05560	1.6
167.07140	4.1
172.84695	0.5
173.06050	2.5
175.03975	1.4
176.01134	2.1
176.04584	0.5
177.01923	2.1
177.05531	1.0
187.04031	0.7
189.01936	1.5
189.05544	1.5
190.06271	0.6
191.07095	2.8
191.24434	0.7
199.04016	0.6
201.01874	0.5
202.02771	0.9
203.03505	2.2
204.04150	1.0
205.05067	2.2
206.05595	0.6
207.06590	1.9
217.05008	3.8
218.05682	0.6
219.06555	1.1
225.09262	0.6
231.06671	1.9
235.06123	14.2
236.06596	0.7
239.10829	0.9
243.06706	1.4
255.06255	0.5
260.73950	0.6
261.07654	4.5
267.02957	0.7
268.64151	0.5
353.06464	0.6
367.08136	1.1
369.09766	3.9
370.10474	0.7
377.10641	0.6
379.08203	1.4
383.11368	1.9
395.11508	3.9
397.09201	18.8
398.09711	2.1
409.13162	0.8
411.10883	4.7
412.11548	4.8
427.13998	100.0
428.14279	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	427.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76785	0.3
57.03441	0.4
59.01384	15.4
61.21733	0.3
70.91468	0.5
70.91837	0.8
71.01381	1.0
73.02950	0.9
85.02946	0.6
85.73312	0.4
88.75759	0.4
89.02428	0.6
93.03480	0.5
95.04865	0.4
95.76893	0.4
101.02441	0.6
105.03467	18.9
106.03844	0.8
108.02206	0.4
113.02419	0.6
114.10258	0.3
118.30309	0.3
121.02969	2.7
121.06596	0.6
122.03760	0.4
123.00921	0.5
123.04506	0.9
133.02982	1.2
136.01639	2.3
137.02463	0.7
141.02081	0.3
145.06587	0.5
147.04494	0.5
148.01709	0.8
149.02446	33.5
150.02820	1.5
158.03691	0.6
159.00856	0.6
161.02454	1.4
162.03232	0.4
163.07668	3.0
167.03505	11.5
168.03825	0.5
173.06062	2.4
174.03329	0.4
175.04010	6.6
176.04733	0.6
177.01886	1.1
177.05505	0.6
189.01912	0.8
189.05588	0.9
191.07187	1.0
193.12375	0.4
203.03458	1.5
217.05070	7.8
218.05318	0.7
223.03757	0.3
223.13396	0.5
235.06122	19.8
236.06454	1.5
253.07246	1.5
261.07657	1.2
263.07584	0.7
267.06689	0.4
283.06100	0.8
295.18982	0.6
297.07809	1.0
308.06915	0.6
311.05640	9.4
312.06073	1.2
325.07281	1.7
326.07971	9.0
327.08334	1.3
341.10309	18.4
342.10748	2.5
351.08682	1.2
358.06949	1.0
369.09769	1.1
379.08197	0.8
381.13367	0.8
383.11234	0.7
397.09305	5.9
398.09677	0.9
409.12985	1.4
411.10773	1.3
412.11597	2.0
427.13974	100.0
428.14325	13.8
428.20236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84633	2.2
59.01392	12.8
70.86376	4.5
79.05538	5.4
87.00880	4.7
105.07129	3.1
107.05048	23.0
109.02947	4.1
116.48273	2.4
117.03484	5.7
121.02995	2.9
121.62005	2.7
123.04543	5.9
133.02986	7.3
134.03761	3.6
135.04538	5.5
149.06108	5.6
151.04037	30.2
157.06606	33.3
158.06848	2.8
159.04556	11.5
160.05377	2.3
161.02444	16.9
173.06067	3.7
175.07654	68.2
176.07991	4.8
185.02490	2.4
187.03996	6.4
190.06393	2.6
193.05067	13.1
195.04401	3.1
199.04146	2.9
201.05577	30.7
202.06216	3.9
209.06070	2.7
211.04060	3.6
213.05707	2.7
216.20856	2.6
223.07570	2.8
227.07138	5.2
235.04204	2.9
237.09357	3.8
239.07088	3.2
245.09750	2.6
247.07809	3.0
249.05714	3.7
249.09041	3.7
251.03505	2.6
253.08771	5.4
254.09456	3.7
255.06606	5.2
258.08936	3.7
263.03430	3.5
263.10593	3.1
265.05240	3.3
265.08725	13.9
267.06686	7.6
275.03830	3.1
275.07230	6.2
277.04984	3.5
277.08588	3.9
279.10284	4.3
280.07559	3.2
281.08188	16.2
283.09903	4.2
291.10284	14.4
292.07782	2.8
292.10818	5.2
293.08139	22.2
294.08575	3.3
295.06354	3.0
301.08643	6.1
303.06732	3.1
305.08377	4.8
305.11734	3.3
305.16876	2.6
307.06610	4.2
307.09747	20.4
308.10358	4.9
309.07690	5.0
317.08063	8.3
318.08853	3.4
319.09735	34.5
320.10303	5.7
321.07709	9.6
325.10767	8.1
333.11270	12.9
334.11594	3.6
335.09280	55.6
335.12860	2.5
336.09912	27.3
337.10727	5.4
350.11658	10.8
351.12393	100.0
352.12839	11.2
353.10168	13.1
363.08774	76.6
364.09143	8.0
365.14001	26.8
383.15042	75.0
384.15405	10.8
395.11371	92.6
395.16531	4.0
396.11478	9.2
398.68335	2.5
427.14056	60.0
428.14346	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	427.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
64.33076	3.5
67.01905	4.2
69.26076	9.5
69.26488	22.3
69.48609	3.5
79.05549	3.6
81.03464	13.3
107.05029	20.4
114.61749	3.6
115.25187	3.2
117.03470	7.8
120.75440	3.3
121.02954	8.8
127.70222	3.4
133.03009	5.8
134.03712	9.0
135.04547	4.5
149.06082	13.2
151.04027	63.0
152.04314	4.5
157.06587	37.4
159.04546	5.0
161.02441	8.1
173.06136	4.1
175.07655	97.7
176.08130	4.5
181.08699	15.5
187.07680	3.8
198.03378	3.3
201.05602	31.9
219.06537	5.4
225.09172	11.5
227.07207	5.6
241.08665	4.1
265.08679	8.1
279.10452	4.4
281.08276	5.3
286.63531	3.6
290.09457	3.4
291.10321	5.9
295.16238	4.1
306.09094	5.4
307.09821	8.3
309.11197	4.6
319.09814	16.7
321.11353	56.0
322.11646	8.6
323.09241	28.8
325.11111	4.1
333.11438	5.9
335.09128	16.1
336.09781	10.3
338.11542	7.8
351.12396	57.5
352.12604	4.3
353.10178	8.6
353.13995	10.5
363.08829	8.6
365.13782	6.5
383.15054	89.3
384.15393	10.6
395.11456	16.4
411.58731	4.0
427.14291	7.9
427.20474	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	425.2339
Annotation	Dehydrogravicycle
Peak:m/z	Relative Intensity
50.57123	0.7
57.03456	1.5
59.01373	2.0
67.01902	1.2
83.05029	0.7
93.03465	0.8
96.96049	1.1
101.41439	0.7
107.05042	2.2
108.02154	0.9
119.05041	0.9
121.02954	1.2
122.17233	0.6
123.00864	0.8
125.09721	1.4
134.03766	1.8
135.04541	6.5
148.05325	0.7
149.02533	1.4
149.06085	3.6
150.03249	0.9
161.02484	0.7
163.00415	2.9
165.05606	0.7
171.08168	0.7
173.06100	0.9
175.07623	0.7
178.02747	0.8
183.08127	0.7
190.06256	0.7
191.07150	1.2
193.16003	1.8
193.48160	0.6
195.11734	0.7
212.08484	0.8
213.09164	0.8
217.05063	1.3
218.05588	0.6
225.09224	47.8
226.09802	9.8
227.10483	2.2
231.06645	1.2
237.09315	2.3
238.09961	1.0
239.10780	14.8
240.11177	1.4
241.12334	1.5
242.12616	0.9
253.12521	1.4
265.12314	1.8
272.10590	1.1
277.21863	1.1
279.13870	1.0
293.15427	1.4
307.16992	7.7
308.17441	0.7
323.20123	19.3
324.20459	3.1
363.23450	4.3
365.21512	0.9
379.23163	0.8
381.24365	24.5
382.24783	4.3
397.24063	0.7
407.18472	2.2
425.23410	100.0
426.23792	15.1
426.29440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
56.31696	1.4
57.03431	2.6
58.00598	2.1
59.01385	52.3
61.98844	15.9
69.03437	4.3
71.01012	2.8
71.01389	45.2
72.99300	5.1
73.02951	7.8
75.00481	2.0
75.00884	34.1
80.65483	1.3
83.01389	35.3
85.02950	12.4
87.00887	24.7
88.00427	3.1
89.02452	19.6
95.01393	5.0
96.95994	1.4
97.02953	3.1
99.00905	2.0
101.02460	18.2
108.02206	9.4
109.02934	2.5
111.00895	4.5
112.04162	1.5
113.02454	9.4
115.00374	1.5
119.03566	7.3
119.05019	2.7
122.03735	2.9
123.00870	1.4
123.04578	7.5
124.01645	2.8
129.01268	1.6
129.01981	18.1
132.02182	6.9
133.02948	6.6
134.03760	12.8
135.04530	4.3
136.04048	5.6
136.05101	1.3
137.02438	2.8
141.01918	3.6
145.02937	2.7
146.03737	2.2
147.04532	6.6
148.05321	70.7
149.02428	5.6
149.06114	12.4
151.03915	1.3
159.04509	10.4
160.01669	28.5
160.05276	5.6
161.02411	4.1
161.06046	1.7
162.03203	4.2
162.06761	2.9
163.04024	13.4
163.07671	70.1
164.04767	6.2
164.07935	3.0
165.04103	2.5
165.05508	1.4
171.04596	2.6
173.02454	4.2
174.03278	3.4
175.02554	2.9
175.04022	42.7
176.04753	10.5
177.05550	6.7
178.06372	24.7
179.03635	1.6
179.07063	5.2
186.03189	1.7
187.03998	6.5
188.03116	3.2
188.04811	58.0
189.05440	7.5
189.12851	1.5
190.02625	3.4
190.69641	1.5
191.07115	5.0
193.01326	2.1
193.05069	4.8
193.08736	5.3
202.10057	3.1
203.03436	3.5
203.07169	14.8
204.04324	7.2
205.05078	10.0
205.12314	6.2
206.05855	18.8
207.06334	1.9
208.03793	3.7
217.12263	2.9
219.05083	5.6
219.06857	2.5
220.07236	2.1
221.08208	68.4
222.08542	5.5
223.06091	5.2
223.09724	2.3
232.03792	8.4
233.08142	1.7
235.13536	3.0
247.06114	39.9
248.06537	2.8
254.44165	1.5
261.07690	3.0
264.06442	4.0
265.07196	13.0
267.08771	4.1
274.12555	1.5
279.12292	10.7
291.07059	2.5
295.11911	4.5
303.07248	53.4
304.07422	2.1
337.09348	5.2
383.08780	3.2
383.13483	39.5
384.13831	5.1
403.64053	1.9
427.12445	100.0
428.12485	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	425.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	8.7
70.44716	2.0
70.45101	2.2
72.30386	1.3
72.98286	0.9
79.05558	2.2
81.07135	1.5
83.05034	17.5
86.09402	0.9
93.03451	2.3
98.19958	1.1
103.05537	2.7
105.07126	3.3
107.05045	14.4
109.02968	1.0
112.93396	1.1
119.04961	1.2
121.02974	1.4
121.06599	1.3
123.08172	34.3
124.08569	1.3
129.07124	5.0
131.05032	13.8
134.03746	3.8
135.04611	1.5
137.02441	2.1
144.67767	1.1
145.06638	1.0
147.08089	1.2
149.02440	3.3
149.06094	16.2
150.03308	1.2
151.04068	1.1
159.04549	1.3
161.02400	1.8
161.06161	1.3
162.01485	1.1
172.05260	1.9
173.06079	19.1
175.04070	5.0
177.01971	1.3
181.10275	2.9
187.04001	1.2
189.05666	1.8
190.06314	2.1
191.07242	5.5
192.04408	1.2
195.78308	1.0
197.09769	1.6
211.07590	2.5
212.08583	1.4
213.09235	4.9
217.05064	100.0
218.05444	5.5
223.07697	1.4
225.07016	2.3
225.09229	45.4
226.09659	3.5
237.09236	3.7
239.07112	2.4
239.10835	3.2
241.08798	1.8
242.29726	1.0
256.07465	3.4
263.10706	1.2
265.12332	7.1
269.08203	24.1
270.08795	3.3
281.08325	5.5
291.10266	4.7
291.13861	1.1
303.13821	2.0
305.15298	1.5
309.11383	2.3
317.11865	1.6
320.12680	2.7
324.06348	3.3
331.13318	3.3
335.12891	2.1
347.12552	2.6
349.14343	9.5
352.05743	1.6
363.19800	3.4
365.13934	1.2
367.08237	17.3
368.08585	1.9
375.16031	37.5
376.16364	5.1
381.09775	1.2
381.20923	2.4
382.10675	2.6
389.17426	7.3
392.16159	1.2
393.17084	59.1
394.17395	7.1
407.18741	10.9
408.19012	2.4
425.12454	28.1
425.19662	22.3
426.12863	3.8
426.19861	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	425.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85614	0.5
69.56888	3.3
83.05020	1.4
87.04528	0.9
93.03463	2.4
95.47598	0.6
103.53657	0.5
106.04250	1.3
107.05032	1.8
108.02158	1.0
109.02935	1.6
109.06593	0.7
117.03567	0.6
119.05039	52.4
120.05342	2.0
121.02958	2.4
121.06588	0.6
122.03716	2.7
133.02934	0.7
134.03720	1.0
135.04555	4.6
136.01628	0.8
143.05026	1.3
145.02968	1.8
147.04491	0.6
148.01665	1.9
149.02432	0.8
150.03227	1.3
151.04088	0.7
152.01234	0.9
158.07442	0.6
159.04538	0.7
159.08086	0.8
161.02464	3.2
162.03218	2.1
163.03973	1.7
166.02730	0.8
173.06071	0.7
173.09709	2.4
174.03221	2.2
175.03912	0.7
175.07646	0.7
187.07605	0.8
191.10803	3.5
194.02173	1.1
199.65831	0.6
202.10207	0.5
203.07179	0.7
203.10724	1.4
213.09248	1.5
217.08768	1.4
223.05957	0.5
225.09218	3.2
226.09853	1.1
231.10258	2.0
237.12888	0.7
261.14987	6.1
263.14392	1.7
270.09317	0.6
273.15042	1.3
281.15503	5.4
287.12967	1.7
300.13589	3.0
301.14401	6.0
302.14630	0.8
305.13968	16.6
306.14383	1.2
307.13535	1.1
311.01447	0.6
319.15527	10.8
320.15723	1.3
335.12839	0.9
337.14493	0.8
381.20761	0.7
407.18698	13.9
408.18912	2.4
425.19699	100.0
426.19983	14.8
434.06137	0.7
446.77203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
62.29224	0.2
63.74443	0.2
65.00333	2.2
65.49834	0.2
68.99825	1.2
71.00137	0.6
75.26783	0.2
83.01392	0.6
87.04527	1.0
95.01388	0.3
97.06612	0.2
107.01396	1.4
108.02174	0.8
109.02930	0.3
116.79199	0.2
117.03470	0.3
117.33298	0.2
123.00836	0.4
131.04990	0.2
132.05829	0.2
133.02966	0.3
135.00908	1.1
135.04514	0.4
136.01669	5.9
137.09795	0.2
145.06615	0.9
148.01659	0.5
149.02454	0.3
149.99577	0.3
161.02431	0.6
163.00401	1.0
164.01170	4.9
165.09192	0.3
169.06612	0.3
171.04532	2.1
173.06036	0.4
175.00323	0.4
175.04005	0.8
176.01202	1.9
176.04742	1.3
177.01917	0.7
183.08125	0.4
184.05319	0.2
189.01924	0.4
189.05484	0.2
191.03667	0.3
203.03357	0.3
203.07138	0.4
204.04271	0.8
211.07602	0.7
213.05544	0.4
217.05154	0.2
225.09236	0.4
226.06424	0.6
227.10857	0.4
235.11174	0.2
235.13406	0.7
239.07172	0.4
240.07881	0.6
251.14668	0.3
253.04903	0.4
253.14333	1.0
254.05876	0.4
255.06419	0.3
267.06592	1.5
268.07376	0.9
277.14734	0.3
279.06708	1.3
280.07202	0.4
293.15424	0.4
307.09790	0.8
308.10477	0.6
321.13400	3.2
322.14063	0.3
337.14371	0.4
381.20844	0.5
383.18622	1.5
384.19315	0.3
407.18512	0.8
425.19699	100.0
426.20056	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	425.1975
Annotation	Rhinacanthin H
Peak:m/z	Relative Intensity
59.20335	0.5
68.99832	0.8
70.72692	1.5
76.57876	0.5
81.03461	0.9
84.62284	0.5
91.01895	1.7
96.86767	0.4
98.20645	0.5
100.58949	0.4
101.66017	0.5
108.02145	0.6
113.82027	0.5
122.03759	8.9
135.04514	1.1
136.05283	1.0
137.15570	0.5
146.03636	0.6
148.01642	0.6
150.03221	2.1
161.02457	12.5
162.03059	0.9
169.06604	1.3
169.10260	0.7
171.08163	4.9
176.01295	0.5
182.02113	0.6
189.05588	0.8
195.08153	2.2
197.05966	0.6
203.07132	0.5
213.09225	29.5
214.09619	2.4
216.83389	0.5
217.04950	0.5
219.06625	1.0
223.07637	1.3
225.09174	4.5
226.09689	0.9
227.10867	2.6
235.36415	0.5
237.09235	6.8
238.09381	0.4
239.07179	4.6
239.10712	0.8
241.08720	59.9
242.09050	4.7
251.10799	1.4
252.07959	3.8
253.08673	4.3
253.12247	0.6
255.10333	1.1
267.06635	19.6
267.09534	1.0
268.06982	2.1
279.10278	1.5
285.07690	10.5
286.08136	1.1
325.11047	0.6
345.18561	1.2
363.19717	3.5
374.51987	0.6
381.20679	0.7
407.18100	1.0
417.83582	0.5
425.19690	100.0
426.20007	13.7
438.11328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1975
Annotation	Rhinacanthin H
Peak:m/z	Relative Intensity
53.42615	2.2
57.02042	2.1
57.31522	1.9
59.01364	6.2
64.43166	2.8
69.81036	11.6
84.69321	2.4
98.20747	2.3
108.02161	3.5
122.03723	7.1
135.04500	2.2
136.01689	31.0
147.04497	3.7
160.56981	2.1
161.02478	9.3
163.07700	4.9
171.08144	2.9
173.06090	7.5
175.04042	2.3
190.84468	2.1
191.07153	74.4
192.07417	5.0
201.05557	2.5
213.09219	20.6
217.05032	6.4
225.09123	4.5
237.09167	3.0
241.08690	34.2
242.09171	3.6
253.08701	3.1
267.06729	13.2
285.07611	7.9
293.15414	3.9
293.21252	2.9
363.19666	6.8
379.71823	2.4
392.30746	2.3
407.18747	2.5
425.19394	100.0
425.27649	5.3
426.19937	15.5
426.27643	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	425.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
62.14992	0.6
69.90259	0.7
71.00229	1.1
71.74381	0.7
77.03969	0.7
88.07285	0.6
105.03466	1.0
111.37064	0.6
121.06586	5.1
125.73805	0.6
133.19034	0.6
134.25829	0.6
134.41782	0.6
135.04510	0.9
136.05318	11.8
136.62180	0.6
137.02487	0.6
151.04117	0.8
161.02454	0.6
171.08179	1.1
173.06067	0.7
183.08194	3.1
209.09726	2.7
225.09247	4.2
226.09802	0.7
227.10794	34.0
228.11145	2.6
237.09209	4.9
238.09868	2.3
240.07603	0.8
253.08771	1.1
263.10898	0.9
275.14487	2.1
293.15503	33.2
294.15656	3.2
296.20148	0.6
363.19705	3.8
381.20563	1.8
389.17603	2.6
406.81503	0.7
407.18576	11.6
408.19141	1.4
425.19708	100.0
426.20044	15.2
426.52899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
60.52342	0.6
67.01895	0.8
69.27073	7.2
77.03965	0.7
91.05513	0.6
104.62891	0.8
105.03448	0.9
121.06583	3.9
135.04530	1.6
136.05327	10.0
148.05313	0.8
171.08217	1.3
173.06104	1.6
183.08165	2.1
202.09985	1.5
209.09692	2.6
213.09164	0.9
225.09256	4.1
227.10799	34.5
228.11102	2.6
237.09181	4.7
238.09836	1.4
239.10750	3.8
263.10733	1.3
275.14389	1.7
283.09738	0.7
293.15518	31.3
294.15903	4.0
325.01578	0.8
337.95313	0.7
363.19742	3.2
381.20584	1.7
389.17703	2.4
407.18610	10.3
408.19321	1.6
425.19717	100.0
426.20093	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	425.1973
Annotation	Andibenin B
Peak:m/z	Relative Intensity
54.28028	1.5
65.00318	4.4
67.01894	2.2
71.00232	4.0
79.05524	3.6
81.03481	1.9
83.05018	5.0
103.05530	2.2
107.05064	13.5
108.02159	2.7
119.04990	1.9
121.03018	2.7
121.06630	2.2
123.08128	1.6
131.05051	6.3
132.02168	3.9
135.04529	14.4
137.02470	2.0
146.03738	8.4
148.05302	2.0
149.02426	2.1
149.06110	6.1
161.02466	19.6
173.06062	7.1
173.09721	1.8
180.44945	1.9
181.10211	2.5
191.07098	2.5
193.01486	2.8
195.11662	1.9
211.07613	3.4
212.08475	2.7
213.09224	9.0
217.03070	3.2
217.05067	39.1
217.97388	1.9
223.06032	3.8
224.08388	4.0
225.09232	43.6
226.09840	11.0
237.09221	75.0
238.09531	8.9
239.10783	11.9
240.11179	2.0
251.07101	2.0
256.07352	2.5
265.12363	3.1
267.14020	2.2
269.08240	23.5
270.08957	15.7
271.09427	2.8
279.13861	7.1
281.08203	93.4
282.08560	10.0
283.09711	7.3
293.15494	23.9
294.15842	2.7
302.07950	6.5
303.13788	3.3
305.11890	3.3
305.15305	2.7
309.11337	2.4
319.13315	6.7
323.12875	4.8
323.16531	8.1
323.33765	1.9
325.14392	2.4
337.14471	13.3
338.15179	12.3
345.18570	4.2
363.19730	14.0
367.08414	8.2
375.16345	2.3
381.20703	23.0
382.10489	3.2
382.20892	5.5
389.17648	16.1
390.18121	2.1
393.17178	4.0
407.18588	19.6
408.19241	5.4
425.12668	11.9
425.19656	100.0
426.14285	2.7
426.20053	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	425.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02352	0.6
59.08365	0.6
67.01885	2.8
69.48872	4.2
89.62041	0.6
107.05007	0.9
122.03725	4.1
131.05037	6.5
133.06564	0.8
134.03745	1.5
135.04497	2.6
136.05318	3.8
137.02400	1.1
148.05331	1.2
156.48920	0.6
161.02483	0.8
169.06581	0.9
169.10260	0.9
171.08162	2.4
172.05341	1.2
173.06064	6.9
173.09692	1.0
175.04021	1.9
199.07625	1.8
212.08412	2.2
213.09221	15.3
225.09192	7.3
226.09882	2.3
227.10788	17.8
228.11096	2.1
237.09207	1.7
239.10789	15.0
240.11060	1.5
241.08707	4.7
244.07358	0.8
253.08633	1.4
263.10745	6.0
264.11212	0.7
266.09445	0.8
269.08142	1.8
281.11880	5.3
285.07724	10.2
285.53925	0.6
286.07962	0.7
296.10437	1.1
303.13892	18.4
304.14246	1.8
305.15515	4.6
360.67215	0.7
360.88657	0.7
363.19464	1.3
381.20737	2.2
395.06308	0.7
407.18509	1.1
425.19699	100.0
426.20074	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	425.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
60.18972	0.7
67.39117	0.6
69.54100	2.1
69.54510	2.1
72.46240	0.6
85.50540	0.6
87.04523	1.9
93.03455	1.6
96.40290	0.7
119.05035	2.0
121.02978	3.0
122.03779	1.6
133.02982	1.0
133.32770	0.8
135.04543	1.9
145.09842	0.7
148.01709	1.0
149.02443	1.4
161.02484	4.3
162.03214	1.4
163.04089	1.5
166.02733	1.0
169.06581	1.2
174.03215	1.3
177.09390	0.7
179.08719	2.5
191.03572	0.9
191.07016	1.5
196.08984	1.1
197.09669	0.6
201.05589	1.4
203.10788	2.4
210.06874	0.7
211.07674	4.0
223.07668	30.0
224.08328	6.3
225.09175	3.0
235.07581	1.2
237.09135	1.3
240.08009	1.0
243.14087	1.0
246.06952	0.9
251.07202	2.2
256.07349	1.1
261.14963	3.0
263.07059	3.8
264.07880	2.5
275.14279	0.9
283.11285	1.2
286.09821	0.8
289.08792	1.6
293.15530	7.0
294.15775	0.9
300.13660	2.2
301.14844	3.8
305.15457	1.9
319.12946	2.8
319.15579	7.3
320.16412	0.7
331.13309	1.2
332.20032	0.7
363.19717	2.4
379.19104	1.6
381.20761	12.5
382.21167	1.9
389.17773	2.3
407.13132	1.2
407.18652	33.0
408.19116	4.6
425.19748	100.0
426.20105	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	425.1973
Annotation	Rhinacanthin H
Peak:m/z	Relative Intensity
66.75425	0.5
66.84680	0.4
67.68810	0.4
68.99828	1.0
69.37437	1.9
69.37860	1.3
72.05877	0.4
77.04006	0.5
81.03474	1.5
91.01884	2.3
105.03481	1.3
107.05018	0.4
108.02219	1.1
122.03744	14.2
122.09010	0.5
125.02505	0.9
132.02196	0.7
135.04544	0.6
136.01657	1.3
136.05296	2.9
137.02464	1.2
146.03748	1.5
148.01666	0.6
150.03227	3.5
161.02452	5.6
164.01131	0.6
165.02011	0.7
169.06577	1.4
169.10237	1.7
171.08165	6.7
172.08556	0.5
175.76689	0.5
182.02248	0.9
183.08153	1.4
193.01434	0.7
208.03786	1.1
209.09790	0.7
213.09235	41.2
214.09575	3.0
219.06616	1.3
223.06145	1.3
225.09259	2.6
227.10791	7.6
228.11351	0.8
237.09233	11.7
238.09541	1.2
238.70427	0.4
239.07188	5.7
241.08719	50.3
242.09050	4.8
251.07056	0.9
253.08678	1.3
263.11026	0.4
267.06619	1.2
268.07077	0.6
280.25003	0.4
281.08243	3.5
285.07703	100.0
286.08054	10.2
293.15494	2.6
363.19711	0.7
381.20749	1.4
389.17453	0.8
407.18628	10.0
408.19077	1.5
425.19708	29.1
426.20129	5.2
437.27893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46693	0.5
55.36245	0.7
57.03428	0.7
65.00342	1.7
69.57814	3.2
78.69923	0.5
87.04550	1.4
95.05026	1.6
109.79424	0.7
111.00941	0.5
121.02990	0.9
121.06634	0.9
123.04546	0.8
123.08169	0.7
133.02892	0.6
137.65598	0.6
143.30026	0.6
148.73723	0.6
149.02484	0.6
161.02492	3.3
163.00407	0.9
165.05580	1.1
169.06564	1.8
170.07117	0.6
177.01945	1.4
179.08678	3.7
189.05618	1.3
193.01318	0.8
196.08954	1.2
197.31783	0.6
203.03471	0.7
207.06621	0.8
208.03772	1.3
209.06041	0.9
210.06868	1.6
211.07674	5.3
217.05139	0.6
221.06134	0.7
223.07690	31.0
224.08362	6.5
225.09033	3.0
233.04431	3.9
235.07588	1.7
237.09244	1.3
239.10667	0.6
245.09570	0.8
246.07071	1.0
251.07120	2.7
252.07980	0.7
256.07452	2.1
261.05621	0.8
263.07120	5.5
264.07895	3.9
271.06158	0.7
273.12790	1.1
275.14331	0.8
286.10031	1.1
289.08801	2.1
290.09476	1.7
293.15475	12.7
294.15854	0.7
299.10757	0.8
301.12314	2.7
305.15674	1.5
319.13416	9.1
320.13736	1.3
323.16650	0.6
331.13391	0.7
349.07285	0.9
351.08658	0.8
363.19702	1.5
377.06555	1.7
379.19153	1.1
379.43015	0.6
381.20691	13.0
382.21161	2.5
389.17657	1.3
395.07767	4.8
396.07813	0.8
407.18658	34.5
408.18906	5.3
410.10327	2.8
425.12582	19.1
425.19678	100.0
426.12799	2.6
426.19995	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	425.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.2
67.01900	8.3
69.99002	1.9
69.99397	2.2
71.01378	1.5
72.87830	0.8
83.05060	1.0
95.04996	0.9
99.92590	1.7
107.05035	0.8
109.02953	1.7
115.00377	1.4
115.92197	1.1
117.03515	0.8
122.03674	0.8
132.02200	0.9
144.97940	0.9
148.05319	3.1
149.02426	1.0
158.84666	2.1
163.07613	1.5
169.06607	2.1
172.05217	1.0
173.06041	4.1
175.03996	3.6
177.01953	1.2
179.08672	2.3
190.06361	0.9
191.07080	3.4
192.04309	1.1
192.34813	0.8
195.11835	1.5
196.08984	1.0
207.03110	1.1
211.07689	16.5
212.07991	1.2
213.09241	1.6
223.04106	1.9
223.05698	1.5
223.07681	26.6
224.08344	6.6
225.09238	8.7
226.09628	1.2
237.09221	1.5
239.10786	41.2
240.11092	3.3
251.03462	1.5
252.04317	12.5
256.07639	1.0
265.08759	2.4
266.09494	2.1
267.06659	18.8
268.07059	1.5
281.08960	1.6
281.11859	23.3
281.14999	1.1
282.12003	1.9
283.09805	6.9
284.10291	1.1
289.12354	2.1
293.15341	1.3
303.13834	1.1
307.09839	1.1
307.13406	2.8
307.17068	7.1
308.17307	1.1
313.03888	1.0
325.11099	0.9
345.18597	9.6
346.19064	1.7
363.19809	5.2
367.08316	1.2
381.20758	23.5
382.21072	4.0
407.18686	22.1
408.19009	3.5
408.66641	0.9
410.09625	0.8
425.12933	5.5
425.19711	100.0
426.20059	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	425.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01720	1.3
66.99432	0.9
71.01391	23.6
71.35303	1.6
72.99306	1.1
73.02960	2.5
85.02959	2.6
87.00862	1.3
88.30496	0.8
89.02471	1.8
101.02454	3.4
113.02460	1.9
129.05547	0.9
147.06665	7.5
153.27318	0.7
161.04556	1.8
173.06068	2.2
173.08214	1.5
174.06561	0.9
177.02080	0.8
201.07748	4.4
245.10216	1.6
263.11334	3.4
305.12476	5.2
345.46277	0.8
387.16479	1.3
411.16211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1953
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
53.00257	9.7
53.25628	9.3
56.81988	12.2
57.03429	11.6
57.83270	9.9
59.01381	100.0
69.21331	41.8
69.21757	68.6
71.01364	14.5
72.99300	13.0
73.02956	11.2
95.05032	11.9
96.00853	11.2
101.02413	16.9
113.02512	11.8
185.88365	11.5
285.26526	14.7
400.47754	12.6
425.19104	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37274	0.5
54.16146	0.5
59.01388	2.5
65.03978	0.5
66.41579	0.5
67.01901	4.1
68.80224	0.5
69.39404	4.0
73.28944	0.5
87.04549	0.6
93.03458	1.1
107.05049	0.9
108.34633	0.5
109.02953	0.9
109.99878	0.5
117.07074	0.6
121.02956	1.0
121.06610	0.9
122.03772	1.7
130.04263	6.2
131.05051	3.8
133.06587	0.6
134.03732	1.1
135.04538	1.6
136.05304	1.6
143.05032	5.0
145.02982	1.7
145.06592	12.9
148.05293	2.1
149.02429	1.3
161.02458	2.0
161.06114	1.6
162.03235	0.6
165.51512	0.5
171.04536	0.7
171.08162	1.6
172.05360	0.9
173.06128	2.7
174.03218	1.4
175.04015	1.8
177.01964	1.3
181.10249	1.3
182.96417	0.5
187.04016	2.8
188.04752	2.0
189.05580	59.3
190.05913	3.3
191.07196	0.6
195.11713	0.6
199.07666	0.6
203.03557	0.7
204.04231	0.6
205.04988	0.6
207.06642	15.3
207.08566	1.1
208.07019	0.8
212.08386	0.7
213.09210	5.5
215.07152	4.9
225.09224	7.7
226.09877	1.4
227.10800	9.3
228.11119	0.7
237.09181	1.2
239.10793	16.1
240.11169	1.0
253.08675	0.9
263.10828	3.4
264.11261	0.7
265.08807	3.7
266.09195	0.7
267.07126	0.5
269.08218	3.2
279.10242	0.9
281.11844	6.4
282.11966	0.8
283.09756	5.5
290.12903	0.8
293.15485	3.0
303.13916	9.3
304.14224	1.4
305.15549	3.7
307.09695	2.9
323.09299	0.7
329.00656	0.5
333.07697	0.7
337.10873	1.5
351.08743	15.5
352.09128	1.5
363.19556	1.7
365.10257	1.5
366.11084	7.0
381.13425	100.0
381.20740	29.5
382.13776	13.7
382.20996	4.0
389.17606	1.6
407.18762	3.3
425.06671	1.0
425.12436	23.4
425.19699	26.0
426.12741	2.1
426.20050	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	425.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89022	0.6
59.01369	0.8
65.45532	0.6
67.01894	1.0
77.03976	0.7
79.05548	5.3
83.05025	0.7
93.03448	1.5
95.01402	1.1
98.19873	1.8
105.03438	1.7
107.05040	25.9
108.05382	1.1
109.02965	0.9
113.93668	0.6
121.02967	4.0
121.06615	1.2
122.03725	0.7
123.00883	4.5
129.07109	0.8
131.08679	1.6
133.06606	1.0
135.04506	1.8
136.05283	2.0
137.02464	3.6
137.09821	0.6
138.03278	3.3
141.40259	0.6
149.02473	3.8
151.00362	3.0
151.04024	0.6
153.05489	0.7
157.05386	1.2
157.06592	14.3
159.04538	4.4
160.05295	2.9
163.04164	0.6
164.04813	1.1
165.01927	16.9
166.02200	0.7
173.06097	2.0
175.07657	45.6
176.01160	0.8
176.07945	3.6
177.99068	1.0
180.04306	14.8
181.04536	0.8
183.08159	0.8
189.01985	0.6
190.02754	0.8
193.01434	39.5
194.01756	1.5
195.06654	10.0
195.13860	0.9
201.05592	27.2
201.09242	2.0
202.05949	1.5
208.03781	62.4
209.04065	3.7
211.07672	0.8
211.13393	1.6
212.08101	1.3
213.09135	1.8
213.15027	0.7
217.08678	1.4
219.06630	100.0
220.07005	7.7
223.06123	96.9
224.06467	6.1
225.09273	4.4
226.09798	1.5
227.07126	1.7
227.10805	4.4
229.73013	0.8
237.09178	1.9
239.07063	1.0
239.10806	0.8
251.07109	0.8
253.08603	0.8
254.92067	0.5
261.09387	1.5
263.10858	1.2
263.14401	1.0
275.14417	0.9
279.10275	0.7
280.07327	1.1
281.08176	1.0
281.15552	2.7
284.06476	0.8
285.06693	1.3
292.07611	0.9
293.15549	5.0
294.15741	0.9
294.69547	0.7
303.13925	1.2
305.08292	1.1
307.09888	3.5
307.12906	0.6
308.07043	1.0
309.07715	1.2
318.45471	0.6
322.12161	1.7
323.09259	1.7
324.09839	0.7
333.07681	3.5
334.08047	0.8
348.09991	2.2
351.08847	4.0
363.12537	2.2
366.11069	2.3
381.13443	3.5
395.11514	0.6
407.18652	7.9
408.18930	1.0
425.19754	39.7
425.28485	6.7
426.20142	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	425.1248
Annotation	(-)-13alpha-Hydroxytephrosin
Peak:m/z	Relative Intensity
54.36230	0.5
54.57367	0.6
59.01379	2.7
62.27139	0.5
65.78012	0.5
67.01897	3.9
69.20541	3.5
69.20965	2.0
81.03448	0.6
102.04769	0.6
102.28063	0.5
107.05045	1.0
109.29915	0.6
117.07099	0.6
121.02963	1.1
121.06551	0.7
122.03739	1.2
130.04257	7.2
131.05035	3.1
132.98856	0.5
133.02956	0.6
134.03764	0.8
135.04514	0.8
136.01665	0.9
136.05278	1.8
143.05029	4.7
145.02960	1.9
145.06599	13.2
147.04520	0.7
148.05309	1.6
149.02419	1.1
161.02414	2.3
161.06088	1.4
163.03990	1.1
171.04414	0.7
171.08089	1.0
173.06090	2.9
174.03188	1.2
175.03949	2.4
176.04680	0.6
177.01944	1.2
181.10335	0.8
187.04025	2.3
188.04726	1.2
189.05582	61.7
190.05962	4.1
191.07108	0.8
199.07526	0.7
203.03548	1.1
207.06645	15.1
208.07065	0.9
212.08478	0.9
213.09248	4.5
215.07097	6.1
225.09222	6.4
226.09898	1.5
227.10797	9.0
237.09283	1.8
239.10760	14.0
240.11105	1.3
253.08685	0.8
263.10803	3.0
265.08643	3.5
266.09415	0.9
269.08133	2.6
281.11829	6.0
283.09818	4.5
283.12634	0.7
293.15463	2.7
303.13931	8.6
304.14136	0.8
305.15491	2.5
306.15823	0.7
307.09909	2.7
323.09225	1.3
333.07471	0.7
337.10938	1.1
351.08765	15.6
351.37894	0.6
352.09100	1.6
363.19583	1.6
365.10214	1.9
366.11102	7.4
381.13455	100.0
381.20630	23.7
382.13837	14.7
382.21091	3.3
407.18744	2.5
425.12466	24.3
425.19702	24.3
426.12848	3.0
426.19971	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	425.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
65.00301	0.5
65.06761	0.6
67.01870	0.5
69.18689	0.7
69.19097	4.8
75.29042	0.5
83.01385	0.6
94.45919	0.5
98.20667	1.1
99.47869	0.5
101.02473	0.7
101.03918	0.5
105.03499	0.8
107.04909	0.5
108.02184	0.6
109.02967	1.2
113.09418	0.5
116.07201	1.0
121.02988	1.1
123.00895	1.3
123.04572	1.3
130.04259	4.0
133.02957	2.2
136.01604	0.9
137.02441	1.4
138.03227	0.8
143.05005	0.5
145.06538	2.5
146.03723	0.7
147.04500	2.1
148.01675	1.2
149.02461	2.7
151.00357	1.3
157.14507	0.6
158.03734	5.9
161.02434	1.9
161.06157	1.0
163.03981	0.8
165.01950	2.3
171.04504	0.6
172.05353	2.9
172.39653	0.5
173.06084	6.4
173.09695	0.8
174.03334	0.8
174.06450	0.8
175.03978	4.3
176.01122	1.1
177.01939	7.2
188.04739	0.9
189.05614	3.2
191.03529	2.4
192.04305	2.8
193.01378	0.8
201.05620	0.9
203.03548	1.0
205.05037	0.8
215.03549	1.2
217.05061	32.9
218.05528	2.4
219.06609	0.6
225.09157	1.5
228.09666	0.6
235.06110	4.1
237.09210	1.0
243.06609	0.6
255.77155	0.5
256.03549	0.7
259.06238	0.7
281.08331	1.8
283.06027	0.7
321.07678	0.6
341.06757	0.8
345.18542	5.1
350.07840	0.7
355.08542	0.6
363.19592	1.4
367.08112	3.0
377.06754	0.9
379.19333	0.7
381.09732	2.7
381.20728	1.1
382.10522	0.8
393.09921	1.3
395.07739	11.3
396.08075	1.6
407.18631	2.3
409.09207	2.8
410.09949	4.9
425.12460	100.0
425.19357	8.7
426.12796	14.1
426.19025	0.8
426.28622	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	425.1246
Annotation	Villosinol
Peak:m/z	Relative Intensity
50.37130	0.7
59.01383	6.6
61.86604	0.8
61.98824	1.4
68.99826	1.0
69.03476	0.8
71.01383	1.8
71.55142	1.2
79.05523	1.0
80.02589	0.9
85.02921	1.0
89.03986	1.1
93.03461	1.2
95.05038	8.9
101.02427	0.9
105.03465	2.4
106.66430	0.8
108.02182	3.7
109.02962	1.8
111.00880	1.2
113.02444	1.0
119.08650	3.7
121.02968	8.3
122.03750	8.2
123.00907	3.5
130.04279	3.7
133.02975	8.4
138.03226	2.2
144.05821	2.0
145.06580	2.9
147.00868	1.8
147.08131	1.4
148.01697	7.1
149.02457	8.7
158.03763	6.4
159.04524	0.9
161.02466	10.2
161.06036	1.5
162.03166	2.6
163.00374	1.5
163.07660	52.5
164.07976	3.1
165.01935	0.8
171.04607	1.0
172.05322	7.3
173.06082	100.0
174.06392	5.4
175.03975	1.2
176.01135	3.7
176.04811	0.8
177.01910	10.1
177.05525	1.1
183.02997	1.2
187.04025	2.1
189.05574	2.6
190.02664	1.6
191.07149	94.1
192.04333	7.7
192.07498	6.0
203.10667	0.8
204.00687	6.1
207.06657	7.0
215.07164	1.7
217.05014	1.9
219.02939	1.4
240.04253	1.4
244.97639	1.5
259.05969	1.5
268.03854	1.3
281.04587	1.0
293.04581	1.7
294.05344	0.9
305.08136	3.4
307.09888	1.0
318.89258	0.8
321.07571	1.5
323.09222	5.8
333.07837	4.9
336.06644	0.9
337.07034	1.1
338.11639	1.4
348.10056	1.3
351.08746	18.6
352.09207	2.6
363.12369	1.0
365.06219	1.1
365.10428	1.3
365.78470	1.0
366.11035	7.3
367.08188	2.6
377.06644	2.2
379.11749	1.5
381.13412	5.8
392.08994	1.4
395.07480	1.6
407.11496	3.0
410.10165	2.9
425.12442	51.0
426.12778	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	425.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87074	0.8
65.00330	7.3
68.99819	1.3
69.54450	3.4
69.54856	1.7
79.05541	1.9
80.71119	0.8
95.05019	3.2
100.85146	0.8
103.05537	1.0
108.02165	1.1
110.00029	0.9
111.00909	1.4
114.39565	0.8
119.05015	2.3
121.06599	1.4
123.04560	1.7
124.01644	1.2
133.02965	4.0
139.00352	1.6
147.04543	3.1
149.02428	3.2
150.87178	0.9
159.04500	1.2
161.02457	17.7
161.06078	2.4
163.00392	2.5
163.03990	1.7
165.05574	3.8
175.00328	1.7
175.03999	1.7
176.04736	1.2
177.01967	4.8
177.05569	2.8
187.00386	2.3
188.04588	0.8
189.05563	6.2
191.03502	1.2
203.03554	2.6
205.05019	3.2
207.06688	4.8
217.05132	3.2
218.05608	1.0
223.07698	3.6
227.03462	2.8
229.01466	1.0
233.04567	17.8
234.05170	2.9
241.05368	0.9
243.03041	1.1
244.03691	1.6
268.03702	1.1
271.05988	0.9
294.05380	1.2
305.08231	1.0
321.07739	1.2
323.09433	1.3
333.07516	1.5
338.03851	1.0
349.07281	3.2
351.08835	4.5
352.09326	1.3
353.06747	3.2
366.10934	1.6
367.08228	2.1
377.06601	6.3
378.07080	1.4
381.20712	1.4
393.09879	0.9
395.07715	22.6
396.08212	3.2
407.18658	3.9
410.10144	15.0
411.10483	1.3
425.12473	100.0
425.19492	11.1
426.12823	13.2
426.19165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87251	0.9
59.01380	3.5
61.98850	1.2
67.01900	5.7
69.48230	4.2
69.48643	2.0
79.05551	4.9
81.03450	1.4
83.05038	2.2
86.68465	1.0
93.03469	1.7
95.01396	1.4
105.03485	1.1
105.21788	0.9
107.05046	21.2
108.02213	2.0
109.02961	1.7
116.92900	1.6
119.05044	4.5
120.05353	1.8
121.02975	4.2
122.03755	2.4
123.00895	3.8
131.05040	2.5
131.08704	1.2
133.06590	1.6
134.03749	1.9
135.00981	1.1
135.04565	2.2
136.01636	3.6
137.02481	4.8
138.03236	2.3
146.03758	1.3
148.01656	2.2
148.05290	3.8
149.02399	3.7
151.00366	2.7
151.03979	2.5
153.05678	1.0
157.06595	13.0
158.06952	1.5
159.04514	4.2
160.05351	1.5
161.02426	7.0
161.06116	1.1
165.01949	13.8
173.06042	2.3
175.07648	33.9
176.01143	1.5
176.08002	2.9
180.00681	1.6
180.04315	10.6
181.04657	1.3
188.08463	1.9
190.06291	1.4
193.01436	33.4
194.01776	1.5
195.06645	5.9
201.05579	23.0
202.06024	2.4
203.10785	2.3
208.03783	49.4
209.04083	1.9
212.08322	1.0
213.09232	7.1
217.05032	5.8
219.06636	77.8
220.06984	5.9
223.06129	79.4
224.06384	5.5
225.09160	4.2
227.10783	2.8
237.09222	17.4
238.09703	1.3
239.10793	28.2
240.11128	2.0
241.08740	1.6
253.12170	1.2
254.13072	1.2
257.08160	1.7
265.08630	2.0
270.05261	4.1
281.08105	1.8
283.09537	1.3
291.06738	1.3
293.15445	9.5
294.15720	1.2
303.13873	4.8
305.11850	3.5
305.15500	4.4
307.09787	3.0
308.06976	1.0
309.07465	1.5
323.09183	1.3
323.16470	3.0
333.07690	4.2
345.18558	2.8
348.10254	2.8
351.08694	2.7
363.12326	1.4
363.19556	1.8
381.13409	3.0
381.20685	2.3
389.17548	1.5
407.18613	5.7
425.19641	100.0
426.20071	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	425.1245
Annotation	(-)-13alpha-Hydroxytephrosin
Peak:m/z	Relative Intensity
67.01914	0.9
70.11444	3.0
79.05534	5.5
86.15012	0.8
93.03468	1.6
95.01395	2.0
98.20525	1.1
105.03477	1.8
107.05044	26.6
109.02943	1.2
121.02940	3.1
121.06615	1.9
123.00919	4.8
131.05052	1.4
131.08661	2.3
133.06595	1.7
135.04558	1.8
136.05333	2.4
137.02467	4.5
138.03259	3.1
143.05054	1.1
145.30093	0.8
149.02460	3.5
151.00391	3.0
157.06595	12.5
159.04486	5.2
160.05241	1.9
165.01929	16.3
171.08150	0.9
173.06133	1.9
175.00452	1.1
175.07654	48.1
176.08018	3.2
180.04292	13.4
193.01437	37.7
193.03239	1.2
194.01736	1.8
195.06636	8.7
201.05602	27.9
202.05972	2.9
208.03780	57.1
209.04115	1.9
211.03979	0.8
211.07672	1.2
211.22487	0.9
213.09239	1.9
219.06635	100.0
220.06949	5.5
220.99222	0.8
223.06122	93.1
224.06465	4.5
225.09212	5.2
226.48082	0.8
227.07216	1.2
227.10822	6.1
228.11072	0.9
237.09218	1.3
239.10771	2.0
241.08058	1.1
253.08537	1.0
263.10864	1.7
263.14368	1.5
279.13968	1.3
281.15659	1.7
281.86734	0.8
284.06491	2.0
289.08487	0.8
293.15366	4.7
303.13943	1.8
305.08124	1.4
307.09799	3.1
309.07175	1.0
322.12357	1.6
333.07770	2.9
348.10080	2.8
351.08780	4.0
363.12384	2.2
363.19559	1.5
366.11139	2.8
381.13565	3.0
382.13925	1.0
407.18588	13.3
408.19312	1.4
425.19760	46.4
426.20178	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	425.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89401	1.1
59.01369	2.0
65.78258	1.1
67.01887	1.6
70.11308	5.6
73.15217	1.0
79.05528	1.7
81.03458	1.2
86.00384	0.9
93.03469	1.7
99.92595	33.5
100.92612	2.1
100.93375	1.9
107.05041	9.3
108.02185	1.8
109.02972	1.2
113.51106	1.1
115.92093	16.8
116.92877	100.0
117.92894	6.2
119.05058	1.7
121.02988	17.3
121.05800	1.4
121.06582	9.0
122.03762	2.0
123.04501	2.3
129.07108	1.3
135.04550	7.6
137.06070	1.4
147.08208	5.9
149.02492	2.0
149.06113	18.6
157.06590	3.4
161.02414	2.7
170.07356	4.6
173.06015	1.4
175.07639	1.5
185.06044	1.8
187.07675	1.4
188.08434	3.7
191.07155	22.9
192.07452	1.4
201.05621	1.5
203.07155	2.5
213.09106	1.7
217.05038	3.1
223.07629	1.7
225.09103	3.3
231.06639	2.0
237.09180	1.8
239.10782	3.7
241.08673	1.6
245.15450	6.7
255.10292	7.7
257.15417	6.1
259.11188	1.8
267.58948	1.0
272.95050	2.3
277.12311	2.1
279.13876	10.2
285.14935	2.5
285.99338	3.1
286.99533	1.3
290.87448	1.2
303.16101	12.9
305.11911	11.2
306.12131	1.5
307.13342	1.9
320.01428	2.1
323.12885	13.0
324.13211	1.9
325.14374	3.3
335.00244	1.5
337.01810	1.2
352.00552	1.6
359.03955	1.8
360.04025	1.5
363.06833	1.8
363.19626	4.8
364.00436	22.8
365.00607	2.9
377.04892	14.8
378.05142	2.8
379.19061	3.6
381.08191	8.2
381.20660	1.7
389.04919	1.8
389.17575	2.1
395.05930	2.8
407.05945	62.8
407.18488	5.7
408.06140	12.9
425.07413	11.9
425.13113	2.8
425.19672	54.9
426.07440	2.2
426.20010	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	423.2521
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
51.23277	0.3
61.98820	0.3
66.14389	0.4
70.66497	1.0
78.95908	13.9
97.59677	0.3
100.05137	0.4
100.50651	0.3
102.24281	0.4
104.97498	0.7
106.70681	0.3
110.98547	9.9
114.50755	0.4
117.20450	0.3
144.11069	0.3
152.99579	0.5
167.01151	11.8
185.02219	2.6
233.99136	0.4
255.23308	100.0
256.23633	10.5
275.55859	0.3
423.25180	18.9
423.34393	0.7
424.25711	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15100	0.7
61.98832	5.1
62.43936	0.6
62.79458	0.7
63.89079	0.6
71.55415	1.0
76.98715	0.6
79.20583	0.8
82.42596	0.7
83.05019	1.1
102.51993	0.7
107.04999	0.8
109.55746	0.6
114.85614	0.6
122.08015	0.6
134.03761	1.0
135.04520	3.1
136.04887	1.4
149.02440	0.8
149.06108	3.1
150.55965	0.6
181.29807	0.7
224.47629	0.8
225.09219	46.5
226.09650	7.7
227.10332	2.0
237.09183	11.1
238.09679	1.5
241.12247	1.9
242.12640	2.7
272.10480	0.9
279.13922	0.9
280.49600	0.7
295.17059	48.2
296.17310	6.4
339.16028	100.0
340.16379	13.8
342.16632	0.8
423.21329	1.1
424.13812	3.4
424.22055	9.7
425.14114	0.7
425.21472	0.6
425.26923	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	424.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13519	0.6
59.01389	0.9
61.98838	5.2
71.02185	1.1
72.99743	0.6
79.90009	0.5
83.68572	0.5
89.23785	0.5
95.52382	0.5
107.05038	4.0
108.05388	1.3
119.62222	0.5
121.02982	0.7
135.04546	9.3
135.58800	0.6
136.04890	3.6
138.95174	0.6
149.02521	1.4
149.06076	2.6
161.02467	0.7
174.08076	0.6
177.55472	0.6
184.58394	0.6
189.09311	0.8
217.05164	0.7
225.09238	46.8
226.09830	11.2
227.10338	7.2
237.09218	12.8
238.09590	1.3
239.10736	1.2
241.12381	5.9
242.12714	7.9
259.09607	0.5
269.08301	0.8
270.08466	0.8
272.10629	0.9
281.08176	0.9
295.17053	49.0
296.17392	7.4
339.16031	100.0
340.12585	0.7
340.16418	11.0
342.16763	1.4
423.22009	1.8
424.13937	4.2
424.22144	26.9
425.13715	0.7
425.22360	2.1
425.27176	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	423.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.5
56.58090	0.6
57.03468	4.1
58.00600	2.1
59.01385	44.3
61.98826	1.2
66.67886	0.7
69.03457	1.3
69.55908	3.7
71.01389	62.7
72.01712	1.0
72.99308	1.9
73.02955	33.1
75.00866	1.7
83.01400	15.5
84.04998	0.7
85.02961	35.8
85.33143	0.7
86.00098	2.7
86.03207	0.7
87.00863	4.6
89.02451	11.4
90.84797	0.9
95.01389	4.0
97.02962	3.9
99.00893	14.6
101.02454	68.7
102.02794	1.5
111.00883	2.9
113.02466	24.5
115.00385	0.9
115.04016	2.2
125.02482	4.3
125.54020	0.7
128.00113	0.7
129.01936	3.2
129.12892	0.8
131.03506	3.9
133.02989	1.3
134.03749	2.1
137.02425	1.0
143.03500	2.4
149.04601	1.6
150.26949	0.7
159.03017	4.7
161.04568	26.0
177.01927	2.4
178.02695	1.9
199.13446	1.4
210.24341	0.8
211.42062	0.7
219.10193	0.9
233.06619	3.2
238.55478	0.8
275.09280	2.3
289.85510	0.7
291.18158	100.0
292.18515	7.9
293.08890	0.8
307.11618	0.8
319.84149	0.8
335.16940	1.2
423.22366	79.3
424.22708	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84712	1.2
59.01390	18.3
62.66326	1.1
65.00340	1.5
67.01902	6.1
68.77911	1.4
69.03472	1.7
71.54501	2.1
81.29523	1.4
83.05045	7.4
84.02159	7.1
91.01933	1.5
93.03502	1.6
93.82766	1.4
95.05030	7.1
97.02972	8.4
97.06610	15.8
99.04537	2.8
119.05042	20.3
119.21575	1.6
121.02983	2.6
125.09748	2.3
135.04510	4.0
135.08195	1.8
137.09785	1.7
148.05298	2.2
149.02470	2.8
161.02437	2.0
171.10318	17.8
179.08684	1.7
181.10223	2.2
189.05499	2.7
193.08514	19.0
193.12367	17.2
194.12709	2.1
211.08260	1.6
211.13495	4.2
213.09250	4.6
215.10518	10.8
223.07692	14.7
224.08182	2.1
225.09259	10.5
225.14995	23.4
227.10783	4.7
232.10805	5.6
233.11642	8.8
237.09277	2.0
239.10803	14.6
240.11211	2.2
243.16101	8.0
247.13329	1.9
251.11214	1.8
259.09525	2.4
264.09821	29.7
264.12631	1.5
265.14310	4.0
267.06711	3.3
269.08200	2.5
279.11804	7.1
283.09915	2.9
286.05060	1.6
291.13812	3.8
305.08209	1.7
309.13287	4.9
319.11948	2.7
331.17621	2.8
341.23352	100.0
342.23685	11.7
345.20496	3.6
349.07190	3.8
361.17850	2.5
363.20657	19.4
364.20792	4.3
379.12070	8.3
379.19156	16.4
380.12448	1.8
380.19324	2.4
405.17020	10.0
406.17084	1.4
407.20505	2.6
423.18195	77.2
423.23425	5.3
424.18753	13.3
424.24222	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27722	0.4
55.01881	6.5
55.94004	0.4
57.03452	4.0
57.82680	0.4
58.00601	1.7
59.01384	35.0
61.98837	0.8
62.85518	0.4
67.01878	0.5
69.03468	1.4
71.01389	56.3
72.01729	1.0
72.99315	3.4
73.02954	30.1
74.03284	0.4
74.11523	0.5
75.00877	2.1
81.03446	0.7
83.00994	0.3
83.01392	14.6
85.02958	31.4
86.00111	1.9
86.03294	0.6
87.00884	3.5
89.02454	11.7
95.01391	4.8
95.32839	0.4
97.02951	3.0
99.00892	10.2
99.04526	0.5
101.02454	59.9
102.02800	1.0
106.67300	0.4
111.00894	2.1
113.02459	22.1
114.02849	0.6
115.04039	1.4
119.03590	0.6
119.05027	3.1
125.02460	3.4
127.11263	0.8
129.01956	1.6
129.12878	0.8
131.03485	2.7
137.02438	0.6
141.01976	0.6
143.03510	2.6
149.04610	1.8
159.02992	4.5
161.04568	21.0
162.04938	0.6
163.77562	0.4
172.77028	0.4
199.13406	0.9
205.03568	0.9
218.13199	0.5
219.06517	0.6
233.06674	3.2
272.76968	0.4
283.02548	0.6
291.18155	100.0
292.18484	7.9
293.08755	0.9
303.12277	1.0
326.04352	1.9
327.04706	0.6
328.04971	1.0
335.17325	0.5
341.06754	1.7
343.07449	1.3
423.22394	62.3
424.22806	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	423.2181
Annotation	Scoparic Acid C
Peak:m/z	Relative Intensity
57.03445	6.5
58.43633	1.3
59.01402	1.4
65.00332	2.0
69.03438	2.5
69.97049	2.4
69.97420	2.5
71.05025	7.6
79.01907	3.6
80.47711	1.5
87.96079	1.3
94.27976	1.4
98.77574	1.5
107.05048	3.3
108.02202	3.2
109.02982	3.5
112.64738	1.5
117.86145	1.6
119.05033	6.9
120.05411	2.4
121.02949	5.7
122.03727	4.8
123.00858	2.5
133.02974	11.1
134.03760	12.3
135.04565	7.8
136.01697	2.8
137.02464	2.0
137.06099	4.5
139.11308	3.5
145.06561	1.8
147.04553	5.5
149.06091	7.4
150.03270	2.0
159.04533	1.8
161.02486	3.5
165.01964	3.3
167.08873	1.3
169.06570	1.5
171.04459	2.9
173.06076	3.5
175.07602	1.8
177.01979	3.1
183.08092	1.9
187.07651	2.9
199.07652	2.9
201.05595	1.9
203.07130	1.7
209.11838	2.0
212.08392	2.3
219.06654	2.2
225.09247	17.5
226.09782	4.3
227.07153	4.4
227.10670	2.9
237.09216	35.7
238.09924	14.2
239.10703	7.0
241.12352	4.2
253.12415	19.3
257.15506	5.7
269.08258	13.0
269.15707	1.8
270.08734	1.8
275.16592	10.5
277.12296	8.7
279.06573	5.9
281.08276	2.4
281.15543	1.9
283.06116	1.9
291.13943	2.2
292.61380	1.5
295.13226	2.4
301.18100	2.3
317.14246	1.5
335.12589	1.7
337.87329	1.7
347.20352	2.2
361.21713	19.6
362.21826	2.4
363.19946	1.7
377.21271	11.9
379.22827	100.0
380.23160	13.7
393.20773	5.1
405.16901	9.1
411.21722	1.7
423.17963	78.3
423.22079	54.3
424.17355	11.0
424.22409	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	423.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58194	1.8
75.27274	0.5
93.03463	0.5
98.52058	0.4
118.88894	0.4
119.05063	0.7
121.02995	1.2
134.03761	3.2
137.02493	0.9
149.02464	1.9
149.06100	4.4
211.11395	0.5
212.08412	1.3
225.09224	93.4
226.09572	7.3
227.10736	1.9
237.09219	6.2
238.09627	0.5
239.10727	2.3
240.11417	0.8
265.12357	3.1
269.08252	1.1
272.10522	1.3
289.16135	0.7
291.13846	0.6
303.13785	0.6
306.16220	0.7
321.18610	16.2
322.18863	1.9
361.21780	4.5
362.21790	0.5
379.22791	6.9
380.23239	0.8
423.21823	100.0
424.22180	17.4
424.26486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45817	0.4
55.54362	0.4
59.01364	0.4
65.00329	1.0
67.01881	0.8
69.57685	2.8
72.90318	0.4
75.46248	0.3
79.01911	0.8
83.05010	0.7
85.06596	0.6
86.02474	0.5
92.08820	0.4
93.03458	0.5
97.02938	0.5
107.05020	2.9
108.02136	0.5
109.02950	0.9
119.05006	0.8
121.02973	1.9
121.06592	0.6
134.03766	2.6
135.04546	9.1
136.01672	0.8
139.04005	1.1
145.06609	0.8
148.05342	0.6
149.02486	1.9
149.06076	4.6
161.02423	2.1
163.00327	0.5
164.01212	0.4
165.01926	1.4
171.04515	1.0
172.05225	0.5
173.06084	0.5
175.00383	0.5
177.05614	1.6
183.08202	0.8
187.07655	0.6
188.08430	0.7
189.02005	0.5
190.65996	0.4
191.03566	0.5
195.11713	0.6
197.09744	0.7
199.07701	0.7
201.05444	0.4
203.10841	0.4
205.05096	1.2
209.12009	0.5
211.50830	0.4
212.08330	0.5
213.09221	0.9
225.09225	84.3
226.09799	13.4
227.07156	2.0
227.10579	1.5
237.09227	7.4
238.09544	0.5
239.07109	0.6
239.10791	12.0
240.11273	1.4
241.09123	0.4
241.09886	0.5
241.12341	4.9
253.12303	0.5
265.12335	0.9
267.06488	0.5
269.08197	4.9
270.08691	0.6
272.10645	2.1
279.06567	1.4
279.13950	4.2
280.13968	0.6
281.08221	0.8
281.15430	1.3
282.09271	0.5
287.12933	0.7
293.15335	1.2
309.18600	27.8
310.18860	3.1
313.14380	0.5
335.12787	0.6
337.21808	1.1
361.21732	1.7
379.17853	0.8
379.22803	15.4
380.23212	1.9
405.17136	2.8
406.17340	0.6
423.22308	100.0
424.22620	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	423.2183
Annotation	Walsurin
Peak:m/z	Relative Intensity
54.98827	0.9
59.01376	1.3
71.05015	2.5
71.55167	1.0
116.92924	0.9
121.02963	2.7
122.03755	3.6
123.04521	1.8
134.03732	1.7
135.04546	2.4
136.96147	0.7
149.02466	8.5
149.06035	1.0
150.03189	4.6
151.04041	7.2
152.04793	0.8
161.02475	1.5
161.06129	0.9
162.03203	1.9
164.04810	3.3
175.04002	1.7
175.07619	0.9
176.08469	3.9
177.01895	1.0
185.06123	1.2
186.06908	0.9
189.05600	3.2
190.06395	2.9
191.07095	1.6
199.07712	1.0
203.07207	2.8
204.07942	19.5
205.08441	2.1
213.09209	4.0
214.09816	1.2
225.09204	9.8
226.09796	1.2
235.10948	0.9
235.13460	0.9
237.09242	1.2
240.07912	10.2
241.08711	11.9
241.12392	1.3
242.09489	5.6
252.07791	1.0
253.08704	9.5
254.08998	1.2
255.23140	1.0
259.13385	1.2
267.13940	5.3
273.15024	12.2
277.12357	1.0
295.13422	65.5
296.13791	7.4
299.12808	2.6
303.12662	1.1
317.14154	5.4
318.14490	1.7
321.11600	1.0
323.19977	1.0
339.16003	3.2
364.20477	38.1
365.20932	4.6
379.18536	1.3
379.22855	14.2
380.23187	1.7
408.19479	12.4
409.19650	1.9
423.21814	100.0
424.22256	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	423.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46626	0.6
62.97042	0.7
64.20685	0.7
70.71696	1.9
79.88982	0.7
86.95708	0.7
89.83778	0.8
99.67098	0.6
107.05040	17.4
120.03153	0.7
122.03761	1.3
135.04536	45.2
136.04852	1.9
147.04434	0.8
149.02478	1.0
149.06024	0.9
181.10225	0.8
225.09225	17.9
226.09999	56.0
227.10399	4.8
237.09200	1.9
239.10837	1.2
241.12364	51.0
242.12677	4.1
245.15562	1.2
269.08212	3.0
277.12415	1.5
283.09546	0.9
284.14026	0.7
295.16922	6.0
324.68188	0.7
339.12198	0.5
339.16016	14.7
361.21793	2.4
379.22781	2.0
423.21820	100.0
424.22156	14.8
426.10184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.218
Annotation	Scoparic Acid C
Peak:m/z	Relative Intensity
53.61642	1.2
57.03445	6.2
58.81969	1.3
66.69716	1.4
67.01871	1.2
69.03442	1.4
71.01910	3.1
71.05021	7.3
75.47543	1.4
79.01900	1.6
83.01419	1.3
107.05017	4.4
108.02177	3.1
109.02963	19.2
119.04998	7.2
121.02941	5.0
121.91095	1.5
122.03765	13.4
122.98793	1.5
123.00893	1.8
124.01630	1.2
124.71336	1.2
133.02972	19.4
134.03775	10.8
135.00883	1.5
135.04561	9.4
136.01660	3.4
137.02444	2.8
137.06105	6.9
139.11282	3.7
145.02953	3.4
146.03740	2.7
147.04553	6.4
149.02480	2.6
149.06078	5.7
150.03229	1.8
151.04027	1.5
157.06560	1.9
159.04573	1.4
161.02440	3.6
161.06076	2.4
163.00438	1.7
163.03923	1.6
165.01915	4.2
171.08167	1.5
173.06039	3.3
175.07643	2.5
175.11351	1.4
177.02003	7.2
178.39124	1.3
179.03500	1.5
187.07596	3.0
189.01898	4.0
193.01407	2.4
201.02022	1.5
201.05603	2.2
202.09927	1.3
213.09138	2.1
223.07623	5.8
225.09219	18.5
226.10013	12.5
227.07306	1.6
227.10777	4.0
237.09212	36.4
238.09947	13.6
239.07112	1.7
239.10789	11.4
241.08711	1.8
241.12355	17.4
242.12614	2.2
245.15379	1.9
249.09303	1.3
251.06999	1.7
253.12344	14.0
254.12555	2.7
257.15482	7.3
267.06760	1.8
269.15442	5.1
275.16461	10.2
277.12433	7.9
279.06647	1.4
281.08255	1.9
286.04855	3.4
287.16501	2.3
291.13721	1.6
295.13422	2.6
297.07736	2.1
301.18127	2.9
313.14429	15.1
347.20114	4.7
359.19873	1.9
361.18008	1.4
361.21802	24.6
362.21988	2.2
377.21268	12.7
378.21408	1.5
379.22849	100.0
380.18924	1.6
380.23212	14.6
385.94672	1.4
393.20526	4.2
405.16083	1.8
405.21130	9.8
406.20963	2.3
411.21832	1.7
423.17529	24.9
423.21771	74.2
424.17880	5.2
424.22131	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	423.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70939	0.6
57.03445	0.6
58.10308	0.5
59.01377	0.9
69.39609	2.6
69.40022	1.3
75.27313	0.6
83.04990	0.6
107.05047	1.3
119.05048	1.1
121.02934	1.2
122.03764	0.7
123.08153	0.6
134.03752	2.8
135.04520	2.5
137.02380	1.0
139.11336	0.9
149.02475	3.1
149.06099	3.6
161.02409	1.0
198.92867	0.6
211.11269	0.7
212.08450	1.6
213.09154	0.7
225.09227	85.7
226.09639	8.1
227.10771	0.7
237.09262	6.7
238.09683	0.7
239.10793	4.5
241.12419	0.8
254.63515	0.6
265.12350	2.1
272.10550	1.2
279.13992	3.6
280.14212	0.7
306.44543	0.6
309.18585	6.0
310.19119	0.7
321.18594	9.5
322.19043	1.2
339.15976	1.6
361.21756	1.8
379.22873	11.3
380.23053	1.7
423.21835	100.0
424.22113	15.2
424.27435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04546	0.8
54.31565	0.6
55.25423	0.6
59.01377	0.7
66.70804	0.6
69.23320	5.9
69.23719	1.6
83.05056	1.0
109.02908	0.8
123.04595	0.8
134.03775	0.7
135.04498	0.8
149.02455	1.2
149.06100	3.0
225.09233	64.1
226.09724	5.8
227.10724	1.1
237.09258	2.2
238.09828	0.7
239.10808	2.3
240.11458	1.2
241.12387	3.3
246.36041	0.7
265.12338	1.6
272.10574	2.6
293.15604	1.2
306.15729	0.7
307.16998	1.0
323.20172	14.7
323.23758	1.2
324.20367	1.5
361.21725	3.9
379.17938	1.5
379.22812	29.6
380.23096	4.3
423.21838	100.0
424.22141	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	423.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
58.00608	0.8
59.01385	100.0
60.01730	1.6
69.20320	5.2
69.20719	1.5
71.01389	14.1
72.94624	0.7
73.02966	1.4
85.02966	2.9
87.00887	1.1
89.02459	3.0
98.19889	1.4
99.00924	0.8
101.02475	2.5
113.02471	1.8
119.03545	1.0
138.99937	0.7
141.42395	0.6
161.04536	1.0
169.08749	2.4
186.40112	0.6
187.09845	1.7
214.98621	0.6
247.07333	1.2
270.07037	0.8
280.15225	0.7
285.08905	1.0
289.82742	0.6
291.14664	2.2
303.94943	0.6
313.12909	8.7
331.13864	5.5
332.14560	0.8
405.09207	0.9
421.21271	0.8
423.10464	3.7
423.18860	2.1
423.26398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80200	0.5
54.18628	0.5
59.01385	100.0
60.01719	0.6
61.98840	2.2
69.81459	1.8
69.81871	1.0
71.01383	5.8
72.99330	0.9
73.02951	1.9
75.00905	0.8
83.01431	0.8
85.02975	3.0
87.00896	1.1
89.02460	4.2
93.00865	0.5
95.01431	0.9
97.06623	0.6
98.20632	0.9
99.00941	0.5
99.92625	0.6
101.02470	4.3
105.00466	0.5
113.02475	3.2
115.92090	1.2
119.03564	1.6
136.87163	0.5
137.02544	0.5
137.06050	0.5
143.03563	0.9
150.03253	0.7
159.10275	0.8
161.04610	2.2
165.05600	0.8
176.65439	0.5
179.05544	0.7
195.06659	0.7
243.12303	0.7
245.09389	0.6
249.06233	0.8
303.14600	2.2
317.64221	0.6
321.15656	2.4
363.16586	4.7
423.09967	0.7
423.18753	2.3
424.18292	0.6
447.25540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28022	0.8
52.00927	1.0
55.61780	0.8
57.03475	0.9
59.18082	0.9
61.72699	0.8
65.00314	2.5
70.85036	2.4
79.01894	3.0
82.97116	0.8
83.05029	8.9
93.03448	1.4
97.02984	1.8
107.01398	2.2
107.05059	1.4
107.84618	0.9
108.02200	1.8
119.05061	1.0
121.02962	2.5
123.08166	8.8
131.05080	1.1
135.00914	2.9
135.04527	5.0
136.01668	15.3
141.07089	1.4
159.08195	1.0
163.00380	1.7
164.01183	10.3
165.01909	3.3
169.06581	2.2
171.04573	0.9
177.01978	1.9
178.99852	7.4
183.08118	2.4
199.07692	2.2
211.07634	3.4
221.06030	1.1
221.65335	0.9
223.07648	27.0
224.08008	1.4
225.09196	2.3
226.06433	1.2
227.07068	2.6
230.05888	1.2
235.07706	3.4
237.09138	1.3
239.07117	2.5
240.34570	1.0
241.08907	1.0
243.08226	0.9
251.06963	1.2
255.06581	1.9
261.09360	0.9
263.10800	3.1
267.06650	9.2
268.07278	3.3
269.08203	15.0
279.06622	5.5
281.08170	1.8
282.14929	1.0
283.06131	4.1
289.08755	7.8
290.09180	1.1
291.13977	1.8
301.12076	1.2
303.13913	1.8
317.13947	2.4
323.12857	2.5
329.11780	2.6
335.12927	1.3
347.12823	6.2
361.18262	3.1
373.14502	8.7
391.15500	28.6
392.15866	3.0
405.16846	5.6
423.18134	100.0
424.18484	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	423.1814
Annotation	Orientanol D
Peak:m/z	Relative Intensity
59.01373	1.2
59.19375	0.6
61.98824	1.2
68.86191	0.8
69.64278	1.2
69.64670	4.1
86.36053	0.7
89.17001	0.7
96.96044	0.9
107.05061	1.5
108.02186	4.6
109.02958	97.4
110.03307	2.3
119.05045	1.6
121.02952	2.2
122.03746	2.1
133.02962	29.1
134.03307	0.7
135.04530	3.7
145.02956	14.5
146.03769	4.2
147.04472	1.5
149.02446	0.7
150.03241	1.5
157.02951	2.9
159.04494	1.2
160.05283	0.9
161.02373	0.9
163.04007	6.0
164.04848	1.7
175.04074	3.2
175.05347	0.7
176.01167	2.5
177.01926	11.6
178.02502	1.1
179.27914	0.8
185.06056	2.0
189.01947	22.7
190.02296	1.3
197.09694	0.8
199.07613	1.0
200.08533	1.0
201.01959	11.5
215.03513	1.6
225.09236	10.2
226.09918	2.8
227.07208	1.4
229.05005	1.1
237.09251	2.2
241.12296	3.3
244.07381	3.8
245.15489	4.9
269.15482	25.7
270.15814	1.7
271.13464	1.6
287.16470	11.3
288.16849	1.5
289.14377	1.2
290.14697	0.7
295.17044	6.9
313.14465	100.0
314.14810	11.4
339.15991	14.9
341.16531	1.5
379.22964	1.2
405.17035	1.9
423.09225	0.8
423.17865	7.7
423.22552	6.4
423.26398	1.7
424.13504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	11.9
59.82933	1.2
65.00314	3.6
68.99825	2.0
71.00397	1.9
71.00719	1.7
73.80494	1.3
74.20122	1.1
75.02870	1.2
79.39905	1.2
83.01383	3.8
93.03431	2.8
93.76562	1.2
96.43925	1.3
107.05015	2.9
109.02941	2.2
109.06577	1.7
117.03474	1.4
121.02917	1.3
123.04556	3.2
123.08151	4.2
124.01667	27.5
127.98588	1.2
131.05037	2.6
133.02948	5.3
134.03836	1.7
135.04526	2.4
136.01683	1.9
137.02432	7.5
149.02464	3.1
149.06075	2.7
150.03235	2.6
151.00383	3.7
152.01157	3.6
159.04558	2.6
163.00380	3.7
164.01106	1.4
165.01889	2.3
168.20038	1.2
173.06041	2.8
175.03972	2.7
175.07561	1.2
176.01196	2.1
176.04765	1.8
177.01924	4.0
177.05573	11.7
177.12875	2.9
178.02667	1.8
178.99846	3.4
191.07083	6.5
193.15970	4.9
199.07617	1.4
201.05649	6.3
201.12836	4.6
203.03526	4.5
203.07172	3.7
217.05017	4.3
217.15936	2.4
219.06639	31.8
219.13904	5.7
220.07175	2.0
229.04979	1.8
243.06497	1.8
255.06528	2.1
261.14957	53.9
262.15302	4.2
267.06644	4.4
271.06161	6.7
287.12906	9.1
289.14432	2.4
315.12668	2.8
317.14001	2.7
337.18298	1.6
347.12756	1.7
351.19620	3.3
379.19238	13.9
380.19351	1.8
391.15497	11.0
392.16022	1.9
395.18643	86.6
396.18973	11.1
405.17368	2.2
423.18149	100.0
424.18430	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	423.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75605	0.6
52.73488	0.5
57.03446	0.6
59.30242	0.6
65.00327	6.7
67.01869	0.5
67.14544	0.5
68.99805	1.9
69.96289	2.5
72.89779	0.5
83.01395	1.3
93.03471	3.8
98.20599	0.7
104.42319	0.5
108.02193	0.5
109.02924	0.9
111.04514	0.7
119.05034	39.7
120.05348	1.5
121.02976	0.7
124.01656	0.9
133.02953	1.5
135.00920	1.1
135.04550	7.9
136.01653	2.4
137.02463	1.2
145.02942	1.0
147.04565	0.7
149.02364	0.9
149.99557	1.3
150.03239	0.8
159.04492	1.0
161.02434	2.3
163.00380	2.1
164.01132	2.1
168.00574	0.6
175.00374	1.3
175.03993	2.1
176.01178	2.6
176.04816	3.2
177.01878	1.5
177.05463	0.6
178.99858	2.2
189.01888	1.3
189.05588	0.9
190.06380	1.0
198.19612	0.5
203.03522	1.1
204.04288	3.6
207.83141	0.6
211.07576	1.1
215.14435	0.6
217.12318	4.9
218.05751	1.0
219.06656	0.6
222.01575	0.6
223.07646	0.7
225.09122	0.7
235.13441	1.0
237.09296	0.7
239.07120	1.2
241.12340	0.7
251.07150	0.8
259.13422	2.9
268.07330	0.7
276.18405	0.5
277.14600	0.7
279.10391	0.7
279.13824	1.0
280.10834	0.7
283.06134	2.5
285.11258	1.4
286.11069	0.5
287.12903	2.1
295.06104	1.8
303.12387	14.2
303.15662	0.9
304.12820	0.9
317.13962	4.1
324.10153	0.7
329.14081	1.5
341.14008	2.8
405.17175	2.0
423.18134	100.0
424.18475	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	423.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19786	0.4
65.00330	5.0
67.01861	0.4
68.99804	0.8
70.66567	1.2
79.01875	1.0
79.60428	0.4
83.01383	0.6
83.05040	0.5
93.03462	2.2
95.01388	0.4
97.02966	0.6
98.82063	0.4
107.01420	2.4
107.05070	0.5
108.02173	1.6
109.02953	0.4
117.03506	0.4
119.05042	22.0
120.05350	0.7
121.02984	1.1
123.00884	0.7
123.08142	1.0
133.02940	0.4
135.00874	2.6
135.04597	0.6
136.01678	12.0
137.02350	0.8
145.02957	1.0
145.06636	0.8
147.04564	0.4
148.01726	0.7
149.02449	0.9
149.99637	0.5
150.03246	0.9
156.84850	0.4
161.02415	0.7
163.00444	1.9
164.01184	9.5
165.01868	0.9
171.04523	1.0
172.05341	0.4
175.03999	0.4
176.01181	2.4
177.01918	1.1
178.02559	0.5
187.04001	0.4
187.19716	0.4
191.03587	0.5
199.07675	0.6
203.03467	0.4
211.07698	0.4
217.12341	3.6
222.01712	0.4
223.07744	0.9
225.05606	0.5
225.09190	0.7
227.07169	1.5
233.11877	0.5
235.13405	1.6
237.09242	0.6
240.07814	0.9
241.08553	0.5
255.06743	0.5
259.09622	0.4
259.13400	1.7
267.06613	3.3
268.07339	1.8
269.08182	4.5
270.08563	0.6
277.14520	0.9
279.06583	0.7
300.06339	0.6
303.12415	11.8
304.12680	1.3
307.09875	1.0
312.47803	0.5
317.13959	3.5
323.12936	2.7
329.14029	0.8
335.12857	0.9
347.12500	0.4
351.12360	1.6
365.13977	0.6
377.17886	0.5
379.19223	1.1
405.16962	0.9
423.18164	100.0
424.18503	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	423.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	7.0
65.00327	4.0
68.99822	1.5
69.44663	4.3
76.34848	0.6
79.46945	0.6
83.01390	1.4
93.03438	1.4
95.01378	0.9
107.05021	1.6
109.02954	1.7
109.06609	1.0
111.00916	1.2
119.05019	1.5
121.02969	2.1
122.03785	0.8
123.00891	0.7
123.04530	2.5
123.08185	0.9
124.01682	16.9
125.02486	1.6
125.14086	0.7
130.04297	0.8
131.05049	1.9
133.02953	2.3
133.06590	2.0
135.00916	0.8
135.04529	1.9
136.01732	0.8
137.02457	5.0
147.08118	1.0
149.02460	1.8
149.06093	2.5
150.03210	2.4
151.00371	2.0
151.07715	0.9
152.01158	2.1
156.05774	0.9
157.06566	0.9
159.04536	1.1
161.02501	1.3
161.06108	0.8
163.00372	2.8
164.01013	0.7
165.01950	2.7
169.06566	1.2
173.06073	2.2
175.04012	1.7
175.07637	1.8
176.01137	2.1
177.01952	4.2
177.05602	10.9
177.12856	2.3
178.05887	0.7
178.99905	1.3
191.07144	5.0
193.15976	4.4
201.05553	4.4
201.12854	2.8
203.03528	2.5
203.07184	2.0
205.04961	1.2
211.07648	4.2
213.05544	1.7
217.05107	2.3
217.16005	2.1
219.06642	21.5
219.13925	5.5
220.07027	1.5
223.07547	0.7
225.09166	2.2
235.07721	1.5
237.05457	0.7
237.09286	0.9
239.07155	7.9
240.07726	0.8
241.08804	1.7
242.05927	1.1
247.06128	1.3
249.67203	0.7
251.07185	0.7
252.07703	0.7
255.06654	2.0
261.14984	34.4
262.15244	2.2
265.05161	1.4
267.06741	1.6
268.06750	0.6
271.06177	5.0
272.06754	0.9
281.04770	0.7
281.07999	1.0
283.06122	1.9
287.12970	5.3
288.13623	1.0
289.14508	1.4
315.12378	2.6
317.14041	0.7
323.12711	0.8
335.20117	1.0
337.17892	1.6
351.19635	1.8
361.18170	1.0
377.17819	0.8
379.19141	11.0
380.19641	1.3
395.18646	58.5
396.18951	7.9
405.17053	4.1
423.18127	100.0
424.18469	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	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01711	3.9
61.21354	4.2
61.98824	8.7
67.28013	3.6
69.91562	20.1
71.01381	35.2
73.02958	18.5
75.00871	5.1
85.02952	17.8
87.00865	4.8
89.02448	21.4
95.01362	4.4
95.31628	3.8
96.96043	4.7
98.20625	4.6
101.02469	21.1
111.04500	4.1
111.08121	4.4
113.02476	14.3
119.03506	6.0
123.46952	3.4
125.02489	4.8
129.53598	4.4
130.70467	3.9
131.03477	4.3
140.07132	4.0
157.08665	4.4
161.04602	5.6
218.52003	3.8
222.01532	4.6
222.03920	4.1
243.12524	4.6
261.04965	4.9
279.11880	4.3
291.14487	7.7
303.24637	3.9
387.16522	11.0
423.13281	5.6
423.18576	31.2
423.26367	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	423.1793
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
59.01387	33.4
60.15018	19.2
70.84579	61.1
71.40322	22.0
84.99107	19.2
92.87906	21.6
126.81278	21.3
139.72906	19.5
149.75189	19.7
161.66832	20.6
163.36044	25.4
214.13669	20.5
237.96169	21.2
355.21674	20.0
423.17859	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	423.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30207	0.6
57.55614	0.6
59.99426	0.5
63.02404	0.9
65.00332	17.9
69.57741	4.1
78.84607	0.6
107.05054	1.4
108.02161	1.0
109.02959	1.9
111.00933	0.5
121.02978	0.9
124.01662	1.2
134.03755	3.3
135.04539	100.0
136.04877	4.3
136.79132	0.6
137.02518	0.7
149.02444	1.4
149.06123	1.5
149.99562	3.5
151.00281	1.0
151.04121	0.6
161.02490	1.6
163.00494	0.8
175.03972	1.3
176.01158	1.6
177.12862	1.4
189.05435	0.7
190.06335	0.8
201.12883	10.4
202.13260	0.9
217.04993	0.7
217.12447	2.0
218.69881	0.6
219.14014	3.1
225.09229	31.2
226.09592	2.5
237.09201	2.7
243.13899	3.7
261.15085	4.2
265.12177	0.8
266.44910	0.6
287.12921	69.8
288.13269	5.9
295.17035	7.3
296.17407	1.1
321.18591	3.9
323.12860	0.8
343.95782	0.6
361.21869	1.0
379.22842	2.1
405.16888	1.0
423.17697	13.7
423.21896	28.5
424.17712	1.5
424.23154	3.5
444.23785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1788
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
59.01384	100.0
60.01711	3.9
61.21354	4.2
61.98824	8.7
67.28013	3.6
69.91562	20.1
71.01381	35.2
73.02958	18.5
75.00871	5.1
85.02952	17.8
87.00865	4.8
89.02448	21.4
95.01362	4.4
95.31628	3.8
96.96043	4.7
98.20625	4.6
101.02469	21.1
111.04500	4.1
111.08121	4.4
113.02476	14.3
119.03506	6.0
123.46952	3.4
125.02489	4.8
129.53598	4.4
130.70467	3.9
131.03477	4.3
140.07132	4.0
157.08665	4.4
161.04602	5.6
218.52003	3.8
222.01532	4.6
222.03920	4.1
243.12524	4.6
261.04965	4.9
279.11880	4.3
291.14487	7.7
303.24637	3.9
387.16522	11.0
423.13281	5.6
423.18576	31.2
423.26367	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	423.1791
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
59.01381	66.1
69.26829	60.5
69.27232	9.9
71.01379	19.8
73.02943	29.5
83.01379	18.8
89.02438	20.6
101.02459	27.2
113.02451	19.0
117.05618	36.2
119.03411	7.9
142.48291	8.4
145.32381	7.1
147.30734	7.0
161.04518	8.4
184.08344	8.7
285.03958	8.0
406.57571	7.9
416.64627	8.4
423.17944	100.0
424.18436	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	421.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92472	0.4
57.03460	0.5
58.46833	0.4
59.01385	100.0
60.01721	0.9
71.01389	4.0
73.02965	1.6
83.01401	0.4
85.02954	1.4
89.02461	1.8
95.01402	0.7
98.20766	0.9
99.00883	0.8
101.02449	3.0
109.02950	0.9
110.81318	0.4
113.02491	1.8
119.03555	0.6
127.94862	0.4
144.83632	0.4
152.70551	0.5
161.04622	1.5
229.02737	0.4
289.16641	0.7
289.20337	1.2
301.16711	1.4
303.21918	0.7
319.17688	6.3
320.18018	0.7
359.72437	0.5
361.18655	3.9
370.14929	0.5
379.23648	0.7
391.34390	0.5
421.11685	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	421.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35094	0.7
70.49438	1.4
72.36321	0.8
78.95906	1.3
80.96536	1.0
144.49219	0.8
163.11302	100.0
164.11571	5.4
178.72546	0.8
185.02197	3.4
201.94946	0.9
253.21880	1.1
339.20071	2.2
339.23309	58.2
340.23602	8.9
379.21283	1.8
421.22284	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	421.2751
Annotation	Remangilone B
Peak:m/z	Relative Intensity
65.21677	0.2
68.23086	0.3
70.03694	0.6
70.04077	0.4
73.60416	0.2
80.96521	0.4
93.03462	0.3
96.96034	0.9
111.04401	0.3
112.98640	0.3
121.02944	0.4
129.07101	0.6
134.03790	0.3
135.04535	2.0
138.03214	0.6
143.08618	0.3
148.01752	0.3
157.06616	1.2
159.04486	0.4
159.08235	0.3
160.83034	0.3
161.02467	0.4
162.03242	1.5
164.01265	0.3
165.01953	1.0
171.08165	13.8
172.05357	0.4
172.08490	0.9
173.06114	1.0
174.06891	2.9
175.03996	1.9
175.07541	0.5
176.21425	0.3
178.02702	0.6
185.06081	2.6
187.07649	1.3
188.08430	1.8
189.09123	0.8
193.01413	0.4
200.04723	0.7
201.05545	1.1
202.06242	0.6
213.05681	1.4
215.07137	16.7
216.07848	5.2
217.08336	0.3
227.07108	0.4
229.08765	0.5
283.13504	0.5
284.14102	2.4
324.20850	0.8
341.56940	0.3
345.66852	0.3
352.20425	0.4
393.28079	2.5
394.28232	0.4
421.27475	100.0
422.27835	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	421.2026
Annotation	(Z)-omega-Acetoxyferprenin
Peak:m/z	Relative Intensity
55.68164	1.5
56.28790	1.5
59.01387	4.1
71.19825	1.3
78.95920	9.1
80.96535	11.3
81.03488	2.6
96.96007	1.8
105.03458	2.2
105.14828	1.7
108.02212	1.9
109.02749	1.4
110.98544	14.1
119.05029	4.2
119.08714	1.5
121.02953	2.7
122.03708	2.0
135.04510	2.9
149.02411	3.4
152.99600	1.6
161.02419	5.3
161.06062	1.7
162.03200	4.2
167.03477	2.0
185.02216	31.0
194.02190	5.6
197.06190	7.0
209.06236	1.9
210.06897	5.1
211.07549	4.3
223.07654	3.7
224.08136	1.6
225.05638	12.5
225.09187	21.5
226.10037	3.1
237.09221	3.2
238.06461	3.0
239.07042	4.8
240.07973	12.9
241.08423	3.2
251.07129	2.2
251.10876	2.5
252.07872	4.0
253.08627	3.2
253.21652	6.2
265.08826	1.6
265.12347	4.9
267.10022	1.5
269.08115	2.2
275.10846	3.3
276.11499	5.1
277.12231	2.5
278.09534	1.7
279.10214	2.3
283.09625	6.9
292.10953	3.4
293.11932	26.6
293.15387	5.4
294.12323	3.2
295.16962	14.2
339.16071	24.2
340.16275	2.3
344.17532	1.8
345.18646	7.0
347.20294	3.3
362.19067	13.3
363.19354	1.9
375.32184	1.7
377.21194	23.2
378.21396	3.1
403.19254	2.2
421.20203	100.0
422.20767	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	421.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
59.67358	1.0
71.53814	1.4
78.95907	3.0
80.96535	6.4
92.24378	1.1
110.98533	2.9
121.02985	1.3
122.59303	1.3
134.03757	49.3
135.04549	65.8
136.04869	2.2
143.05067	2.1
145.06598	3.4
149.06096	26.0
150.06450	1.7
155.30664	1.0
157.06583	4.5
159.04501	2.1
159.08095	2.2
161.02446	1.9
185.02255	6.0
187.03972	1.9
201.05556	6.0
202.06126	1.3
225.09241	13.1
226.09624	1.6
227.14389	3.4
237.09241	3.8
253.21725	8.2
271.13409	13.3
272.13669	1.9
284.03366	2.5
289.14481	11.9
295.06192	2.9
295.17047	13.4
296.17361	2.1
297.07660	2.0
319.10046	1.3
332.79105	1.1
337.10672	5.4
339.16013	30.0
340.16309	4.1
389.98419	1.3
403.19025	2.8
421.20242	100.0
422.20673	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	421.2026
Annotation	4-Methylabyssinone V
Peak:m/z	Relative Intensity
59.01369	1.5
63.47315	0.7
63.60459	0.6
65.00306	2.9
68.99806	3.3
69.61864	3.4
71.01384	1.5
78.95487	0.9
78.95916	10.5
79.09991	0.6
80.96523	7.0
83.01417	0.9
93.03425	0.9
95.01388	2.0
96.96050	1.0
108.02184	0.9
110.00121	1.6
110.98540	15.1
119.05046	7.5
135.00890	0.8
136.01639	1.2
137.99478	0.8
139.00352	1.5
149.06084	1.1
152.99527	1.7
163.00378	4.2
173.06073	2.3
175.00298	1.1
175.03999	1.9
175.07593	0.8
176.01108	2.2
177.01759	1.0
177.12828	1.4
185.02203	27.9
188.04724	0.8
189.01999	0.7
189.05565	4.8
190.06319	4.0
191.06955	0.8
201.05533	1.4
201.12849	2.1
203.03458	2.8
203.07138	1.7
208.00150	0.8
217.05075	7.7
218.05814	5.7
219.13799	1.7
225.09196	2.3
231.06586	3.1
232.39294	0.7
253.21719	6.3
254.21884	0.8
255.06587	0.8
282.05527	0.9
284.06738	1.1
287.12909	3.2
295.05978	1.0
295.17010	2.4
297.07675	9.4
298.07956	0.9
309.07663	1.5
313.14566	0.9
337.10834	7.2
338.11169	0.9
339.16028	3.7
340.16153	0.9
379.19028	1.3
421.20154	100.0
422.20572	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	421.2026
Annotation	Linderol A
Peak:m/z	Relative Intensity
59.01368	1.5
71.01374	1.2
72.99314	0.5
75.44454	0.6
83.05025	0.7
84.65254	0.6
88.98843	0.6
93.03485	1.1
95.01363	0.7
96.96014	1.2
105.01984	0.5
108.02174	1.6
109.02965	1.1
117.03481	2.0
119.05039	76.6
120.05366	3.5
121.02998	1.1
128.87865	0.6
133.03026	0.9
135.04547	1.3
136.01675	4.5
143.05061	1.5
145.02971	2.4
157.06615	2.0
161.02394	3.0
164.01079	0.6
175.04004	0.9
187.04071	1.6
201.05606	2.5
203.07204	1.2
208.05411	1.1
209.06082	1.6
215.07147	2.4
223.04294	0.7
223.07652	12.5
224.04904	1.3
224.08034	1.2
225.03734	0.6
225.05586	3.0
226.06038	0.7
229.08696	0.8
236.04689	0.6
237.05626	1.5
238.10083	0.9
243.13930	0.7
251.07033	0.6
252.04193	0.8
253.05037	1.4
254.05925	1.0
262.09976	0.8
265.05087	1.7
267.06708	3.8
268.07474	1.0
269.11700	0.8
279.06693	4.6
281.08270	1.7
282.09070	0.7
283.13522	0.7
287.13016	1.5
290.09460	0.9
293.08316	1.7
295.09814	0.9
307.09927	1.8
314.07980	0.6
321.11560	2.5
327.12762	1.0
331.17163	2.3
335.12692	0.9
337.10080	0.7
349.18228	2.3
376.17133	0.7
377.17703	4.6
377.21741	0.9
379.19366	1.0
389.17725	0.9
403.15555	1.7
421.08298	2.2
421.20474	100.0
422.15680	1.0
422.20734	14.5
422.25864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
69.49863	5.9
78.53544	0.7
83.05034	55.4
84.05354	0.8
96.96001	0.9
99.92564	1.2
107.05036	2.8
113.57982	0.8
123.08209	2.1
134.03737	1.8
135.04547	6.9
138.58972	0.8
149.06082	2.4
161.02364	1.0
163.72478	0.7
225.09229	53.0
226.09891	12.3
227.10661	3.3
237.06950	1.2
237.09239	16.0
238.09619	1.6
239.10719	1.8
241.12341	8.4
253.12271	0.8
265.12384	0.9
272.10333	1.1
278.13144	1.3
279.13892	3.1
281.08093	1.5
281.15488	10.0
282.15768	1.2
293.15533	14.1
294.15640	1.0
295.13635	1.8
295.17059	46.0
296.17404	5.6
339.16016	100.0
340.16324	13.0
377.21243	11.5
378.21475	1.4
379.14023	1.1
421.07889	2.6
421.15399	4.2
421.20224	87.7
422.08328	1.6
422.15488	0.7
422.20569	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	421.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22611	0.2
57.17300	0.3
59.01368	0.8
61.98816	0.4
65.00307	1.1
65.69023	0.3
68.12206	0.3
69.20375	1.9
69.20799	1.1
93.03465	1.0
96.96048	0.4
108.02180	0.3
119.05040	100.0
120.05353	4.6
135.04544	6.4
136.01648	1.1
143.76347	0.3
145.02959	1.0
161.02451	0.6
175.04092	0.3
188.04858	0.5
199.11298	0.8
223.07733	0.6
225.05624	0.4
237.09192	0.4
246.51349	0.3
246.54062	0.3
259.13684	0.6
267.06784	0.7
277.08524	0.4
279.06754	0.3
281.08334	0.3
285.11353	4.2
286.11792	0.5
293.08679	0.4
307.09839	0.9
331.17368	0.3
365.55240	0.3
377.17499	0.4
377.21628	0.5
385.12686	0.3
421.20578	33.8
422.20923	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	421.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98524	0.5
56.69886	0.5
59.01379	0.8
62.16834	0.6
65.00331	13.3
68.60018	0.5
68.99821	1.0
69.44368	1.3
69.44775	3.5
75.90823	0.5
83.01398	1.7
83.05032	3.5
84.23528	0.5
85.02960	0.6
93.03475	5.8
95.05036	0.7
98.19920	1.2
107.01408	2.2
107.05009	0.9
108.95877	0.6
109.02963	1.3
111.82699	0.5
117.03468	0.8
119.05039	53.8
120.05396	2.1
121.02967	0.8
125.02468	1.3
125.55088	0.5
133.02965	2.4
134.03751	0.8
135.00853	0.7
135.04553	1.5
136.01688	1.6
137.02452	1.4
143.05031	0.6
145.02979	1.8
149.06126	0.6
151.00378	11.4
159.04547	0.5
159.83263	0.6
161.02435	1.5
161.06096	1.0
163.00417	3.3
163.11299	1.2
164.01125	1.1
165.01944	2.5
166.54938	0.5
167.03532	0.5
173.06032	1.5
175.00305	0.8
175.03978	0.9
176.01173	3.0
176.04733	0.9
177.01898	1.7
185.06091	1.0
187.04025	0.9
187.11333	0.9
189.12901	1.1
191.10793	1.7
197.06192	0.6
199.07646	0.7
199.90959	0.7
213.09341	1.1
215.10745	6.7
217.05040	0.8
223.07690	1.1
227.07191	0.7
228.04367	0.6
231.10382	1.6
233.11798	3.2
250.06155	0.6
257.11890	2.2
271.06085	3.2
278.05823	1.0
281.04538	1.1
283.06259	0.7
295.06104	1.0
301.10840	16.5
302.11215	1.8
315.12360	1.6
325.14456	1.1
327.12436	1.6
351.30685	0.6
377.17542	1.5
385.79996	0.6
403.15442	1.5
421.16589	100.0
422.16937	15.7
422.22568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
65.00330	5.9
66.63478	0.7
68.99818	0.9
70.01333	2.7
77.03973	1.5
78.72260	0.7
79.01897	4.0
83.01397	1.9
83.05057	3.6
85.02955	1.0
85.51955	0.6
93.03429	1.2
95.01377	1.2
96.96037	0.9
97.02948	2.6
98.19963	0.8
107.01404	8.5
108.02164	2.5
109.02925	1.3
109.06603	0.7
119.05044	4.0
119.08692	0.9
121.02956	4.0
121.06609	0.9
123.00903	1.0
123.04515	0.8
123.08160	2.2
124.01740	0.8
125.02477	4.7
135.00896	4.8
135.04533	2.8
136.01691	20.1
137.02461	1.5
137.09694	3.9
143.05048	1.0
145.06535	1.4
147.04482	1.0
150.03163	1.0
151.00388	30.1
152.00748	0.9
163.00351	3.1
163.11223	0.9
164.01164	9.9
165.01993	3.7
165.05586	1.1
166.02711	1.3
167.03484	2.8
169.06548	1.1
171.04497	2.2
173.06038	2.3
177.01955	1.6
183.08162	2.4
191.03490	2.0
198.06834	1.3
199.07645	14.6
200.08043	0.7
212.08398	1.5
223.07637	2.0
225.09265	3.9
227.07152	5.3
227.10672	1.6
231.10271	0.7
239.10767	2.2
241.08690	1.5
250.89346	0.8
252.07791	0.8
255.06598	2.8
267.06656	2.6
268.07401	1.7
269.08194	17.1
269.15497	2.0
270.08527	2.2
279.06696	1.7
281.07874	0.7
297.07629	3.0
310.90601	0.6
317.15427	1.1
319.16971	1.4
325.10788	2.0
347.26105	0.8
351.08679	3.6
352.09616	3.3
359.20016	1.9
377.17093	1.0
377.21475	4.2
403.15421	3.4
421.16531	100.0
422.16888	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	421.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.8
61.98825	1.6
69.47375	3.0
71.01388	0.7
73.02937	1.0
81.03464	0.6
96.96019	0.7
103.37457	0.4
109.02956	0.7
119.05013	0.8
119.99176	0.5
121.02979	1.5
128.49008	0.5
131.03540	0.6
132.02179	1.1
133.02971	22.1
134.03781	16.9
135.04555	4.4
136.01651	1.5
137.02446	0.9
143.05072	0.6
145.02962	2.0
146.88495	0.5
148.01689	0.6
149.02480	0.7
159.04445	0.5
161.02408	1.3
169.06665	0.5
171.04555	0.5
181.83833	0.5
187.03995	1.7
195.04498	0.5
197.06038	0.8
198.06909	1.2
199.03979	1.1
199.44464	0.5
209.06056	1.7
211.04013	1.0
213.05524	0.9
217.06635	0.9
225.05563	5.5
225.09000	0.6
226.06378	1.1
227.03548	0.7
237.05609	3.3
238.06273	0.9
239.03595	1.0
249.05614	1.2
253.05042	3.8
254.05797	3.8
255.06204	0.7
265.05045	1.9
266.05872	0.6
268.03763	0.8
280.03796	0.5
281.04620	11.9
282.02197	1.1
282.05322	20.9
283.05829	1.6
289.12149	0.5
293.04614	13.9
294.05508	2.6
294.08694	0.7
295.06100	0.7
304.19943	0.5
307.05966	0.9
311.05603	0.5
314.04379	6.3
315.12424	0.8
321.07602	1.5
322.08420	10.2
323.08829	1.5
337.10736	0.8
363.12344	3.1
403.15689	1.5
421.16583	100.0
422.16919	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98843	7.1
62.45442	4.1
71.01392	19.2
73.02940	11.0
75.00884	6.9
85.02969	11.1
89.02453	15.9
101.02483	13.3
113.02447	8.4
115.92075	5.7
116.92837	25.5
118.54025	5.1
165.05542	9.8
241.10767	7.5
259.06406	5.1
289.16647	7.3
333.56851	5.0
374.83850	4.6
377.17984	24.2
421.16531	97.1
421.20963	9.8
422.16727	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.2
61.98824	2.0
69.88588	1.6
69.88985	1.1
71.01371	1.3
73.02946	1.0
74.37061	0.6
84.05111	0.6
85.02988	0.6
96.96010	2.5
98.20612	0.6
101.02450	0.6
107.05045	1.0
109.06564	0.7
119.05042	1.6
121.02959	1.1
124.01629	0.9
132.02168	1.5
133.02962	19.6
134.03773	17.0
135.00983	0.6
135.04562	4.4
136.01691	1.4
137.02481	0.6
138.82051	0.5
143.05058	0.7
145.02951	2.4
153.01968	0.8
157.02870	0.7
161.02417	0.8
163.07686	0.6
164.08420	0.7
171.04509	0.7
174.03232	0.5
187.04008	1.4
197.06081	1.2
198.06850	1.6
199.04005	1.7
209.06100	1.9
211.04033	1.1
213.05373	0.9
217.06578	0.7
219.06747	0.8
224.04855	0.6
225.05597	5.7
225.09113	0.7
226.06122	1.0
227.03528	0.6
235.07687	0.7
237.05518	2.7
238.06311	1.0
239.03459	1.2
249.05556	0.7
251.07146	0.7
253.04919	2.9
254.05809	2.5
255.02928	0.7
265.05121	1.8
267.02933	0.6
268.03769	0.8
269.08127	1.3
281.04623	10.6
282.05353	19.1
283.05746	2.4
289.12350	1.5
293.04584	12.8
294.05243	2.5
294.08337	0.6
295.06262	0.6
314.04303	5.7
315.12366	0.6
321.07666	1.8
322.08444	10.4
323.08728	0.8
363.12552	2.7
377.17764	0.6
377.23380	1.0
403.15573	1.7
421.16592	100.0
422.16949	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.36475	29.5
69.36908	31.9
71.01383	25.8
71.05002	10.0
73.02940	9.6
74.28914	7.6
75.00881	8.6
85.02966	13.3
89.02457	13.2
98.19942	13.8
101.02437	14.7
113.02441	11.5
122.06110	7.4
128.92941	8.9
133.36617	7.0
146.08228	12.9
157.08713	10.4
195.83931	8.5
197.11890	13.6
213.05568	17.9
217.10851	8.6
241.05113	53.6
241.10794	11.0
277.12381	16.1
289.16476	13.2
295.84866	8.9
327.09967	12.3
421.16620	63.6
422.17303	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00843	5.5
59.01112	7.1
59.01387	88.8
62.65369	6.4
62.65770	5.8
71.01405	11.3
71.55047	8.7
73.02966	8.0
75.00884	10.2
85.02951	12.6
87.00865	7.3
89.02467	10.0
94.93201	6.2
101.02465	15.1
101.06107	18.9
105.11494	6.6
115.81162	6.9
118.98064	6.4
134.03697	6.4
150.03204	6.4
157.08733	14.1
162.54720	7.0
165.05623	11.3
167.03523	11.7
194.47823	6.5
250.53653	7.9
273.17087	8.3
421.16690	100.0
422.17139	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	421.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36786	0.6
57.03457	1.2
58.00590	0.7
59.01387	44.8
61.98837	3.1
68.99815	0.9
69.48598	2.6
69.49022	2.2
71.01388	15.5
72.99315	2.6
73.02947	2.9
74.02477	1.7
75.00874	2.6
79.33076	0.6
79.95745	2.3
82.95411	0.7
83.01404	1.6
85.02963	5.7
87.00900	2.0
89.02453	12.7
90.97138	1.9
95.01405	0.8
96.96020	100.0
99.00911	1.5
101.02457	8.1
109.02988	0.7
109.06590	1.5
110.02499	0.8
113.02451	8.1
113.03612	1.0
113.06096	3.4
116.07342	0.7
118.05103	2.0
118.96635	3.0
119.03508	4.8
121.02910	0.7
123.08199	1.3
125.03581	1.0
127.07649	2.7
132.04575	0.8
132.98225	2.6
143.03468	0.8
144.04617	0.8
149.04556	0.7
153.01994	0.7
157.05113	1.9
160.97794	1.0
161.04562	2.7
170.99753	1.5
171.06688	1.8
179.05632	2.1
217.03983	1.1
241.10782	1.0
249.06216	4.6
263.04544	0.8
263.07742	2.1
267.07248	2.7
281.08725	1.8
302.11627	1.0
323.13449	2.4
361.08234	2.4
361.18842	1.8
377.14688	1.2
379.09152	0.8
403.13013	0.7
421.10147	4.9
421.14194	4.1
421.17743	1.7
421.21985	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.4
59.01370	0.6
59.49466	0.7
70.50940	0.6
77.78110	0.5
83.05035	59.5
83.27856	0.5
83.46214	0.6
84.05350	1.6
88.92845	0.5
99.92588	1.6
103.28231	0.5
107.05059	3.5
115.92085	0.7
121.02905	0.5
123.08189	2.7
126.67788	0.5
126.99837	0.6
134.03761	1.3
135.04536	8.7
137.09668	0.6
149.02332	0.8
149.06047	2.6
161.02405	1.2
197.18854	0.6
200.57602	0.6
212.08527	0.7
223.07613	1.2
225.09230	53.5
226.09894	11.6
227.10765	2.7
235.07796	0.6
237.09218	15.8
238.09544	1.4
239.10829	1.3
241.12334	7.4
242.12556	0.7
253.12366	0.8
265.12354	0.7
269.08310	0.7
278.13077	2.1
279.13885	2.8
280.14554	1.1
281.15469	9.4
282.15826	1.5
293.15521	13.3
294.15787	1.8
295.17041	44.3
296.17346	5.7
337.09351	0.6
339.16025	96.2
340.16379	11.1
377.21255	12.4
378.21591	1.9
379.13672	0.7
421.08459	3.7
421.20248	100.0
422.08627	1.2
422.15045	0.8
422.20511	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	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40717	0.8
69.53075	3.1
69.53501	2.6
83.05031	1.5
86.66221	0.8
92.24632	0.9
93.48904	0.7
94.80984	0.7
96.96003	1.1
99.92578	1.5
127.04871	0.9
130.06850	0.8
134.03731	0.9
134.73007	0.8
149.02455	1.3
149.06065	2.3
161.02512	1.2
183.08011	0.8
225.09215	49.4
226.09613	3.8
237.09218	11.7
238.09541	1.9
253.21684	1.6
272.10678	1.2
293.15808	1.0
295.17044	49.3
296.17374	6.2
339.16010	100.0
340.16327	13.1
395.16858	0.9
421.07593	2.7
421.15091	3.4
421.20349	3.3
422.07974	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01388	6.5
61.98857	0.6
71.01401	1.2
73.02950	0.4
101.02442	0.8
101.75025	0.4
113.02487	0.8
157.06598	0.5
161.04669	0.4
169.03056	0.4
182.03752	0.5
183.04500	0.8
185.00938	0.4
185.02415	0.5
199.04105	0.4
210.03403	0.5
211.04021	4.3
213.01964	1.5
213.09161	0.4
223.04008	2.4
225.01976	0.5
227.03494	1.0
229.05199	0.8
238.02727	0.9
239.03523	8.4
241.01471	1.6
243.03018	1.7
255.02983	3.7
267.03006	3.7
268.03381	0.6
269.04620	1.1
270.05347	0.9
283.02502	14.8
284.02844	1.1
297.04004	0.8
298.01376	0.5
298.04831	11.5
299.05182	1.1
311.01993	12.3
312.02322	1.2
325.03571	2.5
326.04330	60.2
327.04675	6.9
341.06674	100.0
341.60400	0.4
342.07013	10.7
361.29556	0.7
421.02353	12.3
421.14133	0.5
421.28314	0.6
422.02765	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	420.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
57.03429	2.2
59.01387	21.6
61.98829	2.0
67.01893	2.0
68.99814	3.1
69.03448	2.4
69.03804	0.6
70.57295	1.7
71.01015	1.0
71.01390	16.7
72.99313	1.9
73.02941	2.9
75.00877	1.3
81.03479	1.0
81.98479	0.7
83.01382	2.4
85.02969	9.7
86.00092	0.9
87.00883	2.9
89.02452	9.8
91.04024	1.9
95.01405	2.8
96.96024	17.4
97.02994	1.5
99.00924	3.7
100.01151	0.7
101.02466	6.4
111.00916	2.3
113.02455	8.7
113.06101	1.6
114.05622	100.0
115.00465	0.9
115.05988	3.4
117.65382	0.9
119.03527	3.3
123.08160	0.7
125.02465	2.2
126.02795	1.2
126.66064	0.7
132.03088	1.3
143.03511	1.9
146.08279	2.2
156.06676	52.2
157.01479	0.8
157.07028	1.3
161.04637	2.7
162.04878	1.3
179.05696	1.0
197.08310	0.8
203.05496	0.7
213.24374	0.8
231.05144	0.9
249.06195	1.0
263.07745	41.3
264.08261	2.8
277.12427	1.9
281.08902	1.6
323.13654	1.0
361.08368	1.3
420.15427	23.3
421.17664	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	419.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	74.9
60.01717	1.0
69.42826	6.4
70.28913	0.8
76.80682	0.8
76.92938	0.9
82.91943	0.9
85.73399	1.0
87.04523	100.0
88.04843	2.7
98.19914	1.6
147.33836	0.8
164.46194	0.8
213.09195	2.0
284.06616	0.8
392.42316	1.0
419.14618	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82259	0.4
59.01386	26.8
61.98834	0.7
70.32555	0.5
70.55365	1.0
70.55704	0.6
71.01384	0.9
71.48778	0.5
85.02959	0.6
87.04523	100.0
88.04859	2.2
101.02468	0.7
109.56531	0.5
122.03756	0.7
129.06050	0.5
213.09229	2.9
217.45593	0.5
252.04156	0.7
281.11908	0.8
283.06192	1.5
297.07755	1.3
307.09790	1.2
309.11496	1.3
330.08844	1.1
347.12598	0.7
374.73434	0.5
375.12320	1.7
383.67068	0.5
419.14227	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	419.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35436	0.3
59.01385	100.0
60.01722	1.1
61.19001	0.3
61.98809	0.4
69.28317	0.6
69.28722	2.5
71.01409	0.5
79.39431	0.3
84.48655	0.3
89.72795	0.4
92.04484	0.3
96.97652	0.3
113.02534	0.4
137.49976	0.3
201.61443	0.4
213.09270	1.9
228.81912	0.4
410.25165	0.5
419.13965	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	419.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94925	0.8
57.03451	2.4
59.01384	100.0
60.01715	2.0
61.98831	1.4
62.45999	0.8
64.51873	0.9
69.50948	6.0
71.01386	4.2
71.05030	1.4
72.91453	1.0
73.02953	1.7
79.57854	0.9
83.01383	1.1
85.02951	3.3
85.06590	1.6
86.60811	0.9
93.07107	4.8
95.24293	0.9
101.02472	2.4
102.05499	0.9
108.02165	1.0
113.02435	1.6
119.03474	1.0
121.02998	2.0
122.03802	4.4
125.02449	3.9
143.06310	0.8
143.70889	1.0
151.00343	1.4
157.12344	2.1
167.03490	1.1
171.08165	1.4
209.15503	1.4
213.07419	1.7
213.09230	17.5
229.18085	24.6
230.18427	1.4
239.06862	1.0
279.05197	1.9
359.20862	1.0
359.28009	22.8
360.28387	2.5
377.21927	1.1
419.08731	1.7
419.14096	11.1
419.21985	1.4
419.30383	9.5
420.13855	1.0
435.56750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	54.2
60.81796	14.2
66.94823	44.9
69.47374	100.0
71.01382	29.6
71.99126	15.9
78.38313	13.6
83.05009	12.6
90.47292	13.1
93.05412	12.6
94.03014	21.3
96.95996	13.7
108.02154	16.5
112.00427	51.6
137.03529	54.8
154.16368	14.4
190.26556	16.2
213.09193	56.1
213.13330	14.2
315.25461	16.3
351.19296	89.4
353.19894	32.8
419.14603	48.2
419.20367	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.1
61.98836	6.8
66.94845	16.4
69.62196	28.8
71.01384	10.1
82.70312	4.5
95.02505	5.4
96.96032	7.3
101.98184	5.0
105.24982	5.5
107.05012	5.0
109.03069	4.5
109.04060	5.5
112.00410	17.6
121.05339	5.0
122.02456	8.3
136.07697	51.7
137.03603	15.3
147.68146	4.4
147.98865	6.7
213.09146	17.8
235.17126	9.7
270.11237	9.5
336.94046	5.6
339.26859	6.0
351.19489	24.2
352.19547	5.5
353.19937	8.3
355.26440	16.4
357.27795	22.8
375.29071	6.5
383.26083	8.7
419.14548	16.6
419.19650	32.3
419.28275	100.0
420.28421	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	419.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
57.03449	4.8
58.00599	3.7
59.01384	100.0
59.06100	1.1
61.98837	3.1
69.03454	1.8
69.36227	2.0
69.36628	6.5
71.01388	51.7
71.05021	1.4
72.99323	4.3
73.02953	6.5
74.02493	1.0
74.59052	0.9
75.00880	1.7
76.99669	0.9
83.01405	4.1
83.05033	1.8
85.02969	13.8
87.00890	4.5
89.02454	51.4
95.01433	2.4
95.05048	1.6
97.02957	1.2
97.06564	1.9
99.00887	3.1
99.04542	3.8
101.02454	33.4
109.06601	2.0
113.02464	18.3
113.26369	1.0
115.04089	1.4
119.03513	24.2
125.02420	1.2
131.03514	3.4
135.02985	1.6
137.06129	1.4
141.05556	1.5
143.03500	3.4
147.11865	1.3
149.04576	2.7
155.07167	2.1
155.10808	1.4
161.04628	7.1
166.05185	1.2
179.05629	7.3
239.12878	19.8
240.13231	2.5
257.13971	1.5
271.15509	2.5
287.15021	12.1
310.53329	1.2
338.13620	2.2
339.49469	1.0
359.16980	1.4
411.29086	1.3
419.19293	96.4
420.19516	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12442	0.5
55.01891	0.7
57.03460	0.8
59.01385	90.1
60.01720	1.3
67.35194	0.5
69.24797	5.4
69.25202	1.1
71.01384	3.1
73.02946	1.5
85.02960	1.1
85.17570	0.6
89.02455	1.4
97.06592	0.7
98.20654	1.4
99.04527	2.2
101.02450	2.3
111.00931	0.6
113.02470	1.4
119.03603	0.8
123.08175	0.9
126.17527	0.6
149.02452	1.5
149.04568	1.7
150.03249	1.3
161.04611	0.6
165.05574	1.9
165.12871	1.5
167.10899	0.8
193.05086	1.0
195.06706	1.3
203.65312	0.6
207.13898	2.6
209.11848	6.9
213.09241	1.7
223.06158	1.2
225.15005	5.1
227.12897	35.4
228.13200	2.1
251.12955	1.0
269.13934	8.0
271.15729	0.6
287.15036	100.0
288.15323	7.9
419.14014	1.3
419.19067	20.9
420.19333	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	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03449	0.7
59.01383	100.0
60.01717	1.1
71.01381	3.2
71.09768	0.9
72.99353	0.6
73.02969	1.3
75.00905	0.4
85.02970	1.3
87.00879	0.8
89.02476	1.0
99.00875	0.6
101.02437	2.0
108.44815	0.4
109.02965	0.4
113.02488	1.4
155.10780	0.8
161.04550	0.9
169.06569	0.5
209.11742	0.6
211.07680	4.7
212.08041	3.6
213.08417	3.3
215.12856	0.6
227.03545	0.5
227.13000	0.9
237.05663	0.8
238.06006	1.1
239.06238	0.6
255.03116	0.5
256.03662	0.7
257.03812	0.9
269.14157	0.4
271.15619	0.5
285.03784	0.5
286.03885	0.8
287.15097	2.9
287.18744	2.6
317.16171	0.5
377.18146	0.6
389.02856	0.5
389.93747	0.5
419.12851	7.2
419.19406	3.0
420.19656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.6
60.42054	0.4
67.19725	0.4
69.33189	0.9
69.33595	2.6
78.52473	0.4
88.47672	0.4
98.20685	0.9
121.02914	0.4
125.69547	0.4
133.02965	8.4
135.04530	0.8
142.44072	0.4
149.02371	0.6
157.06584	1.4
197.05988	0.7
199.04031	1.1
201.05551	0.8
209.06050	1.2
211.03983	0.8
223.03667	0.4
225.05592	2.3
226.06297	0.5
227.07118	0.4
235.04091	0.5
237.05565	1.3
239.03363	0.4
247.07661	0.4
251.03510	1.0
252.04164	0.5
253.05019	1.6
263.03506	0.9
275.07214	0.7
276.07571	0.6
279.02988	2.9
280.03864	2.1
281.04565	15.2
282.05222	3.6
289.08673	0.7
291.06781	1.0
291.10110	0.8
293.04596	8.7
294.05011	1.5
305.04584	3.1
307.09793	1.0
317.08148	1.3
318.08539	0.4
319.06110	0.7
320.06879	2.7
321.07571	0.7
328.06067	0.9
334.08591	0.6
335.09256	60.1
336.09616	6.0
404.16293	18.5
405.16751	2.6
419.18661	100.0
420.18997	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	419.1867
Annotation	Nitiducol
Peak:m/z	Relative Intensity
51.38760	0.5
59.01383	0.8
59.12630	0.4
62.12902	0.4
70.60969	0.9
70.61336	1.0
75.54465	0.4
87.45339	0.4
92.25928	0.5
92.97210	0.5
113.78200	0.4
117.03452	0.8
119.05037	0.7
120.61983	0.4
163.00475	0.6
173.06091	2.2
174.06848	1.0
189.38322	0.5
199.04095	0.9
200.04701	0.6
201.05550	0.6
209.06071	0.8
215.03500	0.6
225.05545	1.3
227.03580	0.5
237.05602	2.0
251.07167	0.6
253.05026	1.7
268.07510	0.5
279.10324	0.6
280.03802	1.6
281.04541	8.1
282.04996	1.0
291.10330	0.7
292.03696	0.6
293.04626	1.5
296.06799	2.2
317.08066	0.7
320.06860	1.2
328.05969	3.8
334.08456	0.5
335.09235	15.9
336.09668	2.2
349.10941	0.9
350.11615	0.6
375.19434	1.0
404.16397	4.4
405.16397	0.6
419.18625	100.0
420.18994	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	419.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61295	1.3
59.01389	4.9
60.01014	1.3
64.52750	1.2
66.13065	1.3
71.54862	1.9
73.02025	1.5
80.17222	1.3
83.05001	1.5
96.96040	2.7
99.20000	1.3
107.66729	1.2
118.12749	1.4
119.05041	3.3
120.40403	1.3
121.72667	1.5
135.04553	2.3
148.01675	3.8
157.06630	2.8
165.81978	1.5
174.06860	1.7
187.07674	3.3
189.09213	6.8
201.09204	5.6
204.07983	1.6
205.51649	1.7
207.61230	1.2
213.09207	3.6
219.06633	3.0
223.07712	3.2
237.09230	1.8
248.12042	1.7
251.48560	1.6
261.12811	2.3
263.11270	1.6
263.14410	8.5
277.12399	12.8
278.13062	10.2
293.15494	100.0
294.15863	12.7
307.13394	11.6
310.12283	3.5
313.18069	3.1
337.14496	59.0
338.14828	7.9
360.11462	1.6
419.13980	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	419.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49043	0.9
53.22453	0.8
56.32865	0.8
59.01369	2.6
67.35212	0.9
69.06492	0.8
69.49008	6.0
74.31785	0.9
83.04993	0.9
96.96010	1.4
98.20671	1.2
112.45312	0.8
113.92831	0.8
117.03456	0.9
119.05054	7.3
131.32268	0.9
131.43143	0.8
137.94817	0.9
155.05029	1.1
167.05023	0.9
183.04575	4.8
195.04491	4.8
209.38779	0.9
211.04007	9.8
213.09061	1.4
215.07097	0.9
223.03934	4.8
224.90222	0.9
239.03522	27.9
240.03876	2.0
243.13812	1.1
267.00183	1.8
267.03018	35.8
268.03308	2.8
269.08206	0.9
278.68030	1.0
282.05362	100.0
283.05795	8.7
283.64938	1.0
333.69815	1.0
337.14368	3.3
419.18582	14.5
420.19122	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	419.1352
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
54.47873	0.4
55.01872	0.6
57.03444	0.7
59.01386	6.7
65.03960	0.5
69.43182	1.5
69.43603	1.9
71.01385	5.0
73.02953	1.7
80.69637	0.5
81.03465	0.7
83.01408	0.7
85.02962	2.0
87.00890	0.5
89.02451	2.2
91.12682	0.4
93.03458	3.5
99.00880	0.5
101.02477	2.6
106.04259	12.2
107.05048	24.4
108.02174	2.2
108.05346	1.3
109.02996	0.7
111.04552	0.6
113.02480	0.9
119.03519	0.5
119.05034	2.0
120.83234	0.5
121.02967	3.4
122.03753	1.9
125.02490	0.5
125.41644	0.4
129.92529	0.5
138.03247	0.8
150.03264	0.7
151.03969	1.2
165.05566	0.5
168.41818	0.4
171.08167	1.9
182.02226	0.5
182.52217	0.5
211.07660	9.8
212.07971	0.8
213.09238	78.3
214.09581	7.4
239.07158	0.8
257.08218	9.1
258.08582	0.5
288.15506	0.5
419.13501	100.0
420.13852	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	419.12
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01895	9.1
56.43519	1.9
57.03435	3.7
58.22499	1.6
59.01388	76.1
69.03470	9.2
71.01389	66.7
71.29929	2.6
72.83941	1.6
72.99317	2.2
73.02951	36.7
76.26476	1.8
78.79076	1.6
79.31873	1.8
83.01392	17.1
85.02964	26.3
87.00887	5.0
89.02448	15.8
92.20135	2.1
93.59772	1.9
94.26010	1.9
95.01384	7.5
97.02962	36.2
99.00888	79.5
100.69968	1.8
101.01801	4.1
101.02456	68.5
113.02460	33.4
114.05618	21.7
119.03520	2.0
122.03731	3.7
124.01665	2.5
125.02464	100.0
126.02779	3.4
131.03520	5.6
143.03549	8.9
156.06665	9.0
159.02975	5.3
161.04576	62.4
163.06134	2.2
179.03616	2.7
179.07146	2.1
182.01323	1.8
182.05849	8.5
191.05641	12.3
197.08209	24.2
203.05641	13.8
263.07758	6.0
287.07947	4.0
293.08887	11.3
419.11948	87.9
420.12378	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	419.135
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
56.60308	0.6
63.50671	0.6
69.37702	3.3
69.38111	1.0
72.61942	0.7
73.02957	0.8
81.03462	2.5
91.01894	1.5
98.20637	1.1
100.67696	0.5
101.02457	0.5
108.02181	1.2
116.17142	0.7
122.03752	17.7
123.04099	1.0
125.02440	1.2
137.02489	1.4
142.07483	0.6
169.06584	1.5
169.10226	2.0
171.08162	9.3
196.15855	0.6
213.09222	99.5
214.09572	10.5
239.07158	7.8
240.07584	1.0
257.08191	4.4
273.30017	0.6
419.13486	100.0
420.13824	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	419.135
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
54.25183	0.2
58.98649	0.2
59.01384	2.8
59.20932	0.2
67.35825	0.2
69.41681	1.4
71.01389	1.9
73.02963	0.7
78.95929	0.3
80.02714	0.4
81.03452	1.8
83.01397	0.2
85.02977	0.6
89.02457	0.4
91.05533	0.5
93.03507	0.3
95.01407	0.4
97.09348	0.2
101.02462	1.1
108.02184	1.4
108.04594	0.4
109.02970	0.3
113.02459	0.7
113.93719	0.2
122.03752	17.6
123.00891	0.4
123.04119	0.6
124.01701	0.4
125.02489	1.2
136.07710	1.2
137.02448	1.3
153.01953	0.4
154.02763	0.4
154.91499	0.2
156.05841	0.5
161.04561	0.9
163.45044	0.2
167.19006	0.3
169.06647	0.7
169.10216	2.1
171.08182	8.2
172.08543	0.5
209.15588	0.3
211.13420	0.3
213.09235	100.0
214.09561	8.6
239.07249	0.5
257.08218	36.2
257.12894	2.6
258.08554	3.4
271.15448	0.4
301.12073	1.6
304.46793	0.2
320.09921	0.2
419.13492	5.1
419.22662	0.4
420.13977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63819	0.3
51.54228	0.3
59.01384	100.0
60.01720	1.0
67.59934	0.3
70.92311	0.7
71.01410	1.0
72.78676	0.3
74.91431	0.3
83.01396	0.3
85.02975	0.5
88.30933	0.4
101.02477	0.5
113.02463	0.5
121.02937	1.6
213.09300	1.0
267.03076	0.4
268.04047	0.6
269.04355	0.4
285.21014	0.4
378.42990	0.3
389.24039	0.3
417.08444	1.0
417.28867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01723	1.9
71.01401	1.2
71.55116	0.4
73.02959	0.5
79.67366	0.4
83.05053	0.6
85.02963	1.0
101.02477	1.0
109.06601	0.6
111.08177	2.5
113.02493	0.9
121.02992	0.5
125.09728	2.6
134.67822	0.4
148.78130	0.5
161.04681	0.6
169.45679	0.4
173.08234	1.9
187.09853	1.5
213.09329	2.0
220.06306	0.4
242.90750	0.5
261.13483	0.8
262.14352	0.5
285.20868	0.8
356.28040	0.5
417.15964	0.7
417.21439	1.7
417.26721	0.6
436.38672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16840	2.9
50.75200	3.1
51.61100	2.9
51.78115	2.8
59.01387	100.0
65.37189	2.5
70.09423	12.4
72.81535	2.9
75.89639	2.7
96.72637	3.4
109.25269	2.8
122.49798	3.1
133.03712	3.6
133.37933	3.1
208.44331	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32830	0.6
59.01385	100.0
60.01699	1.1
65.44511	0.5
69.94588	0.7
71.01384	1.8
71.55148	0.7
71.55511	0.9
72.56368	0.6
73.02948	0.8
85.02974	0.8
89.02457	0.7
101.02492	1.0
113.02495	1.1
135.04643	0.6
171.69168	0.7
213.09148	1.0
312.65109	0.7
316.91852	0.6
417.29041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.2
57.03450	3.9
59.01385	100.0
62.27512	1.1
64.14034	1.2
68.83897	1.2
69.03438	3.1
69.33862	5.0
69.34292	6.6
71.01389	47.6
72.99313	4.3
73.02953	56.0
75.00873	2.7
76.07845	1.4
83.01393	13.1
83.05049	2.2
85.02950	10.3
87.00858	2.3
87.04462	1.7
89.02458	12.9
95.01410	3.5
95.05020	4.1
97.02931	2.4
97.06600	2.1
98.19960	3.2
99.00869	2.4
99.04523	4.7
101.02452	40.0
107.05022	5.1
113.02453	12.3
115.07642	4.4
119.03487	5.5
119.05029	3.0
125.02456	1.9
125.09735	1.3
131.03497	2.9
135.00912	6.0
136.05290	2.4
139.11252	3.8
143.03503	2.6
145.67670	1.4
148.01663	4.6
149.04573	1.8
149.09723	1.6
151.10130	2.4
151.11301	35.6
152.11752	1.4
153.01985	1.6
155.03482	1.7
159.02989	1.6
161.04550	9.1
164.08379	2.3
165.04047	1.5
167.10698	1.5
169.12320	4.1
177.09241	6.0
179.05618	1.8
180.00655	2.5
185.11914	2.0
190.02972	1.2
190.05434	1.2
193.12323	3.5
195.10280	62.0
196.10591	3.1
211.07654	6.7
211.13429	2.8
213.09407	2.2
213.11296	10.0
237.14935	7.9
238.35989	1.3
251.22227	1.2
255.06700	9.6
269.13943	4.3
269.17542	8.1
285.17032	4.1
366.21585	1.4
417.11963	5.2
417.16864	1.7
417.20688	9.4
417.25806	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	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03446	3.2
59.01387	100.0
60.01716	1.6
61.98846	8.5
68.69070	1.0
69.03461	1.2
69.55167	4.8
69.55575	2.3
71.01388	29.0
73.02954	19.0
82.66666	1.0
83.01397	6.1
85.02946	12.0
87.00886	3.9
89.02450	15.8
95.01409	2.0
97.06635	1.2
99.00895	4.1
101.02454	28.6
111.00966	1.1
113.02456	12.1
119.03507	3.6
125.02409	1.5
137.02477	2.2
139.07614	1.2
143.03523	1.9
149.04555	4.9
151.00366	1.2
159.03006	1.0
161.04596	11.6
166.02739	4.5
169.12479	1.8
177.09259	6.0
179.05652	1.6
181.05103	5.4
195.10286	1.2
243.12563	1.3
285.04324	1.3
285.13550	2.2
285.17105	3.7
300.78568	1.2
331.17688	4.4
339.14316	1.5
357.15567	5.9
375.16690	1.9
387.11508	1.1
399.16605	9.5
417.08557	1.8
417.17712	41.0
418.17917	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46741	0.7
51.73266	0.6
53.66368	0.6
55.01890	1.2
57.03452	1.9
58.00612	1.2
59.01386	100.0
60.01730	1.0
61.98836	3.9
70.38921	2.4
71.01392	27.8
72.99332	1.8
73.02947	5.1
74.36028	0.6
74.48559	0.6
75.00877	1.2
83.01414	3.1
85.02962	8.4
87.00901	2.1
88.30745	0.6
89.02455	23.8
93.03484	1.6
95.01404	1.4
99.00890	1.5
101.02456	20.8
113.02478	11.5
119.03536	10.0
121.03044	0.8
131.03558	1.0
133.10300	0.8
137.02504	2.3
143.03543	2.8
149.04634	2.1
151.00398	1.2
159.03047	1.0
161.04584	19.2
162.04973	1.1
166.02795	2.8
166.05141	1.6
167.03554	1.3
169.04045	1.0
177.09288	3.7
179.05620	5.2
181.05106	3.4
183.79788	0.7
195.10248	2.2
254.03708	0.9
285.13412	0.9
354.01559	0.7
357.15573	20.3
358.15927	2.0
417.17892	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03441	3.0
59.01386	100.0
61.98820	1.3
65.74543	1.1
71.01391	27.0
72.90180	0.9
73.02950	8.7
75.00871	2.1
83.01377	3.1
83.38316	0.8
85.02956	11.9
87.00860	1.5
89.02444	5.3
93.03467	3.4
95.01398	1.2
98.19875	2.9
99.00887	4.0
99.91020	0.9
101.02452	19.0
109.63105	1.1
111.08161	1.7
112.04024	3.0
113.02460	12.0
119.03477	1.2
121.02962	4.2
123.04530	1.3
124.04034	1.8
125.02489	1.2
129.01819	1.1
135.04523	0.9
137.02457	5.9
139.07681	13.1
143.03482	1.6
144.18610	1.0
149.04549	2.5
149.51381	1.0
153.05582	1.6
159.02983	2.4
161.04581	28.8
162.04884	1.4
165.08928	1.0
166.02849	1.4
166.05109	25.8
167.03517	1.2
180.07893	6.3
181.05051	2.4
181.77084	0.9
184.06137	1.4
195.10280	8.9
204.08699	1.0
211.07658	1.7
237.11023	0.9
254.03656	2.2
269.13959	1.4
285.13452	1.8
357.15659	5.4
417.17599	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	417.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.71954	0.3
59.01386	32.5
60.01714	0.5
65.77048	0.3
67.01910	0.4
69.17977	1.9
69.18399	0.6
71.01394	2.2
72.99322	0.4
73.02938	0.4
81.03463	1.6
83.01380	0.4
85.02968	0.9
87.00872	0.3
89.02448	1.2
91.05578	0.3
93.03466	0.2
95.01392	0.7
97.02965	0.3
101.02459	1.4
108.02187	1.1
109.02997	0.3
112.89762	0.2
113.02472	0.8
116.92853	0.5
117.48051	0.2
121.02865	0.4
122.03754	13.6
123.04089	0.3
125.02429	1.0
135.04594	0.3
136.05350	0.3
137.02435	1.5
137.33740	0.2
146.03745	1.0
149.06139	0.3
153.01813	0.3
154.02740	0.4
156.05745	0.3
159.04562	0.4
161.02464	1.5
169.06592	0.4
169.10248	1.7
171.08171	6.3
172.08574	0.3
174.01846	0.3
174.03340	0.3
211.07777	0.4
213.09230	100.0
214.09570	8.2
225.09161	1.0
227.10831	1.5
237.09236	8.0
238.09532	0.8
239.10779	1.1
249.09203	0.3
251.10844	0.7
252.08090	0.3
253.08658	0.4
253.12595	0.5
255.06877	0.4
255.10278	1.7
267.10217	2.0
279.10297	1.8
281.11938	0.3
297.11337	0.8
309.11267	0.7
320.08820	0.3
327.67169	0.3
339.12598	0.3
357.13449	8.1
358.13831	1.3
361.44595	0.3
417.28604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14877	1.3
55.01877	2.7
57.03447	6.1
59.01386	100.0
60.01709	1.6
61.98845	8.4
69.66576	6.5
71.01392	52.0
72.99318	2.3
73.02956	16.9
75.00882	3.9
79.66086	1.4
83.01397	4.9
85.02953	23.4
87.00878	3.7
89.02431	8.1
89.05266	1.3
94.55130	1.2
95.01395	4.9
95.73869	1.3
97.02930	2.1
98.19844	1.3
99.00892	6.3
101.02454	29.7
109.02956	2.2
111.00882	2.7
111.08192	2.9
113.02451	23.1
119.03526	3.5
121.02967	12.5
123.04485	2.1
123.08167	1.7
125.02467	3.0
125.06110	1.6
129.02020	2.1
131.03516	1.6
139.07657	25.5
143.03499	4.9
149.04564	3.0
159.02975	6.5
159.11801	2.0
161.04572	56.9
162.04907	2.3
165.04059	3.2
167.03607	1.5
177.09181	1.2
180.04323	2.8
184.40892	1.3
195.06673	2.8
195.10240	5.6
209.08209	2.0
243.06595	3.5
249.06020	1.3
254.03604	1.7
269.07410	1.5
269.10364	3.4
269.13858	3.2
285.08084	1.3
285.13483	4.1
338.13541	1.7
357.15543	15.8
417.08514	3.2
417.17776	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	417.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.0
70.63129	0.3
80.02676	0.1
81.03465	1.5
93.03476	0.2
95.01406	0.1
101.02441	0.2
105.30014	0.1
108.02180	0.9
109.03008	0.2
122.03752	15.2
123.00887	0.3
123.04073	0.6
125.02462	1.0
134.68562	0.1
136.01640	0.2
137.02458	1.3
153.01962	0.2
154.02766	0.4
156.05833	0.4
169.06599	0.5
169.10257	1.7
170.10617	0.2
171.08174	6.8
172.08519	0.5
183.79538	0.1
213.09230	100.0
214.09579	8.3
237.09187	0.3
247.47939	0.1
255.06496	0.3
255.10226	0.2
357.13544	0.2
378.63135	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	417.1194
Annotation	CHEBI:68138
Peak:m/z	Relative Intensity
55.75411	0.2
59.01338	0.3
65.03928	0.5
69.41453	1.6
69.41859	0.4
71.01340	0.5
74.35117	0.2
75.49046	0.2
92.73191	0.3
101.02430	0.3
109.02863	0.2
141.07144	0.3
141.40947	0.3
151.00359	0.4
152.06274	0.3
165.07027	0.8
166.02664	0.8
167.08672	5.1
168.08946	0.4
168.76178	0.3
169.06604	11.9
170.06860	0.9
181.05096	0.9
193.06575	0.5
209.06058	0.6
211.07651	100.0
212.07977	9.6
213.51088	0.2
227.03499	5.2
228.03903	0.5
229.04944	0.3
237.05577	4.4
238.05945	0.4
255.03009	6.4
255.06642	2.1
256.03564	1.1
269.07330	0.4
284.03284	5.8
285.03955	2.2
286.04340	0.3
417.12204	34.3
418.12531	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	417.1555
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
51.94143	0.3
59.01327	3.1
69.53764	0.8
69.54173	1.9
69.82699	0.4
71.01348	0.9
73.02937	0.5
81.03453	0.7
85.02912	0.5
89.02411	0.3
93.03418	0.4
95.01356	0.8
95.04991	0.5
96.60878	0.3
101.02413	0.7
105.03432	0.4
107.05027	0.4
107.61843	0.3
109.02981	4.2
111.00871	0.8
113.02395	0.3
121.02892	1.1
123.00903	4.4
123.04464	0.9
124.01667	0.5
125.02415	0.8
133.02914	0.5
137.02460	16.2
138.02861	0.6
139.00340	0.6
139.03972	0.9
147.04471	0.5
149.02435	1.2
149.06062	0.7
150.03192	0.4
151.00383	27.9
151.03917	1.9
152.01155	3.1
152.04785	2.2
153.01884	0.5
153.05566	0.6
159.04556	0.6
160.36398	0.3
161.02415	0.5
163.04016	0.8
164.04758	0.7
165.01942	1.1
165.04076	0.6
166.02724	71.2
167.03343	5.4
167.08653	1.4
169.06589	2.6
173.02487	0.4
175.03983	1.2
177.01930	3.9
177.05656	0.5
179.03474	1.0
181.05074	100.0
182.05374	4.7
184.03827	1.1
189.63960	0.4
190.02786	0.8
190.06332	1.4
191.03508	1.5
192.04321	1.6
193.05020	1.2
195.03001	1.1
203.03520	0.7
204.04395	0.4
205.05132	1.0
205.08722	2.4
207.06668	2.0
211.07652	21.7
212.07942	2.0
219.06622	0.7
227.03490	3.4
237.05661	0.5
255.02968	3.3
255.06665	0.8
256.03653	0.7
269.14148	0.5
269.17792	0.9
284.03217	4.5
285.04196	1.4
285.17282	1.0
297.07089	0.4
301.07343	0.6
314.08078	0.4
327.09076	0.5
329.10471	0.9
333.42059	0.3
341.10220	0.4
356.12912	0.5
357.10059	0.9
359.11462	2.4
371.15417	1.1
387.10858	16.3
388.11115	1.7
402.13199	13.6
403.13968	1.3
417.07928	1.1
417.16095	24.9
418.16434	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	417.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38594	0.9
55.01875	2.0
57.03433	3.5
57.38492	0.9
59.01385	27.7
60.01701	1.0
61.98828	1.5
68.99821	2.1
69.03448	2.8
69.49319	7.0
71.01392	21.1
72.99321	5.2
73.02940	4.5
75.00879	17.5
83.01392	2.6
83.05090	1.2
85.02961	15.5
87.00873	6.9
89.02464	9.5
93.03456	3.9
95.01379	3.7
97.02965	1.1
99.00890	10.4
101.02441	4.2
103.00362	1.9
107.01276	1.1
108.02156	4.1
109.02947	2.1
111.00878	3.1
111.01580	0.9
111.04561	1.1
112.93153	1.0
113.02464	14.4
115.00336	3.0
117.01954	2.4
119.03517	1.0
123.00884	1.4
123.04534	39.9
124.04856	1.8
125.02374	1.2
129.01955	1.7
131.93733	0.9
137.02466	6.2
145.78954	1.1
149.04550	2.4
151.03992	1.0
152.01161	12.3
153.01851	1.6
153.05661	1.2
161.04546	1.2
167.03514	86.8
168.03825	4.1
175.02541	2.0
179.03456	1.2
197.04353	1.3
207.10358	1.0
227.07243	1.4
231.05066	3.9
241.07094	2.7
249.06174	31.9
250.06474	1.6
255.06616	1.4
357.08151	1.3
399.09247	4.8
417.10306	100.0
418.10681	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	417.1194
Annotation	CHEBI:68138
Peak:m/z	Relative Intensity
51.09404	0.3
55.47412	0.3
59.01399	1.9
59.06269	0.3
65.03956	0.7
70.28980	1.2
73.02928	0.5
77.52921	0.3
97.62064	0.3
99.36681	0.3
101.02426	0.4
101.13441	0.3
106.58736	0.3
107.27976	0.3
109.87316	0.4
119.05029	0.5
135.00925	0.4
141.07054	0.4
152.06300	0.7
165.07098	1.3
166.02823	0.5
167.04951	0.4
167.08675	5.0
169.06609	10.6
170.06879	0.8
181.05090	0.5
183.08102	0.4
193.06645	1.5
196.05377	0.6
199.41345	0.3
209.06104	3.8
210.06619	0.5
211.07664	100.0
212.07999	9.1
225.09312	0.4
237.05602	4.8
238.05986	0.6
239.17358	0.3
242.94598	0.3
245.35579	0.3
253.08760	0.5
255.06676	3.5
256.06979	0.4
277.80078	0.3
285.17032	0.4
417.11945	43.4
418.12332	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	417.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
57.03439	4.3
59.01121	2.3
59.01385	31.0
59.91114	1.4
65.00356	1.6
67.01895	2.1
68.99801	2.2
69.03447	3.3
69.74891	6.2
69.75301	2.2
71.01385	26.8
71.42937	1.3
72.99309	9.0
73.02958	3.2
75.00881	20.9
81.03444	1.8
83.01388	2.5
85.02958	29.1
87.00873	12.0
89.02458	11.0
91.01892	14.4
93.03448	4.4
95.01372	7.5
96.96040	1.4
99.00899	16.6
101.02433	3.8
103.00359	3.4
107.01409	1.7
108.02155	5.1
109.02966	7.2
111.00861	3.7
111.04443	1.6
113.02462	30.3
115.00356	2.1
117.01938	4.8
123.00927	1.8
123.04541	55.8
124.01648	2.1
124.04860	2.7
129.01917	4.7
137.02406	4.9
137.66507	1.5
151.00359	2.7
152.01193	6.4
153.01912	13.0
157.01454	2.2
165.01828	1.6
167.03506	100.0
168.03796	6.0
175.02470	4.8
195.05148	1.7
209.04321	1.5
224.36397	1.6
226.04782	5.0
227.05605	6.0
231.05005	5.0
241.07217	9.7
242.07249	1.3
249.06169	67.2
250.06421	2.6
252.20950	1.5
267.07233	25.0
268.07544	1.5
355.10510	3.1
357.08496	3.1
385.07874	2.5
399.09232	12.7
417.10342	92.4
418.10718	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	417.083
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.03453	1.1
57.73812	0.4
59.01387	16.1
60.01722	0.5
68.83138	0.4
71.01392	6.0
71.05045	0.7
71.31287	0.5
73.02950	3.1
73.67233	0.5
75.00871	1.0
77.03955	0.6
79.01913	0.6
80.91006	0.6
80.96546	0.5
83.01389	1.4
83.05051	0.6
85.02956	3.1
87.00880	1.5
89.02454	4.3
93.03468	0.6
95.01375	0.8
99.04537	1.1
101.02447	3.2
102.02836	0.6
107.01373	0.7
109.02979	0.9
113.02468	2.6
119.03526	1.8
119.05060	0.6
122.03126	0.5
125.02462	0.7
135.00894	0.9
135.04645	0.5
137.02460	0.7
143.05009	0.5
145.03036	0.5
149.02495	0.7
149.04578	2.1
151.00354	1.9
153.45819	0.5
161.02441	0.5
161.04544	1.4
163.00319	0.5
163.04037	0.6
165.07103	0.8
166.02745	1.1
167.08701	3.8
169.06606	11.6
170.06970	1.0
181.05063	1.3
183.04538	0.7
193.06589	1.1
193.12390	1.3
209.06110	1.1
211.07651	100.0
212.08015	8.3
214.02739	0.5
227.03505	50.5
227.07137	1.5
228.03860	4.5
229.05040	1.2
229.41425	0.6
231.13901	0.5
237.05568	7.5
237.11285	1.0
238.05794	0.7
243.56168	0.5
249.15036	1.2
255.02998	65.6
255.16054	0.8
256.03552	10.1
257.04279	1.1
267.06696	3.8
267.16074	1.5
268.06958	3.1
269.07199	6.3
269.13672	1.2
269.17606	2.7
284.03271	62.5
285.03943	16.7
285.13519	2.1
285.17102	7.1
295.06131	3.7
296.06512	2.3
297.06717	9.9
299.18277	0.6
385.76987	0.7
417.08258	57.9
417.12341	27.5
417.21143	2.8
418.07629	6.8
418.12698	3.0
418.21451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32689	0.5
57.03459	0.8
59.01385	100.0
60.01724	1.1
71.01391	6.4
72.99340	0.6
73.02974	1.3
85.02979	2.8
87.00924	0.6
89.02450	3.7
89.02977	0.5
95.01436	0.5
99.00907	1.1
99.28052	0.6
100.41412	0.6
101.02442	4.8
111.00919	0.5
113.02457	3.7
116.29992	0.4
119.03533	1.5
131.23911	0.6
133.03017	0.7
136.57285	0.5
143.03503	0.6
161.04607	1.4
165.04102	0.8
167.10849	0.7
175.12227	0.5
195.04652	0.6
211.09789	1.4
223.13626	0.7
250.58998	0.7
267.06723	1.3
267.16113	1.3
295.06210	1.2
311.05835	1.8
415.10699	2.2
415.19626	1.4
415.24127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
59.01384	100.0
59.63750	0.3
60.01723	1.5
69.99755	1.5
71.01391	3.7
71.84641	0.4
73.02957	1.5
83.01396	0.6
85.02956	1.8
89.02482	1.8
93.60211	0.3
99.00907	0.7
99.04558	0.4
101.02441	2.8
112.04340	0.3
113.02431	2.3
119.03547	0.9
133.03008	0.5
143.03593	0.5
143.13992	0.4
146.65886	0.3
161.04581	0.8
165.04105	0.7
179.05644	0.4
200.45891	0.4
223.13509	0.7
267.16068	0.8
268.03967	0.4
283.15652	0.7
334.13638	0.4
373.22571	0.6
415.19434	0.5
415.24030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43514	0.4
58.77380	0.4
59.01385	100.0
60.01723	1.3
71.01386	7.5
73.02935	2.4
77.03992	1.0
79.01894	0.6
83.01418	1.6
85.02966	2.6
87.00914	0.5
89.02457	3.4
89.87925	0.3
95.01408	0.9
97.85231	0.4
99.00883	0.6
101.02452	4.9
113.02467	2.7
119.03526	1.4
121.03019	0.6
129.32053	0.4
135.03058	0.5
143.05049	0.8
145.03049	0.7
149.09741	2.1
151.00417	0.5
161.04568	1.2
165.09164	0.8
167.10774	2.7
181.06619	0.6
193.08685	1.0
195.87451	0.4
209.05911	0.4
210.08626	0.5
211.09802	4.7
218.26921	0.4
223.07718	0.9
235.13487	0.6
253.05177	1.4
265.05212	1.6
266.05783	1.0
267.06635	13.5
268.07086	1.4
279.06845	1.6
283.15665	0.5
285.62131	0.4
295.06143	21.0
296.06473	2.2
298.04929	0.9
307.06119	2.2
311.05664	0.6
325.07196	4.8
326.07614	0.5
337.07269	0.5
373.22504	0.9
415.10349	11.3
415.19702	1.5
415.24127	1.0
416.11069	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38729	0.5
57.03448	1.0
57.67669	0.4
59.01384	100.0
60.01713	1.0
61.19513	0.4
69.47368	1.5
69.47798	1.8
71.01389	12.3
73.02954	9.9
73.55512	0.4
76.41846	0.4
83.01392	2.3
85.02956	3.7
87.00900	1.3
89.02453	6.4
93.03474	0.8
95.01381	0.9
99.00897	1.0
99.04517	0.7
101.02453	9.6
106.93600	0.4
113.02459	5.7
119.03488	2.3
119.05000	0.5
121.06657	0.5
122.53673	0.4
125.02428	0.7
129.01933	0.5
131.03584	0.6
137.02480	3.1
137.09776	0.4
142.61972	0.4
147.02959	0.7
149.04588	0.5
161.04610	1.9
165.04047	2.5
165.07167	0.5
179.05667	0.5
209.06073	2.3
210.06494	1.5
211.06761	1.6
223.13420	4.1
267.06677	2.0
267.12500	1.4
267.15875	2.0
268.12433	0.5
283.15659	1.0
295.06213	2.1
415.11111	1.4
415.19464	0.8
415.23956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.4
59.01385	100.0
60.01717	1.2
61.63543	0.3
69.01965	0.3
69.26452	2.7
71.01386	3.4
72.99315	0.7
73.02963	1.5
73.15360	0.3
83.01411	0.5
85.02979	1.2
87.00843	0.4
89.02464	1.5
95.01399	0.4
96.95976	0.4
98.20599	0.6
101.02445	1.9
113.02451	1.9
119.03526	0.6
122.60504	0.3
125.06105	0.4
137.02542	0.3
137.94872	0.3
149.09793	0.9
151.00465	0.5
161.02501	0.8
161.04623	0.6
167.10840	0.9
169.06613	1.0
210.91342	1.1
211.07693	10.3
211.09756	1.3
212.07990	0.6
235.07785	1.3
263.16910	0.3
267.06754	1.1
295.06250	1.2
300.03265	0.4
355.12073	0.8
357.14835	0.6
373.22504	1.5
415.10736	1.3
415.19043	0.5
415.23709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39916	0.5
59.01385	100.0
60.01723	0.8
64.98512	0.5
66.45820	0.6
69.03441	0.5
69.25375	4.3
69.25780	1.2
71.01391	10.8
72.20416	0.6
72.99333	0.7
73.02961	9.1
77.04001	0.6
80.21027	0.6
83.01407	1.9
85.02970	1.9
87.00880	0.9
89.02456	5.4
93.03458	0.6
94.49804	0.5
95.01412	0.7
98.20678	0.9
101.02452	9.1
109.59568	0.6
113.02449	5.0
119.03537	1.1
121.06610	0.7
131.03580	0.8
137.02460	0.7
161.04611	1.5
165.04120	1.3
209.06157	1.5
210.06548	1.1
223.13481	1.7
225.11781	0.5
267.06580	3.9
267.16156	0.7
295.06076	4.3
415.10486	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	415.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25230	0.6
55.01896	0.9
57.03452	1.4
59.01385	100.0
60.01714	0.6
66.66370	0.6
69.44167	3.6
70.23661	0.6
71.01388	11.6
71.05060	0.9
73.02945	3.1
75.00879	1.8
83.01385	1.4
85.02958	4.2
87.00899	1.5
88.44779	0.6
89.02466	4.9
95.01416	1.0
98.20759	0.6
99.00912	1.6
101.02464	5.7
101.06106	1.0
102.86334	0.5
104.87141	0.6
113.02465	4.4
119.03524	1.4
121.02986	0.8
121.06617	2.5
128.06973	0.6
143.03548	0.7
145.03052	0.7
146.06134	1.2
154.55150	0.7
159.02792	0.6
161.04568	3.8
161.23366	0.7
165.04153	3.9
165.07103	15.6
166.07445	1.3
167.05060	4.6
167.08777	0.9
180.05798	0.8
191.05084	2.2
193.08826	0.7
208.05373	0.9
209.06082	76.7
210.06404	7.0
210.07875	0.6
211.07649	4.9
223.13397	2.8
235.03996	6.9
236.04317	0.8
253.05168	2.7
267.06662	5.8
267.12418	1.9
267.16049	1.4
279.11044	0.7
283.15454	1.4
295.06076	7.9
296.06558	1.2
307.06262	0.8
325.07175	1.8
415.10455	28.5
415.15460	2.3
415.19440	2.1
415.23746	1.8
416.11130	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	415.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65924	0.5
51.94218	0.5
55.01873	0.9
59.01385	100.0
60.01720	1.2
69.03487	0.6
69.25245	1.1
69.25576	5.2
71.01387	9.3
72.99303	0.6
73.02951	3.9
85.02956	3.0
85.49541	0.6
89.02460	4.7
89.53098	0.6
95.01392	0.8
99.00938	1.0
101.02454	6.9
113.02449	3.5
119.03548	1.3
131.26564	0.6
135.04553	0.9
143.03566	0.6
161.04543	2.9
163.04083	2.3
164.07036	0.5
171.51726	0.5
178.06371	2.6
179.32782	0.5
193.08696	4.2
193.12442	0.8
267.06827	0.8
267.16089	1.0
283.06241	1.0
283.15564	1.4
295.06183	1.1
296.06653	0.6
307.44080	0.6
311.05542	0.9
313.52200	0.6
327.21988	0.9
373.18448	1.1
415.10754	1.5
415.19730	2.2
415.23700	2.2
416.11014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07993	1.2
55.01876	2.3
57.03444	2.8
58.00579	3.7
59.01385	100.0
60.01709	1.1
65.50847	1.1
69.03448	2.0
69.43408	7.6
71.01388	51.4
71.05038	1.6
72.01714	1.3
72.99306	3.7
73.02558	2.1
73.02955	38.7
75.00864	3.0
75.84827	1.0
81.03453	1.7
83.01405	10.2
83.05039	1.2
85.02955	14.9
87.00898	4.9
87.04510	2.4
89.02451	26.2
95.01385	4.1
96.95980	1.3
98.19858	1.1
98.51112	1.0
99.00890	3.4
99.04490	2.6
101.01804	2.3
101.02451	39.9
101.03114	2.3
102.02791	1.5
111.00833	1.0
112.01637	1.5
113.02464	24.3
119.03514	10.1
125.02430	2.1
131.03526	1.7
135.04529	11.0
137.09709	1.3
138.09245	1.5
138.81357	1.1
139.09634	1.7
143.03456	3.2
149.04573	2.3
155.03571	1.2
160.83293	1.2
161.04547	5.5
163.04024	54.8
164.04320	3.1
165.04114	1.5
165.05605	3.1
166.71278	1.0
178.06363	50.4
179.05496	1.9
179.06902	2.3
181.05096	5.5
193.06927	1.8
193.08708	35.4
194.09076	2.5
195.10283	2.7
196.07388	5.1
205.05081	3.4
211.09772	13.3
220.07315	1.7
235.09691	1.6
238.08452	2.5
239.12764	1.6
253.10811	7.4
253.14522	1.0
253.18010	1.6
267.12219	1.6
267.15948	2.5
271.19272	2.4
283.11710	3.8
283.15460	5.2
337.13028	1.1
340.11667	4.5
355.13986	24.8
356.14532	2.4
356.25690	1.1
373.15042	52.3
374.15302	4.9
415.15500	12.2
415.24191	6.6
416.16263	2.0
437.00107	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	415.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06045	0.6
51.13639	0.6
55.01872	1.1
56.50127	0.6
56.91530	0.5
57.03431	1.7
59.01385	58.4
60.01711	1.0
65.00315	0.8
69.67138	3.2
71.01389	16.4
72.99311	1.3
73.02961	5.6
74.02470	1.4
75.00894	0.6
77.03971	4.1
79.01895	3.5
83.01392	3.2
85.02950	6.9
87.00851	1.3
87.04550	0.7
89.02016	0.7
89.02463	7.2
95.01392	1.9
99.00876	1.6
101.01803	1.0
101.02448	10.4
105.03444	0.8
113.02467	8.1
113.21892	0.5
117.03493	0.7
119.03498	3.1
119.05022	1.4
121.02985	2.9
123.04539	0.9
124.05310	3.8
129.01953	0.7
133.02957	3.0
134.03743	0.8
137.85335	0.6
143.04988	2.8
145.02974	4.7
147.03004	0.7
159.03001	1.6
161.04594	4.4
165.02005	2.9
167.08646	1.3
177.01944	1.4
180.05917	0.7
181.06628	3.1
193.06561	0.7
194.07295	0.7
195.08156	1.8
207.03067	0.8
209.06020	1.0
221.06070	0.7
223.07663	6.9
223.13472	0.6
237.05588	1.7
237.07748	1.1
238.06305	1.2
239.07130	1.0
239.16458	0.8
248.43903	0.7
253.05008	5.2
253.18044	0.6
263.07178	1.1
265.05078	8.8
266.05746	4.1
267.06631	67.3
268.06940	7.6
277.05078	1.9
279.06662	6.5
280.07025	0.8
283.15573	1.7
293.04605	1.8
295.06131	100.0
296.06436	9.5
298.04764	3.0
307.06125	9.6
308.06421	1.4
309.07559	1.0
325.03311	1.2
325.07196	26.0
326.07553	2.9
337.07230	1.9
339.08722	0.8
339.31134	0.6
355.08167	0.9
397.09204	1.2
415.10367	51.3
415.23309	16.5
416.10727	6.5
416.23651	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	415.1612
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.01981	0.8
54.98641	0.8
55.01886	1.8
56.43678	0.9
57.03455	0.9
58.00597	2.4
59.01384	100.0
60.01718	1.5
63.82692	0.8
69.03471	1.5
71.01387	63.6
72.99315	3.3
73.02954	20.4
73.81148	0.9
83.01405	3.1
85.02964	8.8
87.00894	2.5
89.02454	97.9
90.02798	1.9
95.01402	2.3
97.02972	1.9
97.63152	0.8
98.20618	1.8
99.00887	26.8
101.02453	39.5
107.11395	0.9
113.02452	13.7
119.03496	8.6
125.02485	5.2
127.43014	0.9
131.03528	17.2
143.03506	1.7
147.04544	1.5
148.01714	1.8
149.04564	53.2
150.04930	1.6
151.35292	0.8
153.99142	0.8
161.04596	6.8
163.00336	3.0
167.10823	2.2
179.05588	4.2
181.01414	2.5
191.03848	1.3
191.05617	13.1
191.07191	1.7
192.05998	1.0
211.09738	2.1
217.05045	1.4
219.02962	1.2
221.06741	1.6
228.55524	0.8
229.02170	1.1
234.05363	6.3
235.06084	2.9
251.07837	2.5
253.05110	1.0
283.11887	3.6
283.15253	1.4
326.76172	1.0
373.15112	3.7
415.11591	9.6
415.16504	4.5
416.16473	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1037
Annotation	chrysin 8-C-glucoside
Peak:m/z	Relative Intensity
57.03433	2.2
59.01385	11.6
61.38349	0.7
62.12207	0.7
69.42695	6.0
71.01394	5.0
72.26809	0.7
73.02972	0.8
75.00853	1.0
85.02962	1.9
87.00881	2.4
93.03460	1.8
98.02438	0.7
99.04461	0.9
101.02435	1.8
102.85284	0.8
105.03465	2.3
108.02209	0.8
109.02953	1.3
117.03484	8.9
119.04945	1.0
121.02945	3.7
123.08183	1.2
132.42424	0.8
137.06042	0.8
139.07608	1.1
145.02962	1.4
147.04475	3.0
148.01605	3.0
149.02460	4.3
152.01154	0.9
153.01898	1.2
153.89519	0.8
163.00313	1.1
163.07651	0.8
167.03372	1.4
175.04021	1.5
180.05916	0.9
181.01401	1.4
191.03450	1.2
191.07114	1.4
203.05595	1.3
208.05331	1.2
209.51852	0.9
217.04977	1.9
221.06013	1.1
222.06807	1.9
223.03940	0.9
223.07457	0.9
224.04654	1.1
234.05331	4.7
235.06178	9.6
236.06473	1.1
239.07108	1.7
248.70102	0.9
252.04285	3.9
253.04984	3.2
265.04929	2.5
267.06638	100.0
268.07019	9.0
277.05099	7.8
282.14307	1.0
283.14337	1.5
295.06146	63.7
296.06458	5.4
307.06046	2.9
325.06985	2.3
415.10281	54.7
416.10608	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	415.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50467	0.5
57.03453	0.7
59.01387	7.6
65.00365	0.5
65.34400	0.5
69.47437	3.4
71.01385	3.3
73.02966	0.8
75.00871	1.2
77.03973	8.1
79.01889	3.5
85.02955	1.4
89.02452	0.8
93.03486	0.9
98.20724	0.8
99.00847	0.7
101.02446	1.2
101.03984	0.9
105.03481	2.6
105.46097	0.4
107.01398	1.0
113.02467	1.6
119.03523	0.6
119.05021	4.4
121.02966	6.4
123.04578	0.6
129.02014	0.5
135.04509	0.4
143.05037	5.5
145.02960	4.9
149.02454	6.4
151.11832	0.4
153.07164	0.5
157.06534	0.6
157.46155	0.4
161.02475	1.2
162.03200	0.5
165.02000	1.0
165.04037	0.6
165.07053	0.6
167.08803	0.5
175.17073	0.5
177.02629	0.5
177.04045	3.3
179.03535	0.8
180.05833	1.1
181.06619	1.3
187.04042	1.7
195.08118	2.3
197.06096	0.8
199.07683	1.4
208.05353	0.7
209.06056	0.9
211.07568	0.6
221.06015	0.5
223.07663	4.9
223.13303	0.5
225.05612	0.8
227.07213	1.0
237.05507	0.4
237.07657	1.1
239.07121	1.2
249.05548	0.5
251.07014	0.5
252.04298	0.7
253.05106	2.2
265.05087	1.2
266.05722	0.8
267.06628	84.4
267.15854	1.1
268.06958	9.0
277.05093	3.3
278.54514	0.5
279.06900	0.6
283.15637	0.8
293.04684	1.0
295.06119	100.0
296.06497	9.4
298.05032	0.9
307.06119	2.4
308.06610	0.5
325.07144	2.6
329.82858	0.5
341.75320	0.5
344.35904	0.4
415.10342	62.4
416.10718	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	415.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32805	1.0
56.05056	0.9
57.03450	2.5
59.01387	26.4
59.02413	1.0
61.98833	6.0
69.03490	1.0
69.48953	1.7
69.49364	4.6
71.01379	5.0
72.99302	1.0
73.02977	1.6
81.03469	4.3
83.01402	1.9
85.02965	6.3
89.02448	2.6
97.06583	1.0
98.20602	1.8
99.04527	1.1
101.02470	3.6
107.01439	1.0
113.02457	2.6
121.02972	9.8
123.04543	27.0
125.02495	6.8
137.02513	1.0
149.02423	1.6
150.06868	2.5
151.00346	1.8
151.03998	2.0
151.07576	1.5
161.04567	1.3
163.03947	1.4
165.05574	1.2
166.64717	0.9
167.03511	100.0
168.03853	4.9
178.73457	1.0
191.03668	1.4
193.08737	2.3
234.05406	1.8
283.12228	1.7
283.15475	18.2
284.15829	2.0
341.47379	1.0
360.25372	1.0
371.09976	1.9
415.11813	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	415.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89513	0.2
55.01869	0.8
56.80131	0.3
57.03453	0.7
59.01384	13.0
60.01748	0.3
71.01384	5.5
71.31991	0.5
72.01723	0.3
72.02132	0.3
72.99313	0.3
73.02949	1.7
75.00872	0.5
83.01381	0.5
85.02950	2.0
87.00890	0.8
89.02453	2.4
95.01407	0.3
99.00890	1.2
101.02454	3.3
103.87086	0.3
113.02468	2.9
114.02819	0.4
115.04037	0.3
115.92016	0.3
119.03535	0.9
121.06610	0.4
129.01987	0.4
135.08218	0.3
137.09708	0.8
141.07143	0.5
143.03482	0.7
147.03011	1.2
152.07141	0.4
161.04593	1.9
165.07104	21.3
166.07436	1.3
167.05040	7.3
168.05313	0.6
180.05855	1.3
181.06790	0.3
191.05058	2.6
197.13525	0.3
205.16066	0.6
208.05305	0.7
209.06091	100.0
210.06435	8.9
211.07753	0.3
221.15633	0.3
223.07669	0.4
223.13422	0.5
231.13972	0.7
235.04024	8.9
236.04396	0.9
251.07082	0.3
253.05128	3.5
254.05438	0.5
264.07779	0.3
265.04953	0.9
267.06613	5.7
267.12885	0.6
267.15997	6.7
268.06967	0.8
268.16388	0.9
277.05096	0.4
279.06665	0.4
283.12051	0.5
283.15509	1.1
295.06113	9.7
296.06369	0.5
307.06128	0.8
325.07178	2.3
326.07678	0.3
356.08936	0.6
415.10376	42.8
415.19580	2.3
415.23572	1.1
416.10690	5.8
416.19550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71720	1.1
57.03455	1.3
57.97565	32.7
58.80053	1.0
59.01383	13.1
61.98835	3.0
71.01386	4.6
71.54913	1.5
73.02966	1.4
83.51756	1.2
84.92753	1.3
85.02929	1.3
89.02453	2.9
96.60096	1.3
99.28161	1.1
99.35653	1.2
101.02460	1.6
107.67360	1.1
113.02419	1.4
119.49197	1.1
121.02956	2.6
123.04568	1.4
131.15919	1.3
131.54448	1.3
132.02144	2.3
133.02997	1.5
140.97688	10.6
144.04634	1.7
160.04074	6.8
160.05215	1.3
161.02400	1.4
161.04614	1.5
163.99405	7.5
165.01927	2.2
175.02766	21.1
179.01732	4.8
190.05055	5.6
201.05548	1.6
202.01472	11.0
204.98329	2.6
206.99991	3.8
215.02835	1.2
215.04596	7.1
222.02287	4.5
231.99382	3.2
232.97929	5.3
234.01079	4.4
248.00130	3.6
249.03404	100.0
250.03731	6.5
267.06564	2.5
275.01364	7.1
282.05328	2.5
283.85400	1.3
293.06915	2.3
295.06067	3.4
309.00241	1.3
336.07474	2.9
341.23169	1.5
344.91135	1.4
351.09872	35.0
352.10233	4.9
355.04745	1.2
415.04291	2.7
415.09442	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	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01702	2.1
66.58482	1.3
70.03860	5.7
95.69057	1.4
119.96684	1.3
191.53882	1.3
245.15329	1.6
269.84509	1.3
328.31375	1.5
369.27856	3.9
389.55252	1.6
395.26086	6.7
413.26868	12.6
414.27313	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	413.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10021	2.1
59.01384	100.0
60.01725	2.2
69.88410	7.2
69.88819	4.7
98.19804	2.3
99.91682	2.4
133.24742	2.1
154.22765	2.4
186.53093	2.3
196.07034	2.4
413.26453	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	414.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73162	0.4
57.03463	0.5
59.01389	4.3
61.98837	16.5
68.53817	0.4
71.01389	10.2
71.01785	0.6
71.53763	0.4
71.54187	0.4
72.99346	0.8
73.02948	0.9
75.00890	0.8
85.02960	1.1
86.02492	0.8
86.62369	0.4
87.00891	1.0
88.04050	1.1
89.02450	2.3
91.01900	0.9
93.03467	7.7
94.02992	0.6
96.96033	1.1
99.00886	0.6
101.02455	1.6
108.02204	0.6
109.02978	0.4
111.21543	0.4
113.02477	1.6
115.00391	8.8
118.03004	7.8
119.03487	0.9
119.05029	0.4
120.04558	0.5
121.02922	2.5
121.27943	0.4
122.03728	0.6
123.04507	0.6
132.03079	0.8
134.03716	0.6
136.04059	100.0
137.02472	4.2
137.04419	3.8
146.06126	1.5
149.06114	0.6
151.03967	0.5
161.02397	0.4
161.04617	0.5
162.05692	0.6
163.04083	0.7
164.03442	0.6
164.07184	5.7
165.01932	0.6
165.05589	0.5
178.02802	0.7
180.00606	0.3
182.79736	0.4
190.05051	0.5
190.81621	0.5
193.05106	1.8
193.07419	0.4
205.08768	0.8
208.06168	8.8
208.09781	1.2
219.95418	0.4
234.04089	2.3
244.08154	0.4
249.06221	1.5
252.05170	12.5
253.05412	1.0
339.07260	0.5
385.11490	0.4
396.09467	1.1
414.10458	25.8
415.11514	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38884	0.6
58.22475	0.7
59.01387	100.0
59.61453	0.6
60.01727	1.1
66.00950	0.7
70.91802	1.2
71.01389	3.9
71.34890	0.6
73.02970	2.3
83.01397	1.1
85.02973	2.4
85.69633	0.6
89.02474	2.5
95.01420	0.7
101.02454	3.0
106.44174	0.6
113.02488	1.9
119.96530	0.6
127.04039	1.6
137.02451	1.4
161.04562	1.5
164.01215	0.8
279.93445	0.6
371.20874	1.3
380.09222	0.8
385.12802	0.6
395.11194	3.6
396.11636	0.7
413.12854	2.1
413.21692	1.3
414.12656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46404	0.4
55.01871	0.6
59.01385	100.0
60.01725	0.9
66.85006	0.4
69.03457	0.6
69.45373	1.2
69.45799	1.5
71.01391	6.6
73.02943	2.1
83.01398	0.8
85.02948	2.9
87.00907	0.5
89.02435	2.5
92.32365	0.4
95.01421	0.4
96.96066	0.5
99.00895	0.8
99.04562	0.4
101.02446	5.4
111.00802	0.4
113.02460	3.7
119.03550	1.1
119.05042	0.5
119.48366	0.5
124.05312	0.9
148.20029	0.4
153.09203	0.5
161.04616	1.2
237.15054	0.7
251.16641	0.9
281.13882	2.1
371.20911	1.0
379.63361	0.4
395.10678	1.1
412.71078	0.7
413.22165	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	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60362	0.7
52.56915	0.6
59.01387	100.0
60.01718	1.5
62.75781	0.6
71.01389	8.8
73.02953	1.9
76.30629	0.6
83.01434	1.0
85.02972	4.4
87.00889	0.7
89.02462	1.4
99.00907	1.5
101.02452	5.7
103.01505	0.7
113.02462	3.6
134.92058	0.6
159.03052	1.0
161.04613	2.8
196.68642	0.6
209.15512	1.4
353.19839	2.8
354.21017	0.6
371.20728	9.5
372.20868	1.1
413.21964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
59.01384	100.0
60.01703	1.7
65.42210	1.2
65.42581	1.3
70.01740	6.0
71.01389	7.4
73.02956	3.6
75.00870	2.3
83.01392	1.6
83.05029	1.8
85.02962	3.1
87.00874	1.6
89.02451	4.8
96.95986	1.8
99.04504	2.4
101.02444	5.3
113.02464	5.5
119.03559	1.7
121.02966	1.8
137.09688	1.3
149.04497	1.3
149.06123	1.4
152.31047	1.3
161.02434	2.6
165.07117	3.0
178.02721	4.1
179.03477	7.5
185.13364	2.1
194.05797	6.5
203.14369	3.2
205.05124	2.0
207.13905	2.0
209.06097	11.0
209.08173	6.0
221.15434	1.8
265.14471	5.0
279.12323	2.0
281.13953	3.7
293.77524	1.3
308.03436	1.5
323.05542	1.6
398.12128	1.9
413.13159	2.6
413.17914	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00532	0.5
53.05861	0.5
55.75698	0.4
59.01385	100.0
60.01726	1.2
60.92511	0.5
71.01405	1.5
72.99316	0.7
73.02957	0.8
85.02947	0.6
89.02454	0.8
92.13560	0.5
101.02456	0.9
104.35679	0.5
121.21875	0.4
133.97856	0.6
161.04546	0.6
165.02786	0.5
166.17169	0.6
218.37082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15783	0.5
55.01884	0.7
57.03457	5.4
59.01385	9.3
60.99300	0.7
61.96663	0.5
61.98825	1.3
69.03465	1.2
69.42148	2.7
69.50127	0.4
71.01389	3.9
71.05042	0.8
72.99317	0.9
73.02962	1.3
75.00894	2.5
75.01251	0.5
81.03470	0.6
83.01403	0.8
83.05036	5.9
85.02951	3.4
85.98026	0.5
87.00876	7.2
88.98810	3.1
89.02449	1.6
93.03442	1.0
95.01415	0.6
95.05030	2.1
97.02959	1.0
97.06596	0.4
98.02535	0.4
99.00899	1.4
99.04526	1.5
101.02450	1.6
101.06116	0.7
102.19840	0.5
103.00377	0.7
106.04199	0.6
107.05030	0.5
107.39015	0.4
109.02954	0.6
109.06654	1.0
111.04517	1.4
111.08211	2.6
113.02463	3.4
113.06095	0.6
114.32210	0.5
117.03452	0.7
119.05039	4.4
121.06620	4.7
122.02494	1.9
123.08176	17.2
124.05282	1.3
124.08494	1.0
128.03523	0.4
129.07118	0.6
131.03505	0.9
132.02187	0.6
134.03761	0.7
135.08185	1.1
136.04030	1.4
137.06108	1.3
137.09708	2.7
138.06926	0.8
139.07681	4.1
145.02979	2.7
145.10248	1.1
149.04613	0.9
149.06049	0.9
149.90819	0.5
151.07654	1.9
151.32434	0.4
153.09177	2.2
160.01680	2.4
161.02318	0.4
163.04031	3.7
164.08408	5.1
165.09126	1.2
169.08800	0.8
169.10239	1.5
171.11807	13.4
172.12204	0.8
175.03989	3.8
179.07144	0.7
189.12854	4.5
191.05502	0.8
193.05029	1.5
193.08751	0.9
195.05109	1.6
195.10242	0.5
201.12900	2.7
207.13899	2.1
233.04591	0.9
237.14995	9.3
238.15103	0.8
249.06198	2.1
251.13094	0.7
266.43024	0.5
267.07251	9.7
281.13974	100.0
282.14310	9.1
295.11832	1.2
395.21356	0.6
413.10736	2.6
413.18887	7.1
414.14334	1.0
414.19040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
57.03453	1.8
58.00612	1.0
59.01385	24.8
61.98841	2.5
68.99823	1.7
69.03462	1.6
70.03268	2.7
71.01389	44.7
72.99310	3.2
73.02956	8.8
75.00874	9.8
75.08656	0.7
81.03464	1.1
83.01407	2.4
83.05012	0.8
85.02965	15.7
85.04955	0.8
87.00880	15.6
89.02454	25.3
93.03445	1.6
95.01374	4.2
96.00940	1.3
96.96047	1.2
99.00892	8.6
101.02441	12.8
102.03246	3.1
103.00359	1.6
103.04050	2.1
113.02464	18.8
114.02789	1.2
115.00423	1.3
115.04061	0.9
117.01971	1.2
117.05589	4.4
119.03490	3.1
129.01956	1.9
130.08748	2.7
131.03566	1.2
131.09126	1.1
133.05127	0.8
143.03564	2.1
149.04567	4.1
152.91789	1.7
161.04567	3.7
163.06139	100.0
164.06448	2.4
175.02579	1.5
179.05685	1.8
191.05678	0.9
204.12411	0.9
219.14339	0.8
231.05173	1.3
231.19893	0.8
249.06172	70.1
250.06540	4.5
251.11382	5.0
267.07202	5.4
272.60712	0.8
281.12390	6.1
293.08643	0.9
300.27762	0.8
339.09299	1.7
340.62576	0.7
354.05521	1.2
413.12469	29.7
413.16852	7.4
414.13275	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	413.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68478	1.6
55.01877	4.3
57.03448	4.2
58.00595	3.5
59.01386	79.6
60.01708	1.7
61.98832	6.3
69.03474	4.6
71.01390	90.3
72.01705	1.8
72.99308	4.5
73.02958	27.9
75.00876	6.6
80.37528	1.8
83.01389	11.9
85.02962	30.0
86.45485	1.4
87.00893	7.3
87.04533	2.5
89.02455	78.5
93.78755	1.7
95.01382	5.0
96.96028	37.1
97.02957	8.9
98.02485	1.8
99.00886	28.7
101.02454	72.7
108.02187	7.5
109.02979	7.5
111.00871	1.8
113.02469	30.9
114.02755	2.0
115.00324	1.6
115.04026	7.2
117.05621	1.6
119.03517	12.3
119.07160	6.9
123.04486	1.6
125.02473	11.2
130.08743	2.4
131.03514	12.5
135.96921	1.5
136.04036	4.6
143.03485	6.2
145.50204	1.5
149.04570	34.7
152.01169	2.8
153.01956	5.7
159.02982	2.6
161.04576	28.1
163.06129	8.9
164.98697	3.1
172.31206	1.5
179.05647	4.7
182.99786	4.5
189.05548	2.1
191.05585	9.3
196.97696	6.5
206.99683	3.3
208.97711	19.6
221.06618	2.3
224.00029	8.6
224.97182	3.1
225.00835	1.7
233.06683	10.3
234.99252	1.7
236.97258	2.0
238.98801	2.0
249.06142	5.1
249.97897	4.0
250.98724	28.3
251.07684	2.4
251.08702	1.8
251.11412	20.2
259.44232	1.9
281.12445	47.2
282.12833	4.4
290.98242	1.5
293.08835	5.0
315.07333	4.3
323.74255	1.7
353.01907	49.9
354.02133	4.5
362.05753	1.5
397.01050	2.0
413.04471	10.4
413.16721	100.0
414.16949	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	413.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67329	0.1
59.01386	2.0
69.77293	0.7
71.01392	0.5
73.02956	0.2
83.01384	0.1
85.02954	0.2
89.02434	0.2
91.73538	0.1
96.79613	0.1
99.44592	0.1
101.02471	0.4
113.02470	0.2
141.07146	0.6
165.07111	19.1
166.07458	1.2
167.05032	6.2
168.05363	0.5
170.78564	0.2
208.05238	0.1
209.06090	100.0
210.06421	8.2
210.08479	0.2
225.39328	0.1
230.68657	0.1
413.21802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.2
58.00566	1.3
59.01382	27.4
61.98788	1.3
68.99796	1.4
69.03428	1.6
70.06516	0.9
71.01390	44.4
72.99269	3.4
73.02960	10.5
74.66515	0.9
75.00881	9.3
83.01336	3.5
85.02961	16.8
87.00881	17.2
89.02456	29.7
89.40828	0.9
93.03458	1.0
95.01330	3.4
96.00864	1.5
96.95982	1.2
97.02907	1.3
99.00874	8.2
101.02451	13.3
102.03175	3.8
103.03946	3.3
111.00791	1.2
111.74595	0.9
113.02454	19.0
117.01909	2.2
117.05499	3.4
119.03411	4.0
119.07052	1.0
125.02366	2.2
130.08646	1.6
131.03441	1.4
136.03934	1.2
143.03456	1.4
149.04564	4.9
159.02811	0.9
160.80482	1.0
161.04608	5.3
161.05663	1.3
163.06143	100.0
163.07416	3.3
164.06311	2.8
179.05502	1.9
219.14201	1.1
221.06479	1.1
249.06181	66.9
250.06235	4.1
250.98560	1.2
251.11299	5.4
265.01740	1.0
267.07291	7.1
281.12466	8.4
293.08487	1.1
339.09244	1.1
369.18515	1.5
413.12469	32.1
413.16678	5.3
414.12524	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	413.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28848	2.0
59.01385	13.1
65.03965	3.3
69.03454	18.4
70.91721	6.1
71.01387	4.7
75.00871	3.7
79.05139	2.1
79.05521	11.8
80.62268	2.1
81.03457	2.4
81.44581	1.9
83.01377	5.4
83.05018	2.2
93.03472	5.1
95.01392	17.1
101.06091	30.2
107.05042	56.0
108.02186	3.6
108.05422	2.3
109.02962	4.9
117.76711	2.1
121.02985	3.2
123.04529	7.1
124.01637	7.0
125.02420	2.9
127.04010	15.0
133.02983	3.3
135.04536	30.6
136.01660	9.8
137.02429	8.5
137.06122	2.9
149.02396	4.6
150.03273	19.1
151.03954	7.1
152.04784	7.9
157.06616	16.7
158.03760	2.4
159.04581	6.2
160.05287	3.2
161.02448	7.4
165.05579	7.2
171.04535	2.5
172.05363	2.1
173.06136	5.5
175.07664	100.0
176.07976	7.9
179.03502	7.4
185.05989	3.9
187.03981	3.1
190.06389	2.5
193.05055	4.8
197.09668	6.3
199.04030	4.6
201.05602	25.7
202.06203	3.5
203.07164	16.2
209.06181	3.6
211.03938	2.8
211.07626	3.6
212.08093	2.6
213.09193	8.9
215.07156	3.0
215.12914	3.4
217.05078	3.4
217.08723	4.6
218.09320	3.7
219.06636	8.4
225.05536	5.2
225.09277	7.5
227.03548	2.5
229.04971	6.3
229.08713	2.9
237.09192	6.2
239.10806	3.7
241.08749	32.3
245.08311	3.8
246.08920	7.6
251.10851	2.9
253.08714	8.6
254.09500	5.9
255.10228	4.1
257.08005	2.2
259.09793	37.1
260.09982	4.6
261.11234	6.0
263.07483	2.6
263.10782	7.6
265.08701	8.1
265.12305	4.7
267.06616	11.9
267.10287	4.5
268.07083	3.0
269.04483	3.3
277.08609	3.7
279.07016	2.1
279.10257	7.6
280.07309	2.2
281.04984	2.9
281.08142	12.7
281.11371	2.5
282.08929	6.6
283.09760	8.0
285.07642	10.6
291.06589	4.6
293.08408	5.5
293.11841	13.3
294.09048	3.5
295.09509	5.4
296.10388	5.5
297.11121	4.5
306.06000	2.4
306.08960	12.5
307.09787	47.3
308.10153	7.2
309.11295	26.3
310.11877	3.0
319.09848	8.1
321.11371	14.1
321.85535	2.4
322.08304	2.7
323.09174	4.9
324.10059	4.2
325.14587	3.2
335.09250	3.1
337.10828	56.3
338.11169	6.6
339.12411	45.2
340.09186	3.4
340.12839	4.1
341.13855	24.1
351.12372	9.7
355.11792	6.8
365.10489	2.8
369.13455	91.6
370.13651	13.5
381.09540	5.7
383.10770	3.4
398.13562	9.1
413.16220	66.2
413.24887	3.4
414.16083	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	413.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34785	1.1
57.03438	3.3
58.37375	1.2
59.01387	9.4
61.11756	1.0
61.98818	2.1
70.86356	2.1
71.01389	1.7
73.70596	1.1
78.92747	1.0
79.05546	3.4
81.03472	2.3
83.01389	4.4
83.16574	1.2
85.02931	1.5
87.60097	1.3
93.03476	1.3
95.01398	1.5
95.05010	1.2
96.96000	1.1
98.74249	1.1
99.00908	1.1
105.03505	1.3
107.05042	23.6
108.02205	1.6
110.25877	1.3
111.00890	20.3
117.03468	2.1
121.03020	1.3
123.04474	1.9
125.02463	27.0
127.04028	2.3
131.08682	2.0
133.02913	3.3
133.06570	2.0
135.00894	2.1
135.04514	4.4
137.02448	2.0
139.00368	5.8
140.01140	1.8
148.01607	1.8
149.05984	1.5
150.03197	4.4
151.03978	2.5
153.01953	4.4
155.03445	1.9
157.06596	14.4
159.04504	3.6
160.05260	2.3
161.02432	4.2
170.02647	1.4
171.03038	11.6
175.07645	45.6
176.07951	3.0
177.01886	1.5
178.02731	12.6
179.03493	2.5
193.05086	6.2
199.07651	2.0
201.05585	29.4
202.06010	3.1
211.07713	2.9
213.09248	16.3
219.06625	100.0
220.06915	6.3
225.09122	5.6
228.07800	1.2
239.07236	1.2
239.10675	2.0
241.05110	2.0
241.08714	3.6
243.06618	7.5
243.10359	1.5
255.06601	3.0
256.07483	7.7
257.08170	6.5
259.09732	4.6
262.04852	1.2
265.08624	1.5
267.06641	1.3
269.08212	21.1
270.08499	2.0
283.09775	45.6
284.06873	20.0
284.10086	5.1
285.07349	4.8
286.08340	2.3
287.09274	39.0
288.06573	1.6
288.09604	4.5
296.06662	1.4
319.09674	2.1
335.08777	1.3
337.10739	2.3
363.08725	2.4
365.09607	1.6
381.09750	2.3
395.06509	2.3
395.11337	29.7
396.11545	3.8
413.07452	2.1
413.12256	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	413.1246
Annotation	Schisantherin Q
Peak:m/z	Relative Intensity
56.65992	4.2
59.01382	59.0
60.00755	3.8
65.00332	5.9
69.03473	28.0
70.02946	17.6
71.01379	7.4
79.05556	9.8
83.01398	8.0
89.34020	3.9
93.03458	5.9
95.01376	16.3
96.51314	3.5
99.04498	4.2
101.06098	29.5
105.03478	8.2
107.05047	60.7
109.02952	4.0
121.02915	5.5
122.03799	5.6
123.04506	7.9
124.01674	6.1
127.04025	24.3
133.02977	6.7
135.04539	41.5
149.02446	7.5
150.02773	8.0
151.02831	4.2
151.03990	6.3
152.04675	5.3
157.06593	18.9
159.04462	4.9
161.02452	11.7
167.03487	5.6
173.05975	5.3
175.07658	100.0
176.07968	7.3
178.02560	4.1
179.03441	6.3
197.06096	4.7
197.09755	6.0
201.05563	17.5
213.09128	12.8
214.06358	5.0
217.72882	4.2
225.09239	6.5
229.05144	7.0
241.08713	34.8
249.09219	6.9
253.08636	7.6
254.09250	4.4
257.08249	6.0
259.09717	39.7
260.10260	4.6
263.10596	6.3
265.08701	9.4
265.12006	5.1
267.06757	9.9
267.10110	5.7
279.10080	5.8
281.08157	11.3
281.11649	6.2
282.08871	9.2
283.09628	6.5
284.06998	5.4
285.07709	8.9
289.08472	4.1
291.10324	6.1
293.08304	9.2
293.11838	9.9
294.08905	11.7
295.09567	6.3
296.10391	7.8
306.08929	8.8
307.09747	54.4
308.09958	5.8
309.11072	32.9
310.11746	7.9
319.09653	7.3
321.11469	23.0
322.08463	5.0
323.09412	5.5
328.08014	4.2
337.10825	83.0
338.11288	8.5
339.12350	44.3
340.12592	5.1
341.13855	26.6
342.13968	5.3
343.11005	9.0
351.12286	10.4
353.10257	8.4
354.10898	4.8
369.13422	84.1
370.13690	14.5
381.09674	4.7
413.15063	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
57.03196	1.4
57.03446	7.2
58.00618	0.8
59.01094	0.7
59.01382	21.8
60.99340	0.9
65.04050	0.8
67.01940	1.5
68.99840	1.3
69.03484	1.5
69.72818	1.4
69.73220	3.2
71.01388	20.4
71.05064	1.0
72.98568	0.7
72.99315	4.4
73.02982	2.9
75.00877	14.9
77.05807	0.7
82.03057	1.2
83.01417	1.1
83.05031	7.0
85.02958	22.6
87.00875	12.1
88.98808	4.4
89.02465	7.3
89.02930	0.7
92.13106	0.9
93.03501	2.0
94.51811	0.7
95.01402	5.8
95.05092	3.0
98.20022	1.4
99.00886	8.5
99.04582	1.6
101.02449	1.1
103.00410	2.6
109.00376	0.7
109.06611	0.9
111.00934	0.9
111.04579	2.1
111.08170	1.8
113.02459	28.4
114.02834	1.1
115.00410	1.1
117.02008	2.3
117.03532	3.0
119.05034	39.1
120.05382	1.5
121.06640	4.7
122.02480	0.9
123.08169	16.4
124.05312	0.9
124.08559	0.7
129.01993	2.5
131.03531	1.2
135.08188	1.0
137.06160	0.8
137.09755	1.4
139.07689	2.9
145.02966	16.6
145.10265	1.2
149.04630	2.4
151.07663	1.0
153.09248	1.7
157.06482	0.8
163.04024	36.6
164.04486	1.1
164.08484	3.3
169.08708	0.8
169.10226	0.9
171.11792	11.0
172.02116	0.7
172.12187	0.9
175.02496	3.0
175.03955	1.6
179.14384	0.9
189.12833	3.5
193.08818	0.9
201.12779	2.3
205.07198	0.8
207.05147	1.4
207.13936	3.6
231.05283	1.3
237.07700	3.3
237.14920	9.8
238.15350	0.8
249.06160	22.6
250.06628	1.3
267.07230	100.0
268.07544	5.9
281.13956	96.4
282.14294	7.8
351.10788	0.8
369.11646	1.0
413.10776	37.1
413.18839	5.2
414.11111	3.8
414.18488	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	413.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	8.6
61.98820	2.2
71.05022	6.8
74.96179	6.1
79.71667	1.7
81.03458	2.1
81.15929	1.8
95.01379	2.4
96.09928	1.7
96.95993	3.1
99.92594	6.6
107.05064	5.3
112.41203	1.7
115.92076	2.9
116.92857	17.0
119.05018	2.8
121.02972	3.5
122.03661	1.6
123.00901	6.5
135.04550	6.5
136.01607	2.2
137.02478	6.3
147.04503	4.5
149.06145	2.8
157.06621	2.7
159.04491	1.7
159.22589	1.8
161.02519	3.3
165.01987	2.4
175.07690	5.9
177.01790	2.1
179.03543	3.3
187.07654	3.5
192.07748	1.9
201.05661	3.0
207.10269	45.0
208.10576	3.1
219.06752	2.4
223.07715	3.9
225.09236	6.4
226.09912	5.1
227.10783	1.7
233.11932	4.7
235.07744	3.2
237.09209	41.7
238.09933	11.5
239.10684	4.5
241.08536	2.8
241.12334	10.6
241.19005	2.1
252.07872	2.7
253.12369	21.9
254.12694	2.9
259.09741	4.5
265.08698	1.7
278.13211	2.7
279.13797	3.8
281.20999	1.7
283.09790	26.7
293.15491	43.9
294.15741	4.3
295.13620	2.3
295.17050	3.1
307.16974	2.4
309.14963	18.9
310.15222	2.5
311.16556	100.0
312.16965	11.2
325.14581	7.7
352.00491	2.8
355.15512	89.3
356.15750	14.2
366.02106	4.4
369.12424	31.5
370.12634	4.9
395.02176	2.3
413.03445	2.6
413.11374	64.7
413.16296	10.5
414.11502	7.6
414.16418	4.1
427.01514	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82744	0.8
57.03445	1.9
59.01385	100.0
60.01693	1.1
61.98829	3.4
64.48293	0.9
79.05524	0.9
81.03480	1.1
82.96121	0.9
83.01379	1.2
83.02684	0.9
90.03859	0.9
93.03471	1.0
107.05027	6.6
111.00860	1.9
117.03495	0.9
119.81195	1.0
121.02957	2.1
123.00920	1.3
125.02442	9.8
129.64954	0.9
133.02988	3.4
134.03288	1.0
135.04541	3.0
136.01688	1.6
136.04849	1.3
139.00400	1.0
157.06590	3.1
158.06873	1.1
159.04536	1.0
161.02446	26.1
162.02800	15.2
167.03642	1.4
168.22971	0.9
171.02954	2.1
173.06094	1.0
175.07668	9.4
176.04776	4.6
176.07936	2.0
177.01973	1.3
177.05148	3.2
178.02682	1.9
179.03360	1.3
201.05566	5.1
213.09248	2.4
219.06606	14.5
225.09207	1.0
239.10783	1.0
241.08603	0.9
256.07303	1.1
259.09955	1.0
269.08282	2.2
283.09741	16.5
284.03439	1.0
284.06940	3.3
287.09225	4.6
306.04959	1.0
310.04538	1.6
312.02536	1.1
315.08636	1.8
324.05923	2.4
327.05051	4.6
337.10706	1.2
338.07767	1.2
339.08310	2.6
340.09167	1.6
354.10651	9.8
364.09012	2.9
381.09866	2.6
382.10068	7.6
394.13843	4.4
395.11249	5.2
397.12393	4.3
412.14841	43.8
413.12454	3.3
413.16071	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	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
57.03196	1.4
57.03446	7.2
58.00618	0.8
59.01094	0.7
59.01382	21.8
60.99340	0.9
65.04050	0.8
67.01940	1.5
68.99840	1.3
69.03484	1.5
69.72818	1.4
69.73220	3.2
71.01388	20.4
71.05064	1.0
72.98568	0.7
72.99315	4.4
73.02982	2.9
75.00877	14.9
77.05807	0.7
82.03057	1.2
83.01417	1.1
83.05031	7.0
85.02958	22.6
87.00875	12.1
88.98808	4.4
89.02465	7.3
89.02930	0.7
92.13106	0.9
93.03501	2.0
94.51811	0.7
95.01402	5.8
95.05092	3.0
98.20022	1.4
99.00886	8.5
99.04582	1.6
101.02449	1.1
103.00410	2.6
109.00376	0.7
109.06611	0.9
111.00934	0.9
111.04579	2.1
111.08170	1.8
113.02459	28.4
114.02834	1.1
115.00410	1.1
117.02008	2.3
117.03532	3.0
119.05034	39.1
120.05382	1.5
121.06640	4.7
122.02480	0.9
123.08169	16.4
124.05312	0.9
124.08559	0.7
129.01993	2.5
131.03531	1.2
135.08188	1.0
137.06160	0.8
137.09755	1.4
139.07689	2.9
145.02966	16.6
145.10265	1.2
149.04630	2.4
151.07663	1.0
153.09248	1.7
157.06482	0.8
163.04024	36.6
164.04486	1.1
164.08484	3.3
169.08708	0.8
169.10226	0.9
171.11792	11.0
172.02116	0.7
172.12187	0.9
175.02496	3.0
175.03955	1.6
179.14384	0.9
189.12833	3.5
193.08818	0.9
201.12779	2.3
205.07198	0.8
207.05147	1.4
207.13936	3.6
231.05283	1.3
237.07700	3.3
237.14920	9.8
238.15350	0.8
249.06160	22.6
250.06628	1.3
267.07230	100.0
268.07544	5.9
281.13956	96.4
282.14294	7.8
351.10788	0.8
369.11646	1.0
413.10776	37.1
413.18839	5.2
414.11111	3.8
414.18488	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	412.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95428	0.8
59.01380	3.6
60.19416	1.0
68.99590	1.8
71.01375	5.1
75.00877	1.0
85.02986	1.0
89.02446	2.3
101.02438	2.6
112.98576	1.4
130.08749	100.0
131.09079	3.0
152.33102	1.0
161.04578	1.0
163.06116	2.8
174.11371	38.6
175.11664	1.8
249.06042	1.9
274.83939	1.1
281.12439	3.9
352.11743	1.1
413.17010	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	412.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26951	0.6
58.00149	0.6
59.01385	10.1
61.27610	0.6
61.98839	2.2
66.18875	0.6
69.03451	1.4
71.01403	1.6
79.15349	0.5
83.01422	0.7
89.03963	1.0
95.01380	1.1
99.92599	2.3
101.02470	1.1
101.06087	1.8
103.23145	0.6
105.03469	20.9
106.03803	11.9
107.05060	2.3
107.14141	0.7
108.02159	0.8
116.07193	0.7
117.03482	0.6
121.02966	2.4
123.20964	0.6
124.01773	0.7
127.04008	1.0
133.02980	1.0
135.04543	2.5
136.01654	2.6
149.02452	32.4
150.02777	15.2
151.02913	0.8
151.04024	1.1
157.06522	3.9
158.06920	1.9
159.04591	0.7
160.04822	0.7
161.02458	8.3
162.02811	6.6
163.00371	0.8
163.02974	4.7
164.03238	1.7
167.03519	15.0
168.03818	7.6
173.06137	0.9
174.06474	0.9
175.04016	3.7
175.07693	5.7
176.04446	3.1
177.01968	0.8
177.05338	0.8
178.02666	1.3
179.03455	0.7
181.06543	0.7
187.04053	0.8
189.05574	1.1
193.05069	1.0
201.05595	2.9
202.06024	1.9
204.00671	1.2
218.05312	1.0
219.06657	4.3
220.03645	0.8
220.07014	4.3
241.08702	1.8
243.25931	0.6
252.56584	0.6
259.09811	2.5
265.08685	0.9
267.06720	1.3
269.04404	0.6
283.06482	0.6
284.06604	0.8
293.08154	0.8
294.09070	1.7
298.08310	0.9
306.09192	1.0
307.09866	1.9
309.08035	0.8
309.11157	3.6
311.05576	3.8
312.06015	11.4
321.11533	0.7
323.09052	0.7
326.07620	4.5
327.08264	9.1
328.08554	1.2
337.10751	9.0
339.12509	2.1
341.10352	5.1
341.13950	1.2
342.10620	23.8
343.11057	2.5
353.10260	2.2
364.08795	0.9
369.13345	6.0
369.16934	0.6
379.11520	0.8
381.09680	1.0
382.09714	3.6
394.09506	1.2
394.13852	2.5
397.11853	2.1
412.14838	100.0
413.15350	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	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36451	1.0
57.42082	1.0
59.01385	100.0
60.01704	1.5
61.21816	1.1
69.64433	2.5
69.64854	5.7
78.25240	1.4
98.19833	1.2
127.98267	1.3
193.31078	1.2
194.85950	1.1
215.18077	1.2
275.09894	1.4
279.22159	1.2
323.46042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40527	2.2
56.19296	2.0
59.01389	100.0
61.46010	1.9
69.48907	4.3
69.49320	9.9
82.41209	2.0
105.42461	2.3
107.65912	2.1
135.03671	2.4
135.04570	16.6
137.06102	3.8
148.05351	8.2
149.06078	13.3
173.93893	2.3
175.07628	3.3
191.07068	2.2
251.30374	2.2
305.27402	2.1
393.28116	3.0
411.14548	7.2
411.29080	30.5
412.29532	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	411.2181
Annotation	andilesin C
Peak:m/z	Relative Intensity
50.19988	0.7
57.03457	0.9
59.01380	3.1
61.98836	1.0
69.54362	0.8
70.13639	1.5
70.14030	1.7
77.25824	0.6
80.22534	0.7
93.28716	0.8
107.05039	5.0
113.00407	0.8
115.58356	0.8
122.03754	1.3
135.04546	19.8
136.04831	1.6
149.06023	1.1
153.12871	0.7
161.02420	1.1
171.08136	2.3
175.07669	3.8
177.12926	0.8
195.13867	1.6
212.08347	1.2
213.09213	6.8
225.09229	6.1
226.09988	9.1
227.10513	1.0
228.11189	0.9
276.17181	1.7
323.20197	1.7
349.21756	8.5
350.22174	1.1
367.22794	45.8
368.23096	7.9
393.20694	10.3
394.20932	1.4
408.07147	0.8
411.21768	100.0
412.22070	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	411.2183
Annotation	andilesin C
Peak:m/z	Relative Intensity
57.03424	0.8
57.38924	0.5
59.01372	1.8
61.98839	0.6
65.00323	0.5
67.01896	0.6
69.03463	3.2
69.21705	4.2
81.03465	0.5
89.73952	0.4
91.05522	1.0
93.03484	0.5
96.95998	0.5
107.05026	3.1
108.02191	0.4
109.06583	0.8
121.02977	1.1
122.03781	2.7
133.06570	0.8
134.03749	0.4
135.04546	11.9
136.04877	0.8
137.02536	0.5
137.06102	0.7
148.05283	0.4
149.02492	0.9
149.06149	3.2
150.06880	5.4
150.94766	0.5
157.06592	0.6
159.04527	1.0
161.02469	0.8
171.08168	3.2
175.07666	4.6
176.01155	0.4
176.08119	0.5
177.01958	0.8
187.04054	1.0
187.07732	0.4
190.32352	0.4
194.82353	0.4
195.14113	0.5
197.09869	0.4
197.13304	0.8
199.07631	0.6
201.05591	0.8
202.06459	1.0
203.03444	0.6
212.08353	0.8
213.09238	12.4
213.11179	0.8
214.09564	1.2
219.06651	3.2
220.00209	1.8
223.11276	0.4
225.09244	11.6
225.11403	0.8
226.09892	3.8
227.10443	0.9
235.02446	2.8
237.09309	0.5
239.10652	1.9
241.12355	19.8
242.12724	1.5
243.06636	0.9
258.08868	0.5
276.17389	1.2
279.13895	0.6
283.13513	0.5
316.67773	0.5
323.20160	0.5
336.20526	0.6
337.20779	1.2
349.21756	9.5
350.22150	1.3
351.10428	1.8
367.22803	30.9
368.23019	4.1
381.09891	1.3
393.20288	8.1
394.20340	0.5
411.15002	3.6
411.21786	100.0
412.16025	0.8
412.22113	16.2
439.61493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01382	100.0
60.01720	0.8
63.91922	0.7
67.58907	0.6
69.03461	0.6
71.01385	11.3
71.54900	0.8
72.99300	0.7
73.02945	10.4
76.56255	0.8
80.41737	0.6
83.01411	2.9
85.02976	2.7
86.55547	0.7
87.00909	1.8
87.24085	0.6
89.02449	4.2
99.02761	1.0
101.02446	11.2
113.02447	6.3
119.03503	0.9
131.03500	1.2
137.09760	3.6
139.72974	0.6
143.03491	1.3
147.03558	0.6
147.04509	4.0
161.04594	2.0
162.52773	0.6
165.04170	0.7
166.92546	0.6
219.13972	1.1
239.11224	1.8
254.04326	0.8
263.07788	1.2
263.12863	1.3
275.88803	0.6
282.52484	0.6
324.63263	0.7
401.27185	0.7
411.12891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99778	0.6
59.01384	100.0
60.01710	1.0
62.29831	0.6
71.01385	3.7
73.02964	1.5
87.00909	0.8
89.02465	2.3
101.02454	2.2
113.02476	1.3
119.03531	0.8
135.81595	0.7
142.11528	0.6
150.12439	0.6
219.06563	1.0
311.12863	1.0
311.96805	0.7
339.12466	1.4
355.39795	0.8
411.14630	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	411.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14937	0.8
53.27925	0.9
57.03429	1.0
59.01387	100.0
60.01728	1.4
68.48304	1.0
69.03478	1.0
69.36308	4.2
69.36729	3.4
71.01390	22.0
72.99313	2.1
73.02958	15.4
75.00881	1.1
81.03476	1.2
83.01398	4.4
83.05038	1.9
85.02972	3.1
86.39075	0.9
87.00898	1.2
89.02467	8.3
97.02998	1.7
99.00816	0.9
99.04564	1.2
101.02451	15.5
113.02467	10.2
119.03514	2.3
131.03511	1.6
134.03764	2.1
137.09764	6.5
144.67491	1.0
161.04555	3.3
189.12981	1.6
189.36603	1.0
191.13307	1.2
219.13794	2.4
375.23383	1.1
411.13370	2.1
411.27890	2.0
411.77505	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	411.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14937	0.8
53.27925	0.9
57.03429	1.0
59.01387	100.0
60.01728	1.4
68.48304	1.0
69.03478	1.0
69.36308	4.2
69.36729	3.4
71.01390	22.0
72.99313	2.1
73.02958	15.4
75.00881	1.1
81.03476	1.2
83.01398	4.4
83.05038	1.9
85.02972	3.1
86.39075	0.9
87.00898	1.2
89.02467	8.3
97.02998	1.7
99.00816	0.9
99.04564	1.2
101.02451	15.5
113.02467	10.2
119.03514	2.3
131.03511	1.6
134.03764	2.1
137.09764	6.5
144.67491	1.0
161.04555	3.3
189.12981	1.6
189.36603	1.0
191.13307	1.2
219.13794	2.4
375.23383	1.1
411.13370	2.1
411.27890	2.0
411.77505	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	411.1453
Annotation	cis-12a-Hydroxyrot-2'-enonic acid
Peak:m/z	Relative Intensity
59.01364	2.4
61.98835	2.4
69.25822	1.0
69.84853	2.9
69.85265	2.1
75.00873	1.4
93.03486	1.1
99.92610	2.0
101.28634	1.0
107.05039	7.3
111.00907	2.1
115.92094	1.5
116.92858	3.6
121.02897	1.3
122.80947	1.0
130.04286	1.3
131.08736	1.6
133.02950	3.5
135.04543	2.6
136.01697	2.3
137.02428	3.2
139.00392	26.1
140.00716	1.3
145.59479	0.9
149.02461	2.1
154.02740	20.7
154.17921	1.1
157.06616	3.9
159.04538	1.5
159.08160	2.0
161.02513	5.2
162.03252	1.7
165.01938	4.0
169.05084	15.8
169.24045	1.1
171.10275	1.5
173.06175	1.0
175.07652	17.3
176.01114	1.6
176.07979	7.5
177.02026	5.0
177.08179	2.8
177.99039	1.3
189.01923	1.1
191.03555	2.1
191.07140	4.5
192.04326	6.1
193.01439	3.0
197.09700	1.3
201.05576	2.0
203.07152	10.5
203.10724	1.9
213.09296	1.2
221.08401	1.3
225.09131	1.2
226.09706	2.8
227.07100	1.6
227.10078	1.9
236.59546	0.9
240.11078	1.4
241.08759	17.0
241.11237	1.5
242.09489	6.9
243.10280	29.0
244.10594	1.6
275.20114	3.3
293.21292	3.5
311.19284	1.6
337.10861	3.6
349.20935	2.2
353.10321	6.3
363.08929	1.3
367.11884	1.9
367.21954	1.6
379.12018	6.7
381.09854	14.2
382.10144	2.3
393.19693	3.3
395.11359	7.0
396.12207	6.7
410.20804	1.4
411.14545	100.0
411.20694	14.8
412.14865	16.4
412.20404	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	411.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.3
59.01377	7.5
64.30894	1.1
69.03428	1.8
69.52015	7.9
71.01380	3.5
72.99308	1.3
73.02940	1.3
79.09671	1.3
80.56586	1.1
83.05036	1.8
85.02959	1.6
85.06588	1.2
89.02448	2.7
90.30727	1.2
95.05045	3.5
97.02963	6.8
97.06560	2.1
99.00933	1.3
109.02947	2.7
109.06597	5.6
111.04519	3.5
113.02449	1.6
119.08665	4.0
121.02936	1.8
121.06599	5.2
122.03755	12.5
123.04502	2.1
124.05313	17.6
125.06051	2.8
132.45383	1.3
133.06602	1.3
135.66640	1.2
137.06107	8.1
137.09689	1.3
139.07657	100.0
140.07985	4.7
145.10182	1.6
147.04387	1.1
147.08154	3.6
149.04507	2.6
163.07689	1.9
163.11276	1.8
168.06651	1.7
168.07933	18.7
169.08690	7.9
171.08185	3.2
175.07494	1.7
175.11342	1.6
177.09232	14.9
177.12848	1.9
178.09454	1.4
185.09787	1.6
187.11270	14.8
188.11661	1.8
190.09978	3.9
203.10741	1.6
204.11629	7.2
205.08749	6.9
205.12341	31.7
207.10240	1.8
217.12296	2.8
219.13893	4.2
235.13387	6.7
249.11330	6.5
263.12885	16.6
279.12393	50.5
280.12668	5.1
290.22821	1.3
411.16602	13.6
412.16962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51542	0.3
52.59017	0.4
59.01378	1.5
71.01379	0.6
77.78455	0.3
79.05542	0.3
81.66864	0.3
89.03984	0.6
99.98138	0.3
105.03484	0.4
107.05040	0.7
108.02168	0.6
109.02963	1.8
121.02956	1.4
122.03782	0.6
123.00856	0.7
123.04527	0.6
133.02989	4.4
136.01665	1.4
137.02431	1.0
138.03317	0.3
141.44254	0.3
143.05013	1.0
144.05769	0.9
147.04581	0.5
149.02478	2.9
149.99597	0.5
155.71866	0.3
157.06592	3.0
159.04536	2.0
159.08173	6.5
160.08434	0.5
161.02458	3.4
162.03101	0.4
163.03973	0.4
165.01953	0.9
171.90129	0.3
173.06036	0.4
175.04008	1.3
175.07637	2.2
176.01173	0.8
177.01942	13.6
177.09224	0.7
177.99127	0.4
178.02438	0.5
185.06068	0.7
187.04005	2.5
190.02826	0.6
190.06311	0.4
191.03520	3.4
191.07175	0.9
192.04277	3.0
193.01402	0.6
193.05232	0.4
201.05568	2.9
202.06369	1.6
203.07152	36.7
203.10841	1.1
204.07500	2.7
205.08759	0.5
221.08191	5.6
222.08551	0.7
229.08765	0.7
230.18106	0.4
231.06302	0.3
245.08180	0.9
249.11327	0.4
269.69525	0.3
288.51099	0.4
323.05667	0.4
335.05716	0.5
335.09256	0.7
337.10944	1.6
350.11258	0.4
353.10306	1.3
363.08640	0.5
367.11856	0.9
377.10345	0.6
378.11026	0.7
379.11911	2.0
381.09821	14.1
382.10138	1.3
395.11356	2.1
396.12106	5.9
411.14499	100.0
412.14859	14.7
412.20401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1453
Annotation	dalpanol
Peak:m/z	Relative Intensity
57.03428	0.4
59.01385	9.1
63.63776	0.3
71.01389	1.3
73.02942	0.5
85.02969	0.4
89.02444	0.5
91.05555	0.4
93.03500	0.5
94.62171	0.3
95.01379	0.4
101.02423	0.6
106.04254	2.5
107.05012	0.7
108.02219	0.6
113.02442	0.5
117.03478	1.5
119.03516	0.4
121.02946	1.2
122.03743	0.5
128.88039	0.3
130.04257	6.4
132.05818	0.3
133.02982	0.6
136.01669	1.4
143.05075	0.7
145.02928	0.5
145.06606	5.8
147.04509	0.4
147.08162	2.3
148.08505	0.4
149.02422	1.3
150.03267	0.8
156.05821	0.4
157.06599	5.5
159.04521	1.1
160.05293	1.0
161.02464	4.5
161.06030	0.5
162.03146	0.5
163.04019	0.4
163.07681	0.8
163.71165	0.3
173.06078	1.5
174.03238	0.9
175.03983	0.8
175.07660	3.3
176.04811	0.6
177.01956	0.9
183.02739	0.3
186.79480	0.3
187.04039	1.1
188.04643	0.7
189.01906	0.4
189.05602	5.0
191.07158	2.7
201.05573	9.3
202.05917	0.6
203.03540	0.6
205.05138	0.6
206.02293	0.5
207.06659	1.5
215.07108	1.4
216.07468	0.4
219.06622	37.3
220.06966	2.8
227.07164	1.4
237.07703	6.0
238.08083	0.7
245.08192	2.5
246.08525	0.5
268.03693	0.5
296.03461	0.5
329.06647	0.5
351.09033	1.5
353.10385	0.6
358.07062	0.5
363.08682	1.8
364.09467	0.5
365.10263	0.5
366.11081	0.7
367.11716	1.1
378.11063	0.6
379.11893	7.5
380.12097	0.7
381.09470	7.7
381.14215	2.7
382.09946	1.0
393.13449	2.7
395.11337	1.0
396.12119	3.6
397.12387	0.5
411.14490	100.0
412.14828	15.3
412.18866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
62.43706	0.7
65.00327	1.3
67.44379	0.6
76.75245	0.7
81.61256	0.6
89.03971	0.7
89.95035	0.6
99.92564	0.8
105.03466	39.7
106.03792	1.7
108.02172	1.2
110.26145	0.7
121.02998	3.1
121.36066	0.8
122.03876	0.8
123.00906	1.2
133.02992	1.3
136.01634	4.0
147.04622	0.9
149.02448	56.8
150.02925	2.4
153.92441	0.6
157.06598	4.6
159.93584	0.7
161.02452	6.7
162.02882	3.1
163.02977	1.9
167.03502	16.9
168.03893	1.1
173.06129	1.2
175.04024	7.6
176.04826	0.9
177.01868	1.3
177.05455	1.0
178.02820	0.9
198.69325	0.7
201.05609	5.1
203.03479	1.3
204.00699	0.9
205.05084	1.2
207.06650	4.3
215.03578	1.0
217.05008	1.3
219.03276	1.6
219.06654	9.8
233.04602	2.1
237.07706	1.0
267.06659	1.3
294.59793	0.7
297.07825	2.0
311.05600	15.4
312.05988	1.7
325.07336	2.2
326.07977	12.4
327.08505	1.9
341.10300	32.8
342.10712	3.1
352.09445	0.8
353.10275	0.9
363.08377	1.3
380.97070	0.8
381.09641	3.3
393.13562	2.8
396.07932	1.3
396.12759	1.3
411.14563	100.0
412.09882	1.0
412.14880	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65823	0.3
59.01390	4.5
68.25689	0.4
70.11031	1.6
71.01397	1.0
71.74088	0.4
73.02956	0.4
88.20787	0.4
89.03984	0.9
96.96000	0.5
101.02473	0.7
105.03490	0.7
107.05072	0.5
108.02171	0.8
108.04585	0.4
109.02942	1.6
113.02488	0.4
121.02964	1.3
122.03742	0.4
123.04521	0.5
133.02985	5.9
136.01682	0.9
137.02458	0.7
143.05045	1.1
144.05769	0.6
146.48848	0.4
149.02455	2.7
149.99545	0.5
157.06575	3.9
159.04581	1.9
159.08156	7.5
161.02470	10.8
162.02940	0.6
163.04044	0.5
165.01950	0.9
173.05948	0.4
175.04007	0.8
175.07637	2.2
176.01137	0.9
177.01947	12.4
177.09100	0.6
177.99030	0.5
178.02547	1.2
185.06177	0.7
187.04076	2.3
189.02005	0.5
190.06491	0.5
191.03529	3.7
191.07161	0.7
192.04254	1.9
193.01486	0.7
193.05037	1.2
201.05609	3.2
202.06401	1.8
203.07164	35.7
204.07500	3.3
205.08751	0.5
221.08188	6.2
229.08508	0.5
282.05270	0.5
297.07730	0.5
309.11490	0.4
323.05508	0.5
335.05756	0.9
335.09399	0.6
336.80692	0.4
337.10727	1.3
340.96515	0.4
349.11044	0.4
353.10355	1.1
363.08688	0.9
367.11844	1.0
378.10965	0.5
379.07974	3.0
379.12076	1.1
381.09848	12.1
382.10205	1.7
395.11371	2.6
396.12143	6.7
397.12549	0.9
411.14517	100.0
412.14868	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	411.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27312	0.4
70.01978	1.9
89.03970	0.6
107.05042	0.5
109.02926	0.8
133.02974	2.8
136.01624	0.8
137.02484	0.5
142.00783	0.4
149.02489	2.4
157.06592	2.4
159.04536	1.9
159.08148	5.8
161.02483	2.4
163.03951	0.5
165.01849	0.8
175.03987	0.9
175.07654	1.7
176.01228	0.7
177.00513	0.7
177.01947	10.3
177.09093	0.5
177.99026	0.5
178.02325	0.7
185.06078	0.6
187.04021	1.8
188.04565	0.4
189.01917	0.5
191.03511	2.6
191.07240	0.6
192.04240	1.8
201.05655	2.6
202.06380	1.7
203.07150	27.4
204.07526	2.1
221.08165	3.6
245.08153	0.6
293.57358	0.5
337.10898	1.2
353.10410	0.7
363.08752	0.5
367.11966	0.9
379.11859	1.3
381.09824	9.6
382.10080	1.3
395.11374	1.7
396.12122	5.8
397.12671	0.5
411.14496	100.0
412.14838	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	411.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	2.3
65.00322	2.0
67.01932	0.5
67.24411	0.5
68.99828	0.7
69.96331	2.4
74.13258	0.6
82.83875	0.5
108.02142	0.5
109.06716	0.5
129.07137	0.9
131.08711	2.6
133.06613	7.1
135.00893	0.6
135.04518	0.8
136.01692	1.1
137.02448	3.7
142.51009	0.5
147.08174	2.2
149.02443	0.8
149.06104	2.3
151.07675	8.2
157.06641	0.8
159.04568	1.1
161.02463	1.8
163.00499	1.0
164.01230	0.7
173.06126	0.6
175.00378	1.1
175.04018	1.3
175.07654	9.4
176.01166	3.1
177.01892	1.9
177.05547	0.7
189.01988	1.0
189.05644	0.9
190.02682	1.6
190.06366	2.0
191.07164	6.6
192.07501	0.5
193.08688	0.8
202.02742	0.8
203.03494	3.7
204.04126	0.6
217.05002	1.3
217.08833	0.5
218.05838	1.7
219.06645	21.5
220.07039	0.6
222.01712	0.7
227.10362	0.7
233.08224	1.6
237.07579	1.1
245.08214	6.7
246.08580	0.5
312.02542	0.7
337.10849	0.6
338.04367	0.5
353.06619	0.7
353.10275	3.7
367.11844	2.1
381.09827	28.0
382.10193	3.1
395.11465	4.9
396.12003	5.9
397.12085	0.6
406.24402	0.6
411.14536	100.0
412.14899	15.1
412.20486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03691	0.1
59.01373	0.2
59.72356	0.1
67.01892	0.2
69.97253	0.5
78.70720	0.1
79.05539	4.4
79.05986	0.2
80.05872	0.2
80.41905	0.1
93.03454	0.6
103.50419	0.1
105.07111	0.4
107.05042	27.3
108.02168	0.3
108.05385	0.8
109.02985	0.1
115.05537	0.3
121.03017	0.3
122.03734	0.3
123.00922	0.5
129.07147	0.5
131.08682	2.6
132.08978	0.3
133.02971	0.3
133.06609	1.2
136.01683	0.4
138.03256	0.2
138.12584	0.1
142.85547	0.1
145.02979	0.3
147.08188	0.2
148.01685	0.5
149.02457	0.9
151.04033	0.9
157.06601	1.8
159.04529	4.8
160.05322	2.5
161.02460	0.6
161.05661	0.2
163.00388	0.3
164.04803	0.4
173.06084	0.4
175.07657	100.0
176.01180	0.4
176.07996	6.7
177.01982	0.6
177.09259	0.2
179.03506	0.5
179.07161	0.3
185.06079	0.2
187.04041	0.3
187.07715	0.2
191.03442	0.2
192.04352	0.4
193.05017	0.2
194.05901	0.3
201.05492	0.6
201.09227	1.5
202.06381	0.1
205.01439	6.9
206.01802	0.3
217.08701	0.8
220.03786	5.5
220.05948	0.3
221.04211	0.5
235.06131	9.0
236.06493	0.6
257.08301	0.2
319.09970	0.2
335.09344	0.6
337.07010	0.2
337.10709	0.1
338.08038	0.2
353.10440	0.2
355.08435	0.2
363.08765	0.5
367.15613	0.3
378.10989	0.3
393.13516	0.3
396.12173	0.3
411.14502	14.5
412.14890	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	411.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57018	0.2
70.48370	0.2
75.36443	0.2
79.05545	4.3
81.70344	0.2
85.86797	0.2
93.03448	0.4
96.98091	0.2
98.20652	0.7
107.05041	25.0
108.05377	1.2
115.05563	0.3
123.00951	0.3
129.07118	0.8
131.08682	2.5
133.06578	1.3
135.00970	0.2
136.01662	0.4
138.03238	0.3
147.08112	0.3
148.01677	0.6
149.02464	1.0
151.04018	0.8
152.04417	0.2
157.06592	2.0
159.04523	4.3
160.05339	2.6
161.02475	0.4
163.00488	0.2
164.04817	0.5
173.06113	0.3
175.07654	100.0
176.01210	0.3
176.07990	6.9
177.01938	0.7
179.03490	0.5
185.06046	0.2
191.03580	0.3
192.04227	0.3
201.05562	0.6
201.09222	1.8
202.06377	0.3
205.01421	6.5
206.01816	0.3
217.08711	0.7
219.06639	0.3
220.03767	5.4
220.05946	0.3
221.04369	0.3
235.06139	9.2
236.06425	0.8
335.09256	0.8
337.07162	0.3
353.10434	0.3
363.08676	0.5
367.15680	0.2
393.13867	0.3
396.11768	0.2
411.14511	16.6
412.14795	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	411.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40040	0.5
57.09847	0.5
62.62107	0.5
69.84093	2.3
78.89756	0.4
89.03986	0.5
91.05556	0.6
95.01427	0.5
117.03491	2.1
121.02966	3.1
133.02972	12.8
134.03285	0.5
135.04533	5.4
136.01620	0.6
149.02438	2.0
161.02455	100.0
162.02809	4.8
163.07683	1.1
164.99341	0.5
165.01996	0.6
175.04056	1.3
175.07675	0.8
176.04788	11.4
177.05359	0.8
179.03551	0.8
187.00301	0.7
191.07246	0.5
193.08722	1.2
201.05420	0.5
208.07436	0.8
295.06198	0.6
323.05652	5.4
335.09027	0.6
337.07117	2.8
337.10638	0.6
338.08005	3.5
339.08615	1.3
353.10330	15.0
354.10834	2.5
363.08844	2.3
381.04913	1.0
381.09802	18.5
382.10059	2.7
393.13318	1.0
396.12155	10.1
397.12686	1.2
411.14481	65.8
412.14819	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
65.36169	0.8
67.01904	0.9
77.36864	0.7
79.05517	1.8
81.03423	0.7
83.01397	0.9
96.96003	0.6
98.20629	1.3
105.03481	1.0
107.01398	1.6
107.05052	5.3
108.02208	1.8
108.05370	0.9
109.02989	0.7
117.03479	2.3
121.02953	5.6
122.03757	1.4
123.00894	2.9
133.02954	6.4
135.04517	5.1
136.01694	4.1
138.03278	3.4
145.78964	0.7
149.02470	1.8
150.03159	0.8
151.00339	3.9
153.05565	1.7
157.06583	5.4
159.04520	2.4
159.08130	0.7
161.02460	100.0
162.02867	6.4
163.00426	1.8
163.07591	0.8
164.01137	1.3
165.01971	1.1
165.05508	0.8
173.06082	4.1
175.04033	2.5
175.07664	16.6
176.04788	15.8
176.08070	1.3
177.01920	10.8
177.05194	1.0
177.09225	5.6
179.03526	1.2
183.61879	0.7
187.00362	1.2
187.04079	1.7
201.05608	6.4
202.06198	1.3
202.99951	2.1
205.01398	1.7
213.09203	1.0
219.06679	2.7
220.03806	1.2
223.07652	1.1
231.10271	0.9
235.06038	1.2
242.12505	0.8
245.08218	0.8
265.08633	1.0
279.06793	1.7
280.07245	0.8
281.04562	1.8
283.06595	0.7
283.09796	3.7
287.05670	1.6
291.10403	0.9
293.08124	1.3
295.06134	1.8
307.06116	0.8
307.09518	0.9
309.04178	5.9
319.09622	1.1
321.07645	2.1
322.08456	5.2
323.05630	6.6
324.06332	2.5
325.07205	2.0
326.07916	1.0
335.09192	2.3
337.07196	1.9
337.10916	5.0
338.07974	4.1
339.08679	4.8
340.09021	1.2
349.10635	1.3
353.10315	23.1
354.10703	3.6
363.08826	8.4
364.09177	1.5
367.11542	1.6
369.13373	1.0
378.11108	2.5
379.08151	2.6
381.09802	16.4
382.10220	2.7
393.13541	11.0
394.13702	0.9
396.12204	10.9
397.12823	1.3
411.14514	90.0
412.14996	13.7
412.20068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1088
Annotation	Aklavinone
Peak:m/z	Relative Intensity
59.01382	3.4
61.98825	1.1
63.02420	1.4
65.00327	1.0
65.03968	0.9
68.99818	1.6
70.53579	3.2
71.05039	2.1
73.85220	0.8
79.05518	1.3
81.03474	2.2
83.01380	1.9
89.03983	6.3
91.01881	1.6
93.03490	1.3
95.01396	4.4
100.20669	0.9
101.06078	2.0
105.03472	1.9
107.05046	5.6
108.02184	2.6
109.02984	5.4
109.38602	0.9
121.02159	1.5
121.02966	11.5
123.00901	7.0
123.04489	1.9
131.08690	1.2
133.02969	20.1
135.00917	8.5
136.01691	12.5
137.02394	0.9
148.01665	1.7
149.02449	9.5
149.99629	1.4
151.27701	0.9
153.01941	8.3
155.03534	1.7
157.06592	2.6
159.00877	1.4
159.04506	1.8
159.20094	1.0
161.02454	7.2
162.02945	1.9
165.05621	1.4
166.02682	1.0
167.03499	12.1
173.06105	1.2
174.03203	1.2
175.04001	1.2
175.07672	20.0
176.01192	2.7
176.04749	1.5
176.07921	1.4
177.01953	30.0
178.02359	1.5
181.05116	1.4
190.61052	0.9
191.03535	4.4
191.07103	4.6
192.00769	0.9
195.03035	1.0
199.07724	1.8
201.05627	2.9
209.04555	27.5
209.06352	1.8
210.04865	1.3
211.07677	1.0
213.09225	2.2
214.09473	1.3
215.07190	1.3
215.09955	0.9
219.06616	19.6
220.57910	1.1
229.08644	1.1
235.02380	1.6
237.07727	4.9
238.08177	1.1
243.06563	1.7
245.08261	1.1
257.08224	24.1
258.08679	1.4
267.02969	1.1
275.07089	1.1
277.05038	2.3
287.03458	1.8
288.95871	0.9
291.06772	2.1
291.10022	1.2
292.07623	1.0
293.05280	1.4
293.08090	6.3
297.07562	1.1
301.05051	2.1
302.05646	1.6
307.09680	1.5
309.04065	2.0
310.04333	1.0
311.05743	1.1
317.08209	11.0
318.08490	1.6
319.06244	1.3
324.06308	1.2
325.07117	2.6
329.10312	1.1
329.23483	1.2
333.07907	1.6
335.09262	22.6
336.09653	1.7
337.07159	1.3
339.08716	3.0
340.09189	1.6
341.10370	2.7
351.09018	2.2
367.22025	2.4
372.08615	1.7
379.08252	8.8
381.09811	5.9
393.10037	2.5
395.11209	1.5
396.12030	5.0
397.12692	2.0
411.14575	100.0
411.20837	5.5
412.14859	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	411.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.3
69.19518	2.1
70.10159	8.2
71.01379	3.7
72.62891	2.1
87.19464	2.2
121.02982	2.6
147.07764	2.2
148.05325	50.2
149.05554	2.6
159.04514	3.1
161.02466	6.5
162.03232	7.3
163.04004	2.5
163.07669	43.5
164.01143	23.8
164.08000	3.1
175.04001	2.6
177.01982	5.6
178.02699	3.5
179.03439	7.4
187.03935	2.9
189.05531	5.6
192.04437	2.9
217.05037	2.9
265.05106	3.1
265.08359	2.2
274.06064	2.4
275.07385	3.1
277.08401	2.4
281.08295	2.6
293.04630	5.2
294.09009	2.3
295.02274	4.0
305.08121	5.5
333.07678	2.9
350.08203	2.7
361.07141	4.4
362.33936	2.4
363.08719	2.9
365.10297	4.9
377.06760	2.9
378.07440	12.1
383.11368	3.2
393.09805	100.0
394.10229	12.2
411.14392	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	411.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.7
58.91888	0.5
59.01387	14.2
63.00847	0.5
66.84265	0.5
69.03468	0.7
71.01378	2.6
73.02955	0.9
82.59373	0.6
85.02985	1.0
87.69937	0.5
89.02461	1.3
93.03490	0.7
95.85437	0.6
96.95988	0.5
98.20680	1.3
99.00890	0.7
101.02475	1.2
108.02208	0.6
110.00082	0.9
113.02450	1.7
119.03561	0.7
119.05044	0.7
121.02942	0.9
123.00887	1.6
124.01769	0.6
130.04253	2.0
132.02173	2.6
133.02946	1.4
134.03751	0.6
136.01622	0.6
137.02470	0.9
137.09743	2.5
145.02953	1.4
145.06604	1.0
147.04547	1.6
148.01680	1.7
148.05325	1.6
149.02431	1.6
150.03256	0.8
158.03731	1.5
159.04538	3.9
160.01639	3.6
161.02446	6.3
161.04568	0.7
162.03255	8.1
163.00392	1.1
163.03961	1.7
163.07716	2.9
164.01176	23.2
165.01576	1.0
171.04486	0.9
173.02367	0.6
173.06076	2.0
174.03328	0.8
175.04005	2.2
176.01163	1.3
176.04765	0.9
177.01978	7.6
177.05492	0.8
178.02693	3.7
179.03481	7.5
180.12585	0.7
187.04024	2.2
189.01921	1.2
189.05592	5.4
190.99896	0.6
191.07201	1.1
192.04276	0.7
193.05048	2.2
197.06137	0.9
199.04015	1.0
200.05034	0.7
202.02705	0.8
208.05357	0.6
209.66261	0.6
211.04027	1.3
215.03471	1.1
216.04312	1.7
217.05074	4.2
221.06029	0.7
222.06926	0.6
223.04028	0.9
224.04544	0.6
225.05566	0.7
226.02641	0.7
227.03365	0.7
235.04042	1.2
235.06133	1.0
237.05589	1.4
239.03438	1.0
247.07657	1.0
249.05598	1.9
249.09251	0.7
250.02670	0.7
251.03436	1.8
252.04263	1.0
253.05031	1.7
259.07809	0.7
261.05576	0.7
261.09177	0.7
263.03384	0.8
263.07129	0.8
264.04294	0.9
265.05087	3.2
265.08621	0.7
266.05469	0.8
267.02911	1.7
275.07181	0.9
277.05042	1.0
277.08710	1.2
278.02390	0.9
279.02994	1.8
280.03723	2.1
281.04559	1.1
281.08072	0.9
282.05051	0.8
289.08398	1.1
291.03094	1.1
291.06696	1.5
292.03714	2.1
292.07373	0.6
293.04587	4.7
293.08179	1.7
294.08853	1.9
295.02609	1.1
295.06119	1.8
303.06613	0.8
304.03735	1.0
305.04828	1.1
305.08179	3.8
306.08780	0.7
307.02533	1.5
307.06186	1.3
307.09668	1.0
308.03253	0.9
315.06561	0.7
316.05939	1.6
319.06158	1.8
320.06879	1.3
321.04062	2.7
321.07639	1.5
322.08578	4.3
323.09042	1.2
327.08539	0.6
331.08688	2.6
333.07715	3.1
334.08435	1.5
335.05618	0.8
337.07114	0.6
339.12296	1.1
347.05554	1.5
349.07031	3.2
350.07971	6.4
351.18268	1.1
352.09500	2.0
359.05734	0.8
361.07208	5.4
362.07840	1.4
363.08871	1.2
365.10312	5.1
366.10757	1.4
367.11835	2.1
367.17383	0.7
369.19247	2.1
377.06674	4.9
378.07465	8.7
379.07574	0.9
383.11316	4.7
393.09827	100.0
394.10126	15.6
396.08636	0.8
411.10834	7.7
411.15735	0.5
411.20544	1.1
412.11475	0.9
436.33932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69249	1.1
59.01394	5.2
65.00326	30.4
67.01895	1.9
68.32795	1.1
68.99826	2.8
70.55484	2.6
79.05531	9.5
81.03481	1.3
83.01408	1.7
85.03021	1.2
86.96643	1.3
94.34737	1.2
96.96038	1.9
98.20033	1.3
103.05549	8.8
105.07117	3.2
107.05020	12.6
108.02219	1.5
108.05376	1.3
111.00913	5.0
112.31042	1.2
116.30102	1.1
123.00988	1.9
125.02465	2.4
129.07155	3.2
131.05031	8.8
133.03024	4.3
135.00912	1.2
137.02484	3.0
142.53897	1.2
145.06638	1.6
147.04562	3.3
148.01675	1.3
149.02484	2.9
149.06067	13.1
157.06606	2.3
159.04553	1.8
159.08253	2.6
161.02454	32.7
161.06161	3.0
162.02954	1.4
163.00482	1.6
163.07712	1.5
164.01225	2.1
173.02623	1.6
173.06070	22.0
174.03235	1.9
175.04076	3.2
175.07661	13.0
176.01208	2.7
176.04816	4.0
177.01973	9.1
177.09282	1.4
178.02779	4.7
189.05530	5.7
191.03522	1.8
191.07217	2.7
193.05083	2.9
201.05710	2.2
203.07156	12.3
203.08582	1.1
204.00735	2.2
204.07550	1.7
205.01367	1.4
217.05055	100.0
218.05383	6.3
219.03064	2.2
221.08290	4.0
226.02742	2.0
229.05174	3.7
235.06093	1.6
239.03612	2.6
251.03560	2.3
263.07275	1.4
271.02826	1.5
279.07025	1.6
280.07355	1.6
281.08331	2.3
281.93967	1.4
285.04004	1.4
305.07938	1.8
307.06369	1.8
313.03882	1.6
322.08585	2.1
324.06467	1.5
335.05884	1.7
350.07996	2.0
351.08911	4.0
352.05899	2.3
353.06815	9.1
353.10541	3.2
354.07242	1.5
361.07336	1.6
362.08102	3.5
365.10541	3.8
367.08340	3.9
368.09146	3.4
378.07611	2.4
381.09464	8.1
381.14166	2.3
382.10077	2.0
393.09814	92.4
394.10162	10.2
396.12222	6.0
411.14792	65.1
412.15106	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	411.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.0
59.01377	8.2
61.82357	1.7
61.98829	1.8
65.00343	8.8
69.03442	1.9
71.01389	3.2
71.02531	2.2
71.02856	2.3
77.63620	1.2
79.05543	3.2
83.01384	3.0
87.04475	1.5
92.56674	1.3
95.05012	6.2
97.06567	2.6
107.05015	5.7
108.02193	2.4
109.06580	3.3
110.00107	2.8
111.00838	3.2
114.52219	1.3
119.05040	1.9
121.02958	2.7
121.06624	9.7
123.00885	3.6
123.04510	3.2
124.01634	4.5
133.02942	6.2
133.06628	1.6
135.04482	1.5
136.01656	1.9
137.02440	3.1
137.06075	3.4
139.00381	3.3
139.07687	7.1
142.47084	1.2
145.03018	2.0
145.06485	2.2
147.04495	3.7
149.02478	6.8
150.03181	2.2
152.01073	1.6
159.04579	3.8
159.39784	1.4
161.02411	4.0
161.04514	1.7
161.06087	2.8
162.03242	15.2
163.00363	2.6
163.04031	3.2
163.07756	1.9
164.01149	2.8
165.05603	7.3
173.06026	1.9
175.00301	4.7
175.03905	3.1
175.07681	8.3
176.01157	2.5
176.04652	1.5
177.01997	10.4
177.05524	6.5
187.03984	1.6
189.01897	5.1
189.05589	7.6
190.02756	3.1
191.03450	3.0
192.00655	9.8
203.03444	5.5
204.04080	2.3
205.05052	11.5
207.06645	71.6
208.06935	4.5
215.03412	6.1
217.05060	9.7
217.94832	1.7
220.00212	2.5
227.03455	2.0
228.04405	2.8
230.02136	2.2
233.04591	23.4
233.11566	3.4
234.05136	4.8
235.02498	11.9
251.11252	1.8
254.02670	1.4
255.91959	1.5
295.02463	1.5
305.08124	1.6
321.03561	1.7
325.06912	2.1
329.23495	1.9
339.04947	4.6
351.21362	3.8
352.09326	2.1
378.07397	2.5
379.08057	1.9
393.09668	5.1
396.03528	2.1
396.08511	37.1
397.08774	3.9
411.10727	100.0
412.11017	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	411.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98840	16.2
70.22981	36.4
71.01064	13.5
71.01382	77.5
85.02965	17.3
89.02454	71.1
91.38490	11.7
101.02444	41.6
105.40690	13.0
113.02499	30.2
119.03532	27.9
125.76462	12.6
142.60941	12.7
145.02983	15.4
147.06577	28.8
149.04594	18.2
161.02542	19.4
162.03279	26.5
165.05499	19.8
177.05582	24.8
179.05627	44.0
195.06642	29.3
219.91483	11.7
234.73828	12.8
263.07773	21.4
296.21536	13.0
357.11942	42.9
358.10153	13.8
411.10492	40.4
423.14206	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	411.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.0
59.01377	8.2
61.82357	1.7
61.98829	1.8
65.00343	8.8
69.03442	1.9
71.01389	3.2
71.02531	2.2
71.02856	2.3
77.63620	1.2
79.05543	3.2
83.01384	3.0
87.04475	1.5
92.56674	1.3
95.05012	6.2
97.06567	2.6
107.05015	5.7
108.02193	2.4
109.06580	3.3
110.00107	2.8
111.00838	3.2
114.52219	1.3
119.05040	1.9
121.02958	2.7
121.06624	9.7
123.00885	3.6
123.04510	3.2
124.01634	4.5
133.02942	6.2
133.06628	1.6
135.04482	1.5
136.01656	1.9
137.02440	3.1
137.06075	3.4
139.00381	3.3
139.07687	7.1
142.47084	1.2
145.03018	2.0
145.06485	2.2
147.04495	3.7
149.02478	6.8
150.03181	2.2
152.01073	1.6
159.04579	3.8
159.39784	1.4
161.02411	4.0
161.04514	1.7
161.06087	2.8
162.03242	15.2
163.00363	2.6
163.04031	3.2
163.07756	1.9
164.01149	2.8
165.05603	7.3
173.06026	1.9
175.00301	4.7
175.03905	3.1
175.07681	8.3
176.01157	2.5
176.04652	1.5
177.01997	10.4
177.05524	6.5
187.03984	1.6
189.01897	5.1
189.05589	7.6
190.02756	3.1
191.03450	3.0
192.00655	9.8
203.03444	5.5
204.04080	2.3
205.05052	11.5
207.06645	71.6
208.06935	4.5
215.03412	6.1
217.05060	9.7
217.94832	1.7
220.00212	2.5
227.03455	2.0
228.04405	2.8
230.02136	2.2
233.04591	23.4
233.11566	3.4
234.05136	4.8
235.02498	11.9
251.11252	1.8
254.02670	1.4
255.91959	1.5
295.02463	1.5
305.08124	1.6
321.03561	1.7
325.06912	2.1
329.23495	1.9
339.04947	4.6
351.21362	3.8
352.09326	2.1
378.07397	2.5
379.08057	1.9
393.09668	5.1
396.03528	2.1
396.08511	37.1
397.08774	3.9
411.10727	100.0
412.11017	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	411.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98268	0.8
59.01390	5.0
65.00334	12.8
68.99812	1.1
71.01382	0.8
71.54430	1.0
73.64535	0.6
79.05533	5.8
90.37481	0.7
95.01399	1.0
103.05560	5.7
105.07169	1.5
107.05017	3.7
108.02196	2.0
111.00885	2.9
111.64777	0.7
115.05525	0.7
123.00933	0.8
123.04562	3.8
124.01648	1.4
129.07083	1.4
130.04211	0.7
131.05023	4.5
132.02155	0.9
133.02974	0.9
137.02441	1.4
145.06615	1.6
146.03865	0.7
147.04550	2.3
148.01682	1.9
149.06088	5.5
151.00427	1.1
158.03828	1.1
159.04576	1.6
161.02466	2.4
161.06108	2.4
162.03209	1.2
163.04042	2.2
163.07651	2.4
164.01190	2.5
166.02663	1.3
172.05321	1.3
173.02521	0.7
173.06093	11.5
174.03241	1.3
174.06456	1.6
175.04079	1.8
176.01157	1.5
177.01942	1.3
178.02788	1.2
178.06331	0.7
181.05063	1.6
189.01912	1.3
189.05588	10.8
191.07124	2.7
198.03134	1.4
199.04216	0.7
201.01930	1.3
204.00768	0.8
214.02748	1.4
215.03670	1.6
217.05080	45.0
218.05457	3.4
219.03024	0.8
219.06595	2.1
220.20612	0.8
223.03922	0.9
226.02756	1.2
227.03548	1.5
229.01453	0.8
229.05093	1.4
239.03494	1.6
242.02185	0.7
243.02917	0.8
244.84662	0.7
249.53792	0.7
251.03452	1.8
263.07172	1.8
265.05106	1.3
267.02811	1.3
273.08002	0.7
277.08878	1.4
278.09348	1.4
279.02710	0.8
279.06686	0.8
280.07480	1.4
281.08148	1.9
291.06668	0.8
293.05081	0.7
293.08194	1.7
294.08908	1.1
295.02707	0.9
305.08273	2.1
306.09027	2.0
317.08191	0.9
321.07626	1.1
322.08456	2.8
323.01944	2.1
333.07648	1.9
334.08698	1.0
335.05530	1.9
349.07236	1.7
350.08014	2.4
350.24561	0.8
351.08371	1.1
353.06573	3.8
361.07260	2.5
362.07977	4.2
363.04834	1.3
363.08810	1.5
365.10397	5.4
366.10748	1.1
367.08151	1.7
368.08875	1.1
375.09848	0.8
377.06329	1.1
378.07440	3.5
381.09634	0.8
393.09833	100.0
394.10114	15.1
411.10791	4.8
411.14682	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	410.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	4.7
69.62905	1.7
83.01392	1.5
96.96008	1.5
105.03503	0.5
107.05032	5.4
109.06598	5.4
131.08665	0.8
135.04535	16.8
136.04848	0.6
139.70407	0.4
147.10573	0.4
149.06108	0.5
157.06589	1.6
159.08185	2.3
161.02512	0.6
171.08101	0.7
172.08899	0.8
173.02448	0.9
175.07704	1.8
187.07695	0.6
190.09999	1.8
211.07553	0.6
212.08392	0.8
213.09190	1.9
223.07585	0.6
224.08040	0.6
225.09245	9.0
226.09966	9.4
227.10608	1.6
228.11115	1.5
237.09151	1.1
237.12881	5.7
237.16481	0.8
238.09947	0.7
238.13237	0.6
239.10748	0.5
240.11328	0.5
247.11263	0.7
261.12936	0.4
263.14423	5.0
264.14832	0.5
279.13892	0.6
281.15491	30.8
282.15851	4.0
307.13419	37.4
308.13824	4.1
317.21817	0.4
325.14471	100.0
326.14828	13.3
366.21741	2.0
392.19571	1.0
393.20663	0.9
410.12326	4.2
410.20575	10.2
411.13077	0.6
411.21643	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	410.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.4
59.01376	13.6
68.99569	27.0
70.85513	5.9
70.85836	3.4
71.01388	30.6
73.02947	9.2
75.00851	7.4
83.01392	9.0
85.02953	11.3
87.00883	6.6
88.04044	11.9
99.00890	17.2
101.02465	7.4
102.91697	3.2
111.00900	9.9
112.98611	29.0
113.02431	9.3
117.48147	3.0
126.09265	21.8
129.01959	22.4
130.05069	7.9
130.08757	69.1
131.09102	4.0
140.07204	7.8
142.99844	11.8
155.96556	3.9
160.06096	18.7
172.08353	6.4
172.09813	100.0
173.00882	11.7
173.10139	7.1
187.46326	3.4
204.12410	82.1
205.12700	3.3
237.09790	5.9
249.06244	16.7
310.46649	4.2
380.11951	5.0
410.12888	13.9
411.09561	15.1
433.43930	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	411.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30209	7.9
57.03469	9.0
59.01385	100.0
61.98829	17.4
68.56644	8.4
69.74940	29.0
69.75344	22.2
71.01383	62.6
73.02941	14.8
85.02940	27.6
85.30318	8.6
87.00855	9.3
89.02461	78.4
96.95993	16.2
98.20650	12.9
101.02456	33.5
113.02440	25.5
115.03972	9.6
119.03506	25.4
130.08710	8.9
136.08250	8.9
145.02905	12.2
147.06711	8.4
161.02460	12.0
161.04567	21.5
162.03189	17.1
163.77361	8.2
165.05791	9.6
179.05605	34.3
195.06526	9.8
206.08203	13.8
218.13922	12.8
258.70596	8.7
339.77359	8.4
357.11667	18.1
393.17557	9.5
393.71866	9.2
411.10345	27.5
411.15366	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	409.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46516	0.9
59.01387	3.6
98.19882	1.8
104.61389	0.8
107.05016	2.6
122.03758	5.7
128.78290	0.9
135.04555	13.9
136.05219	0.9
149.06020	1.1
159.04541	4.3
161.02461	8.7
162.06876	1.0
172.05275	2.8
173.06119	7.3
175.07678	5.0
176.04808	1.3
187.07701	4.5
188.08441	100.0
189.08849	7.2
213.09210	1.6
225.09206	2.2
227.10779	1.3
239.10780	1.6
240.32967	1.0
257.15454	0.9
325.18512	1.5
325.22116	1.1
327.29102	2.8
347.20190	1.5
351.23303	26.4
352.23602	3.6
365.21237	1.4
379.08127	1.5
391.19052	2.6
391.26422	8.0
392.26999	1.1
394.24796	1.1
409.12979	7.5
409.20129	12.6
409.27475	29.2
410.20493	2.2
410.28040	5.5
428.02335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
67.51051	0.5
77.56242	0.4
78.95901	3.1
96.59056	0.6
98.19857	1.1
103.79436	0.5
107.05028	1.2
108.02113	0.6
122.03753	6.4
123.04548	0.6
131.92207	0.6
133.02975	0.9
135.04544	15.7
136.05002	0.7
142.92795	0.5
145.02965	1.1
148.05345	1.0
152.99602	3.4
159.04527	3.7
161.02467	3.9
164.94675	0.5
167.87344	0.5
172.05289	1.8
173.06082	8.3
174.06770	0.5
175.07658	2.6
176.04826	0.5
177.01958	1.8
187.03964	0.8
187.07639	3.1
188.08438	100.0
189.08844	8.4
199.07687	0.7
201.05606	0.9
205.01431	13.0
206.01860	0.5
213.09221	2.3
225.09184	0.9
239.10559	0.7
241.12445	0.7
241.15616	0.7
241.21895	0.8
271.17099	1.3
277.15891	0.6
283.16925	2.8
339.23227	2.8
351.23364	0.6
365.21176	0.6
379.08334	0.6
391.19159	1.0
391.26523	1.8
394.10550	0.5
394.25049	1.2
409.12915	2.1
409.20248	9.8
409.27518	50.0
410.20334	1.0
410.27832	9.4
432.64398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
57.03453	3.3
59.01387	84.5
60.01732	1.0
61.98824	1.1
63.18684	0.7
69.03454	0.8
70.48502	1.5
70.48871	1.2
71.01389	20.6
72.99314	0.8
73.02956	11.0
75.00876	1.2
77.20725	0.6
78.19070	0.7
82.40008	0.7
83.01396	6.8
85.02958	11.3
87.00885	2.3
89.02453	5.2
95.01398	1.6
99.00903	3.0
99.04538	1.8
101.02454	23.4
107.93167	0.6
111.00874	1.4
113.02473	10.4
117.05599	5.4
119.03544	1.1
125.02481	1.6
129.01979	1.0
131.03557	0.8
141.01997	0.8
142.30986	0.7
159.03009	2.3
159.06668	1.4
159.10294	0.8
161.04584	4.2
167.03519	2.7
187.13466	2.7
212.38014	0.7
265.13199	1.6
267.07233	2.5
277.12848	0.8
297.96887	0.7
349.18716	11.1
350.19223	1.1
366.97629	0.8
391.19711	5.0
393.86847	0.7
409.20920	100.0
410.21207	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	409.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.8
66.91415	0.5
67.01888	0.9
69.34392	3.0
69.34805	1.2
71.01364	2.1
72.37306	0.5
73.02943	3.4
76.82616	0.5
84.07340	0.5
99.37147	0.5
103.03988	0.9
107.05037	1.1
131.03510	3.3
135.04561	2.5
142.30148	0.5
147.62907	0.5
161.02446	2.3
171.07899	0.6
172.05257	0.5
175.07631	2.1
181.01521	0.5
182.23152	0.5
188.08371	0.7
209.48134	0.6
212.08333	0.6
213.09163	1.1
225.09251	3.2
226.09834	0.8
227.10800	1.8
233.22792	0.7
239.10751	3.1
241.21733	0.5
277.21738	100.0
278.22098	12.1
347.20041	2.4
365.21231	1.5
379.07919	0.7
391.19205	1.8
409.13107	2.2
409.20200	22.8
409.25363	1.1
409.48065	0.5
410.20547	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	409.2025
Annotation	andilesin B
Peak:m/z	Relative Intensity
52.74504	0.3
59.01372	0.3
69.96154	1.4
81.45237	0.4
93.03465	0.5
107.05033	1.0
108.02178	0.3
121.02962	1.1
122.03735	0.7
134.03737	3.4
135.04559	3.7
137.02438	1.0
149.02449	2.7
161.02443	1.4
171.08224	0.5
183.08092	0.3
212.08495	0.4
213.09262	4.6
214.09546	0.7
225.09229	42.0
226.09761	5.8
227.10680	1.0
269.08118	1.2
309.18579	2.3
327.47366	0.3
347.20459	0.5
365.21222	100.0
366.21548	14.8
379.08435	0.4
409.20218	65.6
410.20563	11.3
410.26038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40300	0.6
55.01886	1.6
56.10076	0.6
57.03448	2.5
59.01386	84.0
59.61398	0.6
59.86504	0.6
60.01724	0.9
61.43328	0.6
61.98834	0.9
63.47979	0.6
69.73932	1.3
69.74339	3.0
70.78426	0.6
71.01389	17.2
72.99326	1.1
73.02956	8.7
75.00895	0.9
83.01397	5.8
85.02959	9.7
87.00915	1.7
89.02473	3.2
95.01423	1.6
97.02949	0.9
99.00894	2.8
99.04548	1.2
101.02454	18.4
102.02821	0.7
111.00927	2.7
113.02456	8.0
117.05606	2.2
119.03554	1.3
125.02457	0.9
129.33952	0.8
143.03584	0.9
159.03090	1.5
161.04617	3.3
187.13435	2.1
219.08842	0.6
229.14481	1.0
307.92740	0.6
349.18665	9.2
350.19086	1.4
381.96552	0.6
382.60968	0.7
391.19821	5.5
409.20856	100.0
410.21198	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	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66488	0.5
59.01386	100.0
60.01740	0.9
70.83188	1.4
71.01383	2.6
73.02974	1.5
75.83467	0.6
83.01397	0.5
85.02970	1.2
87.00917	0.5
89.02467	1.5
91.35627	0.5
101.02506	1.1
103.04034	0.6
106.30703	0.5
111.00940	0.6
113.02477	1.1
116.05086	1.1
117.05413	0.5
119.03591	0.6
136.11539	0.5
149.04604	2.0
161.04659	0.6
186.05675	1.0
187.05942	1.5
202.88400	0.5
203.10809	1.0
249.11418	0.8
349.18710	1.0
409.24655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2024
Annotation	andilesin B
Peak:m/z	Relative Intensity
59.01385	3.2
70.62941	1.0
70.63314	1.0
81.03484	1.0
83.05031	1.3
91.01948	0.5
93.03473	0.7
96.96073	0.7
104.35534	0.5
107.05059	3.7
107.10389	0.5
119.05049	1.1
121.10226	0.4
122.03740	3.3
125.02426	0.6
133.03000	1.2
134.03693	0.6
135.04547	13.9
136.01559	0.6
136.04980	0.4
137.02434	0.9
137.09724	1.4
141.65186	0.5
149.02460	1.7
155.77919	0.5
157.06575	0.6
159.04549	0.6
161.02458	9.0
163.00401	0.6
169.10242	0.5
171.08157	1.9
175.04054	0.6
175.07658	0.7
176.04756	1.1
179.03590	0.6
187.00444	0.6
189.01979	0.8
191.96733	0.5
212.08412	1.1
213.09235	35.7
214.09599	2.5
217.05127	1.2
225.09225	17.4
226.09978	11.4
227.10751	4.7
264.61313	0.5
265.16357	0.6
269.08240	1.4
281.15442	1.0
297.04099	0.6
309.18625	19.3
310.19037	2.2
321.18686	2.1
327.05124	0.7
333.07895	0.9
335.20157	1.1
337.07141	0.6
345.18579	1.3
347.16275	0.7
347.20178	8.6
348.20554	1.8
351.08548	1.3
365.21228	56.0
366.21579	8.4
376.08838	0.6
379.08218	1.9
381.12527	1.4
391.14932	0.6
391.19269	6.0
392.19489	1.3
394.10461	2.0
409.13089	7.6
409.20242	100.0
410.20557	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	409.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89333	0.6
55.01895	1.3
70.72620	1.9
77.03983	0.7
82.46578	0.7
85.06596	0.9
87.80673	0.7
92.59264	0.6
93.03493	1.1
95.05045	0.8
105.03477	2.7
107.05022	3.5
119.05048	0.7
122.03736	1.4
135.04526	5.3
136.05318	17.1
137.02394	0.7
147.04480	0.7
151.04039	0.8
169.06429	0.6
171.08157	2.1
175.07742	1.3
175.11316	0.8
183.08177	2.3
197.09700	0.7
208.08490	0.6
209.09746	1.2
213.09247	2.5
225.09242	14.9
226.09868	5.0
227.10793	48.7
228.11101	4.0
237.09225	3.6
238.09996	1.5
251.07059	2.3
253.08691	2.6
255.10257	6.1
263.10580	0.9
270.08850	1.0
277.12289	0.6
345.18542	1.2
347.20108	7.8
365.21304	1.1
373.17972	5.5
391.19104	8.8
392.19690	1.5
409.20215	100.0
410.20560	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	409.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02663	0.3
60.81776	0.3
69.25903	1.4
69.26333	1.4
74.93124	0.3
78.95921	0.4
83.05005	0.8
98.19947	0.8
107.05026	2.6
118.02086	0.3
119.05019	0.4
122.03750	3.2
123.27961	0.3
135.04544	12.7
136.05316	0.8
137.09708	0.9
147.11778	0.3
149.02451	0.4
149.91891	0.3
152.99561	0.3
156.29712	0.3
161.02431	1.0
169.10283	0.8
171.08116	1.6
175.07637	0.6
211.07510	0.4
212.08467	0.5
213.09221	31.2
214.09584	2.2
218.13103	0.5
225.09238	9.3
226.09967	9.7
227.10793	4.7
237.09207	0.6
261.21753	0.4
281.15680	0.6
295.20621	0.4
303.13919	0.7
309.18610	16.1
310.18866	2.1
321.18634	1.1
335.20163	0.5
345.18683	1.2
347.20178	9.3
348.20496	1.2
365.21207	12.9
366.21497	1.8
388.94855	0.4
391.19141	1.8
409.20215	100.0
410.20547	17.1
410.26071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01749	0.4
55.43772	0.5
64.47739	0.4
67.01898	8.6
69.21418	3.0
69.21841	1.9
79.67558	0.5
105.35844	0.5
107.05051	2.6
120.34628	0.5
121.02977	0.6
122.03763	1.3
134.03758	1.3
135.04536	6.3
136.05275	1.0
145.83466	0.6
147.04448	1.0
148.05290	4.2
149.02444	1.0
161.02432	0.8
171.08134	1.2
173.06064	1.7
175.11351	0.7
181.10214	0.7
195.11815	2.6
213.09198	3.6
225.09227	23.8
226.09950	8.2
227.10757	5.0
237.09200	4.6
238.09944	2.5
239.10788	39.0
240.11118	4.2
263.10635	2.8
265.12280	1.6
269.08154	3.1
277.12350	2.4
278.12820	0.8
296.10757	0.6
303.27234	0.6
345.18573	2.6
347.20148	16.8
348.20624	2.5
365.21234	3.9
366.21768	0.9
376.23431	0.6
409.20212	100.0
410.20547	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	409.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66913	1.0
69.22471	6.3
69.22888	3.7
70.37201	0.9
81.03439	1.6
93.03461	5.8
106.04239	1.3
107.05073	2.2
108.02184	2.6
109.02936	1.6
119.05052	1.3
121.02979	6.6
122.03730	7.7
122.32491	1.0
123.04508	3.1
133.02956	1.9
134.03773	1.6
135.04550	10.3
137.06041	1.1
147.04498	1.8
148.01666	6.5
148.05214	1.4
149.02455	5.8
150.03249	1.8
151.04013	2.1
161.02480	16.3
162.03195	2.9
163.04039	8.8
173.06041	1.9
174.03232	13.7
175.07620	3.6
177.12820	1.9
184.05272	4.0
187.07634	3.7
188.08528	1.1
189.09215	5.8
191.03548	2.0
200.38129	1.0
201.05608	1.5
203.07156	4.5
205.08717	1.3
215.07166	7.8
216.07930	1.6
231.17604	2.8
233.08284	2.2
239.07161	2.6
240.07864	1.6
241.16010	1.7
245.13045	1.9
245.15482	34.6
246.15802	3.8
254.05916	1.6
257.15442	7.3
258.16022	1.7
259.14426	1.5
259.17001	11.1
273.14999	3.3
284.14200	12.6
285.14981	45.4
286.15347	6.1
302.15298	1.4
303.16037	67.1
304.16351	9.8
347.20471	1.2
363.19781	6.2
365.21140	5.1
391.14059	2.1
391.19202	42.5
392.19482	7.3
409.20218	100.0
410.20523	18.9
426.43793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12341	0.3
67.01897	26.3
68.02221	0.6
70.72410	0.7
91.05529	0.8
103.85897	0.3
107.05048	0.8
117.07115	0.5
134.03839	0.4
134.18898	0.4
135.04558	3.2
136.04875	1.4
137.04973	0.5
148.05325	11.5
149.05661	0.8
151.04086	0.5
161.02419	0.6
163.03961	1.4
171.08224	1.9
179.08711	0.5
181.78976	0.4
195.11784	6.0
196.12177	0.5
197.09737	0.5
209.66190	0.4
213.09251	0.5
225.09201	3.8
226.09920	1.1
237.09267	1.1
239.10797	100.0
240.11130	10.8
290.15152	0.4
347.20184	2.0
365.21210	2.2
400.34534	0.4
409.20227	88.6
410.20621	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	409.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
58.20186	0.5
71.31250	0.7
77.03978	0.5
95.05040	1.0
105.03455	1.5
107.05051	2.3
108.12781	0.4
122.03762	0.7
135.04539	3.9
136.05307	15.4
137.05663	0.9
139.04005	0.6
147.04550	0.6
161.02356	0.8
166.99687	0.4
171.08130	1.1
173.06058	0.6
173.49974	0.5
179.03436	0.5
181.10257	1.1
183.08145	2.1
209.09750	1.0
213.09207	1.5
223.11377	0.6
225.09206	9.7
226.09943	3.6
227.10791	45.7
228.11110	4.6
237.09254	2.2
238.09956	0.6
238.13762	0.5
251.07109	1.0
252.07808	0.9
253.08688	1.7
263.10715	0.8
269.08350	1.2
270.08896	1.0
271.09485	0.5
285.14960	0.5
299.56519	0.4
303.15958	1.5
323.95554	0.4
329.19165	0.8
345.18567	0.6
347.20193	5.5
348.20523	1.7
365.21295	0.9
373.18146	3.2
378.61880	0.5
391.19128	7.6
392.19452	0.9
409.20218	100.0
410.20547	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	409.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50668	0.6
70.85045	1.4
76.23158	0.5
85.95391	0.5
88.64927	0.5
107.05034	5.6
109.14996	0.7
119.05049	1.4
122.03752	4.4
135.04543	13.9
137.09740	0.8
147.74464	0.6
149.05997	0.6
169.10201	0.7
171.08162	2.4
173.32617	0.6
175.07669	2.2
195.08215	0.8
197.09714	1.1
211.11313	0.7
212.08513	0.8
213.09245	18.0
213.11191	1.2
214.09641	1.5
225.09229	7.7
226.09996	7.6
227.10660	2.5
241.12280	1.0
243.13847	0.8
251.07129	0.9
265.16006	1.6
291.17621	2.3
303.17450	1.0
309.18579	9.5
310.18854	0.9
321.18640	3.2
331.17130	0.8
345.18607	1.2
347.20239	6.2
365.21191	4.3
391.19186	35.5
392.19522	5.4
409.20227	100.0
409.99393	0.7
410.20599	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	409.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	0.5
62.58729	0.5
69.45185	0.4
70.72514	0.9
74.59729	0.4
78.43768	0.5
81.90507	0.4
107.05019	1.8
109.06575	0.8
109.90336	0.5
122.03714	0.8
122.76118	0.6
134.03784	3.0
135.04553	5.6
135.91513	0.4
137.02434	0.7
149.02423	2.1
171.08195	0.5
183.00484	0.5
183.08087	0.5
196.52806	0.5
213.09232	4.4
214.09581	0.5
225.09235	41.0
226.09776	5.0
227.10616	0.6
237.12903	0.6
281.15469	4.1
307.13367	4.3
309.18475	1.2
325.14487	10.9
347.19998	0.6
365.21228	62.7
366.21588	8.8
391.19101	1.8
394.05057	0.6
409.20233	100.0
410.20563	15.7
414.15256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22533	0.5
60.44650	0.4
71.00558	0.9
83.05035	4.3
91.05540	1.2
93.03475	1.0
95.05032	0.8
100.01362	0.4
106.04282	1.1
107.05037	8.1
119.05045	1.4
121.02940	0.7
122.03802	1.1
123.08194	1.6
129.07178	0.4
135.04539	21.6
136.04797	1.0
143.05084	0.7
145.06609	1.0
149.02419	0.9
149.06075	1.1
157.06604	1.9
171.08130	1.4
173.02467	0.5
173.09773	1.4
175.07713	0.5
183.08131	0.7
185.09729	0.7
201.09291	0.5
211.11282	1.1
212.08508	0.8
213.09280	4.9
225.09235	10.3
226.09996	11.2
227.10667	1.5
237.09215	1.4
239.10767	1.0
247.11337	0.8
249.12781	0.8
251.06902	0.6
251.14420	3.6
263.14438	1.8
265.08752	4.8
277.16003	4.4
295.17059	13.2
296.17416	1.1
320.14194	0.5
321.15091	1.1
321.18570	4.1
347.20374	2.3
356.21698	0.5
365.21204	12.0
366.21698	0.9
391.19193	55.5
392.19492	8.7
409.20227	100.0
410.20551	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	409.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37512	3.6
57.17592	3.6
59.01387	100.0
61.98792	4.1
64.07131	3.5
69.38303	25.5
71.01395	9.8
73.02964	3.7
74.02491	4.6
85.02965	4.7
89.02454	6.2
94.44676	3.7
96.39844	3.4
99.71526	3.8
101.02436	6.2
113.02462	6.4
116.05090	8.5
128.03600	6.0
137.02411	5.5
151.00356	4.6
203.08383	6.4
205.12270	13.9
206.04726	6.4
215.48911	3.9
245.09311	13.9
409.12961	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	409.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54349	0.5
69.36019	2.9
69.36424	1.3
93.03473	2.2
98.20727	1.0
104.97733	0.6
106.04301	0.7
107.05030	8.8
119.05024	0.9
121.02953	0.9
122.03717	1.1
134.03743	2.0
135.04539	17.4
135.08185	1.1
136.04860	0.8
137.02440	0.7
143.05063	0.7
149.02449	1.3
157.06606	2.1
159.08148	0.6
161.02457	1.5
166.42494	0.5
166.44072	0.6
169.06529	0.8
171.08174	0.8
173.06114	2.0
175.07655	1.2
175.11343	0.6
180.82654	0.6
183.08153	2.5
195.08191	1.6
197.09708	0.9
198.10280	0.5
201.05652	1.6
211.07661	5.0
212.08421	3.9
213.09192	6.1
214.09572	0.6
225.09225	33.5
226.09897	10.1
227.10466	1.2
237.09241	7.5
238.09854	3.2
239.10703	1.1
247.11220	0.7
251.07162	0.8
256.07394	3.7
257.07574	0.7
263.07211	1.4
263.10815	2.4
263.14465	1.8
265.12341	3.3
266.12637	0.7
269.08173	1.5
277.12424	0.6
279.14120	1.4
281.08167	1.2
287.14392	1.3
291.10358	3.8
291.13174	0.6
292.10971	2.4
305.11856	2.2
306.12076	0.7
307.17084	10.9
308.17346	2.3
321.18610	1.3
323.12787	0.7
329.19305	1.1
331.13562	0.9
345.18625	1.6
347.20178	15.9
348.20499	2.2
365.21106	5.3
373.18027	7.9
374.18536	1.2
391.19199	24.5
392.19376	3.6
409.20218	100.0
410.20578	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	409.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25507	1.2
52.87928	1.3
55.01884	2.6
57.03454	99.7
58.03782	2.9
59.01384	100.0
60.01730	1.8
69.88718	6.8
71.01388	31.1
73.02958	13.8
75.87948	1.2
83.01393	5.2
85.02959	14.9
87.04523	1.6
88.29149	1.2
89.02467	8.7
95.01384	2.8
96.10375	1.2
97.02946	1.7
98.20589	1.1
99.00879	5.1
99.04530	79.1
100.04855	2.3
101.02450	42.6
101.06074	1.7
102.02791	1.8
111.00903	1.8
113.02470	15.7
119.03484	1.9
125.02466	33.2
143.03407	2.9
145.08713	1.4
159.02986	3.6
161.04562	15.1
247.11864	3.5
259.06686	1.3
265.10071	3.0
265.12939	60.0
266.13242	3.5
307.13950	11.5
409.12042	1.9
409.16949	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	409.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25507	1.2
52.87928	1.3
55.01884	2.6
57.03454	99.7
58.03782	2.9
59.01384	100.0
60.01730	1.8
69.88718	6.8
71.01388	31.1
73.02958	13.8
75.87948	1.2
83.01393	5.2
85.02959	14.9
87.04523	1.6
88.29149	1.2
89.02467	8.7
95.01384	2.8
96.10375	1.2
97.02946	1.7
98.20589	1.1
99.00879	5.1
99.04530	79.1
100.04855	2.3
101.02450	42.6
101.06074	1.7
102.02791	1.8
111.00903	1.8
113.02470	15.7
119.03484	1.9
125.02466	33.2
143.03407	2.9
145.08713	1.4
159.02986	3.6
161.04562	15.1
247.11864	3.5
259.06686	1.3
265.10071	3.0
265.12939	60.0
266.13242	3.5
307.13950	11.5
409.12042	1.9
409.16949	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	409.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	5.4
68.99809	2.8
69.36574	4.5
69.36987	1.2
79.05544	1.3
85.49327	0.6
85.83323	0.6
98.19894	1.4
103.05545	2.3
105.07108	2.8
107.05035	7.3
114.18024	0.7
121.02927	1.1
129.07094	1.1
131.05063	5.7
133.02898	0.8
145.06668	0.8
147.08228	1.8
149.06116	9.0
157.37543	0.7
161.02452	12.4
163.00360	2.1
163.04076	1.1
172.05295	1.0
173.06062	9.0
175.00322	1.0
175.04042	5.5
175.05273	0.8
178.02705	0.9
187.00291	1.0
189.05548	4.0
190.06313	4.2
191.07138	4.2
201.02019	0.9
203.03481	3.8
203.07149	1.0
217.05061	26.6
218.05803	4.1
223.07799	1.0
225.09293	1.0
227.03555	1.3
229.01410	2.4
244.03740	2.4
256.07327	1.0
291.10379	0.8
293.08136	0.9
307.09805	2.4
320.06946	0.7
333.07782	1.8
335.09280	4.5
350.11441	0.8
351.08847	2.0
361.07181	4.4
362.07718	1.1
365.21100	1.5
379.08246	28.2
380.08658	2.9
391.19003	2.1
393.09546	0.8
394.10632	8.1
395.10873	1.4
409.12939	100.0
409.19543	6.6
410.13287	12.9
410.19455	1.1
410.20505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97003	1.1
55.01880	1.2
57.03440	1.9
57.36948	1.0
58.00598	2.1
59.01383	55.1
61.98833	4.7
71.01389	43.5
71.54632	1.0
72.99314	3.5
73.02956	12.9
75.00850	2.4
81.03461	1.3
83.01383	3.8
83.01832	1.1
85.02964	9.4
87.00880	3.0
89.02454	54.8
93.03465	3.4
95.01402	2.7
96.96008	4.2
97.02979	1.7
99.00887	14.4
101.02454	29.1
109.02959	1.1
113.02472	11.1
119.03494	4.7
121.02951	3.7
122.03754	7.2
123.04523	1.8
125.02433	4.3
130.87636	1.2
131.03517	8.7
133.02924	1.4
136.01642	2.4
136.37207	1.2
137.02441	1.7
143.03481	1.8
149.02466	39.3
149.04532	24.5
150.03239	64.8
151.03806	3.8
161.04562	7.4
164.04782	10.0
165.05580	100.0
166.05922	4.5
167.07126	1.3
173.13686	1.1
180.04300	2.6
191.05583	6.7
195.06630	23.1
213.07655	1.5
214.78316	1.2
277.12936	15.4
285.07690	4.2
286.08469	7.1
301.10867	15.5
302.11212	1.2
315.40958	1.1
349.14902	3.1
361.12936	40.9
362.13159	4.3
409.07773	2.7
409.17255	21.2
410.17316	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	409.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	3.8
70.72308	0.6
77.48215	0.2
79.05539	3.3
93.03472	0.4
107.05043	19.9
108.05395	0.8
116.60648	0.3
120.29592	0.3
122.03748	0.4
129.07101	0.4
130.04260	1.0
131.08655	2.2
133.06595	0.9
133.14944	0.3
134.03745	0.7
135.04541	1.0
136.62877	0.3
148.01654	0.4
148.05292	1.4
149.02480	0.7
150.81532	0.3
157.06624	1.2
159.04521	3.3
160.05324	2.3
162.03246	0.3
171.08054	0.4
173.06122	0.6
175.07658	100.0
176.08011	6.7
177.01834	0.3
181.10310	0.6
192.04294	0.4
195.10242	0.3
195.11850	0.8
197.09677	0.3
204.00720	0.4
213.09213	0.6
221.09729	0.8
225.09251	6.3
226.09831	1.1
227.10767	1.0
237.09302	1.0
239.10802	12.7
240.11127	1.7
263.10962	0.6
265.08713	0.9
269.08234	2.3
270.08548	0.4
277.12341	0.3
283.09811	3.5
284.10202	0.3
303.17688	0.3
305.25806	0.3
307.09979	0.3
325.81461	0.3
335.09271	2.6
336.09753	0.6
345.18451	0.4
347.20181	3.2
348.20560	0.7
350.11667	0.6
351.08575	0.3
365.14117	0.8
365.21201	5.2
366.21548	1.1
373.18124	0.5
391.19165	2.9
392.19308	0.6
409.13010	5.7
409.20206	12.4
410.13416	1.1
410.20544	2.3
434.56857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1296
Annotation	Cilinaphthalide B
Peak:m/z	Relative Intensity
65.49098	0.5
69.30270	3.9
80.87709	0.5
91.32782	0.5
91.54290	0.5
94.73564	0.5
96.64832	0.5
105.03512	0.5
107.04983	0.6
113.10488	0.5
133.02985	8.1
157.05551	0.5
161.02460	100.0
162.02815	4.9
163.00444	0.9
173.06071	3.9
175.04094	0.7
175.07545	0.7
176.04803	15.3
177.05139	0.7
187.00375	0.9
188.04782	1.1
191.07156	3.6
206.05847	3.3
289.08884	0.6
321.04129	0.8
333.07516	1.8
335.09299	1.5
337.07120	0.9
351.08643	1.4
352.09424	0.7
361.07190	1.8
367.11557	0.6
376.09412	1.1
379.08279	18.4
380.08487	2.7
388.42572	0.6
394.10620	10.8
395.10840	0.8
409.12946	59.8
410.13278	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	409.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23375	0.3
52.29506	0.3
56.09040	0.3
65.03984	0.3
69.96301	1.6
71.10530	0.3
77.17839	0.3
79.05539	4.2
80.67625	0.3
93.03465	0.4
95.08639	0.3
98.20567	0.5
105.07092	0.4
107.05043	23.7
108.05383	1.0
109.46149	0.3
122.03759	0.7
131.08678	1.8
133.06564	1.2
135.04541	2.1
147.08145	0.5
148.01686	0.4
149.02502	0.5
157.06586	1.6
159.04538	4.6
160.05319	2.2
173.06131	0.4
175.07664	100.0
176.08009	6.8
181.59233	0.3
184.50383	0.3
192.04305	0.6
204.00635	0.4
207.06686	0.3
213.09233	7.3
214.09560	0.6
217.05086	0.4
225.09164	2.0
226.09975	1.9
227.10783	1.1
265.67316	0.4
309.18549	3.1
310.18835	1.0
323.93179	0.4
335.09305	2.4
347.20010	2.5
350.11621	0.6
365.14182	0.7
365.21216	4.8
366.21661	0.7
391.19290	1.9
409.12994	7.2
409.20190	17.5
410.13477	1.3
410.20456	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00299	0.4
67.01888	1.5
69.52146	2.1
69.52556	1.0
75.55856	0.4
84.34387	0.4
84.76691	0.5
93.97459	0.5
98.19903	0.9
107.05010	0.4
108.02132	0.7
117.07074	0.6
121.02901	0.7
123.04536	3.1
130.04230	5.8
133.02943	0.6
133.06607	0.6
136.01605	0.9
145.06609	5.2
145.86494	0.6
147.04503	1.2
148.01648	1.5
149.02437	0.7
158.03748	9.6
159.04416	0.5
161.02484	4.1
161.06094	0.8
162.03162	0.5
162.18805	0.5
163.00354	0.7
163.04028	0.5
172.05301	4.5
173.02518	0.5
173.06088	10.1
174.03192	1.2
175.03993	2.0
177.05563	0.9
187.03964	0.4
189.05598	3.1
199.04001	0.6
201.05563	0.7
203.03476	1.2
215.03564	1.0
217.05064	53.3
218.05435	3.4
229.05081	0.6
235.06065	6.7
236.06479	0.7
243.06566	4.4
258.20084	0.5
308.03302	0.7
319.69196	0.5
325.07184	1.8
351.08762	1.4
361.06836	0.5
365.10272	1.9
366.10892	0.6
379.08243	13.4
380.08521	1.7
393.09863	2.0
394.10620	6.2
395.11096	0.8
409.12933	100.0
410.13275	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	409.1295
Annotation	Sumatrol
Peak:m/z	Relative Intensity
59.43075	0.7
63.78769	0.7
69.19545	4.1
69.19966	3.0
93.03437	0.8
94.25642	0.6
98.20686	1.6
123.00755	0.7
127.70804	0.8
130.04268	1.7
130.70163	0.6
133.02969	6.4
136.01669	1.0
138.20363	0.7
142.16298	0.8
145.06584	2.0
149.02516	1.2
158.03761	1.3
159.04512	2.9
161.02454	61.3
162.02800	3.5
163.00319	1.1
163.07642	2.2
173.06104	4.7
174.03271	0.9
175.04031	2.9
176.04802	5.7
177.01942	1.6
187.00357	1.4
187.03943	1.2
189.05540	3.4
191.07231	3.5
201.05533	1.3
213.51733	0.7
217.05083	7.3
218.05800	2.0
226.68216	0.7
311.05594	1.6
321.03540	0.9
322.04822	1.8
323.09372	0.9
325.07034	0.7
333.07874	0.8
335.09439	1.4
337.07190	7.4
338.07526	0.8
351.08704	4.0
352.09381	1.3
361.07196	1.8
366.11005	1.9
376.09717	1.7
379.08221	12.9
379.12650	1.1
380.08630	1.3
381.13477	3.3
391.12012	3.2
393.09811	0.9
394.10596	22.4
395.11081	1.4
409.12933	100.0
410.13297	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	409.116
Annotation	Aloenin
Peak:m/z	Relative Intensity
57.03465	0.9
59.01387	11.0
61.01036	2.0
68.99826	1.5
69.03458	2.2
69.36947	4.6
69.37373	2.5
71.01394	5.5
72.99311	4.8
73.02959	2.5
75.00880	11.6
75.02611	2.5
83.01403	2.9
83.05042	0.9
84.99329	1.3
85.01022	4.8
85.02970	1.9
87.00893	2.5
88.04046	3.4
89.02448	2.0
99.00911	4.7
99.02618	1.2
99.04630	0.8
101.02433	2.1
101.06111	1.2
103.00392	3.3
111.00900	1.3
112.98825	10.8
113.00546	1.5
113.02470	2.5
113.04179	0.9
114.01347	0.9
114.98495	1.5
115.00391	1.8
115.02098	12.5
124.98854	1.8
127.02124	2.0
129.02054	0.9
129.03722	2.3
130.05122	2.1
131.03493	0.8
142.99875	2.4
143.01610	0.9
145.01497	5.2
145.03197	1.8
145.05098	1.8
154.99911	1.1
157.01419	2.4
159.04790	1.0
160.06189	3.3
163.06129	1.9
171.01074	3.8
171.04710	1.5
173.01036	1.3
173.02623	1.1
189.05780	13.3
190.04132	1.2
203.07335	6.6
231.03162	1.2
231.06825	4.4
233.04836	2.4
242.45332	0.9
249.06227	3.1
261.04276	6.3
262.06345	1.4
263.05841	9.4
267.07248	1.5
273.07999	3.2
302.88751	0.8
317.06989	3.2
377.09122	2.3
380.12039	1.2
409.11761	100.0
410.12622	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	409.0929
Annotation	Gossypidien
Peak:m/z	Relative Intensity
58.60298	1.0
59.01388	8.6
60.73552	1.0
61.98832	1.2
67.01882	1.7
69.03443	1.0
69.74766	5.1
79.05530	0.9
96.95989	1.4
99.62854	1.0
107.04991	1.1
108.02150	4.7
108.76337	1.3
110.00095	18.6
125.02430	1.3
130.04219	1.3
136.01663	8.0
137.10799	1.1
137.99594	8.9
140.63997	1.2
153.01950	100.0
154.02283	4.9
156.05803	1.1
157.06584	5.9
161.02457	10.4
163.00317	1.1
164.01149	4.9
171.04482	2.5
171.08035	2.5
172.05208	3.3
173.06020	1.9
175.07579	3.4
177.74130	1.1
179.03525	29.5
180.03799	2.4
185.05931	3.1
187.07707	4.9
188.01073	1.5
192.00740	1.2
198.03166	1.2
199.03877	3.9
199.07536	1.5
200.04803	4.9
201.05435	3.2
203.07016	2.3
212.33502	1.2
213.05457	1.8
215.07013	1.8
226.02592	2.8
227.06975	3.0
239.03419	1.1
241.05083	13.8
243.06647	44.7
244.06868	2.9
254.05792	1.3
255.04124	1.6
255.06619	27.2
256.06876	2.7
282.05154	4.5
297.03900	10.8
297.07486	4.3
311.05582	1.0
312.06433	16.5
313.06607	1.7
327.08780	22.6
328.08707	2.0
333.74487	1.0
379.08215	1.9
394.10556	2.3
409.03818	2.4
409.09003	49.6
409.29205	4.7
410.09418	6.0
429.12189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2229
Annotation	NIMBOCINOL
Peak:m/z	Relative Intensity
60.86647	0.7
69.27511	4.0
69.27945	2.3
79.05544	1.3
79.17589	0.7
89.51270	0.7
98.00277	0.7
107.05039	6.9
113.40887	0.6
119.05029	0.9
121.02971	0.9
134.03735	2.8
135.04523	2.6
135.81799	0.7
149.02460	1.2
149.06075	2.8
173.06029	1.4
188.08440	3.4
191.78336	0.7
225.09225	56.3
226.09775	7.7
237.09209	2.9
239.10837	5.6
241.12335	1.8
265.12454	0.7
279.13916	31.3
280.14246	3.5
293.15329	1.0
307.13611	0.8
323.12781	2.0
363.18631	1.2
363.23312	38.0
364.23563	5.5
407.22296	100.0
408.22672	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	409.0237
Annotation	Eupalitin 3-O-sulfate
Peak:m/z	Relative Intensity
59.01402	0.9
61.85825	0.4
71.01391	3.0
71.55091	0.8
72.03859	0.4
73.49641	0.4
109.03006	0.8
112.03808	0.4
114.77537	0.5
115.00438	1.9
118.27435	0.4
121.03001	0.5
133.01459	1.2
133.03044	1.8
134.03764	5.3
135.04565	1.8
137.02458	0.7
149.99763	0.5
161.99651	1.4
163.00429	0.9
171.04596	1.7
177.01920	2.1
178.02756	3.0
179.03571	1.4
183.04604	1.3
187.04065	1.1
189.99153	0.6
198.03397	0.5
199.04019	4.6
200.04460	0.5
215.03439	2.2
227.03513	7.5
228.03918	0.6
228.41599	0.5
229.01523	1.3
242.02321	0.5
243.03026	5.8
244.03395	0.6
253.01596	0.6
255.02983	7.1
256.03412	0.6
271.02505	15.7
272.02829	1.4
275.09229	1.8
282.01724	1.1
293.10403	3.7
296.03189	0.9
297.00439	0.9
298.01019	0.7
299.01990	39.0
300.02365	3.9
314.04349	72.6
315.04642	7.5
329.06680	100.0
330.07040	10.4
330.10892	0.3
409.02463	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	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
59.01386	100.0
60.01732	1.6
69.69117	0.6
71.01409	3.6
71.55261	0.9
73.02957	2.0
85.02972	2.3
87.00881	0.9
87.04520	2.1
89.02451	4.8
95.01413	0.7
99.00883	1.1
101.02424	3.4
105.54723	0.6
107.23085	0.9
113.02455	2.3
119.03484	1.7
131.51460	0.6
133.05559	0.6
149.09697	1.9
149.76161	0.6
155.10811	0.8
161.04596	1.0
167.10800	1.5
171.10173	0.7
203.12843	1.7
213.15048	0.7
275.18341	0.7
365.18311	1.5
389.25412	2.3
407.18939	4.4
407.26559	26.8
408.27103	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	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01614	0.6
56.74355	0.7
57.03445	2.0
59.01385	100.0
59.06189	0.6
60.01735	1.2
69.86082	4.4
71.01385	7.4
71.05017	0.8
72.99316	0.9
73.02948	5.1
75.00893	1.4
82.02998	0.9
83.05064	0.7
85.02974	3.1
85.06589	0.8
87.00887	1.5
89.02471	4.5
99.00897	1.0
101.02462	5.6
105.47511	0.8
113.02508	3.4
113.12504	0.8
119.03518	1.6
120.80471	0.7
139.07750	1.0
157.08766	0.8
159.10312	2.7
161.04605	1.7
186.05672	0.9
187.87772	0.8
217.06323	0.8
231.07878	0.9
244.04836	0.9
249.06175	0.8
257.05704	1.1
257.10208	0.8
259.07349	3.2
266.31161	0.8
271.07388	2.0
287.10394	5.8
291.09921	0.8
305.16330	1.0
313.08307	7.4
331.09235	3.5
347.17288	2.9
365.18228	1.6
375.08713	0.7
379.91452	0.7
407.11185	3.2
407.18958	3.4
407.26947	6.9
408.11572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19876	0.7
57.45940	0.7
67.01896	14.9
71.18102	1.4
73.74854	0.6
118.04227	0.6
153.07085	0.9
153.64574	0.7
162.14072	0.6
164.95827	0.8
169.06577	2.1
175.11365	1.3
179.08647	2.6
192.37819	0.7
193.10234	3.1
196.08850	0.8
211.07632	6.0
218.01396	0.6
223.07655	52.7
224.08270	10.2
225.09215	7.8
235.07643	13.0
236.08083	1.0
237.09221	35.4
238.09554	2.9
252.05232	0.7
256.07385	1.6
261.09235	2.9
262.09653	1.1
263.10773	1.6
267.06723	1.0
275.10818	5.9
276.11276	0.9
277.12164	0.8
343.16962	2.5
345.18607	27.8
346.18848	4.0
363.19623	7.7
364.19778	1.2
407.18655	100.0
408.19000	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1867
Annotation	Xanthokeismin A
Peak:m/z	Relative Intensity
59.01390	2.9
65.88954	0.5
69.75911	0.5
69.79574	2.4
85.60677	0.5
87.00897	0.9
98.20647	0.8
121.05362	0.6
132.04623	0.8
136.07695	19.2
153.07112	1.0
158.02480	1.8
162.05666	0.9
162.18935	0.5
167.08650	1.0
169.06619	1.3
179.08676	1.4
180.05876	1.7
190.05092	6.5
191.05429	0.6
195.08130	0.8
196.08919	0.8
197.11829	0.6
209.06111	0.5
211.07622	7.4
212.08128	0.8
222.07750	6.2
223.07658	61.4
224.08102	7.2
225.09160	1.6
243.85771	0.5
267.06537	1.2
307.17023	2.8
325.20120	0.7
327.05038	0.9
339.13446	0.8
345.18704	2.4
349.07300	0.7
363.19675	100.0
364.20010	15.2
371.16119	19.3
372.16367	2.1
407.18640	88.1
408.18921	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56908	0.3
69.67028	1.8
74.55882	0.3
89.44704	0.3
95.54818	0.3
105.97020	0.3
106.04279	0.5
107.05034	0.9
115.93066	0.3
117.03462	0.4
130.04218	2.3
134.03758	3.3
135.04539	100.0
136.01712	0.4
136.04863	4.7
143.05052	0.9
145.06598	1.8
150.03227	0.3
157.06567	1.5
159.04494	0.5
159.08177	1.7
161.02489	1.5
162.03271	0.5
171.08154	0.5
173.06055	0.6
176.30739	0.3
177.19264	0.3
187.04018	0.5
202.06166	0.3
205.35962	0.3
227.14395	1.2
242.51674	0.4
245.15279	0.4
262.04031	0.3
270.05243	0.4
271.13431	18.1
272.13751	1.4
289.14474	9.1
290.14777	1.1
363.19958	0.4
389.17661	1.6
407.18649	31.5
408.19025	4.3
426.44104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09163	1.4
67.01887	1.3
70.21124	4.0
83.05022	1.8
98.20535	1.9
161.02448	1.4
169.06639	1.8
179.08675	10.1
196.08757	1.5
211.07649	5.5
223.07660	60.1
224.08295	13.7
225.09175	5.2
235.07632	3.5
237.09210	4.9
251.07187	2.4
256.07401	1.5
263.07162	19.0
263.09879	1.9
263.10797	1.3
264.07751	4.0
273.12921	2.3
279.14059	2.0
293.15366	8.6
294.16129	1.4
301.12509	2.7
303.10355	2.8
304.58221	1.6
305.11896	1.5
317.11990	1.7
318.12524	5.0
319.13461	4.2
345.18716	3.7
363.19696	28.2
364.19958	5.3
389.17624	42.0
390.18195	6.4
407.18665	100.0
408.18985	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	407.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
60.95594	0.8
61.13581	0.8
69.39984	1.5
69.40393	4.9
70.61668	0.6
76.67975	0.7
79.05556	1.3
83.05030	32.1
84.05354	0.8
91.17524	0.8
93.03490	0.9
93.63225	0.8
95.05032	4.6
106.04219	0.9
107.05022	4.6
117.07127	0.9
119.05053	2.4
121.02948	1.1
121.06657	1.6
122.03757	4.7
123.08162	2.0
134.03751	1.1
135.04526	4.7
135.08145	2.0
136.05305	1.2
137.09805	0.8
143.04973	0.9
157.06503	1.8
169.06628	2.0
171.08170	2.7
172.05359	0.7
173.02452	0.7
173.06087	1.7
176.08397	1.2
183.08116	2.0
188.08415	1.9
195.08270	1.6
197.09767	1.7
203.07167	0.9
211.07704	2.1
213.07195	1.1
213.09227	22.7
214.09581	1.4
215.07127	1.3
223.07686	1.0
223.11273	1.0
225.09242	8.7
226.09795	2.2
227.10750	2.7
229.74551	0.7
235.11301	2.8
237.09297	0.9
239.07103	1.4
239.10872	1.0
241.08719	2.2
249.12833	1.8
253.08823	0.9
261.12799	5.6
263.07263	0.8
263.10715	0.8
265.08749	0.9
267.13895	12.4
275.14331	1.0
279.13934	7.5
280.14307	1.5
293.15393	1.5
305.11923	1.0
315.14462	0.7
319.16959	1.2
345.18625	2.2
363.19620	3.7
389.17603	64.1
390.17914	12.1
407.18646	100.0
408.18930	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	407.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	5.6
69.71357	3.3
113.35612	0.5
117.03426	0.8
131.05031	0.7
136.96411	0.5
141.07050	0.6
169.06589	2.4
179.08669	7.4
180.05856	1.1
182.07401	0.8
183.60657	0.5
191.08528	0.6
193.06635	0.8
193.10229	1.2
195.08125	1.1
196.08928	1.7
209.06055	1.7
210.06824	1.5
211.07645	4.4
219.08125	1.6
221.06084	0.7
222.06894	0.8
223.07652	62.8
224.08281	11.3
225.09027	1.6
233.06145	0.7
235.07666	8.8
236.08118	1.3
237.05577	0.7
237.09222	14.1
238.06361	1.2
238.09445	1.2
239.07031	1.0
245.09689	0.8
247.07689	1.8
248.08028	1.2
251.07152	1.3
254.05698	1.0
256.07346	1.4
261.09177	3.1
262.06189	1.1
262.09763	1.0
263.07022	0.9
263.10788	3.2
264.90826	0.6
267.06647	2.3
271.07861	0.7
271.11191	0.6
273.09293	0.8
275.07129	6.4
275.10132	0.8
281.08307	2.9
285.12906	1.3
289.08725	10.2
290.09439	4.0
303.10281	0.6
305.15540	8.7
306.15921	0.8
307.16891	0.8
309.09952	1.0
312.11639	1.1
313.12299	1.7
315.10291	1.0
322.08542	0.9
327.17395	0.8
329.11853	1.9
331.13474	3.4
331.16745	0.6
343.16895	1.0
345.18616	14.9
346.19040	2.5
363.19681	14.6
364.20102	2.4
371.16495	2.8
389.17609	24.6
390.17886	4.3
407.18643	100.0
408.18970	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92949	0.6
67.01894	39.3
68.02232	1.0
69.68462	0.6
70.81944	0.6
79.05550	1.8
79.07542	0.6
83.05022	1.1
107.05032	6.2
121.13790	0.6
129.07115	0.9
135.04506	2.4
136.01663	0.8
157.06558	1.5
169.06593	2.6
170.07353	3.5
173.06104	2.6
173.09718	1.0
175.07689	0.7
178.07854	1.0
188.08368	1.6
193.10274	7.1
195.08165	1.2
203.07089	1.4
211.07672	0.9
213.09120	0.9
223.07657	3.9
224.08051	0.9
225.09160	3.3
226.09732	0.7
227.10715	1.8
229.23389	0.7
235.07645	1.4
237.09213	98.9
238.09555	10.8
239.10745	1.0
251.07143	2.2
252.25175	0.7
254.09344	0.8
261.13007	1.2
263.10834	2.2
279.13974	11.3
280.14200	1.3
294.12646	0.8
305.11859	7.5
306.12073	1.0
331.12933	0.9
345.18573	3.2
363.19586	6.7
364.19983	0.9
375.16113	5.2
389.17502	3.4
407.18640	100.0
408.19000	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	407.1866
Annotation	fukanefuromarin E
Peak:m/z	Relative Intensity
57.03441	0.8
64.19549	0.8
67.01897	38.3
68.02212	1.0
70.18370	1.7
70.18768	1.7
75.88523	1.0
82.05286	0.7
84.53986	0.8
107.05054	0.9
115.05595	0.8
137.09709	1.3
141.07143	1.5
153.07097	1.1
157.06708	0.8
160.65541	0.8
161.02463	1.0
165.07094	1.3
169.06601	3.6
173.09708	2.1
175.11234	1.0
179.08665	6.4
180.05811	2.4
181.06418	0.8
183.34943	0.8
185.02403	1.0
191.08606	4.9
193.06564	2.0
193.10199	6.2
194.07420	1.1
195.08176	2.5
196.08698	0.8
207.08101	1.8
209.06039	1.4
211.07610	3.4
219.08141	8.6
220.54391	0.8
221.06087	3.4
222.06812	2.4
223.07657	74.9
224.08080	9.8
225.09198	6.8
228.17319	1.0
233.06110	1.6
234.06841	1.8
235.07631	24.2
236.08138	3.1
237.09221	78.2
238.09537	7.8
239.10808	2.0
242.62820	0.9
245.06125	1.4
257.09671	1.5
259.11252	0.8
261.05573	5.2
261.09143	1.4
262.06345	5.8
263.07117	10.0
264.07379	1.1
267.06613	18.6
268.06992	2.0
273.09000	0.9
275.10770	7.1
281.08206	24.8
282.08521	1.6
293.15082	0.9
294.05267	1.3
302.09317	1.1
304.57846	0.8
343.16925	2.9
345.18570	28.4
346.18924	3.6
361.18094	5.9
362.18353	0.9
363.19644	30.9
364.19998	4.4
371.16623	2.9
389.17566	18.8
390.17987	4.0
407.18652	100.0
408.18982	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57163	0.5
55.01883	3.8
69.26450	3.7
79.05541	1.2
81.97247	0.5
103.33976	0.4
118.50982	0.5
119.05032	0.7
120.84111	0.4
157.06642	0.5
169.06621	2.8
170.12169	0.5
179.08650	2.7
181.10246	12.6
182.10588	0.9
185.06126	1.0
201.05528	0.5
207.08228	3.3
211.07617	0.9
223.07658	15.8
224.08351	2.1
225.09230	100.0
226.09595	8.3
229.05070	0.8
235.07588	2.2
251.07140	6.2
252.07579	0.8
253.08868	0.6
258.52066	0.5
261.09299	0.9
267.06668	0.5
269.08240	1.5
275.10883	2.3
276.11716	0.9
277.12427	0.7
301.08685	0.6
345.18576	7.5
346.18872	1.3
363.19662	1.2
371.16837	2.4
389.17618	13.1
390.18036	2.0
407.18665	93.7
408.19009	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	407.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72301	0.6
67.01899	12.1
69.69061	3.1
111.09673	0.6
123.08270	0.6
169.06558	1.7
175.11302	1.1
179.08719	3.7
180.05782	1.1
181.10280	0.7
191.08665	1.2
193.06403	0.7
193.10188	2.1
209.06067	1.2
211.07602	3.4
221.06137	1.5
223.07663	47.1
224.08231	7.7
225.09215	4.6
235.07666	12.3
236.08186	1.4
237.09224	27.6
238.09534	2.3
256.07401	1.0
261.09277	2.7
262.09958	0.8
263.10809	1.8
267.06638	0.9
275.10751	5.8
276.11316	1.2
320.69196	0.7
343.17120	2.0
345.18607	22.2
346.18796	3.4
363.19638	8.3
364.19998	1.9
407.18658	100.0
408.18973	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	1.5
68.99818	7.6
69.76953	1.1
76.66908	0.2
83.01354	0.3
88.62641	0.2
95.01387	1.0
98.19987	0.4
106.04189	0.2
107.01390	2.3
108.02174	1.1
109.02940	0.3
109.77984	0.2
110.00118	0.4
115.96661	0.3
117.03471	0.8
119.04995	0.9
123.00890	0.6
129.07051	0.2
131.01418	0.5
131.05072	0.3
132.05862	0.6
133.02928	0.7
135.00899	2.6
135.04538	0.3
136.01672	10.4
136.98793	0.4
137.02106	0.2
145.03012	0.5
145.06686	0.3
147.04543	0.8
148.01674	0.3
148.05324	0.4
149.02505	0.4
149.99568	1.0
159.04446	0.4
161.02455	3.0
163.00377	2.5
163.03964	0.2
164.01172	8.6
171.04518	1.0
173.06090	0.8
174.03233	0.3
175.00386	3.4
175.04008	7.1
176.01270	1.3
176.04790	17.8
177.01877	0.8
177.05142	1.0
189.01949	1.3
189.05560	1.5
191.03528	0.3
191.14595	0.3
201.01872	0.3
202.02760	0.3
203.03532	2.4
204.04282	13.3
205.04657	0.9
206.96770	0.2
208.03697	0.5
217.05017	1.0
217.12332	0.7
223.07602	0.7
225.05695	0.3
226.06329	0.5
231.06702	0.3
237.05580	0.3
238.10001	0.2
239.07152	0.2
240.07898	0.7
251.07117	0.8
253.04993	0.5
254.05890	1.5
255.06421	0.3
259.13422	0.5
265.08768	0.4
267.06656	3.1
268.07260	1.7
269.08304	0.3
279.06653	11.6
279.10040	0.6
280.07162	1.7
280.10980	2.3
281.11432	0.3
293.08133	1.5
300.06403	0.4
303.12357	1.2
307.09827	1.7
308.10532	5.7
309.10953	0.8
340.09564	0.3
343.61942	0.2
349.14459	0.4
354.96576	0.2
365.17587	0.3
389.17572	0.4
407.18640	100.0
408.18985	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	407.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	1.8
68.81799	0.4
68.99825	1.1
71.31020	0.7
83.01384	0.8
97.06579	0.4
107.01396	1.4
108.02180	0.5
109.02933	0.6
109.96892	0.4
121.06608	0.5
123.08195	0.7
135.00903	2.3
136.01682	6.2
145.06604	0.7
147.04657	0.5
148.01656	0.7
149.99631	0.5
161.02393	0.5
163.00351	0.8
164.01160	5.2
169.06604	0.5
171.04492	3.0
175.00391	0.7
175.03973	0.9
176.01164	2.6
176.04779	2.1
177.01927	0.7
189.05609	0.6
189.21028	0.4
191.03593	0.5
193.12366	0.7
194.61470	0.4
198.46303	0.4
203.07147	0.5
204.04309	1.3
211.07602	0.5
213.05363	0.4
217.12320	2.2
225.05571	0.5
225.09158	1.1
226.06375	0.5
235.13452	1.4
239.07072	0.7
240.07907	0.6
252.07977	0.6
259.13461	0.8
267.06586	1.1
268.07336	1.5
279.06732	2.1
281.08044	0.9
295.13193	0.6
300.06537	0.8
303.12451	4.1
307.09894	0.5
308.10602	0.6
329.14005	0.5
330.14160	0.4
335.12845	0.6
363.19757	0.5
365.17462	2.4
407.18658	100.0
408.13647	0.8
408.18958	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1868
Annotation	Kenganthranol A
Peak:m/z	Relative Intensity
62.32689	0.8
65.06083	0.8
66.00337	0.8
69.57712	0.9
69.93842	1.9
69.94234	2.0
74.18586	0.9
78.61259	0.8
79.41457	0.7
95.05057	1.5
119.05045	8.6
123.08169	1.1
125.69141	0.8
140.71832	0.8
169.32964	0.8
179.08684	7.2
182.07404	0.9
195.08238	0.9
196.08929	2.2
205.40703	0.8
209.06073	1.2
210.06946	1.3
211.07651	5.3
221.06113	0.9
223.07663	55.9
224.08315	12.1
225.09192	6.5
235.07614	2.8
237.09366	1.5
245.06114	1.0
251.07155	3.0
256.07422	3.0
261.05368	0.9
262.06375	1.0
263.07153	18.7
264.07724	4.1
275.14130	0.9
276.61151	0.7
283.11316	1.1
289.08670	1.3
289.12509	0.9
291.14087	1.0
293.15457	11.2
301.12381	2.0
303.10257	2.1
317.11771	2.3
318.12561	6.7
319.13403	6.2
345.18704	1.0
363.19720	27.2
364.20102	3.2
389.17603	44.2
390.17871	5.1
400.80460	1.0
407.18677	100.0
408.18939	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	407.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
65.00315	1.0
68.61909	0.6
71.01390	0.6
78.95923	3.0
79.03328	0.5
79.05551	3.4
89.20044	0.6
93.03457	1.3
96.96018	2.0
107.01469	0.8
107.05043	13.3
109.02916	1.4
119.05061	3.7
121.03014	1.4
122.03790	0.5
129.07094	0.8
131.08691	1.3
133.02924	0.7
135.00934	0.8
135.04555	5.3
136.01677	1.9
143.18163	0.6
145.06616	1.0
149.02431	0.7
152.99580	1.8
156.90976	0.7
157.06616	1.1
159.04440	1.0
161.02432	1.2
161.06081	0.7
163.00366	1.0
163.04033	0.9
164.01099	0.8
169.04333	0.6
171.00644	2.1
171.04565	0.8
171.08218	1.1
173.06062	5.1
173.09660	1.0
175.03976	0.6
175.07675	1.0
176.01178	1.0
177.01933	1.4
185.06088	1.2
188.08449	5.4
195.08115	0.7
201.05589	4.6
202.06099	0.9
203.07100	3.3
208.05327	0.6
211.07639	1.5
213.09204	1.8
223.07683	1.6
225.09245	3.3
229.05052	3.2
237.09225	1.8
239.07164	1.4
239.10783	1.2
244.03381	0.6
251.07129	1.3
252.07895	0.7
253.08580	1.0
263.10699	3.1
267.06735	1.6
274.17969	0.6
276.11862	0.6
279.13937	47.3
280.14316	5.3
281.08173	3.7
287.12946	1.6
291.10162	0.7
292.11182	0.8
293.15350	1.6
294.12573	1.8
294.15744	0.6
319.17032	0.9
325.18399	1.8
345.18640	3.7
346.19220	0.7
363.19675	14.3
364.20053	2.5
389.17624	29.4
390.18008	5.7
404.30777	0.6
407.18640	100.0
408.19031	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	407.114
Annotation	Thonningine B
Peak:m/z	Relative Intensity
59.01381	1.2
61.98795	0.8
73.69865	0.8
84.16356	0.8
93.03503	0.9
98.20600	2.0
104.38422	0.8
117.03497	0.8
119.05040	6.4
132.02191	0.9
133.02975	1.4
145.02974	1.1
147.00919	2.1
157.06609	6.4
159.00946	1.2
159.04465	0.9
160.01566	1.0
161.02417	4.0
173.06085	2.8
175.00357	1.2
176.01250	0.8
176.82813	0.8
177.01981	1.4
185.02574	0.8
187.04095	1.0
198.03197	0.9
201.05577	5.6
207.04604	1.0
209.05960	1.0
222.03262	1.2
223.03940	1.8
227.03508	0.9
233.06107	1.0
233.09787	0.9
235.03944	1.8
235.07608	1.6
236.04761	1.1
246.06790	0.9
247.07730	1.2
248.04657	0.9
249.05235	0.7
249.09221	2.2
250.02736	3.2
250.06737	0.9
251.03525	1.6
251.07030	0.9
253.01443	3.1
253.08609	1.6
259.07712	2.1
261.05466	1.7
262.02936	0.9
262.06296	1.1
263.03540	2.8
263.07135	1.9
264.04108	1.1
267.06647	0.8
275.03427	2.9
275.07037	1.6
276.04364	1.2
276.07697	1.3
277.08749	5.6
279.03113	1.0
279.06638	0.7
281.08194	3.5
287.07138	1.2
289.05167	1.5
291.02905	1.5
291.98697	0.8
293.05161	0.8
293.08047	4.5
303.03253	0.8
303.06522	3.2
305.08090	6.0
307.02411	1.8
307.06073	2.0
309.04153	1.1
315.06689	1.1
319.02612	1.0
319.06171	1.2
321.04105	1.9
321.07690	16.7
322.07928	1.9
331.06177	1.9
332.06723	1.6
333.04202	1.0
333.07800	4.9
335.05560	3.4
335.09308	3.5
346.08365	1.0
347.05670	2.3
348.06192	1.2
349.07193	47.2
350.07474	5.3
359.05609	2.3
361.06952	1.1
362.07916	1.7
363.08801	8.9
364.09534	8.6
365.10028	0.9
374.07852	1.7
375.08643	4.1
377.06674	51.0
378.06964	6.9
379.11877	48.9
379.16821	1.6
380.11987	7.0
391.08234	3.1
392.09061	30.1
393.09509	4.7
407.11392	100.0
407.18463	5.7
408.11740	15.2
408.17673	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	407.1139
Annotation	Rubiginone I
Peak:m/z	Relative Intensity
59.01383	2.4
65.14587	0.8
69.51903	4.4
69.52334	1.6
90.00349	0.8
97.02953	2.5
107.04998	1.6
119.01374	0.9
131.12892	0.8
133.02945	1.4
147.00919	3.6
148.01614	1.4
149.02489	1.1
157.06607	13.7
159.04471	1.2
161.02498	4.0
162.03233	0.9
163.00409	1.8
173.06078	1.3
175.00449	1.1
176.01115	1.3
187.04001	1.8
189.01965	0.9
189.97943	0.9
190.02692	1.2
191.03430	1.1
201.05580	11.3
209.06041	0.8
210.06825	1.2
211.07634	2.8
215.03477	2.3
216.03947	0.8
219.06743	0.8
223.07645	4.1
225.09224	1.6
233.06012	1.0
233.09807	1.1
235.07584	1.2
237.09251	1.1
243.02966	1.4
249.09238	2.9
250.02602	1.2
251.07082	2.2
252.98911	0.8
253.08481	1.1
261.05609	2.6
261.09201	1.2
262.06317	1.5
263.07162	1.0
269.07114	1.2
275.07172	1.2
276.08063	1.5
277.08685	8.7
278.09128	1.1
279.06479	1.8
281.08191	1.5
283.29611	0.8
289.05167	1.1
289.08676	1.0
293.08121	6.9
294.08597	1.1
303.06790	1.5
304.07321	1.0
305.08240	9.3
306.05148	1.9
306.08511	1.2
307.17194	1.4
309.03989	2.4
309.10385	0.8
309.20602	1.6
312.26248	0.9
317.08231	1.1
321.04187	1.8
321.07666	24.3
322.07971	3.4
331.06195	1.3
333.07736	4.1
335.09305	2.8
343.17142	0.9
345.07480	1.0
345.18652	3.1
346.08813	1.1
347.09320	1.4
348.06451	1.6
349.07199	73.8
350.07553	9.0
363.08798	12.7
363.19611	7.0
364.09509	17.4
364.19983	1.5
365.09879	2.2
377.06717	4.6
379.11887	100.0
380.12216	11.4
392.09036	3.1
407.11349	79.2
407.18509	15.4
408.11707	10.9
408.18808	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	407.1138
Annotation	Thonningine B
Peak:m/z	Relative Intensity
59.01359	1.4
71.07264	0.6
95.96487	0.6
107.05031	0.9
119.01356	1.9
129.07106	0.7
133.02921	0.9
135.00826	0.7
147.00873	2.4
149.02371	0.8
157.06596	9.1
160.98785	0.8
161.02423	1.9
162.03183	1.2
163.00414	1.3
173.06058	1.0
175.00316	1.0
176.01172	0.8
177.02039	0.8
179.13560	0.6
185.02425	0.9
187.03973	1.0
189.01920	1.9
190.02634	0.7
191.03470	1.1
191.08655	0.8
199.03731	0.9
201.05565	6.7
213.01888	0.8
215.03487	2.0
218.07388	0.6
219.06503	0.7
226.02641	0.6
233.05969	0.8
233.09613	1.1
234.06674	1.0
237.09285	1.1
247.07440	0.7
249.09187	2.6
250.02800	0.9
251.07117	2.5
259.07623	1.0
261.05499	1.7
261.09171	0.8
262.06161	1.2
262.79288	0.6
265.08606	0.7
275.07169	1.6
277.08688	8.6
278.09039	1.4
279.06546	0.9
281.08221	3.2
287.07227	1.1
290.06085	0.7
291.02975	0.9
293.08206	5.1
294.08328	0.8
303.06390	0.9
305.08157	7.5
306.05252	1.7
307.06067	2.1
309.04083	2.2
319.09683	0.8
321.07678	39.9
322.08130	3.7
331.06067	1.0
332.06598	0.8
333.07693	3.3
335.09265	2.6
345.07776	1.2
348.06326	1.6
349.07181	90.9
350.07510	12.5
363.08823	8.9
364.09515	20.6
365.10022	2.2
377.06683	4.0
379.11884	100.0
380.12198	15.2
391.08270	0.8
392.09082	5.5
407.11398	40.3
408.11575	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	407.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82994	1.2
57.03446	5.9
59.01384	63.7
63.87408	1.3
65.99834	1.3
69.59166	3.1
69.59592	4.9
71.01391	20.4
72.99311	3.7
73.02962	6.1
75.00856	2.6
82.03011	10.3
83.01395	1.9
85.02942	6.7
87.00890	3.2
88.74906	1.2
89.02459	14.0
95.01323	1.6
96.96054	1.5
99.00880	2.7
99.04527	4.6
101.02437	13.8
108.59060	1.4
113.02463	11.1
119.03495	4.3
122.13269	1.2
125.02457	1.7
137.09590	1.3
157.08716	7.8
160.07661	1.6
161.04572	3.9
162.04317	2.0
162.05600	1.4
164.03598	6.4
174.05627	2.1
179.05743	2.5
186.05678	1.5
188.07147	3.6
189.03091	2.3
191.04662	1.5
194.04572	1.8
196.06116	1.5
201.06601	1.3
202.08733	3.9
203.12859	1.3
209.11859	1.5
215.04442	2.3
215.08310	1.8
216.05293	5.1
216.06903	2.8
216.10333	2.4
217.02525	4.4
217.06125	6.2
217.09904	1.8
218.06894	4.0
223.06665	1.3
227.03491	1.6
228.06755	1.9
229.06161	9.8
230.03339	4.0
230.06992	4.2
231.07710	14.1
232.08485	5.5
241.06180	3.9
242.03297	3.3
243.04118	20.3
243.06651	1.6
243.07787	3.4
244.04887	12.4
244.09857	13.6
245.04814	2.6
245.09341	6.0
245.17603	3.5
248.09241	3.0
249.06076	3.7
256.04959	6.2
257.05713	17.8
257.09369	2.1
258.06445	7.9
259.07248	44.6
259.10849	6.5
260.07339	2.5
269.09229	6.4
270.07129	1.6
271.07233	24.5
272.07825	3.9
285.08777	5.1
287.10391	72.9
288.08762	5.4
291.09866	9.8
303.10056	2.5
313.08319	100.0
314.08685	11.8
317.07941	1.8
331.09399	57.1
332.09836	6.9
335.08804	2.2
345.10919	11.4
346.11203	1.9
347.16916	2.8
357.07166	1.7
365.18176	2.3
375.08340	19.4
376.08859	2.0
389.10016	4.5
407.10941	54.0
407.15305	4.8
407.19229	2.7
408.11319	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	407.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61634	0.3
51.47588	0.3
55.12622	0.2
57.75897	0.3
59.01390	2.7
61.98827	0.5
65.00317	0.4
67.49865	0.3
68.99804	0.3
71.54749	0.3
71.55135	0.4
87.00857	0.3
87.37859	0.3
95.01380	0.7
96.95985	0.7
107.01328	0.4
109.02927	0.3
113.47608	0.3
119.05040	0.4
128.85362	0.2
133.02971	0.5
134.03673	0.3
145.02884	0.2
148.01662	0.3
149.02490	0.4
149.99568	0.3
151.00343	0.8
152.54019	0.3
159.04485	0.3
161.02454	0.6
173.02473	0.3
174.03195	0.4
177.05580	0.3
189.01913	0.4
192.00543	0.3
195.44124	0.3
198.03215	0.7
201.01932	0.4
202.02588	0.3
205.01721	0.3
211.04024	1.8
212.04785	2.1
212.08623	0.3
214.02711	1.0
215.03490	0.6
216.04248	2.1
217.04797	0.3
226.02724	0.9
227.03453	1.2
228.04140	0.5
239.03506	1.3
240.04277	3.4
241.04637	0.4
243.03093	0.4
254.02199	0.5
255.03008	5.6
256.03595	1.6
267.03067	0.7
268.03711	0.4
271.02649	1.5
282.01755	1.4
283.02487	16.2
284.03229	10.5
285.03522	0.5
299.05597	2.2
311.02014	10.1
312.02768	20.1
313.03168	1.7
321.07648	0.7
327.05112	100.0
328.05469	10.6
328.08588	0.2
349.07184	1.6
371.14844	0.6
377.06509	0.4
379.11954	2.3
407.00809	11.6
407.11804	2.1
407.17068	0.4
408.01196	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	407.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74674	1.2
57.03438	1.7
59.01386	44.5
60.01695	1.7
65.99863	1.4
70.23047	2.8
70.23442	3.6
71.01382	13.5
72.99300	3.4
73.02951	6.6
75.00852	1.7
82.02989	10.4
83.01402	4.2
84.89998	1.5
85.02940	9.3
87.00878	4.4
89.02444	12.2
99.00893	2.0
101.02439	8.3
102.05019	1.1
105.37778	1.4
113.02430	7.1
115.00313	1.6
118.10455	1.5
119.03500	4.8
136.04039	2.1
147.03020	1.6
150.03220	1.9
157.08717	6.6
158.06110	1.7
160.07642	2.5
161.04688	2.3
162.04375	2.7
162.05682	1.6
164.03522	7.0
167.03412	1.9
168.76080	1.3
171.10272	4.0
174.05571	1.8
186.05565	2.0
188.07185	3.5
191.04779	1.4
196.06126	1.7
200.03624	1.6
200.07178	2.3
200.10757	1.6
202.08762	3.9
215.04628	4.0
216.05289	4.3
216.06902	2.9
216.10258	3.0
217.02618	6.4
217.06151	10.3
218.06888	1.5
228.06656	2.7
229.06090	8.6
230.03386	2.3
230.06870	3.7
231.07722	13.6
232.08440	3.5
241.06157	3.4
242.03296	4.2
243.04120	23.4
243.07773	4.4
244.04875	14.4
244.09854	13.8
245.07066	1.6
245.09360	5.7
248.09315	5.0
249.06276	3.1
256.04852	5.4
257.05643	18.8
257.09470	2.3
258.06427	7.2
259.07236	45.2
259.10730	7.1
260.07272	3.0
260.11450	1.9
269.09375	3.1
271.07236	24.0
272.07922	3.7
285.08942	5.7
287.10382	74.0
288.08740	6.7
288.11252	2.7
289.08884	1.5
291.09964	11.3
303.09903	2.1
313.08310	100.0
314.08762	9.9
331.09418	57.1
332.09695	6.0
335.08957	2.1
345.10876	8.1
347.17010	3.9
357.07419	3.3
365.18185	4.5
375.08426	17.3
376.08862	2.1
389.10074	2.9
390.10110	1.8
407.10919	54.4
407.14963	3.9
407.19025	11.7
407.23468	3.1
408.11380	6.8
408.19025	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10256	0.7
56.21739	0.6
58.83598	0.7
59.01387	100.0
60.01723	1.7
69.66007	3.7
85.00287	0.6
92.05294	0.7
95.90466	0.8
153.01981	1.5
205.01476	2.4
206.01779	1.0
207.02097	2.4
213.18555	0.8
256.99423	0.6
266.31149	0.6
299.26160	1.3
345.30035	7.4
348.48520	0.7
379.05548	0.7
404.87036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63908	0.9
57.03449	2.2
59.01106	1.5
59.01388	17.7
61.98835	2.2
68.99809	2.1
69.03460	1.3
69.95168	4.2
71.01389	18.5
72.01719	0.9
72.99312	4.8
73.02946	2.6
75.00879	15.6
83.01396	1.0
83.05014	0.9
85.02959	18.2
85.78931	0.7
87.00903	5.7
89.02487	4.5
93.03468	1.9
95.01406	4.4
96.96035	1.1
99.00882	9.7
101.02432	2.1
103.00381	1.3
113.01715	1.7
113.02458	20.2
114.05621	100.0
115.00390	1.8
115.05927	2.2
117.01962	3.5
117.60117	0.9
129.01898	2.0
132.71645	0.9
138.05618	1.0
148.61200	1.0
156.06671	41.7
157.07051	1.2
170.41083	0.9
175.02454	2.3
189.04059	1.5
196.87938	0.9
222.08093	0.9
231.05135	4.2
240.85956	0.8
244.29988	0.9
249.06171	92.6
250.06522	6.9
266.74170	1.0
267.07208	1.8
341.23175	1.1
406.13550	57.1
407.13824	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
53.02663	0.5
55.01882	1.4
57.03455	4.5
57.55797	0.6
58.00599	3.7
59.01386	100.0
60.01719	1.6
69.64629	1.3
69.65033	3.1
71.01391	53.7
72.01729	1.0
72.99319	4.7
73.02949	5.7
75.00888	1.2
83.01387	3.8
83.05067	0.7
85.02960	10.2
87.00873	4.1
89.02456	68.6
90.02790	1.6
94.65233	0.6
95.01384	3.6
98.20624	1.3
99.00881	0.9
101.02452	34.4
101.38575	0.6
111.73954	0.6
113.02467	22.8
119.03519	27.8
125.02519	0.7
129.01955	0.8
131.03493	3.3
132.24957	0.6
135.00923	0.6
139.07704	1.5
143.03505	4.1
149.04576	2.4
151.07666	1.1
161.04549	4.9
167.10759	1.5
179.03542	0.7
179.04039	1.0
179.05621	9.9
183.10344	1.7
190.76833	0.7
213.00632	0.5
225.05046	0.6
225.11398	0.6
243.15997	5.7
300.10620	0.7
317.10043	0.9
329.11490	1.1
357.13553	0.8
363.16766	0.9
405.17505	2.2
405.21545	21.0
405.26233	1.1
406.21695	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	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01878	1.7
57.03452	4.7
57.70034	0.4
58.00594	3.3
59.01384	100.0
60.01722	1.1
61.98825	1.1
69.93519	0.9
69.93906	0.8
71.01388	63.3
71.05027	0.6
72.01731	0.9
72.99318	4.1
73.02956	3.9
74.70621	0.4
75.00903	0.7
81.03474	0.6
83.01387	3.1
83.05037	0.5
85.02955	12.6
87.00880	3.3
89.02453	75.9
90.02792	1.2
95.01396	5.0
97.02956	0.5
97.06606	0.8
98.20560	0.6
99.00887	1.8
99.04517	0.6
101.02450	37.5
102.02790	1.0
113.02457	27.4
114.02795	0.7
115.00387	1.0
119.03512	31.9
120.03872	0.9
122.06139	0.6
123.07135	0.4
123.08119	0.7
125.02468	0.9
125.06091	0.8
131.03523	4.2
140.11943	0.5
143.03517	5.6
149.04572	2.6
149.09793	1.4
159.02975	1.0
161.04556	11.1
163.11299	0.7
167.10791	3.5
175.02473	2.1
179.05623	10.5
183.10254	3.0
207.13896	0.5
215.23473	0.4
225.11418	0.8
225.14943	0.5
243.15994	3.9
271.08539	0.5
285.13123	0.4
405.21616	17.2
406.22073	2.5
426.12186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2134
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01886	1.7
57.03451	2.0
58.00604	3.3
59.01387	100.0
60.01731	1.2
68.22713	0.5
71.01392	56.9
72.01754	0.7
72.99314	4.7
73.02952	5.4
75.00898	1.5
83.01395	3.1
83.05078	0.5
85.02963	13.0
87.00886	3.0
87.04615	0.5
89.02457	66.1
90.02789	1.5
95.01410	3.6
97.02960	0.6
97.06593	0.7
98.07873	0.6
98.19862	0.9
99.00915	1.9
99.04543	0.6
101.02457	35.3
102.02800	0.8
103.55954	0.5
110.51201	0.5
111.04555	1.1
111.08239	0.6
113.02462	25.1
113.06115	0.6
116.92919	1.0
119.03516	28.3
125.02493	1.1
131.03540	2.5
139.07715	1.2
140.07137	0.5
143.03520	4.7
146.31799	0.5
149.04582	2.0
153.09256	2.1
159.03043	1.0
161.04570	9.0
167.10812	0.8
179.05612	7.8
183.10295	3.6
198.05757	0.8
201.11383	0.6
205.64406	0.6
225.14943	5.0
226.05113	0.8
228.06848	1.7
229.10898	4.6
230.11313	0.6
240.05493	0.8
243.07825	1.1
243.15997	4.5
255.11290	0.7
256.06210	1.3
256.09818	1.0
257.06955	1.5
257.09521	0.6
258.06552	2.1
267.07819	1.5
273.08847	3.1
283.11029	1.6
285.12668	1.1
286.10745	1.3
295.07462	0.9
296.08188	1.1
299.10443	1.3
301.12091	1.1
311.10422	3.3
329.11469	19.4
330.11926	2.2
345.15689	1.1
363.16763	1.3
373.10583	1.5
387.20599	0.7
405.21445	46.7
406.21680	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	405.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.0
59.77481	0.9
67.63754	0.9
71.55437	1.2
90.35960	0.8
94.92725	0.9
96.96009	1.9
115.51642	0.8
119.05037	66.3
120.05381	2.6
136.01645	1.6
145.02985	1.7
145.53140	0.8
151.99309	0.9
157.06610	3.4
159.04527	2.8
173.06015	1.2
177.90321	1.0
187.04022	4.3
190.06360	2.9
201.05556	7.9
202.06279	1.6
223.07646	0.9
235.07695	0.8
266.05988	1.8
267.06635	2.4
271.13339	1.4
277.05392	0.9
279.06677	3.5
281.08170	4.3
293.08109	1.6
321.11349	15.9
322.11691	2.1
405.20770	100.0
406.21106	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	405.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27843	0.5
69.28262	1.2
76.96139	0.2
93.03472	0.6
96.96024	0.5
98.20605	0.4
119.05039	100.0
120.05374	4.8
123.04537	0.2
128.42514	0.2
142.37914	0.2
157.06662	0.3
223.07634	0.3
321.11374	0.4
361.21591	0.3
401.03647	0.2
405.20749	25.8
406.21118	4.7
412.43976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33741	0.3
55.01882	1.0
57.03455	10.3
57.52606	0.3
58.00603	4.0
58.03796	0.4
59.01386	100.0
60.01723	1.1
69.28880	2.2
71.01389	61.9
72.01736	1.4
72.99308	5.1
73.02962	3.4
75.00875	0.7
81.03452	0.4
83.01395	3.1
83.05032	0.8
85.02959	10.8
87.00889	3.3
89.02454	77.7
90.02772	1.6
95.01388	4.0
97.03020	0.5
97.06590	0.5
99.00887	1.0
99.04520	1.3
101.02453	34.7
102.02779	0.8
104.03578	0.3
109.06573	0.4
113.02460	24.9
114.02779	0.6
119.03517	31.2
120.03819	0.8
122.06078	0.3
123.08154	1.5
125.02466	0.8
125.06056	1.3
131.03525	2.9
133.10219	0.9
134.02362	0.4
135.00890	0.9
135.02449	0.3
135.03296	2.7
139.00386	0.4
139.99336	0.3
140.03520	0.5
143.03511	4.4
145.10237	0.6
149.04539	2.0
149.09689	0.6
151.11267	0.3
155.07072	0.4
159.02979	0.4
161.04573	5.0
163.02686	0.4
163.11243	0.8
164.03511	0.5
164.11664	0.3
165.01909	0.9
166.05090	0.8
166.08682	0.3
167.03514	1.6
167.05461	0.7
167.10785	4.9
168.10997	0.3
175.02490	0.6
179.02179	0.7
179.05637	6.4
181.12190	0.3
182.62401	0.3
190.01451	0.5
195.10234	0.6
207.01744	2.1
207.10248	1.4
221.03273	0.4
225.09299	0.5
225.11345	7.8
226.11559	0.6
239.04364	0.5
243.15924	0.8
273.12555	0.4
290.69803	0.4
309.16159	0.3
345.10599	0.3
345.15146	0.4
363.16281	0.4
373.10532	2.1
373.79355	0.3
405.12772	5.1
405.17435	2.5
405.21408	0.9
406.13077	0.8
406.17712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24189	0.4
59.01382	0.6
62.32963	0.4
70.67001	0.4
73.89647	0.6
93.03461	1.5
108.02181	0.7
109.02946	0.5
119.05048	1.2
121.02957	1.8
130.15628	0.4
134.03740	3.3
137.02426	1.2
149.02451	4.6
149.06090	3.6
161.02470	1.0
163.03917	0.4
174.06821	0.5
184.94185	0.4
210.06583	0.5
211.11255	0.7
212.08466	2.7
225.09224	100.0
226.09555	8.3
227.10815	3.7
237.09225	3.6
238.09764	0.5
239.10849	2.0
240.11526	1.3
256.07394	0.6
265.12283	4.1
272.10516	1.2
277.12289	0.6
291.13882	1.3
303.14066	0.4
331.16818	0.5
359.20245	0.8
361.21771	17.3
362.22336	2.9
405.20749	86.3
406.21094	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	405.1712
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
57.03452	5.2
59.01386	3.7
66.75412	0.7
67.01898	4.4
70.02107	2.8
71.01389	0.8
83.05025	2.3
93.03418	0.8
109.02985	0.8
113.45620	0.6
119.05040	14.2
121.02988	1.1
121.06593	1.3
123.08172	4.0
139.00453	0.9
145.02991	1.0
157.06606	1.3
158.07410	4.4
169.06599	1.9
171.08131	1.3
173.09726	18.5
174.10124	1.0
175.07657	2.5
193.10155	0.7
207.08208	0.8
211.07599	5.1
219.06769	0.7
223.07669	3.8
225.09216	1.2
235.07660	4.5
236.07846	1.0
237.09236	19.0
238.09561	2.1
261.09241	1.9
267.06683	0.8
273.11298	4.0
275.10782	1.2
277.12256	0.7
285.11371	1.8
291.13831	3.6
295.83505	0.8
299.10913	1.3
301.11954	0.7
303.14087	5.5
304.14307	1.0
305.11899	0.9
312.16208	0.6
319.17001	0.8
325.15991	0.9
327.13837	1.3
332.10629	1.6
335.13083	0.7
341.15512	1.7
343.17041	19.3
344.17447	2.9
345.14307	1.0
361.18106	30.1
362.18372	3.8
369.14838	1.1
377.12695	1.0
387.16010	4.3
388.16342	0.8
405.17075	100.0
405.30151	2.3
406.17386	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
58.00592	1.9
59.01384	50.0
69.03445	1.0
71.01387	21.9
72.99319	2.5
73.02953	5.1
75.00882	7.4
83.01389	6.1
85.02953	6.0
87.00877	2.4
89.02451	24.9
95.01399	2.3
95.05030	2.3
97.01797	0.7
98.20666	1.5
99.00893	1.7
99.04494	0.9
101.02455	11.1
107.05032	0.7
109.02989	0.7
111.04530	4.0
113.02457	8.8
119.03522	7.8
125.96430	0.7
131.05048	0.7
135.03018	19.0
135.04533	0.8
138.03191	1.3
142.95277	0.7
143.03554	0.8
145.23398	0.7
147.08182	1.4
151.04008	0.9
159.44891	0.7
163.11307	5.0
173.06090	1.7
179.05641	1.8
181.12349	28.0
182.12650	2.0
185.09782	0.8
192.56813	0.7
207.10184	0.9
219.94670	0.7
225.11334	100.0
226.11691	7.6
231.10373	1.0
243.10329	1.6
243.12527	0.8
267.07657	0.8
268.06281	0.7
273.16901	0.9
281.09451	0.8
311.10406	4.0
329.11465	1.8
345.19141	0.8
405.11960	17.0
405.17679	37.1
405.24905	1.8
406.12247	2.0
406.18051	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	405.1709
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
59.01374	1.0
60.00876	0.5
85.39821	0.5
90.86259	0.5
97.31946	0.6
98.19874	1.4
98.98022	0.5
116.68241	0.5
119.05009	0.5
143.04994	0.9
165.07088	1.3
180.05841	0.6
181.06638	3.1
193.06499	0.9
209.06041	3.5
221.06126	2.7
224.04651	0.7
237.05588	2.6
249.05667	2.8
249.09254	0.8
249.58638	0.5
250.06221	0.7
253.05045	13.5
254.05475	1.3
263.10754	1.1
268.03812	0.7
269.08215	0.9
273.09265	1.3
275.10745	0.7
277.08792	1.4
281.04556	15.1
282.05099	3.6
291.10248	1.4
292.11032	1.3
293.04623	11.8
294.05139	1.3
295.06091	1.7
303.06824	0.7
307.06094	3.4
317.08231	4.6
318.08813	2.5
319.09824	9.3
320.10126	1.6
321.07730	5.0
322.08386	2.5
324.98865	0.6
333.18646	0.9
335.09268	2.8
336.10031	12.0
337.10391	2.1
361.18057	0.9
387.15662	0.6
405.17065	100.0
406.17398	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	405.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
59.01370	2.0
60.39425	1.6
69.70329	7.6
79.05542	3.9
83.05035	37.6
88.80698	1.2
95.05033	9.8
107.05048	8.1
119.05029	1.9
123.08114	1.5
137.06111	1.4
169.06607	7.2
171.08156	1.4
179.08604	2.2
181.10362	1.3
211.07635	27.2
212.07951	3.3
221.05980	4.8
223.07664	30.9
224.08173	4.3
225.09262	10.2
232.09029	1.9
235.07655	2.4
237.05624	1.8
237.09111	2.7
238.06384	2.0
239.07166	8.5
247.11194	2.3
251.07137	4.9
259.11224	1.9
261.09052	1.7
263.07144	7.5
263.10471	2.0
264.07852	5.1
265.12354	20.7
266.12970	1.4
275.10623	2.4
277.12369	18.3
278.12628	2.1
279.24323	1.4
291.13895	2.2
303.10370	6.6
304.10999	2.9
312.18817	1.3
317.12225	1.5
343.17017	4.8
361.18008	11.3
369.14935	2.0
387.16037	58.8
388.16257	7.5
405.17068	100.0
406.17380	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	405.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
70.15036	2.3
71.77769	0.5
83.05041	7.1
88.98798	0.9
91.01911	1.4
93.03469	1.5
109.02985	0.9
119.05038	100.0
120.05374	4.6
121.03040	0.6
121.06610	0.5
123.04485	0.7
130.04233	2.7
135.00906	3.6
136.01663	0.8
137.02484	1.4
137.67375	0.4
143.04974	0.6
145.03003	2.8
145.06599	3.8
153.02010	1.3
157.06606	1.8
161.02429	1.1
171.08192	1.1
173.06033	1.0
185.06117	1.5
187.03975	0.9
189.05536	0.6
201.05597	1.8
209.06079	0.5
211.07730	0.6
215.07123	0.8
223.07706	1.0
223.11375	1.1
225.09206	1.1
226.10036	0.7
234.61269	0.5
241.12308	1.2
255.06616	0.9
267.06610	0.8
269.68991	0.5
279.06561	1.4
285.11346	22.1
286.11603	2.5
303.12390	6.3
304.12772	1.1
343.16901	0.7
347.22137	1.0
361.23785	0.6
405.17059	75.1
406.17410	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.171
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
55.01871	0.6
56.15952	0.4
61.86834	0.3
63.02390	0.5
65.00331	4.2
65.83371	0.3
67.01880	0.3
68.99825	3.1
69.29137	0.3
70.86443	0.8
79.05522	0.5
83.01388	1.0
83.05034	6.3
83.05515	0.2
84.05354	0.3
85.06598	0.5
88.98925	0.3
95.05022	0.4
102.12338	0.3
107.01402	1.8
107.05000	0.6
108.02182	1.0
109.02980	0.7
119.05050	2.6
121.02950	0.4
121.06612	0.6
123.00817	0.4
131.05023	0.7
133.02943	0.6
135.00925	1.8
136.01683	7.0
137.06100	0.7
145.06607	1.7
147.04536	0.3
147.08234	0.4
148.01646	0.7
148.05266	0.4
149.02489	0.4
149.06076	0.5
149.99675	0.3
151.00420	3.0
159.04471	0.4
159.08211	0.6
161.02431	1.2
163.00406	2.2
163.11301	0.5
164.01160	4.8
169.06615	1.4
171.04553	2.9
171.08115	0.3
173.06073	1.1
173.09763	0.5
175.00362	1.2
175.03995	1.7
176.01157	2.3
176.04776	4.2
177.01929	1.1
183.08144	0.7
187.07602	0.4
187.11357	0.5
189.01843	0.7
189.05519	0.9
189.12727	0.5
191.10773	0.9
198.06757	0.4
203.03511	1.5
204.04272	3.3
205.04980	0.6
211.07661	1.7
213.05585	1.5
213.09123	0.6
215.07205	0.4
215.10768	1.4
217.05078	1.1
223.07582	0.4
225.05528	0.5
226.06435	0.4
231.06583	0.9
231.10231	0.7
233.11781	0.8
235.07813	0.3
240.08000	0.8
251.07291	0.4
252.07851	0.4
254.05823	0.4
255.06635	6.9
256.06937	0.5
257.11765	0.8
267.06613	2.6
267.09409	0.4
268.07343	0.8
277.12436	0.6
279.06720	3.4
279.09863	0.6
280.06934	0.4
280.11087	0.7
281.08316	0.5
301.10925	1.9
305.11383	0.3
307.09827	1.2
308.10571	0.6
309.11285	2.3
321.11292	2.6
327.12384	0.4
335.12637	0.5
343.16833	0.4
361.18182	0.5
361.23532	0.9
363.16196	0.9
405.17068	100.0
406.17422	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	405.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.8
58.00574	3.6
59.01389	100.0
61.98837	29.3
69.45111	19.0
71.01391	68.1
72.99306	9.0
73.02975	6.0
75.00880	6.6
83.01422	6.2
85.02958	17.1
87.00882	12.4
89.02456	81.2
95.01405	10.0
95.05755	3.2
99.00864	5.9
101.02450	39.3
113.02489	32.9
114.05618	29.3
115.05052	3.4
119.03521	30.9
121.03002	6.6
141.01950	3.5
143.03549	6.1
149.02441	22.6
149.04543	3.0
156.06679	13.6
161.04578	3.8
165.01964	6.4
177.01952	95.7
178.02426	3.2
179.03462	7.5
179.05646	7.7
180.04300	3.1
185.38634	3.0
192.04321	42.3
195.03058	5.2
195.06651	15.8
207.06691	9.1
210.05426	9.2
225.07687	18.4
249.06218	22.8
269.87061	3.2
369.13824	5.2
387.12903	5.6
405.11362	4.9
406.13330	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	405.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15027	0.9
55.01898	1.7
69.52310	2.9
69.52735	3.1
79.05540	3.9
80.99316	0.9
83.05035	35.1
84.05360	1.1
95.05048	5.9
107.05042	8.5
121.06564	2.2
123.08173	2.3
124.30946	1.1
133.51041	1.0
157.19997	0.9
165.07101	1.1
167.08636	1.7
169.06593	9.2
171.08096	1.7
179.08682	1.9
181.10242	2.0
193.06509	2.2
195.08235	2.0
196.08852	1.0
207.08138	1.1
209.06157	1.8
210.06805	2.3
211.07668	32.7
212.08026	2.9
221.06076	2.7
221.13316	1.0
223.07646	25.3
224.08203	3.0
225.09204	10.2
232.08917	2.4
234.06786	1.3
235.07803	2.4
237.09200	3.3
238.06288	1.6
239.07111	11.9
246.06831	1.7
247.11307	2.1
251.07202	5.3
252.07808	2.2
259.11255	1.7
261.09171	2.2
263.07150	9.9
263.09924	1.3
263.10825	1.4
264.07846	6.2
265.12366	17.1
266.12744	2.2
275.10840	2.1
277.12384	12.2
285.09369	1.9
286.10101	1.1
289.08752	2.8
291.10156	1.8
291.13834	2.2
299.10791	1.2
303.10284	6.6
304.10941	3.6
317.11920	1.4
343.17029	5.8
351.13968	1.2
361.18216	7.8
362.18539	1.6
369.15146	3.8
387.16052	64.0
388.16351	10.4
405.17093	100.0
406.17459	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	405.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
57.03456	7.3
58.00608	3.3
59.01384	100.0
59.41410	0.7
60.01723	2.3
69.03472	1.4
69.31686	3.4
69.32120	3.0
71.01389	59.2
72.01726	1.8
72.99306	4.0
73.02953	9.9
75.00902	0.8
83.01403	4.7
83.05051	1.2
85.02956	14.1
87.00875	4.9
87.04564	0.7
89.02454	59.2
90.02784	1.6
95.01404	3.8
95.05019	1.0
97.02964	1.6
97.06608	0.8
98.20667	1.4
99.00913	2.1
99.04527	1.7
101.02449	33.8
102.02809	1.4
108.04567	1.0
109.02977	1.5
109.06637	0.7
110.02520	2.3
111.04553	1.5
113.02458	21.9
118.03062	0.8
119.03515	21.4
120.03794	0.8
120.04568	1.5
121.02949	1.4
122.06158	1.0
123.08150	2.0
125.02483	1.3
131.03505	1.7
133.10226	3.9
134.02470	2.0
135.00938	4.3
135.03288	28.1
135.04340	1.7
136.04036	2.4
137.02444	1.5
139.00459	1.1
139.07649	1.1
139.99416	1.1
140.03551	3.6
143.03488	3.8
149.04578	1.7
149.09753	3.4
153.01978	2.3
153.09193	2.5
159.02997	2.0
161.04582	9.4
163.02747	2.3
163.11237	1.3
164.01163	1.2
164.03548	1.8
165.01956	7.8
165.09171	0.6
166.05106	3.8
166.08807	1.8
167.02176	1.3
167.03503	13.4
167.05432	2.7
167.10794	8.5
168.04143	0.9
168.11308	0.7
169.05153	0.7
179.02185	5.0
179.03656	1.4
179.05597	5.3
180.03033	1.8
180.05981	1.0
183.06625	0.9
183.10313	0.9
190.01457	8.3
190.99908	1.3
196.02466	2.0
207.01743	21.3
208.02419	2.2
209.11951	0.9
221.03334	4.2
222.04051	2.8
224.02042	1.1
225.11325	9.2
239.04343	4.3
243.15971	3.6
259.00485	0.8
267.07141	0.8
273.12805	1.7
277.11914	0.8
286.10913	1.7
287.10489	1.3
297.58145	0.9
301.12039	1.5
302.10333	1.4
303.10059	1.0
330.09955	2.2
345.11115	1.5
345.15289	1.7
355.09567	1.0
356.07999	1.3
363.16611	1.6
373.10403	22.6
374.10690	3.2
387.11887	0.9
405.13016	60.4
405.17545	7.7
405.21906	6.0
406.13443	6.9
406.17761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24356	1.8
57.03424	3.7
59.01108	2.4
59.01383	30.6
62.95077	1.4
68.46741	1.2
69.03455	6.0
69.31293	12.0
70.91884	1.3
71.01387	19.3
72.48467	1.3
72.99294	3.6
73.02949	2.3
75.00877	35.0
79.59275	1.1
81.03468	4.5
83.01393	63.5
83.05027	4.8
83.61387	1.2
85.02957	14.0
87.00878	7.4
89.02454	14.5
91.01880	1.4
91.05572	1.8
93.03440	2.2
94.64141	1.4
95.01373	2.5
95.05042	9.8
96.99320	1.6
97.02950	5.8
97.06608	1.3
99.00898	7.5
99.04517	3.1
101.02443	7.1
107.05070	2.3
108.02155	9.7
109.02993	8.5
111.00883	3.3
111.04529	16.9
112.98846	2.1
113.02460	5.3
115.00364	2.4
117.01952	2.7
119.03494	3.9
122.03676	1.6
123.04507	11.1
124.98790	5.1
125.02461	3.5
127.04012	5.6
129.01918	3.2
129.04562	1.3
131.05037	3.5
135.03006	60.2
135.04533	2.4
136.03325	1.6
137.02451	2.0
138.03203	7.5
139.04024	9.9
142.99866	63.5
145.01443	5.2
147.03070	2.7
147.08194	10.8
151.04016	5.1
153.01906	2.7
159.02937	2.0
161.04468	2.4
167.03508	25.2
168.03819	1.9
173.00932	11.6
173.06087	24.9
174.06487	2.0
185.06076	2.2
185.09799	6.4
193.62967	1.4
199.07693	6.7
199.11272	4.0
201.09160	2.0
213.09204	3.6
215.10739	3.2
225.09219	12.2
225.14909	9.4
227.10760	4.1
231.10251	26.9
243.10291	10.1
251.07027	1.6
253.08617	2.7
255.10472	2.2
269.08044	2.3
271.09753	4.0
273.17053	4.0
283.09778	2.9
287.09213	2.1
299.09274	4.3
327.08865	3.0
345.09863	6.2
359.11441	7.0
361.12988	7.4
377.12164	3.1
387.10889	10.6
405.11923	100.0
405.20502	3.1
406.12393	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	405.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62723	5.4
59.01387	86.6
61.78558	5.8
61.98836	47.7
66.24866	5.3
69.96473	27.0
69.96855	10.3
70.17605	5.3
71.01398	49.5
72.99306	7.2
73.02953	13.2
75.00880	24.3
83.01439	6.7
85.02968	26.7
87.00896	16.4
89.02457	30.5
95.01425	6.2
96.04590	6.1
99.00880	18.1
101.02450	21.5
103.00371	8.1
111.04522	17.1
113.02453	41.1
114.05619	84.7
117.01951	8.8
119.03506	6.2
130.16634	5.7
141.01913	8.9
149.02431	8.5
151.04073	5.9
156.06680	46.3
177.02019	6.1
188.09285	10.0
231.04904	5.8
249.06175	100.0
267.07297	8.3
305.75049	5.8
315.71585	6.5
369.14032	44.4
405.11249	44.2
406.13916	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.1
58.00613	6.0
59.01388	34.3
60.01725	0.8
69.27495	5.0
69.27902	2.0
71.01392	14.7
72.99311	2.0
73.02942	4.8
75.00874	1.8
78.97606	0.7
83.01398	2.1
83.05042	1.0
85.02965	5.1
85.06600	0.7
87.00899	5.7
89.02454	11.1
91.01924	3.8
93.03465	11.7
95.01399	1.6
95.76690	0.7
97.06593	1.8
98.20741	0.9
99.00898	2.1
99.04568	1.1
101.02449	7.3
103.00380	2.8
103.03986	0.7
103.57615	0.8
106.04287	1.2
107.05046	12.9
108.02197	5.7
109.06637	1.4
111.08154	0.8
112.98845	3.0
113.02465	5.9
119.03533	3.8
119.05062	4.4
121.02960	1.2
123.00925	0.8
123.04546	12.8
123.08210	1.0
123.76660	0.7
130.04305	1.1
131.03497	1.2
131.05058	1.7
133.02974	1.0
135.03070	0.8
135.04536	2.2
135.08220	0.8
137.02502	1.0
137.06120	0.9
137.09659	0.8
139.11333	0.9
141.09251	0.9
143.03531	1.1
147.04546	4.7
149.06100	13.8
152.01167	9.1
153.01578	0.8
153.09236	2.5
155.10648	0.7
157.08705	0.9
161.04581	2.3
163.04025	2.5
165.05586	100.0
166.05905	6.0
167.03514	33.8
167.04948	1.5
168.03822	2.1
175.04024	3.1
179.05670	1.3
181.12418	1.8
187.09810	1.1
193.05080	22.9
194.05527	0.8
195.06772	0.8
196.07791	0.7
199.13547	0.7
209.04546	2.1
217.10860	4.9
222.99359	0.7
225.11351	1.9
231.12447	0.9
237.04105	5.5
238.07266	0.7
243.12389	1.7
243.16098	1.0
257.13879	1.3
267.07861	2.0
269.09454	0.8
273.17163	3.8
281.09445	4.9
283.10962	1.0
285.12729	1.4
287.18616	4.3
293.09317	1.9
295.07401	1.0
296.08032	1.9
311.10370	14.2
312.10855	1.2
329.11423	5.3
330.11594	0.9
375.14474	1.3
387.23944	4.2
405.08194	1.5
405.12708	1.0
405.16849	1.4
405.25226	23.9
406.25302	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	403.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01720	1.1
61.98842	1.2
70.69260	2.3
73.63605	0.9
93.07089	2.1
101.71655	0.8
119.04984	0.7
132.53137	0.8
213.18591	4.4
223.07520	0.9
280.01007	0.7
343.28574	2.3
347.53061	0.7
403.15588	1.4
417.56067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98845	57.3
69.70146	37.3
97.06693	6.2
130.08679	7.2
151.03957	6.5
205.01364	9.2
206.01758	9.9
211.13438	14.6
271.36212	8.4
404.18039	10.4
405.17502	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
61.98823	1.4
71.01384	1.2
71.11887	1.5
71.12234	0.8
73.02949	2.1
92.06310	0.7
96.96008	0.7
102.64785	0.6
107.04968	0.7
108.02195	1.1
131.03575	0.7
135.04541	1.0
165.05650	0.8
167.03519	2.1
217.08705	1.0
225.22293	3.4
226.09982	1.2
235.34222	0.7
241.12379	0.8
253.21600	0.7
269.11813	0.7
271.22809	100.0
272.23157	10.9
313.10812	2.2
359.16254	0.7
403.15222	1.2
403.27405	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	403.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	43.8
59.28449	23.4
61.98829	36.6
64.55849	23.1
65.49356	29.6
71.18257	40.6
108.02176	31.1
123.04515	33.8
144.04323	24.1
167.03488	100.0
217.08745	30.2
233.06055	63.9
289.12357	33.8
327.51822	27.8
341.80524	34.9
403.15543	95.5
403.28870	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98832	74.0
71.54844	34.7
72.14825	22.5
73.20461	25.4
88.98808	26.7
124.01626	28.8
129.16058	27.6
156.38863	27.3
167.03481	68.3
259.13354	71.0
271.22794	33.2
319.15448	62.5
331.19104	42.2
403.09109	27.0
403.19940	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82771	6.4
58.22488	5.1
59.01374	22.4
59.01666	4.5
61.52568	6.0
61.98840	9.3
69.38358	44.5
87.04556	6.0
87.90577	5.6
96.96010	5.7
108.02222	7.8
167.03499	12.5
172.00594	5.6
174.58495	5.0
175.29234	5.9
180.04347	8.4
217.08684	8.5
219.06578	7.5
250.46341	6.4
263.07108	8.3
271.22836	100.0
272.23212	7.0
317.21027	8.1
358.21255	6.3
359.25958	15.9
403.20013	9.8
403.24393	33.4
403.59747	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	403.1977
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01860	1.1
57.03454	9.1
58.00568	1.8
59.01385	77.1
64.11671	0.6
64.20432	0.5
65.47765	0.6
69.03424	0.7
69.72931	3.3
71.01389	44.7
72.01697	1.0
72.99285	2.8
73.02953	9.8
81.03451	1.5
83.01394	5.0
83.05013	1.0
84.35043	0.5
84.36299	0.6
85.02478	0.7
85.02956	11.2
87.00887	5.7
89.02454	50.1
89.96499	0.5
90.02772	0.6
95.01407	3.0
95.04997	1.3
97.02907	1.7
99.00863	1.8
99.04498	1.1
99.08092	1.2
101.02454	32.1
109.06577	1.8
111.04497	1.2
113.02466	19.6
113.06013	0.7
119.03515	24.5
122.06118	2.0
123.08180	6.9
124.05307	9.3
125.02442	1.5
131.03548	3.0
135.08105	0.9
136.05318	3.0
137.06065	0.8
137.09717	0.7
139.07663	42.8
140.07961	1.3
141.09200	1.5
143.03531	3.6
143.04492	0.7
143.10764	1.1
149.04532	2.8
149.09712	1.1
151.07661	19.2
151.11270	2.8
151.57758	0.6
152.07985	1.1
153.01903	0.7
153.09181	1.8
159.02983	0.7
161.04593	7.6
161.09712	3.2
163.07617	2.4
163.11261	4.0
164.08295	0.8
165.09174	1.5
166.05070	2.1
168.04274	0.8
169.08699	2.0
170.08965	0.7
175.07593	1.2
177.04037	0.8
177.09253	1.3
179.05649	9.3
179.10788	15.9
193.12358	11.1
194.12691	0.7
195.05106	1.4
203.05624	1.0
203.10759	3.3
205.12354	8.8
206.12740	0.7
211.13414	4.0
221.06714	0.9
221.11821	3.4
223.11377	1.1
223.13406	15.8
224.13818	1.2
241.14467	100.0
242.14853	7.5
255.52379	0.6
306.07791	1.6
373.18842	1.9
403.19824	33.1
404.20142	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	403.1975
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01884	3.7
57.03455	6.4
58.00602	3.7
59.01388	100.0
60.01710	1.7
61.00255	0.9
64.02718	0.9
69.03470	1.1
71.01391	63.2
71.54912	1.4
71.55322	1.1
72.01746	1.0
72.99313	3.9
73.02960	10.2
75.00880	1.6
79.69866	0.9
83.01394	6.4
84.24890	1.0
85.02962	16.7
87.00888	3.1
88.04076	1.0
89.02454	52.9
95.01398	5.4
96.96012	3.8
97.02979	1.4
99.00900	3.5
101.02457	48.7
103.00319	0.9
113.01858	0.6
113.02462	26.7
119.03516	27.7
119.04350	1.7
123.08167	1.7
123.68663	0.9
124.05339	2.2
125.02476	1.2
131.03531	2.6
136.05272	1.3
139.07657	12.0
143.03497	4.7
143.10803	1.0
149.04575	3.3
151.07683	3.8
153.09355	0.9
159.02997	1.3
161.04556	12.0
166.02689	1.1
179.05646	6.1
179.10754	4.3
179.14429	1.7
181.05128	1.8
181.08690	1.0
193.12411	1.5
205.12354	3.1
211.13535	1.1
221.11880	1.1
223.09891	1.2
223.13385	5.8
241.14465	24.7
242.14783	2.2
265.71469	0.8
271.12018	1.1
271.15625	4.9
359.20911	1.4
403.19818	57.8
404.20071	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	403.1977
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
50.10432	0.7
55.01873	1.4
57.03444	2.7
58.00595	1.1
59.01385	46.5
59.06424	0.6
69.03458	1.0
71.01390	25.4
71.05022	1.2
72.99304	1.5
73.02953	6.3
83.01408	4.0
84.97103	0.6
85.02964	7.7
86.00098	1.2
87.00877	4.9
89.02441	3.6
95.01370	1.3
97.02982	1.1
99.00880	2.1
101.02445	12.5
113.02457	4.9
119.03472	0.8
123.08277	0.6
124.01614	1.1
125.02462	1.5
153.12840	1.6
167.14461	0.6
174.01688	1.9
176.08588	0.6
181.12375	2.7
182.12358	0.7
193.04945	0.8
198.06895	2.0
199.07649	0.8
199.13412	21.7
200.13756	1.4
213.14809	0.6
241.14418	0.9
255.16005	1.4
307.15378	1.2
343.17615	21.5
344.17834	2.2
361.18689	55.5
362.19104	6.7
385.40842	0.7
403.19733	100.0
404.20078	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	403.1977
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
52.95328	0.5
55.01882	2.8
57.03454	5.6
58.00605	2.8
59.01385	75.8
60.01712	1.1
61.98841	0.6
66.03484	0.5
69.03461	1.4
70.67047	0.8
70.67376	1.0
71.01389	59.2
71.05016	0.6
72.01727	0.8
72.99313	3.9
73.02956	11.1
75.00875	1.6
81.03461	0.6
83.01392	6.7
85.02964	18.1
86.03283	0.5
87.00891	2.7
89.02452	38.1
95.01400	4.3
95.05040	0.8
97.02968	2.2
97.06620	1.0
99.00886	3.6
101.02451	35.4
102.02841	0.5
102.43945	0.5
109.02960	0.7
109.06602	1.6
111.04528	1.1
113.02462	23.0
113.06042	0.5
114.02765	0.7
115.04060	0.7
119.03515	14.1
123.08161	2.4
124.05301	3.0
129.01965	0.6
131.03520	1.2
136.05289	2.1
137.09750	1.1
138.06845	0.7
139.07658	19.2
140.08035	1.1
143.03514	2.1
143.04536	0.7
149.04559	1.0
149.09796	3.1
151.07646	7.0
153.09229	0.8
159.02998	3.3
161.04570	14.9
161.09683	2.6
162.04837	0.5
163.07661	1.0
163.11307	0.8
167.10870	0.7
169.08688	1.2
177.09172	1.0
179.05597	2.5
179.10800	9.0
180.11206	0.6
181.08623	0.8
193.12317	3.7
197.11867	0.6
205.12386	1.5
207.72995	0.6
221.11894	1.4
223.13387	7.3
224.13632	0.6
241.14470	100.0
242.14807	9.5
268.39359	0.5
271.15469	2.0
283.10831	0.7
285.13342	0.7
294.85056	0.5
300.40640	0.5
403.19992	14.3
404.15134	0.6
404.20123	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	403.1976
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
52.58179	0.7
55.01872	2.0
57.03447	10.7
58.00583	2.4
59.01384	78.4
60.01681	0.7
71.01386	50.6
71.05004	1.1
71.21394	1.1
72.01717	1.1
72.99295	2.2
73.02945	9.1
75.00848	0.7
77.53389	0.6
81.03455	1.6
83.01399	4.6
83.05024	1.3
85.02961	12.2
87.00891	4.6
89.02451	50.4
90.02807	1.0
95.01385	3.1
95.05024	1.5
96.85046	0.6
97.02959	2.2
99.00876	2.4
99.04510	1.9
101.02451	33.2
109.06564	1.7
111.04571	0.8
113.02457	21.5
119.03513	27.5
121.06587	0.9
122.06081	1.2
123.04550	1.0
123.08179	7.8
124.05299	11.2
125.02415	1.2
131.03526	2.9
136.05305	3.2
137.09698	1.3
139.07663	45.6
140.07979	2.4
141.09204	0.8
143.03561	3.8
143.10753	0.9
149.04549	3.0
149.09732	1.6
151.07657	19.4
151.11269	2.6
153.09204	2.0
155.03401	0.9
159.03014	0.7
161.04559	8.7
161.08470	0.7
161.09700	2.8
163.07671	1.9
163.11282	4.3
165.09206	2.0
166.05098	3.1
167.03386	0.7
169.08682	1.9
175.07634	0.9
179.05612	9.0
179.10783	19.8
180.11157	1.4
181.08775	1.3
187.11246	1.3
193.12367	10.2
194.08232	0.7
202.49815	0.7
202.74329	0.7
203.05618	1.6
203.10785	3.5
205.12358	9.5
206.12614	1.0
211.13402	3.4
221.11888	4.4
223.13406	15.2
241.14468	100.0
242.14783	8.2
266.04724	0.8
403.19806	36.7
404.15598	0.9
404.20258	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	403.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38173	0.6
59.01377	1.3
77.35177	0.7
86.05486	0.7
117.03479	4.0
121.42534	0.7
152.69286	0.7
158.07423	1.0
191.74779	0.7
199.04100	0.9
209.06039	2.0
221.05994	1.1
264.04300	2.1
265.05060	12.7
266.05551	2.2
277.05139	2.3
278.05585	1.0
280.07480	3.6
303.10638	0.6
303.18381	0.7
304.07364	1.6
312.06464	7.9
313.22119	0.6
318.08987	1.1
319.09760	15.5
320.10083	1.6
388.16864	6.2
403.19156	100.0
404.19513	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	403.1614
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
56.07363	0.8
58.00603	0.9
59.01386	72.7
60.01723	2.3
60.13594	0.8
61.98538	1.4
61.98838	19.9
68.97292	0.8
69.03458	2.8
69.70290	3.8
71.01009	1.5
71.01386	21.2
72.99320	1.9
73.02958	3.6
75.00890	2.2
83.01375	1.1
85.02970	6.9
86.62113	0.9
87.00895	2.5
89.02454	13.4
93.03455	2.7
95.01402	1.8
95.05044	2.1
96.96040	1.3
97.02964	0.9
97.06593	1.2
99.00872	2.0
101.02451	13.4
107.05028	3.2
113.02473	8.1
119.03529	6.1
119.05031	1.5
121.06625	2.2
123.04567	1.7
123.08147	1.2
129.01927	1.1
131.03539	0.9
133.06635	1.0
135.03000	1.0
137.02463	5.1
145.06618	2.1
146.03886	0.9
149.02496	1.8
149.09732	15.0
151.36311	0.9
161.04584	3.7
161.09729	19.0
163.07706	2.4
166.05151	1.1
177.04065	2.9
179.03491	1.2
179.10785	26.2
180.11145	1.7
181.05112	1.0
195.05095	3.8
202.52728	0.9
221.06630	1.0
223.09798	2.8
225.04068	2.5
226.07169	0.9
241.10704	1.1
255.12399	1.1
268.15375	0.9
340.07587	1.3
403.16153	100.0
404.11990	1.9
404.16498	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	403.1614
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01878	1.5
57.03449	1.4
59.01387	81.6
60.01704	1.5
61.98812	2.6
66.65244	0.8
69.03459	2.1
69.46028	4.1
69.46441	2.4
71.01389	25.9
72.99309	2.4
73.02958	7.5
75.00873	1.4
78.15636	0.8
83.01407	2.1
85.02956	10.4
87.00876	4.2
89.02451	17.8
93.24438	0.8
96.80393	1.0
96.95992	1.6
98.19850	1.0
99.00887	2.6
101.02450	17.2
109.06593	2.2
113.02461	10.8
119.03513	7.3
119.05034	1.4
121.02899	1.1
121.06592	2.1
123.08196	1.1
129.01926	0.9
131.03537	2.0
131.35429	0.8
137.09709	1.4
145.06570	2.3
151.02898	1.1
153.01892	1.1
153.09218	2.2
154.08728	1.3
159.03033	1.0
161.04590	6.2
161.09746	2.1
163.07657	4.1
166.02742	1.2
166.05089	1.2
166.06383	1.1
175.43520	1.0
179.05603	2.4
179.07106	0.9
179.10805	2.6
181.05063	3.1
181.08681	3.2
183.03046	0.9
195.05092	1.7
196.07465	1.5
199.25761	0.9
221.06604	1.0
223.09923	1.2
231.52910	0.9
241.10796	1.1
241.14438	4.3
255.12407	1.9
277.78064	0.9
279.85626	0.9
335.92194	0.9
403.16080	100.0
404.16425	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	403.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07363	0.8
58.00603	0.9
59.01386	72.7
60.01723	2.3
60.13594	0.8
61.98538	1.4
61.98838	19.9
68.97292	0.8
69.03458	2.8
69.70290	3.8
71.01009	1.5
71.01386	21.2
72.99320	1.9
73.02958	3.6
75.00890	2.2
83.01375	1.1
85.02970	6.9
86.62113	0.9
87.00895	2.5
89.02454	13.4
93.03455	2.7
95.01402	1.8
95.05044	2.1
96.96040	1.3
97.02964	0.9
97.06593	1.2
99.00872	2.0
101.02451	13.4
107.05028	3.2
113.02473	8.1
119.03529	6.1
119.05031	1.5
121.06625	2.2
123.04567	1.7
123.08147	1.2
129.01927	1.1
131.03539	0.9
133.06635	1.0
135.03000	1.0
137.02463	5.1
145.06618	2.1
146.03886	0.9
149.02496	1.8
149.09732	15.0
151.36311	0.9
161.04584	3.7
161.09729	19.0
163.07706	2.4
166.05151	1.1
177.04065	2.9
179.03491	1.2
179.10785	26.2
180.11145	1.7
181.05112	1.0
195.05095	3.8
202.52728	0.9
221.06630	1.0
223.09798	2.8
225.04068	2.5
226.07169	0.9
241.10704	1.1
255.12399	1.1
268.15375	0.9
340.07587	1.3
403.16153	100.0
404.11990	1.9
404.16498	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	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
58.00592	2.7
59.01384	76.8
60.01723	1.1
70.31263	1.0
71.01387	42.6
72.99312	3.5
73.02951	4.7
75.00886	2.7
80.05075	1.2
83.01402	7.0
83.90639	1.1
85.02963	8.9
87.00892	3.1
89.02451	44.2
95.01407	3.3
97.02957	1.3
98.19855	2.2
99.00887	1.2
99.04521	7.0
101.02445	19.6
109.02950	1.0
109.06642	1.1
113.02455	17.4
119.03500	20.2
122.06128	4.5
123.04514	1.5
124.05326	2.0
131.03540	2.1
132.04573	4.7
135.02988	3.4
135.11803	6.2
142.99869	3.5
143.03506	2.8
143.05034	1.2
145.06581	1.6
147.03276	2.2
148.04050	1.4
149.04549	2.4
150.05618	2.4
152.07184	3.7
158.02483	2.5
160.04042	3.0
160.05310	1.2
161.04565	3.4
161.09717	4.4
165.05527	1.6
175.02773	1.7
176.03529	4.3
179.05669	5.4
179.10788	49.8
180.11148	3.3
180.29057	1.1
190.05135	5.5
199.90817	1.1
206.04530	2.5
212.05898	1.2
223.09772	100.0
223.13362	5.2
224.09999	7.8
225.09898	1.2
226.07462	1.5
227.08255	1.8
239.08205	1.7
239.11885	7.5
241.10513	1.7
243.11391	1.6
250.07428	1.3
253.06224	6.6
254.06717	1.8
255.07907	1.5
255.11949	1.3
255.16013	5.4
265.06061	1.3
267.07614	1.9
268.08420	3.6
271.15469	4.3
281.09302	3.6
283.10870	20.8
284.11264	1.6
294.06503	1.2
309.08856	8.5
315.13361	1.1
327.09879	23.1
328.10107	3.8
341.11276	1.6
353.07916	1.4
371.08792	27.8
372.09186	3.9
403.11172	19.0
403.16003	23.1
403.19629	1.6
403.23920	2.3
404.11206	2.1
404.16156	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	403.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03451	3.7
58.00581	2.9
59.01386	100.0
69.03449	2.7
71.01389	44.6
71.05029	2.6
72.99299	3.9
73.02957	6.8
81.03468	1.7
83.01398	2.8
85.02954	10.0
87.00892	3.0
89.02459	45.2
95.01392	3.5
97.01157	1.5
98.41122	1.5
99.00910	1.8
99.04519	5.0
101.02450	25.1
111.04556	1.9
113.02468	18.5
113.06063	1.5
119.03508	16.8
123.08150	3.4
126.12723	1.7
135.02985	1.9
135.11760	3.0
137.09875	1.6
138.06857	1.7
139.07651	2.1
143.03505	3.7
145.85263	1.7
151.07642	1.6
153.09229	3.7
161.04596	3.5
161.09711	1.6
179.05606	3.1
179.10783	27.3
211.13416	1.5
211.55699	1.4
223.09778	63.1
223.13367	4.4
224.10115	3.9
241.14406	5.7
255.12408	7.4
255.16170	1.7
271.12189	2.1
271.15527	25.0
272.15744	2.4
285.17136	6.8
331.17624	2.1
403.11621	1.9
403.19901	34.8
403.24362	2.6
404.20163	3.1
406.87753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1402
Annotation	Flustramine H
Peak:m/z	Relative Intensity
57.03428	0.4
59.01382	6.7
69.40729	2.1
71.01395	0.7
73.02943	0.3
81.03463	2.1
91.01862	0.5
93.03455	0.4
98.13664	0.3
100.94688	0.3
101.06078	0.6
108.02187	1.1
109.02975	0.7
111.33282	0.4
113.02405	0.4
122.03752	18.9
123.04051	0.6
124.01727	0.3
125.02458	1.4
135.04533	0.4
137.02454	1.5
150.03285	0.4
153.01976	0.5
156.05812	0.4
169.06596	1.0
169.10223	2.1
171.08173	8.1
172.08545	0.7
211.07643	0.5
211.13414	0.7
213.09225	100.0
214.09563	9.6
237.09065	0.3
239.07184	2.3
241.08641	0.4
255.10312	0.4
257.08261	1.3
271.15488	0.9
293.92392	0.3
361.29544	0.4
402.18079	0.3
403.14014	60.3
404.14392	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	403.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
56.99432	1.3
57.03452	1.9
58.00592	2.2
59.01386	100.0
61.98839	11.2
69.03475	2.2
70.03516	2.1
70.03927	4.5
71.01387	38.6
72.99317	3.3
73.02944	6.2
75.00879	2.6
81.03455	1.4
83.01411	5.7
85.02958	13.1
87.00887	4.8
88.74818	1.4
89.02455	29.3
93.03452	2.8
95.01402	7.1
95.86024	1.1
96.96026	3.2
99.00909	3.4
101.02452	21.6
107.05020	1.5
109.03008	3.5
111.00903	3.3
113.02470	14.3
119.03522	12.0
119.05033	1.3
120.05414	1.1
123.00896	16.4
123.04562	2.3
125.02493	1.3
127.00394	2.8
129.01929	1.7
131.03520	1.7
134.03726	1.3
135.08232	2.1
136.98814	1.7
137.02478	9.6
138.03281	6.9
139.00381	7.8
139.04034	1.8
143.03525	2.1
143.08716	1.9
148.05412	2.0
149.02524	1.4
149.09735	12.6
151.00432	1.9
153.01991	5.1
153.05585	2.8
154.02773	1.7
161.04599	3.8
161.09727	11.6
162.03304	1.3
163.04031	1.8
163.07637	2.7
164.04799	1.9
165.01947	8.4
166.05101	2.2
177.04135	1.8
177.05571	2.5
179.07210	3.3
179.10783	19.6
179.12201	1.2
180.04323	3.5
180.11182	1.3
188.04941	1.3
190.06418	1.8
191.03448	1.1
193.01440	20.6
193.08682	1.5
194.02057	1.6
195.04999	1.4
195.06712	2.0
207.03020	1.7
207.06732	1.4
208.03796	36.8
209.04233	3.8
212.98831	1.1
215.11067	1.2
223.06134	95.4
224.06500	8.3
228.23291	1.5
241.07193	1.2
241.10934	1.6
241.14685	1.1
251.05702	2.2
267.07224	1.7
371.10034	4.7
403.16296	73.2
404.16534	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	403.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.0
57.03452	2.4
58.00614	1.9
59.01385	100.0
60.01726	1.2
61.98840	13.6
69.03463	2.1
69.50025	3.0
69.50430	5.1
71.01386	33.3
72.99308	3.1
73.02957	5.8
75.00893	2.0
81.03519	1.6
83.01418	5.7
85.02955	11.0
87.00885	4.3
89.02460	30.1
93.03477	4.0
95.01392	5.9
96.96028	4.6
99.00937	1.6
101.02457	20.9
107.05025	1.4
109.02984	4.2
111.00897	4.6
113.02450	15.0
119.03525	10.7
119.05074	2.4
121.02982	3.0
121.33527	1.1
122.02510	1.2
122.06127	1.6
123.00897	15.9
123.04548	1.4
125.02452	1.4
127.00368	3.3
131.03526	1.4
134.03725	1.4
135.08260	2.1
136.98833	3.4
137.02486	12.3
138.03261	8.2
139.00392	6.4
139.04045	1.8
145.06555	1.5
148.05368	2.0
149.02441	2.4
149.04639	1.5
149.06168	1.8
149.09721	11.0
151.00461	2.0
151.04050	1.9
152.04788	1.2
153.01968	2.8
153.05585	2.1
154.02696	1.5
161.04562	6.1
161.09734	11.8
163.04063	2.2
163.07698	3.4
164.04858	1.6
165.01939	11.2
166.05176	1.5
177.04131	1.9
177.05589	3.5
178.02672	1.6
179.03525	1.8
179.07205	3.1
179.10791	17.7
180.04279	4.2
181.05086	2.5
193.01419	21.9
195.06665	2.0
205.08740	1.3
207.06691	1.7
208.03783	36.0
209.04257	2.0
223.06131	93.0
223.09830	3.8
224.06517	6.0
251.05713	3.6
251.31192	1.1
262.00848	1.1
267.07336	2.6
269.72055	1.1
271.68750	1.2
353.08823	1.6
371.09915	4.4
373.88565	1.2
385.11322	1.3
403.16266	76.4
404.12216	1.6
404.16528	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	26.0
60.01710	0.4
60.41317	0.3
61.98827	1.0
70.49329	0.3
71.01389	0.4
71.54412	0.5
72.90140	0.3
85.62177	0.4
96.96017	0.3
107.05049	1.0
122.12845	0.4
128.98257	0.3
133.02965	1.1
135.04539	3.0
143.10759	0.7
145.02968	0.9
161.02472	0.4
165.01982	0.6
167.03444	0.4
177.01939	5.1
178.02373	0.5
205.01436	100.0
206.01764	5.7
220.03775	16.1
221.04156	1.5
225.09146	0.5
226.10039	4.0
236.08762	0.5
241.12328	2.4
242.12767	0.6
269.11829	1.0
300.49649	0.3
313.10828	4.8
314.11194	0.5
335.16956	0.4
343.28571	0.9
344.28906	0.4
371.15695	0.3
403.17395	3.9
404.17386	0.5
428.73718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85071	1.3
53.89792	1.3
55.01894	2.4
57.03448	2.1
59.01385	99.5
60.15965	1.4
65.00367	1.6
71.01385	25.3
71.04987	1.3
71.55464	1.7
72.99335	1.6
73.02953	10.5
75.00893	1.2
83.01360	2.9
83.05047	2.1
85.02968	8.4
87.00880	2.6
89.02460	11.8
95.01388	3.4
97.06601	13.0
99.00914	3.2
99.08142	3.4
101.02457	17.1
113.02460	12.1
119.03503	3.3
121.02972	34.8
122.03758	2.0
125.09727	1.5
138.80788	1.4
151.11284	1.7
153.12878	97.6
154.13205	5.8
155.10788	1.6
159.02992	1.4
161.04605	7.0
164.04860	1.4
167.03549	1.4
179.07164	1.9
179.10786	32.9
180.11099	2.8
181.06673	2.5
181.12390	1.6
194.00067	1.4
197.11855	100.0
198.12218	5.8
221.11859	4.0
225.05609	1.7
227.03339	1.7
239.12943	1.9
257.21155	1.9
265.18130	3.6
269.10239	1.4
269.17694	3.7
283.19150	12.4
313.07269	10.9
323.67789	1.5
327.21854	2.6
343.04678	3.5
357.06201	2.9
357.13147	1.4
383.20746	1.6
401.08719	10.2
401.21735	6.1
401.26074	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	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03358	1.0
53.55321	1.0
57.03453	2.8
59.01384	66.5
61.33244	1.2
62.51164	1.1
70.72848	3.0
71.01395	3.6
73.02953	3.1
83.05048	1.3
85.02959	2.0
87.00869	1.9
88.14475	1.1
89.02462	8.8
97.89632	1.1
99.04552	3.0
101.02472	2.3
102.38638	1.2
109.06563	1.5
109.56283	1.1
113.02425	1.4
127.07651	1.4
129.09688	1.2
131.03526	1.9
149.04572	32.2
165.12840	9.5
189.12802	1.7
207.13905	14.1
209.11848	12.3
225.15062	6.3
251.12938	4.9
253.14536	1.3
269.13965	100.0
269.17520	21.8
270.14322	7.7
270.17667	2.3
351.95233	1.2
377.63434	1.1
401.17935	21.3
401.26126	1.7
402.18582	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	401.1819
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
51.50372	0.9
55.01868	2.5
56.67293	0.9
57.03459	5.7
58.00582	2.0
59.01386	54.8
67.91877	1.1
69.03456	3.6
71.01388	30.5
72.99310	2.8
73.02950	8.6
75.00893	4.0
83.01395	4.2
85.02959	14.1
87.00885	2.6
89.02463	12.3
93.03438	1.0
95.01404	2.7
97.06603	1.1
99.00882	6.0
101.02454	19.2
107.05036	6.4
113.02470	13.2
117.01935	1.3
119.03530	4.1
121.02953	5.8
123.08167	4.7
135.04588	1.4
151.04013	13.1
161.04607	6.5
164.04849	1.4
177.12819	6.2
179.07133	2.3
182.02191	6.3
185.01038	1.3
195.13879	1.6
197.04567	7.2
214.56792	1.1
220.99481	1.2
221.11874	4.9
238.25792	1.0
249.06148	8.4
253.14613	2.4
269.14066	3.7
269.17667	5.9
274.07639	1.1
401.10007	5.6
401.18250	100.0
402.18552	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
52.30798	0.9
55.01877	8.1
57.03449	6.2
58.00592	1.3
59.01383	55.5
59.95762	0.9
64.04941	1.2
69.03447	2.7
69.34229	7.8
71.01389	95.4
72.01724	1.9
72.99307	2.8
73.02952	45.0
75.00883	3.9
75.28205	1.0
83.01394	17.0
85.02959	46.4
86.03281	1.1
87.00391	0.9
87.00881	5.9
89.02454	19.5
95.01427	6.1
97.02937	4.6
98.19951	2.0
99.00882	16.1
101.02453	76.2
102.02789	2.6
111.00897	1.7
113.02463	35.7
114.02788	1.9
115.04003	3.5
125.02453	9.1
129.01967	1.9
131.03482	5.0
134.75044	1.1
139.00415	1.0
141.01907	1.2
143.03488	4.3
149.04601	2.5
153.01904	5.2
159.02991	8.5
161.04567	57.9
161.33104	1.0
162.04918	2.1
164.04803	1.4
168.58652	1.2
179.05678	1.0
179.07199	1.4
187.53569	1.0
197.08176	1.1
198.42897	0.9
204.18845	1.0
207.10390	1.0
211.93356	1.2
230.15350	1.1
233.06667	7.8
234.06973	1.4
269.10321	100.0
270.10675	7.1
293.08746	3.6
314.10208	1.0
401.14566	81.3
402.14825	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	401.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.1
58.00591	1.3
59.01385	100.0
60.01710	1.8
61.98847	1.4
71.01393	23.1
72.99308	4.8
73.02960	7.4
75.00883	11.7
78.70560	1.1
83.01383	3.9
85.02957	14.4
87.00879	3.9
89.02456	12.8
93.03437	2.0
95.01408	1.8
99.00882	7.1
101.02451	12.4
106.36351	1.0
111.00858	2.4
113.02470	8.3
119.03500	4.4
121.02971	5.9
129.01955	11.2
135.04523	3.0
136.04074	1.2
137.02480	5.0
143.03516	1.2
146.03737	15.7
147.04462	3.7
149.02446	36.8
150.02791	1.6
151.03906	1.2
159.03011	3.9
161.04597	1.9
161.06078	4.3
164.04799	39.1
165.05101	1.8
176.61694	1.1
177.04079	13.9
177.05528	2.1
179.07152	48.6
180.07446	2.7
182.05872	1.2
182.34402	1.0
193.01488	1.1
195.05112	29.2
195.06802	2.5
197.08153	1.9
207.10068	1.4
208.03796	2.4
223.06125	43.5
224.06383	1.3
239.05577	3.5
283.15601	1.6
341.12201	3.4
359.13330	1.7
381.95825	1.3
401.10757	13.2
401.18381	10.8
402.11179	1.8
402.18390	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1608
Annotation	Sphenostylin D
Peak:m/z	Relative Intensity
58.22835	0.7
59.01387	7.3
61.98836	1.0
66.46868	0.7
71.01370	1.2
74.94066	0.7
96.96039	1.2
109.02930	0.9
121.02963	11.5
149.06070	1.5
169.86504	1.0
175.03983	1.0
177.05630	0.8
179.07204	1.3
207.41708	0.7
225.05721	0.9
225.09221	15.0
226.09563	1.6
227.10774	1.3
229.11093	0.9
237.09171	3.3
238.09987	1.6
239.10844	4.1
240.11586	9.2
251.10876	1.0
253.12361	1.4
255.13907	80.5
256.14200	6.2
265.08722	6.9
266.09219	1.9
281.11853	14.0
282.05255	1.0
295.17035	10.9
296.17313	1.1
299.12970	8.5
300.13208	1.0
313.07104	2.7
313.18137	1.1
325.10852	6.7
339.15976	10.9
339.28940	1.6
340.16473	1.0
343.11884	70.8
344.12198	10.2
401.16049	100.0
402.16415	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	401.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38228	0.8
55.52555	0.8
57.03455	4.7
58.00571	0.9
59.01387	100.0
60.01706	0.9
61.98819	1.3
64.32692	0.8
68.99818	1.0
69.03448	1.1
71.01393	9.8
71.27734	1.9
72.99297	2.2
73.02948	2.1
75.00884	6.4
83.01398	1.6
84.02149	1.5
85.02962	18.0
87.00869	3.3
89.02453	5.6
93.03471	3.1
97.02962	2.3
99.00914	4.9
101.01567	1.0
101.02436	2.9
111.00868	1.4
113.02455	3.1
113.66212	0.9
119.05000	1.6
121.02985	11.8
123.04552	2.1
129.01950	15.3
135.04561	2.3
137.02464	6.2
137.06105	16.7
146.03781	4.5
147.04549	4.8
149.02458	53.3
150.02794	2.5
151.00380	1.1
159.03006	3.0
161.04645	1.3
161.06061	2.2
164.04807	39.5
165.05145	2.7
177.04039	10.1
179.05916	0.8
179.07147	17.6
193.01442	2.7
195.05099	15.5
197.08171	1.9
208.03719	6.4
223.06142	75.9
224.06473	6.0
226.10545	1.1
239.09206	1.3
263.07852	1.4
341.12061	1.1
401.10376	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32571	1.2
56.77873	1.0
59.01386	100.0
68.99809	1.2
70.22148	3.9
71.01394	7.2
72.99293	1.2
73.02938	4.6
83.01427	1.3
85.02957	7.9
87.00883	20.5
89.02475	1.3
93.03462	6.0
95.01404	1.2
101.02451	3.6
107.05031	1.4
113.02432	3.4
121.02964	2.6
123.00872	1.4
129.01938	3.5
135.04489	2.2
136.24199	1.0
137.02475	12.8
137.06096	21.0
138.03186	1.6
138.06401	1.2
149.02475	10.0
151.00357	1.8
152.73132	1.1
153.05603	2.0
153.57187	1.1
161.02411	1.8
163.04059	2.6
164.04820	12.8
165.05508	1.2
166.02710	3.2
167.44716	1.4
176.04816	1.4
177.04147	1.4
178.06384	2.3
179.03500	3.1
179.07141	12.0
181.05052	5.1
191.03575	3.3
193.05145	1.8
193.08748	1.4
194.05858	2.4
195.05069	1.8
197.04578	2.8
203.03584	1.3
205.05078	1.7
208.03659	1.5
209.08186	3.8
219.02972	2.1
220.73138	1.4
221.04634	1.8
223.06116	10.5
263.07797	2.9
265.07184	22.4
266.07529	1.5
277.07123	4.1
281.08780	1.5
295.08304	7.0
325.09225	4.5
355.10336	1.6
399.00793	1.3
401.10846	34.2
402.11237	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	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65200	1.0
59.01384	100.0
59.90123	1.0
60.01717	1.0
67.99702	1.0
70.84835	2.1
71.01379	3.6
73.08992	0.9
83.01408	1.3
85.02937	4.1
87.00867	1.1
89.02458	1.4
93.02874	1.3
93.03468	17.5
95.01349	1.2
101.02454	1.1
113.02448	4.2
121.02937	1.8
126.50249	0.9
129.01991	1.1
137.02463	36.9
137.06042	3.1
138.02785	2.2
146.03754	21.3
149.02437	3.8
161.06061	6.7
164.04799	16.8
179.07149	59.7
180.07478	3.7
195.05058	1.0
197.08221	1.8
211.06119	2.7
223.06117	5.8
232.52060	0.9
239.05666	4.5
263.07712	9.6
281.08859	5.4
325.09296	2.2
335.04349	1.0
342.58688	1.0
401.10721	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	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94331	0.7
59.01386	100.0
60.01717	1.4
69.98766	2.1
71.01404	2.2
73.02950	0.9
85.02953	0.8
87.00888	0.8
89.02476	1.6
89.43745	0.6
93.70057	0.6
96.62479	0.6
101.02476	1.6
113.02477	1.1
119.05029	1.3
123.04617	0.6
137.06104	20.0
138.06429	0.7
146.03720	3.9
161.04674	0.7
161.06084	2.9
164.04839	2.2
177.59312	0.6
179.07156	6.2
223.06136	1.0
228.36795	0.6
401.18509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1092
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
59.01391	5.3
61.98825	1.6
68.99815	1.7
69.03448	1.2
71.01394	12.7
71.53314	1.4
72.99283	1.7
73.02953	6.7
75.00883	1.2
83.01389	1.3
85.02953	7.1
87.00886	62.9
89.02443	1.4
94.02998	1.6
99.00877	1.7
101.02436	4.0
107.05054	1.6
107.36711	1.0
109.02960	3.6
111.00932	1.5
113.02449	2.5
121.02943	3.7
123.00919	2.6
129.01894	1.0
129.36044	1.0
131.03488	2.3
135.04515	4.0
138.02014	1.1
138.03250	1.4
144.06772	1.1
147.03062	1.5
149.02435	5.4
149.06125	1.8
150.03195	1.6
151.00391	5.1
151.03976	2.0
152.01201	1.3
153.05624	1.7
156.32265	1.0
157.93686	1.1
159.04645	1.4
161.02425	3.8
162.03294	1.2
163.04012	11.5
164.04791	15.7
165.05582	4.6
166.02742	11.2
173.02380	1.3
175.04033	2.9
176.04774	5.9
177.01949	6.0
177.05588	4.4
178.02776	1.5
178.06340	10.5
179.03540	11.6
179.05551	1.4
179.07141	23.4
180.03810	1.4
180.07510	1.8
181.05084	13.9
182.05499	1.0
187.04021	3.2
189.01880	2.0
190.02754	1.3
190.06337	1.7
191.01984	1.3
191.03529	5.9
191.07187	2.5
191.63991	1.2
192.04233	4.1
193.05063	8.7
193.08762	5.4
194.05893	9.8
197.93192	1.0
202.06363	1.7
203.03493	3.7
204.04211	1.6
205.01436	1.7
205.05008	5.1
206.05881	2.6
207.03017	2.8
207.06674	6.4
209.08231	14.6
218.05836	2.3
219.03024	3.6
219.06555	1.7
220.03529	2.0
220.07414	1.9
221.04601	1.9
221.08183	3.0
222.05275	2.1
231.02998	2.0
234.05370	2.9
235.06119	2.9
235.09747	1.8
237.07709	5.4
239.05475	1.7
246.05472	1.6
247.02464	2.6
247.06154	1.5
249.07756	6.9
250.04829	2.1
251.09329	2.2
261.07578	2.4
262.04779	2.9
265.07196	51.8
266.07477	4.1
268.23315	1.2
277.07150	9.7
279.08777	2.2
281.06781	7.9
295.08264	25.1
296.08585	2.1
325.09262	9.1
341.11145	1.7
341.53214	1.0
355.10333	8.2
357.08304	2.3
383.09875	4.5
384.09854	1.3
401.10892	100.0
402.11273	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	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27174	1.6
59.01384	15.6
64.26097	1.6
67.95280	1.5
68.99834	3.5
69.53926	3.9
69.54335	7.0
71.01378	7.7
72.99331	2.4
73.02943	5.3
78.06435	1.6
83.01399	1.7
85.02955	6.7
87.00888	59.6
87.65747	1.6
95.01439	1.7
97.02909	2.1
99.00906	1.9
101.02475	3.6
111.00935	1.9
113.02478	2.9
121.02992	3.4
123.00883	5.1
129.01933	2.8
131.03525	3.5
135.04503	3.2
137.02426	3.8
137.06093	2.0
138.03230	2.7
149.02440	5.3
151.00340	2.4
151.04033	1.9
152.72202	1.5
153.05550	2.6
159.04527	1.7
161.02449	7.5
163.03999	22.6
164.04823	18.3
165.05557	5.4
166.02728	9.7
173.02400	2.9
175.04024	5.7
176.04729	11.3
177.01979	4.1
178.06371	16.6
179.03563	9.1
179.07161	35.3
180.07503	2.6
181.05017	10.9
187.04054	3.4
188.04671	2.1
191.03522	19.1
191.07141	7.0
192.04276	3.9
193.05095	8.0
193.08717	3.5
194.05928	7.9
203.03552	8.1
204.04189	2.5
205.01489	1.9
205.05066	10.7
206.05815	10.7
207.06606	3.3
208.07364	2.1
209.08171	10.4
218.05907	2.8
219.02933	5.6
219.06584	1.9
221.04601	4.4
221.08159	8.9
223.06122	3.9
231.02956	2.7
234.05334	3.3
235.06035	2.5
236.06990	3.7
237.07654	4.9
238.04771	2.3
246.05347	2.1
247.02505	7.8
247.06151	3.2
249.07698	5.2
251.09354	4.3
261.07663	3.6
262.04739	8.7
265.07190	65.1
266.07587	3.6
277.07169	30.2
278.07623	2.5
295.08255	83.7
296.08521	4.6
325.09225	4.0
337.09436	1.8
355.10333	21.7
356.10403	1.9
383.09781	8.1
401.10895	100.0
402.11508	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	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70903	1.8
57.03447	1.9
59.01381	27.9
61.98798	1.7
69.03456	2.5
71.01409	13.1
71.30098	2.3
71.30437	2.6
73.02950	5.9
75.00873	2.1
85.02950	8.4
87.00881	67.1
89.02465	2.6
93.03468	2.8
99.00871	3.7
101.02450	3.6
109.02895	2.2
111.00934	2.6
113.02444	4.6
121.03003	5.2
123.00900	3.3
129.01990	2.5
135.04489	2.5
136.22241	1.6
137.02454	5.8
137.06067	4.0
138.03223	4.0
146.03757	1.9
147.04532	2.9
149.02490	10.2
151.00375	5.3
151.04010	3.1
153.05562	2.5
161.02402	9.2
161.06114	2.6
163.04025	26.7
164.04793	20.9
165.05501	7.7
166.02702	8.7
173.02446	5.1
173.14369	1.7
175.04025	5.6
176.04820	17.1
177.01973	12.0
177.05447	4.5
178.06354	22.6
179.03516	12.0
179.07159	34.0
181.05107	11.7
187.04048	4.1
188.04854	3.9
190.02754	2.7
191.03545	20.9
191.07175	8.2
192.04237	7.0
193.05061	12.0
193.08701	3.2
194.05869	11.2
195.05090	2.5
203.03485	11.5
204.04341	3.0
205.05052	9.5
206.05862	8.7
207.03003	3.0
207.06596	11.4
208.07346	3.6
209.08205	11.3
215.69569	2.1
218.05872	4.6
219.02982	6.6
219.06496	2.9
220.03793	2.0
221.04498	6.4
221.08173	8.5
223.06155	7.1
224.03297	1.8
231.02882	3.1
233.08116	3.4
234.05379	5.2
235.06175	5.6
235.09729	2.0
236.06781	3.6
237.07648	6.5
239.09044	2.1
247.02536	6.6
247.06168	4.7
247.09808	3.5
249.07794	12.6
250.04831	3.2
251.09248	5.5
261.07736	5.6
262.04886	11.8
265.07193	71.9
266.07565	8.3
267.08868	2.5
277.07190	36.3
278.07620	2.9
279.08759	3.2
281.06677	7.9
295.08249	87.8
296.08624	7.2
323.07822	2.8
325.09335	4.2
337.09375	4.5
355.10318	20.4
356.10681	2.9
383.09869	11.8
401.10919	100.0
402.11163	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1091
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
59.01378	9.5
61.37164	1.2
61.98836	2.4
69.03465	2.2
71.01387	11.5
71.10573	2.3
72.77943	1.3
72.99324	2.1
73.02950	7.3
83.01389	1.7
85.02954	7.5
87.00883	76.2
87.60421	1.2
87.66796	1.2
88.01217	2.3
89.02451	2.3
97.02990	1.5
101.02460	4.1
102.89456	1.6
103.00378	2.3
107.05001	2.2
108.02262	1.6
109.02987	3.3
111.00923	1.5
113.02451	5.7
121.02988	2.1
123.00861	2.6
125.02398	1.4
131.03532	1.8
133.05064	1.7
135.04494	3.8
138.01970	2.8
138.03242	2.5
147.04361	1.5
149.02472	4.1
151.00383	6.2
151.03978	2.5
153.01921	1.8
153.05595	3.4
161.02428	4.1
163.04008	12.8
164.04826	12.4
165.05507	5.2
166.02713	13.7
173.02499	1.5
175.03996	2.4
176.04791	6.0
177.01901	7.8
177.05472	3.6
178.02557	1.4
178.06351	10.3
179.03545	13.6
179.07141	28.4
180.07507	2.6
181.05090	14.8
187.04019	3.9
188.04797	1.6
191.03551	10.3
191.07159	3.8
192.04282	4.9
193.05051	9.7
193.08684	8.3
194.05820	10.2
203.03540	3.9
205.05107	8.6
206.05824	4.8
207.03058	2.1
207.06688	8.1
209.08209	13.3
217.05072	2.2
218.05754	2.1
219.02913	3.5
220.03630	2.3
220.07326	2.3
221.04581	2.7
221.08177	3.6
222.05301	1.6
231.03026	2.0
234.05325	3.3
235.06216	1.6
235.09737	4.1
237.07663	6.2
247.02469	3.1
249.07704	7.9
249.10010	1.4
250.04927	1.6
261.07654	2.9
262.04697	2.2
265.07190	61.5
266.07599	4.8
277.07193	11.5
279.08752	2.8
281.06693	8.4
295.08215	27.9
296.08670	2.3
325.09259	11.6
355.10529	6.6
383.09937	4.5
401.10907	100.0
402.11234	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	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41500	2.3
59.01387	84.9
61.98836	20.9
71.01379	21.5
71.30286	3.7
72.99325	3.4
73.02961	7.6
75.00874	4.3
79.35780	2.6
81.03484	2.3
83.01401	7.4
85.02953	10.7
87.00893	3.3
89.02455	11.7
99.00890	5.7
101.02454	13.7
107.05039	3.2
113.02514	6.4
114.31108	2.4
119.03531	3.8
119.05045	3.1
121.02948	8.8
122.02502	6.0
122.03706	2.9
123.04531	3.8
125.02481	2.9
135.04535	11.7
137.02449	10.9
137.06114	7.6
138.03329	2.6
138.05339	2.8
147.04445	3.2
149.02499	17.9
149.06145	4.9
150.03113	3.2
151.04021	7.2
153.02122	2.8
159.04529	5.8
161.04541	3.5
161.06096	4.8
162.03246	3.9
163.04027	53.0
164.04832	19.2
165.05501	5.1
175.04025	9.8
176.04706	4.6
177.01965	41.8
177.05569	23.8
178.02708	3.2
178.06369	53.7
179.03581	16.2
179.07124	19.8
187.04066	18.0
188.04710	4.0
189.01863	3.7
189.05547	4.4
190.02730	9.2
190.06242	3.9
191.03455	5.7
192.04295	19.9
193.05087	19.1
193.08702	54.8
194.05794	4.5
194.08978	2.7
202.06360	8.0
203.03418	5.8
203.07149	3.1
204.04158	2.6
205.05074	47.4
206.02202	2.5
206.05507	3.9
207.03000	10.2
207.06647	36.2
208.07251	11.0
210.04163	3.1
217.08665	5.9
219.02930	4.2
220.07399	38.7
221.08020	4.3
222.05280	3.6
223.06068	10.1
223.09787	9.5
224.03288	11.0
225.07782	4.6
232.07387	3.5
234.05290	7.2
235.06085	3.9
235.09760	30.0
237.07710	17.9
247.09767	9.3
249.07764	17.5
251.09282	5.2
253.07225	5.8
261.07578	4.2
265.07178	10.8
267.08688	15.0
279.08759	4.2
281.06680	100.0
282.07053	7.6
295.11765	2.8
309.10056	2.7
321.09738	3.1
323.07742	5.2
339.10800	3.9
341.12415	5.4
357.12030	3.6
383.09958	13.2
401.10748	49.9
401.15396	3.7
402.11148	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	399.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77291	0.7
55.26742	0.8
57.03456	1.0
59.01385	86.5
59.71908	0.9
60.01723	0.9
69.03467	1.0
69.37701	5.8
70.53293	0.8
71.01379	8.2
71.05016	1.1
71.83244	0.7
73.02968	4.3
74.08595	0.8
77.18099	0.7
78.60234	1.0
83.01385	1.0
83.04990	0.9
85.02966	1.3
87.00891	3.0
89.02454	21.8
90.40650	0.8
101.02432	1.8
103.04030	2.4
113.02470	2.9
131.03554	4.6
137.02483	0.8
149.04570	100.0
150.04927	2.5
150.17389	0.9
150.49519	0.8
161.04640	1.2
161.13391	2.3
163.11287	0.8
187.15364	0.7
205.12335	0.9
209.06181	1.0
223.13408	72.1
224.13773	5.9
228.29231	0.8
267.12399	14.9
267.15582	1.5
268.12704	1.2
313.56989	0.8
314.57761	0.9
327.21527	0.9
399.11835	1.2
399.16577	13.5
400.17108	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	399.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21471	6.9
59.01381	100.0
61.98830	35.1
69.14541	6.4
69.79838	17.5
69.80235	15.2
71.01389	67.5
71.05038	6.6
71.91467	6.1
72.99322	15.9
73.02956	38.3
73.31857	6.8
73.72457	5.9
75.00859	11.4
77.11288	6.2
81.03465	14.4
83.01421	12.6
85.02951	46.3
87.00896	18.4
89.02451	41.2
99.00896	27.3
101.02457	85.1
103.03992	12.6
113.02443	30.7
117.05584	33.1
119.03558	12.0
122.74880	9.6
125.02436	19.6
133.05067	24.0
152.91786	8.0
159.03014	7.3
161.04567	30.8
193.07063	13.4
205.03505	22.3
218.13997	18.2
237.09927	35.1
254.32982	7.4
259.06879	6.7
267.10901	11.4
339.13129	34.9
380.31491	7.5
399.15338	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28973	1.1
56.32480	1.0
57.03445	2.1
57.24443	1.0
59.01392	8.4
67.14418	1.1
69.49861	2.2
69.50266	5.9
71.01387	5.1
72.99316	48.6
73.02946	1.7
75.00867	2.4
77.46736	1.1
81.03514	1.6
83.05019	1.2
87.00954	1.1
89.02462	2.3
93.03458	4.2
97.06593	7.9
99.00922	2.8
103.00377	5.9
107.05045	15.1
108.02193	14.5
109.02963	3.0
112.05316	10.0
117.03439	1.6
120.07157	1.1
121.02976	43.7
122.03802	8.9
123.04577	5.8
133.02937	1.2
134.03748	1.2
135.04547	13.0
137.02431	2.3
145.02945	3.2
146.03700	2.4
147.00900	2.6
149.02438	2.2
149.04543	5.5
150.03351	1.3
151.04018	4.6
161.02454	5.6
161.13350	1.5
163.04037	18.0
164.04832	5.9
179.03519	66.5
180.04254	11.0
189.01906	2.4
190.02873	1.4
195.10251	4.2
201.09206	5.3
205.12225	1.3
207.02957	7.0
208.03780	4.3
219.10104	1.1
223.13318	3.2
232.27617	1.0
267.12271	2.4
267.15997	1.3
271.96426	1.1
277.10867	10.4
291.08841	1.3
305.10254	3.3
323.11407	7.9
324.11603	1.1
337.12961	3.1
339.10831	1.7
367.10309	6.0
399.12949	100.0
400.13223	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	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03442	2.0
59.01386	100.0
60.01728	1.5
69.03438	1.2
71.01390	24.6
71.54424	1.1
72.01749	1.0
72.99300	1.5
73.02955	8.2
83.01402	4.7
85.02958	13.7
87.00880	3.1
89.02451	9.1
95.01393	2.5
97.02999	0.8
99.00896	3.4
101.02455	21.0
107.05021	3.5
111.00901	0.9
113.02469	11.8
119.03506	3.3
121.02959	5.7
125.02487	1.0
132.02164	1.8
133.02972	0.9
134.03758	1.0
135.04544	8.2
139.07678	4.7
157.06601	1.6
159.02997	1.6
159.04391	0.8
160.01674	9.5
161.04562	17.5
161.05894	1.3
171.10236	0.9
175.02589	1.4
175.04028	11.3
175.07660	11.7
177.74229	0.8
193.05051	2.5
193.08705	2.0
195.10219	1.7
201.05637	4.1
208.44682	0.8
219.06747	5.3
237.07686	1.0
251.11380	46.7
252.11713	2.6
372.87076	0.8
399.12909	54.6
400.13358	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	399.1298
Annotation	Dracunculifoside E
Peak:m/z	Relative Intensity
50.65315	0.5
55.69759	0.8
56.55939	0.5
57.03448	0.7
59.01385	37.4
71.01379	3.1
71.04997	0.9
71.30962	1.2
72.99316	49.3
73.02955	0.8
75.00882	3.2
79.05544	0.8
81.03481	1.1
83.05038	1.2
85.02953	1.5
87.00885	1.0
89.02440	1.1
91.05497	0.6
93.03454	3.8
95.01366	0.9
97.06594	20.1
98.06916	0.8
99.00885	2.4
101.02465	0.7
103.00386	2.6
105.03519	0.7
106.06629	1.7
107.05038	8.3
108.02187	11.4
109.02976	3.4
110.47979	0.6
111.04510	2.9
112.05281	1.0
113.02449	1.7
114.03801	0.7
117.03464	1.4
119.05060	1.1
121.02969	52.7
122.03782	16.3
123.04570	6.1
133.02956	1.3
135.02995	0.8
135.04530	7.8
137.02451	1.4
137.09721	1.2
139.07687	1.3
145.02951	3.0
146.03612	1.0
147.00926	4.4
147.04512	2.8
148.29243	0.6
149.02432	3.0
150.03223	1.2
150.05589	1.5
151.04033	4.0
154.99899	1.0
161.02477	4.9
163.04031	11.4
164.04781	5.1
179.03511	63.2
180.04260	17.9
181.04729	1.6
189.01978	2.3
194.05891	1.1
195.06627	6.0
195.10260	0.8
201.09201	0.9
207.03008	6.9
207.13879	1.2
208.03770	3.3
219.10265	2.5
249.06029	0.8
267.12390	1.2
267.15186	0.9
277.10800	13.3
278.11145	1.3
305.10474	5.4
323.11368	7.8
324.11536	1.2
337.12976	5.1
338.13477	0.7
355.13599	0.8
367.10202	4.0
399.12946	100.0
400.13278	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1087
Annotation	trans-Hydroxypiscerythrone
Peak:m/z	Relative Intensity
56.94424	1.8
59.01384	31.1
65.00336	3.6
67.01908	3.9
68.99831	9.1
71.01398	10.3
71.55283	3.3
73.02980	2.8
79.05550	5.4
82.08377	1.9
83.01395	4.2
83.05051	3.0
85.02979	4.0
89.02451	3.3
93.03458	17.6
95.01392	35.3
96.99326	12.3
97.02969	2.9
101.02468	9.4
107.05032	22.3
109.02961	3.5
111.00888	3.9
113.02471	2.6
118.89970	2.8
121.02972	25.6
123.04530	7.2
124.23804	2.9
127.03996	12.2
129.01956	11.6
129.07141	6.5
131.08687	3.7
131.36873	2.0
137.02466	19.5
138.03278	19.5
151.04024	2.9
153.05583	28.6
157.06607	17.9
159.04572	5.6
161.04591	6.4
163.00380	2.2
165.01947	8.9
167.04901	3.2
167.06219	2.2
175.07646	100.0
176.07971	7.9
179.03494	4.3
181.06628	2.2
183.08197	3.0
193.07191	5.1
197.04590	16.2
199.07658	55.3
200.07980	4.3
201.05559	14.1
217.08702	27.0
219.06673	3.4
223.02730	2.1
223.07587	2.8
225.09245	14.5
227.07152	58.5
227.10605	2.5
228.07518	6.3
229.08742	4.2
237.09210	2.4
241.08693	3.8
243.06651	15.5
245.08131	12.8
247.20959	2.3
251.07176	3.7
251.11017	3.7
253.04973	3.3
253.08748	6.6
267.10284	4.4
269.08212	37.4
270.08737	5.3
271.06177	2.4
276.59464	2.1
279.06934	2.3
279.10257	6.1
281.08258	4.4
287.12936	13.1
287.51639	2.2
294.98807	2.4
295.09805	19.9
296.10364	4.4
297.07742	17.5
298.08115	4.1
313.10849	5.0
323.05707	4.3
323.09256	51.3
324.09647	4.6
327.12372	14.5
339.08743	24.1
339.12906	6.7
339.49182	2.5
355.11853	48.2
355.15979	3.1
356.12479	3.7
367.08276	34.7
368.08530	5.6
371.11234	9.1
381.13458	3.9
388.70676	2.2
399.10239	24.7
399.14658	9.3
399.23038	2.9
417.71585	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	399.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
70.36958	0.7
71.01392	1.0
78.82896	0.7
81.43970	0.7
82.72317	0.7
93.03473	0.9
95.01405	3.6
95.05016	4.0
96.96060	0.8
100.68163	0.6
103.26814	0.7
105.03473	1.2
107.01378	1.0
108.02174	1.9
109.02934	1.6
115.30135	0.6
119.05060	0.8
119.08665	2.4
121.02975	5.4
121.59165	0.6
122.03765	4.3
123.00900	75.2
124.01223	1.8
129.07199	0.7
130.04277	2.1
133.02997	2.8
137.02536	0.9
138.03244	100.0
139.03577	4.7
145.06589	0.9
148.01663	3.6
149.99551	0.8
151.00374	6.6
153.05594	65.3
154.05922	3.6
157.06633	2.3
158.03738	5.1
161.02496	0.7
163.07677	24.4
164.07991	2.3
165.01996	2.0
166.02757	2.2
172.04005	0.7
172.05304	4.2
173.06088	50.8
174.06436	3.5
177.99088	0.9
184.53925	0.7
187.03992	0.7
191.07155	43.5
192.07512	3.3
193.01462	2.1
201.05740	0.8
217.05074	3.0
219.06874	0.8
229.35260	0.9
245.04550	1.7
255.02988	1.3
275.16885	0.7
291.05579	1.9
317.03397	6.0
339.12631	0.7
363.12497	2.4
371.11359	0.8
381.09671	0.7
384.08560	1.8
399.10751	16.7
400.11197	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	397.3325
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
54.28870	0.8
57.03439	0.9
70.77229	1.7
70.77568	0.8
83.51910	1.0
96.66822	0.8
96.96008	2.6
112.81207	0.9
305.91925	0.9
333.31909	1.2
335.33212	53.4
336.33524	8.5
353.34113	1.8
379.32190	14.9
380.32336	1.3
397.22601	3.3
397.33249	100.0
398.33624	16.2
402.36292	0.8
418.06079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77242	2.0
56.67389	2.0
59.01384	100.0
59.37643	1.8
69.82858	10.5
74.47519	2.2
85.40949	1.9
96.95989	1.9
115.37521	1.9
134.03694	2.3
145.37041	2.0
198.70798	1.9
239.32079	1.8
305.29852	2.1
399.21796	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60592	1.2
55.01884	3.8
57.03459	17.8
59.01382	13.3
61.98838	6.2
63.84550	1.4
65.57427	1.3
67.01867	1.9
68.99849	1.3
69.03470	3.5
69.21966	1.2
69.54605	5.5
69.55017	2.9
70.30655	1.2
71.01385	10.0
71.40148	1.2
72.99320	13.1
73.02961	3.9
73.48445	1.2
75.00877	4.2
77.48681	1.4
81.03465	10.3
83.01398	9.6
84.02171	2.4
85.02959	100.0
86.03298	3.0
87.00887	6.7
89.02467	1.7
97.02937	2.1
99.00885	8.0
99.04527	2.0
101.02442	9.3
101.45207	1.2
111.00897	24.7
113.02464	4.0
117.01949	1.6
117.03480	2.0
119.05029	1.6
123.04529	3.9
125.02465	28.2
126.02760	1.5
129.01959	35.5
131.03551	1.7
134.03758	14.0
135.04539	3.7
136.04077	2.4
137.02452	1.9
142.57903	1.4
143.03500	5.2
149.06099	1.3
150.06839	2.3
151.04018	2.3
161.04590	4.4
161.60146	1.3
162.03253	5.3
163.04027	2.1
163.07632	2.6
165.01973	3.1
165.05600	1.6
173.06097	5.0
175.04024	1.9
177.01936	6.1
177.05603	5.5
179.05737	1.5
179.07179	1.7
180.04344	2.1
183.06598	2.4
187.02556	1.7
191.10732	1.4
193.05045	8.4
195.06685	5.1
205.03526	44.6
206.03903	2.2
217.08707	3.2
219.06656	4.0
219.10338	2.0
221.08295	1.5
223.04619	21.2
224.04974	1.7
233.08104	1.6
237.07762	1.8
238.77388	1.3
261.11404	2.4
263.71747	1.3
267.08749	2.6
278.58453	1.3
367.10184	4.4
399.13184	19.2
400.13370	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	397.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60022	3.2
58.46495	3.1
59.01388	39.9
61.98826	3.8
69.03470	5.0
71.01373	4.3
71.55180	3.7
73.02975	3.5
74.83430	3.7
83.05022	12.2
95.05051	3.9
96.96037	4.2
97.06606	8.8
97.07253	3.1
101.06084	5.4
107.05027	7.1
108.02213	4.9
110.00104	11.8
111.04518	23.8
113.06133	3.9
115.07603	3.9
122.03751	5.2
123.00861	4.2
125.02420	5.1
135.04523	21.3
136.01706	4.2
137.02327	4.2
137.99609	7.4
140.04811	12.0
141.09271	20.0
146.03709	3.9
153.01950	72.1
153.12863	60.0
161.02399	8.0
169.12387	6.6
174.03244	13.7
179.10809	30.4
181.12407	8.6
189.05528	13.3
191.07295	5.0
197.11859	19.9
199.13414	100.0
200.13698	7.6
201.01985	6.2
206.02280	9.6
213.09270	5.6
215.12852	9.9
219.06560	5.6
225.09245	14.5
226.09933	20.2
229.08687	48.8
229.14450	15.1
230.09105	6.0
237.09294	4.1
241.08769	4.9
241.12486	18.7
243.06572	3.9
249.18202	4.5
255.10309	5.2
255.16063	73.1
256.16364	7.2
263.16269	4.2
267.19672	80.7
268.19989	5.4
275.16571	6.1
277.18103	6.0
281.17596	5.3
293.17728	17.1
311.18680	45.8
353.13846	6.5
361.24039	5.4
367.08334	11.0
369.21179	3.6
379.19577	7.5
379.24921	30.7
380.25211	7.6
382.10614	4.7
397.12402	82.0
397.16672	31.2
397.20627	15.1
397.25952	26.4
398.13043	12.5
398.17297	4.6
398.25925	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	397.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	7.2
58.28989	7.0
59.01381	50.2
61.22598	6.1
69.88977	6.9
71.01380	39.0
71.44770	7.1
71.55180	11.4
71.55577	8.0
73.02972	15.1
73.46362	6.5
85.02958	18.2
89.02468	13.2
96.96034	10.5
99.00917	7.9
101.02446	19.7
113.02469	16.2
113.11632	6.4
122.03743	9.2
125.02422	8.6
126.25841	6.6
128.22835	6.8
135.04510	7.9
137.83316	6.3
175.07646	15.6
191.07104	8.1
192.70123	6.9
225.09286	7.8
249.14890	32.4
267.06427	9.0
285.86697	7.4
295.09818	18.2
309.11203	15.6
310.12009	15.1
325.14557	43.5
326.14688	8.2
353.13937	100.0
354.14508	11.4
365.10083	8.4
397.13284	49.0
397.22122	10.9
397.26605	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	397.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55214	1.5
59.01382	100.0
60.01707	1.6
71.01366	3.9
71.54621	2.8
72.99937	1.5
77.71591	1.5
78.32581	1.5
81.76746	1.4
84.67113	1.6
84.94480	1.6
89.02463	3.0
91.06250	1.6
93.94299	1.6
101.02489	2.6
113.02454	3.0
113.70212	1.4
117.96079	1.7
119.03516	1.9
119.04966	1.9
121.02965	2.0
147.04538	2.5
160.85890	1.9
189.09241	11.5
201.09195	3.4
219.06656	3.9
224.33226	1.8
225.09215	4.8
259.11255	1.7
261.12744	2.3
277.12341	12.0
278.13074	6.9
291.13931	29.9
292.14197	3.9
293.15482	89.6
294.15875	12.2
307.13391	16.4
308.13724	3.9
337.14459	62.0
337.18564	3.0
338.14780	9.2
397.16312	6.2
397.20459	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	397.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	5.4
57.03458	3.9
58.00600	1.7
59.01385	53.0
60.01726	1.2
61.98846	1.0
69.03462	2.3
70.95039	1.0
70.95376	1.0
71.01390	73.5
72.01725	1.7
72.98895	0.7
72.99315	3.8
73.02955	29.0
75.00884	2.8
81.03455	1.4
81.81616	1.1
83.01392	11.5
85.02961	29.7
85.94264	0.8
87.00885	3.8
87.87872	0.8
89.02452	35.5
90.02794	1.0
93.03455	1.0
94.60349	0.7
95.01401	3.7
96.96006	1.3
97.02985	5.2
99.00278	1.2
99.00898	17.1
101.02454	62.7
102.02791	1.3
110.01867	0.9
111.00898	2.0
113.02460	27.7
114.02838	1.4
115.04025	3.1
119.02770	0.8
119.03509	4.2
125.02473	6.8
126.26759	0.8
129.02010	1.0
131.03494	5.3
137.02444	1.0
143.03569	4.4
149.04585	10.4
159.03004	6.4
161.04568	35.6
179.05592	1.2
191.05595	3.3
191.07147	1.2
233.06738	5.6
265.12939	86.1
266.13333	7.1
293.08725	2.3
382.49481	1.0
397.17157	100.0
398.13028	0.9
398.17590	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	397.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
56.80563	0.6
57.03456	1.4
58.00617	1.7
59.01386	100.0
60.01727	1.4
67.01904	0.8
68.99847	0.6
69.03460	2.2
70.82941	1.4
70.83273	0.7
71.01389	40.2
72.99319	3.1
73.02953	7.6
75.00887	1.0
81.03454	1.3
83.01405	4.8
85.02962	9.3
87.00886	7.6
89.02454	30.3
91.04044	0.8
95.01399	3.5
97.02963	7.5
99.00901	2.6
101.02457	30.8
103.04041	0.9
109.02960	1.0
111.04523	1.7
113.02464	11.9
119.03506	9.3
125.02480	8.0
133.05103	2.0
139.04027	1.2
143.03503	4.1
149.04588	0.8
161.04572	6.1
169.05016	1.4
179.05565	2.1
189.44667	0.7
203.05748	0.8
215.12878	6.6
216.13246	0.9
217.07106	0.8
221.06618	1.8
235.08249	10.0
245.06877	0.8
253.09341	0.9
263.07874	1.0
305.08838	1.0
379.12363	0.8
397.13409	31.1
397.25317	0.8
398.13684	2.7
410.31674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43600	1.2
57.03455	2.9
59.01381	18.3
71.01389	20.6
71.55216	1.2
73.02948	4.4
83.01406	4.9
85.02957	15.2
87.00879	1.5
87.04547	1.3
89.02437	5.5
95.01383	4.2
97.02951	1.6
99.00879	2.4
99.89320	1.1
101.02449	5.4
113.02457	18.1
119.03534	1.7
123.04573	1.5
124.05322	15.9
135.04532	21.0
163.04028	100.0
164.04387	5.5
166.65967	1.2
170.47002	1.2
175.07668	2.0
178.06374	72.5
179.06689	5.0
185.13338	1.1
193.08711	88.3
194.09038	6.3
200.59219	1.3
203.14389	5.3
217.15845	1.8
221.15483	3.7
235.17064	3.1
253.18047	4.5
265.14505	4.8
382.20062	1.4
397.22391	25.1
398.22717	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	397.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51220	0.8
69.46022	1.5
69.46430	3.1
75.00879	22.8
98.20655	0.9
149.06104	1.3
153.34100	0.7
197.52211	0.7
225.09221	37.8
226.09532	3.3
237.09221	10.3
238.09554	1.2
271.72266	0.7
272.10602	0.9
281.08060	0.9
295.13666	1.4
295.17050	43.7
296.17377	6.1
339.16016	100.0
340.16324	14.0
353.23077	1.4
377.20331	0.8
379.20917	2.7
397.21884	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.7
57.03455	3.0
58.00593	5.9
59.01384	100.0
61.98811	2.5
69.03471	5.2
70.09779	5.3
71.01389	84.5
72.99316	7.1
73.02953	19.2
81.03491	5.3
83.01405	10.3
85.02965	21.2
87.00885	19.7
87.01360	3.4
89.02446	61.5
91.90812	3.0
95.01424	6.8
97.02955	18.2
99.00912	5.3
101.02452	76.3
105.07052	2.9
107.05006	3.4
109.03001	3.4
111.04549	2.9
113.02464	35.2
119.03508	21.7
125.02486	20.0
131.03535	3.0
132.69550	2.3
133.05083	4.4
135.04529	8.0
139.04010	2.9
142.78255	2.8
143.03511	11.7
149.06061	2.5
161.02464	2.8
161.04588	12.9
161.61610	3.3
164.01488	2.7
169.05092	4.0
174.80144	2.5
175.07822	4.1
179.05627	4.2
217.07225	4.8
221.06622	3.7
225.09219	43.7
226.07323	2.5
226.09697	7.1
235.08272	18.7
239.10730	11.6
277.09253	2.8
287.07672	3.2
309.18619	22.0
310.18799	3.3
317.20755	3.1
397.13483	56.4
397.17200	22.0
398.17209	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	397.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.4
59.01388	12.5
61.98823	2.1
68.99820	1.7
69.03455	1.3
70.87555	1.9
71.01383	13.7
72.04332	1.0
72.99303	3.3
73.02945	4.1
75.00887	7.8
81.03457	1.6
83.01385	1.2
85.02956	32.9
87.00880	4.1
89.02445	5.6
91.04036	1.3
93.03468	0.9
95.01396	2.7
99.00883	6.2
101.02456	16.2
101.06098	2.0
103.00362	1.5
103.04018	13.4
104.04414	1.0
109.02959	1.4
111.00896	1.6
113.02462	13.1
115.00357	0.8
117.01960	2.2
125.02463	1.6
133.05061	2.3
137.02441	6.3
145.47812	0.8
147.06648	100.0
148.06952	4.2
175.02441	1.9
199.27377	0.8
249.06166	84.2
250.06439	4.3
267.07166	3.3
300.77713	1.1
353.10861	1.6
397.08356	1.7
397.13483	33.7
398.13858	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	397.1295
Annotation	Dulxanthone E
Peak:m/z	Relative Intensity
59.01394	1.0
71.01373	0.8
72.77647	0.4
79.05586	0.4
95.01434	0.8
97.95570	0.5
107.05021	1.1
111.00888	0.6
119.04984	0.5
122.03716	1.1
123.00901	1.5
124.01654	1.9
125.02489	0.8
133.02943	1.5
135.04497	0.9
136.01624	1.3
137.02457	1.8
143.04979	1.2
144.05826	1.3
148.01669	3.6
149.02473	2.3
150.03224	1.4
151.00427	2.3
152.01245	0.8
157.06618	4.0
159.04555	1.1
159.08171	6.0
160.08487	0.5
161.02457	4.5
162.03165	1.3
163.00436	0.6
163.03989	1.9
165.01880	0.7
173.06194	0.5
175.07637	3.5
176.01173	13.4
177.01942	14.3
177.09256	0.6
178.02704	12.3
178.99847	0.6
179.03333	1.4
185.06061	0.9
187.04001	1.6
188.04517	0.5
189.01958	1.7
191.07153	1.8
193.01398	0.8
201.05658	2.9
202.06401	0.8
203.07152	31.0
204.07483	2.3
205.01404	0.6
205.08623	2.4
221.08240	6.1
229.08760	0.7
229.62108	0.5
231.06505	0.6
293.04523	0.6
334.08362	0.9
336.09814	0.7
337.10422	0.5
339.08691	0.5
349.10825	1.0
365.10223	1.4
367.11819	0.9
367.96698	0.6
382.10626	9.1
383.10645	1.0
397.12946	100.0
398.13312	15.9
408.92627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63425	0.6
59.01366	0.9
65.03963	0.5
70.00525	0.5
70.59399	1.5
71.01394	0.4
79.05528	1.4
83.01379	0.7
88.07678	0.5
103.22969	0.5
104.62177	0.5
105.07117	2.9
107.05047	3.7
109.02949	0.8
121.02995	0.8
122.03759	4.4
123.04475	0.8
135.04559	1.4
136.05275	0.6
144.11874	0.5
149.06123	0.6
157.06587	0.7
159.04559	1.2
160.05350	0.7
161.06091	1.1
166.09328	0.5
173.06009	1.2
175.07680	4.3
185.06117	0.7
186.06895	1.0
187.04004	0.6
187.07652	2.6
188.04770	1.7
193.19342	0.6
197.06085	0.6
201.05602	0.8
201.09277	1.1
202.06326	2.1
203.07143	1.5
207.08293	0.5
211.07695	1.0
217.08679	1.5
221.04428	0.7
225.05560	0.8
225.09119	0.9
227.07164	2.1
230.05872	2.7
239.07141	4.5
239.10858	1.3
240.04268	1.4
245.08214	1.9
249.05603	0.6
251.10718	2.9
253.04727	0.8
253.08734	1.4
255.06627	2.3
262.06393	0.8
263.07156	0.6
263.10864	0.6
265.04980	0.7
265.12201	2.6
266.13083	0.7
267.06683	4.7
267.09885	2.8
268.10800	0.7
269.08105	0.8
277.08685	6.3
278.09259	1.3
280.07443	1.0
281.11832	1.7
291.10291	1.7
291.89493	0.6
292.11072	9.0
293.08136	1.6
293.11676	2.1
294.09055	1.2
294.12692	1.6
295.09790	23.3
296.10226	2.8
305.08133	0.9
307.13351	6.2
308.10483	1.7
308.13754	1.1
309.08063	0.6
309.11365	12.8
310.12100	18.6
311.12442	1.9
319.09985	0.8
320.10571	1.6
323.12802	2.5
324.09918	1.0
325.14465	64.1
326.14835	8.2
335.12958	3.0
338.11615	3.0
353.13971	100.0
354.14301	16.0
397.08344	0.6
397.12958	5.7
397.20642	0.6
398.13135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17590	0.8
57.69651	0.6
59.01380	1.3
59.52144	0.6
69.95306	3.2
79.47958	0.6
96.96016	2.5
149.06073	3.0
161.02483	0.7
225.09213	45.8
226.09552	3.9
237.09192	11.2
238.09563	1.1
239.10791	0.8
295.17044	45.7
296.17416	6.2
339.16010	100.0
340.16330	13.5
384.28152	0.7
397.11426	3.4
397.22882	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	397.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85135	0.5
59.01381	2.5
59.97521	0.5
60.24567	0.5
70.86161	1.2
85.20409	0.5
88.12070	0.4
89.26086	0.5
94.71052	0.5
95.01395	0.7
101.02410	0.8
107.05055	0.9
109.02950	1.2
111.00841	0.5
121.02938	0.8
122.03703	0.9
123.00903	1.5
124.01670	1.5
131.08578	0.5
131.24712	0.5
133.02972	1.4
135.00829	0.5
135.04538	5.6
137.02425	1.5
139.31691	0.5
143.04991	0.9
144.05843	0.6
148.01685	2.2
149.02443	2.0
149.07697	0.6
150.03308	0.9
151.00388	1.6
157.06602	3.3
159.04532	1.1
159.08151	4.2
161.02452	6.0
162.03259	7.1
163.03940	1.2
164.01160	3.1
165.01945	0.6
173.06105	0.8
175.03993	0.6
175.07684	4.1
176.01183	7.3
177.01938	9.8
177.05479	0.5
177.09184	1.0
178.02705	6.9
179.03377	1.4
187.04060	0.9
187.07556	0.6
189.01892	1.0
190.02620	0.6
191.07181	1.3
197.06073	0.7
201.05603	3.2
202.06403	1.2
203.07156	22.5
204.07658	1.4
205.01324	0.9
205.08694	1.6
211.04070	0.6
217.08688	1.2
219.06644	0.6
221.08217	4.5
237.05643	0.7
240.07820	0.5
249.05434	1.0
253.04970	0.7
261.07825	0.6
263.28729	0.6
265.05008	1.6
277.05408	0.5
277.08685	0.5
279.10278	0.8
281.04568	0.8
291.02917	0.6
291.10318	0.6
293.04599	2.0
293.07990	0.5
295.02768	0.9
295.06073	1.1
295.09482	0.8
306.09131	0.6
308.10489	1.1
312.02948	0.6
313.07181	0.7
315.08801	1.6
317.09189	0.9
319.09747	0.9
321.04044	1.6
321.07391	0.6
335.09189	1.5
336.10031	3.0
337.10437	0.9
338.11548	1.2
347.09125	1.2
348.09863	1.4
351.12305	4.7
353.14041	0.6
361.10660	1.3
363.08716	2.4
364.09579	5.3
365.10184	1.9
379.11914	14.3
380.12241	2.3
382.10596	6.3
383.10660	0.6
397.12936	100.0
398.13275	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	397.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93258	0.8
55.01867	2.0
57.03459	6.7
59.01385	33.0
60.25759	0.8
61.98832	1.3
67.01902	1.3
68.99807	2.6
69.03458	3.6
71.01017	1.7
71.01389	26.3
72.99323	7.9
73.02949	6.3
75.00885	24.0
76.68181	0.8
79.05518	1.9
80.96526	1.5
81.03468	1.8
83.01379	3.0
83.05022	2.0
84.02135	1.0
85.02958	27.2
87.00886	12.0
88.04028	2.1
89.02457	8.7
93.03472	2.0
95.01408	7.5
95.04990	1.1
96.95975	1.0
97.02946	1.4
98.19876	2.5
99.00891	14.2
99.04559	0.9
101.02431	3.0
103.00373	2.6
103.05527	4.2
106.06629	1.7
109.02965	2.0
111.00889	1.8
111.04532	1.8
113.02467	30.6
115.00368	3.3
117.01943	4.2
119.05003	2.3
121.03001	1.0
123.04521	2.8
123.08136	1.6
129.01955	2.3
130.99788	1.4
132.03079	2.2
133.05045	1.2
135.04712	1.0
137.02501	2.4
145.10252	1.4
147.04536	100.0
148.04846	6.3
149.04570	2.6
150.05629	1.2
153.09184	1.6
157.01376	1.5
161.04648	1.0
163.07640	1.7
163.11243	1.0
167.06137	1.5
175.02458	2.9
175.07648	1.4
179.03526	2.3
185.13333	1.3
193.05109	1.4
203.10663	1.1
203.14420	2.8
221.15523	5.5
231.05135	6.8
249.06169	70.5
250.06506	3.7
264.11234	1.3
265.11078	1.2
265.14410	5.9
322.87338	1.1
355.13547	0.9
379.10507	2.1
397.11340	65.7
398.11713	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	397.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24659	0.4
57.71141	0.3
59.01381	5.9
61.98829	1.1
69.40032	0.7
69.40443	2.7
71.01387	0.9
73.13271	0.4
83.96086	0.3
87.00889	1.3
93.03510	0.6
101.02481	0.6
111.00912	0.6
121.02967	1.6
132.02161	0.5
133.02957	2.0
134.03755	61.0
135.04082	3.2
137.02458	9.3
138.97974	0.4
139.04044	2.9
149.06097	17.4
150.03270	1.0
150.06493	0.7
153.78471	0.4
159.04520	0.5
159.21437	0.5
160.01695	1.2
165.02036	0.4
175.04016	1.5
177.05438	0.4
178.02722	35.5
179.03134	1.6
179.60164	0.4
191.03476	0.7
193.05066	100.0
194.05400	7.3
203.03612	0.6
210.19917	0.4
305.63934	0.4
377.10025	0.7
397.11356	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96034	0.7
54.40745	0.8
55.01876	0.9
56.41819	0.6
57.03453	6.7
58.00612	0.8
59.01388	26.1
62.78746	0.7
67.01863	0.7
68.99821	2.6
69.03450	1.7
70.65211	0.7
71.01387	23.7
71.01781	1.2
71.16042	0.8
71.49268	0.7
71.55371	1.0
72.99322	6.6
73.02956	4.0
75.00881	23.1
79.05533	0.7
81.03474	1.6
83.01394	2.2
83.05050	2.1
85.02956	25.3
86.03325	0.9
87.00881	9.4
89.02456	8.1
91.04014	1.0
92.38456	0.7
93.03509	0.9
95.01409	7.1
95.05024	0.7
97.02957	1.8
99.00882	14.2
101.02476	2.7
101.23195	0.7
103.00381	2.9
103.05550	2.9
109.02976	1.6
111.00898	2.0
111.04470	0.7
113.02463	32.3
114.02771	1.1
115.00369	2.8
117.01942	4.2
119.05058	1.7
123.04566	3.6
129.01974	2.5
131.03558	1.5
147.04538	100.0
148.04843	5.8
149.04578	2.8
153.09271	1.2
154.99783	1.1
157.01456	1.9
161.04578	1.1
163.07686	1.2
175.02530	4.0
189.04076	1.3
193.05092	0.9
203.14481	3.3
207.10271	1.7
214.81937	0.7
221.15437	8.1
222.15814	0.8
225.06601	0.8
231.05118	9.0
240.16299	0.7
249.06169	65.5
250.06441	4.4
265.10809	0.7
265.14441	4.9
281.83685	0.8
337.09088	1.2
379.10275	3.0
397.11404	61.6
397.22278	3.3
398.11609	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	396.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	5.7
59.01387	26.0
60.06250	3.5
69.85452	11.3
71.01389	33.6
72.99316	5.6
73.02965	3.3
75.00903	3.8
82.82301	3.0
83.01399	5.1
83.05048	4.5
85.02960	15.8
85.56220	4.2
87.00883	8.0
89.02467	4.6
99.00905	17.7
101.02464	9.1
103.03979	3.8
111.00896	12.5
112.98828	44.7
113.02422	6.1
115.00363	5.2
117.58878	4.4
126.09274	18.6
129.01935	7.0
131.03467	4.0
133.05077	27.9
142.99895	19.4
147.06648	20.2
149.04553	3.2
157.03140	4.0
163.07629	5.3
173.00975	11.2
173.06165	4.3
190.06461	3.4
204.12425	100.0
205.12831	5.8
219.06665	8.2
220.07378	8.3
249.06071	20.7
277.10846	8.2
396.10422	54.8
397.06305	4.8
397.11371	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	396.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88140	0.8
59.01385	100.0
60.01697	1.0
61.98839	1.0
63.60118	0.9
67.47840	0.8
70.55701	1.7
71.21410	0.9
71.30907	0.9
71.46965	0.8
72.27271	0.8
74.92588	0.9
86.49443	0.8
96.96040	1.2
108.02177	2.0
109.02988	1.2
117.34071	0.9
123.04517	1.1
134.03676	1.4
135.04570	1.4
136.01675	2.0
161.02467	2.3
167.03590	1.8
173.10956	0.9
173.62820	0.8
175.07727	1.1
190.06349	1.2
191.07124	1.3
193.05023	1.3
213.09224	1.8
217.78539	1.0
225.09138	4.5
226.09850	1.4
237.09213	1.9
241.08701	2.5
241.12508	1.0
280.11215	0.9
345.30585	0.9
366.10895	1.6
379.18954	1.5
396.11099	1.2
396.14996	5.8
397.10645	2.6
397.16330	3.9
397.21030	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	396.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04062	0.9
55.88858	0.9
58.59754	1.0
59.01385	100.0
60.01698	2.0
61.98835	8.9
71.54882	1.4
84.09024	0.9
86.55116	1.0
90.29523	0.9
98.00317	1.0
98.47231	1.0
104.82858	1.0
188.54248	1.0
191.07031	1.3
215.12805	2.3
331.69183	1.1
396.15198	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	395.2229
Annotation	Kazinol F
Peak:m/z	Relative Intensity
55.99459	1.2
57.03444	1.9
58.25306	1.3
59.01378	3.3
67.12031	1.1
70.94896	2.3
71.05019	1.2
81.03468	16.2
82.23510	1.2
95.68074	1.2
107.05016	1.2
119.05033	1.8
120.48095	1.1
121.02978	2.8
131.05087	1.1
133.06612	4.4
135.04573	1.4
147.08177	30.6
148.08524	1.6
149.06146	1.3
149.09734	3.9
150.03210	1.2
161.02531	1.9
162.03108	1.1
175.07599	1.9
189.09267	2.3
191.07222	1.3
203.07170	1.5
217.15990	100.0
218.16345	9.7
259.17255	1.9
261.15002	15.3
262.15314	1.2
287.92813	1.2
313.17859	6.9
314.18311	1.4
345.24759	1.6
351.23181	1.4
377.26706	2.0
395.15158	5.8
395.22348	96.7
396.22678	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46532	10.6
59.01384	85.0
69.34237	100.0
71.01403	16.7
71.19425	10.8
73.02964	12.3
75.95583	12.6
79.04041	12.0
81.75479	10.7
84.34750	10.6
85.02955	20.1
101.02475	15.2
106.79322	11.9
136.18451	11.2
160.31410	11.9
167.18277	13.6
254.30339	12.0
255.03226	12.4
283.02722	22.9
290.57809	12.0
298.04837	37.9
313.07159	53.4
395.24957	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	395.1864
Annotation	(-)-2'beta-{(E)-3-Hydroxy-3-methylbut-1-enyl}-2'-deoxybruceol
Peak:m/z	Relative Intensity
57.03450	11.4
59.01374	3.5
61.98858	2.3
69.41937	2.2
69.42344	10.9
77.00462	1.5
79.05539	1.7
98.64846	1.5
107.05049	19.6
108.02187	26.0
109.06623	2.4
118.50984	1.6
119.05027	4.6
119.54893	1.6
122.03744	5.2
123.00935	2.9
123.04543	21.7
123.08165	6.7
135.04541	25.9
137.09738	2.9
149.02411	4.5
157.06560	6.6
158.46100	1.5
159.08174	3.8
161.02428	3.4
162.03220	3.8
167.03496	41.3
168.03799	2.6
169.10297	2.2
171.08110	2.8
173.06020	2.8
175.07640	40.5
189.01869	7.3
191.07166	6.5
199.25743	1.7
201.05670	3.1
201.09222	4.9
203.07153	6.7
204.04320	2.5
211.11218	2.0
213.09235	21.3
214.09677	2.1
217.05020	3.6
219.06635	2.2
221.08369	2.3
225.09265	9.6
225.54385	1.6
226.09908	4.8
227.10768	5.9
263.14413	5.5
265.08731	2.3
281.15622	3.5
294.05313	2.4
307.13727	2.6
307.16870	8.9
309.07852	1.7
322.08478	2.6
333.18826	2.6
335.09348	3.4
337.10822	14.7
347.09317	1.9
351.19684	12.7
352.13123	3.0
352.19968	3.0
365.10193	7.7
367.15424	5.5
377.17606	63.2
378.17892	12.0
380.08630	2.4
380.12711	6.9
395.14737	43.4
395.18723	100.0
396.15057	5.2
396.19403	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	395.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55890	1.6
57.03450	3.5
59.01374	6.0
62.98763	1.5
65.00332	3.5
69.85537	8.9
71.01398	12.4
73.02932	4.0
83.05016	3.5
85.02964	4.2
95.05011	3.8
97.02972	12.7
97.06573	2.5
105.07099	5.7
107.05047	3.1
107.22581	1.6
108.05820	11.0
109.02956	7.3
109.06589	4.1
111.04531	13.0
113.06087	12.0
118.69598	1.6
119.08701	2.0
121.06577	3.5
122.03756	13.9
123.08179	12.4
124.01656	2.3
124.05312	1.8
125.06097	17.8
131.03435	2.0
135.04562	2.1
135.08156	2.5
136.05316	13.4
137.06099	10.5
138.06883	18.7
139.07666	48.4
148.05307	5.8
149.06113	4.2
149.99620	10.3
151.03990	2.2
151.07663	100.0
152.04817	12.3
152.08452	40.6
153.09224	20.7
158.58963	1.6
159.11833	3.1
161.09705	7.2
163.07637	7.9
165.01859	2.6
167.07126	4.8
170.05864	2.3
185.09747	2.8
189.09158	3.3
191.07149	1.9
201.12857	27.7
202.13275	2.9
203.10797	14.6
204.11551	46.2
205.11798	3.2
219.13911	86.8
220.14174	6.7
255.03041	5.1
257.03561	2.3
263.12897	81.1
264.13190	6.8
270.05215	3.0
273.73846	1.9
283.02676	3.2
285.03659	2.6
298.04849	11.1
299.05225	2.7
300.06226	18.1
301.06229	1.9
303.60339	1.7
308.38400	1.7
313.07190	17.3
314.07620	3.3
315.08719	40.5
316.08987	4.4
393.18509	1.8
395.04074	5.4
395.17035	24.6
395.21384	1.3
396.17075	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	395.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55890	1.6
57.03450	3.5
59.01374	6.0
62.98763	1.5
65.00332	3.5
69.85537	8.9
71.01398	12.4
73.02932	4.0
83.05016	3.5
85.02964	4.2
95.05011	3.8
97.02972	12.7
97.06573	2.5
105.07099	5.7
107.05047	3.1
107.22581	1.6
108.05820	11.0
109.02956	7.3
109.06589	4.1
111.04531	13.0
113.06087	12.0
118.69598	1.6
119.08701	2.0
121.06577	3.5
122.03756	13.9
123.08179	12.4
124.01656	2.3
124.05312	1.8
125.06097	17.8
131.03435	2.0
135.04562	2.1
135.08156	2.5
136.05316	13.4
137.06099	10.5
138.06883	18.7
139.07666	48.4
148.05307	5.8
149.06113	4.2
149.99620	10.3
151.03990	2.2
151.07663	100.0
152.04817	12.3
152.08452	40.6
153.09224	20.7
158.58963	1.6
159.11833	3.1
161.09705	7.2
163.07637	7.9
165.01859	2.6
167.07126	4.8
170.05864	2.3
185.09747	2.8
189.09158	3.3
191.07149	1.9
201.12857	27.7
202.13275	2.9
203.10797	14.6
204.11551	46.2
205.11798	3.2
219.13911	86.8
220.14174	6.7
255.03041	5.1
257.03561	2.3
263.12897	81.1
264.13190	6.8
270.05215	3.0
273.73846	1.9
283.02676	3.2
285.03659	2.6
298.04849	11.1
299.05225	2.7
300.06226	18.1
301.06229	1.9
303.60339	1.7
308.38400	1.7
313.07190	17.3
314.07620	3.3
315.08719	40.5
316.08987	4.4
393.18509	1.8
395.04074	5.4
395.17035	24.6
395.21384	1.3
396.17075	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	395.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.4
57.03454	75.4
59.01384	100.0
60.01706	1.1
69.03466	1.8
69.65479	4.5
69.65907	3.1
71.01388	33.4
72.99307	2.2
73.02951	21.6
75.00888	2.1
81.03490	2.1
83.01387	7.5
84.48194	1.1
85.02960	12.6
87.00880	4.1
87.04529	3.8
89.02452	13.8
93.68970	1.0
95.01405	3.8
99.00885	5.2
99.04530	55.6
99.08167	2.9
101.02448	44.8
101.06115	1.5
102.02800	1.4
103.04011	2.0
106.80277	1.4
113.02457	17.2
117.05574	11.1
119.03492	4.0
120.75311	1.2
122.99202	1.1
125.02461	27.2
129.01932	1.7
131.07152	2.1
143.03516	4.0
145.08688	4.9
149.04533	1.7
159.03043	1.8
159.06618	1.5
161.04584	15.5
179.05661	1.6
215.12920	2.1
233.10225	2.6
239.09155	2.8
249.06180	2.9
251.11372	41.1
252.11710	3.1
263.11288	2.7
275.18094	1.3
293.12369	7.0
335.10132	2.2
335.17264	1.9
395.15311	26.0
396.16003	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	395.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40745	0.6
54.18029	0.5
57.03442	1.1
58.53583	0.6
59.01384	5.2
61.98829	0.9
66.67162	0.7
69.28211	5.4
71.01379	1.6
72.99282	0.6
73.02971	0.9
79.95763	0.5
85.02944	0.8
93.03461	1.0
96.96021	1.2
97.02931	0.8
107.05025	0.9
119.04990	1.9
121.02965	1.7
125.02441	0.9
130.04404	0.6
133.02953	1.7
135.86575	0.5
136.01689	1.0
143.05020	0.9
144.05849	1.6
149.02402	1.3
157.06621	4.7
159.04510	2.6
159.08167	13.8
160.08479	0.7
161.02441	7.1
162.02802	3.4
163.00455	0.8
163.03902	1.0
163.07678	0.7
172.05095	0.6
173.06091	0.8
175.04008	1.1
175.07684	2.2
176.04698	0.6
177.01900	1.6
177.05357	0.8
185.06111	1.1
187.04030	1.1
189.01790	0.7
200.08203	0.6
201.05573	2.2
202.06255	1.2
203.07146	39.2
204.07518	2.0
217.04991	0.9
221.08185	17.6
222.08546	1.4
229.08618	3.4
239.03551	0.8
263.16531	0.8
268.03842	2.2
292.90210	0.6
296.03284	6.9
298.04068	0.7
301.29733	0.6
311.05679	8.5
313.06699	1.7
321.11353	1.8
337.10941	1.7
338.07654	1.0
347.09131	0.9
351.12421	1.1
365.10333	11.8
366.10791	2.2
379.12024	1.4
380.08521	3.0
380.12689	4.6
395.11136	4.7
395.15036	100.0
396.15405	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	395.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
65.00334	0.3
69.03461	0.3
71.55224	0.3
85.02969	0.3
91.01895	0.5
95.01408	0.4
97.80574	0.2
100.32157	0.2
107.05025	0.7
108.02193	0.3
110.00128	0.4
110.89306	0.3
121.02950	0.9
123.00901	0.4
127.63650	0.3
130.72902	0.2
133.02962	0.7
136.01640	0.7
137.99609	0.4
143.05043	1.0
144.05824	1.6
148.01683	0.3
149.02434	0.5
157.06598	6.3
159.04556	1.7
159.08170	16.4
160.05032	0.3
160.08508	0.9
161.02464	1.9
162.03192	1.0
163.03984	0.6
163.07724	0.3
168.44102	0.3
173.06076	0.5
174.03226	1.0
174.04561	0.3
175.04045	0.5
175.07639	1.9
176.01230	0.3
176.04787	0.3
177.01953	0.8
177.05618	0.3
185.06062	0.7
187.04028	1.2
188.04698	0.4
189.01877	0.4
191.07216	0.3
193.05061	1.1
201.05562	2.0
202.06363	1.3
203.07152	51.9
204.07487	4.3
206.02249	1.1
221.08206	17.1
222.08533	1.0
229.08720	4.5
230.09196	0.3
240.04155	0.3
251.03427	0.3
282.04984	0.3
293.11856	0.3
294.05640	0.3
296.03192	0.8
300.06403	0.7
309.11542	0.5
311.05396	0.4
315.08707	1.8
316.17520	0.3
321.11353	0.8
337.07159	0.3
337.10815	1.2
351.12460	1.1
365.10291	12.6
366.10495	1.6
379.11884	2.0
380.09097	0.2
380.12677	5.9
381.12973	0.7
395.15012	100.0
396.15356	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	395.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84751	1.1
70.85076	0.6
98.20605	0.6
98.89745	0.6
107.89495	0.6
121.02895	0.7
133.02925	0.7
136.01703	0.8
143.05092	1.5
143.57487	0.6
144.05766	0.9
157.06602	5.9
159.04559	1.3
159.08182	13.2
160.08485	1.2
161.02498	1.3
174.03246	1.3
175.07649	1.6
178.43364	0.5
185.06142	0.8
187.04079	1.1
189.01698	0.6
201.05614	2.1
202.06345	1.3
203.07169	47.9
204.07539	5.0
221.08223	10.6
222.08522	0.8
229.08739	3.5
296.03088	0.6
365.10352	9.9
366.10748	0.7
379.12021	1.2
380.12708	5.2
381.12955	1.0
395.15021	100.0
396.15359	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	395.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88348	1.2
59.01386	9.1
61.90418	1.3
65.00342	2.1
67.22173	1.3
69.41501	7.7
78.95900	1.8
80.02657	1.4
96.96027	3.3
98.20816	1.8
102.89740	1.1
107.05036	2.6
108.02184	47.1
112.82114	1.2
117.44766	1.1
121.02963	11.8
123.00855	2.1
123.04536	31.7
123.05403	2.3
131.05048	2.2
133.02962	8.3
134.03726	1.8
135.04552	1.5
147.04576	2.5
149.02490	3.1
149.06067	1.2
152.01186	2.6
156.75714	1.2
157.06641	1.2
159.04503	4.0
159.08188	3.0
161.02461	11.9
163.00404	5.2
163.03996	2.2
167.03506	79.1
168.03816	1.8
173.06146	2.7
173.99335	2.6
175.03976	2.8
175.07683	4.3
176.01248	1.3
176.04810	2.1
177.01939	6.2
177.09172	6.0
178.02740	3.1
187.00374	1.6
187.04073	1.4
189.01865	3.4
189.09203	1.7
201.09300	1.8
202.09134	1.0
203.07108	8.3
207.02788	2.0
211.07632	2.4
213.09274	4.9
217.05072	2.5
219.02887	1.7
221.08275	4.2
223.07857	1.7
224.08321	1.3
239.07248	3.9
240.04240	1.4
241.08586	1.5
242.09511	8.3
252.04369	1.6
266.21927	1.2
268.03809	2.7
277.12329	1.5
281.04507	1.5
293.08334	1.1
295.09818	1.2
296.03372	4.0
309.11389	2.7
311.05627	4.1
321.11481	6.0
326.07990	1.4
336.10391	1.2
337.07333	1.9
337.10873	8.6
352.12805	1.7
362.16489	1.4
365.06540	4.7
365.10406	28.0
366.10745	3.6
367.15598	1.6
377.17163	1.7
380.08716	2.0
380.13028	5.8
395.15100	100.0
396.15558	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	395.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01688	0.9
59.01370	2.5
61.98825	3.2
65.00314	1.2
70.09102	3.1
70.09482	2.1
79.05544	2.6
84.32365	1.1
85.49576	1.0
85.50143	0.9
96.96027	1.9
97.46434	0.9
107.05037	17.0
109.02902	1.2
110.00117	2.9
122.03728	2.1
123.00911	1.9
125.02414	1.9
129.07074	0.9
131.08675	1.3
134.03725	0.9
135.04573	2.0
136.98807	3.9
137.02486	1.3
148.01703	2.6
149.02417	3.1
150.03278	7.8
151.04041	1.2
157.06560	3.1
159.04500	3.0
160.01674	2.1
160.05347	1.2
161.02457	2.9
163.00352	2.0
165.05519	1.9
171.04523	1.0
175.07652	48.7
176.01176	5.4
176.08018	2.8
177.01859	2.1
178.02736	7.9
183.08165	1.8
187.03981	1.7
193.05083	9.8
196.41847	1.1
199.07753	5.8
201.05536	2.8
204.00641	20.9
205.01245	3.1
209.05989	1.4
219.03006	28.5
220.03447	2.3
223.07660	1.2
225.09283	2.6
227.07155	9.0
231.08266	1.1
233.06169	1.5
235.07639	1.2
241.08577	1.3
247.07675	2.0
249.05466	1.1
251.07077	3.2
253.08667	1.9
259.07672	1.6
261.05557	2.7
263.03427	2.9
263.07150	2.0
264.07874	1.8
265.08566	1.7
269.08151	8.0
274.02823	1.2
275.07162	3.8
276.07715	1.6
277.05075	2.1
277.08682	2.9
279.06659	1.5
281.08270	1.2
283.09836	1.9
289.04993	2.6
291.06625	2.2
291.09970	1.5
292.07343	1.8
293.08325	5.4
297.07639	3.8
303.06680	4.1
304.07455	12.3
305.04749	2.2
305.08087	4.0
306.05017	1.0
306.08673	1.1
307.09875	2.2
308.06815	1.3
312.10083	1.4
319.06113	2.2
319.09616	1.4
320.06876	3.2
321.07568	2.3
331.06204	2.4
332.06857	2.8
333.04092	1.5
333.07761	3.7
335.09213	4.3
336.09921	3.0
337.07098	2.1
347.05646	1.1
348.06348	10.8
349.10764	1.2
350.07910	2.8
351.12515	1.7
353.10242	1.1
363.08749	11.9
363.19183	1.1
364.09140	1.1
365.06467	1.4
365.10413	5.9
366.10745	1.6
367.11954	10.6
368.12347	1.0
377.10007	2.3
395.11346	100.0
396.11639	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	395.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84307	0.6
58.01736	0.6
59.01375	2.6
61.98840	1.9
63.58478	0.6
69.20819	2.3
69.21246	3.7
79.05536	5.4
96.96011	1.3
104.02670	0.7
107.05042	26.5
111.08270	0.6
121.02950	1.0
122.03777	3.6
123.00868	1.7
124.01663	1.0
131.08656	2.0
132.02187	1.6
133.02988	1.3
133.06619	1.4
135.00925	1.1
135.04474	1.1
137.02417	0.8
139.04056	0.8
147.00891	1.2
148.01707	4.7
149.02446	3.7
150.03242	13.6
151.03789	1.1
157.06624	4.1
159.04521	4.5
160.01611	1.6
160.05266	2.5
161.02448	2.7
162.03171	1.2
163.00401	1.2
163.04001	1.4
164.01126	2.8
165.05585	1.4
170.90929	0.7
173.06122	1.6
175.00406	1.0
175.04048	2.2
175.07654	100.0
176.01160	10.5
176.07994	7.3
177.01927	4.2
178.02713	12.0
179.03366	1.2
187.07602	0.6
190.02658	1.6
191.03465	2.1
193.05060	19.5
193.06813	1.1
194.05348	1.4
199.07764	0.8
200.04648	0.7
201.05557	4.3
202.06302	0.9
204.00648	43.8
205.01126	5.1
210.01703	1.1
213.00842	0.8
215.07083	1.0
219.02992	56.1
220.03395	4.0
223.07591	0.8
227.03389	1.0
235.07379	0.7
255.06540	0.8
277.08661	1.0
281.04559	2.0
293.04596	2.0
298.05066	0.7
306.09296	1.1
333.07980	0.7
334.08615	1.6
336.09933	4.3
349.10742	1.0
350.07944	1.9
351.08542	0.8
351.12466	2.1
351.16302	0.8
361.07196	0.8
362.08002	2.1
365.10400	4.9
367.11688	1.1
377.10266	10.4
378.10400	1.2
378.66858	0.7
380.09167	1.8
395.11267	16.2
395.15820	1.1
396.11777	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	395.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
65.88309	0.5
70.03133	2.8
71.92673	0.5
78.48198	0.5
93.03495	0.6
107.05055	1.0
108.02145	1.0
109.02929	0.6
121.21823	0.6
123.00894	0.5
132.02174	3.8
133.03056	0.6
145.02908	0.8
147.00995	0.6
147.04539	0.8
148.01668	1.8
149.02448	1.4
150.03185	0.8
151.00323	0.7
157.06631	5.2
160.01677	3.2
161.02473	4.6
162.03250	2.6
163.00359	1.9
163.04005	1.4
164.01166	26.0
165.01482	1.1
173.06087	1.9
175.04028	3.6
175.07628	1.7
176.01181	0.7
177.01941	8.9
178.02780	3.4
179.03485	8.7
180.03690	0.7
185.02422	1.0
190.96736	0.7
190.99818	0.8
191.07138	1.4
192.04301	2.1
193.05034	1.8
199.04054	0.9
200.04836	0.6
201.05554	3.9
211.04051	0.7
213.02028	0.7
219.06577	1.4
221.09865	0.6
226.02881	1.0
227.03471	1.4
231.06572	0.6
235.03879	0.9
235.07515	0.9
238.82628	0.6
241.05052	0.6
247.03827	0.6
247.07475	1.1
249.05363	0.8
249.57605	0.6
255.02759	0.6
256.03583	0.7
261.09201	1.3
262.09891	1.2
263.03494	1.3
263.06921	1.4
264.08160	0.7
265.08719	1.6
269.04376	0.7
275.07312	1.6
277.08664	2.1
278.09412	1.3
279.02936	1.1
283.02542	0.8
289.08652	3.5
290.09402	1.9
291.02994	1.5
291.06729	2.9
291.10007	0.7
293.04892	1.2
293.08267	1.9
294.05035	0.7
298.04965	1.4
300.05185	0.9
305.08188	2.3
306.08972	9.8
307.02530	2.4
307.09534	1.5
308.06949	0.6
308.10559	0.9
309.07574	0.8
310.08466	0.6
313.07132	3.1
313.60413	0.6
315.07663	1.5
317.08298	2.6
318.08755	1.3
319.02557	1.9
319.06204	1.5
321.07599	1.1
323.09549	0.9
333.04001	0.9
333.07654	5.7
334.08438	10.1
335.08829	1.9
336.10046	4.4
337.10495	0.7
338.08008	0.7
338.27542	0.6
345.07730	3.7
346.08356	1.7
347.05502	1.8
349.10730	5.2
350.11380	1.2
351.12292	4.8
361.07166	12.6
362.07928	17.9
363.08365	2.0
367.11850	4.3
368.11856	0.7
377.10312	100.0
378.06067	1.0
378.10660	13.6
380.08975	1.1
395.03525	0.7
395.11337	8.1
395.20782	1.0
396.11453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26717	0.4
56.54765	0.4
57.03468	0.5
59.01378	1.3
65.00315	0.6
69.03463	0.6
70.92377	0.7
70.92712	0.9
71.01392	0.8
74.78523	0.4
82.31329	0.5
93.03483	1.0
95.01407	1.7
95.05035	5.4
101.02423	0.6
105.03473	0.9
105.51855	0.4
106.04256	0.7
107.01418	0.6
108.02183	3.1
109.02953	1.5
112.04073	0.6
117.03475	1.5
119.08681	2.5
119.09435	0.5
119.70418	0.4
121.02966	4.8
122.03772	4.7
123.00896	18.1
123.04491	0.8
129.07132	1.0
130.04253	4.2
131.05008	0.6
132.02141	0.7
133.02968	9.1
134.03722	1.8
135.00882	0.7
135.04567	0.7
136.01646	1.3
137.02435	1.3
138.03262	4.6
142.48401	0.4
143.05028	1.5
144.05785	1.1
145.02992	1.3
145.06586	3.0
146.03754	1.4
147.04506	0.9
147.08174	1.1
148.01688	10.2
149.02431	2.5
149.99591	1.8
150.03250	0.7
151.00346	0.8
158.03758	6.3
159.04529	3.4
160.01704	0.9
161.02464	16.9
161.06113	1.8
162.03239	100.0
163.00385	0.7
163.03871	9.3
163.07660	28.6
164.01180	2.1
164.04578	0.8
164.07993	1.6
171.04517	1.0
172.05302	4.1
173.06082	64.2
174.03259	0.5
174.06407	4.7
175.04021	2.0
175.07603	0.7
176.01189	2.5
177.01987	1.0
177.05582	13.7
178.05978	1.4
187.04004	2.2
188.04761	1.6
189.01904	3.7
189.05620	4.7
190.02693	0.7
191.03519	1.5
191.07152	68.2
192.07515	4.0
193.01453	1.0
199.03998	1.4
201.05557	2.6
202.02788	1.0
203.03482	1.2
203.07100	0.8
204.04118	0.8
216.04283	0.8
217.05058	7.4
218.05681	1.3
219.06592	0.7
231.06708	0.8
235.06113	1.6
243.06537	1.0
251.07324	0.6
264.04340	0.7
265.04959	0.6
268.03647	0.6
277.05267	1.1
278.05759	0.6
281.04587	1.0
293.04559	0.9
295.06119	0.7
296.03290	0.8
297.04004	0.7
298.04779	3.5
299.05029	0.8
300.05591	1.4
307.09686	1.2
309.04025	2.1
309.07773	1.2
310.04913	0.9
311.05536	0.6
312.33981	0.4
313.07190	6.6
314.07260	0.8
315.08194	5.4
321.03976	0.6
321.07883	0.9
323.05627	5.6
335.09296	2.4
336.09998	1.1
337.07202	1.1
350.07724	0.7
352.09546	1.8
353.10007	0.6
362.07867	1.4
363.08771	5.4
364.09308	1.4
367.11877	1.8
377.10388	2.0
379.07773	0.5
380.04102	1.0
380.09042	26.7
381.09433	3.1
395.11374	63.2
396.11716	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	395.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	2.7
66.29270	0.6
69.20180	6.3
81.05833	0.6
85.91548	0.5
98.74274	0.6
107.04998	2.1
108.02171	1.0
121.02930	0.6
123.00861	0.9
132.02200	3.1
133.02930	1.5
137.02393	0.8
147.04532	1.1
148.01642	2.5
149.02385	1.2
150.03189	1.2
151.00308	0.8
157.06615	8.8
158.06807	0.7
159.04539	1.3
160.01634	2.0
161.02475	7.2
162.03271	4.8
163.00391	3.1
163.04008	0.8
164.01178	29.9
165.01491	1.4
172.05286	0.9
173.06133	3.7
175.03970	1.3
175.07681	4.3
176.01122	2.4
177.01949	11.5
177.05495	0.8
178.02730	5.2
179.03526	10.9
180.03838	0.7
183.04471	0.7
187.04086	0.9
187.07639	1.1
189.01891	0.9
190.96707	3.2
190.99826	1.0
191.07132	2.8
192.04221	2.4
193.05013	2.6
200.04752	1.0
200.71642	0.7
201.05605	9.3
203.07117	1.3
213.01961	0.8
214.72009	0.6
215.07173	3.5
219.06563	3.4
223.04077	0.7
226.02710	0.8
227.03500	1.7
238.09729	0.7
247.07596	0.8
249.05463	0.8
249.09352	0.9
251.03426	1.3
261.09103	1.2
262.10135	0.7
263.03729	1.0
263.07205	0.9
264.08005	0.7
265.04861	0.7
265.08664	2.2
275.07254	1.5
277.08731	2.4
278.09448	1.5
279.03067	1.9
279.10114	0.8
281.04346	0.6
289.05637	0.6
289.08478	3.3
290.09262	1.1
291.03027	2.3
291.06461	1.4
292.03271	0.8
293.04514	1.9
293.07968	1.3
300.98212	0.6
303.02887	0.9
305.08215	2.8
306.09018	9.0
307.02710	0.8
307.09528	1.6
308.10382	1.2
317.08215	2.3
318.08972	1.7
319.02509	4.1
319.06143	1.4
319.09561	1.4
333.07626	5.8
334.08511	9.5
335.08844	2.4
336.10187	3.3
345.07693	3.2
346.08456	1.7
347.05545	1.7
349.10904	6.8
351.12509	6.0
361.07175	7.2
362.08005	15.9
363.08426	2.5
367.11829	2.7
377.10321	100.0
378.10623	14.4
380.09000	2.9
381.09778	0.8
395.11368	36.8
396.11700	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	395.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98865	1.8
57.03461	12.6
59.01386	100.0
60.08682	1.9
61.98845	5.4
71.01392	32.6
71.53782	2.0
72.99326	5.9
73.02950	18.4
75.00860	3.4
80.12878	2.2
83.01392	4.9
85.02952	12.8
87.00877	7.3
89.02457	22.8
95.01389	3.2
96.04467	2.4
99.00896	4.3
99.04519	10.1
101.02457	26.1
108.04601	2.7
113.02462	20.0
119.03529	6.3
125.02461	7.2
126.84410	2.0
131.06248	2.5
131.07167	3.6
138.01973	2.3
138.05675	2.6
143.03496	3.1
150.05588	2.6
152.03529	2.6
157.01465	2.9
161.04578	12.2
163.03912	2.3
179.05592	4.0
210.11403	2.5
215.12856	3.6
224.09210	2.6
239.09267	2.6
250.13721	2.4
251.11447	3.1
263.11328	5.8
333.35910	2.2
335.16998	11.6
395.14951	11.9
412.39844	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	394.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17490	0.3
56.28492	0.2
59.01382	0.7
61.21838	0.3
61.98834	100.0
69.75053	1.4
96.44516	0.3
96.96033	0.3
97.02975	0.4
148.56192	0.3
161.02467	0.5
175.07701	0.3
265.91962	0.3
308.09781	0.5
310.11584	0.4
394.10141	0.5
394.18118	2.3
395.11084	0.4
395.18860	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	394.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83183	1.6
56.95034	1.2
59.01376	1.9
61.98823	1.5
66.50418	1.5
71.55157	2.3
78.51543	1.4
91.00253	1.5
96.95979	1.7
107.05033	4.3
108.05376	3.1
120.05373	2.4
121.02901	1.8
126.07743	1.6
130.04262	1.4
135.04539	13.4
136.04893	6.2
148.58742	1.3
157.06598	2.2
159.08159	1.9
161.02484	4.0
161.79242	1.5
162.02878	2.7
178.13248	1.8
203.07283	2.0
225.09181	5.5
226.09732	8.8
227.10452	5.3
246.15773	2.1
249.12704	1.4
262.13269	3.6
306.19510	8.9
325.62180	1.6
332.20984	2.8
350.22116	22.3
351.22330	3.3
365.10318	3.4
365.84985	1.4
376.20001	43.8
377.20200	4.9
394.13736	5.2
394.21057	100.0
395.15689	3.0
395.21481	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	394.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03455	12.0
58.00591	1.6
59.01385	51.3
61.98831	0.6
63.70415	0.5
64.51042	0.6
69.03465	0.7
71.01389	46.7
71.05021	1.1
71.54502	0.6
72.00906	0.7
72.01721	1.1
72.99305	1.9
73.02953	6.8
75.00909	0.6
81.03497	0.6
83.01396	3.2
83.05046	0.8
85.02957	7.8
85.06594	13.6
87.00893	2.9
87.04521	2.4
88.04048	6.7
89.02455	18.5
95.01416	1.6
97.02991	0.9
99.00885	1.7
99.04527	10.0
101.02460	19.9
101.06091	4.3
111.04519	0.6
113.02464	10.5
113.06077	2.2
115.03998	0.6
115.11411	0.5
116.03544	1.3
117.05591	2.0
119.03519	6.2
125.02476	3.7
130.08716	1.5
131.03499	1.1
131.07156	1.6
136.01735	0.6
140.00519	0.6
140.10777	0.7
142.08757	2.3
143.03514	1.5
143.07181	1.2
144.07544	0.5
145.08698	0.9
149.04599	0.6
159.03011	0.7
160.09805	49.7
161.04550	4.6
161.10217	2.6
166.05934	0.9
171.28275	0.5
179.05592	1.8
188.13039	0.8
196.06963	0.8
214.11053	1.1
215.06703	0.5
215.12914	4.0
225.56442	0.6
225.74066	0.6
239.09457	0.6
251.11368	6.4
262.13696	0.7
263.07632	1.1
277.12726	0.7
293.12485	0.9
304.14111	0.6
322.15063	5.8
335.17139	1.5
376.16006	2.8
394.17239	100.0
395.17902	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	393.278
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29355	23.0
71.29677	21.4
96.96037	31.8
276.06659	16.6
375.19397	47.2
393.20761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02376	0.3
55.01884	0.3
57.03447	0.6
59.01379	3.7
60.01703	0.3
61.63696	0.3
71.01390	2.0
71.55251	0.4
71.55632	0.4
73.02954	0.6
74.07214	0.3
85.02962	1.3
89.02457	0.5
95.01397	0.3
101.02460	0.7
102.03499	7.2
103.03858	0.3
113.02484	1.3
120.04575	0.7
120.53551	0.3
130.03008	0.6
134.28047	0.3
146.02495	0.6
148.04068	1.0
158.02484	100.0
159.02843	5.4
176.03543	30.3
177.03864	1.6
180.85609	0.3
190.05109	89.8
191.05444	6.4
201.12773	0.3
203.14549	0.4
215.14565	0.3
233.15465	1.2
346.29303	0.3
395.11871	0.5
395.16577	0.4
395.20758	2.4
395.24863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07924	0.4
56.61318	0.4
59.01385	100.0
60.01725	1.2
70.01381	2.0
118.44639	0.5
161.02499	1.2
179.87675	0.5
201.11421	0.8
209.12022	0.6
281.07819	0.6
349.07169	0.8
365.06497	1.0
365.10593	1.2
393.09821	4.1
393.14017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2076
Annotation	5'-Hydroxytriptiliocoumarin
Peak:m/z	Relative Intensity
59.01381	1.7
60.64870	0.6
61.59964	0.6
69.39379	0.6
72.94993	0.6
80.96574	0.6
98.20675	1.4
106.04256	0.7
107.05048	2.5
108.02192	0.6
119.05097	0.8
119.14961	0.5
121.02980	2.8
122.03803	1.1
123.00878	0.9
134.03767	5.8
135.04530	6.4
137.02437	2.0
141.07147	1.3
149.02451	9.7
161.02458	2.1
171.08124	1.4
173.06104	1.4
174.06866	2.3
175.07635	0.7
177.13019	0.6
181.10245	1.2
187.07639	1.4
188.08443	5.5
189.09163	1.2
213.09219	2.2
223.07672	0.7
225.09232	100.0
226.09598	8.9
261.12991	0.6
269.08261	3.7
283.61664	0.6
331.20724	0.6
349.21741	28.0
350.22040	3.1
375.19763	6.3
376.20047	0.8
393.20712	85.7
393.27966	8.2
394.21054	16.0
394.28378	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	393.2076
Annotation	3,5-Dihydroxy-4-geranylbibenzyl-2-carboxylic acid
Peak:m/z	Relative Intensity
59.01371	1.4
82.34684	0.4
96.95982	0.6
107.05026	1.6
117.47787	0.5
121.02917	0.9
122.03753	0.6
123.04374	0.5
134.03743	1.4
135.04541	6.2
137.02478	0.6
149.02438	1.7
161.02486	1.0
190.06326	0.6
201.05473	0.4
213.09207	3.4
225.09218	31.5
226.09850	6.8
257.15341	0.5
261.12885	0.5
305.19016	0.8
349.21729	57.5
350.22086	8.6
375.19653	4.3
376.20190	0.8
393.20709	100.0
394.21039	19.4
395.68790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
68.13556	0.4
68.99811	0.4
69.25349	2.0
69.25774	1.8
83.01382	0.6
83.89187	0.4
93.03463	1.7
106.04239	1.5
107.05053	0.6
108.02158	0.6
120.02186	0.6
121.02968	2.9
122.03658	0.6
123.00916	0.6
123.57675	0.5
134.03758	7.7
135.04512	0.7
137.02475	2.2
141.07146	0.5
149.02455	8.3
150.02829	0.5
157.06563	0.9
161.02455	6.1
171.08209	0.8
175.07698	0.9
176.04834	1.1
179.08685	0.5
181.10228	5.3
182.10629	0.5
183.08174	1.1
187.03973	0.5
197.09682	0.7
201.05623	1.2
202.06322	0.7
213.09232	3.2
225.09221	100.0
226.09572	8.6
269.08191	24.1
270.08600	2.7
279.79901	0.6
293.35754	0.5
349.21732	55.7
350.22055	8.2
363.08856	1.8
375.19476	1.0
378.11002	1.2
393.13074	4.7
393.20770	41.7
394.14001	0.8
394.21140	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	393.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98760	1.0
57.03448	4.9
58.94452	1.1
59.01381	1.7
69.03454	1.4
70.86488	2.2
75.02404	4.4
77.03983	1.2
77.36837	1.0
80.02681	1.3
91.05536	4.4
93.03461	3.1
95.05039	3.7
96.70689	1.0
103.98862	1.1
109.06622	1.4
117.03456	12.4
118.04264	60.8
119.04604	1.9
124.01675	26.8
125.02475	1.4
129.07109	2.0
131.05042	14.4
132.05334	1.2
133.06596	1.4
135.04507	2.5
137.02461	1.1
147.07080	2.0
147.08174	25.9
148.08519	2.0
156.05858	1.5
157.06575	2.9
159.04492	1.7
161.02483	9.0
170.07401	3.2
171.08171	10.9
173.06122	4.6
175.07663	18.2
176.04819	1.8
176.07942	1.7
177.12836	12.2
186.10489	2.5
189.09203	4.6
193.16048	2.3
201.05583	2.2
201.12865	90.4
202.13184	7.2
212.08418	1.8
215.07196	6.8
217.15976	7.9
218.86400	1.1
219.13908	100.0
220.14256	9.0
261.14981	64.5
262.15338	4.8
267.13892	2.3
293.87915	1.1
299.13135	1.3
307.20682	6.7
337.84860	1.2
349.21732	62.7
350.21964	9.5
363.08667	3.2
375.19650	2.6
378.11127	2.4
393.13000	11.1
393.20444	25.1
393.25107	2.3
394.13809	1.6
394.20633	4.9
411.81360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2075
Annotation	3,5-Dihydroxy-4-geranylbibenzyl-2-carboxylic acid
Peak:m/z	Relative Intensity
59.01376	1.3
61.98811	0.6
65.00309	0.5
69.41242	2.7
91.01887	0.4
107.05036	1.7
108.02163	0.7
118.50239	0.4
119.78006	0.5
121.03028	1.0
122.03724	0.6
123.00888	0.5
133.02982	0.8
133.95764	0.5
134.03752	2.3
135.04533	6.5
136.01675	1.3
137.02504	0.5
149.02449	3.1
157.06610	1.6
159.04570	0.9
161.02444	12.7
162.02805	0.6
163.00404	0.7
173.06139	0.9
175.07651	1.8
176.01151	0.7
176.04805	1.6
183.29799	0.5
201.05618	2.2
202.06288	0.6
203.10786	1.0
209.06085	0.5
213.09193	3.2
215.07077	0.5
217.16109	0.9
225.09229	40.3
226.06247	0.5
226.09738	6.9
253.08443	0.5
267.06613	0.5
269.08237	1.7
274.07898	0.6
276.11749	0.5
289.10706	0.6
307.09845	0.6
319.09900	0.6
331.20789	0.5
332.76923	0.5
335.09064	0.8
345.07956	0.5
349.21729	100.0
350.22070	19.3
351.15842	0.5
363.08752	5.0
375.19794	1.2
378.11053	1.9
393.12918	8.9
393.21011	66.2
394.13382	0.9
394.21313	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	393.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83567	1.1
57.03447	4.3
59.01378	3.1
69.03452	1.6
69.74603	5.4
75.02388	4.1
77.03973	2.3
79.05556	1.1
81.03500	1.0
85.12431	1.0
91.05538	4.9
93.03473	4.2
95.05022	4.3
107.05045	2.2
109.06596	1.8
117.03473	12.9
118.04259	66.3
119.04562	1.4
121.82327	0.9
124.01672	31.3
125.02486	1.6
129.07101	2.2
131.05048	16.9
131.08664	1.1
133.06520	1.5
135.04491	2.1
135.08087	0.9
136.86136	1.0
146.53047	0.9
147.08174	25.4
148.08490	1.7
149.02562	1.2
149.09772	1.1
156.05858	1.5
157.06584	3.2
159.04532	2.1
159.71306	0.9
161.02466	21.1
162.02910	1.4
170.07338	3.5
171.08199	14.3
171.76056	0.9
173.06107	5.0
175.04141	1.2
175.07649	24.4
176.04822	1.9
176.07991	1.2
177.07138	1.0
177.12842	13.4
186.10472	2.9
187.04045	1.6
189.09183	4.0
193.15956	2.7
201.05620	3.9
201.12866	95.6
202.13235	8.6
215.07144	8.4
217.15999	7.1
219.13908	100.0
220.14258	7.5
226.06409	1.9
226.09872	1.6
235.16901	1.9
241.69165	1.0
243.13855	1.5
261.14972	71.0
262.15347	7.8
265.12299	1.2
267.13895	2.0
271.13318	2.5
289.14441	2.2
299.12958	2.5
307.20691	7.9
349.21741	68.2
350.22122	8.4
363.08804	6.6
375.19669	4.4
378.11014	3.0
393.13443	13.2
393.20483	35.3
394.13846	3.4
394.20798	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	393.2074
Annotation	3,5-Dihydroxy-4-geranylbibenzyl-2-carboxylic acid
Peak:m/z	Relative Intensity
54.82168	0.4
56.24384	0.3
60.66715	0.4
71.17330	0.7
81.03442	0.9
82.38926	0.4
86.92568	0.4
93.03447	0.7
95.16353	0.3
106.04217	1.1
107.05046	8.9
115.58011	0.3
119.05050	2.0
121.02898	0.5
122.03669	0.7
129.74355	0.4
134.03702	0.9
135.04543	19.3
136.04965	0.8
143.04971	0.8
149.02428	1.1
149.06093	0.5
157.06590	2.3
159.08195	1.7
161.02380	0.6
161.06084	0.7
169.06575	0.4
171.08194	1.8
177.12852	2.0
181.10242	0.5
183.08209	0.5
185.09720	0.8
188.08459	0.4
189.09258	2.8
190.09706	0.4
195.08083	0.7
197.09753	0.7
197.68022	0.4
203.07108	0.9
211.07515	0.6
213.09146	1.4
215.07111	1.8
225.09221	12.4
226.09962	9.0
227.10739	2.1
227.14418	1.0
237.09216	2.0
238.09752	0.7
239.10707	1.3
245.09534	0.5
247.11221	0.9
248.12054	0.6
251.06982	1.2
253.08733	0.6
258.16248	0.6
261.12912	4.5
262.13531	1.5
263.07178	0.9
263.14410	0.5
265.08783	1.0
265.12347	0.8
266.09473	0.4
267.13901	0.8
269.08215	1.6
272.14218	0.4
277.12299	1.0
279.13950	1.0
281.08395	0.4
291.10339	0.7
305.11829	1.7
305.19159	8.5
305.22659	0.4
306.12515	0.4
306.19418	0.9
319.01968	0.3
331.20612	3.2
331.49484	0.4
332.21075	0.6
349.21750	26.6
350.22083	4.0
375.19675	52.9
376.20032	10.0
393.20749	100.0
394.21066	23.7
409.69516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.7
55.17131	0.5
57.03455	3.2
58.00601	1.1
59.01384	59.0
60.01718	0.9
69.03474	0.9
71.01387	51.1
71.55402	0.7
72.01739	0.8
72.99316	1.6
73.02951	29.2
75.00868	1.8
83.01396	10.5
85.02957	26.7
87.00892	2.7
89.02444	9.3
89.69258	0.7
95.01408	3.0
97.02956	2.1
99.00887	10.2
99.08170	1.1
101.02451	47.8
102.02786	1.4
111.00891	1.1
113.02459	20.2
114.02848	0.7
115.04037	1.3
124.94753	0.7
125.02458	3.9
129.01938	2.1
131.03520	2.9
142.88452	0.6
143.03505	2.3
149.02429	0.7
149.04581	1.2
159.02965	4.4
161.04572	21.1
162.04820	0.9
163.09074	0.5
165.05621	0.9
233.06657	2.2
261.13440	78.2
262.13754	5.9
263.73746	0.6
305.12305	0.7
393.17670	100.0
394.17993	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	393.1711
Annotation	epi-Conferdione
Peak:m/z	Relative Intensity
54.66501	1.0
55.86008	1.1
57.03446	3.0
58.48793	1.1
59.01383	3.5
61.98839	1.4
65.03973	1.3
66.73977	1.1
67.01882	1.4
68.02565	1.1
69.42645	2.3
69.43055	6.6
74.40732	1.4
77.86352	1.2
78.95909	3.2
81.07106	1.4
83.05038	39.9
91.01892	1.3
93.03476	5.3
96.96030	1.3
98.19971	2.7
98.37331	1.4
102.45086	1.3
107.05053	3.9
108.68100	1.2
121.02978	2.5
121.06619	2.4
122.03844	1.6
123.08179	69.2
124.08508	3.4
128.65747	1.3
134.03758	3.7
147.04575	2.8
149.02448	3.0
156.05777	1.2
157.06590	2.1
159.04546	8.3
161.02521	4.8
171.08073	1.5
174.06844	1.6
179.08720	2.0
183.08128	2.1
195.08057	1.7
197.09772	1.7
201.05690	2.4
203.03523	2.4
211.07635	4.7
213.09232	5.8
221.09860	1.7
223.07607	8.9
224.08293	1.3
225.09230	50.1
226.09619	4.6
233.11441	1.4
237.09337	1.7
239.07130	1.8
239.10797	4.3
241.08719	2.2
251.07089	3.9
263.07059	2.9
263.11002	2.5
265.08896	1.7
265.12369	7.5
281.08319	3.3
291.10388	6.2
291.13290	1.2
292.11102	1.8
305.11990	2.0
305.15543	2.5
309.11395	1.2
311.22412	4.1
313.40549	1.2
349.14404	2.7
349.18265	5.1
357.14929	1.4
363.08817	1.6
375.16052	83.5
376.16324	14.8
393.17188	100.0
394.17514	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	393.171
Annotation	epi-Conferdione
Peak:m/z	Relative Intensity
57.03453	2.0
59.01388	3.9
65.00338	3.1
68.99803	1.8
69.03472	1.8
69.57353	4.2
69.57767	2.3
83.01398	1.1
83.05048	1.0
94.67284	0.9
95.01410	1.2
96.96033	2.1
107.01386	1.7
107.05039	3.0
108.02202	1.3
109.06597	1.1
121.02979	1.2
133.02954	2.6
134.03789	2.8
135.00856	2.6
135.04544	7.3
136.01685	8.1
137.02481	1.5
137.09770	3.1
145.05078	1.1
145.06569	1.3
146.30095	0.9
147.55411	1.0
149.02434	4.1
151.00380	1.0
157.06589	2.1
159.04517	2.9
161.02463	20.1
162.02859	1.1
163.00371	3.1
164.01126	4.4
171.04535	3.4
171.08240	1.4
173.06082	2.0
175.04022	1.9
175.07643	2.7
176.01143	3.5
176.04761	5.7
187.04091	1.6
188.25096	0.9
189.01959	1.0
201.05576	3.7
203.10815	4.2
204.04372	1.5
209.06148	1.4
213.09224	4.7
221.11798	3.0
225.09239	47.1
226.09785	7.4
253.08560	1.2
255.06558	2.1
267.06625	3.8
269.08127	1.9
279.06723	2.7
289.10953	6.1
307.09735	1.2
310.01514	1.0
321.92453	1.1
323.12949	1.4
324.13513	1.1
349.21732	100.0
350.22070	14.6
351.16043	2.0
363.08774	6.9
378.11142	4.0
393.13058	8.8
393.17050	87.7
393.20917	55.5
394.12906	1.8
394.16986	15.3
394.22171	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	393.1708
Annotation	epi-Conferdione
Peak:m/z	Relative Intensity
57.03435	2.1
59.01379	2.2
65.03960	1.7
67.01888	2.2
80.87732	0.6
81.07103	1.9
83.05035	48.8
84.05380	1.5
91.01883	1.6
93.03440	5.7
95.05106	0.7
95.73589	0.6
96.96053	0.9
98.19833	1.4
99.08730	0.7
106.04263	0.8
107.05040	6.8
108.02192	1.0
110.59890	0.6
111.33484	0.6
119.05032	3.5
121.02977	4.2
121.06606	2.9
122.03765	1.8
123.08173	81.5
124.08503	4.5
134.03754	2.2
135.04608	0.9
137.02452	2.1
144.35666	0.5
148.05310	0.7
149.02463	5.5
156.05807	1.2
157.06567	1.7
159.04494	1.9
161.02466	4.6
169.06673	0.7
171.08113	1.3
173.06187	0.8
174.06781	0.8
183.08191	2.6
187.03993	0.9
197.09700	1.8
201.05527	1.5
211.07611	1.1
213.09189	7.1
214.09546	0.9
223.07584	1.1
225.09230	58.0
226.09592	6.1
237.09198	2.0
239.07214	2.4
239.10692	3.8
241.08775	1.1
247.11150	1.0
251.07092	2.2
263.07245	0.8
263.10699	0.9
265.12341	10.3
266.12778	0.9
281.08176	3.0
282.08411	0.7
287.14551	1.3
291.10321	7.2
291.13376	1.3
292.10904	1.6
305.15469	0.7
309.11362	1.8
319.75797	0.7
331.16937	0.7
349.17715	0.7
360.51083	0.8
363.08649	0.9
375.16025	80.0
376.16397	12.2
378.10712	1.0
393.17120	100.0
394.17377	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	393.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
57.03453	1.9
58.00618	0.8
59.01385	100.0
60.01725	0.8
61.98851	3.2
68.99818	1.1
69.03469	1.1
71.01389	20.5
71.05028	1.1
71.54045	0.7
72.01752	0.7
72.99319	2.5
73.02953	4.7
75.00883	6.7
76.35064	0.6
81.03464	0.9
83.01415	1.6
83.05090	0.7
84.04543	0.7
85.02959	8.9
85.06598	3.5
87.00865	3.6
88.04055	1.4
89.02455	10.8
95.01400	3.2
95.51424	0.6
96.96023	1.1
97.06606	0.6
99.00900	2.6
99.04536	1.5
99.08176	2.1
99.92633	0.8
101.02438	7.2
108.02222	0.8
108.04602	1.0
111.04604	0.8
113.02457	12.9
113.63783	0.7
115.00391	0.9
115.04033	0.8
116.92894	0.7
117.01975	1.0
119.03533	4.1
122.06168	1.3
123.08215	1.3
124.07701	2.6
125.02603	0.7
129.01991	0.9
131.03574	1.2
136.45638	0.7
143.07143	7.1
149.02423	0.8
149.04665	0.7
150.03168	0.8
150.05635	1.1
151.03967	0.9
153.05627	1.4
159.02983	0.8
160.09810	10.5
161.04579	3.5
165.05617	1.8
166.08806	2.1
168.60329	0.8
175.02469	0.8
193.05180	1.7
195.06670	1.7
210.07747	0.7
213.11351	6.2
249.06194	8.8
253.99907	0.7
254.06792	4.6
261.13553	1.4
267.07251	4.1
277.12613	0.8
291.10852	0.8
322.15204	1.4
333.15646	2.1
351.16705	0.9
393.09354	1.3
393.14120	18.8
393.17972	5.5
394.17383	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	393.1346
Annotation	8-C-Methylvellokaempferol 3,5-dimethyl ether
Peak:m/z	Relative Intensity
57.42517	0.5
59.01234	1.0
59.01539	0.8
61.98711	0.8
61.98973	0.7
64.23181	0.5
71.54688	0.6
71.55073	0.9
96.95862	0.8
121.02801	0.7
133.02785	0.7
134.09444	0.5
148.01491	0.6
149.02301	0.9
150.03246	0.5
157.06412	1.1
161.02213	5.4
175.03790	1.0
175.07471	0.7
176.01019	0.8
176.04634	1.0
177.01717	1.1
185.34766	0.5
187.03751	0.5
195.04500	0.5
201.01772	0.5
201.05365	1.3
206.77097	0.5
211.03954	0.7
212.04639	1.0
225.01865	0.8
226.06113	0.5
236.04561	0.8
239.03494	0.6
244.03615	1.5
250.02499	2.1
251.03270	1.9
252.04059	1.7
253.01498	2.7
263.03311	1.7
263.10822	0.9
264.04324	3.2
265.04749	0.6
266.02090	1.8
267.10260	10.4
268.10489	1.1
275.03210	0.6
275.06906	0.5
276.04037	0.6
277.08395	0.6
279.03052	1.1
279.06320	0.7
280.03754	2.7
281.04263	0.6
291.02917	0.7
293.04321	0.8
293.07733	0.5
294.05325	0.6
295.09555	0.7
296.03134	0.9
297.03793	0.7
298.01431	0.6
304.07431	1.0
305.07877	0.7
306.08646	0.5
307.02402	2.1
307.05920	0.5
307.09830	1.5
308.03207	1.4
309.03882	0.5
312.02686	2.2
312.06323	1.5
319.05981	0.8
319.09683	7.6
320.09982	1.7
321.07690	7.2
322.04599	1.0
322.08197	1.3
323.05551	3.1
335.05569	1.7
335.09225	9.2
336.09619	1.6
338.08133	0.7
340.02316	0.7
348.01056	0.5
349.07156	0.8
349.10898	5.9
350.07843	2.0
350.11722	2.4
361.07379	0.6
363.08759	65.6
364.09091	8.9
365.10205	3.0
370.06677	0.5
377.10342	9.7
378.11136	17.0
379.11728	2.4
393.13544	100.0
394.09824	0.6
394.13824	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	393.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95893	0.2
59.01378	0.3
65.03992	0.2
70.92273	0.5
79.05540	0.9
89.03985	0.7
93.03478	0.2
103.05540	0.4
105.03535	0.2
105.07077	0.3
107.05032	3.6
117.03469	0.3
121.02991	0.3
123.00937	0.4
129.07091	0.6
131.05054	0.3
131.08580	0.3
133.02966	3.7
135.04544	0.2
141.03407	0.2
145.02919	0.4
146.03763	0.2
147.04509	0.3
148.01665	0.4
149.06139	0.4
157.06599	11.0
158.03674	0.3
158.06929	0.9
159.04533	7.5
160.04996	0.7
161.02454	77.3
162.02792	4.2
163.00423	1.9
163.03986	0.4
164.01042	0.2
173.02431	0.4
173.06090	2.4
174.03265	0.7
174.06787	0.3
175.04021	3.4
175.07652	10.9
176.01202	0.7
176.04793	13.8
176.07965	0.6
177.01910	0.7
177.05191	0.9
185.02466	0.4
185.06075	1.0
187.00420	1.9
187.04013	6.3
187.07642	0.4
188.04445	0.3
189.01910	0.5
190.02817	0.2
190.06371	0.7
191.07021	0.3
198.03239	0.3
199.04051	0.3
199.07709	0.3
201.05583	17.1
202.06300	4.7
214.02715	0.4
219.06654	0.7
227.03467	0.5
228.04144	0.3
229.04999	1.7
233.06049	0.3
235.11235	0.3
239.07256	0.3
240.04300	0.4
247.07700	0.3
247.11107	0.3
249.09116	0.7
255.02914	0.5
263.03680	0.3
263.10736	0.8
265.08566	0.5
273.09219	0.4
275.07208	0.7
277.05130	0.3
277.08627	0.4
289.08569	0.5
291.10400	1.6
292.07391	0.3
292.10590	0.3
293.08215	0.7
301.08524	0.5
303.06491	0.4
306.05032	0.2
307.09833	2.1
308.03250	0.4
317.08255	1.5
319.06384	0.4
319.09744	3.2
320.03195	0.7
320.06738	0.3
320.10327	0.5
321.03949	0.3
321.07489	0.5
323.05505	0.3
334.12137	0.4
335.05643	0.4
335.09192	4.3
336.09738	0.9
345.07669	2.2
346.08182	0.7
348.06384	0.9
349.10712	0.9
360.09848	0.4
361.10883	0.3
362.07886	0.7
363.08765	29.9
364.09091	4.6
377.10361	2.6
378.11115	14.2
379.11581	1.9
393.13455	100.0
394.13766	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	393.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50632	0.2
59.01384	0.4
61.98841	0.2
65.76627	0.2
69.40704	1.5
69.41123	0.4
84.26896	0.2
86.44347	0.2
89.03969	0.8
105.03465	0.2
107.05048	2.3
117.03493	0.6
121.02937	0.4
123.00920	0.5
129.07150	0.3
131.05003	0.4
133.01947	0.3
133.02968	6.7
149.02472	0.3
157.06599	5.7
158.06937	0.4
159.04549	2.4
161.02455	100.0
162.02797	5.5
163.00430	1.4
165.01950	0.5
173.02397	0.4
173.06076	2.0
174.03250	0.6
174.06682	0.2
175.04033	2.4
175.07648	9.2
176.04800	12.6
176.07994	0.7
177.01930	0.6
177.05196	0.9
179.03522	0.4
187.00328	1.6
187.04019	1.9
189.05472	0.2
190.06349	2.1
201.05573	6.8
202.06216	1.2
203.03439	0.3
219.06671	0.6
229.04942	0.3
243.22607	0.2
249.09315	0.4
291.10236	0.7
293.04434	0.3
293.08051	0.4
307.10095	1.2
307.13120	0.4
308.03192	0.3
317.08157	0.9
319.09781	1.7
321.07724	0.8
321.18265	0.3
323.05432	0.5
325.14569	0.4
335.09222	2.1
336.09949	0.9
345.07770	1.7
348.06390	0.3
349.10672	0.4
351.12463	0.5
363.08762	21.5
364.09109	2.9
377.10565	1.5
378.11087	17.7
379.11389	2.9
393.13452	65.3
394.13757	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	393.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73087	1.2
59.01381	5.9
61.98829	2.6
63.35138	1.1
63.89239	1.1
71.54704	1.1
88.52753	1.0
93.03476	1.9
95.01398	1.2
96.96032	2.9
107.05061	2.2
109.11305	1.1
111.00872	2.1
121.02955	1.8
123.00912	2.1
124.01665	1.9
133.02962	1.2
137.02496	1.1
147.00925	1.3
148.01656	13.9
149.02446	16.1
149.05966	1.1
157.06607	11.4
161.02419	3.3
163.00410	5.6
164.01076	1.5
173.06131	2.2
176.01173	9.8
177.01935	10.0
187.04071	1.5
191.03560	2.7
199.04013	1.9
201.05554	10.5
202.99843	1.1
209.74818	1.0
215.03499	1.6
216.04292	2.0
219.06654	2.1
225.05533	1.7
227.03540	2.1
235.07643	1.8
237.05594	1.8
242.65883	1.1
243.02933	1.3
253.08643	3.8
254.09064	1.6
263.03391	1.2
263.07050	3.2
264.07666	1.6
265.05063	1.1
267.03055	1.8
277.08713	5.3
278.09564	1.9
279.03009	3.8
279.06711	2.3
281.04239	1.1
281.08121	1.5
291.06537	2.4
293.05045	1.0
293.08224	4.0
294.08887	1.6
296.03458	1.4
304.07428	1.9
305.08176	4.6
306.05508	1.2
306.08655	2.4
307.02548	2.2
307.06131	3.0
321.07617	5.8
322.08395	6.1
332.06973	1.7
333.07678	3.4
334.08340	2.4
335.05585	3.1
349.07211	7.6
350.07962	39.9
350.12314	2.0
351.08423	6.2
361.07306	2.7
365.10287	53.4
366.10605	5.8
377.06586	3.9
378.07373	13.6
393.09772	100.0
394.10135	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	393.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32294	0.5
57.03428	0.7
58.36020	0.6
59.01389	5.2
61.18468	0.6
61.98820	1.8
65.00332	0.8
65.82936	0.5
70.09203	2.1
71.01364	0.6
73.02970	0.7
85.02932	0.9
96.96008	1.1
100.25840	0.6
101.02382	0.6
109.02994	0.7
121.02946	1.2
133.02960	0.6
157.08681	0.6
159.04498	0.7
161.02440	6.3
171.04579	0.6
176.04834	1.0
184.05254	1.0
195.04535	2.4
211.04012	2.6
212.04807	2.4
215.03503	0.9
223.04083	2.1
224.04767	1.9
225.05128	0.7
239.03543	5.6
240.04283	3.0
241.04733	0.6
252.03949	0.6
255.03040	2.3
267.03024	4.4
268.03656	3.2
277.08658	0.8
281.04572	0.7
283.02429	1.3
295.02481	2.3
296.03284	100.0
297.03659	9.9
298.04816	3.1
299.05252	0.7
305.08307	0.8
311.05640	67.8
312.05978	7.9
313.07166	8.4
314.07544	1.3
342.82986	0.6
350.07825	1.5
362.08090	0.9
363.08780	1.1
365.10269	1.9
377.06711	0.8
378.07510	1.1
379.08130	0.7
393.09647	9.8
393.13681	1.4
393.23282	2.8
394.09985	1.9
397.29340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.029
Annotation	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Peak:m/z	Relative Intensity
55.18528	0.3
59.01382	3.1
69.16974	1.6
69.17399	2.2
71.01379	1.1
75.41120	0.4
87.04500	0.6
90.01247	0.4
91.64111	0.3
98.19872	0.9
116.25226	0.4
133.02945	0.8
149.99593	0.7
167.04979	0.6
183.04564	1.2
187.03897	0.8
202.06274	0.5
211.04036	14.2
212.04361	1.4
226.06378	13.6
227.03523	3.1
227.06738	1.1
239.03528	2.6
254.05879	0.4
255.03006	19.7
256.03339	2.3
270.05368	3.9
276.09671	0.6
282.01733	0.9
282.99411	0.7
283.02502	12.5
283.05594	0.8
284.02878	1.4
286.81259	0.5
297.04074	1.4
298.04849	72.0
299.05170	8.9
304.63901	0.4
306.78326	0.4
313.07202	100.0
314.07568	11.3
393.02875	5.2
394.03555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0292
Annotation	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Peak:m/z	Relative Intensity
50.29606	0.5
57.40094	0.4
59.01122	0.5
59.01387	7.8
64.98675	0.4
69.35777	1.0
69.36186	2.7
71.01360	1.7
76.35735	0.6
83.01422	0.6
85.02941	0.5
98.19888	0.9
99.00848	0.4
101.02439	1.2
113.02464	0.7
148.78664	0.4
161.04594	0.6
171.04472	0.8
175.00374	1.3
183.04454	1.8
199.04007	1.9
209.11848	4.9
211.04033	4.6
226.23900	0.4
227.03540	6.4
239.03586	2.1
255.00285	0.9
255.03004	26.9
256.03299	2.6
270.05359	2.6
283.02509	33.4
284.02780	3.6
298.04849	75.4
299.05161	8.8
313.07205	100.0
314.07556	12.6
314.11102	0.9
393.02927	11.8
394.03253	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	393.0288
Annotation	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Peak:m/z	Relative Intensity
59.01161	0.3
59.01382	3.0
71.01398	0.5
71.55119	0.5
83.05022	0.4
96.96027	0.4
112.19567	0.3
135.00865	0.4
135.48520	0.3
161.02473	1.1
162.03215	0.5
176.01106	0.4
196.64084	0.3
255.03001	18.3
256.03369	1.4
268.03699	0.7
269.04568	12.6
270.04877	1.3
281.00912	1.1
281.04288	0.3
283.02499	22.1
284.02838	2.4
284.74158	0.3
295.02444	0.6
296.03134	0.5
297.04059	32.3
298.04788	24.2
299.05170	2.1
311.05670	1.1
313.07193	100.0
314.07565	11.9
363.08844	0.4
393.02875	8.7
393.09875	1.0
393.23126	0.6
394.03122	1.2
416.77094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0291
Annotation	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Peak:m/z	Relative Intensity
59.01379	3.7
60.83455	0.6
61.98845	1.7
66.47221	0.5
70.55389	0.6
71.01374	0.8
71.50728	0.9
72.35963	0.6
72.73524	0.6
96.96039	2.1
101.02492	0.7
107.94639	0.5
111.00878	1.3
118.38032	0.6
121.02970	2.7
123.04644	0.7
129.02022	0.8
132.02190	0.6
133.03038	0.6
145.44908	0.6
167.05054	1.1
171.04576	0.9
177.12369	0.6
183.04465	1.1
199.04001	3.1
201.05583	1.1
211.04004	5.6
212.04410	0.8
213.01913	4.4
214.06378	0.9
227.03514	4.1
228.03987	0.8
239.03555	5.2
253.14647	0.8
255.00545	1.1
255.03015	10.8
255.47585	0.7
269.04514	0.8
281.00995	0.7
283.02484	31.7
284.02872	2.9
298.04843	86.4
299.05209	8.7
311.05350	0.7
313.07196	100.0
314.07535	12.0
393.02954	4.2
393.09741	2.3
393.23199	0.8
394.03094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52674	0.3
57.72047	0.4
58.67553	0.3
59.01382	3.6
59.53476	0.3
65.20067	0.3
69.23887	2.9
71.01392	0.3
96.40115	0.3
96.96047	0.4
108.02203	0.4
134.03748	0.5
136.01776	0.3
157.91965	0.3
161.02414	0.6
162.03160	0.3
191.17763	0.3
203.14697	0.3
213.78143	0.3
244.83603	0.3
255.03003	17.2
256.03348	1.7
268.03839	0.5
269.04587	12.5
270.04953	1.3
277.09888	0.6
281.00943	1.0
281.04498	0.6
283.02502	23.2
284.02798	2.6
296.03110	0.5
297.04065	33.5
298.04797	25.1
299.05182	2.2
311.05652	1.1
313.07199	100.0
314.07562	11.6
393.02881	8.7
393.09445	0.8
393.23187	0.5
394.03168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84576	0.6
59.01385	5.2
63.20252	0.7
66.40913	0.7
71.01407	1.8
73.02941	0.9
79.95748	1.7
80.35064	0.7
85.02898	0.7
88.68797	0.6
101.02415	1.0
113.02422	0.8
171.04518	0.8
183.04503	1.0
199.04109	1.1
211.04028	4.4
227.03525	7.0
239.03436	1.8
254.02286	1.1
255.03011	30.5
256.03384	2.8
283.02515	64.1
284.02814	5.7
298.04849	94.1
299.05173	9.6
313.07202	100.0
314.07541	10.3
393.02908	18.0
393.20233	1.1
394.03214	1.8
405.72147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67869	0.3
57.03453	0.5
58.78953	0.3
59.01387	8.1
60.01720	0.4
61.90705	0.3
61.98837	100.0
71.01395	2.1
71.05057	0.3
71.54348	0.3
72.99334	0.3
73.02968	0.5
81.03475	0.3
82.71436	0.3
83.01420	0.4
85.02979	0.7
87.00903	0.6
87.04510	0.4
89.02477	1.4
97.06604	0.3
99.00941	0.3
101.01890	0.3
101.02450	1.5
102.02878	0.3
111.93204	0.3
113.02457	1.0
117.28977	0.3
119.03532	0.8
123.04556	1.0
129.01964	0.4
137.02545	0.5
149.02518	0.5
149.06165	0.3
165.05586	0.4
167.03517	5.6
168.03871	0.3
194.05472	0.3
195.06670	1.9
201.11270	0.5
209.04643	0.6
213.11382	1.1
239.05827	0.3
260.12482	0.4
261.13449	0.4
268.11725	0.3
286.12918	0.6
303.06174	0.7
329.08920	0.7
330.12067	0.4
333.15686	0.5
353.15866	0.3
357.11905	0.3
392.16125	0.5
392.20532	0.4
393.13269	0.5
393.17685	1.7
393.22012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84637	2.9
59.01385	77.4
61.98837	100.0
62.29568	3.2
64.39374	2.9
70.68978	8.7
72.83303	2.8
83.05942	2.6
85.09871	2.6
86.72897	2.8
117.19318	2.7
152.95654	2.6
216.44653	3.3
277.45172	2.9
305.08191	8.8
305.70010	3.0
313.07086	4.0
321.07758	3.7
337.10883	17.0
349.11075	4.0
365.06268	4.8
365.10532	5.5
393.09995	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	391.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.8
59.01383	33.1
69.03467	2.7
69.83209	1.7
69.87529	8.9
71.05025	4.1
83.05032	3.3
85.06594	2.4
88.59068	1.7
95.05045	2.7
96.42059	2.1
97.02955	19.9
97.06554	3.8
109.06574	3.1
111.08200	2.8
119.44147	1.7
125.09720	4.0
136.93344	1.9
137.09747	5.1
163.11281	2.6
165.12839	6.9
167.10785	2.5
171.10274	7.0
175.62848	1.7
177.12834	11.9
178.13232	2.0
179.14424	3.1
189.76385	2.2
191.81749	1.9
193.08424	7.0
193.12273	3.7
195.13893	12.0
205.12393	3.1
211.13474	2.4
215.10629	2.9
221.15439	6.1
223.13400	5.9
233.11604	4.9
239.16490	2.3
245.11607	99.2
246.11885	8.4
247.20685	3.7
287.16229	3.0
291.19717	40.8
292.20050	2.7
305.12555	10.1
309.20731	100.0
310.21069	11.7
331.18860	12.8
391.20245	14.8
392.20419	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	391.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	46.1
69.70130	9.6
71.41182	1.6
82.91101	1.8
83.05021	1.9
86.86878	1.7
88.41644	1.7
92.89513	1.7
95.62520	1.8
96.96055	2.1
102.40163	1.9
109.06596	2.6
111.08168	42.6
116.03527	1.7
130.04173	3.2
147.11821	2.5
149.02437	2.0
151.11333	5.7
153.12917	1.7
165.12880	8.1
169.12373	11.0
188.95943	2.0
197.11847	100.0
198.12215	6.8
199.13417	2.7
207.10069	2.0
211.13443	14.1
212.13551	1.9
215.10603	4.2
219.10042	91.9
220.10355	6.7
233.11635	43.1
234.11928	3.0
249.13437	7.0
251.11324	11.0
263.20151	6.5
265.18161	1.9
279.10834	2.2
287.16296	3.7
291.19742	17.2
292.20047	1.9
293.12469	24.0
294.12640	2.3
299.64328	1.7
300.57321	2.1
309.20734	90.9
310.21042	9.4
313.17911	4.5
331.18912	33.7
332.19348	4.6
347.19940	2.1
373.18198	4.5
375.17816	5.6
391.19339	34.6
392.19730	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.3
57.03442	1.4
58.00595	1.4
59.01384	100.0
60.01711	1.4
60.99303	0.7
65.84811	0.6
65.85209	0.6
67.14420	0.6
69.54790	4.1
69.55193	1.7
71.01388	38.0
72.01748	1.4
72.99323	1.5
73.02950	21.2
74.03294	1.2
75.00873	1.2
82.90153	0.7
83.01395	6.4
85.02959	12.4
87.00887	10.1
87.01379	1.0
87.04536	1.4
89.02455	12.9
95.01408	1.9
97.02955	1.1
98.03725	0.7
99.00879	4.3
101.02455	27.3
102.02809	1.2
111.00922	1.6
113.02466	13.9
115.07691	0.8
119.03496	4.7
125.02448	1.7
127.11305	0.9
131.03488	0.8
133.01453	0.8
133.25690	0.7
140.31708	0.7
141.09230	16.7
143.03552	1.9
143.10797	6.0
145.05026	0.7
145.18575	0.7
149.04713	0.8
153.12892	1.6
159.03018	2.1
161.04567	13.3
167.10849	1.7
178.51973	0.7
179.05609	1.4
187.09685	0.9
187.13455	2.6
203.05612	1.1
229.08763	2.1
259.15628	0.9
259.19138	0.8
300.84167	0.7
301.16769	0.9
331.17554	7.3
332.18164	0.9
349.18701	25.8
349.22980	1.3
350.19025	3.7
390.55127	0.8
391.19586	1.9
391.27112	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35574	0.6
59.01385	100.0
60.01718	1.3
65.38477	0.6
69.36201	1.6
69.36605	4.0
71.01395	8.1
73.99298	0.5
74.76801	0.5
77.03963	0.6
86.47152	0.6
87.13963	0.6
101.02450	0.7
105.03500	1.4
115.00429	2.3
117.03506	0.9
133.01334	0.6
133.02956	5.0
134.03758	6.8
135.04517	1.2
137.02461	0.7
161.02470	1.4
162.03287	2.3
173.72585	0.6
177.01988	2.6
177.77335	0.5
178.02740	2.4
231.10274	6.1
275.09265	18.5
276.09637	1.8
287.00897	0.6
322.54547	0.6
324.13345	0.6
391.17548	0.6
391.23080	0.9
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
54.30538	0.9
54.40908	1.0
55.01882	2.8
57.03452	5.0
58.00597	2.6
59.01385	100.0
63.28435	1.0
68.47050	1.0
69.03476	1.3
69.19833	5.5
69.20253	4.0
71.01389	66.5
71.05031	1.2
72.99306	3.6
73.02956	12.4
75.00864	1.4
83.01388	6.2
85.02962	17.3
85.06614	1.0
86.82488	0.9
87.00878	3.8
87.04530	2.0
89.02451	60.7
89.60838	0.9
90.02777	1.8
95.01426	5.5
97.06609	1.6
98.20669	1.7
99.00868	5.6
99.04545	1.0
101.02457	40.5
102.02785	1.9
103.76684	0.9
111.00850	1.3
113.02460	24.1
114.02789	1.1
115.00396	8.0
119.03518	24.0
119.04884	1.2
125.02423	1.1
125.09684	1.1
131.03526	3.3
133.01451	13.7
143.03523	3.5
149.04575	1.8
153.09164	1.0
158.03654	2.1
159.03026	2.6
159.04515	3.7
161.04558	13.3
162.69424	1.0
163.52988	1.1
166.06386	1.3
167.14397	1.7
171.10329	4.0
173.06107	2.6
179.05620	9.1
181.08751	1.7
181.12372	1.6
183.10239	1.2
187.04047	1.7
187.07642	10.5
187.13353	1.6
202.06351	2.3
203.10808	2.5
211.13408	57.3
212.13695	4.5
213.09221	1.7
229.17984	1.3
231.10274	6.7
237.42964	1.0
243.12437	3.0
243.15993	1.7
275.09296	27.5
276.09589	3.0
349.18826	1.4
373.25949	3.7
388.03986	0.9
391.19427	11.1
391.23309	10.1
391.27121	33.1
392.19754	1.3
392.27716	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	391.1919
Annotation	Flemiwallichin E
Peak:m/z	Relative Intensity
50.09235	0.3
50.15313	0.3
51.43928	0.3
59.01393	0.4
70.92146	0.7
78.86150	0.3
93.03484	1.8
106.04277	0.9
119.05039	100.0
120.05366	4.3
121.02942	0.5
130.04257	3.6
130.23930	0.3
143.05023	1.8
144.05780	0.5
145.03006	0.4
145.06593	2.9
149.02438	0.4
150.03200	0.6
157.06598	1.7
158.07362	0.9
159.04477	0.7
159.08180	2.2
160.05307	0.4
161.02441	1.0
161.06117	0.5
162.03233	0.4
171.08134	0.7
173.05971	0.4
187.04030	1.2
198.28246	0.3
201.05597	0.7
220.01450	0.3
225.12910	0.4
227.14432	1.9
269.05405	0.4
271.13431	20.6
272.13730	1.9
289.14478	9.6
290.14819	0.6
391.19171	49.7
392.19525	9.2
392.24695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.8
57.03456	1.8
58.00602	0.7
59.01384	100.0
60.01716	1.6
69.03452	0.6
69.46810	3.5
71.01386	25.6
72.99312	1.2
73.02950	9.0
75.00866	0.8
83.01384	3.4
85.02959	10.6
86.68204	0.6
87.00903	1.2
89.02454	9.1
95.01393	1.7
96.51984	0.6
97.02955	0.8
98.19824	0.9
99.00911	2.0
101.02453	17.8
105.85930	0.7
111.00945	1.0
113.02461	12.5
115.00388	1.2
119.03498	3.6
123.00911	0.9
125.02463	1.1
125.32716	0.5
129.02034	0.5
133.01433	1.1
137.02501	1.8
139.11331	4.9
143.03522	2.1
143.10806	1.4
151.03947	0.6
158.03732	0.8
159.03040	2.2
159.04506	1.1
161.04579	9.1
163.11392	0.6
166.99927	1.7
168.00702	1.8
173.06100	0.9
181.12427	1.8
183.10284	6.2
187.07672	3.1
187.13411	1.0
197.11743	0.6
211.13440	1.0
225.11374	1.8
229.08749	1.4
229.18092	0.7
231.10336	1.7
243.12373	14.9
243.16075	0.8
244.12772	1.1
275.09286	7.7
276.09662	1.0
331.17581	4.8
332.07794	0.6
349.18692	16.1
350.19159	1.8
373.18945	1.4
391.15515	4.7
391.19983	1.1
391.22757	3.0
391.27609	5.9
392.10220	0.7
392.16098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.192
Annotation	Vismin
Peak:m/z	Relative Intensity
59.01372	2.4
70.84364	2.0
70.84717	1.4
78.07359	1.0
84.00998	0.9
103.87216	1.0
107.05015	3.3
121.02937	1.5
122.03783	1.6
134.03793	1.5
135.04536	7.0
137.54814	1.0
147.04597	2.0
150.18858	1.0
161.02495	1.1
173.06163	1.5
175.11320	1.5
213.09207	3.6
225.09238	21.1
226.09949	6.9
237.09196	11.2
238.09978	5.2
263.10849	3.9
277.12360	4.2
278.13062	1.5
345.18735	2.3
347.20178	16.2
348.20535	2.8
373.18042	8.2
391.19189	100.0
392.19464	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	391.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43073	0.6
59.01372	1.8
63.31362	0.5
65.00324	1.1
67.02536	0.6
68.99821	1.3
70.55634	1.2
74.98846	0.6
79.05529	0.7
83.05044	3.0
86.49056	0.6
107.05013	1.3
108.40004	0.6
109.09290	0.6
119.05017	4.8
121.02931	0.9
123.08176	4.5
127.05539	1.1
135.00873	1.1
135.04529	1.8
136.01686	3.9
141.07149	0.9
145.04358	0.5
153.07069	1.5
157.06610	1.4
159.04518	2.2
161.35674	0.7
163.00404	2.2
164.01184	2.0
169.06618	5.0
170.07431	3.5
171.04559	0.7
173.02461	1.0
173.06079	1.6
176.04793	2.5
181.06677	0.8
183.08116	1.7
185.06035	1.6
187.04036	1.3
195.08194	1.9
197.13300	3.6
201.05560	1.3
202.06363	0.7
203.03362	0.7
204.04312	1.6
213.05495	0.8
213.09230	0.6
223.07683	8.1
223.11107	3.5
224.08133	0.9
225.05693	0.9
225.09247	3.1
225.12827	5.3
237.09247	2.0
237.12917	1.1
238.09984	0.8
238.13664	6.1
251.07062	1.1
251.14357	0.7
259.11316	4.3
260.12021	1.0
261.12668	0.9
263.10803	1.5
267.06683	7.2
267.09799	1.1
270.12637	4.8
271.13309	0.7
275.10727	1.6
276.11493	0.6
277.12283	1.4
279.06592	1.5
292.11008	2.6
303.10318	1.7
303.17532	6.2
304.18149	0.7
307.09656	1.8
308.10501	0.7
329.19046	5.0
330.19431	0.8
337.84308	0.6
345.18118	0.6
347.20193	4.6
348.20465	0.8
373.18103	100.0
374.18393	14.5
391.15427	19.6
391.19318	15.9
392.15317	3.1
392.19736	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49919	0.5
65.00333	1.1
68.99835	2.5
70.84735	1.0
70.85107	0.8
71.01392	0.6
71.64407	0.4
83.01392	0.8
95.01416	0.8
104.94515	0.4
110.00079	0.6
123.12640	0.4
125.72070	0.3
135.00829	0.7
136.01653	1.3
137.99596	0.4
139.00404	1.5
145.06607	0.6
161.06133	1.0
163.00377	1.9
163.32382	0.4
164.01097	0.7
169.86763	0.4
171.04512	1.0
173.06068	0.4
175.04007	1.4
176.01192	1.0
177.12860	0.7
180.12288	0.4
189.05589	3.0
190.06342	2.9
201.12791	1.1
203.03511	1.4
207.56639	0.5
217.05043	1.6
218.05858	4.6
219.13818	0.8
231.06602	0.8
243.13945	0.6
267.06641	7.2
268.07104	0.9
279.03827	0.5
279.06644	2.1
279.09677	0.5
280.07162	0.6
287.12936	2.4
293.08154	0.5
307.09769	1.3
349.17841	0.6
377.03036	0.4
391.19180	100.0
392.19543	18.4
392.24725	0.9
400.49658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1917
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
53.98114	0.2
71.01682	0.4
84.29571	0.2
93.03467	1.1
96.38039	0.2
106.04257	0.6
108.02163	0.4
119.05038	100.0
120.05374	4.8
121.02984	0.5
130.04245	2.3
136.01680	0.3
143.05037	2.0
144.05780	0.6
145.02989	0.7
145.06606	2.9
145.29903	0.2
148.01662	0.4
149.02505	0.4
150.03246	0.4
157.06602	1.6
158.07384	0.5
159.04529	1.1
159.08185	2.5
161.02446	0.9
161.06078	0.4
162.03214	0.4
171.08147	0.6
173.06154	0.5
174.06886	0.3
187.04022	2.5
190.06406	0.7
201.05656	1.2
202.06387	0.9
223.07654	0.3
224.08322	0.2
227.14462	2.6
228.14864	0.3
231.03566	0.2
254.05956	0.6
267.06607	1.0
269.11920	0.3
271.13412	21.2
272.13678	2.0
279.06598	0.3
285.15039	0.3
289.14465	9.1
290.14777	0.7
314.98883	0.2
347.20218	0.5
373.18323	0.3
391.19171	52.2
392.19528	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	391.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65039	0.5
59.01373	0.8
62.99586	0.5
93.03421	1.7
106.04216	0.6
106.69170	0.5
107.05032	8.8
115.05589	0.5
117.03469	0.5
119.05047	2.6
121.02901	1.1
122.03690	0.6
134.03716	2.2
135.04533	16.0
137.02467	0.7
147.04532	0.8
148.01665	0.7
149.02409	2.1
153.02040	0.5
157.06517	1.7
161.01271	0.5
161.02449	2.3
169.06544	0.9
169.10202	0.5
171.08099	1.6
173.02483	0.6
173.06145	2.4
173.09686	1.4
175.07558	0.5
183.08179	0.8
184.37563	0.4
189.32857	0.5
195.08157	1.9
197.09709	0.5
201.05603	3.1
207.08073	0.8
208.08846	0.9
209.09689	0.5
213.09264	3.8
215.07079	0.6
223.07683	1.2
223.11238	0.9
225.09233	22.5
225.12788	1.0
226.09875	6.8
227.10277	0.6
235.07448	0.5
237.09207	12.4
238.09795	2.2
238.13158	0.4
239.10724	1.2
247.11409	0.7
249.09216	0.6
251.07133	5.2
252.07750	1.7
253.08563	0.7
253.12367	1.1
263.07111	3.7
263.10782	3.4
264.07486	0.7
265.08707	0.6
265.12320	1.9
267.10324	0.8
270.12750	0.9
277.12317	1.0
281.08279	2.4
291.10291	6.2
292.11047	5.1
293.11423	0.6
303.17523	3.9
304.17935	0.7
310.12216	0.9
313.15781	0.7
322.37424	0.5
328.17874	0.5
329.19080	2.2
345.18558	2.5
347.20221	9.5
348.20642	1.4
373.18100	63.5
374.18445	11.0
391.19177	100.0
392.19476	15.6
392.27444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85841	1.8
76.55585	0.8
98.07188	0.8
145.60281	0.8
169.06567	0.9
177.12883	2.3
179.08754	5.1
195.08255	0.9
221.06046	1.0
223.07657	32.8
224.08226	6.8
225.09096	2.9
227.07219	1.0
233.06064	1.0
235.07593	3.4
237.09183	2.4
245.09785	1.0
259.11276	1.3
261.09213	1.0
262.06235	1.3
263.07202	2.1
263.10757	1.7
263.18579	0.7
264.07938	4.9
285.09259	1.1
303.10284	9.0
304.11069	8.7
305.11609	1.5
318.67609	0.8
329.19177	1.0
345.18536	1.6
347.20181	38.3
348.20593	7.3
355.17142	1.1
373.13281	1.4
373.18130	48.5
374.18427	11.0
391.19196	100.0
392.19540	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	391.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26267	0.4
55.31159	0.4
56.11333	0.4
59.01388	5.0
67.57098	0.3
70.55702	1.2
75.00884	0.4
93.03460	0.5
95.01392	0.9
101.02459	0.4
107.05096	0.4
108.02185	1.1
119.05040	20.0
120.05387	1.1
121.02990	0.7
122.03722	0.5
123.00915	0.7
133.02943	0.4
136.01675	7.7
143.05031	0.8
145.02966	17.4
146.03325	0.7
147.04558	0.5
159.04535	1.9
159.08157	1.2
159.43190	0.4
161.02534	0.5
175.04007	2.0
176.04845	2.3
187.04018	8.1
188.04802	10.5
189.05217	0.5
201.05569	0.7
220.03816	1.1
223.07675	1.0
225.09126	0.9
227.14371	0.5
231.10263	0.7
251.07167	3.2
252.07846	1.6
263.07159	12.0
264.07471	1.6
271.13406	3.1
284.06839	0.7
289.14471	3.5
290.14920	0.5
291.10349	0.9
292.11093	3.8
293.11780	0.6
333.15063	0.9
347.20319	1.0
349.21707	1.0
373.18082	1.5
391.19162	100.0
392.19461	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	391.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98385	0.4
55.93306	0.4
59.01390	5.4
61.30391	0.5
67.01869	0.5
69.57335	2.0
69.57758	1.2
76.11653	0.5
96.96019	0.7
98.20639	0.8
107.05003	0.6
119.05042	8.2
135.04584	0.6
143.05032	0.5
145.02951	0.5
146.96939	0.4
147.73726	0.5
157.06540	0.5
159.04553	0.7
161.02464	1.9
167.08620	0.5
169.06606	1.0
173.02415	0.5
173.06033	0.6
177.12886	0.9
179.08699	0.8
181.14771	0.4
183.08185	0.7
187.07695	0.7
188.08467	0.6
209.06053	0.9
211.07718	2.2
212.08249	0.8
221.06113	1.1
223.07668	17.2
224.08179	3.2
225.07291	0.4
225.09117	2.5
226.09695	0.6
235.07631	6.4
236.08328	0.6
237.09222	1.3
245.09801	1.6
246.10301	0.5
249.09196	0.7
251.07158	1.4
253.08617	1.1
256.07498	0.9
259.11298	0.9
261.05283	0.5
261.09256	0.7
263.07248	1.0
263.10785	4.1
264.07864	1.5
264.11560	1.0
267.06644	5.3
268.06863	0.8
271.13382	1.4
275.10965	0.5
277.12354	4.6
278.13000	1.2
279.06665	3.3
285.09311	0.7
285.14975	1.1
286.09811	0.5
289.08780	0.6
289.14462	1.0
291.10526	0.5
303.10306	4.7
304.11053	3.8
305.11996	0.7
307.09851	0.8
308.93204	0.5
329.19223	1.0
345.18610	1.0
347.20178	15.1
348.20483	2.1
373.18112	8.3
374.18448	1.1
391.19180	100.0
392.19519	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	391.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51980	0.1
54.03138	0.2
57.03454	0.2
57.18780	0.1
59.01389	1.4
63.80053	0.2
68.99823	0.2
71.55063	0.2
83.05008	0.6
93.03431	0.2
95.01402	0.5
106.04258	0.3
107.05020	0.6
108.02175	1.0
109.02971	0.2
119.05004	0.8
121.02953	0.6
121.06681	0.2
122.03738	0.4
123.00890	0.6
130.04210	0.2
133.02974	0.2
134.03745	0.3
135.00899	0.2
135.04526	0.7
136.01672	9.1
137.01996	0.3
143.04959	0.8
145.02965	4.7
145.06609	0.5
147.04486	0.2
148.01753	0.2
149.02466	0.2
157.06560	0.5
159.04541	1.2
159.08051	0.2
161.02443	1.7
162.03123	0.2
163.00392	0.2
169.06604	0.2
171.08183	0.5
173.06100	0.3
173.09673	0.4
174.03200	0.3
175.03996	0.7
177.05661	0.2
183.08176	0.2
185.09633	0.2
187.04025	2.5
187.07689	0.3
187.35313	0.2
188.04823	1.8
189.05455	0.2
191.10745	0.3
195.08202	0.3
199.07648	0.3
201.05576	0.7
207.08176	0.4
209.09692	0.5
210.06796	0.3
211.07574	0.6
213.09218	0.2
215.07024	0.3
216.07855	0.2
219.08456	0.2
223.07690	1.3
224.08334	0.4
225.05768	0.2
225.09200	0.9
226.09779	0.4
229.08821	0.2
234.12312	0.2
235.07700	0.4
237.05630	0.5
238.06323	0.2
239.07079	0.3
243.13889	0.6
249.09183	0.3
250.10028	0.2
251.07103	3.8
251.14433	0.2
252.07852	2.4
253.08417	0.3
255.10028	0.2
261.12576	0.2
261.15131	0.4
263.07135	4.6
264.07690	0.8
265.08670	1.2
277.08704	0.2
277.12509	0.3
279.13968	1.1
280.14041	0.2
284.06900	1.9
285.07358	0.2
287.12958	2.2
288.13394	0.3
291.10315	1.6
292.10892	0.5
293.11630	0.3
300.13675	0.5
305.11700	0.5
307.13376	0.3
319.13400	0.6
320.13626	0.2
321.15036	1.1
347.20349	1.3
349.18112	1.4
350.18387	0.3
359.16583	0.3
373.18011	0.8
378.75681	0.2
391.19162	100.0
392.19482	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	391.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	79.8
59.70097	7.6
61.98837	100.0
63.52951	7.4
71.54909	14.4
81.03483	12.1
83.05033	19.3
87.00513	9.6
88.39577	7.8
96.96011	12.8
99.94161	8.0
186.38637	9.1
187.07652	10.4
207.10243	11.0
271.84781	8.0
293.15491	9.5
311.16565	9.7
328.80899	8.1
355.15552	42.5
356.15842	9.6
391.19238	33.0
391.29703	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1554
Annotation	Dicitrinin C
Peak:m/z	Relative Intensity
57.03447	1.1
59.01379	9.3
65.00330	1.2
65.03973	1.1
68.99820	9.0
70.55807	2.8
75.00880	3.9
79.05547	1.1
79.32874	0.8
80.96545	1.0
83.05030	14.6
93.03469	10.7
93.04077	1.1
95.01399	1.1
95.05045	3.3
98.19967	1.0
105.03488	1.2
107.01399	2.9
107.05037	1.9
108.02175	2.1
109.02950	1.2
117.03466	4.9
119.01393	0.9
119.05048	3.0
123.08179	19.9
135.00890	5.6
135.04518	2.2
136.01680	18.7
137.02234	0.8
147.04477	1.8
157.06641	1.1
159.04507	3.1
161.02444	4.8
163.00407	13.8
164.01186	6.3
169.06584	1.2
171.04471	2.7
171.08212	1.1
173.06087	2.2
173.09756	1.4
175.00392	1.8
175.04027	5.0
176.04797	12.5
177.01950	1.8
189.01956	1.4
189.05591	1.2
195.04559	1.5
203.03590	3.1
204.04280	7.2
205.04739	1.3
211.07584	2.7
212.08365	1.1
213.09157	1.8
221.09700	1.4
223.07683	4.5
225.05573	2.7
225.09152	4.7
226.10075	1.0
237.09291	1.9
238.10120	1.0
239.03484	5.2
251.07146	23.5
252.07553	3.4
253.08525	1.5
254.05896	2.3
255.06572	2.0
263.07291	1.4
263.10864	2.2
263.14377	1.0
265.08722	18.8
266.08994	2.0
267.06619	26.5
268.07065	4.2
277.15814	1.1
279.06714	10.0
279.13776	1.7
280.11115	1.8
281.08304	1.9
289.08270	1.2
293.21283	10.5
294.21484	1.3
304.11160	1.1
307.09775	10.0
308.10333	6.2
309.20779	1.8
321.11084	1.4
343.06857	1.1
347.20261	13.6
348.20374	2.1
354.09982	12.6
355.10352	1.3
373.18164	8.6
374.18494	1.5
391.15433	100.0
391.19302	54.2
391.28574	6.0
392.15710	13.4
392.19632	11.7
392.28360	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	391.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94677	2.2
53.65241	2.1
57.03441	4.6
59.01384	75.4
61.98839	3.0
64.76559	2.3
69.38124	2.7
71.00584	4.4
71.01384	18.6
72.99295	3.3
73.02967	14.7
75.00879	2.4
77.18631	2.0
80.05039	3.0
80.58378	2.3
83.13839	2.3
85.02959	7.9
87.78526	2.7
89.02442	11.1
92.05084	2.8
101.02435	10.9
104.49693	2.2
111.00768	2.6
113.02456	7.3
116.05099	2.9
118.06602	3.1
119.03499	4.9
122.06133	23.4
123.04551	3.2
124.03992	3.6
124.07668	5.4
134.06105	9.5
136.07681	8.7
136.14615	2.8
138.05580	3.4
143.03543	2.3
146.06116	7.8
148.04047	12.2
149.04500	2.3
150.05597	17.0
152.07173	5.0
160.04048	29.0
161.04741	10.2
162.05608	9.2
164.07104	3.2
169.08676	3.5
173.04779	2.9
174.05539	2.9
175.04004	3.2
178.05099	16.6
191.03584	3.2
191.05844	2.8
193.05125	5.9
200.07130	2.4
201.07922	2.7
203.03506	8.1
212.10855	3.7
213.07935	2.8
218.05774	4.0
224.10872	16.6
225.10445	4.0
227.08228	4.5
228.08971	3.5
230.08209	3.4
236.92029	2.3
237.06671	7.7
238.07397	3.8
239.08200	3.0
240.08884	4.2
241.13446	5.1
242.11949	16.9
243.11330	21.6
251.09276	19.8
252.09065	31.1
253.09514	4.9
255.07692	3.2
255.11368	6.7
259.11954	15.6
260.12839	5.4
267.11401	100.0
268.11679	10.2
269.09256	5.6
270.10110	7.4
284.08008	7.9
285.12448	93.3
286.12778	7.6
293.09415	8.1
295.08209	9.1
296.08405	2.4
303.13501	15.9
311.10355	23.2
312.10760	2.8
329.07623	4.3
329.11441	70.2
330.11932	6.0
337.24545	2.3
347.12537	15.9
347.16681	3.9
349.14709	3.4
373.10385	33.5
374.10815	3.0
391.11487	31.7
391.16147	19.3
391.20261	2.2
392.11801	5.7
392.16360	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	391.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29313	0.7
56.30898	0.7
59.01385	100.0
59.16639	0.7
60.01709	1.5
71.01389	9.0
98.19930	1.8
101.02486	0.9
105.03506	1.3
108.35287	0.7
109.01226	0.8
109.02938	1.2
113.02499	0.9
115.00385	4.7
117.03500	0.9
117.91026	0.8
123.04497	0.7
133.01445	4.4
133.02971	4.0
134.03760	7.0
135.04553	2.4
138.03296	0.7
140.01236	2.1
141.01996	0.9
153.01984	1.8
155.03513	1.8
162.03270	2.8
168.04361	0.9
177.02007	1.5
178.02728	1.7
179.03586	1.0
229.08688	0.9
231.10301	5.5
275.09283	17.5
275.11969	1.0
276.09628	1.2
298.04980	3.3
299.05603	3.5
316.06165	0.9
331.08215	7.0
332.08786	1.7
374.77908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
62.56495	2.7
66.13589	2.6
69.71711	13.3
79.95673	2.5
103.15793	2.4
124.80582	3.0
148.35439	2.4
263.07361	3.3
350.92731	2.8
389.17502	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	389.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.31459	3.3
66.84901	3.4
69.81577	16.3
79.70255	3.3
87.48717	3.2
89.50919	3.4
98.19920	3.7
108.96075	3.5
147.02451	4.1
147.19615	3.8
175.11375	3.7
179.08759	4.4
195.72597	3.7
211.07831	4.7
223.07671	40.3
224.08304	5.5
235.07729	17.3
262.25244	3.8
275.10742	8.6
345.18811	21.8
374.09610	3.6
389.17645	89.9
390.17899	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	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28862	3.2
59.01389	18.1
60.87323	2.9
61.98834	100.0
63.82312	2.9
69.17036	35.2
71.01369	4.3
82.32497	3.3
85.33107	3.3
108.02194	12.7
109.02531	4.1
123.04537	7.7
129.08020	3.2
161.02397	4.2
162.03137	3.3
167.03502	20.5
168.03877	9.8
200.03127	3.3
225.89507	3.5
234.27419	3.8
281.00909	12.6
296.03262	10.1
311.05521	19.2
407.44922	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	391.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55667	0.4
59.01409	1.0
69.29897	2.3
69.30321	1.2
71.01389	4.5
75.85393	0.4
115.00428	1.3
117.03456	2.2
120.46050	0.4
133.01460	0.5
133.03035	1.4
134.03784	4.8
135.04562	6.6
137.02478	0.6
161.02460	8.6
161.03745	0.5
162.03271	2.2
173.06137	0.7
176.04840	0.9
177.01994	1.4
178.02722	2.8
195.04570	1.4
209.32832	0.4
211.04054	0.9
212.04913	0.6
215.03569	1.6
224.04832	2.1
231.10374	0.8
239.03510	5.7
240.04301	2.3
267.02966	3.4
268.03772	22.4
269.04260	2.0
275.09265	12.3
276.09616	1.1
295.02594	1.1
296.03275	76.9
297.03607	7.8
306.76907	0.5
311.05624	100.0
312.05975	11.6
361.07144	1.4
363.02652	0.4
376.09479	0.7
391.01312	10.6
391.11975	2.7
392.01605	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	389.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.7
57.30892	0.6
59.01387	8.3
61.98839	1.4
62.15182	0.5
65.00307	0.6
66.73148	0.6
70.87389	0.6
71.01385	1.6
71.54562	0.9
72.99329	1.0
73.02942	0.8
74.55249	0.6
79.62755	0.6
81.03490	0.9
83.05033	1.3
97.06602	2.1
100.07688	0.7
101.02423	0.8
110.00113	9.5
111.08150	1.1
113.02449	0.6
125.02484	1.4
137.31177	0.6
137.99617	6.2
139.00308	1.1
151.11244	2.2
153.01949	100.0
154.02293	3.4
165.12889	2.4
168.04289	29.7
169.04771	2.0
175.01521	3.4
179.10817	1.3
181.12372	4.0
191.10762	0.9
191.14418	0.8
209.11829	10.8
210.12262	1.2
211.13422	0.7
219.06726	0.6
223.07678	1.6
233.11658	1.5
245.19107	2.4
248.10506	2.2
267.06497	0.9
269.08572	0.6
274.59021	0.6
289.18137	1.7
305.17392	1.3
307.19089	4.1
308.19684	0.7
310.86404	0.7
317.17261	1.1
329.17371	1.7
372.22983	1.9
389.17905	3.2
389.23425	1.5
390.18927	1.5
390.24030	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	389.2185
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
53.11391	0.4
55.01881	3.7
57.03456	5.2
58.00592	3.6
59.01384	100.0
60.01715	1.2
69.03474	0.9
69.23382	4.8
70.05604	0.5
71.01387	68.5
72.01759	0.8
72.99311	3.9
73.02950	12.5
74.03301	0.7
75.00877	0.8
81.03477	0.8
83.01388	6.2
83.05013	0.6
84.02178	0.6
85.02959	19.1
86.03262	0.4
87.00874	4.1
89.02453	61.7
90.02780	1.5
95.01401	5.6
97.02965	1.6
99.00909	3.9
99.04529	0.5
101.02451	51.5
102.02754	0.8
106.58080	0.5
107.57851	0.5
111.08144	0.9
113.02460	32.1
114.02745	0.5
115.08809	0.5
117.52627	0.5
119.03511	26.5
125.02423	1.5
129.01970	1.1
131.03496	3.2
143.03488	5.6
145.06245	1.4
149.04506	1.4
159.03011	4.1
161.04565	25.5
162.04916	0.9
165.04091	0.6
179.05630	7.6
185.11844	0.6
197.11821	3.1
205.08574	0.6
209.11809	1.2
209.15495	1.1
227.16566	6.5
241.10828	3.3
257.13953	0.7
329.15897	0.7
340.49487	0.6
389.14072	0.9
389.21722	19.6
389.25702	2.4
390.22031	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	389.2182
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01881	4.4
57.03456	4.1
58.00599	3.9
59.01386	100.0
60.01723	1.8
69.03464	1.0
69.46069	0.4
69.52737	1.6
69.53165	1.6
71.01389	75.3
72.01723	1.7
72.99325	4.1
73.02955	13.3
75.00884	1.5
83.01398	6.4
84.02176	0.6
85.02962	22.9
86.03320	0.5
87.00886	3.6
89.02454	62.6
90.02796	0.8
93.14507	0.4
95.01395	5.9
97.02943	1.1
99.00890	5.7
99.92596	1.0
100.93401	0.5
101.02452	59.4
102.02808	1.4
111.00858	1.1
113.02463	33.3
114.02790	1.1
115.92099	2.5
116.92874	6.9
117.92902	0.5
119.03515	30.2
120.03884	0.5
123.08137	0.5
125.02453	1.2
125.32320	0.4
129.01944	0.9
131.03554	2.6
143.03535	5.2
149.04584	2.1
159.03012	3.9
161.04572	23.4
162.04903	0.8
165.04022	1.5
165.12921	0.5
179.05634	6.3
197.11800	1.7
205.03571	0.6
209.15462	1.8
227.16565	12.2
228.16904	0.9
241.10870	1.6
347.17575	0.6
369.93033	0.5
389.13901	1.3
389.21860	44.4
390.22214	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	389.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	4.1
55.30720	0.4
57.03453	4.7
58.00597	3.4
59.01384	100.0
60.01721	1.8
60.35949	0.5
62.81913	0.5
68.58064	0.5
69.03451	0.9
69.63023	3.1
71.01387	84.4
72.01727	1.8
72.99299	4.6
73.02950	18.5
75.00893	1.5
78.22283	0.5
81.03461	0.7
83.01389	9.8
85.02956	33.8
86.03301	0.7
87.00884	4.9
89.02451	50.6
90.02773	1.0
95.01392	7.2
97.02975	2.0
98.19904	0.9
99.00893	7.9
99.04480	0.4
101.02450	66.1
102.02798	0.9
111.00900	1.6
113.02459	40.2
114.02845	0.6
119.03511	20.1
120.03877	0.6
125.02441	1.4
129.01956	1.8
131.03545	2.3
143.03517	5.0
149.04582	1.4
159.02988	7.4
161.04565	38.4
162.04881	1.5
167.10793	0.7
179.05646	3.8
205.03592	0.6
209.15495	0.5
227.16624	0.8
267.50555	0.5
389.21704	53.0
390.22043	6.3
390.26407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15083	0.3
55.01882	4.0
56.16621	0.4
57.03450	3.0
58.00606	3.7
59.01385	100.0
60.01730	1.3
69.03454	0.5
69.31937	3.6
71.01389	75.3
72.01377	0.5
72.01734	1.9
72.99321	4.0
73.02953	10.8
73.03362	0.8
75.00895	0.9
83.01394	6.4
85.02960	21.6
86.03274	0.7
87.00899	3.3
89.02455	68.1
90.02801	1.4
95.01402	5.8
97.02952	0.9
98.19953	1.0
99.00896	5.0
99.04533	0.5
100.54983	0.4
101.02455	48.5
102.02790	1.2
108.55770	0.4
111.00863	0.5
113.02468	31.4
114.02772	0.5
119.03519	29.6
120.03844	0.7
122.06139	0.7
125.02476	1.1
128.41841	0.5
129.01950	0.7
131.03526	2.7
143.03511	6.4
149.02554	0.5
149.04561	2.3
159.03000	3.8
161.04576	26.8
162.04953	1.1
165.05679	0.5
166.05156	0.5
179.05620	9.0
193.05058	0.6
197.11871	0.5
209.15494	1.4
227.16560	8.4
228.16895	0.7
389.17615	0.9
389.21799	22.7
390.22064	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	389.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.1
57.03451	4.4
58.00599	3.2
58.33902	0.4
59.01383	100.0
60.01716	1.7
67.01888	0.5
68.99822	0.6
69.03455	0.9
71.01386	87.8
72.01726	1.7
72.99309	4.0
73.02948	24.1
75.00887	0.8
81.03460	0.9
83.01398	10.6
84.02189	0.5
85.02957	32.5
86.03298	1.1
87.00868	5.4
89.02450	50.6
89.87528	0.4
90.02773	1.0
95.01398	6.8
95.23144	0.4
96.01784	0.5
97.02956	1.4
99.00881	8.7
101.02448	71.7
102.02792	1.3
111.00906	1.4
112.69495	0.4
113.02457	40.4
114.02770	1.2
119.03509	22.2
120.03899	0.5
125.02444	2.1
129.01952	2.1
131.03517	2.3
143.03516	5.3
149.04520	2.3
159.03000	9.9
161.04564	39.7
162.04901	1.6
167.10718	0.4
179.05609	3.6
205.03484	0.5
209.15514	0.6
227.16542	0.7
229.07872	0.4
239.10373	0.4
297.17026	0.4
347.17108	0.5
359.26385	0.4
389.21799	61.7
390.22110	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	389.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08642	2.7
51.04025	3.2
57.03438	7.0
59.01381	60.7
71.01381	6.0
71.54843	3.8
80.02638	3.6
81.03448	5.7
82.08443	2.8
83.01389	13.5
83.05019	5.6
95.01380	3.7
95.05014	5.1
97.02961	3.5
97.06579	12.3
101.99766	3.1
109.06615	4.2
119.05024	12.4
121.06623	3.4
123.04523	12.6
123.08145	6.2
125.09719	26.1
135.08234	4.8
137.09727	8.4
142.72008	3.1
163.11292	22.9
163.88751	3.0
165.12854	5.5
165.18735	4.0
175.07372	5.3
185.11823	19.4
191.10788	3.7
191.14456	19.7
207.10130	10.9
208.10458	3.4
209.11844	92.0
210.12169	4.5
225.11322	6.6
231.10017	59.8
232.10242	5.2
233.11638	5.6
245.19098	33.8
246.19464	4.7
273.29941	3.1
286.43631	3.3
289.18106	100.0
290.18314	13.6
291.12048	3.9
291.19803	5.4
307.19150	61.9
308.19412	7.9
311.16595	3.2
317.17258	6.9
325.09174	3.1
329.17523	16.4
389.17188	16.7
390.18250	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	389.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.5
57.03450	0.7
58.00598	1.6
59.01385	100.0
60.01723	1.3
61.92666	0.6
69.03476	1.6
71.01389	39.8
71.91006	0.6
72.01734	0.8
72.99319	1.4
73.02953	76.9
74.03282	0.8
81.03461	0.7
83.01398	18.9
85.02956	3.5
89.01937	0.7
89.02451	8.5
89.02950	0.9
95.01408	0.7
97.02948	1.3
98.19911	1.0
99.00870	1.1
101.02452	52.6
102.02800	2.1
113.02463	11.6
119.03483	2.6
125.02423	2.2
131.03532	3.8
143.03525	3.9
149.04567	3.7
155.03520	2.7
161.04578	9.1
162.04822	0.8
167.10780	15.4
168.11047	0.8
201.64154	0.7
203.05495	0.8
211.14694	0.7
389.18143	2.8
389.25513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72213	1.4
55.01868	2.3
57.03461	2.4
58.00595	2.4
59.01385	100.0
60.01723	1.7
60.18414	1.3
71.01390	45.2
71.05007	1.7
71.55444	1.8
72.01736	2.0
72.99307	2.7
73.02950	72.6
83.01392	15.9
85.02947	9.7
87.00881	3.3
89.02458	17.7
95.01415	2.0
97.06589	2.1
99.00826	2.0
101.02451	55.9
104.05062	2.7
113.02451	16.2
119.03512	4.0
122.06150	2.5
125.02459	2.0
131.03496	4.4
134.13176	1.2
139.07608	1.6
143.03487	3.7
148.04060	4.3
149.04575	1.8
152.07126	2.1
155.03534	1.6
161.04532	11.4
165.04149	1.4
167.10762	23.9
168.11134	2.3
185.11821	6.8
208.56137	1.3
215.12920	4.4
217.88210	1.5
227.07175	2.1
241.14296	1.5
257.13950	1.7
313.11700	2.3
329.16113	4.3
343.85840	1.6
347.16992	14.0
347.23947	1.6
357.10977	4.1
371.24393	1.6
389.09158	1.3
389.18091	25.6
389.25589	30.9
390.18454	3.7
390.25824	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
54.18827	0.4
55.01870	1.0
57.03440	0.8
58.00588	1.9
59.01386	62.8
60.01717	1.0
60.99318	0.8
70.37968	0.8
70.38360	1.1
71.01388	24.9
72.99307	2.1
73.02946	2.3
76.56239	0.5
79.05522	0.6
83.01408	2.6
85.02966	6.8
87.00902	1.9
89.02452	20.4
90.02774	0.7
95.01414	2.2
96.95618	0.5
97.06612	0.7
99.00877	1.6
101.02457	14.2
102.02807	0.6
105.68964	0.5
113.02467	8.7
115.07675	0.6
119.03513	7.7
131.03558	0.7
147.11832	1.6
161.04526	1.1
162.03320	0.8
165.12857	0.6
177.05612	0.9
179.05617	0.7
186.30164	0.6
188.04843	0.7
191.10689	0.6
204.04344	0.6
205.05188	0.8
209.11833	10.8
210.12212	1.3
219.06628	1.6
227.12933	1.2
241.11093	0.8
291.09070	0.6
293.06726	1.5
295.10748	0.6
313.11948	1.0
353.08679	2.7
371.16907	1.1
371.77332	0.6
389.18198	100.0
390.18512	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.03448	1.7
58.00609	0.8
59.01386	86.3
60.01725	1.3
67.33040	0.6
69.03466	1.7
69.24046	1.2
69.24454	3.1
71.01391	18.8
72.99318	1.2
73.02950	4.9
74.02492	0.6
74.20615	0.5
83.01403	3.2
85.02968	7.7
86.03339	0.5
87.00880	2.2
89.02447	9.2
90.02760	0.6
95.01395	2.2
97.02956	0.8
97.06618	0.9
99.00886	2.7
101.02453	14.5
101.67078	0.6
113.02464	7.8
119.03495	4.3
122.06167	0.7
123.08105	0.6
125.02412	0.6
131.03563	0.6
143.03474	1.0
149.02446	0.8
149.04597	0.7
149.09679	1.0
158.28841	0.6
161.04579	2.2
162.03380	0.6
165.04103	0.7
167.10773	1.1
177.05606	0.8
208.00160	0.8
209.11781	2.5
217.08742	0.7
219.06665	1.0
227.12904	1.0
241.10748	1.4
257.10071	0.8
257.14145	1.1
295.10751	1.5
313.08331	0.9
313.11957	1.3
329.15988	1.6
334.92419	0.6
347.17212	1.0
353.08801	1.3
357.10959	1.3
371.06238	0.7
371.17081	1.2
389.18188	100.0
390.18518	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	389.1761
Annotation	Licoflavone B
Peak:m/z	Relative Intensity
59.96629	0.9
67.01915	1.6
69.27839	7.8
78.33508	0.7
90.09078	0.9
92.58500	0.8
95.87894	0.8
98.20817	1.2
119.08653	0.9
125.64330	0.9
131.59468	0.8
146.08495	0.9
169.06569	4.7
173.09689	2.0
179.08684	13.2
180.05756	1.8
180.09001	1.0
193.06573	1.4
196.08852	1.4
198.18094	1.0
208.05275	0.9
211.07701	4.3
213.05515	1.1
219.08099	1.5
221.06175	1.6
222.06723	1.3
223.07657	75.0
224.08185	11.7
234.06729	1.1
235.07623	19.9
236.08112	1.3
246.10406	1.8
247.07597	4.6
249.05540	3.3
250.06276	1.7
251.06960	1.5
260.77991	1.0
261.09219	5.1
262.03552	1.2
262.06229	1.2
262.09976	1.3
263.07092	2.6
263.10687	4.5
264.07785	1.3
265.08658	2.0
271.07727	1.6
273.09180	1.7
274.06592	1.1
275.07184	15.4
275.10428	1.4
276.07373	1.9
279.06677	2.0
289.08716	24.3
290.09387	11.1
294.08856	1.1
322.08420	4.6
327.17593	1.2
328.18332	1.0
343.17056	3.4
345.18570	21.6
346.18921	3.6
352.15225	0.9
353.15521	3.0
355.13412	1.7
356.14474	1.1
371.16519	70.9
372.16791	12.6
389.17587	100.0
390.17880	19.0
405.25696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1763
Annotation	Licoflavone B
Peak:m/z	Relative Intensity
59.01368	0.7
61.43547	0.4
62.07782	0.4
65.00330	2.2
68.99822	10.5
70.58555	1.1
81.52105	0.3
81.58353	0.4
83.01358	0.4
95.01392	1.0
104.02684	0.5
107.01391	2.8
108.02170	1.3
110.00101	0.6
112.17549	0.4
117.03493	0.7
121.02911	0.6
123.00879	1.0
126.89413	0.4
131.01416	0.7
131.05055	0.9
132.05838	1.0
133.03023	0.6
135.00894	4.0
136.01678	13.7
136.98788	0.5
137.02010	0.6
145.02959	1.0
147.04547	1.2
148.01773	0.8
148.05283	0.6
149.99579	1.2
151.00401	0.4
151.03391	0.3
159.04486	0.8
161.02440	3.4
163.00394	4.0
164.01155	7.2
171.04521	1.2
173.06084	1.3
175.00415	3.9
175.04008	8.4
175.11258	0.4
176.01128	1.2
176.04805	21.8
177.01950	0.8
177.05162	1.3
180.16133	0.3
189.01949	1.9
189.05577	1.8
190.02670	0.5
191.03487	0.5
201.02008	0.8
203.03522	3.2
204.04286	14.7
205.04659	1.6
217.05034	1.2
226.06468	0.7
237.05586	0.7
239.06932	0.4
240.07901	1.1
241.12352	0.5
251.07114	0.6
252.07964	0.6
254.05852	1.2
265.08804	0.5
267.06662	2.9
268.07404	2.2
279.06647	15.4
280.07556	1.8
280.11026	3.0
285.11295	1.0
288.48444	0.3
290.36194	0.4
293.08328	1.7
307.09769	1.8
308.10532	7.2
309.11038	0.9
340.09525	0.7
347.16321	0.4
389.17603	100.0
390.17950	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	389.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.6
71.01386	1.7
71.55267	1.4
114.26211	1.0
124.01598	1.5
133.86433	1.1
138.33961	1.2
139.48033	1.2
153.02002	1.9
159.28914	1.0
166.90306	1.0
183.02960	2.5
212.79945	1.2
223.07663	6.8
225.05714	1.1
235.07622	3.4
236.58865	1.1
257.09778	7.7
258.10385	3.0
259.11209	2.5
261.09003	2.6
262.06564	1.1
262.09534	1.2
263.07034	1.8
273.09341	6.5
274.09897	4.4
275.07098	3.0
275.10669	2.9
283.11322	2.7
289.08746	2.1
290.09491	3.4
301.08701	4.4
302.09430	4.4
304.16623	1.1
327.17361	6.3
328.17993	1.7
343.17291	2.0
345.18600	6.7
346.18869	1.9
353.15277	1.6
371.16541	100.0
372.16837	17.6
389.17551	21.2
390.17789	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	389.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15280	0.8
59.01385	3.5
71.01372	1.0
71.55088	0.9
96.96037	1.4
135.04486	0.8
165.01936	1.3
169.06631	1.1
183.03014	1.5
199.03928	0.9
201.05479	0.8
207.08165	1.1
211.07701	1.2
219.08264	0.8
223.07660	3.8
225.05652	0.9
234.06792	1.4
235.07680	2.3
243.08250	1.5
244.08963	1.7
247.07646	0.9
249.05548	2.2
250.06169	0.9
251.07124	3.3
257.09683	9.0
258.10352	3.1
259.07477	1.0
259.11212	2.7
261.09158	1.9
263.07172	3.4
265.08801	1.4
273.09198	7.0
274.10062	3.7
275.07166	2.3
275.10721	2.6
278.05823	0.9
283.11301	2.8
289.08707	2.5
290.09473	3.3
291.10004	1.3
297.12952	0.9
301.08679	3.8
301.11810	0.9
302.09464	2.1
309.12793	1.0
316.11142	0.8
319.13538	1.4
327.17599	5.0
343.17010	1.3
345.18503	4.0
348.68063	0.8
351.02652	0.9
355.13199	1.4
371.16537	100.0
372.16855	17.7
385.63953	1.0
389.17526	21.0
389.27222	1.0
390.17841	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	389.1761
Annotation	Licoflavone B
Peak:m/z	Relative Intensity
54.36763	0.6
59.01377	1.2
119.05058	2.2
120.83166	0.8
121.02991	0.8
124.88176	0.7
137.10995	0.7
137.12079	0.7
152.04413	0.8
169.06657	1.9
171.24300	0.7
175.11295	2.4
179.08629	2.7
191.08681	1.0
195.08092	1.5
196.08983	1.2
211.07626	5.9
221.05984	0.9
223.07649	43.5
224.08199	7.6
225.08835	0.9
235.07651	18.3
236.08130	2.7
237.09276	0.9
256.07355	1.3
257.09750	1.2
259.07541	1.0
259.10873	0.9
261.09219	3.0
262.09753	1.0
263.07239	1.3
275.10806	11.1
276.11154	1.2
277.12375	1.6
295.47974	0.9
327.17603	1.5
343.16934	2.7
345.18585	26.9
346.18979	4.9
371.16608	3.0
372.17020	1.2
389.17593	100.0
390.17960	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	389.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88325	0.4
59.01385	2.2
68.53394	0.4
70.55549	0.5
70.55878	0.9
71.01387	0.5
83.96098	0.4
89.02458	0.6
96.96004	0.4
117.03477	40.2
118.03774	2.4
130.04276	0.6
135.04539	0.5
145.02933	4.2
153.01959	0.4
157.03020	0.5
159.04538	0.5
161.02505	0.4
163.03972	0.4
221.06097	0.5
263.07324	0.7
265.05066	22.1
266.05643	4.1
267.06482	0.7
269.15494	0.6
271.13425	0.8
277.05042	9.1
278.05399	1.0
289.14441	1.1
291.06598	1.3
292.07208	0.5
298.04874	5.9
299.05322	1.2
303.10205	1.1
305.08154	2.8
320.10672	1.4
389.17596	100.0
390.17953	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	389.1763
Annotation	Licoflavone B
Peak:m/z	Relative Intensity
59.01378	1.4
71.18195	1.3
92.10907	0.8
106.36694	0.8
108.01340	0.8
113.90771	0.8
142.48378	0.8
172.05122	0.8
173.06104	1.1
193.06619	1.3
194.07353	3.9
202.47012	0.7
206.40723	0.8
221.06084	8.1
222.06900	4.6
223.07602	1.5
232.36534	1.0
233.06145	8.4
235.07549	1.2
237.47470	0.8
243.08153	4.6
245.09625	1.5
257.09705	7.6
258.10312	1.4
259.05341	0.8
259.07617	4.4
259.11295	5.3
261.05817	1.7
261.09216	3.5
263.07190	1.7
265.05075	3.9
266.05731	2.0
273.09167	2.1
274.09848	1.6
277.05072	5.9
287.07034	1.5
290.09738	1.1
291.06628	1.6
298.04816	1.3
301.08755	2.2
303.10220	1.6
305.08267	4.4
319.09814	1.1
327.17661	2.0
345.18610	8.6
346.18982	2.1
371.16559	85.2
372.16876	14.6
389.17618	100.0
390.17987	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	389.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58643	0.5
59.01384	3.0
62.12371	0.6
70.16757	1.2
70.17144	1.1
71.01390	1.1
73.02946	0.7
73.92079	0.5
80.02677	1.5
85.02930	0.5
87.24031	0.6
108.02182	37.4
109.02486	1.0
113.02455	0.6
121.02973	0.8
123.04534	22.5
124.04848	1.2
140.09967	0.6
152.01157	2.6
167.03506	100.0
168.03842	5.3
389.17865	0.5
389.25613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58474	0.6
59.01386	8.5
61.14893	0.6
61.38304	0.5
61.74989	0.6
61.98828	1.1
68.46031	0.7
69.47280	4.2
71.01387	1.7
80.02682	1.3
85.02965	0.9
86.14166	0.5
89.02447	1.3
89.35235	0.5
93.57294	0.6
101.02455	1.1
108.02185	43.1
109.02520	1.7
113.02454	0.7
123.04536	24.8
124.04871	1.2
128.99669	0.5
146.98091	0.5
152.01186	2.2
161.04512	0.7
167.03510	100.0
167.10770	1.7
168.03828	4.5
389.08899	0.8
389.16064	0.7
389.25247	1.2
409.53986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.161
Annotation	Flibanserin
Peak:m/z	Relative Intensity
59.01367	1.3
61.98838	2.9
69.75080	1.6
69.75492	0.8
71.01382	0.8
73.02951	0.5
85.02979	0.6
89.02447	0.7
93.03442	1.4
98.20692	0.6
101.02435	0.8
107.05042	8.7
108.02182	1.4
134.03802	0.8
135.04539	29.6
136.04845	1.2
145.02963	7.2
147.04584	1.1
151.04015	1.0
167.03485	1.6
171.47342	0.5
202.66319	0.5
211.07635	1.6
211.11383	0.6
212.08426	6.3
213.09016	0.9
221.09818	1.2
225.09230	5.6
226.10001	41.4
227.10641	10.1
235.07542	1.3
236.08446	4.0
237.08736	0.6
240.52277	0.5
241.12357	36.1
242.12688	3.9
251.10797	9.8
252.11194	1.7
254.09512	3.2
255.10176	0.7
257.11819	0.8
265.08600	0.8
267.06561	0.9
268.07144	0.9
269.11859	14.4
270.12128	1.9
271.09470	0.5
285.07712	1.0
313.10855	17.6
314.11151	1.8
325.16873	0.5
345.17010	1.6
389.16074	100.0
390.16391	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	389.1609
Annotation	Stilbostemin B 3'-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.33913	0.7
59.01385	8.4
61.98825	1.9
69.88713	3.8
71.01385	2.9
72.99308	2.3
83.05012	1.1
85.02951	1.8
87.04530	2.5
87.71392	0.7
89.02454	1.4
93.03468	4.3
96.77474	0.8
96.96038	0.9
101.02457	2.0
102.48799	0.9
107.05041	3.4
108.02187	14.8
123.04544	8.6
133.02968	1.7
134.14066	0.7
135.04546	11.7
136.97337	0.8
139.00386	1.3
140.15984	0.8
145.02953	1.9
151.04030	1.7
154.02818	1.0
161.04524	1.0
167.03516	29.1
168.03813	1.7
189.02197	0.8
211.07634	4.6
212.08432	19.4
213.08867	2.4
225.09149	1.8
226.09979	16.0
227.10783	41.2
228.11111	2.2
239.10728	2.6
241.08733	1.1
241.12354	18.5
241.14633	1.6
242.12708	2.3
251.10759	3.2
253.84247	0.9
254.09528	2.0
255.10228	1.8
257.11850	3.4
269.11874	9.0
270.12259	1.2
285.07813	1.5
313.10745	1.3
345.17035	3.6
350.61111	0.9
389.16089	100.0
390.16409	12.8
390.21338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01716	1.7
61.98861	0.8
71.01392	8.9
71.23522	1.6
71.54585	0.8
73.02944	2.2
73.81150	0.7
75.00878	16.1
83.01392	0.9
85.02953	3.4
85.42284	0.8
89.02436	2.8
92.31716	0.7
93.03471	1.0
99.00919	1.1
101.02451	4.1
113.02466	4.5
119.03475	0.9
121.02982	1.0
122.03737	2.1
125.02457	0.8
126.98837	0.8
137.02403	2.0
152.04800	17.4
154.02725	0.9
161.04552	4.6
167.07149	26.5
168.07443	1.4
237.03899	1.0
237.06198	17.3
238.06551	1.4
333.84698	0.9
345.73611	0.8
364.67828	0.8
375.03314	1.0
389.10010	1.7
389.14120	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	389.1459
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01878	4.5
57.03444	8.4
59.01387	88.6
61.98817	6.2
63.41201	2.0
70.71461	2.6
70.71811	5.3
71.01389	75.3
72.99297	6.5
73.02960	21.0
75.00873	4.4
78.30003	2.1
83.01393	13.4
85.02958	36.6
87.00906	9.9
89.02451	25.9
95.01379	5.6
99.00888	7.7
101.01800	4.1
101.02450	61.7
109.02973	4.5
111.00818	2.1
113.02466	27.1
119.03503	10.3
125.02403	3.7
131.03500	2.4
136.37337	1.8
137.02454	50.7
138.02986	2.9
140.07095	2.6
143.03476	2.5
144.84029	1.8
148.32137	2.0
152.03662	3.4
152.04808	21.9
153.05568	4.8
161.04581	11.2
167.07161	4.4
178.83240	1.8
179.03497	6.9
184.03746	5.7
193.05113	2.4
194.05829	6.0
197.04556	3.3
209.08202	6.4
212.06920	26.5
227.09268	81.9
228.09653	6.1
237.06403	2.4
257.10413	2.8
257.13846	3.0
303.15237	2.4
343.47272	2.4
345.15576	33.2
346.15973	3.6
389.14542	100.0
390.14886	9.6
392.23346	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	389.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73968	2.0
54.93118	1.7
56.90344	1.9
57.03444	6.0
59.01387	54.9
61.98829	4.9
63.07397	2.1
66.03529	2.1
66.95844	2.1
68.77789	2.0
69.03503	2.2
70.12061	7.3
71.01387	32.4
72.99319	5.2
73.02971	3.0
75.00883	32.6
83.01400	2.2
85.02962	23.0
87.00869	14.6
89.02453	19.6
97.03004	2.4
99.00885	7.1
101.02425	11.0
101.36519	2.0
109.45440	2.0
110.06119	3.9
110.20740	1.8
112.04039	2.3
113.02465	8.8
119.03486	5.6
123.03238	3.5
124.04076	4.0
129.01959	18.7
134.03737	8.6
134.06081	4.8
136.01663	40.7
136.04039	2.6
136.07704	5.7
138.05623	30.2
141.02000	2.7
149.06174	2.7
151.04019	79.3
159.03014	5.0
175.04120	3.7
177.04063	100.0
178.04385	5.8
179.03500	6.5
182.04494	4.5
184.06178	6.0
193.05035	8.2
194.05818	3.9
195.05099	18.1
209.08197	5.1
211.06133	30.9
212.06384	2.5
220.39114	2.1
221.10258	3.9
227.09279	3.5
231.11435	3.5
237.06158	3.6
291.13370	2.5
293.11462	6.8
335.12570	2.5
353.14563	9.4
371.09836	7.7
389.10907	52.5
390.11200	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	388.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	68.3
61.98833	100.0
63.64354	14.9
69.20518	18.3
69.56837	92.0
71.01378	44.4
80.96554	16.0
85.90539	15.6
88.94902	14.7
89.02416	15.3
96.96024	18.2
108.02194	40.3
123.04543	83.1
165.91122	15.5
167.03528	52.8
181.84323	16.0
189.05515	17.9
191.03519	18.3
204.42213	17.8
208.98088	14.8
226.10100	14.9
281.86377	18.9
283.06122	15.5
296.48154	16.5
330.11459	18.3
389.08728	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	389.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30157	1.2
57.03438	1.6
59.01386	100.0
65.47271	1.3
70.74916	1.3
71.01387	17.4
71.54978	2.6
72.99311	2.2
73.02956	6.6
80.41210	1.4
83.01411	1.5
85.02958	8.4
89.02443	11.2
95.01407	2.8
97.88628	1.5
101.02454	13.9
102.82021	1.6
113.02454	12.4
119.03491	5.3
123.00889	4.6
131.40453	1.3
133.03017	1.5
136.01599	1.6
137.17776	1.5
139.00394	3.2
139.03943	1.9
145.02953	1.6
157.08740	2.3
160.01634	7.2
161.04562	5.6
167.10802	1.7
169.06616	2.2
171.10249	2.4
185.06073	4.9
186.03227	1.4
197.06151	2.7
224.04823	1.9
225.05527	2.2
227.03609	1.9
240.04245	2.1
241.05058	4.3
257.14117	1.4
257.17407	2.6
268.03766	3.1
269.04550	8.0
270.05139	2.2
271.19284	1.8
297.04037	41.4
298.04413	3.6
371.24237	2.3
389.21982	3.3
389.25650	33.6
390.25711	4.7
405.60004	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	389.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81276	1.1
55.01880	1.7
57.03453	1.4
58.00610	1.5
59.01385	100.0
60.01728	2.1
61.98839	5.3
63.60045	1.3
66.49514	1.2
69.46190	9.1
71.01389	26.3
72.99310	4.0
73.02948	6.4
75.00877	3.5
83.01393	5.3
85.02959	12.1
87.00884	2.0
89.02456	16.3
95.01450	1.6
97.02960	3.7
101.02456	16.8
109.02934	1.9
113.02471	9.4
119.03477	4.4
125.02445	12.6
131.03511	1.4
137.02449	9.1
140.07172	1.2
149.02466	3.2
152.04781	2.5
152.26259	1.3
156.98280	1.1
161.02477	1.8
161.04572	4.8
164.04787	2.3
166.05074	9.6
167.03467	1.8
167.07120	2.6
179.03549	2.2
194.05850	5.2
194.12585	1.5
195.04990	1.4
209.08229	7.3
212.06934	4.2
218.04887	2.0
227.09259	14.5
345.15729	2.7
346.93481	1.2
365.61023	1.4
389.06540	1.4
389.14127	19.2
389.18390	7.2
390.14447	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	388.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03437	2.4
58.00596	1.2
59.01386	25.1
61.98839	5.3
67.01910	1.4
68.99828	2.2
69.03457	2.5
69.76682	5.0
71.01387	20.6
72.99313	7.1
73.02966	2.9
75.00879	16.9
80.07281	0.8
83.01384	2.3
85.02956	19.3
87.00903	6.3
89.02455	6.9
89.77330	0.9
91.04004	1.9
93.03464	2.1
94.02991	100.0
95.01373	4.7
95.03311	2.3
99.00877	9.6
99.04508	1.0
101.02457	3.4
109.02950	1.4
111.04507	1.4
112.00430	1.2
113.02460	18.8
115.00352	1.9
117.01939	2.8
119.03489	1.4
125.47467	1.0
129.01944	2.6
136.01663	2.3
137.02495	2.3
138.01979	77.3
139.02332	3.2
150.03209	1.2
151.04019	5.6
161.04633	1.0
165.05547	1.1
175.02522	1.9
177.04053	1.7
189.03935	0.9
195.05151	1.4
206.07050	1.1
211.06204	5.1
212.05640	7.2
231.05058	4.2
249.06158	85.3
250.06465	4.5
262.64197	1.0
267.07245	2.6
310.14804	0.9
321.98093	1.0
328.06866	1.1
346.96317	2.2
352.16080	1.1
370.07785	1.9
388.08896	76.8
388.13168	3.3
389.09274	7.2
389.14545	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	387.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
67.79092	26.2
72.63017	27.1
72.81577	23.6
85.16844	27.2
89.02431	26.0
108.02197	35.3
116.64460	26.6
117.13491	29.0
163.45633	27.3
167.03500	62.5
175.63904	25.7
178.74214	27.0
211.99734	27.8
283.56372	27.2
387.15707	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
63.32517	31.4
71.54461	46.1
129.12076	31.0
158.31512	31.5
165.05615	38.6
167.03523	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20204	11.5
52.94701	8.6
55.03001	9.7
59.01382	100.0
69.26149	9.9
71.01396	8.9
103.36093	8.4
138.44434	10.6
148.02597	10.0
167.03491	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	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.1
59.01386	64.8
61.98836	100.0
63.28217	1.1
65.00729	1.3
71.01389	24.3
72.05407	1.1
72.99323	3.3
73.02952	4.5
75.00884	12.2
81.97264	1.2
83.01405	3.0
84.02174	1.5
84.49609	1.2
85.02962	11.0
87.00912	4.4
89.02451	15.7
93.03478	5.7
94.03008	3.6
94.03814	3.2
99.00891	3.7
101.02448	13.5
113.02468	10.1
119.03519	4.1
119.04994	1.4
121.02996	1.4
123.04566	1.4
125.02533	2.7
129.01962	1.8
130.08861	1.1
134.03793	2.0
136.01706	1.9
137.02470	11.6
138.01929	2.7
138.02867	4.0
138.05594	1.8
143.03474	1.6
151.04056	1.5
152.04773	6.1
153.05580	7.4
154.00983	2.6
159.03053	1.4
161.04568	7.0
163.04048	1.4
165.05646	2.6
167.07172	10.0
177.03992	7.0
179.05757	1.3
179.10905	1.2
182.08205	1.7
185.04593	2.4
193.05046	2.0
195.05077	1.2
197.04507	1.6
211.06157	7.8
227.09308	6.8
237.06160	9.8
249.06238	4.4
250.06573	4.3
256.12094	1.4
266.01355	1.4
267.07193	3.7
268.07672	4.5
301.03897	1.9
388.09570	7.9
389.10437	3.9
389.14703	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	387.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03451	1.7
59.01386	100.0
60.01727	1.2
71.01390	16.8
72.99333	1.2
73.02954	7.0
75.00880	0.6
82.23763	0.6
83.01398	2.9
83.05028	0.7
85.02964	7.3
87.00895	1.4
87.04546	0.7
89.02450	5.9
95.01420	1.6
96.96081	0.8
97.02980	0.6
97.06617	0.6
99.00891	1.7
101.02456	15.7
101.03113	0.9
109.76046	0.6
111.46642	0.5
113.02459	8.2
119.03519	1.7
128.28006	0.5
137.02437	0.6
143.03534	1.0
149.04590	0.6
151.46921	0.5
159.03070	0.6
161.04587	7.6
165.12881	5.6
175.61731	0.5
182.04584	0.9
183.13930	0.6
225.05663	0.5
225.15048	0.7
228.98436	0.6
255.16115	1.3
256.37311	0.6
269.17694	2.5
327.18350	2.5
328.18515	0.8
343.24966	1.1
345.19232	18.7
346.19708	2.3
387.15869	1.0
387.20190	1.3
387.24069	3.6
387.27884	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	387.2027
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01889	3.1
57.03456	4.0
58.00605	4.2
59.01385	100.0
60.01718	1.1
69.03468	0.5
71.01388	75.3
72.01730	1.5
72.99307	5.1
73.02952	7.9
74.88033	0.3
75.00869	0.8
80.62817	0.3
81.03465	0.5
83.01394	4.8
85.02959	20.3
87.00888	3.9
89.02454	77.8
90.02789	1.5
91.42427	0.4
95.01392	5.5
96.96021	6.0
97.02938	0.8
99.00899	3.9
99.04549	0.6
101.02453	49.5
102.02768	1.5
111.00893	0.4
113.02461	32.1
114.02780	0.8
119.03513	35.0
120.03889	0.7
125.02409	1.1
131.03532	3.3
136.01660	1.6
137.02437	0.7
137.09700	0.5
143.03502	5.6
149.04564	2.9
151.00330	0.5
151.04050	2.3
151.11282	1.0
152.08363	0.4
159.02971	1.4
161.03276	0.7
161.04575	13.5
162.04814	0.5
162.32393	0.5
163.11295	2.6
166.02678	1.2
167.03412	0.4
179.05635	7.3
180.05888	0.4
181.05135	1.8
181.06398	0.4
181.12312	0.7
189.12779	0.6
195.13901	1.4
207.13864	1.5
225.14961	8.2
226.15298	0.8
245.09175	0.4
264.36575	0.4
299.86938	0.3
375.70596	0.4
387.11090	0.6
387.15955	0.9
387.20291	10.4
388.20273	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	387.2027
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
50.02487	0.6
53.40449	0.7
54.58952	0.7
55.01887	2.2
57.03451	3.7
58.00601	3.8
59.01385	100.0
60.01710	2.0
71.01389	78.9
72.01733	1.9
72.99313	5.3
73.02950	9.6
75.00898	1.1
83.01394	4.4
85.02959	19.3
87.00891	4.0
89.02455	74.3
90.02791	1.6
94.44705	0.8
95.01399	4.1
96.96024	19.8
97.02985	1.1
98.19927	2.5
99.00909	3.3
101.02454	43.7
102.02790	1.0
108.02164	0.7
113.02463	30.3
114.93423	1.6
119.03516	30.4
123.20343	0.7
125.02527	0.8
131.03564	3.0
137.09726	1.7
143.03529	4.9
149.04614	2.7
149.09698	1.0
149.32410	0.8
153.09271	0.8
159.03050	2.5
161.04572	17.5
162.04898	1.0
162.06952	0.9
173.09827	2.3
179.04007	1.2
179.05669	6.4
189.12885	22.5
189.14543	1.4
190.13248	2.3
207.13937	6.8
208.14226	0.9
225.14980	3.8
245.09454	1.2
255.12383	1.0
387.11584	3.4
387.20688	4.0
388.20435	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	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
58.00601	1.6
59.01385	97.2
60.01704	1.2
65.64030	0.6
69.76289	3.4
69.76689	1.2
70.38868	0.6
71.01387	19.0
72.03611	0.6
72.99316	1.0
73.02951	0.9
81.74415	0.7
83.01394	1.1
85.02960	4.3
89.02453	19.8
95.01424	1.3
95.05032	1.4
101.02454	13.5
113.02462	6.7
114.02746	0.8
119.03508	5.7
131.03510	1.0
137.02444	1.7
143.03586	0.7
147.08174	1.4
153.50885	0.7
158.80157	0.9
161.04616	1.9
163.11304	45.6
164.11632	3.7
165.09180	3.9
179.05629	0.8
207.10287	2.4
219.87193	0.7
273.49448	0.8
310.59210	0.9
369.15894	0.9
387.16647	100.0
388.16998	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01894	0.6
57.16115	0.4
58.00594	0.9
59.01385	85.0
60.01709	1.3
60.23826	0.4
65.53787	0.4
69.44028	3.4
71.01389	16.5
72.99336	1.0
73.02964	1.2
74.94138	0.4
83.01407	1.1
85.02969	4.5
89.02451	15.8
95.01395	1.3
101.02446	11.1
110.35148	0.5
112.75838	0.5
113.02451	5.5
119.03527	5.7
121.04943	0.4
131.03499	0.6
134.04024	0.5
140.12495	0.4
140.27370	0.5
143.03473	0.6
158.47421	0.4
163.11281	4.7
164.11682	0.7
189.96248	0.4
207.10272	15.3
208.10587	1.4
369.15570	0.6
387.16620	100.0
388.16992	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.3
57.03450	5.3
57.94946	0.7
58.00598	2.1
59.01382	100.0
60.00134	0.7
60.01724	1.4
67.05508	0.6
69.03491	0.9
71.01387	67.2
72.01740	0.9
72.99310	2.3
73.02952	9.0
75.71667	0.6
82.12565	0.7
83.01395	6.2
84.74277	0.6
85.02956	31.2
86.03314	0.8
87.00896	2.9
89.02449	29.0
95.01397	9.5
97.02966	0.8
99.00896	4.7
101.02447	23.6
109.06589	1.1
111.00893	0.7
113.02454	53.7
114.02805	2.0
119.03516	9.7
125.02435	0.9
125.06087	1.4
131.03493	0.8
135.08163	1.4
137.09718	0.8
139.00349	0.8
139.07652	4.6
143.03500	2.2
147.08141	0.8
150.02966	0.8
153.01958	6.2
153.09221	12.8
159.03033	1.0
161.04561	9.1
163.11296	15.3
168.04298	3.5
179.05614	1.0
181.08702	1.4
183.06674	1.5
189.12877	0.8
189.87787	0.6
207.10263	4.1
209.11797	2.4
225.14934	1.5
243.15981	7.1
297.04062	1.2
315.14426	1.5
327.05078	1.6
339.98706	0.7
357.06107	2.0
369.06180	0.8
387.07050	2.0
387.16513	68.5
387.20410	4.4
388.16824	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	387.1566
Annotation	GS-3
Peak:m/z	Relative Intensity
57.03458	1.0
59.01391	4.8
68.99865	0.7
69.42329	3.9
71.01393	3.7
73.02970	0.7
83.01427	0.7
85.02960	1.8
87.64466	0.5
89.02461	1.8
94.06644	2.4
101.02465	2.2
102.99214	0.6
104.05059	0.8
107.03783	9.1
113.02450	1.5
118.58418	0.6
119.03534	0.9
120.04586	1.9
122.06136	47.1
123.06487	2.5
130.03004	3.7
131.03798	4.6
132.04590	8.6
134.06114	1.8
139.02798	3.0
146.06108	2.3
147.03323	0.7
148.04045	1.7
151.04033	0.7
152.07188	100.0
153.07547	4.6
158.02493	12.7
160.04033	1.6
161.04570	1.5
162.05620	5.8
164.07161	1.7
176.03532	1.8
190.05116	52.1
191.05428	2.6
192.06604	0.8
202.05098	0.7
222.07735	42.3
223.08086	2.6
234.07736	1.5
249.06886	0.9
255.16013	0.6
259.13718	0.9
265.09491	0.8
269.17542	2.0
355.13107	4.6
359.16080	1.2
387.15643	76.5
387.23941	2.9
388.15991	10.6
388.24222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79881	0.5
58.00602	1.3
59.01385	88.6
60.01715	1.3
66.89189	0.5
70.84972	0.8
70.85317	1.2
71.01389	17.7
72.99337	1.0
73.02957	0.9
83.01389	0.9
85.02954	3.9
89.02450	19.0
92.63944	0.5
93.03474	1.0
95.01414	2.0
99.00863	0.6
101.02457	11.9
104.81494	0.5
105.25771	0.5
113.02460	7.0
117.27016	0.6
119.03527	6.0
137.02463	1.8
147.52451	0.6
155.70924	0.5
163.11319	6.8
180.59354	0.6
207.10268	14.3
208.10555	1.5
211.22513	0.7
354.32712	0.6
387.16632	100.0
388.16965	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	387.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50591	0.9
57.03451	5.1
57.91033	0.8
58.34269	0.9
59.01384	23.2
63.81495	0.9
65.65210	0.9
68.66005	0.8
69.55070	3.7
69.55493	2.6
71.01389	19.5
71.05031	1.2
73.02934	5.8
74.11076	0.9
75.00876	2.1
81.07118	1.4
83.01386	2.4
85.02966	9.1
87.00876	1.7
89.02454	8.4
93.03455	2.5
95.01387	2.7
97.02995	1.7
97.06627	1.2
99.00911	2.3
99.04563	1.0
101.02448	11.5
108.02182	1.9
109.03005	4.2
111.00903	1.1
111.08168	2.0
113.02470	7.9
113.16631	0.9
119.03522	3.9
121.02981	7.2
121.06564	0.9
122.03726	2.1
123.00895	4.6
123.04492	1.0
123.08179	1.1
125.02463	2.6
129.67328	0.9
133.02968	1.1
135.02974	1.3
135.04486	1.1
136.01674	75.8
137.02475	16.7
137.09792	1.1
141.09248	1.8
143.03481	1.1
147.04469	1.0
149.02435	2.5
149.06087	1.4
151.00398	16.4
151.04021	100.0
152.01125	2.2
152.04341	6.1
159.03067	1.5
159.04468	1.3
160.05315	1.5
161.04620	6.3
162.03191	1.4
163.04037	1.8
164.04793	1.1
165.01875	1.1
166.02734	41.4
167.03336	3.6
175.03955	1.7
175.07632	1.3
177.01881	4.7
177.05634	1.2
181.05083	62.8
182.05415	2.8
184.03804	1.7
187.04077	1.1
189.05600	1.1
191.03531	0.9
192.04291	1.0
192.11554	1.3
193.12248	1.1
195.03123	1.1
196.08047	1.0
205.05070	1.6
207.13918	5.4
211.13351	1.2
225.15018	1.1
228.07837	1.1
255.12389	1.9
255.16010	13.0
329.10495	4.1
341.13974	2.6
343.05331	1.0
355.09479	1.5
357.09750	21.7
358.10156	2.8
372.12164	15.8
373.12552	2.1
387.14624	40.8
387.19934	3.6
387.24466	5.0
388.14896	7.1
388.19540	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	387.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14264	0.5
56.63181	0.6
57.03469	0.6
59.01383	12.2
62.47227	0.4
65.43275	0.5
70.00440	0.9
70.00833	1.2
71.01392	8.4
72.99294	0.7
73.02943	2.6
75.00852	0.6
80.05065	1.5
83.01389	1.0
85.02958	4.3
87.00892	0.8
89.02446	5.4
94.06630	16.9
95.01437	0.8
95.06950	0.6
98.19833	0.7
99.00900	1.0
101.02452	5.3
104.05081	7.4
108.04572	6.8
113.02449	4.2
113.22108	0.5
116.05008	0.6
119.03493	2.0
122.06133	100.0
123.06478	3.6
123.68021	0.5
126.95431	0.6
132.04567	54.1
133.04921	2.6
134.03668	0.6
138.06848	1.5
143.03522	0.5
144.04590	1.6
148.04073	5.7
148.71143	0.5
149.04533	0.8
151.33104	0.6
152.44652	0.6
153.09219	4.3
160.04073	1.3
161.04587	1.9
164.07210	0.6
170.05246	0.6
176.03528	8.0
183.13895	0.8
188.03607	1.3
190.05078	1.5
208.06197	6.6
211.13440	0.9
215.11862	0.7
220.06140	0.9
225.15041	2.3
239.11934	11.7
240.12149	0.8
243.11401	4.1
255.12457	4.4
265.09961	0.7
267.11401	20.3
268.11819	1.5
270.13086	0.5
283.10889	9.7
284.11191	1.0
293.09235	0.7
311.10397	44.5
311.61234	0.6
312.10690	4.6
315.13513	4.1
325.11990	3.4
326.12253	0.5
327.14435	0.9
332.42926	0.5
337.08163	0.5
343.12994	18.5
344.13367	1.9
345.15433	0.9
355.09290	4.5
369.11011	2.0
387.11957	12.2
387.16257	1.2
387.20407	1.9
388.12347	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	387.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68068	1.3
55.01871	3.4
57.03462	6.9
59.01387	73.8
65.00319	1.2
68.99827	27.7
69.03474	1.5
71.01015	2.1
71.01393	43.0
71.55666	1.3
72.99306	2.6
73.02959	14.1
83.01392	5.3
85.02969	16.9
87.00898	4.4
89.02460	17.5
93.03466	1.2
95.01354	2.8
97.02924	2.0
97.06615	2.6
99.00895	4.1
100.74911	1.2
101.02454	62.6
102.02791	1.7
107.05040	1.3
108.04545	1.8
109.06612	1.5
110.02489	2.4
113.02458	18.7
113.96043	1.3
115.00381	1.1
116.09779	1.1
119.03513	9.8
120.04556	1.8
122.06147	2.5
122.38127	1.2
125.02430	1.9
131.03514	1.4
134.02467	2.8
136.01660	4.6
136.04031	2.8
136.75693	1.3
137.02428	2.6
141.09271	2.5
143.03482	3.2
149.04637	2.3
150.05626	5.7
150.51950	1.1
151.04001	4.6
157.99152	1.3
159.02995	3.2
161.04588	14.8
162.02054	2.1
162.05621	1.7
163.02719	1.2
164.03560	14.7
166.02704	1.5
176.03568	2.9
177.04095	2.0
179.05621	2.5
181.05109	1.8
183.10291	1.7
192.03084	6.6
198.09326	1.4
204.02942	2.1
205.03729	3.3
206.00705	1.3
207.13882	3.4
211.13315	1.8
225.10271	2.4
225.14998	2.1
226.07430	1.9
227.08301	9.0
229.09856	2.8
237.11282	1.3
239.08302	1.8
241.09895	2.9
253.06134	4.5
253.09868	2.6
254.06871	1.8
255.07704	5.0
255.12352	4.9
255.16028	8.1
257.09259	5.4
259.10864	5.3
266.06915	1.7
267.07703	2.3
269.09378	7.8
269.13965	2.0
269.17523	1.9
281.05627	4.2
281.09210	2.3
282.06497	1.7
283.10956	1.6
285.08810	34.9
286.09164	2.8
287.10635	1.6
293.05634	1.7
294.06436	5.9
295.07166	1.7
296.07895	2.0
297.08890	15.8
299.10327	4.7
303.09836	3.2
312.07498	2.4
325.08279	5.0
327.09860	25.4
328.10135	2.3
345.10773	2.1
351.64627	1.2
352.88492	1.5
355.09396	25.1
356.09744	4.6
372.12018	1.5
373.10419	100.0
374.10733	12.5
387.03998	1.4
387.15579	4.8
387.20108	9.0
387.24429	14.0
388.24350	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	387.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86073	0.2
54.32505	0.2
55.01874	0.6
57.03460	2.4
58.00589	0.7
59.01385	15.2
62.20505	0.2
62.67928	0.2
65.03973	0.2
65.87554	0.2
68.99805	0.6
69.03456	0.4
71.01387	15.9
71.05027	0.7
71.54235	0.3
72.99312	1.1
73.02956	3.2
75.00867	2.0
81.03460	0.4
83.01398	1.5
85.02964	6.8
87.00880	1.9
89.02455	8.4
93.03468	47.1
94.03815	1.5
95.01389	1.7
95.05032	0.3
97.02979	0.6
99.00906	2.1
99.04491	0.4
101.02451	7.6
102.02791	0.3
109.02986	0.4
109.06615	0.3
113.02464	7.3
114.02760	0.3
115.00385	0.2
115.04090	0.3
117.01964	0.5
119.03525	2.8
121.02977	0.4
123.08146	0.2
125.02423	0.3
126.12988	0.3
131.03529	0.5
134.03784	0.3
135.08170	0.3
136.01747	0.4
136.05350	0.3
137.02467	100.0
137.09760	0.5
138.02797	4.3
138.06888	5.0
143.03545	0.5
152.07166	0.5
153.01971	3.0
153.09238	11.2
154.09569	0.5
159.02989	0.7
161.04584	4.3
163.11264	0.4
165.09247	0.5
168.04327	2.7
179.03542	0.3
179.05598	0.7
181.05209	0.3
183.06642	1.6
183.10318	0.3
189.12892	0.3
207.13904	1.3
225.14978	19.5
226.15367	1.6
231.05150	0.3
239.12959	0.9
243.91972	0.3
249.06171	17.7
250.06566	1.1
266.15823	0.3
267.07275	0.3
387.08963	2.9
387.16544	0.8
387.20551	1.0
388.09531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38421	1.2
57.03440	4.6
59.01383	37.4
61.98826	4.1
66.66122	1.2
68.40397	1.3
68.97956	1.2
68.99804	2.5
69.03454	2.0
69.81199	2.2
69.81616	5.0
71.01016	2.1
71.01389	30.6
72.99320	8.6
73.02931	2.0
75.00877	19.2
83.01356	1.8
85.02463	2.1
85.02956	29.4
85.44416	1.4
86.03339	1.4
87.00877	10.2
89.02446	10.5
91.71000	1.3
93.03468	58.9
94.03781	1.7
95.01379	6.8
99.00896	12.4
101.02464	3.9
103.00378	2.8
109.02966	2.1
113.01728	2.3
113.02466	31.0
115.00342	2.3
117.01944	3.5
121.02945	2.5
123.04544	8.6
129.01965	3.3
136.01691	2.0
136.33806	1.4
137.02461	100.0
138.02792	3.7
150.03229	2.5
157.01401	2.0
162.49171	1.3
165.05464	3.0
175.02464	1.6
181.05035	1.7
182.08211	1.4
183.06642	2.8
193.04979	1.8
211.06152	13.0
212.06525	2.2
216.65491	1.4
225.07640	2.8
231.05026	7.0
249.06175	60.3
250.06480	2.6
267.07233	60.0
268.07578	1.9
369.08154	3.0
374.39020	1.4
387.09256	68.8
388.09579	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	387.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68417	1.2
53.41287	0.9
57.03444	3.5
59.01112	1.5
59.01385	21.0
67.01880	1.2
68.99813	2.3
69.03468	2.6
69.81639	5.0
70.87919	0.9
71.01392	26.3
72.99316	6.3
73.02943	2.3
75.00883	19.8
76.56172	1.0
83.01397	1.9
85.02965	27.7
87.00878	11.3
89.02471	6.0
91.04027	1.6
93.03468	52.1
94.03793	1.8
95.01392	5.2
99.00885	14.2
99.75052	0.9
102.89658	1.2
103.00392	2.9
109.02960	1.3
111.00816	1.5
113.02464	29.3
115.00395	2.9
117.01923	5.0
123.04517	3.6
125.26754	1.2
129.01973	2.2
131.63254	1.1
136.01669	2.2
137.02463	100.0
138.02786	4.2
138.19644	1.0
150.03250	2.2
154.80220	1.3
175.02464	3.7
183.06680	2.5
198.39218	1.2
211.06119	10.8
231.05124	3.6
249.06177	50.5
250.06494	4.2
267.07236	55.3
268.07635	3.7
325.09308	1.7
387.09354	55.1
388.09659	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	385.2235
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01389	7.0
61.98824	1.0
71.01393	0.9
81.03452	0.7
89.02441	1.5
91.04017	2.2
92.26077	0.6
97.06600	0.7
107.05037	0.6
109.02944	2.0
121.02985	1.9
122.03749	1.4
123.04542	0.8
125.02412	1.1
135.04536	0.6
137.02464	1.2
153.09248	1.0
165.01926	3.5
166.02611	0.8
167.03487	0.8
167.14452	3.5
175.07561	0.7
185.61371	0.7
191.33150	0.6
193.15979	1.7
197.31454	0.6
207.17636	2.1
212.08385	1.4
223.20697	2.8
227.10748	2.5
231.17630	1.0
233.15550	0.9
249.18614	8.0
250.19005	0.7
253.18187	1.2
257.11938	1.2
267.19669	100.0
268.20029	10.5
275.16547	13.6
276.16824	1.2
293.17618	73.5
294.17938	8.3
301.10760	5.2
306.80167	0.7
311.18677	12.6
312.19177	1.4
367.21344	7.0
368.21747	0.9
385.22314	46.9
386.22659	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	385.2236
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01395	3.7
59.67350	0.3
69.19276	2.1
69.19703	1.3
71.01384	0.8
76.29382	0.4
76.79105	0.3
89.02436	1.2
91.04044	3.0
96.89371	0.3
97.06594	0.7
109.02939	0.5
121.02959	1.2
122.03728	1.6
123.04519	0.4
125.02398	0.8
126.03181	0.4
135.04507	0.3
136.05302	0.8
165.01933	1.3
167.14426	3.2
168.04204	0.6
171.08174	0.6
193.15993	1.6
207.17525	1.4
216.48276	0.3
223.20695	2.4
231.17499	0.7
233.15320	1.0
241.05119	1.1
247.17076	0.4
249.18607	7.9
250.18892	0.6
267.19666	100.0
268.17230	0.7
268.20016	10.5
275.16553	13.9
276.16800	1.7
293.17612	71.6
294.17957	8.8
297.04114	0.9
299.11105	0.5
311.18646	12.9
312.06454	0.8
312.18958	1.3
327.08820	0.9
327.21854	0.4
367.21213	8.3
368.21619	0.9
385.22345	59.8
386.22650	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	385.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58483	1.6
57.03445	4.6
59.01382	4.7
61.98827	3.5
65.00340	2.2
70.92448	3.9
80.46989	1.7
81.03458	2.2
91.01907	1.8
108.02187	10.1
112.51077	1.5
112.91707	1.6
117.03493	2.9
122.79800	1.7
130.04221	4.7
132.02145	3.9
133.02956	2.9
135.00912	7.3
143.05109	2.5
145.02965	27.3
147.04539	93.6
148.01724	10.3
148.04868	4.9
158.03697	2.9
159.04530	7.1
160.05266	3.3
161.02441	2.6
162.03279	3.1
163.00401	4.5
173.06093	8.4
175.04066	8.9
175.07564	1.7
177.01967	4.4
187.07668	4.5
191.03531	7.2
192.04051	2.1
194.02206	2.7
207.08116	1.7
221.09688	20.8
223.11337	2.1
225.09177	3.2
235.07669	41.5
236.08394	21.5
237.09114	3.6
237.11299	22.7
239.10880	1.9
249.09280	2.2
250.06436	14.8
251.06889	4.6
251.10791	100.0
252.11055	12.8
253.08707	36.4
254.09203	4.1
261.12823	3.8
263.14670	1.6
265.08704	89.0
266.09229	17.2
268.07486	8.9
275.10733	4.5
277.12357	5.9
283.13458	23.7
284.13745	2.7
291.13998	22.4
292.14175	2.0
294.12265	1.9
295.09927	4.7
305.12036	2.3
309.15082	6.6
323.16641	2.0
335.13260	2.0
339.15625	1.8
341.17587	65.2
342.17847	10.7
355.15613	3.4
378.19147	1.7
385.16547	19.2
386.16827	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	385.1872
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
55.01885	7.4
56.47213	1.0
57.03453	6.5
59.01384	28.5
66.71272	1.2
69.31168	8.5
71.01388	100.0
72.01718	1.4
72.03262	1.0
72.99326	1.8
73.02951	28.5
75.00875	2.0
83.01395	11.0
84.02185	1.2
85.02958	47.4
86.03290	1.3
87.00887	3.8
89.02457	10.3
95.01396	8.6
97.02962	3.3
99.00893	11.0
101.02451	57.1
102.02798	2.0
113.02457	40.0
114.02769	1.2
119.03483	2.6
125.02445	3.5
129.01929	2.2
129.68539	1.0
132.32439	0.9
143.03488	4.5
159.03024	8.3
160.03343	1.2
161.04573	44.4
162.04982	1.3
177.23999	0.9
179.14433	13.7
179.79530	1.1
190.15170	0.9
223.09816	3.5
223.13423	3.1
385.18600	16.7
386.19031	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	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.7
58.59625	0.5
59.01385	100.0
60.01715	1.0
70.67963	1.3
70.68298	0.8
71.01391	6.3
73.02963	1.9
75.00885	0.7
85.02967	2.0
85.16978	0.6
89.02464	0.8
90.93080	0.6
99.00924	0.9
101.02473	3.3
111.56364	0.5
113.02455	2.8
135.03044	2.3
143.03598	0.7
148.05319	11.9
161.04541	7.2
163.07668	10.5
164.08000	0.6
171.62961	0.6
253.14732	0.6
257.14606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12554	0.2
59.01379	1.5
59.53005	0.3
63.51006	0.2
65.03960	0.7
71.55215	0.4
94.04234	0.2
104.09026	0.2
108.02183	6.2
109.03001	2.6
109.05907	0.4
109.06606	5.9
121.02975	9.1
122.03757	18.3
123.00874	0.4
123.04078	0.6
133.02969	0.3
133.10249	1.9
134.03780	0.5
138.03242	0.4
149.99536	0.2
151.00372	0.4
165.01886	0.6
167.03427	0.3
175.07626	0.3
177.09225	100.0
178.09564	6.8
193.01440	0.6
305.24481	0.2
339.68469	0.2
385.12903	0.7
385.20062	0.3
385.24301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23256	0.8
57.03462	1.3
58.81210	0.9
59.01386	100.0
59.26936	0.9
60.01701	1.4
69.03444	1.0
69.17316	8.2
69.17580	1.0
71.01389	15.1
72.99313	8.7
73.02954	8.4
73.08746	0.8
73.26635	0.8
75.00875	3.7
81.03455	1.2
83.01418	2.2
84.83006	0.7
85.02957	5.3
87.00890	2.3
89.02461	7.8
93.03473	1.1
95.01404	1.7
95.05043	1.0
97.06583	1.7
99.00900	1.2
99.04514	1.1
101.02448	10.8
107.05057	1.1
108.02187	1.4
109.02994	1.2
113.02465	6.5
119.03509	2.4
121.02980	10.6
122.03780	1.1
123.04545	1.2
123.08150	1.0
129.01988	1.2
131.03502	0.9
133.05038	2.4
135.02988	1.7
135.04561	7.1
143.03535	1.2
148.05324	15.0
149.05684	1.2
161.02501	1.0
161.04509	1.6
163.04022	1.9
163.07681	8.9
173.20099	0.9
177.04105	1.9
179.03529	7.2
180.04280	1.8
181.05180	1.3
181.08621	2.5
197.18875	0.8
205.12309	2.5
207.02986	1.5
207.06557	0.9
223.09702	1.7
223.13571	1.0
237.07736	1.0
237.11243	1.1
249.06166	3.7
253.14391	2.7
255.74455	0.9
266.43527	0.8
267.15933	1.0
269.99518	0.9
277.10794	1.2
325.12912	3.4
343.13995	8.8
367.10309	0.9
377.09998	0.8
385.11392	15.6
385.15521	1.5
385.18826	1.4
385.22778	0.9
386.11859	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	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07590	0.6
56.15949	0.7
59.01385	100.0
60.01718	1.3
69.18404	7.8
69.99557	0.7
71.01405	6.9
73.02937	1.0
85.02979	2.7
98.19893	1.9
101.02484	3.4
101.14594	0.8
103.20031	0.8
113.02470	2.9
114.90594	0.8
117.82418	0.7
120.38498	0.8
148.05322	11.2
159.03017	0.7
161.04543	5.8
163.07655	9.9
302.55222	0.8
364.23642	0.8
373.19458	0.9
379.07968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.7
57.83389	1.6
59.01386	7.8
61.98820	2.3
70.03579	7.9
71.01384	2.8
72.97028	1.7
85.02970	10.2
86.92033	1.8
98.20083	2.4
119.05041	95.0
120.05393	3.9
135.13451	2.2
152.16006	1.9
163.04022	100.0
164.04341	4.9
166.55988	1.7
191.02045	2.5
223.06212	2.1
265.60413	1.9
272.94955	1.9
385.11588	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	385.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19611	1.7
54.73711	1.6
57.03456	3.5
59.01386	32.8
61.98837	2.4
69.03458	5.7
69.29163	13.5
69.29567	2.9
71.01385	23.1
72.99316	45.8
73.02951	4.6
73.35731	1.8
75.00871	5.8
82.19797	2.0
83.01407	4.8
84.02184	9.1
85.02955	18.7
87.00883	10.3
88.04031	2.1
89.02440	8.3
97.02930	4.3
97.06637	2.9
98.20721	3.9
99.00894	5.8
99.04518	5.6
101.02441	7.0
103.00380	2.8
107.04996	2.6
109.02972	2.4
111.00800	1.9
113.02469	10.7
115.00407	2.0
117.03439	6.2
118.36420	1.9
119.03485	2.0
121.02964	21.5
122.03763	3.9
123.04536	5.1
129.01964	2.6
134.03761	48.2
135.04469	6.8
136.05304	26.5
138.06824	1.9
139.07619	4.7
146.03778	3.0
147.04478	3.5
147.35992	1.9
148.01622	4.2
148.05246	5.0
149.06070	9.0
150.06828	3.9
151.07689	15.4
152.08415	3.9
153.09227	9.8
157.83879	1.9
159.04546	2.3
161.02472	3.2
161.06055	2.6
162.06870	14.1
163.04008	3.3
163.07701	17.1
165.05574	3.8
166.02710	5.8
166.06364	23.4
167.06898	2.4
172.05331	3.1
173.09785	3.4
174.06947	2.3
175.07640	15.2
176.04819	3.9
177.04109	3.4
177.09267	4.2
179.07092	3.0
180.07925	14.9
181.05069	5.2
181.08727	62.4
182.09030	3.9
185.00804	2.7
187.07611	6.2
188.04822	2.2
190.06326	5.1
191.05618	3.6
191.10820	13.3
193.05090	47.7
201.09195	6.5
203.07150	3.9
204.04260	2.2
205.05177	1.9
205.08768	10.3
205.12300	5.4
207.06627	3.6
207.10391	2.1
209.06636	11.4
215.07042	3.0
217.08714	5.7
219.10284	28.9
220.10690	2.2
223.06102	4.4
223.13399	3.9
224.03523	2.1
229.08740	9.4
233.08160	7.4
241.14430	5.3
247.09518	2.4
255.10800	2.4
256.10858	4.9
259.09790	4.7
261.11334	4.4
273.07611	3.1
277.10834	30.2
291.08649	2.3
295.08337	3.4
305.10321	4.3
307.08298	2.5
309.09628	3.2
323.11221	2.7
367.10428	31.9
385.11334	100.0
386.11646	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	385.1144
Annotation	Axitinib
Peak:m/z	Relative Intensity
50.87025	0.8
58.82703	0.9
59.01387	29.5
70.30103	3.1
70.35471	0.9
71.01381	2.5
72.99317	35.8
73.02936	1.4
73.99654	1.1
75.00883	2.0
85.02953	1.6
87.00887	1.2
89.02438	1.1
93.03471	3.3
97.06598	10.6
98.13387	0.9
98.20782	0.7
99.00880	1.9
101.02461	2.4
103.00381	2.6
106.83521	0.9
107.05061	6.3
108.02199	8.5
109.02985	6.3
112.05312	2.9
113.02496	2.0
121.02969	48.2
122.03802	8.2
123.04562	4.9
131.12074	0.9
133.02954	1.2
135.04556	7.1
136.01744	0.8
136.05171	0.9
137.02464	0.9
145.03052	1.3
145.62361	0.9
146.03773	1.7
147.00859	1.3
149.02431	1.3
151.04015	3.0
161.02472	3.2
163.04045	10.8
163.07610	1.3
164.04785	4.0
167.21947	0.9
175.07585	0.9
177.04062	1.5
179.03510	48.6
180.04291	9.4
181.05014	3.0
189.01987	1.7
201.09146	2.0
207.02988	6.1
208.03737	5.1
244.23932	1.2
263.09280	1.1
277.10852	9.5
283.51776	0.9
305.10342	3.9
309.09857	6.0
323.11313	2.8
343.14120	1.2
367.10504	5.9
385.11404	100.0
386.11761	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	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39250	1.0
57.34034	0.9
58.69464	0.8
59.01382	13.1
60.01716	0.9
69.51598	7.3
69.51975	1.9
71.01387	3.1
72.99313	42.6
75.00876	1.8
87.00883	2.5
89.02449	2.1
90.27969	1.0
93.03455	3.6
97.06589	12.7
99.00886	2.4
101.02423	1.2
103.00398	3.1
104.51738	1.0
107.05057	6.1
108.02175	9.8
109.02986	7.6
112.05299	3.3
117.03519	1.4
121.02969	45.5
122.03829	10.5
123.04553	7.1
133.02966	1.6
133.05078	1.5
135.04539	6.9
145.02975	1.9
147.00914	1.7
147.04529	1.2
148.01675	6.5
149.02452	1.7
149.06049	1.4
150.03070	1.0
151.04028	3.1
152.01308	1.1
153.02028	5.7
161.02458	4.0
163.04044	11.1
164.04793	4.6
165.01926	6.1
165.05641	1.3
166.02753	7.7
175.07697	1.6
177.02045	1.3
178.02675	1.5
179.03517	42.9
180.04294	11.7
181.05034	4.2
189.01955	2.9
189.09189	1.4
192.00645	1.8
193.01370	2.0
198.01619	1.1
205.01440	1.8
205.08614	1.4
207.02969	5.4
208.03781	4.7
224.03296	3.5
247.06068	2.8
249.07524	1.6
256.37778	1.2
259.06070	1.5
265.07187	5.3
277.07404	9.4
277.10461	8.4
278.07635	1.2
279.08868	1.5
291.66159	1.0
295.08231	14.9
296.08499	2.0
305.10220	5.1
307.08240	2.2
309.09726	5.9
323.11353	2.9
367.10437	7.1
385.11404	100.0
386.11670	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	385.1144
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
56.21152	3.0
57.03445	7.5
59.00731	2.8
59.01385	37.9
64.17445	2.8
69.03452	3.4
71.01395	22.3
71.49230	3.3
71.55045	3.7
72.99322	13.6
73.02940	9.8
75.00866	8.1
83.01375	4.8
85.02955	25.5
87.00879	31.3
89.02446	7.6
89.44026	2.9
93.03460	4.0
99.00877	8.0
101.02448	10.2
102.03421	2.9
107.05002	8.5
109.02990	4.5
113.02441	11.2
115.00387	9.2
121.02932	12.8
123.04533	12.9
125.02435	10.5
129.01941	10.9
130.08716	4.4
134.03746	20.0
135.04512	11.6
136.05327	38.1
137.02432	3.8
137.05873	3.7
143.03467	3.6
147.03065	3.3
148.05223	3.5
149.02466	44.2
149.06078	12.8
150.06833	11.7
151.03955	3.0
151.07664	13.2
152.01152	8.3
153.05664	3.1
161.06091	7.9
162.05637	3.7
162.06883	15.9
163.04018	15.3
163.07629	17.2
164.04822	37.1
165.01906	8.9
165.05490	11.8
166.02631	3.5
166.06354	4.4
167.03320	3.0
167.07091	4.1
169.30363	3.3
173.05994	5.0
174.01709	41.7
175.02405	11.7
175.03894	5.3
177.05568	5.4
179.07120	15.8
180.07928	25.0
181.05077	9.4
181.08698	66.8
187.07600	7.0
189.09207	3.5
189.85153	3.0
193.01448	18.0
193.05003	18.3
205.08601	5.0
208.03790	37.0
209.06537	3.2
217.08720	6.9
219.10272	4.6
223.04465	18.2
223.06291	78.2
223.09500	3.5
224.06479	5.4
233.08067	3.4
265.06940	5.1
270.03662	3.6
307.08386	3.3
325.09290	9.3
367.10339	15.0
385.11353	100.0
386.11508	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	384.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32341	2.0
59.01386	100.0
67.50573	2.1
70.47564	2.1
71.55322	3.0
111.62832	2.2
135.04494	2.2
152.70547	2.1
167.50926	2.2
203.37494	2.2
385.33298	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	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30086	1.0
54.54898	1.0
55.01881	3.1
57.03456	11.1
59.01384	13.9
68.99782	1.2
69.62186	1.0
70.89809	2.5
71.01390	5.6
72.99325	4.4
73.02955	3.4
75.00877	1.8
79.59467	0.9
80.95907	1.1
81.03477	1.5
83.01397	3.6
84.02171	4.8
85.02959	100.0
86.03281	3.5
87.00883	5.0
89.02413	2.4
93.03481	2.1
97.91873	0.9
99.00898	2.4
101.02464	3.4
103.00383	2.1
103.21603	1.1
109.02974	1.1
111.00914	3.7
113.02459	1.2
119.05036	6.8
125.02462	4.5
129.01930	9.0
133.01471	1.1
134.03755	5.0
135.04466	1.6
137.06146	1.7
147.03004	9.5
153.15117	1.3
163.04001	11.2
165.05432	1.2
171.02963	1.8
173.04527	1.6
174.01711	3.0
181.05070	1.2
191.01991	24.3
192.02319	1.6
193.05070	4.1
204.12427	1.8
205.03581	4.2
209.03035	15.3
223.04501	20.1
236.45366	1.1
264.77258	1.0
269.40518	1.1
374.19095	1.2
385.11740	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	383.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86325	1.3
59.01383	1.5
64.25571	1.1
71.45546	1.8
72.55437	1.0
88.82383	1.0
89.02493	1.2
98.20026	1.1
102.76128	1.3
103.26638	1.2
115.62859	1.3
141.47021	1.1
169.12521	1.2
173.23898	1.2
304.44739	1.2
319.30286	1.4
321.31650	62.3
322.32040	10.0
339.32520	1.6
365.30594	17.9
366.31039	2.2
383.31683	100.0
384.32022	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	384.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84664	1.3
55.01889	2.1
57.03453	5.5
59.01385	51.6
61.98837	15.7
64.81173	1.2
65.04662	1.3
69.03457	3.7
69.33677	10.4
71.01389	38.4
72.00945	1.8
72.99315	9.1
73.02959	14.2
73.72697	1.8
75.00883	3.1
83.01398	5.9
85.02959	37.8
86.02486	26.5
87.00884	35.3
88.01250	1.5
89.02457	14.3
91.05548	3.9
91.64441	1.5
93.03475	29.9
95.01427	4.3
96.96012	2.5
97.02989	2.2
98.20722	3.0
99.00901	3.6
100.04027	1.5
101.02457	22.2
103.00389	2.2
104.03551	63.7
105.03831	1.2
109.03013	2.1
111.00888	2.6
113.02485	13.3
116.05093	2.3
117.03511	1.4
119.03520	5.6
119.05029	4.2
121.02972	6.9
123.04556	4.5
134.03751	3.4
135.04535	13.6
136.05309	1.8
137.02466	3.3
147.03046	3.9
147.08221	1.7
148.01689	19.9
149.02489	8.3
149.06113	4.0
151.07663	1.9
160.04031	2.4
161.02461	2.5
161.04637	3.6
161.06075	2.9
162.05684	3.2
163.04034	64.7
163.07683	3.6
164.04826	7.5
165.01944	2.3
166.05157	1.7
173.06097	12.1
176.01198	4.8
178.08778	3.8
179.03604	1.5
179.05608	1.8
179.07161	3.3
180.07907	2.6
181.05099	5.3
181.08737	2.4
191.01967	7.7
191.07164	20.7
193.01457	3.2
193.05215	2.2
204.06763	5.2
205.05070	2.6
208.03841	4.5
209.03047	3.5
217.08861	3.1
219.06604	8.1
220.07274	3.2
221.07913	1.5
222.07745	11.8
223.06198	18.3
249.06261	4.8
252.05206	1.4
261.11649	1.9
263.05609	11.6
264.08719	1.5
266.08829	90.4
267.09219	5.4
278.11328	2.0
281.59579	1.6
338.36990	1.3
340.10394	3.1
341.12463	2.9
366.09109	2.1
367.10519	5.5
384.13159	100.0
385.11194	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	383.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.3
57.03448	1.4
58.02967	4.4
59.01386	100.0
61.98829	2.0
65.70143	1.0
68.68781	1.0
69.72849	5.0
71.01395	14.2
72.21535	1.0
72.99319	5.8
73.02966	5.8
83.01411	1.5
85.02976	6.8
87.00875	1.2
89.02462	6.9
89.40273	0.9
95.01367	1.2
96.31969	1.1
98.20629	2.0
99.00875	2.2
99.04481	1.1
100.24554	0.9
101.02454	12.2
103.00404	1.4
103.04008	2.1
104.40965	1.1
113.02459	6.5
119.03497	2.3
119.05038	4.0
120.35392	0.9
135.04565	1.2
137.02512	1.1
143.08322	1.3
149.05995	1.1
159.03050	1.3
161.02483	2.5
161.04585	7.6
161.11877	1.7
162.03226	1.4
163.04027	3.2
173.05936	1.3
179.05641	1.4
180.04245	1.4
185.09309	12.1
191.03548	1.2
191.07297	1.0
219.06566	1.9
220.07341	3.6
221.04585	1.6
221.08028	1.8
250.49718	1.0
257.32919	1.2
259.09625	1.0
277.10809	4.1
323.17114	46.7
324.17532	6.4
365.08783	2.9
383.05646	1.5
383.09930	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	383.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13402	1.0
53.33033	1.0
55.01876	2.1
57.03453	2.1
58.02977	5.5
59.01386	100.0
60.01716	2.4
61.98851	2.7
66.30085	1.0
71.01390	33.8
71.09187	2.2
72.99330	3.8
73.02953	11.3
73.76006	1.3
75.00915	1.6
83.01406	6.4
85.02954	15.4
87.00883	3.2
89.02451	18.6
95.01405	1.4
97.02949	2.0
99.00892	4.4
101.02456	27.0
103.04026	2.1
113.02469	15.2
119.03523	5.2
119.05043	3.7
122.05955	1.1
125.02472	1.6
131.03491	1.6
133.02974	1.8
135.04594	1.2
137.02469	1.1
143.08267	2.2
146.08289	1.2
147.08521	1.9
159.02997	2.0
161.02426	3.5
161.04562	17.2
163.03979	2.6
173.06180	1.5
177.01929	3.6
177.05664	1.4
178.08745	3.2
185.09344	18.6
203.05701	1.1
204.10387	1.2
215.64565	1.0
219.06563	2.2
220.07330	1.8
251.11394	22.4
252.11693	1.8
277.10803	2.2
293.79312	1.1
321.09897	1.4
323.13568	1.8
323.17102	28.2
323.20883	1.7
324.17380	3.5
383.05643	1.3
383.09891	7.1
383.15829	23.2
384.16617	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	383.1867
Annotation	Phomoarcherin B
Peak:m/z	Relative Intensity
59.01344	1.0
61.98824	0.8
65.60781	0.6
67.01882	1.2
67.84888	0.6
70.92265	1.5
78.80906	0.8
79.05508	1.9
81.03473	3.6
89.03950	1.6
93.03434	1.7
99.04517	1.0
107.05041	7.9
108.02164	1.0
109.02913	1.1
111.00857	0.7
117.03429	1.1
119.05065	1.4
121.02974	4.4
123.00842	0.9
123.04530	1.5
124.01604	1.0
129.07085	0.7
133.02951	1.0
134.03769	5.2
134.40593	0.7
135.04543	3.2
136.05267	1.5
137.02443	1.1
147.08051	0.6
149.02432	3.0
149.06107	8.9
151.04022	19.5
152.04317	1.1
157.05205	1.3
157.06581	8.2
159.04468	2.0
162.89070	0.7
167.77562	0.7
175.07652	26.0
176.07965	2.9
181.08739	5.3
187.07671	1.0
201.05577	8.1
202.06206	1.0
216.17654	0.8
216.74484	0.7
223.07765	0.8
225.09230	86.8
226.09663	9.1
227.07106	1.1
237.09222	11.5
238.09610	1.1
239.06976	0.9
239.10771	5.1
241.12392	0.9
243.10260	1.6
265.12341	1.2
269.08105	1.6
272.10547	1.3
277.08868	0.9
279.07092	0.6
279.10922	1.2
279.13989	5.4
280.14340	1.1
281.08221	1.4
289.08762	0.9
291.10437	0.9
295.09894	0.8
306.08978	1.4
307.09857	1.4
309.18558	8.1
310.19116	0.9
319.09848	1.4
321.11304	20.1
321.18591	5.5
322.11508	3.3
322.19073	1.2
323.09235	12.4
323.12695	1.1
324.09647	1.4
335.09244	1.5
336.10034	0.9
338.11734	2.1
339.19653	37.6
340.19983	6.9
351.12338	7.2
353.10397	1.0
353.13962	4.1
365.14063	1.5
383.14941	11.6
383.18820	100.0
384.15231	1.0
384.19049	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	383.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.7
57.03446	2.9
58.00595	1.7
59.01385	51.0
61.98851	2.0
69.46189	7.1
71.01388	76.4
72.99303	3.9
73.02559	1.9
73.02956	28.1
75.00876	3.6
75.55651	0.9
81.03481	1.1
83.01396	10.8
85.02956	31.7
87.00864	5.0
89.02454	29.7
95.01401	5.0
97.02956	5.1
99.00890	16.6
101.02454	61.4
102.02790	1.5
111.00931	1.4
113.01729	2.2
113.02467	25.6
114.02757	1.1
115.04026	4.0
119.03514	4.6
125.02448	6.5
126.75641	1.0
126.76630	1.0
131.03537	4.7
133.05099	2.7
143.03510	2.9
149.03558	1.1
149.04552	6.6
159.03020	5.9
161.03267	2.3
161.04570	36.9
171.49210	1.1
171.82887	1.0
173.92134	1.1
177.01814	1.4
179.05679	1.8
191.05611	2.1
196.04387	1.1
233.06754	6.9
242.46274	1.0
249.06204	1.6
251.11383	93.2
252.11719	6.2
293.08691	1.1
331.32822	1.0
383.15625	100.0
384.16107	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	383.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55962	1.6
57.03438	1.9
59.01385	100.0
65.41267	1.7
68.87052	1.6
70.23888	5.2
71.01386	35.8
72.99300	3.8
73.02952	6.0
83.01389	3.4
85.02940	10.2
87.00862	5.9
89.02449	3.8
98.20018	1.8
99.00901	3.9
101.02435	14.6
101.06002	1.7
111.00880	3.6
112.98813	5.2
113.02489	8.2
116.74227	1.7
119.03532	2.4
128.01170	2.8
129.01888	2.3
129.05554	2.5
135.04539	2.6
141.99115	2.5
147.06639	25.6
159.02992	1.8
161.02454	2.6
161.04601	13.7
163.04010	2.2
172.00127	12.2
173.08180	5.1
176.04858	2.2
179.03500	7.2
194.05846	4.7
201.07661	4.5
209.08092	9.9
263.11328	23.4
291.10803	12.2
323.07803	6.0
383.09851	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	383.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.6
60.20452	1.6
61.48322	1.6
61.98844	2.2
71.55177	2.7
76.88470	2.1
82.31081	1.8
87.14686	1.8
89.83822	1.7
91.68620	2.0
101.02459	2.0
106.29121	2.0
107.05013	3.6
113.02510	2.3
119.05003	3.3
119.67207	1.8
119.98779	1.8
121.02959	6.8
138.03217	2.3
147.04555	2.4
175.07651	2.7
189.09247	13.4
201.09276	2.5
219.06599	2.8
225.09190	4.6
261.12943	2.8
263.10641	2.0
272.07303	1.9
277.12323	14.8
278.13062	10.8
291.10641	2.9
291.13864	34.6
292.14426	5.7
293.15503	100.0
294.15820	14.9
307.13373	19.3
308.13773	2.2
310.12247	2.9
313.19046	1.7
337.14456	64.9
338.14700	10.1
339.19003	3.5
341.11108	2.4
346.26718	2.0
354.82327	2.3
383.17712	6.0
383.22174	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	383.1502
Annotation	(-)-Furaquinocin E
Peak:m/z	Relative Intensity
59.01384	2.1
70.86112	2.4
71.01377	1.3
73.37945	1.0
73.78748	0.9
77.56301	0.8
84.29452	0.9
86.01686	0.9
89.02476	1.0
101.78541	1.0
107.05016	2.0
113.02461	1.1
121.02927	1.2
133.03024	1.2
133.13557	0.9
135.04541	1.7
161.46944	0.9
175.07640	1.3
177.01872	1.1
195.04614	1.1
198.03226	1.2
208.05284	3.2
208.77539	1.0
211.03928	1.8
212.04797	3.5
219.06644	2.2
219.11674	1.1
220.05194	1.1
224.04674	1.7
235.03871	1.4
235.11234	1.9
236.04767	1.7
237.05429	1.0
237.09218	2.6
239.10785	4.0
247.07503	2.0
248.08443	1.7
251.07176	1.4
251.16371	1.2
252.04173	2.2
263.07156	5.0
263.10764	20.5
264.04642	0.9
264.07358	1.4
264.11209	2.3
266.02228	1.7
266.09332	2.4
267.10352	5.4
279.03046	7.1
279.10294	2.2
280.03778	13.8
281.04150	1.5
290.09457	1.7
291.03091	2.6
291.10168	3.1
292.03778	1.4
305.11816	3.5
306.12534	4.3
307.06506	0.9
307.09793	26.2
307.13333	2.9
308.10156	3.5
323.12753	1.4
333.11392	7.9
334.08432	4.2
334.11935	1.5
335.09262	80.4
336.09735	10.6
339.12204	1.4
350.11594	75.5
351.11960	11.7
353.10065	1.6
365.13943	100.0
366.14279	15.2
368.12335	1.6
383.10315	1.4
383.15027	26.1
384.15265	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	383.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84357	0.6
59.01374	1.7
65.03957	1.8
67.01898	4.4
69.03459	1.0
69.53034	4.2
70.90286	0.7
71.01369	0.7
77.99206	0.7
79.05541	8.0
81.02998	0.9
81.03461	12.5
83.01359	0.7
87.00848	0.8
89.02419	0.6
89.03983	3.3
91.05556	1.0
93.03466	1.9
95.01410	1.2
95.05045	0.9
99.04501	1.9
106.04259	1.2
107.05035	28.8
108.02179	2.1
108.05378	1.3
109.02955	2.8
111.00919	1.0
117.03479	7.0
119.05035	3.8
121.02961	11.1
121.06593	1.7
123.00874	1.4
123.04523	3.5
125.02456	1.0
129.07108	1.5
130.04289	0.8
131.04959	1.0
131.08684	2.3
133.02946	1.9
133.06624	1.4
134.03745	8.5
135.04550	5.1
136.05296	4.0
138.03229	2.9
139.89970	0.7
143.05028	0.7
148.01657	1.0
149.02402	1.8
149.06094	11.8
150.03178	1.0
150.06425	1.0
151.04016	65.0
152.04347	2.6
153.05585	1.2
155.07158	1.1
156.05814	0.7
157.05132	2.1
157.06592	27.4
158.06946	1.4
159.04506	6.1
160.05246	1.8
161.02461	1.1
165.01933	1.8
165.05562	1.9
166.06303	1.3
169.06584	0.7
173.06104	1.2
174.06685	0.8
175.07651	100.0
176.07967	7.8
177.01967	1.2
180.04330	1.1
181.05125	1.3
181.08727	15.5
185.06148	1.2
187.04007	3.0
187.07631	1.7
189.09161	1.2
195.04350	0.7
195.06612	1.3
199.07703	1.5
201.05576	26.9
202.06093	3.3
203.07138	1.4
209.06059	1.1
211.07645	2.3
213.09201	3.3
214.06305	0.9
214.09505	0.7
217.08630	1.1
219.06625	2.4
223.07593	2.2
224.08147	0.7
225.09225	15.7
226.09587	1.9
227.07176	1.4
227.10718	1.4
228.11296	0.7
229.08687	2.4
235.07527	0.7
237.05621	1.1
237.09235	1.0
239.07127	1.8
239.10573	1.1
241.08693	2.7
243.10216	5.9
244.10564	0.8
246.31967	0.7
247.09767	1.0
251.07092	1.1
253.08722	0.9
257.11908	1.1
263.07144	1.6
263.10764	0.9
265.05017	1.0
265.08630	1.5
267.06592	0.7
267.10248	1.5
269.08182	2.4
273.08884	0.7
275.06839	0.6
275.38998	0.7
277.08649	2.6
278.09503	1.8
279.07089	0.6
279.10251	3.2
280.07471	1.2
281.08127	1.4
283.09622	1.0
286.04950	0.8
289.05524	0.6
289.08759	2.6
290.09372	0.9
291.06650	2.0
291.10291	2.5
292.06854	0.7
293.08304	1.8
295.09631	2.2
295.16177	0.8
305.08173	1.2
306.08795	4.0
307.09784	5.0
308.06839	1.1
308.10126	0.7
309.07935	0.7
309.11362	1.7
319.09720	5.0
320.10138	1.0
321.11319	59.6
322.11697	8.1
323.09247	38.6
324.09567	6.1
325.07086	0.8
325.10757	1.1
333.11511	1.6
335.09125	3.4
336.09937	2.8
337.10864	2.2
338.11636	6.9
339.12061	1.6
347.12582	1.4
351.12387	24.3
352.13052	3.4
353.10251	5.1
353.14001	9.4
354.14221	2.1
365.10294	0.9
365.14053	6.3
368.12650	1.3
383.15048	65.5
384.15378	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	383.1503
Annotation	Laccaridione A
Peak:m/z	Relative Intensity
51.24257	0.6
52.26125	0.7
57.62967	0.6
59.01385	100.0
60.01713	0.9
61.98834	1.0
71.01405	1.5
71.54642	1.2
78.23725	0.7
83.34853	0.7
99.19007	0.8
107.05052	2.3
115.08105	0.6
128.62254	0.6
137.49625	0.7
149.02446	1.8
161.02451	2.9
188.08400	1.2
204.07942	0.9
219.06819	0.8
220.38023	0.7
223.07671	5.8
224.08347	1.9
235.07690	0.9
245.09618	1.0
261.12793	1.6
277.12347	2.1
279.13925	8.7
280.14108	1.1
287.10831	2.5
305.11850	17.0
306.12225	2.1
323.12909	63.3
324.13232	8.1
354.97614	0.8
378.41544	0.9
383.15024	86.3
383.22839	2.2
384.15363	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	383.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.3
65.00329	1.6
68.45782	1.1
69.03428	1.3
69.70956	1.2
70.82909	2.8
70.83244	1.2
71.01397	3.4
81.03441	1.4
83.01444	1.6
83.05022	2.0
85.02934	1.7
87.00914	1.6
87.04546	2.2
88.41447	1.1
88.42155	1.1
89.02476	2.4
91.01918	2.2
91.03983	2.0
93.03495	2.4
94.44142	1.2
95.05047	7.7
95.50788	1.0
101.02442	2.8
107.05038	16.0
108.02135	1.8
108.05376	1.7
109.02982	1.4
113.02451	2.9
119.05052	4.3
121.02950	4.1
121.06605	1.8
122.03757	6.8
122.66398	1.2
123.08176	3.4
125.09766	1.3
131.05048	2.3
134.03748	2.7
135.04532	41.4
136.01657	1.7
136.05287	1.6
137.02437	1.5
147.04596	1.3
149.02477	2.9
149.06070	2.3
156.29768	1.2
157.06616	1.3
159.04488	1.2
161.02504	2.1
163.04010	1.5
169.06627	5.1
171.08200	8.2
173.09694	2.8
175.04039	1.9
181.10219	1.7
185.09659	1.5
197.11845	3.7
201.09218	1.2
204.11520	2.3
209.09715	2.6
209.15460	1.9
211.07680	3.8
212.08426	4.3
213.09230	35.8
214.09564	3.9
219.06874	1.4
223.07648	6.0
225.09224	46.9
225.14923	3.1
226.09952	20.9
227.10617	4.1
237.09241	2.4
238.09985	1.3
239.03502	1.5
239.07098	3.3
251.07153	5.0
251.16554	2.1
252.07764	1.6
253.08643	2.9
265.08719	1.5
277.12939	1.5
277.16000	12.3
279.13925	2.2
291.19690	5.7
293.15594	4.8
295.17035	100.0
296.17383	15.2
298.04489	1.5
303.14050	5.5
304.14444	1.7
307.17090	5.4
309.20740	9.3
321.14951	57.5
322.15305	8.6
325.18088	1.9
338.08051	1.7
339.12708	1.7
339.16010	40.5
340.16425	7.3
341.10812	1.8
347.12735	7.0
348.13217	1.5
353.10580	1.7
365.13919	40.5
365.21231	3.2
366.14313	6.5
383.14993	48.6
383.22290	87.9
384.15515	5.7
384.22620	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	383.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74585	0.5
59.01382	2.0
61.98832	0.8
63.08440	0.6
67.01888	2.2
69.25745	1.5
69.26150	4.8
71.01398	0.6
83.05038	0.8
94.26345	0.7
95.05035	1.2
103.09509	0.6
107.05052	10.1
108.02209	1.1
114.94038	0.7
119.05031	1.9
121.02880	1.1
122.03757	6.1
131.05008	3.8
134.03761	1.1
135.04469	1.0
136.05254	1.2
148.01677	1.2
148.05263	1.6
149.02460	1.1
151.00362	0.7
161.02473	1.1
164.01144	1.8
169.01706	0.7
169.06628	0.7
171.04581	0.8
171.08170	3.0
172.05356	0.7
173.02473	1.1
173.06096	0.7
175.07695	2.9
177.01747	0.8
186.06857	1.4
200.08463	0.8
201.05595	2.9
211.07707	2.0
212.08423	1.9
213.09227	40.2
214.09514	3.3
218.05849	1.8
223.04021	1.2
223.07697	1.7
225.09215	9.9
226.09483	1.2
227.10811	3.9
228.11182	0.8
239.03528	0.9
239.07062	0.9
239.10794	14.6
240.11118	1.4
244.07381	2.1
251.03506	1.2
253.08771	0.9
265.12402	5.5
267.02969	6.3
277.12387	10.6
278.09647	0.7
278.12570	1.6
279.02982	10.9
280.03391	1.1
281.04480	1.4
286.04742	1.4
291.13956	2.7
293.15494	4.0
294.09079	1.0
303.13931	9.9
304.14322	2.0
305.08154	1.0
307.06287	0.9
307.09952	1.0
321.11377	1.8
321.14938	3.2
322.08493	1.7
322.15076	0.9
323.09085	1.5
337.10837	19.1
338.11099	3.0
339.16077	4.9
347.12985	1.6
350.07785	1.6
351.08609	1.3
365.10104	5.0
365.14224	3.4
383.11148	36.6
383.15036	100.0
384.11450	6.1
384.15411	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	383.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49857	0.8
59.01382	4.9
61.98835	1.2
65.00336	1.3
65.03958	1.2
67.01899	4.3
70.72321	0.9
71.01369	1.2
71.54870	1.2
75.77750	0.9
78.69849	1.0
79.05543	3.0
81.03473	9.7
83.01408	1.3
89.02479	1.2
89.03994	1.5
91.51804	0.9
93.03459	1.6
94.76691	1.1
95.01379	1.1
99.04565	1.3
101.02448	2.2
101.26326	1.0
103.04016	1.7
106.04214	1.4
107.01418	1.3
107.05045	26.8
108.02197	3.6
108.05411	1.7
109.02976	3.0
111.00877	1.9
113.02474	1.3
117.03483	5.9
119.03584	1.2
119.05038	11.6
121.02976	11.1
121.06625	1.9
123.00899	2.4
123.04552	4.7
125.02470	1.5
129.07098	2.1
129.41856	0.9
130.04187	1.2
131.08685	1.5
133.02859	1.8
133.06628	1.3
134.03758	6.1
135.04544	3.2
136.01668	1.8
136.05293	4.3
149.02495	1.8
149.06099	11.8
151.00372	3.4
151.04024	53.2
152.04370	2.7
156.05791	1.1
157.05182	2.3
157.06596	24.0
158.03769	1.0
158.06923	1.6
159.04539	6.4
160.05188	1.2
161.02475	1.7
164.01259	2.5
165.02008	1.2
165.05637	1.3
166.02747	1.3
171.04480	1.3
171.10243	1.2
173.06073	2.6
174.03210	1.3
175.07657	100.0
176.07982	7.2
180.04213	1.2
181.05084	2.1
181.08707	11.5
185.06158	1.1
187.04025	4.0
187.07593	1.8
189.09184	1.2
196.00168	1.9
199.04015	2.6
201.05589	20.1
201.07333	1.9
202.06050	2.3
209.06073	1.3
209.15549	1.0
213.09250	4.1
215.07155	1.5
217.08719	1.2
219.06691	3.2
223.07452	1.6
225.09233	12.0
226.09467	1.6
227.07167	2.1
239.07050	1.2
240.08003	1.2
241.08757	2.3
243.10271	5.0
245.02707	4.0
245.08208	3.4
249.09143	1.6
251.06975	1.5
253.08714	1.6
254.09340	1.1
257.04254	1.1
263.07016	1.4
265.04984	1.7
265.08551	1.9
269.08133	3.9
277.08731	2.9
277.12296	1.7
278.09366	1.9
279.06586	1.4
279.10309	2.5
280.10278	1.0
285.04144	6.7
286.04865	7.7
289.08737	1.7
291.06744	2.3
291.10175	1.1
291.19891	1.2
293.08505	1.3
295.09796	3.5
296.06741	2.0
305.08130	1.2
306.08997	3.6
307.09714	4.7
307.13040	1.1
309.20700	4.1
310.08621	1.4
319.09753	3.2
321.11340	49.0
322.08511	1.3
322.11673	5.5
323.09277	32.4
323.12784	1.6
324.06268	3.0
324.09747	3.7
335.09351	3.2
336.10074	3.0
337.10822	2.8
338.11517	6.3
339.12360	2.3
341.10654	1.2
351.08459	1.8
351.12408	18.1
352.12686	3.9
353.10217	4.3
353.14020	9.1
354.10745	1.4
365.10394	5.5
365.14621	8.2
366.14517	1.4
368.12796	1.3
383.11081	10.5
383.15039	58.6
383.22864	1.9
384.11395	2.1
384.15366	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	383.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	10.4
61.53518	1.0
71.01383	3.8
75.17242	0.9
76.58259	0.9
83.05042	2.4
87.00882	8.9
88.04049	1.3
89.02467	3.0
93.03466	3.7
97.06603	19.4
98.06987	1.2
101.02467	1.8
101.26451	1.0
105.03499	1.0
107.05048	6.1
109.02995	1.2
111.04536	3.8
113.02426	2.8
113.06111	1.1
119.03519	1.0
119.05018	2.5
121.02965	45.2
122.03795	15.9
123.04528	3.5
132.03050	2.0
135.04543	3.7
137.02466	3.8
139.03987	1.0
143.42357	0.9
147.04544	18.0
148.05360	5.6
149.02449	1.1
149.06145	1.9
158.85921	1.0
163.04027	14.8
164.04803	100.0
165.05141	6.6
179.07150	81.0
180.07513	4.3
191.03482	5.7
191.14484	2.5
192.04295	3.2
200.53096	0.9
201.09218	2.5
205.05130	1.9
217.08737	1.1
219.10199	2.0
261.11292	2.8
265.14517	1.3
285.28979	1.1
289.10910	2.5
321.13559	1.7
323.11423	11.4
323.14990	1.4
324.11765	1.1
347.17145	1.6
351.10986	4.1
353.88174	1.2
365.12582	1.3
383.13562	61.9
384.13931	8.7
384.20386	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.135
Annotation	Spicatolide G
Peak:m/z	Relative Intensity
52.92212	0.6
52.92500	0.5
57.63630	0.5
59.01380	1.7
66.09354	0.5
68.99795	0.6
71.01374	0.7
71.05020	0.9
71.55521	0.6
81.03458	0.8
83.05027	2.0
87.00883	17.3
91.05550	1.5
93.03457	3.6
95.05049	1.4
97.06598	34.2
98.06932	1.4
103.05550	0.7
104.63187	0.5
105.03436	2.2
107.05033	9.3
108.02223	0.7
109.02978	0.7
111.04523	4.3
112.05313	2.0
113.06127	1.1
119.05030	2.4
121.02967	70.5
122.03770	24.9
123.04568	5.4
135.04567	3.0
137.02440	3.4
139.04036	1.6
142.66446	0.6
147.04533	27.0
148.05342	7.8
149.02414	2.8
149.06061	2.3
163.04027	20.4
164.04811	9.6
165.05540	2.4
188.17065	0.5
191.03526	10.1
191.14464	0.8
192.04294	7.7
193.04999	2.3
201.09259	3.1
210.15547	0.6
210.93744	0.6
219.10233	5.0
245.11757	0.7
261.11310	2.3
285.70721	0.5
289.10895	2.9
291.08945	1.2
307.11917	1.3
321.13528	1.8
323.11380	14.6
324.11646	2.0
351.10815	5.9
352.11334	0.8
365.12256	1.0
383.13498	100.0
384.13815	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	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	5.3
59.01387	25.7
60.57177	3.4
71.01373	16.6
71.54630	3.6
72.99310	12.8
73.02953	6.5
75.00880	3.2
77.53655	2.7
80.96516	3.8
83.01405	2.6
85.02952	3.6
87.00871	15.5
89.02473	4.3
99.00963	4.2
101.02454	6.1
103.00381	8.6
109.02984	6.2
113.02516	3.9
115.00316	3.7
117.03468	5.0
119.03537	3.6
134.03780	7.4
134.05833	2.9
135.04520	10.5
136.25839	2.9
137.02449	14.8
145.02989	11.5
146.03755	100.0
147.04132	8.8
148.05273	4.4
149.02551	3.9
149.06099	4.9
150.06845	3.9
161.02420	8.1
161.06097	50.5
163.03938	4.6
163.07611	3.2
164.04787	8.4
172.05380	3.2
175.03983	4.1
175.07672	6.3
177.05589	5.0
177.09189	6.0
178.06380	7.2
179.03551	26.5
179.07152	90.7
180.07501	4.5
187.07625	5.0
188.04710	4.1
190.06264	4.9
193.05080	4.4
201.09192	6.2
203.07071	8.6
205.08731	11.6
206.83026	3.8
210.51842	3.4
215.07126	4.2
217.08818	4.4
219.06573	3.6
219.10245	6.1
229.08665	4.5
230.70955	3.1
233.08292	7.1
255.10625	8.7
259.09741	6.2
277.10776	8.9
303.08600	4.8
351.10876	5.1
365.08597	6.9
383.09656	31.9
383.14255	19.1
384.09821	3.4
384.14200	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	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.1
61.29782	0.6
69.44926	1.3
69.45335	3.4
71.01388	2.1
71.05039	1.1
73.02946	1.2
81.02441	0.6
83.05045	1.8
87.00884	22.4
89.02414	0.8
91.05549	1.7
92.11358	0.6
93.03472	6.2
95.05051	0.7
97.06605	14.6
98.20697	1.3
101.34799	0.8
103.05556	0.8
105.03484	2.3
107.05039	20.8
108.02184	1.3
108.05424	0.7
111.04548	2.6
112.05308	18.5
113.02504	1.1
119.05013	2.9
121.02966	59.3
122.03796	11.8
123.04513	2.5
130.99857	1.9
135.04543	2.9
136.05328	1.8
137.02435	5.2
138.72121	0.6
139.04016	1.4
143.05037	1.9
145.06551	0.8
146.03738	2.3
147.04532	31.8
148.05334	5.9
149.02490	1.9
149.05890	0.7
158.09833	0.6
161.02486	1.2
163.04024	19.8
164.04810	10.3
165.01984	0.8
165.05589	1.9
165.54140	0.6
172.05260	1.3
175.03993	0.7
178.06372	6.9
179.07152	6.6
180.07434	0.7
191.03506	10.1
191.14429	4.9
192.04257	8.1
193.04922	1.2
194.02258	1.2
201.09212	11.3
202.06093	0.6
203.14464	1.0
219.10258	2.4
235.13309	0.9
251.12921	1.0
253.09100	1.2
254.04251	2.1
254.09323	2.0
254.79828	0.7
261.11301	1.8
265.14355	1.2
276.24240	0.7
289.10892	1.6
291.08719	2.0
294.74017	0.7
318.11813	0.7
323.11386	15.4
324.11755	1.5
351.10916	9.6
352.11179	1.3
383.13483	100.0
384.13852	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	383.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77094	0.9
59.01397	5.7
61.98827	1.6
63.80439	1.1
65.00323	2.4
67.01891	2.6
67.49529	0.9
69.94013	5.4
71.01385	1.5
79.05529	1.1
80.46629	1.0
83.01372	1.8
83.05049	1.0
87.00886	0.9
89.02483	1.2
96.52569	1.2
97.02936	1.3
97.62423	1.0
107.01421	3.4
107.05038	7.5
108.02206	4.0
119.05028	5.4
121.02989	2.2
122.03775	3.6
123.00925	1.2
131.05075	3.0
134.03761	2.5
135.04562	2.0
136.01691	2.7
148.01633	2.8
149.02338	1.1
151.00403	3.5
157.06589	1.7
161.02501	1.1
163.00400	1.3
163.07664	1.0
164.01164	6.2
171.04494	1.6
171.08160	2.4
173.02502	2.8
174.03201	1.3
175.04111	1.9
175.07661	8.7
176.07973	0.9
177.01793	1.3
185.06180	1.6
189.05518	1.4
196.00136	6.2
199.04047	3.0
201.01949	2.7
201.05618	2.1
211.07697	3.2
212.08278	1.3
213.09225	25.5
214.09540	2.6
223.04160	1.2
223.07672	2.8
225.09256	7.5
227.03572	2.3
227.10883	2.4
237.09061	1.0
239.03450	1.8
239.10837	9.6
240.11150	1.5
241.05110	2.0
244.07433	3.9
245.02670	2.8
245.07948	1.0
251.03484	1.4
257.04431	1.4
258.05185	1.0
264.07913	1.3
265.12354	4.0
267.03030	13.1
268.03583	3.8
270.05249	2.2
277.09341	1.3
277.12354	8.2
278.12848	1.2
279.03009	22.3
280.03406	2.0
281.01276	1.6
281.04562	3.0
285.03802	8.0
286.04816	10.2
293.11969	2.4
293.15439	2.9
294.09094	1.5
303.13962	7.9
306.08939	1.5
307.02600	1.6
309.11230	1.4
309.20773	3.8
321.07858	1.5
321.11328	4.4
321.14828	2.3
322.08484	3.8
323.09338	3.2
337.10858	38.8
338.11172	5.0
339.12195	1.4
339.16098	3.3
347.12759	4.6
350.08072	3.1
351.08710	1.6
360.97360	1.6
365.10123	11.1
365.13843	5.9
366.10269	1.5
383.11334	100.0
383.15182	53.9
384.11642	15.9
384.15527	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	383.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67342	0.8
59.01382	5.2
59.07608	1.0
63.58145	0.8
71.01396	2.7
71.14835	1.6
79.05551	1.6
83.01419	0.9
83.05057	1.3
89.02455	1.6
101.02437	1.7
105.03469	2.4
107.05035	4.7
109.02948	1.0
111.08185	1.8
113.02444	1.2
119.05032	1.1
131.05029	1.4
135.04533	3.1
136.05275	2.0
137.02452	1.4
145.02879	1.3
151.00209	1.0
157.06612	1.4
161.02411	1.7
162.03212	1.4
169.06633	1.1
171.08266	1.4
173.06087	2.2
173.72153	0.9
175.04016	1.4
175.07652	3.3
177.05415	1.0
183.08145	2.3
189.09241	2.0
195.08273	1.3
197.11839	3.1
198.06880	1.1
199.07643	2.4
201.09143	1.1
207.08261	1.3
209.06131	1.6
211.07643	2.8
211.13354	1.7
213.09149	2.8
223.07605	6.2
225.09230	10.9
227.07175	13.1
227.10712	8.9
228.07564	1.4
235.07678	1.3
237.05550	1.3
237.09227	1.1
238.06056	1.2
239.03587	1.4
239.07091	1.3
239.10756	2.0
240.07951	2.0
241.05153	1.2
241.08679	3.8
251.07191	9.6
252.07895	3.6
253.05397	1.1
253.08672	7.6
255.02992	1.5
265.08832	1.7
265.12137	1.4
266.09372	1.3
267.06659	3.8
268.07336	4.6
269.08218	34.6
270.08548	4.1
277.05191	1.2
277.08823	1.2
279.06543	2.5
280.07419	3.6
281.04691	2.3
281.08154	1.7
282.05200	1.3
282.08957	1.3
283.09668	1.4
291.19666	3.2
293.08215	3.6
294.08847	1.7
295.06219	15.4
295.09665	2.8
296.06912	21.3
297.07642	38.4
298.08002	3.5
301.12451	1.4
303.13736	1.2
309.07736	1.2
309.11313	2.3
309.20697	3.1
310.08469	8.2
311.09268	100.0
312.09955	48.8
313.10431	4.6
322.08771	1.8
323.09360	2.5
325.10803	28.2
326.11264	3.1
327.12329	1.8
337.10791	3.9
340.09473	1.8
347.12909	3.1
353.10382	1.9
355.11887	73.3
356.12250	11.4
365.14008	11.3
366.14420	1.2
382.98511	1.7
383.11121	11.4
383.15042	18.9
383.22357	1.5
384.11365	2.2
384.15567	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	383.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.98830	0.6
87.77941	0.4
89.02473	0.5
107.05032	4.1
109.06603	6.5
113.02450	0.6
119.05025	0.8
122.03799	0.5
130.90550	0.5
131.08620	0.5
131.92032	0.5
133.02884	0.7
134.80739	0.5
135.03508	0.8
135.04538	15.9
136.04803	0.8
149.86989	0.5
151.00362	0.6
157.06657	1.1
159.08185	1.5
169.10248	0.5
171.08308	0.5
171.97394	0.4
172.08904	1.0
173.02280	0.6
176.01189	0.8
176.04805	0.6
187.07767	0.8
190.10039	1.6
191.79974	0.5
193.82912	0.4
197.02872	1.1
212.08510	0.7
213.05676	0.5
213.09227	1.7
223.07785	0.7
225.09254	8.9
226.09972	8.5
226.12024	1.0
227.10384	0.7
237.09293	0.8
237.12827	6.4
238.13306	0.6
247.11388	0.8
255.06575	1.0
263.14420	4.6
264.14752	0.9
267.06580	0.6
269.74155	0.6
279.13937	0.9
281.15485	31.3
282.15778	4.2
305.11966	0.8
307.13422	39.3
308.13718	5.6
325.14471	100.0
326.14841	15.2
326.18585	0.4
357.11243	0.7
365.13907	8.0
366.14056	1.2
383.10013	3.4
383.15100	5.6
383.22653	2.3
384.15338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.8
59.01382	47.0
65.95042	3.7
71.01392	32.9
71.54021	3.0
71.54469	4.5
72.99323	4.8
73.02965	3.1
75.00872	5.2
83.01363	6.4
85.02963	8.2
87.00905	22.4
89.02473	3.8
93.03486	4.5
97.02979	4.3
97.06612	6.6
99.00893	64.7
101.02443	8.4
103.00417	3.6
104.53381	3.2
107.05129	3.2
109.02956	19.7
111.00857	3.6
113.02451	8.2
119.05058	4.8
121.02998	19.8
123.04540	5.6
125.02431	3.8
133.06660	4.4
134.03709	4.8
135.04544	35.1
137.02452	50.4
138.03192	6.2
139.00394	5.8
145.02968	4.5
146.03799	5.6
147.04539	24.4
148.05275	4.9
149.02461	11.8
149.06044	7.5
151.03992	9.4
158.51535	3.7
159.02974	5.2
159.04546	10.6
161.02493	24.6
161.06084	14.9
162.03177	12.1
163.00394	4.8
163.04012	30.0
163.07637	4.9
163.54929	3.7
164.04803	14.9
165.01897	5.4
165.05582	6.5
171.04578	4.1
172.05344	7.0
173.02434	13.8
173.05930	3.6
174.03226	9.8
175.04004	54.5
175.07648	11.5
176.04643	11.1
177.01945	50.3
177.05597	30.8
178.02591	10.8
178.06306	19.7
179.03519	100.0
179.07127	37.3
180.04140	7.1
187.04033	21.6
187.07611	6.1
188.04819	36.4
189.05605	31.6
190.02750	13.9
190.06343	42.4
191.03532	22.1
191.07047	6.0
192.04315	52.2
193.05081	25.1
193.08676	8.4
194.05721	7.9
199.02357	3.6
199.04022	13.7
200.04678	6.6
201.05530	6.5
201.09233	11.8
203.03510	79.3
203.07158	39.3
204.04045	9.3
204.07721	8.5
205.01445	15.1
205.05035	26.8
205.08685	12.0
206.05823	7.5
207.03067	8.5
207.06647	91.8
208.07207	13.0
214.06416	7.9
215.06973	6.0
216.04260	5.2
217.05074	39.9
217.08615	10.2
218.05833	37.9
219.03004	31.5
219.06557	11.7
219.10266	41.9
220.03839	24.5
220.07410	10.2
221.04529	8.1
221.08209	8.8
221.11768	4.0
223.06039	4.2
223.09787	9.6
224.03307	10.7
225.07678	4.8
229.05045	4.3
229.08720	12.4
231.03008	9.9
231.06584	5.3
232.07411	31.7
233.00931	6.2
233.04617	6.3
233.08136	30.1
234.05334	27.0
235.06154	46.6
235.09712	8.4
236.06635	4.5
237.07759	7.4
244.07471	4.9
245.04541	5.7
245.08124	4.0
246.05376	4.9
247.09761	82.0
248.03325	8.0
248.10117	10.2
249.04028	14.5
249.07716	72.9
249.13428	6.0
250.07980	7.2
251.09242	47.6
254.40782	4.3
259.09772	6.8
261.07635	31.7
262.07916	6.8
263.05576	13.7
265.07193	39.2
266.07574	4.6
273.07767	9.7
277.07498	4.4
277.10782	8.3
279.08765	33.0
280.09070	4.4
281.06720	54.8
282.06909	4.7
291.08774	6.9
295.08282	10.5
295.11554	7.4
300.49170	3.3
303.08728	9.9
321.09790	9.9
323.07718	46.4
323.11374	8.6
324.08200	5.1
339.10648	9.6
351.10925	20.4
365.08612	8.2
383.09723	89.0
383.13745	23.6
384.09848	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	381.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.03484	11.3
71.55147	11.2
85.02941	15.1
95.05028	11.3
96.95992	27.3
99.18870	10.5
107.05032	15.2
119.04975	15.5
135.04532	29.8
149.02344	9.0
158.89273	8.5
174.99306	17.0
217.00352	80.5
223.07690	17.4
225.09145	30.9
237.09369	15.4
237.93936	10.1
239.10805	11.8
251.07106	10.6
293.15601	15.0
301.10989	12.3
309.04108	34.5
319.13229	15.9
337.10651	13.3
345.11066	11.5
363.12436	61.8
364.12552	11.6
366.07266	20.3
381.09521	35.7
381.13425	99.3
381.18411	12.5
381.21063	18.4
381.27005	19.2
382.13925	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	382.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01728	1.5
60.51764	0.7
69.74941	4.5
77.62789	0.8
80.04321	0.7
88.22337	0.9
180.54062	0.8
352.05933	0.8
361.04922	0.9
382.13641	0.8
383.22263	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	383.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62510	0.7
57.01102	0.7
59.01381	5.3
68.99827	1.1
70.11552	3.2
71.01389	1.8
76.48558	0.6
79.05546	1.1
81.03484	1.0
83.01414	0.7
83.05044	2.7
89.02461	0.9
93.03459	1.7
96.95956	0.8
107.05042	2.7
108.02196	0.7
108.66994	0.7
119.05088	1.7
121.02966	100.0
122.03193	3.6
125.02423	0.7
136.01663	1.4
137.62183	0.6
145.02960	1.3
147.04538	2.3
149.02449	3.0
157.06665	0.9
159.04524	1.0
162.89340	1.0
163.04027	1.0
165.01750	0.7
171.04608	1.0
171.08246	0.8
173.02475	0.9
175.07661	8.9
179.51723	0.7
181.06575	5.5
185.15488	0.7
187.04024	0.7
187.07631	3.0
188.07997	0.8
191.03514	9.8
201.05580	1.4
211.07751	0.9
213.09248	17.8
214.09579	1.0
223.07753	1.0
225.05595	8.7
225.09215	1.7
239.10747	2.1
251.07146	3.8
252.07336	0.8
253.05070	2.5
265.05066	1.7
269.07852	1.0
289.08694	1.1
290.09149	1.3
293.04678	0.7
293.08221	2.2
293.15399	1.5
295.06165	11.8
296.06424	1.8
305.11807	1.1
307.09778	6.5
308.10248	1.4
311.09259	15.6
312.09518	1.9
313.07227	20.7
314.07504	2.3
321.07614	1.5
323.09586	1.0
323.12790	4.5
336.10065	4.7
339.08771	15.4
340.08960	2.7
347.12946	1.0
351.08862	1.0
351.12396	7.2
351.15976	1.3
352.12402	0.9
365.10120	1.2
365.13937	7.8
383.07574	24.3
383.15112	13.5
383.18939	1.8
383.22501	1.7
384.07919	3.3
384.15561	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.7
69.54909	3.1
71.49595	0.4
73.91913	0.4
98.19991	0.7
101.06158	0.5
111.38875	0.4
123.02967	0.4
123.04508	0.5
135.04596	0.6
138.06915	0.7
139.07593	0.4
149.06097	1.0
151.05545	0.4
151.07692	1.3
170.05853	4.5
174.99266	0.5
192.11630	0.6
199.13490	0.7
217.00310	1.8
225.09235	0.7
233.19147	1.8
235.20706	1.6
251.20226	3.3
259.17133	0.6
261.18649	0.5
263.24756	0.4
265.18060	0.5
277.18103	81.2
278.18420	9.1
279.19653	26.1
280.19992	2.6
295.19150	100.0
296.19510	11.8
296.22855	0.7
306.18195	0.5
335.26160	0.5
345.24158	0.8
363.25409	16.7
364.25745	2.5
381.16931	1.9
381.21368	0.7
381.26465	6.2
382.22070	0.4
382.26788	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50087	0.8
57.55661	0.6
59.01385	4.3
61.98559	0.7
61.98875	2.4
68.95879	0.6
71.55418	1.1
71.55785	0.7
78.95957	1.9
83.05059	1.8
107.05158	1.0
135.04590	2.9
149.06134	1.3
151.07692	2.2
152.99655	3.1
165.07556	0.7
170.05867	4.1
170.86674	0.7
199.13460	1.2
211.07727	1.1
212.08429	0.9
213.09178	0.8
217.00360	3.3
225.09210	4.3
226.09988	4.8
227.10744	3.9
233.19159	1.6
235.20612	0.9
237.09267	1.9
241.12474	3.5
251.20166	3.1
255.10417	1.0
277.18100	82.6
278.18460	9.3
279.13843	1.0
279.19675	26.2
280.20050	2.3
281.15479	4.4
293.15411	3.0
295.19153	100.0
296.19495	11.5
319.17020	2.3
325.65118	0.9
337.17944	5.2
339.16028	0.8
345.24283	1.2
363.25406	16.4
364.25729	2.1
381.16989	28.2
381.20706	1.9
381.26300	7.3
382.17343	4.3
382.26694	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	381.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.9
67.64165	0.4
68.38120	0.4
71.05035	0.6
81.03451	0.5
99.72603	0.4
112.23488	0.3
122.03762	1.6
126.08902	0.4
127.11355	0.7
150.03340	0.4
151.11359	0.8
153.12892	3.7
161.02469	0.8
162.19366	0.3
163.11285	1.5
165.12834	4.6
166.13155	0.5
170.05875	3.0
171.08205	0.7
179.10794	11.8
180.11166	0.8
181.12361	36.7
182.12685	2.7
186.24884	0.4
192.11649	0.5
195.10281	2.9
197.11844	2.6
199.13412	100.0
200.13770	6.5
213.09244	5.0
214.09464	0.6
215.12901	1.4
217.00302	2.0
225.09265	0.4
237.09154	0.5
239.07173	0.6
241.08727	13.6
242.09045	1.6
253.08714	0.6
306.18790	0.4
363.20599	0.8
363.25400	4.5
364.25766	0.8
381.11627	0.6
381.20731	4.9
381.26474	4.5
382.21011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32977	0.5
59.01386	100.0
60.01720	1.0
66.55693	0.5
68.37111	0.5
69.30487	3.1
69.30912	1.7
72.63768	0.5
77.85838	0.6
97.50195	0.5
101.83339	0.6
102.70032	0.5
113.42801	0.6
181.72000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.37988	0.5
60.01706	1.3
71.01382	3.8
71.55233	0.7
73.02972	1.5
75.00893	1.5
85.02988	1.6
87.00903	0.7
89.02471	2.0
101.02444	3.1
105.03478	1.4
107.11339	0.5
111.00851	0.5
111.04552	0.5
113.02480	1.8
119.03577	0.8
133.02965	3.5
143.03569	0.7
149.02461	1.1
158.06134	0.6
161.04605	1.4
164.04811	0.6
176.01204	0.6
177.01941	35.6
178.02351	2.2
181.05109	1.6
279.14697	1.4
321.06326	0.7
321.15646	1.6
344.68021	0.5
349.68979	0.4
356.20291	0.5
363.12915	1.1
374.45178	0.6
376.80133	0.5
381.08395	2.6
381.12799	1.0
381.17490	1.5
381.21771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2076
Annotation	Gancaonin R
Peak:m/z	Relative Intensity
52.34784	1.0
57.03456	1.1
59.01387	11.3
67.01917	0.9
68.91934	1.0
71.55250	1.2
77.28474	0.9
78.95934	1.1
79.94519	1.0
81.03464	1.6
83.05027	2.7
90.89075	1.0
100.02195	1.0
106.94451	0.9
107.05025	0.9
112.68918	1.1
121.06616	3.3
122.03769	1.0
135.04593	1.8
136.05310	7.2
140.54095	0.9
152.99649	2.6
161.02518	2.1
163.11288	1.3
168.81157	1.1
171.08165	1.7
173.06070	1.7
173.09769	2.0
174.99316	1.6
175.07703	1.5
178.75836	1.0
187.07664	1.3
199.13478	1.8
213.09315	4.5
217.00339	10.6
225.09222	9.6
226.10013	1.9
227.10780	28.2
228.11229	2.5
237.09227	5.0
237.62390	1.1
239.10789	10.7
246.01759	1.1
251.10745	6.9
253.12408	2.7
265.12378	2.3
275.14499	1.7
281.15472	1.2
293.15512	35.0
294.15991	4.0
295.19342	1.7
303.14038	3.3
305.15585	3.7
305.21371	1.5
309.18121	1.0
319.17068	1.5
323.16537	8.1
337.18192	3.5
345.18707	2.9
351.19965	1.5
363.19684	23.5
363.25446	2.8
364.20154	2.6
365.17590	1.4
381.16995	6.1
381.20837	100.0
381.26389	6.7
382.17239	1.2
382.21133	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	381.1709
Annotation	ROTIORINOL A
Peak:m/z	Relative Intensity
59.01385	6.1
70.83614	0.7
71.54896	0.9
72.62595	0.6
99.92602	0.8
107.05026	1.2
116.92870	1.1
163.11307	1.1
175.82045	0.7
180.05769	1.0
181.12367	0.8
199.13383	2.6
209.09743	0.8
209.11823	0.6
210.06729	0.9
211.07651	0.7
212.19156	0.7
217.00339	5.5
223.07652	100.0
224.08035	8.4
227.30417	0.8
233.06180	0.9
235.07645	11.7
236.08049	1.5
237.09195	3.3
238.10007	4.1
239.10709	1.8
270.09048	1.1
277.12341	3.7
279.13828	0.7
293.15286	1.5
295.19171	1.3
306.67639	0.7
307.16980	3.3
319.17001	1.7
321.14905	2.6
337.18100	45.1
338.18387	6.6
381.17026	73.0
381.26477	6.1
382.17395	10.9
382.26657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97891	1.5
57.44471	1.5
59.01384	7.5
59.94493	1.4
59.96699	2.9
60.41911	1.5
61.54014	1.8
61.98823	4.0
62.20522	1.5
65.92416	1.4
71.54536	3.9
72.62007	1.6
74.99082	30.2
75.96265	2.0
91.02222	51.5
93.00156	15.2
96.58018	1.9
104.83453	1.6
124.14597	1.6
132.83627	1.6
143.05313	2.0
145.71964	1.6
159.08481	100.0
160.08690	6.6
161.06415	13.6
172.82564	2.1
217.00223	5.0
218.79385	1.6
277.05133	1.6
365.10773	3.2
381.20068	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	381.171
Annotation	Penicitrinol A
Peak:m/z	Relative Intensity
59.01373	1.6
61.98827	0.6
64.78734	0.5
71.55567	1.1
79.05540	1.5
82.76102	0.5
83.05039	5.4
96.18787	0.5
98.21577	0.5
98.94846	0.5
107.05028	4.6
108.05403	0.6
112.32890	0.6
135.04539	11.5
136.04968	0.5
149.06113	0.7
151.03882	0.5
152.99600	0.5
169.00549	0.5
174.99245	0.6
180.17143	0.6
211.07700	0.6
212.08330	2.9
213.09126	0.9
217.00304	1.6
225.09236	14.2
226.10007	16.9
227.10699	4.8
228.11098	0.6
237.09203	4.1
238.09799	0.6
239.10594	0.7
240.54852	0.5
241.12337	14.3
242.12621	1.7
253.12267	1.0
255.87247	0.5
277.18094	2.0
278.13174	1.7
279.13971	2.9
279.19699	0.8
281.15482	13.8
282.15820	2.0
293.15463	10.8
294.15793	1.5
295.19232	3.3
303.13635	0.9
305.15427	1.2
309.18570	0.9
317.15469	1.6
319.17035	6.8
320.17493	0.9
337.18094	12.4
338.18518	2.3
346.73758	0.6
381.17087	100.0
382.17413	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	381.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.3
55.76017	1.5
56.33028	1.0
57.03446	4.1
58.53934	1.1
59.01384	100.0
60.01705	1.9
61.98823	2.1
67.01877	1.8
68.56139	1.3
68.99817	2.3
70.21278	2.5
70.21693	3.4
71.01386	32.0
71.05007	1.5
72.00885	1.3
72.99324	3.1
73.02951	7.4
74.13813	1.1
74.15033	1.1
83.01382	3.9
84.34105	1.1
85.02959	20.2
86.99842	1.2
87.00880	8.4
89.02462	13.5
91.04002	2.1
95.01398	3.8
97.02948	1.9
99.00887	4.4
99.04533	2.8
101.02457	13.9
103.00324	1.2
111.00883	2.7
112.01675	1.6
113.02463	19.9
115.04013	2.4
117.05596	53.3
118.05917	3.2
119.03471	2.6
123.04527	2.2
125.02427	2.5
129.01944	2.2
131.01688	1.6
131.03471	2.2
132.04573	1.3
134.04672	1.3
139.00407	1.5
143.03481	2.4
146.08220	1.7
149.04593	2.0
159.02971	1.5
159.06673	3.4
161.04581	7.2
162.71030	1.7
176.03542	3.7
177.01987	2.5
181.07828	1.5
183.06590	2.1
201.07739	1.6
205.07196	4.2
220.02711	1.4
243.29089	1.3
249.09917	8.5
261.08829	1.8
263.04950	1.9
263.07748	31.0
281.08749	2.7
287.39096	1.3
321.11896	2.0
323.09973	7.6
323.13165	2.0
328.71460	1.5
334.88596	1.3
363.09506	2.8
381.10556	3.6
381.14047	54.0
382.14282	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	381.1346
Annotation	Gancaonol A
Peak:m/z	Relative Intensity
51.22820	0.4
53.50697	0.4
59.01383	2.8
61.98817	0.4
65.00324	0.9
65.03946	0.5
67.55881	0.4
69.46794	1.0
69.47208	2.1
70.25924	0.4
77.85214	0.4
91.01919	0.8
107.05035	1.1
108.02150	0.6
109.02937	0.6
119.05029	3.5
121.02976	0.7
131.04979	0.5
132.03506	0.4
133.02986	0.6
134.03725	1.0
135.04530	16.2
136.01656	1.5
136.04868	0.6
137.02431	1.5
143.05049	1.7
144.05833	2.0
145.02957	1.0
145.06543	0.4
149.02449	0.9
151.04015	0.5
157.06587	7.4
159.04556	0.8
159.08165	15.4
160.08467	1.1
161.02440	1.8
162.03195	1.7
163.00430	1.0
163.04056	1.4
163.07597	0.5
171.86086	0.4
174.81496	0.4
174.99197	0.4
175.07666	1.7
176.01198	0.8
177.01859	0.5
177.05582	1.4
185.06096	0.8
187.04042	1.2
189.01933	1.1
189.09138	0.4
191.03525	0.5
199.07663	0.9
201.05569	2.0
202.06387	1.4
203.07150	47.4
204.07466	3.4
211.07655	0.6
217.00394	2.1
221.08197	20.4
222.08528	1.5
229.08722	1.9
231.06606	0.6
235.98297	0.4
243.06676	0.6
245.08202	4.0
248.06938	0.7
253.04939	0.5
255.02983	1.3
260.64957	0.4
261.07626	0.6
263.09332	2.2
289.18353	0.4
291.06342	0.4
297.04056	1.6
323.05820	0.6
323.12921	0.7
352.09668	0.6
363.12463	1.4
364.12927	0.6
366.11063	7.9
367.11584	1.3
381.13458	100.0
382.10211	0.6
382.13782	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	381.1347
Annotation	Alisiaquinone B
Peak:m/z	Relative Intensity
53.63010	0.5
57.03447	0.7
59.01385	5.5
61.55250	0.5
65.00335	2.1
67.01903	1.4
68.99835	1.4
69.02879	0.5
69.03446	0.5
70.02512	2.2
71.01395	0.8
73.23902	0.5
79.01925	0.6
83.01395	0.8
95.05045	1.1
96.96035	0.7
97.02944	0.7
98.18820	0.6
98.20650	0.7
101.02450	0.5
105.44974	0.6
107.01420	2.1
107.05054	1.6
108.02197	0.8
117.30048	0.5
119.05057	6.3
120.05427	0.9
121.02953	1.4
123.00951	0.7
123.08173	6.4
128.91437	0.6
131.05017	0.7
135.00911	1.9
136.01671	7.7
136.52324	0.7
137.02504	0.7
141.07115	0.8
145.06604	5.1
146.89877	0.6
147.08177	4.3
148.05325	0.8
149.16943	0.5
150.03178	0.8
157.06587	1.0
159.04526	0.7
159.08171	2.5
160.08553	1.6
161.02451	1.3
161.09766	0.6
162.89398	1.0
163.00395	1.7
163.03967	1.1
163.11058	0.5
164.01212	3.1
165.09224	10.8
169.06593	4.9
171.04539	6.4
172.05206	0.7
175.07664	1.5
176.08031	0.7
177.01878	1.1
183.08214	2.6
187.07568	0.7
189.09186	1.4
191.03416	0.7
191.07198	1.4
199.07765	0.7
201.05620	0.8
203.07153	3.9
204.07510	4.3
204.50410	0.7
209.06314	0.8
209.08237	1.7
211.03964	0.7
211.07616	4.0
213.05592	1.7
213.09196	0.7
214.06223	0.7
217.00322	4.4
221.08156	3.0
222.08548	3.0
225.09251	2.0
227.07249	1.4
227.10919	1.7
230.09053	1.1
233.08258	1.9
239.10791	6.1
240.08162	1.0
240.11104	0.8
251.14418	2.0
254.06064	0.7
255.03003	9.1
255.06624	1.2
256.03479	1.2
267.06696	2.2
268.07288	0.9
269.08188	2.8
283.02643	4.1
284.03381	1.8
286.64740	0.7
293.15518	4.7
295.09805	4.0
295.13455	2.8
297.07764	0.6
323.09229	3.1
337.14444	14.5
338.14664	1.1
341.33661	0.7
351.08746	9.8
352.09155	1.0
363.12491	0.9
365.10577	1.0
366.10797	6.2
381.09903	5.6
381.13519	100.0
381.20313	3.3
382.10141	1.0
382.13846	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	381.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.6
59.96494	1.3
61.98835	2.8
70.66219	3.8
71.01385	5.7
72.00911	1.6
73.02950	3.3
73.78880	1.1
85.02945	1.9
87.00871	1.3
89.02456	4.5
91.69524	1.1
92.05066	2.6
101.02457	3.0
113.02412	2.7
116.05063	5.5
119.03529	2.1
128.05063	1.4
130.06642	1.4
131.03752	3.4
132.04564	8.2
135.62288	1.3
142.06691	2.1
143.06136	1.2
144.04570	7.2
154.06693	1.8
156.06956	6.5
157.07724	5.3
158.06061	2.6
160.04074	8.6
161.04471	1.8
167.06166	12.7
169.07716	4.9
170.06116	3.0
171.02664	1.3
171.09262	9.1
172.04076	1.5
172.40068	1.1
173.03755	1.4
173.07222	9.4
175.02768	1.4
179.06049	2.0
180.06947	1.3
181.07730	60.2
182.06250	2.1
182.07985	3.6
185.73439	1.4
187.08763	1.6
188.05846	1.8
197.07237	4.4
199.08791	35.2
200.09050	3.0
201.06734	3.4
213.06633	2.3
217.09882	2.6
219.07779	1.5
226.05055	4.8
243.07771	26.2
244.08218	2.1
261.08820	100.0
262.09140	9.5
262.74313	1.3
273.09000	1.5
279.55350	1.2
329.91867	1.2
363.11990	5.0
381.13019	18.4
382.13129	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	381.0984
Annotation	Lisetin
Peak:m/z	Relative Intensity
57.03462	8.0
59.01394	7.7
61.98836	1.8
63.02401	5.9
65.00330	25.1
69.56693	3.8
69.57127	4.6
71.01375	5.2
73.02933	1.6
80.69203	1.3
81.03428	1.5
83.01401	14.7
87.00880	1.9
89.02433	1.6
96.95998	2.3
101.02487	1.5
107.01402	27.3
113.02475	1.8
125.02460	57.8
126.02634	1.4
146.03775	2.4
147.04451	1.9
151.00388	100.0
152.00696	4.4
161.02217	1.6
167.06152	1.7
172.05321	9.7
173.06004	2.6
174.03185	1.8
177.01978	2.3
185.06030	3.7
186.06805	2.6
189.05537	2.3
198.03296	1.6
199.04099	6.3
199.07639	2.5
200.04820	53.9
200.08368	3.7
201.05254	5.7
201.09247	8.0
203.07068	2.2
211.07698	3.3
212.04739	1.4
213.05597	2.3
215.07080	2.9
223.07690	1.8
224.04720	1.8
227.07167	3.8
229.08714	88.1
230.08990	7.4
232.07349	1.5
237.05592	1.8
237.09358	1.6
249.14961	3.2
253.05031	3.2
253.08716	2.4
255.03012	11.1
255.06572	7.8
266.05624	1.5
267.09525	1.3
268.07312	1.5
269.08109	1.3
279.06668	1.7
280.03595	1.5
281.04681	3.1
283.02448	4.0
284.03244	7.3
295.09702	3.9
299.05533	2.6
308.03299	2.5
309.04083	64.5
309.07651	3.2
310.04358	8.5
319.09656	2.7
321.07736	1.4
322.04877	2.4
323.05750	1.9
324.06250	2.2
337.07104	11.7
337.10995	4.2
338.07843	4.3
351.05124	3.4
352.05856	1.6
363.08652	2.2
381.09760	96.8
382.10086	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	381.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.9
60.01706	0.2
69.72637	0.9
71.01396	0.6
71.04986	0.1
72.99322	0.3
73.02946	0.2
75.00871	0.2
76.61037	0.2
81.03484	0.6
85.02985	0.3
87.00900	0.5
89.02462	0.5
89.03976	2.0
93.03447	0.2
95.01361	0.2
98.20609	0.2
99.00908	0.2
101.02451	0.4
101.06091	0.4
104.02694	0.7
105.03471	4.0
106.03842	0.2
109.02980	0.4
113.02448	0.3
121.03049	0.2
125.02438	0.4
128.98318	0.3
133.02974	8.2
134.03352	0.4
135.04494	0.2
137.02455	0.2
139.04068	0.2
148.01700	0.7
149.02452	1.0
152.57709	0.2
161.04527	0.2
161.07253	0.6
176.01169	1.6
177.01942	100.0
178.02283	5.8
193.05107	0.2
204.07730	0.4
206.05972	0.3
221.08185	0.4
233.08261	0.2
275.09216	0.4
308.42484	0.2
335.67801	0.2
338.13712	0.3
356.78653	0.2
381.08215	6.9
381.12094	0.4
382.08578	1.0
382.13110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0981
Annotation	Flavescenone B
Peak:m/z	Relative Intensity
50.57933	0.6
53.26252	0.6
56.10410	0.9
59.01386	4.6
64.48682	0.6
69.51011	1.9
69.51418	2.3
71.01385	0.9
73.43445	0.6
75.02397	1.1
77.42990	0.7
87.00880	1.0
89.03973	1.8
93.03451	1.0
95.01410	0.7
96.96041	1.1
105.03483	1.3
107.05044	2.9
109.02984	1.3
109.06648	0.8
117.03458	1.6
119.01447	1.0
121.02954	1.7
123.00899	2.5
123.04535	0.9
124.01629	0.6
125.02480	0.7
133.02972	11.0
135.00972	0.7
135.04512	1.3
137.02477	5.1
147.00893	1.9
149.02458	3.0
150.03204	0.8
151.00360	1.3
151.02858	0.9
151.04005	5.9
157.06599	7.9
159.04553	0.7
161.02455	100.0
162.02768	5.1
163.00388	8.9
163.04039	1.0
164.01167	19.9
165.01947	40.7
166.02287	1.9
174.99303	0.8
175.07632	4.6
177.01903	5.5
178.02737	10.6
179.03549	4.0
187.00398	1.0
187.07666	1.3
195.04492	0.6
201.05592	10.2
202.05823	0.7
203.07002	0.8
205.01384	0.9
213.09239	5.2
215.07253	1.5
217.00345	2.9
219.06599	2.9
225.09183	0.6
239.10693	1.4
255.03001	4.4
257.08203	7.4
258.08591	1.4
263.10654	1.9
265.08804	2.0
275.09393	3.0
280.03979	1.2
282.05261	1.5
283.02499	1.7
284.03296	1.0
284.06711	1.3
291.10385	1.7
292.03680	0.8
293.07843	0.8
297.07602	1.0
299.09207	2.0
307.09982	0.8
317.08188	2.1
319.06366	1.0
319.09839	2.8
321.07745	2.9
322.08240	1.1
335.09293	9.8
336.09836	1.2
337.10864	7.2
345.07642	1.9
353.10138	0.8
363.08759	61.5
364.09152	7.7
381.09769	44.1
382.10083	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	380.1564
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
56.01329	0.6
58.00597	1.0
59.01385	21.1
70.04160	2.5
71.01388	35.9
71.05030	7.0
72.00905	0.7
72.99313	1.0
73.02937	1.1
83.01396	1.7
85.02977	3.0
88.04047	5.9
89.02448	8.7
95.01392	1.0
99.00893	0.9
99.04521	2.5
101.02462	8.2
113.02456	4.2
116.03539	1.4
116.07191	1.0
119.03534	3.4
119.49339	0.6
128.07195	2.7
129.05612	0.7
146.08247	58.4
147.08595	1.6
161.04572	2.0
200.09238	0.9
205.12447	0.5
218.10365	0.9
255.16957	0.9
263.11432	0.7
308.13519	6.6
362.14508	2.4
380.15634	100.0
381.15970	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	380.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.26721	0.7
60.01713	0.8
61.30334	0.7
70.43517	2.3
74.56155	0.9
128.40559	0.7
152.99617	0.7
177.02106	0.9
217.00294	2.1
224.29044	0.8
225.09186	2.1
226.09531	3.9
310.19293	1.6
357.83228	0.9
380.19238	2.3
380.23148	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.3
64.11871	8.2
64.38975	9.1
64.84592	8.8
69.87877	47.4
96.95972	15.5
98.19980	13.9
119.05032	11.8
122.79958	8.8
133.02930	17.1
138.19937	8.7
161.02449	100.0
162.02849	10.2
196.04874	8.9
224.92093	10.8
321.15030	11.3
329.63614	9.2
339.95477	10.7
379.07718	53.2
379.12112	21.6
379.18835	21.5
379.24963	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	379.2857
Annotation	Persin
Peak:m/z	Relative Intensity
59.01389	0.9
70.60231	1.9
93.98019	1.0
137.23206	0.9
150.03600	0.9
166.72641	0.9
295.08737	3.1
347.25925	9.7
363.15152	4.1
379.28564	100.0
380.28903	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	380.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89917	0.8
52.65734	0.7
55.01868	1.1
55.56374	0.9
55.58666	1.1
57.03437	0.8
59.01384	66.3
60.01719	1.6
69.03458	1.0
70.12739	2.5
71.01389	29.3
72.99300	0.9
73.02953	42.8
74.03290	1.3
75.00862	1.6
81.03461	1.0
83.01392	9.5
85.02946	6.2
87.00883	1.9
89.02456	9.3
95.01398	2.0
98.20005	1.0
99.00877	1.7
100.04066	1.1
101.02448	35.6
101.06077	1.3
102.02782	1.4
113.02464	12.9
115.05556	7.3
116.05062	3.9
116.51109	1.0
119.03480	2.4
125.02459	2.4
129.94800	0.9
130.06651	6.3
131.03473	2.0
132.08200	1.3
133.02948	1.0
134.03735	3.8
138.10054	1.0
143.03479	2.5
144.24060	1.0
149.04500	2.6
155.10800	1.2
158.06128	100.0
159.06451	6.4
160.01671	1.7
161.04564	6.8
175.03993	2.1
177.01909	1.8
193.05022	2.4
200.10179	1.4
237.05505	0.9
248.09216	2.4
249.13383	10.0
286.09094	2.5
292.08316	1.9
337.20135	3.2
338.12366	1.0
380.16617	1.5
381.11752	2.2
381.18631	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	380.1563
Annotation	cis-Zeatin-O-glucoside
Peak:m/z	Relative Intensity
53.27397	0.8
56.35546	0.8
57.03438	1.6
59.01386	30.3
60.01384	1.1
60.01694	1.1
61.01014	3.9
70.86879	1.7
70.87219	1.0
71.01386	40.3
71.05027	7.0
72.01725	1.4
72.99308	2.2
73.02968	2.1
75.13528	0.7
83.01383	1.4
85.02967	6.1
87.00890	2.4
88.04057	5.4
89.02454	14.0
99.00880	1.5
99.04520	3.2
101.02451	10.0
111.00864	0.9
112.98775	1.4
113.02471	6.6
114.02481	1.0
115.02088	3.8
116.03574	1.0
116.07228	1.3
117.05583	2.5
119.03513	4.1
128.07198	2.3
129.03645	1.3
129.05539	1.2
131.03506	0.8
146.08237	55.7
147.08569	1.9
149.04576	2.2
156.03510	4.0
157.03157	9.3
161.04593	2.2
163.06049	1.3
174.04550	6.5
175.02777	1.6
175.04199	22.6
179.05655	1.8
200.09282	1.4
217.02873	1.1
263.07983	1.6
263.11371	1.0
282.34921	0.8
308.13638	7.0
342.11203	8.6
362.14603	2.1
368.86441	1.0
380.08359	4.6
380.10620	6.1
380.15601	100.0
381.08618	11.0
381.16156	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	379.1918
Annotation	Heptyl oroxylopterocarpan
Peak:m/z	Relative Intensity
59.01387	1.0
61.98835	1.2
64.35210	0.4
67.85738	0.4
69.88786	1.9
84.87063	0.4
84.87614	0.4
85.72911	0.3
93.03470	3.0
96.95972	0.4
105.03484	1.7
108.02155	0.6
108.51883	0.4
109.02975	0.6
121.02966	6.5
122.03770	3.4
123.00925	0.5
123.04528	1.3
133.02966	3.7
134.13133	0.4
135.04567	0.4
136.01706	0.7
136.85992	0.5
137.02472	0.9
138.03258	0.5
143.05070	1.2
145.06592	0.5
149.02470	4.4
150.03284	0.5
159.08173	0.8
161.02483	3.9
161.06094	1.0
162.03207	1.4
167.03477	0.9
175.04066	0.5
175.07671	0.8
177.12907	0.5
179.44232	0.4
185.06099	0.4
187.03935	0.6
189.05585	0.9
201.05528	0.5
203.07166	6.3
204.07494	0.7
213.09236	1.2
217.08719	2.2
225.09204	1.0
227.07191	2.1
227.14372	1.2
237.05531	0.7
241.08717	1.8
245.15475	8.6
246.15770	0.6
255.06648	25.5
256.07120	3.3
267.06631	7.7
268.07004	0.7
269.08331	0.5
271.13504	1.9
271.16241	0.4
281.08142	0.5
289.14514	0.8
293.12134	0.4
295.09875	2.1
296.10297	0.4
297.24411	1.1
310.11993	0.7
361.18118	1.8
379.19159	100.0
380.19498	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	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.1
55.31624	0.8
57.03433	2.0
58.00573	3.8
59.01384	100.0
60.01707	2.1
69.84257	1.7
69.84667	3.1
71.01389	61.2
72.01708	1.5
72.99301	2.8
73.02955	12.7
73.03793	0.9
74.34004	0.9
75.00881	3.2
79.90881	0.8
83.01413	4.8
85.02955	13.7
87.00870	3.5
89.02454	73.8
90.02792	1.1
95.01361	3.8
97.26344	1.0
99.00874	9.4
101.02453	37.5
102.02789	1.1
109.02940	0.9
113.02468	20.4
119.03516	22.6
119.42157	0.9
125.02420	3.4
131.03506	13.1
137.37701	0.9
143.03543	5.4
144.85600	1.0
148.04053	1.5
149.04572	22.2
150.03149	1.3
155.10793	2.4
157.08684	1.3
161.04572	7.7
165.05579	1.3
179.05615	13.2
191.05635	4.9
199.09755	4.4
231.12245	1.1
247.11893	11.7
251.07751	1.6
317.11115	1.0
361.10248	4.0
379.11148	4.1
379.15979	31.8
379.23331	1.4
380.16275	3.5
399.10309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1612
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01856	1.8
58.00582	2.9
58.09669	0.8
59.01385	100.0
69.03435	0.9
71.01390	53.1
71.30849	1.6
72.01681	1.0
72.99294	3.6
73.02958	16.1
75.00895	5.8
83.01367	3.4
83.29659	0.9
85.02961	10.5
87.00880	3.7
89.02455	86.0
90.02785	1.9
95.01362	2.5
96.31111	1.0
97.02939	1.5
99.00282	1.5
99.00882	17.4
101.02454	33.4
102.02753	1.5
113.02460	14.9
115.03960	1.1
118.26475	1.0
119.03520	16.0
125.02444	3.2
131.02736	1.0
131.03528	13.8
142.59978	1.0
143.03484	3.5
147.25003	0.8
149.04570	34.0
150.04787	1.1
157.08699	1.3
161.04572	6.2
165.03987	1.0
179.05615	9.8
180.06029	0.9
181.08682	2.6
191.04330	0.8
191.05646	9.3
233.06596	1.1
247.11720	4.1
251.07607	1.3
285.17365	0.9
291.09857	1.4
319.17160	1.2
365.50040	1.0
379.15936	29.6
379.19714	3.0
380.16238	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	379.1614
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03457	8.4
59.01389	100.0
60.01729	1.2
61.98842	0.8
71.01394	11.9
71.02267	1.7
71.02615	0.7
72.01725	0.8
72.99298	1.6
73.02963	4.4
75.00896	2.0
83.01422	1.5
85.02957	4.7
87.00903	1.7
89.02449	7.1
90.93978	0.6
92.88424	0.8
95.01421	1.3
99.00867	1.4
99.04546	5.8
101.02454	11.4
108.04587	0.8
109.02987	0.7
111.04594	1.1
113.02479	5.0
119.03522	3.6
122.06159	1.2
123.04561	1.2
125.02489	0.8
126.38475	0.7
129.01973	0.7
129.03848	0.8
131.03462	1.4
135.04550	8.0
136.04933	0.7
137.06128	0.8
137.09761	1.4
139.07759	0.9
143.03526	0.7
143.07294	0.9
156.10410	1.0
159.03030	0.8
161.04617	2.8
173.08228	1.1
179.03624	1.3
179.05592	1.0
181.05153	1.8
194.04570	1.0
195.06587	0.7
199.09792	1.8
201.02382	0.9
203.01920	1.8
217.10837	1.9
217.14581	0.7
231.12440	1.6
235.08350	2.0
247.11964	0.9
248.09679	0.7
319.14078	1.6
331.24332	0.7
336.11026	1.0
361.10590	0.7
361.14951	1.4
379.06232	3.3
379.11618	1.5
379.16077	23.1
380.16714	3.1
382.34024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66432	0.7
59.01386	1.8
60.09657	0.7
65.87800	0.8
69.21107	5.2
69.21527	2.5
79.05537	1.5
80.80227	0.9
87.04549	1.0
95.01402	1.3
98.20605	1.8
99.48365	0.8
106.90869	0.9
107.05035	6.3
117.03485	1.0
121.02950	1.0
123.00941	1.1
129.07106	1.3
130.04262	0.9
133.02997	1.0
143.05028	1.4
144.05833	0.9
148.01680	100.0
149.01994	5.7
157.06587	16.1
159.04559	2.6
159.08170	2.1
161.02440	3.4
161.06082	1.2
162.03233	17.1
163.04022	98.5
164.04349	6.7
167.04959	1.0
169.06526	1.6
171.04523	6.0
171.08374	0.8
172.05330	3.9
175.07649	30.3
176.01138	1.7
176.08003	1.4
177.01884	1.1
177.05550	1.1
183.04561	2.0
185.06024	2.6
187.04005	1.1
187.07648	14.3
188.07938	1.0
189.01939	1.3
195.04494	3.2
197.06177	1.0
199.03905	1.2
200.04784	1.6
201.05583	19.0
202.06039	1.5
211.04088	3.9
214.06317	1.3
215.07141	89.9
216.07486	8.5
219.06673	1.6
223.04018	3.2
227.07185	1.1
239.03503	24.2
240.04091	2.4
267.02991	36.6
268.03348	4.3
282.05353	86.1
283.05737	11.4
288.32315	1.0
297.04172	3.3
297.07672	64.7
298.08109	7.5
299.05640	5.6
321.04184	1.4
364.09537	7.7
365.10022	1.3
379.11908	46.8
380.12283	7.1
399.03384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1188
Annotation	Rubrophen
Peak:m/z	Relative Intensity
59.01374	3.6
61.98824	0.7
71.54951	0.8
91.01899	3.3
95.01419	0.8
96.96021	2.0
104.01275	0.7
121.02979	1.1
123.00827	1.0
133.02954	2.2
135.00888	9.0
153.01906	3.0
157.06567	1.3
159.04475	1.7
160.01714	0.8
161.02452	28.7
162.03224	16.8
163.00471	1.2
163.03856	0.8
175.07616	1.5
187.00410	1.3
187.03935	0.9
201.05579	3.3
209.06134	1.3
223.03975	2.1
225.05679	1.8
237.05533	3.7
249.05530	2.6
253.05130	0.9
264.04172	1.1
265.05032	4.8
266.09335	0.9
269.04651	1.9
275.03366	1.7
277.05045	1.9
279.10214	3.5
281.04538	8.7
282.05035	1.5
284.06909	1.0
292.03711	1.3
293.04651	7.0
294.04840	1.3
295.02475	0.8
299.05692	3.7
299.09189	23.8
300.09601	2.8
308.02921	0.8
308.10309	1.2
309.04065	12.6
310.04517	1.6
319.09692	1.1
321.04034	6.9
321.07565	1.6
322.04419	1.2
324.06299	0.9
335.09125	3.5
336.10056	18.8
337.10425	3.4
349.07086	1.6
356.05457	1.0
357.10480	0.7
363.08649	2.0
364.09537	46.3
365.09842	4.8
379.04987	3.8
379.11877	100.0
380.12247	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	379.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78440	0.4
59.01383	1.4
71.55219	0.8
79.05553	0.5
95.01432	0.6
107.05025	3.5
119.29323	0.4
121.02975	0.7
123.00896	3.5
133.02954	0.9
136.01654	0.6
138.03239	1.1
141.07034	0.5
143.05046	1.0
144.05858	0.6
147.04530	0.5
148.01680	100.0
149.01999	4.6
157.06587	2.6
159.04549	1.1
159.08144	1.5
161.02417	3.2
162.03235	15.8
163.04024	97.3
164.04375	5.5
169.06624	0.7
171.04547	3.1
172.05339	2.4
173.06102	0.5
174.03242	0.5
175.07649	17.2
176.07930	1.1
177.02098	0.6
177.05586	1.4
185.06146	2.2
187.07652	7.9
189.01991	0.5
197.06128	0.8
199.03979	0.8
200.04756	1.6
201.05591	1.3
215.07141	55.7
216.07425	4.2
218.91640	0.5
277.04865	0.5
281.04550	0.8
299.05627	2.7
347.09229	0.9
364.09564	5.7
379.07715	1.3
379.11874	12.0
379.25070	0.9
380.12448	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1187
Annotation	Rubrophen
Peak:m/z	Relative Intensity
54.69335	1.0
59.01368	4.2
60.58958	0.9
61.48849	1.0
61.98792	1.6
69.78614	3.3
69.79028	1.5
70.83797	0.9
71.03655	1.0
75.84750	1.0
79.95798	1.3
80.88902	0.9
96.96008	2.1
98.20667	1.1
119.01415	1.2
134.96255	1.1
147.00887	1.7
157.06641	6.3
161.02458	2.2
189.01686	1.3
201.05573	4.5
215.03668	1.4
223.36363	1.0
225.09225	5.3
231.92393	1.4
235.07782	1.6
237.09392	1.1
249.09178	2.1
253.08623	1.3
259.07550	1.6
261.09409	0.9
266.76477	0.9
277.08798	6.6
281.08255	1.8
293.08197	4.6
303.06824	1.5
305.08124	5.5
309.04144	1.3
321.07733	16.7
322.08087	1.3
335.09323	2.8
349.07175	51.9
350.07471	7.4
363.08725	7.0
364.09537	11.6
365.09842	1.7
379.11887	100.0
379.19565	3.1
380.12302	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	379.1186
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
57.82297	0.9
59.01379	2.3
68.21921	1.0
70.92140	1.9
79.05541	2.7
96.96037	1.4
107.05029	6.8
123.00910	2.6
129.07132	1.9
136.01689	1.2
143.05118	1.3
148.01677	93.8
149.02002	5.7
157.06612	16.3
158.07043	1.3
159.04498	1.9
159.08165	2.4
161.02437	2.3
162.03235	16.1
163.04025	100.0
164.04381	5.7
171.04510	5.6
172.05251	1.6
175.07642	34.7
176.07996	1.9
183.04483	1.5
185.02533	1.4
185.06093	2.2
187.07642	14.8
188.08012	2.1
189.02040	1.7
195.04526	2.4
199.04002	1.1
201.05569	17.7
202.06015	2.3
211.04013	5.2
214.06303	1.2
215.07146	86.6
216.07443	6.9
219.06662	2.2
223.04094	2.3
239.03506	18.8
240.03923	3.3
246.05276	1.0
256.26782	1.0
267.02994	30.0
267.05832	2.0
268.03342	3.3
282.05344	82.1
283.05649	7.7
297.07684	62.5
298.08072	9.1
299.05835	1.1
321.07849	1.1
333.11606	1.1
349.07361	1.6
364.09558	7.1
379.11914	46.3
380.12286	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	379.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16854	0.5
57.03432	0.4
58.67638	0.5
59.01384	6.2
65.99851	1.5
69.41131	3.8
71.01385	2.0
73.02969	1.0
82.02988	10.0
83.01387	2.8
85.02951	0.9
89.02440	0.9
94.02994	1.1
94.61858	0.5
101.02441	1.0
103.64958	0.4
108.04526	0.9
113.02459	0.7
122.06123	1.2
134.74080	0.5
136.04060	7.3
137.04369	0.8
146.06137	1.5
152.03555	4.8
155.10797	0.8
158.06099	1.5
160.04091	0.5
161.04729	0.8
161.07242	0.5
168.06686	0.8
171.10190	0.6
174.05655	3.7
176.07149	2.6
180.03035	1.6
186.04269	2.5
187.02689	0.7
187.68835	0.5
194.04631	0.7
199.05063	0.9
200.07245	2.5
201.06737	6.6
202.05072	1.9
212.05673	5.9
213.03076	0.7
213.06618	1.0
214.05240	1.1
215.08301	0.9
217.10788	0.7
225.06677	1.3
226.05180	1.0
226.07483	1.2
227.04457	2.5
228.05342	2.4
229.06158	3.8
232.04872	0.7
239.08197	0.9
241.06087	2.5
241.09854	1.3
242.08482	5.7
243.07698	7.7
247.07204	2.7
247.15616	1.0
248.07726	0.8
255.04027	2.5
256.04935	0.6
257.05655	1.9
257.09393	3.2
261.17014	0.7
267.07736	2.2
269.05637	6.0
270.06488	19.3
271.06772	2.6
285.08826	100.0
286.09143	10.9
287.06750	7.9
288.07007	1.0
289.08350	0.7
301.08344	1.9
302.08960	1.1
307.09451	1.0
317.11423	27.2
318.11902	3.4
329.07755	1.5
335.11670	2.1
361.10400	2.4
379.11389	6.4
379.16061	2.7
379.19672	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	379.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67476	0.5
55.01872	0.7
59.01385	16.9
65.99855	2.1
71.01377	4.4
71.55381	0.8
73.02952	1.5
73.16714	0.5
75.00871	1.2
82.02984	9.9
83.01394	3.7
85.02959	2.4
87.00892	0.8
89.02460	2.1
94.02976	0.8
99.00886	1.2
100.04077	0.7
101.02434	2.5
108.04557	1.0
109.02906	0.8
110.02451	1.0
113.02454	1.5
115.92085	0.8
116.92875	1.2
118.06673	0.6
119.03459	1.0
136.04066	8.8
138.96944	0.6
146.06116	1.4
152.03545	5.9
155.10825	1.1
158.06099	1.7
168.06589	0.8
170.06064	0.7
171.10388	0.9
173.06137	0.7
174.05576	2.9
176.03532	0.6
176.07172	1.6
186.04346	2.5
194.04630	0.9
198.05627	0.8
199.05121	1.2
199.09824	1.1
200.07207	1.7
201.06720	7.8
202.05077	2.1
211.05014	0.7
212.05643	5.7
214.05202	0.7
214.08794	0.7
215.08333	1.0
217.10760	0.8
225.06749	1.1
226.07458	0.7
227.04651	1.9
228.05374	4.1
229.06245	3.4
232.04918	1.3
241.06200	2.2
241.09851	1.0
242.08479	6.1
243.07727	9.9
244.08194	0.9
247.07150	3.4
247.15416	0.9
248.09282	2.3
255.04076	2.5
257.05692	2.1
257.09235	3.4
261.16968	1.1
267.07727	1.5
269.05685	6.2
270.06482	18.0
271.06790	1.8
285.08820	100.0
286.09143	11.2
287.06781	7.8
289.08264	1.0
292.08148	0.8
301.08163	1.2
307.09311	1.4
308.09592	0.7
317.11441	30.3
318.11780	3.9
329.07837	2.3
335.12366	1.5
361.10327	2.2
379.11368	6.5
379.16168	7.0
379.20190	0.8
379.23633	1.5
380.11356	0.8
380.15930	0.6
390.08301	0.6
393.82892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04630	0.7
55.01888	1.3
59.01389	12.4
68.99831	1.6
69.58987	4.4
71.01388	17.9
71.01786	1.1
71.05024	4.5
72.99321	5.1
73.02946	0.9
75.00885	5.4
75.02603	2.0
83.01410	2.2
84.99329	1.0
85.01030	3.7
85.02970	1.9
87.00901	2.3
88.04075	1.9
89.02445	4.3
99.00900	3.1
99.02620	1.6
101.02464	4.0
103.00411	2.8
107.33827	0.8
111.00885	1.4
112.98818	12.2
113.00522	1.3
113.02430	1.5
114.01346	1.1
114.02470	1.0
114.98463	1.7
115.00383	3.0
115.02095	12.3
115.04027	2.1
119.03512	1.6
124.98837	1.5
127.02123	2.0
129.03690	2.3
133.05132	1.3
142.51376	0.8
142.99893	1.5
143.01552	2.1
145.01428	4.5
146.08240	11.8
156.03526	2.2
157.01454	3.0
157.03114	1.4
159.04697	15.0
159.72656	0.8
163.06190	1.0
168.99567	1.0
171.01074	6.6
173.06255	6.1
174.04556	4.0
189.31094	0.8
201.05779	3.5
217.03021	1.1
231.03166	9.0
231.06760	1.1
243.06697	3.8
263.05811	18.8
264.06146	1.0
287.05753	4.1
308.13693	1.8
316.31006	0.9
341.11017	2.8
347.07938	2.3
356.24976	0.8
379.06854	8.4
379.10699	100.0
380.10913	11.4
380.15765	20.9
401.03268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0828
Annotation	LMPK12090003
Peak:m/z	Relative Intensity
51.67161	0.2
57.03397	0.2
59.01395	1.7
61.98866	0.3
65.03967	0.2
71.01403	0.4
71.54917	0.4
77.03986	0.5
83.01394	0.4
85.02972	0.3
86.28649	0.2
89.03978	1.2
91.01887	0.3
95.05033	1.1
96.96016	0.4
105.03470	5.3
106.03786	0.5
113.02431	0.3
117.03477	4.4
121.02974	0.6
123.04530	3.7
124.41302	0.2
126.63356	0.2
130.04257	0.8
132.02200	0.6
133.02972	15.8
134.03352	0.5
145.02974	0.3
145.06572	0.4
149.02426	0.9
149.63921	0.2
149.99606	2.0
151.00383	0.3
158.03726	0.6
159.04504	0.4
160.01636	1.1
161.02458	100.0
162.03065	8.0
163.00380	0.3
163.04021	0.7
171.04509	0.3
173.06071	0.6
174.97247	0.3
189.01970	0.4
189.05682	0.6
191.07161	0.4
201.05682	0.3
211.03966	0.3
217.05055	1.9
220.39516	0.2
239.03542	0.4
254.05702	0.3
269.04617	0.5
280.03989	0.3
282.05142	1.3
284.06833	2.5
295.15482	0.6
297.04083	0.6
297.07693	1.3
299.09201	4.0
300.09415	0.3
309.07553	0.3
323.05731	0.3
333.07870	0.3
335.09381	0.3
351.08713	0.5
361.07275	0.6
379.08264	23.8
380.08762	5.7
380.13635	0.3
400.74118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43036	0.3
54.17345	0.4
54.49179	0.3
58.94311	0.3
59.01370	0.6
69.28924	0.9
69.29346	2.3
74.86021	0.4
95.02995	0.3
113.02425	0.6
125.53867	0.4
135.00826	1.1
136.01598	0.4
142.57703	0.4
147.67281	0.3
148.01637	2.5
151.00272	0.4
158.03711	0.4
176.01152	0.4
191.82750	0.4
199.04047	0.7
200.04819	0.9
211.04025	1.1
212.04730	1.5
213.30025	0.4
223.04027	0.4
227.03485	3.0
228.04018	0.8
239.03482	1.5
240.04156	0.7
255.02980	3.6
256.03745	2.5
267.02905	0.6
283.02515	3.4
284.03275	68.5
285.03610	7.4
299.05621	100.0
300.05942	12.3
379.01312	10.3
379.21365	1.1
380.01550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21013	0.5
59.01379	1.8
79.05515	1.2
93.03459	0.5
95.01377	0.8
107.05033	7.3
111.32854	0.5
113.47211	0.7
117.03471	0.5
121.02929	0.9
123.00914	2.1
124.01678	0.7
129.07109	1.4
133.02945	1.3
137.02397	0.5
143.04993	1.3
144.05750	0.6
148.01674	89.0
149.01990	4.9
157.06584	16.8
158.06953	1.0
159.04518	2.2
159.08183	2.0
160.05280	0.9
161.02412	3.0
161.06071	0.7
162.03239	15.3
163.04019	100.0
164.01199	0.7
164.04378	5.6
167.05035	0.7
169.06674	0.8
171.04562	5.2
172.05269	2.5
174.03288	0.8
175.07649	31.6
176.01173	1.9
176.07993	1.9
177.01970	1.0
177.05597	1.2
183.04523	1.2
185.02495	0.9
185.06076	1.0
185.75999	0.5
187.04070	0.7
187.07660	12.2
188.08052	1.1
189.01970	1.4
195.04521	2.3
197.06100	1.2
199.04047	1.3
200.04852	1.8
201.05569	17.8
202.06017	1.8
211.03999	3.3
214.06381	0.9
215.07130	84.0
216.07494	6.9
219.06601	1.1
223.03996	2.5
224.04434	0.6
239.03503	17.2
240.04077	2.5
246.05270	1.0
267.02982	30.8
268.03317	2.9
282.05341	66.8
283.05716	6.1
284.03381	0.8
293.08472	0.6
297.07678	51.1
298.07990	6.0
299.05530	3.7
321.07718	0.7
364.09546	6.6
379.11890	41.5
380.12204	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	378.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
61.98836	100.0
63.40810	0.3
69.76952	1.5
72.17089	0.3
96.96017	0.8
97.96618	0.4
211.49327	0.4
225.09218	0.4
260.32562	0.4
260.57175	0.4
293.21344	0.9
312.90103	0.4
319.22342	0.5
341.09628	0.9
357.67007	0.4
378.18954	4.5
379.19073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0131
Annotation	Luteolin 4'-methyl ether 3'-sulfate
Peak:m/z	Relative Intensity
51.76413	0.4
57.06101	0.4
59.01382	3.5
69.34190	1.7
69.34618	1.7
72.80335	0.4
75.82706	0.5
85.96841	0.4
107.01385	0.5
114.14765	0.4
118.31168	0.4
132.80046	0.4
135.00861	1.1
148.01656	1.4
151.00369	0.9
161.31113	0.5
176.01190	0.6
189.16835	0.4
197.94185	0.4
199.03967	0.9
200.04742	1.4
202.23933	0.4
211.04016	1.4
212.04716	1.2
227.03564	2.8
228.04045	0.7
239.03531	1.7
240.04277	0.8
242.02258	0.5
255.02974	3.2
256.03720	3.0
267.02951	0.8
283.02567	2.7
284.03287	88.1
285.03622	8.3
299.05640	100.0
300.05984	12.0
323.48615	0.4
379.01312	12.6
379.21024	0.5
380.01657	1.2
391.26434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10410	0.9
59.01388	23.0
61.98848	0.9
69.77229	0.9
69.86112	4.4
73.03954	1.0
89.23139	0.8
96.96017	1.9
116.90672	1.0
132.07375	0.9
141.12859	1.5
143.70085	1.2
151.11295	1.6
154.96507	1.0
160.78426	0.9
171.10294	29.9
171.46582	1.0
182.29532	1.2
240.46942	1.0
249.22319	1.5
277.21722	34.9
278.21982	3.3
295.22806	100.0
296.23193	10.9
317.20990	31.7
318.21252	4.2
335.20966	1.7
361.19913	3.4
377.22787	24.3
378.22720	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	378.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.7
69.46896	12.8
71.01392	5.9
71.86440	1.6
72.59471	1.8
83.05026	3.5
86.42796	1.7
87.00908	2.9
99.00927	4.5
111.06940	2.9
112.98815	7.6
126.09274	25.9
128.04221	1.7
138.05492	1.7
142.99887	37.9
143.00934	3.6
170.08217	2.2
172.09854	4.6
173.00909	13.3
204.12425	100.0
205.12711	6.3
263.20697	1.8
319.08377	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	378.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.7
69.46896	12.8
71.01392	5.9
71.86440	1.6
72.59471	1.8
83.05026	3.5
86.42796	1.7
87.00908	2.9
99.00927	4.5
111.06940	2.9
112.98815	7.6
126.09274	25.9
128.04221	1.7
138.05492	1.7
142.99887	37.9
143.00934	3.6
170.08217	2.2
172.09854	4.6
173.00909	13.3
204.12425	100.0
205.12711	6.3
263.20697	1.8
319.08377	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	377.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.3
61.98822	9.4
69.43604	27.0
69.44024	14.4
71.01392	5.8
77.27516	5.5
84.02176	15.0
88.25311	5.8
96.95985	8.2
127.13487	5.5
132.19504	6.1
133.06664	5.5
157.86313	6.9
162.79291	5.9
171.10254	30.7
175.04070	6.6
219.97739	11.7
237.99892	5.8
291.05630	10.8
292.06519	8.0
300.48154	5.5
306.09134	7.0
317.03494	40.6
320.03357	6.2
332.07208	6.0
334.08304	9.2
341.23315	100.0
342.23697	16.3
349.07007	7.6
361.07312	10.8
362.07996	12.2
377.05890	36.4
377.10855	52.7
377.23621	6.7
401.96625	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	377.2126
Annotation	17beta-(Benzoyloxy)-B-norandrost-4-en-3-one
Peak:m/z	Relative Intensity
52.55397	0.5
54.72253	0.5
59.01381	1.0
61.40538	0.5
61.98822	1.8
69.62775	2.2
69.63208	1.5
82.83236	0.5
87.81526	0.5
96.96050	1.3
99.92603	5.5
107.05032	2.0
115.92095	2.3
116.92882	6.6
117.92884	0.8
121.02948	0.6
122.03715	0.9
135.04546	2.5
147.04536	0.6
161.02507	0.8
163.04013	1.2
171.08186	1.2
175.03999	1.2
177.05592	1.0
177.12801	0.7
183.08195	0.6
185.53024	0.7
189.09218	1.7
215.07161	1.4
217.08698	12.4
218.09105	1.1
225.09204	3.4
226.09917	1.3
227.14369	0.6
231.10439	0.8
237.09238	0.9
238.06335	0.7
239.07072	1.2
251.07079	0.6
252.07903	0.8
253.08699	38.4
254.09010	3.8
265.08710	11.3
266.09250	1.8
267.10242	1.1
277.21805	2.6
279.10352	1.1
279.22360	1.1
291.13876	1.0
293.11893	3.0
305.19058	1.2
307.13416	3.5
308.14124	0.9
331.20618	1.0
349.21729	3.0
375.19846	1.5
377.21222	100.0
378.21567	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	377.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80660	0.8
59.01383	18.6
60.98949	0.9
61.98832	2.1
71.01384	1.0
71.54497	1.0
72.87309	0.7
74.57587	0.8
95.05023	8.1
96.96027	1.3
97.06571	1.0
99.99201	0.8
105.83157	0.8
113.09726	3.4
129.67508	1.0
131.14647	0.8
143.31628	0.8
164.05907	0.9
172.86911	0.9
177.12807	0.8
179.14433	1.4
195.13899	18.1
196.14159	1.1
215.10651	1.0
217.12103	1.0
246.12463	1.1
249.10974	1.2
249.22284	1.3
277.21722	15.7
278.11353	5.8
278.22031	2.0
279.11948	1.1
295.22784	100.0
296.23108	12.9
315.19656	0.9
317.20975	46.4
318.21384	6.5
361.19971	3.6
366.81201	1.0
377.22043	11.5
378.22244	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	377.1428
Annotation	Go 6976
Peak:m/z	Relative Intensity
59.01385	1.3
60.69370	0.5
61.98839	1.1
67.27445	0.4
71.01537	0.7
71.01891	0.9
84.93895	0.8
86.64215	0.5
91.68284	0.4
96.96004	1.0
99.92596	81.2
100.92608	4.8
100.93369	2.1
106.67279	0.6
109.02869	0.5
110.11319	0.5
115.92089	37.9
116.92874	100.0
117.92886	6.1
131.91518	0.7
138.32430	0.5
266.98871	0.5
277.21686	2.3
279.22293	0.6
290.06299	1.0
299.05923	0.8
308.07138	1.9
309.07617	0.9
311.83234	0.5
315.14191	0.7
333.15344	0.8
359.13123	1.4
373.11053	3.2
374.11234	0.7
377.14291	39.2
378.14505	7.5
387.09076	0.5
391.12228	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	377.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29913	0.8
57.03449	2.2
58.00590	1.4
59.01386	77.0
60.01714	1.3
62.37130	0.9
65.35575	0.8
67.15476	0.8
69.35525	7.4
71.01389	30.3
72.99321	2.0
73.02959	20.5
77.56514	0.9
83.01397	5.0
85.02946	8.6
87.00877	3.0
88.04044	7.9
89.02456	12.3
95.01398	1.8
98.14680	0.8
99.00925	1.1
101.02456	24.3
104.06438	0.8
113.02455	9.5
114.01999	1.9
115.00357	3.6
117.24496	1.0
119.03500	4.8
121.02945	1.9
123.04626	1.0
125.02508	6.1
132.03049	28.9
139.11415	1.0
147.59128	0.9
150.05635	1.0
155.09599	1.3
155.10796	20.0
161.04579	1.7
164.03542	1.2
166.99828	0.9
173.06085	1.0
173.11823	11.7
173.13223	1.2
185.11815	1.2
187.03986	1.2
209.11894	1.2
245.13826	2.7
245.17616	2.9
259.61905	0.9
274.95721	1.0
281.05420	4.9
317.16119	8.6
318.16177	0.9
335.17157	45.7
336.17447	4.3
377.18201	100.0
378.12201	5.3
378.18610	11.5
403.87500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
59.01378	7.6
61.98824	5.6
65.00341	2.0
71.02499	3.6
76.46976	1.8
81.03461	8.8
83.01432	2.1
83.05009	2.1
95.01403	2.0
96.96042	4.6
108.02188	12.2
109.02967	2.2
111.00857	2.3
121.03014	1.9
130.04198	6.1
132.02269	2.5
135.00856	4.2
143.04965	2.5
145.02946	12.4
147.04543	100.0
148.01631	8.7
148.04845	7.6
158.03729	3.4
159.04579	3.0
161.02409	2.1
163.00340	1.9
173.05994	6.4
175.55119	1.6
177.01910	3.4
191.03535	14.3
221.06200	2.1
221.09694	21.0
222.10072	2.3
223.07573	2.2
225.09366	3.4
235.07632	36.6
236.08469	12.2
241.34865	1.9
243.87535	2.0
247.07680	1.7
249.05594	2.4
249.09286	3.4
250.06374	22.6
251.06955	6.5
251.10764	19.7
252.11166	2.3
265.08704	96.6
266.09241	24.1
282.29526	2.0
285.77335	2.4
295.09778	59.2
296.10052	6.4
377.09970	4.1
377.17801	5.4
377.23389	35.3
378.23425	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	377.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79293	3.5
59.01385	46.2
64.65517	4.0
71.01385	38.1
71.53214	4.3
83.04990	5.2
85.02973	6.6
87.00880	12.3
89.02453	44.5
94.65601	3.9
98.20055	3.9
101.02452	16.7
102.38018	4.1
109.94771	5.0
112.98832	8.7
113.02500	12.2
114.06905	4.0
119.03502	18.8
122.24675	3.6
126.09266	26.6
135.04550	31.1
135.16447	3.7
142.99867	28.6
143.03516	5.1
170.08221	9.8
173.00960	4.3
179.05641	29.8
202.10901	8.3
204.12428	100.0
204.14360	5.0
215.03351	20.6
341.10986	94.5
342.11230	11.6
377.08710	57.7
377.13513	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	377.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.4
57.03444	3.6
58.06577	2.7
59.01384	100.0
61.46101	2.5
68.99815	3.3
69.94003	4.4
69.94411	9.8
71.01384	37.5
72.97529	2.3
72.99300	3.1
73.02939	13.1
73.98322	5.4
75.00883	4.0
76.08208	2.7
83.01390	7.5
85.02953	17.9
87.00882	5.6
87.04534	2.4
89.02455	21.0
99.00893	3.8
99.04533	3.5
101.02455	26.9
108.04579	6.6
111.04499	3.2
111.08163	3.5
113.02451	16.5
113.06152	3.2
118.98229	2.6
119.03504	6.7
123.04602	5.1
129.01892	2.5
129.03821	15.3
129.05580	7.0
133.02934	2.5
135.04526	41.4
139.07594	2.6
153.09229	3.6
155.07147	2.7
159.02934	3.4
161.02448	9.0
161.04568	6.8
167.96133	2.4
173.08208	9.2
179.03535	3.5
179.07301	3.8
183.01370	3.1
190.05089	4.0
195.05011	2.8
197.08310	3.7
201.02271	47.6
222.03871	3.2
271.02435	4.7
300.02634	6.7
301.08298	4.0
315.10184	2.8
317.12375	8.7
335.13443	23.4
341.08807	10.2
377.05435	29.4
377.09756	5.1
377.14163	21.6
377.17914	5.0
377.22153	6.2
377.59723	2.9
378.05835	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	377.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01383	18.4
59.45415	0.8
61.98819	1.1
67.15580	0.8
71.01389	9.3
71.05035	1.0
72.32328	0.8
72.97533	4.9
72.99305	1.0
73.02945	2.5
73.98323	14.0
74.99086	0.9
75.00866	1.5
83.01420	1.5
83.05042	1.8
85.02947	3.1
87.00892	1.2
89.02447	8.7
90.98577	2.3
95.05025	2.9
97.02952	1.6
97.06584	1.3
98.12559	0.9
99.00904	1.9
99.04517	1.2
101.02451	6.1
101.04310	1.3
104.04720	0.9
107.05045	1.0
108.02219	0.8
109.06593	0.9
111.04495	1.2
111.08276	0.8
113.02462	3.4
113.04386	0.9
118.98095	3.8
119.03532	4.5
121.06596	1.6
123.04541	13.2
123.08169	0.8
129.03816	43.3
130.04164	1.5
135.04535	86.5
136.04865	4.7
137.02396	0.8
137.06061	0.9
139.02289	5.2
143.03534	0.9
148.04039	0.8
151.04024	1.5
153.09219	1.6
154.82649	0.7
155.01787	2.2
157.03328	3.8
161.04552	2.0
164.46353	0.8
165.05577	1.5
167.07198	1.0
178.35484	0.8
179.03535	5.7
179.04889	0.8
179.05710	1.1
183.01231	9.1
196.36647	0.8
197.08270	1.3
201.02284	100.0
202.02583	7.5
245.06580	0.9
290.27557	0.8
297.09714	3.9
316.68173	0.8
322.12952	0.8
331.04858	2.4
334.02130	0.7
341.08716	14.3
341.46027	0.8
342.08884	1.2
345.76071	0.8
359.04404	12.5
360.04730	1.2
377.05484	81.7
377.14224	4.3
377.18332	7.5
377.22006	1.2
378.05789	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	377.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.8
59.43184	0.4
60.20275	0.4
69.34758	2.5
69.35165	0.9
83.38448	0.4
92.98379	0.4
117.58308	0.4
126.84692	0.4
127.18231	0.4
132.02170	2.8
133.02933	0.6
157.06647	1.8
160.01743	1.5
161.02496	2.2
162.03278	0.9
175.04080	1.4
195.04514	4.7
196.44771	0.5
199.03989	0.4
201.05672	1.5
210.06871	0.8
210.60640	0.4
211.03946	3.0
212.41705	0.4
215.03513	0.5
223.04102	1.6
227.03503	0.7
234.03198	0.4
235.03978	0.4
236.04584	0.5
239.03508	27.1
240.03850	2.2
247.07556	0.8
251.03452	0.5
254.03174	0.9
254.05882	18.5
255.06253	1.6
261.09326	0.6
263.03482	0.7
263.07343	0.4
265.08649	0.6
267.02972	10.9
268.03348	1.2
277.08728	1.8
278.09335	1.0
279.03058	0.5
281.04388	0.5
282.05365	81.4
283.02609	0.8
283.05695	9.2
289.08783	1.9
291.03159	0.6
291.06680	1.1
297.07700	100.0
298.08066	11.1
298.11411	0.9
305.08139	1.0
306.08926	3.9
307.09253	0.6
317.08224	1.0
318.08698	0.5
319.02548	0.6
319.06015	1.0
333.07703	3.0
334.08508	3.6
345.07687	2.3
346.08133	0.8
349.10782	1.9
361.07239	5.7
362.08008	7.9
363.08258	0.8
377.03305	10.1
377.10263	30.7
378.03586	1.0
378.10712	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	377.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36161	0.4
59.01370	1.7
59.11868	0.4
69.55064	3.1
71.13882	0.4
76.18243	0.4
113.53235	0.4
121.03001	0.7
145.48288	0.4
149.64549	0.5
167.05040	0.5
179.37018	0.5
183.04440	0.9
195.04510	1.7
211.04066	3.4
223.04036	3.0
239.01016	0.6
239.03500	20.2
240.03897	2.3
267.02991	39.2
268.03287	4.3
282.05350	100.0
283.05670	10.1
283.12845	0.4
297.07684	78.9
298.04773	0.8
298.08035	10.0
310.32355	0.4
362.07846	0.6
377.03326	9.8
377.10501	1.0
378.03635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01386	50.9
70.15137	3.4
71.05014	5.2
89.91486	0.8
97.06610	0.7
152.53120	0.8
172.37268	0.8
177.16393	0.8
191.17972	0.8
209.15570	1.4
209.60388	0.8
217.00394	2.1
221.15567	2.2
223.17055	5.0
231.21312	2.0
233.15465	0.8
235.17059	36.0
236.17450	3.2
251.16548	1.0
255.98059	0.8
275.20184	37.5
276.20480	4.2
291.19849	1.1
293.21252	100.0
294.21552	12.2
307.57248	0.8
315.19516	1.0
375.21603	32.0
376.21805	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	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80122	1.5
59.01389	41.3
63.10054	1.4
69.22671	14.5
95.05018	2.9
109.06621	1.7
121.10257	28.0
123.09278	1.7
125.09738	1.6
140.20334	1.6
171.10289	71.3
172.10658	3.1
183.13940	2.8
207.09988	2.4
217.00398	2.6
231.21175	3.9
232.21519	1.9
244.13553	1.6
253.09398	2.5
272.13705	1.8
275.20181	100.0
276.20496	15.3
278.11441	9.1
290.14792	3.8
293.21274	87.8
294.21536	12.3
297.18329	2.7
306.13132	1.7
315.19440	48.2
316.19763	6.1
359.18369	5.6
375.21402	31.9
376.21512	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	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47004	1.2
53.12274	1.2
53.62499	1.0
59.01385	22.3
59.96346	1.2
64.61423	1.1
66.11408	1.3
69.57927	6.9
81.58138	1.3
88.73788	1.1
95.05030	38.0
99.92601	1.5
107.11532	1.0
108.02171	1.2
111.08158	1.3
135.59164	1.3
140.18298	1.2
150.02963	1.7
152.01175	1.6
179.14400	1.4
195.13889	12.3
205.12337	1.4
217.00230	2.1
223.13402	9.2
228.13794	1.6
231.21140	1.8
246.12367	13.4
249.06123	2.2
256.13162	3.3
265.21542	1.4
275.20172	7.0
278.11371	79.8
279.11826	8.1
293.21249	100.0
294.21552	11.8
315.19427	16.5
316.19675	1.7
338.12299	6.7
339.12256	1.9
375.21622	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	375.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
55.80467	0.6
57.03455	5.1
59.01385	100.0
60.01730	2.0
69.03464	1.1
69.25565	3.5
69.25998	3.2
71.01383	7.1
71.05016	0.9
73.02969	4.1
75.00865	0.8
79.86539	0.6
83.01422	1.2
83.05006	1.6
85.02950	5.5
85.06591	1.2
87.00892	1.7
87.04508	1.1
89.02473	2.3
97.06615	1.6
99.00903	1.3
101.02467	4.6
109.06632	0.8
113.02450	4.0
123.08121	0.7
130.79149	0.8
137.09691	0.7
139.11349	0.9
141.09360	0.7
143.03493	0.7
149.02356	0.8
151.11298	0.7
159.24643	0.7
161.04576	2.3
163.11406	0.7
169.12338	1.2
171.13998	0.8
181.12328	1.3
183.13867	1.7
187.13435	1.0
188.04886	0.9
199.13417	2.0
213.09331	1.0
219.93369	0.7
227.13094	0.9
229.18079	1.1
243.12384	2.7
243.16048	2.4
245.17671	0.7
259.19101	1.1
303.21884	1.9
312.61890	0.7
329.23380	1.7
331.15585	0.8
333.19147	3.8
357.26590	1.9
375.23990	2.4
375.27557	57.2
376.27905	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	375.1952
Annotation	Ovaliflavanone A
Peak:m/z	Relative Intensity
56.56562	1.2
57.80139	1.2
58.92735	1.3
59.01381	21.3
61.76877	1.3
70.09847	2.7
70.10244	3.1
75.00870	6.4
85.90704	1.3
90.61198	1.5
92.47344	1.5
96.96048	4.2
98.20608	2.8
110.89259	1.5
127.97385	1.7
149.02463	1.7
157.06606	1.8
159.08078	2.0
215.07065	1.8
222.06787	1.4
223.07645	3.2
232.05305	1.7
233.06126	1.8
251.07181	13.3
252.07654	2.5
261.12839	4.3
263.07205	7.7
265.08536	2.6
277.21741	100.0
277.63657	1.7
278.22141	13.2
291.10382	3.0
305.11691	3.6
305.19107	3.9
306.12531	2.3
375.19653	77.3
376.19952	13.2
381.62509	1.6
393.20917	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	375.1967
Annotation	Ovaliflavanone A
Peak:m/z	Relative Intensity
56.30514	0.5
58.49723	0.4
60.28887	0.5
65.94155	0.5
69.80948	2.1
98.52398	0.4
136.01682	2.2
143.05026	0.8
145.02969	2.0
157.06584	0.8
159.04523	4.7
161.02496	0.8
161.80052	0.4
173.06075	2.1
174.06862	1.4
175.04091	1.1
185.06093	1.0
187.04019	6.5
188.04767	0.8
190.06378	3.9
201.05588	4.8
202.06363	2.6
202.91629	0.4
211.07365	0.4
215.07048	0.5
227.14398	1.0
251.07140	8.6
252.07614	1.6
261.12799	1.1
263.07156	3.4
264.07605	0.9
271.13403	1.4
291.10178	2.9
292.10797	0.6
305.11780	1.6
305.19254	0.8
331.20624	0.7
333.18634	0.8
375.19675	100.0
376.20041	16.8
376.23996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56562	1.2
57.80139	1.2
58.92735	1.3
59.01381	21.3
61.76877	1.3
70.09847	2.7
70.10244	3.1
75.00870	6.4
85.90704	1.3
90.61198	1.5
92.47344	1.5
96.96048	4.2
98.20608	2.8
110.89259	1.5
127.97385	1.7
149.02463	1.7
157.06606	1.8
159.08078	2.0
215.07065	1.8
222.06787	1.4
223.07645	3.2
232.05305	1.7
233.06126	1.8
251.07181	13.3
252.07654	2.5
261.12839	4.3
263.07205	7.7
265.08536	2.6
277.21741	100.0
277.63657	1.7
278.22141	13.2
291.10382	3.0
305.11691	3.6
305.19107	3.9
306.12531	2.3
375.19653	77.3
376.19952	13.2
381.62509	1.6
393.20917	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	375.1953
Annotation	Ovaliflavanone A
Peak:m/z	Relative Intensity
65.00329	0.4
65.03954	0.2
68.99816	0.5
69.67376	0.5
69.67834	0.5
79.05534	0.6
93.03461	0.5
103.05525	0.2
106.04255	2.1
107.01411	1.0
107.05049	1.5
109.02979	0.4
109.87200	0.2
115.05518	0.2
117.03447	0.3
119.05038	5.4
120.05355	0.3
121.02937	1.1
121.10220	0.2
126.01514	0.1
129.07115	0.6
131.04987	0.2
133.06584	0.3
135.00883	0.2
135.04529	0.4
135.43587	0.1
138.03241	0.4
143.05034	3.0
144.05830	0.4
145.06607	0.5
147.04515	0.4
148.01692	0.3
149.02475	1.8
156.05850	1.1
157.06595	8.1
158.07109	0.7
159.04521	0.3
159.08162	3.5
160.08560	0.3
161.02437	0.7
161.06076	1.3
163.04150	0.2
167.08635	0.2
169.06573	1.3
170.07211	0.3
171.08170	2.6
172.05238	0.5
172.08690	0.3
173.02461	0.7
173.06100	0.5
174.06845	0.5
175.04004	0.8
175.11269	0.3
177.07094	0.2
179.08614	0.2
180.05864	0.2
181.10201	0.2
182.07420	0.8
183.08122	1.1
185.06012	0.2
185.09705	3.0
186.10007	0.2
187.07643	1.1
188.08426	0.6
189.05553	0.7
193.06551	0.2
194.07417	0.2
195.08170	2.9
196.08591	0.2
197.05972	0.2
197.09705	0.7
199.14940	1.0
201.05554	0.4
202.06294	0.2
203.07143	1.1
205.06512	0.2
207.08125	0.8
208.08875	0.4
210.10504	0.2
214.06328	0.8
215.07130	5.2
216.07460	0.5
217.06509	0.2
219.08205	0.4
221.09720	0.6
222.10562	0.2
223.07706	1.0
223.10976	0.2
225.09187	0.5
225.12854	0.5
227.14453	1.4
229.08653	0.5
233.06027	0.9
235.07639	0.7
237.09204	0.7
238.06310	0.2
240.07942	0.4
240.15236	0.5
242.09613	0.4
245.06071	0.2
245.09727	1.5
246.10361	0.2
247.11261	1.7
248.12018	1.0
249.12735	0.5
250.06418	0.5
251.07117	4.5
252.07581	0.7
253.08707	1.5
259.11298	0.6
261.12854	13.3
262.13278	2.3
263.07162	2.2
263.10306	0.3
263.14368	0.9
264.07477	0.2
265.08716	2.7
266.09091	0.5
272.14215	0.6
275.10666	0.2
276.11584	0.6
277.08765	0.5
277.12323	3.8
278.12689	0.4
287.10699	0.3
288.11304	0.2
289.12280	0.3
290.09579	0.2
291.10226	1.3
292.10709	0.2
294.12582	0.3
303.17316	0.2
305.11871	5.1
305.19122	14.8
306.12543	1.1
306.19473	1.9
329.19214	0.4
331.20676	7.5
332.21039	1.5
357.18549	0.3
375.19647	100.0
376.19998	19.6
393.20700	6.4
394.20941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82875	0.5
54.64188	0.5
59.74643	0.4
61.05732	0.4
70.29413	1.5
70.29755	0.6
74.99078	3.0
80.61347	0.5
93.00136	0.9
97.01716	0.4
103.89465	0.5
104.08832	0.5
143.05324	1.0
143.65071	0.5
149.01007	0.8
151.83624	0.6
159.08482	9.5
161.06413	2.0
192.98119	1.1
209.01294	2.0
217.07214	1.9
277.07562	2.3
289.07538	2.0
291.09128	99.9
292.09250	14.9
338.67444	0.5
343.21841	0.5
357.13852	2.0
359.15369	100.0
360.15558	19.3
375.18646	6.8
376.19064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03861	0.7
59.01154	0.9
59.01392	9.4
63.35375	0.7
71.01014	1.0
71.01392	11.5
71.54865	0.9
71.55235	1.0
73.99789	0.7
80.91682	1.0
90.06197	0.7
93.35658	0.9
120.21625	0.7
127.07613	0.8
164.08476	0.9
169.55939	0.8
174.99281	2.9
177.09227	4.9
190.09996	2.2
192.11588	8.3
193.12149	0.9
205.12350	4.1
207.13927	1.5
213.09207	1.7
217.00339	11.1
218.00761	1.0
218.09480	3.0
220.14696	40.6
221.15480	100.0
222.15814	8.8
235.13295	2.0
236.10551	85.0
237.10912	7.0
292.11823	1.1
293.17621	39.6
294.18054	3.7
318.09589	6.1
321.15656	1.7
335.13333	1.2
374.99246	1.0
375.17712	8.5
375.21823	2.1
376.18106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41351	0.5
59.01392	0.7
60.03627	0.5
62.64075	0.6
67.87714	0.6
68.61110	0.5
74.99071	2.8
93.00118	1.2
106.04207	0.8
110.54598	0.7
119.05014	2.4
127.45207	0.9
143.05067	1.1
149.00961	0.9
149.02336	0.7
157.06552	1.8
159.08473	12.1
161.06372	2.8
171.08183	1.4
183.08110	0.9
185.09756	1.4
192.98218	0.8
195.08136	1.0
203.07231	0.7
209.01326	3.2
215.07104	2.5
217.07184	1.5
221.15530	0.8
251.07124	1.7
261.12885	4.7
263.07169	0.7
265.08603	1.0
275.05792	1.2
277.07635	2.1
277.12189	0.9
289.07452	2.1
291.09113	95.5
292.09213	13.9
305.11752	1.8
305.19125	5.6
306.19333	1.8
309.10126	0.9
331.20563	2.4
333.91644	0.7
357.13867	1.4
359.15359	100.0
360.15524	18.7
375.19559	44.2
376.19983	8.1
384.64117	0.7
393.20804	5.5
394.20874	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62749	1.3
55.01884	11.6
57.03444	4.1
58.00592	1.7
59.01387	42.9
61.98858	1.4
63.36626	1.1
69.61724	5.4
69.62138	1.9
71.01389	18.2
72.99313	2.1
73.02956	7.8
75.00878	26.6
85.02946	8.0
87.00880	1.4
88.98820	1.2
89.02449	14.4
95.01394	2.3
98.20641	1.4
99.00955	1.4
101.02451	11.5
111.08192	2.4
113.02456	6.5
119.03515	5.2
123.04494	2.9
129.01961	7.6
133.90350	1.3
142.97678	1.1
147.02988	9.2
156.30093	1.3
164.27466	1.2
165.04059	55.0
165.12863	26.1
166.02754	1.8
166.04300	2.3
166.13225	2.4
181.05023	1.2
182.55186	1.3
183.13916	100.0
184.14264	5.0
188.04732	1.4
195.13866	5.9
209.11922	2.3
213.09250	1.7
213.14877	3.4
222.16794	1.2
222.65062	1.3
227.12915	92.3
228.13176	7.6
253.93109	1.2
268.03802	1.8
283.06039	1.8
357.15500	1.5
357.26712	1.6
375.16418	20.0
375.20270	50.7
375.27448	61.4
376.16504	2.5
376.21030	6.5
376.27768	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	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.7
59.01387	33.1
64.67829	0.7
69.31663	6.6
71.01399	1.3
73.02953	4.3
78.75427	0.7
83.05053	0.9
85.02962	1.1
89.02437	1.3
89.23338	0.8
95.05011	1.0
97.06618	0.9
98.19920	1.2
101.02474	2.0
117.20159	0.8
125.96786	0.8
132.04562	0.9
139.11310	30.4
140.11693	1.9
152.07207	1.5
153.07530	1.7
163.11313	1.4
165.09288	1.1
181.10840	1.1
181.12369	13.9
182.12645	1.4
183.10281	31.5
184.10567	3.0
199.13422	3.8
225.11372	7.8
226.11737	0.8
238.00244	0.8
243.12384	100.0
244.12724	8.3
245.17555	3.5
299.13174	1.3
343.11972	3.0
375.16647	19.9
375.27451	6.8
376.16910	2.9
376.27902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83437	0.4
59.01382	6.4
62.85607	0.4
71.01379	1.4
71.05021	0.7
71.55556	0.6
73.02952	5.6
75.00868	1.9
83.05025	1.2
85.02972	0.9
87.00888	0.5
93.03482	0.9
95.05032	0.7
97.06599	0.9
101.02428	1.0
107.04990	0.5
110.54043	0.4
113.02409	0.9
114.03830	0.5
125.09757	4.1
131.87381	0.5
137.02429	1.4
143.07185	0.5
149.06126	0.4
151.11285	0.5
153.12834	1.0
163.11310	2.8
165.05530	2.3
169.12308	2.6
181.12350	20.7
182.12674	1.7
193.05135	0.9
195.10371	0.6
199.13409	11.5
200.13731	0.8
213.11336	0.7
220.22740	0.4
225.11360	3.7
233.89771	0.5
237.04037	0.5
243.12381	100.0
244.12701	8.0
294.12555	0.4
296.88330	0.4
311.17450	0.4
333.15387	0.5
358.27289	0.4
375.16522	12.6
375.20221	1.2
376.17099	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	375.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	3.7
58.99614	17.1
59.01388	100.0
59.01690	4.9
69.58119	16.5
69.58533	7.3
71.01385	49.5
73.02964	3.4
83.01421	3.7
85.02955	8.5
87.00893	9.5
89.02458	68.0
95.01406	4.4
101.02449	22.7
102.94674	3.4
110.42473	3.0
113.02462	17.3
117.03455	5.3
119.03503	26.3
121.02953	3.8
123.04527	6.6
140.01042	3.7
141.01985	7.9
145.02975	34.3
146.03789	4.9
147.04489	5.8
149.02455	13.0
150.03256	17.2
153.02019	5.3
161.02435	30.5
161.04576	6.3
162.03233	27.4
164.04892	3.7
165.05588	33.7
174.99249	12.9
177.05606	19.7
179.05678	7.4
180.04303	7.9
195.06610	24.7
195.11348	7.1
217.00334	48.3
227.14061	7.0
259.11227	9.5
315.03943	11.7
357.12189	6.1
375.12424	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	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
57.03434	0.4
59.01388	1.3
65.00352	0.2
71.01394	3.6
73.02950	1.1
77.10858	0.2
81.03455	1.9
83.01376	0.4
85.02956	1.6
93.03487	0.3
95.01394	0.4
98.19932	0.4
99.00850	0.3
101.02462	1.1
107.84549	0.2
108.02206	1.2
109.02957	0.3
113.02461	1.4
117.18896	0.2
122.03748	14.5
123.00860	0.4
123.04111	0.7
124.01638	0.3
125.02443	1.2
128.83971	0.2
128.89262	0.2
136.01640	0.4
137.02460	1.4
153.02008	0.4
153.05574	0.2
156.05840	0.4
159.03006	0.4
161.04562	1.1
169.06631	0.4
169.10269	1.6
171.06700	0.4
171.08160	6.1
172.08493	0.6
195.03004	0.5
213.09222	100.0
214.09566	9.5
252.14098	0.2
265.91589	0.2
317.43747	0.2
375.27429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24884	0.9
55.01889	5.3
57.03447	3.8
58.00603	3.2
59.01385	75.7
60.01696	1.3
62.67516	1.0
65.94488	1.0
67.83674	1.0
69.76421	5.1
71.01387	48.7
72.99319	3.1
73.02956	9.6
75.00871	1.9
81.80376	0.9
83.01391	7.8
83.05054	1.8
85.02960	21.5
87.00880	4.3
89.02452	37.6
95.01401	4.6
97.02980	1.3
97.06591	1.6
99.00886	3.5
101.02454	43.0
111.00883	1.5
113.02458	19.9
119.03516	19.4
129.01950	1.9
131.03493	1.6
143.03508	2.7
146.04378	1.0
147.03061	1.6
148.04083	1.6
149.04596	1.9
159.03070	2.5
161.04527	4.8
169.12360	1.7
170.67493	1.1
177.09219	7.7
179.05670	6.4
195.10312	1.5
197.02072	2.3
209.11816	1.2
212.08289	6.0
213.11246	1.2
227.09415	1.3
227.12868	11.1
240.06404	1.4
241.07391	3.0
243.12390	3.5
255.08879	24.4
256.09305	2.1
275.51758	1.2
276.85468	1.0
296.98187	1.0
303.80411	1.0
331.18060	1.0
357.15555	25.3
358.15787	2.9
375.07028	9.4
375.16638	100.0
376.17062	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85794	1.8
57.03453	1.9
59.01386	87.8
62.71872	1.5
71.01388	2.9
71.34152	1.6
73.02938	2.6
85.02982	3.1
88.98815	2.6
101.02471	1.9
123.00901	2.1
125.14802	1.7
134.03735	2.3
139.00398	3.7
149.06439	1.5
183.13959	3.6
193.54825	1.5
210.40137	1.6
223.04010	2.7
224.04834	9.1
225.05183	2.2
227.12990	3.1
239.03612	2.0
240.04257	8.5
255.06731	6.2
268.03793	21.8
269.08377	2.7
283.06152	24.9
284.06503	4.0
285.04071	5.2
329.23291	2.6
357.26685	6.9
373.26047	1.8
375.27548	100.0
376.27979	8.6
387.47690	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	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
62.91223	1.1
69.40585	6.1
69.41003	3.5
71.01384	25.4
72.99301	2.3
73.02949	1.6
85.02959	4.7
87.00884	6.8
89.02455	32.6
90.97162	1.7
95.01376	1.7
101.02458	12.6
108.02167	1.9
110.93626	1.3
113.02457	11.7
117.03461	4.8
119.03535	12.5
119.05050	1.6
131.03487	1.7
132.16902	1.2
132.98210	4.2
133.02991	1.9
135.04535	4.0
137.02411	1.4
143.03522	2.8
145.02953	19.4
146.03705	5.6
147.04518	3.7
149.02499	2.2
150.03233	3.8
153.01924	1.5
161.02464	16.5
161.04607	2.5
162.03249	22.0
165.05588	5.5
174.97758	1.6
174.99249	22.9
177.05569	12.3
178.08740	1.4
179.05644	4.6
180.04272	5.0
186.11414	5.0
195.05052	2.5
195.06636	8.2
200.71812	1.3
213.07791	2.1
217.00316	97.1
218.00639	4.2
218.13969	18.6
294.06854	1.5
311.12866	1.2
339.13083	2.8
357.12085	2.9
374.99115	7.0
375.09631	4.0
376.12967	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
61.18974	0.3
63.02400	1.3
66.11590	0.2
70.80177	0.9
71.01402	0.4
79.01907	0.5
80.02681	1.8
84.78847	0.3
85.02953	0.3
93.50688	0.3
101.02464	0.5
107.01414	1.8
108.02183	42.6
109.02499	1.7
123.00922	2.9
123.04535	100.0
124.04860	4.5
149.02434	0.3
151.00381	25.5
152.00763	1.1
166.02725	44.6
167.03487	5.6
168.03938	0.3
176.01048	0.3
177.01924	1.8
181.05081	32.7
182.05396	2.1
192.04282	1.6
193.04640	0.4
201.46112	0.3
207.06659	0.5
214.81642	0.3
217.00320	0.3
234.41127	0.3
240.58238	0.3
253.01675	0.3
289.90347	0.3
375.10950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1088
Annotation	9beta-Hydroxy-11beta,13-epoxyatripliciolide-8-O-methacrylate
Peak:m/z	Relative Intensity
57.03450	6.8
59.01384	10.8
61.47902	0.5
68.99833	0.9
69.03460	4.3
70.59918	0.4
71.01389	5.6
71.05025	1.0
72.99320	2.8
73.02953	2.7
75.00892	2.4
81.03476	1.0
83.01396	29.4
83.05045	1.8
84.01737	1.2
85.02961	6.6
87.00893	1.6
89.02443	1.2
91.05524	0.8
93.03483	0.8
95.01385	1.6
95.05029	4.9
96.99357	0.6
97.02949	4.2
99.00892	5.2
101.02442	2.3
105.01945	46.3
106.02280	0.6
107.05022	1.0
109.02974	2.8
111.00890	0.7
111.04527	8.1
113.02452	1.8
115.00410	2.4
115.01087	0.4
117.01949	1.9
121.02962	1.2
122.03769	0.4
123.00973	0.6
123.04546	1.7
125.02442	1.3
125.09766	0.8
127.04070	1.0
129.01956	1.7
131.05042	2.3
135.04514	0.8
137.02429	1.2
138.03252	3.7
139.00374	0.6
139.04039	6.8
142.99873	5.6
147.08165	6.0
149.02472	0.8
149.04556	0.5
149.06036	0.6
151.04019	1.9
151.11270	0.7
153.01955	1.8
153.09206	1.9
155.03513	0.7
155.14433	0.7
157.05031	1.0
159.08363	0.4
161.04608	0.4
163.04028	0.5
164.04828	0.6
167.03468	0.9
169.05077	0.7
171.10272	2.4
173.06081	11.4
173.09705	0.5
174.06380	1.0
183.03024	0.7
183.13942	3.7
185.06044	0.6
185.09804	1.2
186.06847	0.4
195.10297	0.6
197.04533	1.0
197.09616	0.5
199.11319	1.2
201.04054	0.6
201.09221	1.0
201.14990	1.3
213.09204	1.2
215.10831	0.8
225.09189	6.5
225.11118	0.7
226.09407	0.4
227.10811	1.7
227.12865	0.5
227.38326	0.4
229.26353	0.4
231.10298	5.0
239.10738	0.7
243.10309	4.4
243.12515	0.7
243.15993	2.0
244.10477	0.5
253.08765	1.3
255.10341	1.2
259.09927	0.6
267.10150	0.9
269.08191	0.8
271.09848	1.5
283.09698	1.2
287.09204	0.9
299.09439	1.4
301.10834	2.0
313.10886	1.6
322.27121	0.4
327.08792	1.2
327.25580	0.5
329.10364	3.8
329.23349	3.5
331.11810	3.9
345.09601	0.8
357.09744	4.0
357.26523	4.0
358.10165	0.7
359.24448	0.6
373.26102	0.9
375.10904	47.5
375.27536	100.0
376.11200	7.5
376.27811	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	374.9925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40394	0.4
59.01386	66.4
60.01720	0.8
60.32815	0.4
69.15778	1.2
69.16186	4.0
90.97147	1.7
94.91617	0.4
118.96669	0.7
128.08887	0.4
132.98207	2.3
174.70920	0.4
174.99266	25.1
175.99629	0.5
191.92854	0.4
194.64272	0.4
217.00319	100.0
218.00700	4.2
271.37360	0.4
374.99323	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	375.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32075	1.3
57.21564	1.4
58.00606	2.0
59.01384	95.2
61.66285	1.4
61.98841	1.4
70.06469	1.2
71.01384	16.3
71.53701	1.3
72.99314	1.6
73.02943	2.0
81.51689	1.1
85.02965	3.6
87.00871	2.6
89.02452	21.4
90.97144	1.9
99.00874	1.9
99.99892	1.4
101.02461	10.4
113.02460	7.3
117.03518	2.4
119.03512	7.9
123.04566	1.7
132.98204	2.5
135.04532	3.8
143.03543	1.4
145.02962	9.2
146.03746	2.2
147.04498	4.2
153.01881	1.9
161.02438	8.9
161.04546	2.1
162.02097	1.4
162.03253	14.1
165.05602	3.4
174.99280	30.3
177.05556	10.4
179.05707	2.1
180.04262	1.9
186.11351	4.5
195.05072	2.9
195.06633	4.8
217.00305	100.0
218.00638	5.7
218.13940	13.9
261.42221	1.3
275.07681	1.9
294.60757	1.3
339.12854	3.8
357.11899	2.5
374.99069	6.1
375.10397	1.7
376.08838	1.8
376.12988	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	374.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.4
69.58010	1.3
72.50520	0.2
77.39283	0.2
84.15526	0.2
85.53364	0.2
86.04160	0.2
94.11078	0.2
100.00398	0.2
101.06081	1.1
115.89442	0.2
124.07679	0.8
148.05086	0.3
149.07196	0.3
153.86452	0.2
173.13792	0.2
174.99251	1.0
189.10365	0.6
194.92885	0.2
205.12027	0.3
206.13124	0.3
217.00296	4.5
232.10928	10.4
233.11264	0.8
272.17773	0.3
274.12671	1.1
289.17929	1.4
290.18777	2.8
316.16675	1.5
318.18274	0.4
358.21463	0.8
374.24500	100.0
374.99319	0.5
375.24838	15.5
380.67361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01498	0.9
59.01384	100.0
60.01727	1.1
60.07133	0.9
61.98836	1.2
65.59334	0.8
70.32658	2.5
81.03474	0.8
89.46282	0.8
91.92326	0.8
96.96016	0.8
98.19975	0.9
109.02966	0.8
137.37407	0.8
142.13103	0.8
147.04582	1.2
174.99194	2.9
212.11665	0.8
213.09219	0.9
217.00304	12.6
223.20705	1.2
232.10837	0.8
239.10695	1.3
242.12584	1.7
253.21675	1.2
311.12863	1.0
314.26953	1.5
315.12375	2.3
316.12674	2.3
339.12411	2.3
374.16669	3.3
374.20905	1.2
374.24518	5.4
375.25748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03434	2.9
59.01383	29.2
61.98824	1.5
67.01919	1.0
68.99818	2.8
69.03452	1.0
69.58052	0.8
71.01389	18.5
71.54743	1.3
72.99319	6.1
73.02962	4.7
75.00880	14.8
80.05067	71.4
81.05399	2.0
83.01391	2.3
83.05043	2.1
85.02957	14.6
87.00880	5.3
87.56982	0.9
88.50616	0.7
88.84268	0.8
89.02464	5.9
95.01401	2.9
99.00893	9.3
99.04536	1.0
101.02457	4.2
103.00381	1.8
109.02933	0.9
111.04491	1.1
113.02461	16.2
115.00334	1.6
117.01920	1.8
119.03479	0.9
120.04557	1.5
121.02960	1.1
122.06146	1.0
124.04054	100.0
125.04382	4.0
129.01889	1.2
132.04552	1.8
138.05603	0.9
139.00357	3.2
147.02919	1.4
148.04071	3.0
149.04510	0.9
149.06006	1.0
154.02728	1.2
154.09523	1.2
155.03085	2.2
161.04544	1.8
165.03996	1.1
169.05034	1.5
170.05478	0.9
175.02512	1.9
183.10240	1.1
198.07739	4.3
198.45558	0.9
212.05583	2.0
227.09265	1.1
227.12932	6.9
231.05104	1.9
242.10889	1.0
243.12376	7.5
249.06169	23.9
256.12723	1.2
267.07248	7.6
314.08899	1.6
331.12875	1.0
356.09894	3.5
374.10919	84.1
375.11447	10.8
375.16516	4.5
375.20496	1.4
376.04083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2597
Annotation	oscr#24
Peak:m/z	Relative Intensity
54.07715	0.4
57.03452	2.6
59.01384	4.5
61.59171	0.4
64.42046	0.4
69.03471	0.6
71.01365	1.0
71.05022	0.4
71.54925	0.7
73.02950	1.4
74.63602	0.4
76.27026	0.4
78.47208	0.3
83.05030	0.4
85.02914	0.4
87.04521	0.6
88.77657	0.4
89.02450	0.6
95.05042	0.3
97.06615	0.5
97.52025	0.4
101.02424	0.4
104.87615	0.3
111.08171	0.9
113.02478	0.5
116.36374	0.4
121.02946	0.5
123.08131	1.3
125.09729	3.0
127.11298	3.0
132.04553	0.7
137.09695	2.2
141.09207	0.6
143.10794	0.5
152.07182	0.6
153.09227	0.7
153.12794	0.6
155.10796	1.9
171.10266	10.5
172.10655	0.7
206.04562	0.8
210.91075	0.4
211.07639	0.7
229.14461	1.0
230.15179	0.6
267.11163	0.5
268.08463	0.7
283.11017	0.5
295.22812	0.5
297.12473	0.5
327.21823	0.7
341.11331	1.1
343.13049	0.9
343.24966	0.7
355.24915	1.7
371.24493	1.1
373.25958	100.0
374.26309	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	373.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
59.01382	19.5
61.38803	0.7
71.01411	0.8
71.54568	1.0
71.62704	0.8
93.03426	0.9
93.07093	1.0
95.05017	1.1
97.06587	1.7
108.02222	0.8
121.02948	0.9
121.10239	17.7
123.08176	1.5
125.09718	7.6
127.05561	1.2
141.12790	1.2
147.08139	1.1
151.03911	0.9
165.01942	1.0
169.06580	1.2
185.06171	1.3
185.11839	12.6
197.11839	3.2
197.13455	1.1
207.10052	4.4
209.11850	0.9
211.13365	1.2
220.15987	0.9
223.11270	1.9
225.12885	2.3
238.13660	1.8
241.12282	1.1
245.19110	7.3
259.13657	0.8
270.12558	1.7
273.18729	1.4
275.10828	1.1
280.70529	0.9
291.19672	70.9
292.20059	8.4
296.11301	0.9
303.17563	1.0
311.16391	1.1
313.17862	100.0
314.18182	11.0
329.19205	2.5
369.41205	0.9
373.18079	31.5
374.18396	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	373.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.4
59.01386	41.2
61.98825	4.2
71.01388	3.2
71.54851	3.8
81.03468	14.3
85.06601	9.5
87.04507	4.6
91.21869	3.8
95.01395	7.5
95.42065	3.6
96.96011	10.4
107.05021	8.8
108.02164	3.6
111.00895	12.8
111.04516	25.4
121.02937	4.3
130.28305	3.4
135.04549	32.7
151.03993	5.7
153.81964	3.4
161.06155	3.9
165.01941	14.7
167.03499	4.7
187.07671	9.8
197.09656	5.0
200.53091	3.5
201.12851	5.5
225.09204	6.6
226.09987	37.9
227.10744	4.0
227.14368	4.0
241.12373	61.7
242.12535	3.9
243.05804	3.3
279.17560	5.9
283.02615	5.5
287.16415	3.9
293.15710	6.0
297.18591	66.3
298.04810	4.0
298.18909	7.8
311.16617	7.9
311.20053	5.6
313.07104	7.1
313.17950	3.5
329.17752	6.7
329.21188	27.8
330.21979	4.1
340.23004	3.4
373.16464	100.0
373.20389	13.0
373.29807	5.1
374.16867	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	373.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15657	0.5
59.01389	4.4
68.68487	0.4
71.01383	0.6
98.20684	1.0
108.02170	0.9
124.01684	0.7
127.42477	0.5
135.04562	1.9
151.04138	0.8
153.01920	0.6
157.87407	0.6
165.01917	1.1
165.12865	0.6
167.03493	1.8
174.20715	0.5
187.03958	0.5
205.05135	1.0
225.09097	0.7
226.09949	2.4
241.12366	2.9
247.20656	0.5
273.18542	0.6
277.19104	0.5
286.65436	0.5
291.19696	100.0
292.20035	12.2
293.15515	0.5
311.16403	0.5
313.17883	0.7
331.17471	0.7
356.09622	0.5
373.16794	2.9
373.20245	20.3
374.20682	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	373.187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.6
59.01384	100.0
60.01719	1.5
65.05923	0.5
69.26774	2.6
69.27197	1.2
71.01391	6.2
71.05051	0.4
73.02975	1.1
75.00903	0.4
80.05070	7.4
82.06252	0.5
83.01360	0.6
85.02963	3.4
87.00887	0.5
89.02448	3.7
90.44510	0.4
95.01408	0.5
98.19945	0.9
99.00906	1.3
99.04471	0.5
101.02437	3.0
104.05068	6.3
104.05707	0.7
108.04563	53.7
108.37119	0.5
109.04925	1.9
113.02442	3.6
113.63103	0.5
119.03510	1.0
122.25546	0.4
132.04567	36.9
133.04918	1.7
148.04065	4.4
149.04501	1.1
152.07201	0.9
158.02556	0.6
160.04097	0.6
161.04625	2.1
164.07167	0.6
176.03525	4.3
181.12338	0.7
188.03447	0.6
190.05170	0.5
190.18076	0.4
197.11920	1.7
208.06192	4.2
211.07741	0.9
225.10353	2.4
229.09866	3.1
241.10835	1.7
241.14595	2.0
251.08376	1.6
253.09856	16.5
254.10263	1.8
269.09430	1.6
279.07852	1.5
295.07343	0.7
297.08813	31.7
298.09097	2.8
311.10880	0.5
323.06705	0.5
329.11435	14.5
329.15274	0.8
330.11929	1.9
331.17789	1.3
341.07938	0.9
355.09421	2.6
373.10199	7.7
373.14267	1.2
373.22192	0.8
374.11093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
59.01385	100.0
69.24098	8.4
71.01392	10.0
73.02959	4.1
73.13519	0.7
80.05065	1.4
81.88733	0.7
83.01392	2.1
85.02953	4.9
89.02461	3.5
94.06633	1.4
95.01406	1.3
98.19917	1.7
99.00905	1.1
101.02472	6.5
104.05063	3.1
105.97015	0.7
107.03776	2.8
107.50387	0.9
108.04588	4.6
111.26031	0.7
111.62189	0.8
112.24828	1.0
113.02452	5.7
119.03498	1.5
122.06126	19.5
132.04567	40.4
133.04895	1.3
134.06139	3.0
137.09732	0.9
148.04076	1.8
149.04512	1.6
152.07184	41.6
153.07495	2.5
160.86806	0.8
161.04555	2.9
169.12349	1.2
176.03539	4.8
178.02519	0.9
181.08669	1.3
197.11835	8.6
208.06093	0.9
210.06447	1.4
211.06693	1.5
229.09831	1.5
241.10802	7.6
259.10934	1.6
269.12952	2.2
273.12500	2.9
297.09232	1.5
297.12408	14.2
298.12851	2.5
312.17609	0.9
313.11887	1.1
331.17593	3.0
341.11447	45.7
342.11771	6.2
373.14374	6.8
373.25986	2.2
374.14645	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	373.1872
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.94676	0.6
55.01887	1.1
57.03447	1.4
58.00588	0.8
58.29823	0.6
59.01385	100.0
60.01731	1.1
71.01387	19.7
72.99326	1.1
73.02955	16.5
73.03365	0.9
79.09338	0.5
83.01389	3.6
85.02956	8.0
87.00859	1.4
87.04540	1.6
89.02448	9.1
95.01402	1.8
98.19859	1.0
99.00896	1.4
101.02452	18.4
111.08142	0.5
113.02465	9.2
119.03493	4.5
122.06148	0.8
127.66116	0.6
131.03560	1.2
131.75491	0.6
132.04611	1.4
143.03569	1.1
149.04532	0.7
152.07205	2.1
161.04601	3.3
161.73007	0.5
169.12393	0.8
171.10350	1.3
179.05634	1.0
185.11923	1.3
193.05115	0.7
229.09329	0.6
285.04456	0.7
331.17783	1.9
341.11386	2.7
355.25046	1.3
373.18573	0.6
373.26065	10.9
374.26321	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	373.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75283	0.5
55.01895	0.9
57.03466	1.3
59.01385	100.0
60.01722	1.4
69.03496	0.7
69.43001	2.1
69.43428	2.3
71.01392	12.8
72.99330	0.8
73.02959	5.1
83.01402	2.6
85.02953	5.9
87.00903	2.1
89.02476	4.0
95.01398	1.6
97.03020	0.8
98.20739	0.7
99.00902	1.1
101.02458	9.1
113.02476	6.4
115.01259	0.6
119.03533	1.7
125.02418	0.6
127.07651	0.7
131.03532	2.3
132.04564	0.9
143.03506	0.8
151.11380	0.9
152.07204	0.9
153.02011	0.8
159.02991	1.0
160.96661	0.5
161.04572	6.3
171.10345	0.8
179.05624	0.8
203.05640	1.1
211.76828	0.7
221.06683	6.2
230.41103	0.7
331.17706	2.7
332.17798	0.8
373.26013	10.8
374.26324	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	373.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.5
57.03449	1.8
59.01385	100.0
60.01741	0.9
65.56268	0.9
68.05035	0.9
69.03459	1.2
69.26865	6.0
69.27274	2.5
71.01386	17.5
73.02956	19.7
79.31002	0.9
80.05060	1.7
81.74706	0.8
83.01398	8.2
83.05061	1.2
85.02940	6.6
87.00845	0.9
89.02441	5.8
95.01391	2.5
97.02959	0.9
99.00899	1.1
101.02462	15.4
104.05070	1.3
104.71134	0.9
108.04562	15.5
109.04774	1.0
109.75989	0.9
113.02438	10.8
117.29014	1.0
119.03526	2.6
131.03659	0.9
132.04581	11.0
133.28574	0.9
134.06201	1.2
143.03493	1.2
149.04553	3.6
153.01935	2.0
155.03548	1.1
161.04559	3.0
162.05615	2.2
163.03735	1.1
176.03508	2.0
179.10771	1.0
197.11853	9.4
229.18134	7.6
241.10931	7.2
241.14548	5.1
253.09843	3.4
283.46048	1.0
297.08838	11.2
311.10468	2.2
329.11407	3.4
369.25400	1.0
373.05768	1.0
373.10257	2.3
373.14774	2.0
373.22644	5.8
374.22626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
57.03451	2.8
58.00590	0.9
59.01384	100.0
60.01722	1.1
62.21216	0.6
64.42098	0.6
69.03444	1.3
71.01389	20.3
71.05028	0.7
71.54888	0.8
72.99306	1.3
73.02953	20.3
75.00900	1.0
75.89391	0.6
79.95711	0.7
81.35664	0.6
82.59888	0.6
83.01392	6.3
85.02953	5.5
87.00887	1.5
87.04524	1.8
89.02444	8.0
95.01392	1.2
97.02940	1.1
97.06625	0.8
99.00903	1.7
101.02448	21.8
101.06111	1.3
109.02919	1.1
111.00858	0.8
112.39526	0.6
113.02458	10.0
113.10917	0.6
117.27158	0.6
119.03487	1.5
123.00913	1.4
125.02466	1.3
125.09715	0.9
131.03487	2.3
139.11310	1.5
143.03514	1.0
147.04520	1.5
149.04633	0.8
159.02945	0.7
161.04576	4.6
168.03009	4.3
169.03418	3.9
169.12338	0.7
181.12321	1.2
183.10191	1.0
190.72215	0.6
197.11829	1.4
199.13448	0.8
225.11345	1.4
229.18118	0.8
232.75412	0.7
241.10760	0.8
243.12390	2.7
243.16066	1.1
255.16028	1.3
257.08264	0.7
299.75607	0.7
313.10898	2.5
321.82556	0.9
331.17657	1.5
343.12167	0.9
373.09152	1.0
373.13245	2.3
373.26016	26.6
374.26392	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76141	0.7
53.50655	0.6
57.03452	0.8
59.01383	6.4
64.00130	0.6
65.56681	0.5
70.69003	1.6
101.50893	0.6
110.43050	0.6
123.00909	3.8
124.01676	100.0
125.01994	3.5
139.04028	63.0
140.04356	2.4
165.01955	1.2
207.07939	0.6
241.12357	1.1
298.65692	0.6
311.90875	0.8
373.16510	2.4
373.20468	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	373.1808
Annotation	Maximaflavanone A
Peak:m/z	Relative Intensity
59.01374	1.1
66.96889	0.6
69.88602	3.0
79.05562	0.7
84.65817	0.7
85.02961	0.6
85.17413	0.6
90.55043	0.6
92.24780	0.7
107.05022	0.8
108.45254	0.7
117.03452	0.8
129.83609	0.6
169.05316	0.7
169.06548	3.0
180.05809	0.8
183.08130	0.6
187.04047	1.4
193.06560	1.2
197.06108	1.5
198.06955	1.3
207.08159	1.3
208.08995	0.7
209.05994	1.1
219.08144	1.6
221.06065	0.9
222.06758	0.7
223.07613	1.7
225.05643	1.0
227.07143	5.9
228.07541	1.0
231.08080	0.9
231.11797	0.9
232.08907	2.0
233.06157	1.4
233.09665	1.8
234.06856	2.4
235.07600	2.0
237.05618	0.9
241.12636	0.9
243.08188	3.4
244.08649	0.8
245.09633	3.6
246.06958	1.2
246.10413	2.6
247.11296	2.6
247.89722	0.6
249.05623	2.0
251.07120	8.7
252.07809	3.1
257.09763	3.9
258.10184	1.2
259.07690	1.2
259.11301	5.8
260.08334	1.1
261.05688	1.7
261.09225	5.7
262.06088	0.9
263.07166	14.6
264.07889	21.5
265.08289	2.8
273.09259	1.3
275.07626	1.3
275.10812	6.1
285.09256	6.4
286.09982	3.1
287.07495	1.5
287.10822	4.2
288.07974	1.3
288.11050	1.0
289.08731	6.8
290.09091	1.4
292.11026	0.8
303.10287	46.9
304.11020	43.8
305.11496	4.8
327.17694	0.9
329.19125	1.8
336.10065	0.9
345.18539	6.3
355.17065	3.9
356.17297	0.8
373.18103	100.0
374.18420	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	373.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13319	1.3
70.76886	2.7
72.85159	1.2
87.79608	1.3
91.40457	1.2
103.88129	1.3
108.02180	43.7
109.02530	1.4
116.26745	1.2
123.04543	23.1
124.04875	1.4
131.90439	1.2
152.01137	2.1
167.03508	100.0
167.14583	1.3
168.03815	4.6
188.08243	1.2
196.75702	1.3
207.74031	1.2
219.85886	1.2
301.57742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.166
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
53.69613	0.2
54.08477	0.2
57.03453	0.4
57.69868	0.3
69.27281	2.2
70.72692	0.2
71.05031	0.8
87.04516	3.5
103.83672	0.2
107.05041	7.5
108.05358	0.4
109.02888	0.2
122.03707	0.3
135.04541	30.9
136.04858	1.6
147.04541	0.3
149.06079	0.4
163.82956	0.3
165.05566	0.3
181.10234	0.4
211.07587	0.5
225.09213	5.2
225.11356	0.4
226.10004	38.5
227.10393	4.1
237.09225	6.8
238.09827	1.5
239.10863	0.7
241.12363	60.7
242.12704	6.5
253.12283	1.2
270.09070	0.4
277.12460	0.4
278.13214	1.1
281.11707	0.3
281.15359	0.3
293.15512	6.8
294.15817	0.9
295.13443	0.8
299.09439	0.3
311.16550	9.1
312.16818	1.1
329.17593	3.3
330.17972	0.6
373.16589	100.0
374.16931	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	373.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37904	0.8
59.01388	1.9
60.00099	0.7
70.08875	3.3
75.00864	1.7
76.40810	0.7
80.02678	1.6
92.56234	0.8
106.66457	0.8
108.02180	45.7
109.02487	2.1
123.04532	26.5
124.04860	1.4
152.01146	2.8
167.03506	100.0
168.03844	6.1
174.08316	0.9
186.43733	0.8
208.01285	0.8
220.60492	0.9
231.65556	0.9
241.12215	1.4
254.05341	0.8
303.18073	0.9
327.22421	1.0
373.16837	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	373.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49210	0.6
70.72462	1.5
76.73084	0.5
80.02680	1.9
94.37545	0.5
98.56698	0.6
108.02184	43.1
109.02460	1.3
123.04542	24.9
124.04890	0.8
135.49435	0.6
152.01173	2.6
167.03514	100.0
168.03831	4.1
224.74460	0.7
277.31226	0.7
366.42355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18822	0.3
59.01384	6.6
59.01688	0.4
60.44139	0.3
69.91359	0.3
71.01383	0.6
71.54634	0.4
73.02965	0.4
75.00874	0.3
75.53304	0.3
77.81500	0.3
78.37038	0.3
80.05058	2.3
83.01421	0.3
85.02958	0.4
89.02481	0.5
92.05058	0.5
94.06638	3.3
95.23935	0.3
99.00928	0.4
101.02460	0.5
102.02859	0.3
102.90505	0.3
104.05071	9.1
105.05442	0.4
106.06634	1.1
107.03773	6.4
108.04575	11.2
109.04893	0.3
113.02494	0.3
116.05076	0.3
120.04556	1.3
121.05343	0.6
122.06134	43.5
123.06457	2.2
124.07698	2.0
131.03807	0.3
132.04567	86.8
133.04904	4.3
134.06145	3.6
135.03117	0.4
138.05611	0.3
139.02791	1.6
141.37889	0.3
144.04558	1.0
147.03224	0.5
148.04056	6.3
149.04523	0.6
150.05623	2.8
152.07185	99.0
153.07544	5.4
158.02510	0.3
160.04054	0.8
162.05635	0.4
176.03546	10.8
177.03876	0.6
188.03526	2.5
189.04074	0.5
190.05112	0.8
197.11896	0.6
208.06201	4.5
209.06575	0.4
220.06189	0.4
239.11855	0.5
241.10907	0.4
241.12070	0.4
241.14429	3.8
242.14825	0.5
267.11328	0.3
269.12967	6.3
270.13297	0.8
273.12488	7.8
274.12894	0.8
297.12457	33.2
298.12738	4.0
313.11954	3.5
314.12137	0.6
329.11133	0.4
341.11438	100.0
342.11780	13.4
342.16016	0.5
373.09512	0.8
373.14029	14.4
374.14429	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03512	1.0
56.44748	1.2
57.03455	7.4
59.01383	100.0
60.01703	1.4
64.48825	1.1
66.03384	1.1
69.03444	1.0
69.56222	7.5
71.01389	7.9
71.05004	1.7
71.37498	1.1
72.99303	5.1
73.02940	4.5
80.75808	1.0
83.01398	1.3
85.02959	5.6
86.00134	1.3
87.00864	1.1
89.02480	2.9
89.71791	1.0
95.01379	1.2
97.06571	1.6
99.04536	2.0
101.02441	4.1
111.04499	1.2
113.02437	5.2
119.03461	1.3
119.08663	1.4
125.09759	1.2
135.06104	1.2
135.73239	1.1
136.05301	2.6
137.09740	4.5
149.04570	7.6
161.04552	2.2
163.11351	2.0
165.07149	1.8
165.12846	4.2
167.07921	1.3
175.11253	3.2
178.10036	1.5
179.10797	12.7
181.08760	8.6
181.12256	1.3
183.33725	1.2
193.12357	20.7
197.11855	45.7
198.12189	2.6
209.06093	7.7
209.11827	2.6
210.06506	6.2
211.06734	9.5
221.11929	2.7
225.11389	2.1
231.10353	1.7
237.11322	39.3
238.11682	3.0
241.08319	2.2
241.10805	34.9
241.14423	1.6
242.11121	3.3
255.15933	1.4
327.14502	11.4
328.14914	1.4
337.12955	1.4
355.14111	8.5
356.14127	1.2
362.72482	1.3
373.15042	35.2
373.25989	11.7
374.15524	4.2
374.26410	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	373.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.1
59.01385	100.0
60.01720	1.5
60.99324	0.9
69.03463	1.3
69.17557	7.3
69.17885	1.3
71.01390	3.7
73.02971	2.2
75.45118	0.6
83.01402	0.9
85.02957	1.9
85.26360	0.6
87.00906	1.2
89.02455	5.8
98.19850	1.5
99.04543	1.2
101.02481	1.5
113.02478	1.7
119.08732	1.0
122.06139	1.6
123.04527	0.7
131.03499	1.6
132.04594	5.1
137.09724	3.1
139.71645	0.7
149.04572	20.7
149.05711	1.2
152.07236	4.1
153.01939	4.0
153.09210	1.1
168.04343	2.7
169.05055	1.1
179.10861	1.7
181.08702	7.3
181.12358	1.4
190.08469	0.7
195.18207	0.7
197.11842	49.5
198.12207	2.5
225.11417	2.1
241.10854	27.4
241.14421	3.7
242.11276	1.9
255.12415	1.5
297.12650	1.7
297.41785	0.7
311.10516	1.5
313.11069	0.8
341.11496	3.7
349.15707	0.7
373.10361	1.4
373.15012	14.7
374.15622	2.0
381.77679	0.7
384.58472	0.6
399.80246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
59.01384	39.6
60.27363	0.7
64.05271	0.8
69.14393	0.6
71.01382	4.7
73.02951	3.7
80.05055	1.4
83.01384	2.0
85.02949	3.1
89.02450	2.0
94.06622	2.4
98.19880	1.8
101.02463	3.6
104.05067	7.0
107.03788	5.5
108.04584	9.6
111.00915	0.7
113.02457	2.6
114.02780	0.8
122.06136	38.7
123.06499	1.4
124.07661	1.5
132.04570	73.3
133.04904	4.3
134.06145	3.9
137.05995	0.8
137.09711	0.9
139.02744	1.8
144.04611	1.2
147.03224	0.8
148.04066	5.9
150.05582	2.3
152.07185	85.0
153.07526	3.3
160.04065	1.1
160.17569	0.7
160.33653	0.8
162.05573	1.5
164.07195	1.1
172.97900	0.8
176.03543	7.7
181.08752	1.0
188.03503	1.4
197.11842	6.0
198.12212	1.0
208.06108	2.3
220.64499	0.9
229.50287	1.0
241.10855	9.4
241.14465	2.6
264.06476	0.9
269.13025	6.0
270.13080	1.3
273.12418	8.4
274.12891	0.8
297.12476	29.6
298.12726	3.6
313.11862	5.0
331.17432	0.7
341.11444	100.0
342.11755	11.9
373.09698	1.2
373.14297	8.3
374.14532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06564	1.2
57.03446	2.8
59.01388	28.7
61.98835	2.0
69.03455	1.8
70.65786	4.2
71.01398	6.9
73.02966	2.4
75.00899	4.0
81.03477	4.2
83.01411	4.7
85.02964	4.4
87.00877	3.1
89.02456	5.5
95.05087	1.5
101.02454	3.3
101.52348	1.2
109.03007	1.4
111.00868	1.7
113.02485	3.2
121.06609	1.6
123.04543	20.4
124.04888	1.4
125.02458	14.4
129.02003	1.7
132.04572	2.4
137.09790	2.8
139.00391	100.0
139.07617	1.5
140.00716	4.8
149.02510	2.7
149.06091	1.3
151.00284	2.3
151.04027	2.6
151.07758	1.3
153.01984	3.6
153.09236	1.6
154.02734	75.7
155.03038	3.9
163.07716	1.3
163.11224	1.7
165.04111	1.7
167.03510	74.8
168.03928	3.4
169.05081	66.0
170.05449	3.8
177.04105	1.3
181.08736	7.6
193.05086	8.1
195.05219	1.6
210.06940	3.0
211.06038	10.0
211.07895	1.5
225.07744	3.7
225.11301	17.5
226.11745	2.0
241.10797	5.2
257.12943	1.5
301.11954	1.2
313.03418	1.6
373.05768	2.4
373.10587	2.6
373.15033	7.4
374.14523	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	373.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01385	50.0
60.01717	0.5
68.99828	1.2
71.01393	3.8
71.05026	0.4
72.99322	0.5
73.02960	1.3
77.10602	0.4
80.05071	11.1
82.68095	0.4
83.74529	0.4
85.02964	1.7
89.02466	1.8
95.01427	0.5
99.00897	1.1
99.04506	0.5
101.02457	1.6
104.05074	9.7
105.05413	0.5
108.04567	100.0
109.04287	0.4
109.04915	2.8
113.02459	2.3
115.02930	0.4
116.05121	0.5
119.03533	0.5
120.04593	0.6
123.01011	0.5
124.01588	0.5
131.03590	0.7
132.04568	76.1
133.04893	4.1
137.09744	0.9
138.05583	0.6
144.04518	1.4
147.03265	0.7
147.04506	0.5
148.04057	8.7
149.04553	2.5
152.03534	1.0
152.07178	1.4
152.60352	0.4
153.01994	1.0
158.02509	0.4
160.04051	1.3
161.04613	0.5
162.05661	0.4
163.03938	0.6
164.03516	1.0
164.07196	1.7
168.04294	0.6
176.03545	9.3
177.03947	0.8
181.08772	0.6
181.12350	1.3
188.03445	0.5
190.05106	1.3
197.11858	5.2
208.06178	6.5
209.06528	0.7
220.06142	0.7
223.08824	0.5
225.10199	5.1
226.10661	0.7
229.09851	5.2
229.96959	0.5
241.10843	4.8
250.07336	0.5
251.08272	2.8
253.09846	30.4
254.10211	2.6
255.12532	0.5
267.07809	0.5
269.09253	3.0
279.07800	3.3
280.07962	0.5
295.07120	1.6
297.08835	58.9
298.09158	8.1
311.10373	0.8
313.10876	1.4
323.06772	1.5
329.11453	29.1
330.11725	4.2
331.17676	1.2
341.07651	2.3
341.11401	0.7
343.11771	1.0
343.84360	0.4
355.09348	4.8
356.09567	1.0
373.10275	14.9
373.14490	1.6
374.10672	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0932
Annotation	6-Deoxyclitoriacetal
Peak:m/z	Relative Intensity
53.22313	0.2
53.75031	0.2
54.91188	0.2
58.03368	0.2
63.02422	0.4
65.00330	27.6
66.00667	0.6
68.99829	0.4
69.34637	1.9
71.01366	0.2
88.52192	0.2
89.00340	9.4
90.50877	0.3
91.01901	4.8
93.03522	0.4
93.68038	0.2
96.30946	0.2
97.02958	17.5
98.03305	0.6
106.00578	0.3
118.32349	0.3
121.02964	7.4
124.01653	2.0
126.11322	0.3
136.07668	0.3
138.03236	0.4
139.04022	1.9
149.99603	7.4
151.00006	0.2
165.01941	100.0
166.02281	6.1
167.03529	0.4
177.01985	0.8
183.03009	1.0
192.04352	0.5
201.75977	0.2
207.06648	0.6
213.01952	0.4
244.03789	0.3
256.03647	0.4
257.00842	0.6
259.80237	0.3
272.03262	1.2
283.02420	0.3
285.00269	0.4
297.04153	0.4
300.02795	0.9
313.23755	0.2
314.04288	0.7
315.05121	5.5
316.05472	0.7
329.06665	1.0
330.07428	0.8
334.13593	0.3
355.08246	0.9
373.09305	6.0
374.09601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46924	0.5
69.93498	2.8
80.02682	2.8
82.07831	0.6
84.31178	0.6
93.31099	0.6
95.01392	1.4
98.61908	0.5
100.75262	0.6
105.03450	0.9
108.02183	75.1
109.02502	2.5
116.81561	0.5
121.02956	1.6
123.00905	5.1
123.04534	46.0
124.04877	1.7
134.03726	0.6
137.02420	1.6
138.03259	3.2
145.32242	0.5
147.00778	0.6
149.02470	1.5
149.06100	1.5
151.00352	1.6
152.01140	3.4
153.05605	0.7
165.01949	6.4
167.03508	100.0
168.03835	5.6
169.29866	0.5
176.01183	1.3
180.04303	5.4
184.05302	0.5
190.02774	0.7
193.01427	16.1
194.01759	0.7
195.06616	3.7
197.60493	0.6
202.50079	0.5
208.03772	25.2
209.04109	1.5
212.04723	2.8
223.06139	36.5
224.06479	2.1
225.38387	0.5
240.04231	3.3
241.01460	0.6
255.06650	4.2
256.03857	0.9
257.04358	0.9
271.06296	0.7
284.03244	1.2
299.05649	4.7
314.07977	3.6
329.10236	1.0
337.20709	0.7
373.25949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	32.9
63.90012	6.7
67.16781	6.2
67.36147	6.4
69.56238	14.1
69.56642	44.4
83.01373	8.3
83.05019	9.1
93.04792	7.7
98.19906	14.6
102.43906	7.0
108.02204	37.2
115.27615	7.9
123.04525	29.8
148.57433	6.7
153.01939	7.6
165.01903	17.2
167.03543	92.5
174.10214	7.0
238.09373	9.6
241.12222	9.9
249.04745	8.1
291.19714	100.0
291.78397	6.6
340.12863	12.7
373.16312	22.8
373.20120	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	372.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98834	32.7
63.12718	18.6
65.00353	37.4
71.55046	26.4
96.96021	37.0
121.02956	34.8
135.04504	51.5
163.56535	20.8
165.01920	61.7
167.03467	26.9
226.10004	35.7
237.25223	23.6
241.12309	51.8
313.10608	21.8
314.03928	69.3
329.06122	45.1
336.95328	22.3
344.08490	32.3
372.15433	25.1
373.16559	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.3
71.46526	3.2
71.46848	2.6
108.02179	35.1
117.03450	2.3
123.04536	20.1
139.79028	2.0
143.10786	2.4
150.70177	2.0
152.01128	3.0
165.01955	2.5
167.03508	100.0
241.12425	2.8
373.16589	7.2
373.20624	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	371.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.2
59.01383	18.2
69.17128	5.2
69.17542	16.0
71.01389	10.0
73.02972	2.9
80.99390	2.0
83.01410	5.4
85.02975	3.9
89.02459	2.5
93.03475	4.2
95.01414	3.2
99.00915	2.1
101.02467	5.5
107.05071	13.0
108.02210	10.3
109.02971	3.3
113.02458	3.8
117.03502	3.9
121.02998	6.3
122.03730	5.1
130.04256	4.9
132.02211	3.2
134.03799	2.2
135.00888	6.3
135.04546	43.2
137.02495	9.0
137.09760	4.2
143.04996	3.6
145.02968	20.5
147.03371	4.5
147.04549	74.7
148.01671	8.4
148.04961	3.0
149.06091	2.7
153.01961	2.0
157.86507	2.2
158.03839	2.0
159.04546	9.6
161.02538	3.2
162.05661	2.2
163.00421	2.1
165.05594	18.6
173.04721	2.4
173.06058	12.1
175.03990	3.0
177.01894	2.8
179.03514	3.8
187.07669	8.2
191.03583	7.5
191.14516	1.8
193.04932	2.1
195.08127	1.8
196.07278	1.8
209.06047	1.9
209.15442	4.4
211.07504	2.4
212.08456	7.8
221.09727	15.1
223.07733	3.5
223.09781	17.4
225.09227	38.7
226.10004	41.2
227.01561	2.0
227.10757	22.7
235.07655	45.7
236.08322	19.6
237.09093	3.7
239.03458	2.0
239.07059	4.3
239.10796	3.2
241.12337	40.0
242.12576	2.6
249.09128	3.1
250.06364	14.5
251.07034	4.3
251.10789	100.0
252.11061	10.1
253.08734	9.5
254.09352	3.4
255.10219	8.9
257.11832	4.0
265.08722	83.0
266.09204	18.3
267.10141	3.0
268.07471	13.3
269.11844	93.0
270.12152	9.9
275.10959	2.8
291.13928	16.1
295.09735	7.7
309.15021	21.9
310.15543	3.9
313.07275	2.7
313.10828	34.2
314.11185	4.1
327.16107	18.8
328.05939	2.2
328.16318	3.1
371.15088	43.7
371.24356	8.0
372.15250	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	371.1615
Annotation	GS-2
Peak:m/z	Relative Intensity
53.49992	0.3
57.03446	1.6
59.01377	1.5
63.07489	0.3
69.50556	2.0
83.01420	0.8
93.03514	0.5
98.19905	0.5
106.04263	0.3
108.08207	3.0
113.01146	0.3
119.05055	0.4
121.02988	0.7
121.05360	5.8
128.35336	0.3
130.03008	2.7
131.03780	2.5
132.04575	4.8
134.03751	1.3
134.06155	0.6
135.03284	0.5
136.07693	100.0
137.08049	4.7
145.93727	0.3
146.06137	1.4
147.03244	0.5
148.04036	0.9
150.01973	0.4
152.03577	0.5
153.04330	2.7
158.02499	8.1
160.04092	1.3
162.05638	4.0
176.03505	1.0
183.08127	0.6
188.70284	0.4
190.05109	31.1
191.03986	0.4
191.05453	2.2
192.06670	0.9
197.09729	2.7
199.07718	0.4
202.05145	0.4
209.06146	0.7
222.07727	26.6
223.08015	1.8
225.09221	10.9
226.09569	0.7
227.07184	1.0
227.10867	0.7
234.07724	0.9
237.09203	0.5
249.09239	0.8
251.07109	1.6
251.14395	0.7
253.05103	0.4
269.08139	0.5
271.06119	1.0
277.12399	0.6
295.13474	0.9
297.04211	0.4
297.14877	0.8
309.15012	0.6
311.13916	0.6
313.07159	1.0
321.11319	0.8
327.16104	1.2
339.13397	4.6
340.13885	0.5
343.16742	1.6
371.16107	50.2
372.16418	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	371.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00574	1.2
57.03439	5.0
59.01387	16.0
62.89923	1.3
67.01859	1.4
67.05263	1.3
68.99828	2.3
69.31536	7.4
69.31961	3.8
71.01383	5.9
71.05023	2.2
73.02952	3.0
81.03495	1.6
83.01402	6.3
85.02919	2.2
87.00890	1.7
89.02427	3.0
93.03468	8.6
95.01397	2.9
97.02978	1.2
99.00918	1.7
99.24503	1.3
101.02444	4.3
107.05036	7.1
108.02173	5.0
109.03008	1.6
113.02430	2.9
119.03597	1.4
121.02982	7.2
123.00866	3.7
125.09720	2.2
134.03754	2.4
135.04543	22.1
136.05408	1.9
137.02448	4.9
139.00414	1.3
145.02959	6.1
147.04510	8.8
149.02402	1.6
149.09676	2.0
151.04034	5.6
152.01135	1.9
153.01775	1.3
161.02448	2.6
161.04544	3.6
163.07648	3.3
165.05548	1.4
173.06102	2.3
174.03238	1.9
178.02693	4.6
187.07564	1.6
191.03563	1.9
191.07161	3.1
193.05035	2.0
199.07640	1.8
203.07126	3.3
205.08682	3.9
209.06075	6.5
210.06781	2.7
211.07736	7.6
212.08455	34.1
213.08855	3.1
221.09717	2.2
223.07645	6.7
223.09804	6.5
223.13307	2.7
225.09213	25.7
226.09964	18.4
227.10789	100.0
228.11096	9.9
235.07649	5.5
236.08405	4.6
239.07104	3.1
239.10793	22.8
240.11136	2.0
241.08640	5.4
241.12325	19.8
241.14548	2.5
242.12825	1.8
250.06349	5.3
251.07179	22.9
251.10744	18.1
252.11186	2.4
253.08730	2.8
254.09196	2.4
255.10283	29.3
256.07422	2.0
256.10828	3.0
257.11966	2.4
265.08713	16.1
266.09177	2.3
267.06522	2.1
269.04410	4.4
269.11844	40.4
270.12241	4.7
277.12186	1.8
279.10373	1.9
281.15347	1.8
283.06192	4.3
284.06921	5.9
285.07645	1.6
291.13913	2.2
293.11945	2.0
294.12607	8.7
295.13156	1.9
299.09161	7.2
307.13406	10.8
309.14999	36.9
310.15198	5.7
313.10809	10.3
320.94614	1.6
323.12875	4.8
327.16028	16.1
328.16544	2.4
329.08087	5.3
336.70007	1.5
341.23480	2.8
353.13901	2.1
353.23282	2.5
367.36166	1.5
371.10437	4.5
371.15021	27.8
371.19217	1.5
371.20490	1.7
371.24426	43.5
372.15338	5.5
372.24738	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	371.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94135	1.1
57.03444	4.8
59.01393	6.5
64.51295	1.2
65.00317	1.8
71.01380	1.5
71.31451	2.0
74.25382	1.2
81.03461	2.2
83.01373	1.4
85.79573	1.2
90.46634	1.1
91.01891	2.3
93.03462	3.3
95.01366	2.0
103.05534	1.1
107.05039	10.8
108.02164	9.2
117.03455	4.5
119.01402	2.5
119.76728	1.1
121.02988	5.9
122.03726	2.5
125.02439	1.4
127.07472	1.3
130.04265	3.2
132.02153	6.7
133.02910	1.6
135.00902	5.5
135.04544	43.3
136.04828	2.2
137.02420	7.7
137.06111	2.6
139.00354	2.8
143.05003	3.8
145.01888	2.3
145.02957	22.8
147.04538	84.6
148.01704	9.8
148.04871	5.0
149.02348	1.7
150.85443	1.1
151.03976	2.2
152.01186	2.3
158.03833	2.7
159.04552	11.4
160.04866	1.5
161.02470	1.3
163.00351	3.2
163.04054	3.0
165.05580	16.7
172.05269	1.3
173.06148	8.2
175.04066	1.8
177.01921	4.1
181.10129	1.5
187.07628	4.1
191.03485	5.6
200.35114	1.1
207.08369	2.0
210.03427	1.3
210.06931	4.3
211.07610	2.6
211.11203	1.9
212.08461	9.5
219.08261	2.3
221.06143	1.7
221.09750	15.6
222.10146	1.6
223.07603	2.7
223.09726	23.9
224.09955	1.4
225.07021	2.0
225.09245	38.9
226.10002	39.4
227.10808	18.1
228.11128	2.9
229.01471	1.3
233.06070	1.3
233.61545	1.2
234.06758	1.4
235.07671	50.5
236.08372	21.4
237.09134	2.9
239.10678	1.8
240.06448	1.7
241.12370	38.0
242.12624	4.8
249.05653	2.0
249.09160	2.9
250.06419	13.8
251.06740	4.4
251.10803	100.0
252.11118	12.3
254.09430	2.5
255.10246	6.3
256.10709	1.5
261.12778	2.9
265.08722	82.7
266.09262	18.4
267.09906	1.7
268.07425	9.9
269.11847	68.3
270.12271	8.2
275.10751	3.8
276.11554	1.6
291.13940	17.5
292.14236	2.9
295.09622	6.4
305.11911	2.6
309.14954	9.4
310.15259	1.4
313.10840	27.4
314.11124	3.0
322.00269	1.4
323.12848	2.2
327.15982	5.7
341.13895	2.6
353.13916	1.7
371.15085	24.3
371.24301	2.2
372.15387	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	371.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34571	1.4
57.03459	11.4
58.55105	1.3
59.01391	5.4
64.00194	1.3
65.30826	1.2
67.01923	1.7
67.16716	1.3
68.58554	1.3
69.48727	9.9
70.19503	1.3
71.05064	2.0
80.89520	1.5
96.96009	2.1
121.02962	1.8
129.18349	1.3
134.03703	1.6
135.04543	1.4
145.02991	5.2
147.04518	4.6
151.04041	2.9
157.06606	1.7
161.02486	5.8
163.04089	1.3
175.03970	1.7
175.07613	1.9
178.66246	1.4
195.02969	5.3
206.09357	2.1
213.09222	5.0
219.06755	1.5
221.09789	1.6
225.09212	3.0
226.09882	2.1
227.07199	2.2
235.07755	7.4
236.08493	1.8
237.09215	100.0
238.09589	11.3
239.10751	3.0
251.10815	13.7
265.08725	6.3
271.06204	2.1
277.12335	4.8
279.10498	1.9
280.11130	11.0
281.08289	3.3
281.15640	3.8
286.08646	8.3
291.13885	4.4
294.12543	1.7
295.09857	6.4
295.13370	63.2
296.13593	7.4
309.14890	12.0
313.14429	2.2
333.51288	1.4
339.12393	96.1
340.12750	15.7
353.13953	6.1
371.14859	12.9
371.18732	1.5
372.15030	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	371.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17489	1.7
57.03450	2.0
59.01388	6.1
69.46398	14.5
83.01370	2.4
93.03482	9.2
95.01419	2.6
107.05035	3.7
108.02195	6.4
121.02948	7.0
135.04541	17.1
136.01701	2.1
137.02484	3.5
145.02997	6.7
147.04555	8.3
149.02518	2.1
151.03986	4.7
163.00356	3.6
165.05568	3.3
166.02571	2.2
167.10773	8.6
168.04575	2.1
178.02684	4.1
191.07217	2.0
195.25505	1.9
202.13977	1.9
205.08720	4.5
208.49571	2.1
211.07695	6.6
212.08438	35.6
213.08839	4.4
223.07581	6.3
223.09770	6.9
224.08319	2.4
225.09213	23.7
226.09967	15.4
227.10796	100.0
228.11115	6.8
235.07660	5.2
236.08298	2.2
239.10794	23.3
240.11191	3.3
241.08646	3.4
241.12312	20.7
242.12735	3.9
250.06329	7.1
251.07147	25.5
251.10748	19.2
252.07722	2.2
252.11060	2.5
255.10281	32.9
256.10791	2.6
265.08655	15.7
266.09201	3.4
269.11829	34.2
270.12079	3.9
277.12274	2.6
291.13718	2.1
294.12653	10.9
297.15039	2.1
299.09164	4.1
307.13339	9.5
309.14963	40.8
310.15497	5.2
313.10855	12.1
323.12930	2.9
327.15921	13.7
371.07764	3.5
371.14883	23.4
371.24252	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11131	0.7
57.03458	8.6
59.01387	8.7
68.99812	0.9
70.85964	1.6
70.86300	1.4
71.01393	2.1
74.57475	0.8
83.01393	4.0
83.05006	1.1
91.01895	1.5
91.05554	1.1
93.03445	5.0
97.02931	1.1
106.04279	4.4
107.05048	1.7
108.02184	1.7
108.08195	2.5
109.02941	2.7
115.05584	0.9
115.73788	0.9
119.05003	1.4
121.02956	5.2
121.05302	3.0
121.06631	1.1
125.02472	1.1
130.02998	1.4
131.03790	1.1
132.04530	3.4
133.02953	1.1
134.03751	16.4
136.01707	0.9
136.07693	58.8
137.02444	2.0
137.07986	2.2
145.06528	1.0
146.06088	1.2
147.08101	1.9
148.04005	1.3
153.04330	1.8
155.08632	2.9
157.06575	1.4
158.02495	6.4
162.05550	2.4
163.07573	1.0
166.02695	3.3
171.04521	1.0
171.08153	3.3
173.06113	1.9
180.05801	0.9
181.06586	2.6
182.07326	1.2
183.08134	7.0
186.06859	1.0
190.05092	19.1
191.05412	0.9
195.08116	3.6
197.09734	28.3
198.10020	3.4
199.07639	4.2
203.07092	1.1
207.08124	2.5
209.06134	7.6
210.06741	1.3
222.07729	13.9
223.07904	1.2
225.09224	100.0
226.09526	10.9
227.07196	8.9
227.10745	2.5
237.09134	2.6
239.10765	1.8
249.09177	6.6
251.07162	15.0
251.14349	5.9
252.07449	1.5
253.05052	1.7
264.11594	4.2
267.13956	1.5
269.08087	4.6
269.11795	2.0
271.06137	14.4
272.06512	2.0
277.12323	4.0
279.13782	3.8
281.15402	3.3
286.08368	0.8
295.10303	1.3
295.13403	12.5
296.13629	1.1
297.14999	5.0
298.15353	1.1
303.10190	1.2
309.14908	5.9
311.14172	1.0
321.11301	7.6
327.16022	10.4
328.16193	1.6
339.12427	22.2
340.12714	3.0
371.15378	48.9
371.24194	2.4
372.15811	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	371.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14142	2.3
57.03434	10.9
59.01368	11.1
65.00327	4.1
70.92709	6.7
82.00073	2.1
83.01397	3.2
85.99027	2.3
93.03463	11.1
95.01421	2.5
97.14695	2.6
107.05016	5.6
108.02221	13.5
117.03403	3.5
119.01448	3.1
121.02967	6.7
123.00836	4.4
125.06090	6.7
132.02205	5.7
133.02998	2.7
135.00929	5.5
135.04538	69.0
137.02501	13.7
145.02989	19.3
147.04544	100.0
148.01662	7.6
148.04889	8.4
149.06073	5.6
157.02805	3.0
159.04480	5.0
161.02423	5.0
165.01831	3.0
167.07211	2.6
173.06044	8.8
175.03961	3.8
177.01909	3.1
181.64999	2.7
183.08131	3.4
191.03477	10.6
193.04977	3.5
203.07182	4.6
205.08675	6.9
210.06856	6.0
211.07590	5.5
212.08487	21.3
213.08951	2.5
221.09732	16.6
223.07614	5.3
223.09691	8.7
225.09242	67.6
226.09880	23.6
227.10797	47.4
228.11137	6.3
235.06056	19.0
235.07704	16.5
236.08440	15.6
239.10812	20.5
241.12344	40.1
242.12738	5.9
249.05646	2.6
250.06400	16.6
251.07011	8.9
251.10756	33.9
252.11055	2.5
253.08589	4.4
255.10381	16.5
258.08899	3.2
261.28033	2.9
265.08710	91.3
266.09427	19.2
268.07431	3.5
269.11810	48.5
270.12271	5.7
294.12546	8.8
295.09750	7.1
296.03281	7.0
299.09354	4.3
307.13446	6.1
309.15018	23.4
310.15463	2.9
311.05536	9.2
323.12817	3.4
327.16061	11.6
328.16599	3.3
353.13962	12.4
368.20151	3.1
371.11191	14.7
371.14993	54.3
371.24170	7.3
372.15396	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1501
Annotation	Tetrahydrocurcumin
Peak:m/z	Relative Intensity
59.01372	2.0
69.37712	5.0
70.36931	0.5
72.11034	0.6
75.00877	0.6
83.01386	1.3
85.02959	2.4
107.05046	14.3
108.05368	0.8
111.49348	0.6
127.80322	0.5
135.04541	42.7
136.04926	1.8
149.02455	0.8
155.76100	0.6
165.05566	0.6
167.03447	0.8
167.75819	0.7
187.09586	0.7
225.09230	7.8
226.10004	57.4
227.10335	6.0
230.09650	0.8
241.12357	65.3
242.12695	7.0
251.10754	2.8
258.09048	0.6
309.14978	2.3
313.11078	0.7
327.16083	4.5
371.15012	100.0
372.15356	15.9
372.20044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1501
Annotation	fellutanine A
Peak:m/z	Relative Intensity
57.03448	1.0
58.43501	0.5
59.01392	2.6
59.27160	0.5
65.49700	0.5
70.77182	1.1
71.01403	0.5
72.63466	0.5
73.14279	0.5
83.01373	1.7
88.33838	0.5
97.02925	0.8
107.05046	0.7
108.02206	0.6
109.03005	1.3
121.02949	3.0
122.03819	3.0
123.04535	38.8
123.08928	0.6
124.04857	1.9
131.90424	0.5
135.04552	1.9
136.05310	0.8
137.02452	1.4
149.02460	0.9
150.03249	2.6
151.04018	100.0
152.04362	5.3
161.97046	0.5
175.07600	1.3
195.02997	3.9
203.07201	3.7
211.07637	0.6
212.08333	0.6
212.28801	0.6
213.09219	1.6
221.08313	0.8
223.07741	1.3
225.09270	1.4
227.07074	0.9
227.10655	0.8
237.09073	0.6
240.07901	1.6
241.08757	7.3
242.09503	75.8
243.09819	7.5
251.10716	3.5
257.11859	16.9
257.14526	1.0
258.12143	1.5
265.07184	3.8
266.07907	0.9
267.06766	1.1
285.07718	3.3
286.08377	2.7
294.12656	4.4
297.15051	1.0
301.10968	0.6
309.15088	2.2
312.13763	3.9
313.07108	1.4
327.16101	1.9
341.13962	0.9
353.13947	1.2
356.12646	12.1
357.12982	1.1
371.15015	80.9
372.15329	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1138
Annotation	2-hydroxy-1-phenanthryl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01391	1.7
69.20842	0.4
69.21268	1.4
71.01405	1.0
72.99339	0.2
73.02970	0.5
75.80708	0.2
82.73514	0.2
83.01393	0.5
84.69765	0.2
85.02952	0.6
89.02455	0.5
95.01437	0.2
95.18767	0.2
99.00896	0.2
101.02437	0.9
108.45155	0.2
113.02484	0.9
121.03003	0.3
137.02501	0.2
138.03314	0.2
141.07173	0.3
150.05606	0.5
161.04597	0.3
165.07103	16.0
166.07471	1.1
167.05032	6.2
168.03059	1.1
168.05328	0.4
177.04120	0.2
179.10757	0.2
208.05272	0.3
209.06082	100.0
210.06421	10.3
210.08456	0.4
233.06055	1.0
239.12880	0.4
251.07149	0.3
253.14319	0.4
269.04651	0.2
280.84012	0.2
299.05475	0.4
307.66528	0.2
339.09894	0.4
353.06784	0.2
357.09787	0.6
371.11398	1.3
371.20407	0.4
371.24622	0.4
372.11911	0.7
372.21716	0.2
382.09186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01725	1.2
61.09001	0.4
69.56748	1.3
69.57169	1.5
71.01381	1.2
75.00877	0.4
85.33595	0.4
96.32302	0.4
98.19906	0.7
99.21683	0.3
101.02467	0.5
113.02463	0.5
120.79449	0.4
165.09242	0.9
167.03534	1.0
177.04152	0.6
193.05124	0.7
196.03384	0.4
215.51611	0.4
239.09415	0.8
239.12965	0.5
329.11600	0.5
371.17514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03447	7.6
58.59083	0.9
58.67501	0.9
59.01384	12.1
69.03423	1.1
70.18407	3.4
71.01394	13.7
72.39348	0.8
72.99294	1.9
73.02959	0.9
75.00880	34.4
83.01392	1.4
84.02178	1.5
85.02959	16.1
87.00891	13.5
89.02451	5.6
97.02972	1.4
98.19915	1.2
99.00884	7.5
101.02459	2.4
117.03465	3.4
129.01953	25.5
134.03758	59.9
135.04099	3.4
135.30049	1.1
141.01923	1.0
149.06091	6.0
159.02982	7.4
160.01613	2.0
175.03996	5.8
176.04774	2.1
177.04059	100.0
178.02831	1.5
178.04271	4.6
191.07101	2.8
193.05063	73.4
194.05403	4.8
195.05113	82.5
196.05429	3.5
235.06145	3.5
253.24452	0.9
287.93558	1.2
292.45093	1.1
293.34537	1.0
295.08173	3.7
333.85406	1.2
353.08704	4.9
371.09827	68.3
372.10172	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	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
56.18100	0.6
57.03448	4.6
59.01390	5.7
64.28729	0.7
64.85182	0.7
69.86644	1.5
69.87038	1.8
71.01392	6.4
72.99303	0.9
73.02971	0.9
75.00883	6.8
83.01398	1.6
84.02168	1.3
85.02957	20.1
87.00858	1.4
89.02472	2.3
89.03963	1.7
97.02974	1.1
99.00898	6.2
100.17023	0.6
117.03484	10.0
125.38274	0.7
129.01958	17.8
134.03754	91.1
135.04066	4.3
136.04163	0.6
137.02444	1.1
141.01985	1.1
149.06075	7.6
156.63683	0.7
159.02979	3.6
166.08977	0.7
177.04047	11.4
178.02715	6.2
193.05070	100.0
194.05402	6.5
194.10429	0.8
195.05128	19.0
209.06613	1.4
238.50592	0.8
254.42668	0.7
281.06839	1.0
305.68518	0.7
371.09766	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58076	0.8
53.18859	0.7
55.01844	0.9
57.03445	4.9
59.01389	7.0
62.24810	0.8
69.03492	1.1
69.67950	3.8
69.68365	1.1
71.01384	10.8
72.99309	6.4
73.02921	1.1
75.00880	19.7
84.02209	1.3
85.02958	13.6
87.00890	2.2
89.02457	3.4
89.03974	3.2
99.00879	10.3
101.02457	2.0
111.00887	3.4
115.04028	0.9
117.03492	8.2
129.01949	23.5
130.02173	1.0
134.03757	84.5
135.04065	4.8
137.02434	1.4
141.01976	1.4
149.06090	7.9
153.97371	0.9
159.03032	7.3
162.71542	0.8
175.04120	1.5
177.04057	23.3
178.02798	5.7
193.05066	100.0
194.05373	9.5
195.05113	58.5
196.05461	2.6
207.18184	0.9
356.07263	1.0
371.09799	16.5
372.09985	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	369.2438
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
55.18942	0.4
59.01390	1.2
70.04585	0.7
71.01411	0.5
98.20572	0.6
104.02661	0.7
117.07176	0.6
133.10248	2.8
147.08223	1.0
149.09700	0.5
161.09764	0.9
163.11304	100.0
164.11639	8.0
179.10788	23.2
180.11165	1.5
187.11226	1.2
193.12343	22.3
194.12651	1.5
205.08690	0.7
257.45813	0.5
279.14023	1.0
309.22061	0.6
318.00681	0.4
337.21759	11.7
338.22040	1.6
369.24350	80.3
370.24689	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	369.3011
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
54.79370	0.7
55.76906	0.7
57.03436	1.2
71.54919	0.9
87.65000	0.7
106.14076	0.8
111.57964	0.8
134.31160	0.7
149.15433	0.7
151.02448	0.8
161.47905	0.7
165.72672	0.7
188.71271	0.7
307.30072	59.3
308.30435	10.5
319.40503	0.8
325.31241	1.9
351.29105	18.8
352.29361	2.1
369.30106	100.0
370.30453	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	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.5
59.01384	18.3
68.99841	2.5
69.20014	9.8
69.20430	3.1
71.01392	14.7
72.99313	4.0
75.00884	28.6
81.03462	5.3
83.01394	5.0
85.02967	15.7
87.00888	8.1
89.02439	4.0
93.03428	2.3
95.01394	4.0
95.05022	1.9
98.20769	2.2
99.00906	9.6
101.02386	1.5
103.36176	1.3
111.00929	2.1
113.02453	13.0
115.00418	1.6
117.01957	1.9
121.02965	56.7
122.03312	1.8
123.04541	33.1
124.04870	1.4
125.02426	6.5
129.01979	7.3
134.03752	24.4
138.30064	1.3
149.06056	2.7
159.03014	3.5
167.03511	100.0
168.03824	4.5
175.03960	1.6
177.04062	28.8
189.04120	1.6
191.07213	1.2
193.05043	19.9
195.05118	28.2
209.04483	2.5
231.05066	3.9
235.06262	1.7
239.09248	1.5
249.06163	40.5
250.06471	2.2
371.09851	38.8
372.09933	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	369.2285
Annotation	thromboxane B2
Peak:m/z	Relative Intensity
56.50461	0.3
59.01388	2.1
70.02375	1.0
71.01389	0.5
79.95724	0.3
83.05010	0.5
85.02921	0.3
89.02443	0.7
91.04037	0.9
96.95956	0.4
97.65439	0.3
108.05727	0.3
109.06592	0.5
115.64826	0.3
135.04506	0.3
137.02515	0.4
137.06137	0.5
138.06874	0.6
139.07652	0.4
151.07646	1.1
154.06885	0.3
164.08360	0.3
170.05881	3.8
173.06059	0.5
193.12285	0.3
221.15509	0.4
233.19101	1.4
237.09737	0.3
249.18550	0.6
251.20146	2.3
259.17035	0.6
277.18100	100.0
278.18445	11.7
295.19168	53.8
296.19495	6.3
296.22876	0.5
321.36560	0.3
361.10071	0.3
369.22836	71.5
370.23178	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	369.1709
Annotation	Macquarimicin C
Peak:m/z	Relative Intensity
51.99870	0.7
57.47162	0.8
59.01386	3.4
71.01407	1.7
73.02958	0.7
74.74053	0.7
75.19901	0.7
79.95746	0.7
85.02944	1.2
85.91513	0.9
101.02466	1.0
108.02172	0.8
116.57537	0.8
121.02976	0.9
123.00860	1.5
133.06604	0.9
134.03790	1.0
140.77577	0.7
147.04509	0.7
149.06087	2.4
161.02538	1.0
161.06085	9.0
183.61559	0.7
183.94397	0.8
193.08710	1.0
201.09323	0.7
219.46478	0.8
225.09221	33.6
226.09557	3.2
233.04594	1.6
237.09219	33.8
238.09605	3.8
239.07281	1.0
239.10799	0.9
248.06920	2.7
249.09200	13.9
250.09494	2.0
267.06677	2.1
272.10696	1.0
291.14001	1.3
292.14728	1.7
293.15598	1.0
293.61304	0.9
295.17035	34.1
296.17325	3.8
297.11316	2.7
307.17072	26.3
308.17462	3.7
325.14456	1.5
325.18042	8.8
326.18359	1.0
351.12363	1.4
369.17108	100.0
370.17465	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	369.1709
Annotation	Macquarimicin C
Peak:m/z	Relative Intensity
59.01373	2.1
63.53859	0.7
69.81688	3.7
93.03477	1.0
97.06622	1.2
106.04278	0.9
107.05041	8.0
119.05020	1.4
121.02952	1.6
121.06590	0.9
122.03798	0.6
123.08201	1.2
134.03745	1.1
135.04536	28.6
147.04510	0.8
149.02408	1.2
149.06110	1.2
153.09160	1.0
157.06630	2.1
171.08170	1.8
173.02487	1.2
173.09749	2.1
175.07581	0.9
183.08093	1.0
192.53287	0.6
195.08084	0.6
197.09734	1.1
199.00787	0.6
211.11253	1.6
212.08417	1.9
213.09232	7.1
225.09244	12.7
226.09941	9.1
227.10570	0.8
234.12598	1.2
237.09427	2.1
238.09628	0.7
251.14561	1.5
261.12845	0.7
263.14426	1.7
265.08740	1.1
266.11533	0.8
277.15948	3.9
278.16260	0.7
281.15463	5.5
287.14462	1.7
295.17108	4.1
305.15381	0.7
307.17065	3.2
321.14990	0.8
325.14340	1.3
325.18134	18.9
326.18384	3.0
351.16034	65.4
352.16354	11.0
369.17099	100.0
370.17413	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79694	0.5
57.03448	1.1
59.01392	5.5
60.68512	0.6
61.98816	0.5
69.03481	1.4
70.83868	1.4
71.01393	4.7
73.02944	0.9
80.73888	0.5
85.02959	1.4
87.00869	1.1
89.02466	1.0
93.03467	0.9
95.01423	0.5
95.05037	1.3
99.00880	0.6
101.02449	1.1
106.04272	9.3
108.02199	1.2
113.02468	2.1
121.02956	1.0
121.06580	3.3
123.04552	1.1
133.02968	4.0
134.03612	0.5
163.00395	0.8
163.04086	0.9
163.07547	0.6
164.04800	0.7
165.09233	100.0
166.09570	7.1
175.07613	0.8
189.09235	0.8
191.03532	0.8
211.04227	0.6
215.03473	0.7
219.10229	2.7
253.05215	0.8
255.03175	0.9
265.11197	0.7
269.04706	0.8
277.42960	0.7
279.12381	1.5
284.03314	2.6
285.04019	2.3
285.63983	0.6
297.04071	7.0
298.04840	3.5
299.05466	0.7
300.79306	0.5
325.03595	1.9
327.05148	0.9
341.06711	4.3
351.10980	2.2
369.06210	14.7
369.11572	3.9
369.19321	0.7
370.06516	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	369.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10011	1.2
59.01388	100.0
59.38035	1.3
61.98826	1.6
64.99528	1.4
69.65871	3.3
69.66271	5.8
71.01391	41.5
73.02956	3.3
83.01391	1.9
85.02956	5.7
87.00870	4.5
89.02450	4.4
101.02444	8.0
113.02457	3.8
124.02331	1.6
130.82234	1.4
133.05080	53.9
134.05396	1.6
149.02452	1.6
150.03230	2.8
159.06599	2.2
161.04622	6.4
165.05513	1.7
180.58878	1.4
187.06136	10.5
249.09767	11.1
277.09344	16.5
278.09442	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79905	0.9
55.01881	5.3
57.03442	3.6
58.00593	1.6
59.01384	39.8
66.67351	0.9
69.03458	1.9
70.03062	3.7
71.01388	67.8
72.01698	1.3
72.99304	2.2
73.02557	1.9
73.02953	30.0
75.00884	4.5
81.03460	1.2
83.01391	15.8
85.02958	30.6
87.00886	4.8
89.02452	25.3
91.03289	0.9
95.01411	3.7
97.02960	4.0
98.20715	1.2
99.00891	16.8
99.04559	1.5
101.02451	74.0
102.02774	2.7
109.90607	0.9
111.00871	1.5
113.01731	1.5
113.02464	23.7
115.04005	4.0
119.03477	1.2
125.02490	8.2
129.01930	1.9
130.08763	5.4
131.03491	4.0
131.09109	3.9
143.03522	4.3
145.96733	0.9
149.04576	6.2
159.03017	6.9
161.04562	40.8
162.04913	1.6
191.05632	3.4
201.21190	0.8
231.78017	0.9
233.06659	8.3
237.09811	100.0
238.10197	5.7
278.28506	1.3
293.08783	3.0
349.92041	1.2
369.14038	97.0
370.14426	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	369.1344
Annotation	beta-Methylcubebin
Peak:m/z	Relative Intensity
50.86783	1.6
59.01389	8.3
65.25220	1.4
69.03449	9.1
69.93974	4.1
69.94380	4.1
71.01392	3.6
79.05544	4.1
83.01402	1.4
85.02956	1.6
87.04793	1.5
88.32714	1.7
94.60661	1.9
101.02488	1.9
101.06083	18.6
107.05024	13.0
109.02985	1.7
114.92490	1.7
121.02962	4.5
122.03777	2.0
123.00784	1.8
123.04519	1.9
135.04547	8.7
136.32867	1.6
137.02487	2.5
149.02498	7.4
157.06606	2.9
161.02423	2.3
165.05482	1.7
173.06143	2.6
175.07620	22.8
179.03395	2.7
183.08138	1.7
187.07790	1.6
195.08159	8.5
197.06058	5.8
197.09666	2.9
199.04004	1.6
199.07651	2.9
201.05614	3.3
209.06085	5.2
210.06885	10.3
211.07600	15.8
212.08183	1.7
213.09219	3.6
215.03368	2.4
217.08731	2.4
219.06554	2.1
221.05986	2.6
222.06798	11.1
223.07658	49.2
224.08292	12.3
225.05681	12.2
225.09216	21.6
227.07121	5.4
237.05449	1.7
237.09358	4.4
238.06255	4.8
239.07121	25.8
239.10751	3.2
240.07921	100.0
241.08485	18.6
249.05577	1.7
249.09258	3.0
251.07133	2.4
253.08955	1.8
255.10274	32.6
256.10760	2.3
263.10825	3.0
265.08728	4.2
265.12421	2.8
267.06552	5.7
267.10257	4.5
277.08643	2.3
281.11652	2.0
283.09805	3.1
284.10336	1.9
291.10223	2.7
292.11032	4.5
293.08456	3.1
293.11905	5.4
294.09003	1.8
295.09644	2.6
299.09348	2.8
307.09766	29.4
308.10101	3.8
309.11371	14.1
310.11893	5.6
319.09845	2.7
324.13705	5.3
325.14474	6.8
337.10809	12.8
338.11145	1.6
341.14014	11.7
351.12357	4.0
354.11368	2.4
369.13458	92.2
369.17441	5.7
369.22882	3.9
370.13861	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	369.1346
Annotation	11-Deacetoxywortmannin
Peak:m/z	Relative Intensity
50.03569	0.6
51.47461	0.6
59.01375	1.1
69.76945	4.0
71.01393	0.7
83.01546	0.7
93.03441	0.7
98.20674	0.8
109.02967	7.1
121.02953	0.8
149.02443	1.1
151.52086	0.7
159.04477	1.8
172.05347	1.9
193.06544	0.9
196.05354	2.1
197.06064	1.7
199.04001	2.1
199.07654	1.0
209.06090	2.7
211.07649	4.6
212.04697	1.5
213.05656	1.1
221.06172	1.1
223.07683	1.0
224.04791	1.2
225.05609	3.1
226.06329	2.1
227.07137	4.8
237.05640	3.6
238.06291	1.6
239.07179	4.0
240.04262	4.3
241.05112	1.9
241.08768	1.1
247.09798	1.1
249.05479	4.2
253.05077	6.9
254.05841	11.8
255.06635	41.6
256.07104	5.0
264.04150	1.4
265.05087	12.4
266.05603	3.8
267.06628	30.9
267.09537	1.5
267.33463	0.9
268.06992	3.2
269.08228	25.9
270.08755	5.1
277.18057	4.7
281.04663	7.1
281.07623	1.5
281.11786	0.8
293.04599	26.0
293.07962	1.4
293.11743	1.6
293.21387	1.6
294.04886	3.1
295.19162	2.7
300.06470	1.3
307.06143	1.6
307.09787	1.7
307.13409	1.6
308.10471	2.9
309.11267	12.4
310.11829	2.1
317.08142	0.9
319.09763	1.4
321.07654	1.6
323.12881	4.4
325.14484	66.7
326.14835	9.3
332.05350	1.4
335.09225	2.4
336.09976	6.1
337.10547	1.0
351.12399	32.0
352.12650	4.6
369.13437	100.0
369.23019	3.4
370.13788	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	369.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01385	19.4
69.03453	1.5
71.01389	10.4
72.99309	1.0
73.02953	17.8
75.00870	0.5
79.93988	0.5
81.03487	0.5
83.01404	4.7
85.02966	1.9
87.00873	0.8
89.02454	2.3
89.75463	0.4
91.84769	0.4
93.03473	1.0
97.02969	1.2
98.20737	0.8
99.00928	0.8
101.02459	11.2
113.02444	2.1
117.04701	0.4
119.05038	1.1
125.02454	1.6
129.01930	0.6
130.05048	0.4
131.03520	1.0
133.02963	0.8
137.02441	0.4
141.01973	0.9
143.03514	0.8
145.04114	0.5
147.04538	100.0
148.04881	6.0
149.02466	0.4
161.04573	1.7
165.01866	0.6
165.05585	2.5
189.06731	1.3
190.99872	0.6
192.00697	1.3
205.03551	0.5
207.03113	1.7
223.04573	2.0
351.11887	1.1
369.12170	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	369.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.8
57.03454	14.3
59.01382	27.7
67.51933	2.2
69.03461	5.7
69.96447	8.7
71.01385	33.8
72.99319	36.3
73.02953	12.0
75.00887	13.6
79.95148	2.6
80.93185	2.2
81.03457	35.6
83.01389	6.9
85.02960	84.0
87.00878	7.8
89.02453	9.3
92.05048	3.7
95.01373	2.7
97.02936	3.7
98.02496	2.6
99.00890	30.9
101.02441	22.1
101.04312	2.5
109.02969	2.7
110.47117	2.2
111.00888	15.1
113.02464	19.0
117.01940	5.1
119.03473	2.5
119.05040	10.9
123.01500	3.2
123.04535	3.1
124.02264	8.8
125.02466	100.0
126.02789	3.2
129.01953	32.0
130.08766	2.4
131.03506	5.7
133.02995	6.2
133.05017	3.2
143.03516	16.7
147.02995	8.7
150.03282	2.7
161.04565	19.4
163.03954	7.5
165.05554	4.4
187.02461	2.7
191.01967	5.8
191.05510	3.6
205.03561	79.4
206.03859	4.1
223.04616	83.2
224.05020	4.2
237.09822	18.4
244.43556	2.3
284.18945	2.2
325.12061	3.2
369.10104	3.9
369.14523	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	369.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90199	0.9
55.01882	5.9
57.03449	2.2
59.01389	5.5
59.11723	1.0
60.86910	1.0
69.03464	100.0
69.69538	4.5
69.69945	1.6
70.03802	2.8
71.01379	8.2
72.99298	3.0
73.02953	2.2
79.01907	6.0
83.01392	1.6
83.05057	1.0
85.02947	5.9
87.00870	1.3
89.02446	2.3
95.01398	3.3
97.02955	18.8
97.06531	0.9
98.19915	1.8
99.00892	24.6
101.02442	2.3
113.02460	7.9
121.02968	4.8
123.00917	1.2
123.08186	1.1
125.65646	0.9
131.07080	1.1
137.09708	1.5
138.06848	2.9
141.01944	12.0
147.04529	0.9
153.09224	4.8
160.01640	3.5
161.13524	0.8
163.03967	1.2
164.04817	1.1
165.05760	1.0
165.09196	2.0
179.07147	2.1
185.00935	51.4
186.01309	1.9
194.00298	0.9
219.10292	1.1
222.06714	1.1
225.14995	8.4
240.07829	4.2
240.11412	2.5
241.12679	1.8
244.07166	1.8
251.07146	1.4
255.10382	1.2
262.06396	0.9
268.07397	4.9
279.06665	1.3
280.07346	6.9
281.07962	1.2
283.09656	5.1
293.08133	1.5
295.06113	1.4
296.06906	2.9
307.06168	1.6
308.06900	7.3
309.07629	4.1
311.09262	1.4
321.07751	1.2
322.08490	2.9
323.09229	10.4
324.06351	4.9
324.09961	5.5
325.06436	1.2
337.10837	3.3
338.11749	5.4
339.08713	26.2
339.12201	2.2
340.09012	3.8
353.10397	2.1
354.11139	20.9
355.11465	3.5
369.12598	23.3
369.19638	2.0
370.12970	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	368.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09201	0.7
55.01876	3.9
57.03444	2.8
58.00611	1.5
59.01386	30.7
69.03463	1.0
69.69949	2.6
71.01387	44.7
72.99318	1.7
73.02952	19.3
73.03365	1.1
75.00884	2.2
81.03458	0.8
83.01393	7.9
85.02958	19.4
85.69978	0.8
87.00884	3.0
89.02448	17.3
95.01401	3.1
97.02935	3.1
98.19905	1.1
99.00901	9.9
101.02451	45.1
113.02460	15.5
115.04048	2.1
119.03491	1.4
125.02440	4.2
129.01936	1.1
130.08751	100.0
131.03487	3.1
131.09084	4.2
143.03503	2.4
149.04552	3.9
150.05594	1.2
159.03035	4.2
161.04568	28.0
174.11304	0.8
179.05609	0.7
190.06662	0.6
191.05682	2.3
233.06642	3.6
237.09804	58.0
244.83478	0.6
293.08923	1.9
309.12149	0.9
309.15634	0.7
369.14026	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03206	0.7
57.03450	17.5
59.01387	4.9
69.03431	1.1
69.59050	5.2
71.01393	2.0
73.02960	1.2
74.99104	27.9
85.02982	1.1
87.00887	3.4
89.02486	0.9
90.18240	0.8
93.03441	0.9
96.96014	1.7
97.06606	3.6
99.02753	100.0
99.04523	20.3
100.03110	3.1
100.04821	0.9
101.02452	1.2
107.05046	1.7
112.05294	1.6
113.02463	1.3
113.04340	5.7
113.04996	0.9
114.49283	0.8
119.05112	1.0
121.02956	11.1
122.03798	2.2
123.04559	1.5
128.19594	0.9
137.09686	1.2
139.05922	1.8
139.07675	2.7
141.03737	1.7
147.04518	4.2
148.05376	1.1
149.02516	0.9
149.06029	1.2
151.11359	1.0
155.05380	57.2
156.05684	3.5
163.04012	3.4
164.04790	1.2
165.05481	0.9
191.03427	2.3
192.04314	2.0
193.04932	1.3
205.12387	6.6
207.13898	1.1
237.07541	0.9
238.53622	0.9
239.11127	88.4
240.11493	6.7
309.09784	2.1
351.10968	1.6
368.10910	1.8
368.15445	2.6
369.06845	1.4
369.11862	17.7
369.16187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10729	0.3
53.97906	0.3
56.98038	0.3
57.03452	14.9
59.01382	3.3
70.23066	0.3
71.01392	1.0
72.99328	0.4
74.99110	10.4
76.96583	0.4
80.37167	0.3
85.02943	0.6
87.00889	1.0
89.02466	0.6
89.43861	0.3
90.40922	0.3
97.06634	2.0
97.78559	0.3
99.02757	65.6
99.04521	20.1
100.03117	2.6
100.04890	0.4
101.02441	0.7
103.00317	0.4
107.05035	0.5
113.02444	0.5
113.04333	1.8
121.02977	4.6
122.03751	0.7
132.49077	0.3
137.09715	0.5
139.05869	0.7
139.07664	1.8
141.03796	1.9
146.99344	0.4
147.04520	1.3
149.06111	0.4
151.11250	0.5
155.05386	10.9
156.05675	0.4
158.49330	0.3
163.03996	0.8
163.11331	0.6
164.04810	0.5
175.07703	0.4
181.06958	1.1
187.42386	0.3
205.12392	2.3
207.10315	0.9
207.13832	0.5
225.11346	0.4
237.07941	0.3
239.11139	100.0
240.11458	8.7
309.09845	1.0
368.10687	0.8
368.15414	2.9
369.11850	5.7
369.15576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76995	0.4
59.01389	2.6
69.66760	2.6
98.19975	0.6
104.63718	0.4
133.06606	8.8
149.09732	86.6
150.10100	5.8
163.55789	0.4
183.01270	0.7
197.02809	1.4
205.15987	50.3
206.16324	4.0
295.17139	4.3
296.17502	0.5
328.16763	2.3
348.66962	0.4
367.26486	100.0
368.26797	18.7
368.31580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2646
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01394	2.5
59.01640	0.5
60.56451	0.4
71.41188	0.5
78.09424	0.4
133.06612	2.2
149.09735	73.1
150.10080	5.1
175.41911	0.4
179.82471	0.5
189.12904	0.8
205.15988	75.2
206.16344	7.3
241.92348	0.5
270.12091	0.5
311.11197	0.5
367.26462	100.0
368.26804	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43541	0.5
55.38018	0.6
59.01384	100.0
60.01719	1.2
63.92425	0.5
69.35356	2.6
69.35783	2.1
71.01392	4.1
72.99316	4.2
73.02953	1.4
83.01398	1.2
85.02964	2.4
87.00912	1.5
89.02474	0.9
93.03483	1.8
96.96073	0.6
99.00878	1.2
101.02458	4.3
103.00368	0.9
103.13705	0.5
111.88243	0.6
113.02458	1.4
118.16183	0.6
118.92751	0.6
119.05035	9.9
121.03027	0.5
134.03761	2.2
145.03116	0.9
159.03030	0.6
161.04575	3.0
163.04031	6.3
163.07727	0.8
173.04588	4.1
175.07695	1.1
187.03992	0.6
191.05486	0.6
193.05132	1.5
200.04738	0.7
203.07158	0.8
205.08694	1.4
213.55502	0.6
217.08752	0.8
219.10217	0.8
229.08777	1.7
233.08307	0.9
268.56827	0.6
273.07761	1.6
277.10983	2.1
307.17630	9.3
307.20923	0.7
367.10315	5.8
367.19135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04440	0.7
55.01877	2.5
57.03451	1.0
59.01386	100.0
60.01721	2.3
69.58662	2.9
69.59064	2.2
71.01389	17.3
72.01710	0.8
72.99297	1.5
73.02957	7.0
81.03487	1.5
83.01390	3.7
85.02962	10.5
87.00922	2.0
89.02460	3.9
93.03481	1.7
95.01389	1.0
99.00894	3.1
101.02450	17.9
107.26555	1.0
110.91725	0.8
111.04495	1.2
113.02460	6.1
117.03423	3.0
119.04997	1.4
123.04505	4.2
125.02474	1.7
134.03755	26.2
135.04120	1.6
145.02989	1.9
149.06036	2.2
155.03539	1.7
158.06084	0.9
159.02985	1.6
161.04596	8.0
163.04004	1.1
167.03511	18.9
167.04910	1.0
168.03841	1.7
173.04646	4.8
191.05617	4.0
193.05066	27.1
193.06808	1.4
194.05408	2.1
206.92450	0.9
210.41516	1.0
235.11877	32.0
236.12251	2.4
265.12979	10.0
307.13776	2.4
329.08719	0.9
367.10489	2.5
367.16064	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71639	1.1
55.01876	5.4
55.61620	1.2
57.03451	2.9
57.06499	1.1
58.00591	1.3
59.01384	85.2
60.01702	1.7
61.98814	1.4
69.03443	1.4
71.01390	56.1
71.26888	2.1
71.27222	2.0
72.01727	1.2
72.99306	3.1
73.02953	30.7
75.00859	2.0
78.07081	1.1
81.03485	1.8
82.01836	1.0
83.01397	11.6
83.05027	1.4
85.02962	31.1
87.00881	9.9
88.12064	1.2
89.02451	14.8
93.03457	2.4
95.01390	5.0
97.02933	1.9
99.00883	8.4
101.02454	57.7
102.02727	1.7
109.02945	2.0
111.00838	1.4
111.04523	2.8
113.02472	21.0
115.03938	1.7
117.03460	10.5
119.04997	3.9
121.02926	1.4
125.02451	3.0
130.99893	1.8
131.03468	2.7
134.03754	88.7
134.07266	3.1
135.04102	3.8
137.02409	1.3
143.03516	3.4
149.06085	6.0
152.01123	2.4
155.03537	3.3
158.03694	1.5
159.02991	5.2
161.04561	19.7
162.06694	3.0
163.04019	4.1
165.01993	1.7
173.04538	7.9
173.06065	14.4
173.44807	1.2
176.08238	1.6
186.99306	1.3
191.05629	4.9
193.05070	96.9
194.05392	6.8
205.07251	3.0
217.08678	5.6
219.06778	1.2
219.08928	3.3
230.14732	1.5
233.06607	1.5
235.11884	100.0
236.12262	8.2
243.10187	1.4
247.08395	22.1
248.08572	1.4
261.11307	2.4
265.12863	4.1
270.03763	1.4
285.10007	1.2
318.00195	1.3
367.10541	16.1
367.16068	76.3
368.12772	1.5
368.16574	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	367.1553
Annotation	Louisfieserone A
Peak:m/z	Relative Intensity
53.16710	1.2
59.01385	22.0
61.94316	1.0
61.98830	4.4
63.62480	1.0
69.48169	8.2
74.81895	1.1
76.98792	1.1
79.51385	1.2
85.02946	1.8
96.96024	2.3
97.06586	1.9
101.02451	1.5
108.02120	1.1
109.02929	1.4
120.68349	1.2
121.03005	2.2
137.02461	1.8
139.08476	1.1
140.16870	1.3
153.09253	2.1
169.05223	1.2
169.06583	4.3
179.08664	9.6
180.05904	1.3
193.06569	1.3
196.08849	2.5
208.44080	1.3
209.06242	2.3
210.06885	1.5
211.07690	7.0
222.06981	1.4
223.07654	76.8
224.08217	13.2
234.06813	1.9
235.07684	5.1
236.08244	1.2
237.09111	1.9
245.09766	2.3
246.06755	1.3
246.10254	1.8
251.07118	4.0
256.07480	4.8
261.09088	1.5
262.06537	2.5
262.09805	1.6
263.07068	6.4
264.07932	8.9
265.08194	1.6
283.11255	1.7
289.08731	2.2
290.09366	1.5
293.15723	3.4
303.10315	3.0
303.13943	1.8
304.10788	2.0
305.15479	3.5
319.13281	3.1
321.04788	1.4
321.14890	3.1
323.16534	42.7
324.16934	7.8
331.13519	3.0
337.07281	5.4
349.14465	78.6
350.14914	11.7
352.09500	2.3
367.15546	100.0
368.11804	2.4
368.15894	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1552
Annotation	Kanzonol P
Peak:m/z	Relative Intensity
52.57874	0.7
57.31482	0.8
59.01385	11.3
61.98832	1.1
71.01402	1.2
71.55108	1.6
72.99309	0.9
87.00887	1.1
96.96030	4.0
101.02491	0.9
113.02442	1.3
117.71991	0.9
121.02957	1.8
134.03700	1.1
136.01666	2.5
143.05093	1.3
144.05817	1.8
149.06128	1.5
157.06534	4.5
159.04478	1.5
159.08156	15.8
159.63678	0.8
167.06171	3.8
187.03911	1.3
201.05557	2.0
202.06250	1.1
203.07150	44.0
204.07440	3.6
208.50948	0.8
221.08197	20.6
222.08620	1.4
223.76550	0.8
262.46866	1.1
277.05225	0.9
280.14590	10.5
309.07672	1.2
323.12900	1.5
324.13516	19.0
324.17084	1.5
337.07181	3.5
337.10870	7.3
338.11066	1.3
351.12393	3.0
352.09335	1.3
352.13126	3.6
367.11774	3.5
367.15527	100.0
368.12244	1.4
368.16010	14.3
376.56924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1553
Annotation	Louisfieserone A
Peak:m/z	Relative Intensity
71.00246	1.2
79.05535	1.9
81.03483	0.9
83.05017	3.1
93.03465	1.1
95.05055	6.2
107.05038	5.0
121.02957	3.0
122.03749	5.1
131.05016	1.8
133.06622	1.4
134.03784	2.3
135.04541	6.5
136.05318	1.9
143.05048	1.0
149.02422	2.3
155.63219	0.9
157.06516	1.9
158.07393	1.4
161.06073	1.3
169.06583	2.4
169.10110	1.1
171.08173	3.3
173.06070	1.1
183.08199	2.9
185.09660	1.2
188.08447	1.8
195.08183	1.7
197.09746	2.5
199.07570	0.9
201.09232	1.3
203.07166	1.4
213.09232	22.2
214.09554	2.4
215.07141	1.8
223.11290	2.0
223.76805	0.9
225.09212	12.9
226.09991	2.9
227.10776	3.6
234.10512	1.1
235.11255	2.4
241.08708	2.2
247.11488	0.9
249.12857	3.6
251.07091	1.2
261.12924	9.4
262.13269	1.6
267.13950	11.9
268.14227	1.8
277.15936	1.2
279.13876	8.0
287.14563	2.6
295.17007	1.2
303.13943	2.8
305.11954	2.1
305.15500	8.8
306.15790	1.0
323.16461	1.7
331.13507	2.2
349.14459	100.0
350.14813	14.1
367.15515	96.2
368.15833	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	367.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.7
59.01387	81.8
68.99815	1.5
69.03463	1.8
70.90807	3.0
71.01392	22.7
72.99306	5.4
73.02948	4.0
73.54965	1.1
75.00880	17.5
81.03468	1.8
85.02968	25.4
87.00883	9.0
88.04051	1.4
89.02460	7.9
89.40335	1.3
95.01395	7.6
99.00897	10.8
99.04536	3.0
101.02455	3.5
103.00367	2.3
111.04502	1.7
113.01727	2.4
113.02460	32.3
114.02744	1.4
117.01949	3.6
117.05595	40.2
129.01938	1.7
134.03743	3.8
160.04039	4.8
161.04440	7.0
171.55305	1.2
175.02472	3.4
189.04047	1.6
193.05058	9.0
209.40326	1.2
218.44350	1.3
231.05089	3.6
249.06168	71.5
250.06502	5.6
264.13239	1.2
267.07260	9.1
291.07196	1.9
309.08310	11.0
349.11389	6.3
367.12463	100.0
368.12891	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	367.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
61.42686	0.8
66.21909	0.7
67.49298	0.8
121.02882	1.2
147.04460	1.9
148.05316	100.0
149.05608	6.2
157.95729	0.9
161.12289	0.9
163.07657	66.2
164.07979	5.7
229.49944	1.4
240.80608	1.0
247.80882	0.9
383.80270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	9.1
65.00302	1.3
70.13906	1.2
70.14208	5.2
79.05537	2.6
97.00887	1.0
103.05532	1.5
107.05054	8.1
109.02935	1.9
122.03713	1.8
127.87611	0.9
133.02953	3.3
135.00923	1.4
137.06046	1.0
150.03229	11.3
151.03983	3.3
151.06195	0.9
157.06592	16.7
159.04521	1.5
165.05545	4.0
166.81615	1.1
173.02319	1.2
173.06087	2.9
174.06793	3.5
175.04021	8.8
175.07655	13.3
183.04587	1.5
185.02429	4.9
186.03197	1.6
189.09209	6.0
201.05559	12.5
211.03972	1.5
222.06807	1.2
223.07625	4.3
233.06213	1.4
234.50819	1.1
235.03946	5.2
235.07603	1.5
237.09196	3.7
247.07642	3.0
249.05562	19.1
249.08380	1.4
249.09270	1.8
250.06204	4.8
251.03487	1.4
253.08658	4.7
263.03394	2.4
263.07199	2.3
265.05530	1.7
265.08731	34.1
266.08966	3.9
267.06726	6.1
269.36621	1.2
277.05084	5.6
277.07785	1.2
278.05688	1.8
279.10236	1.1
281.08191	16.9
282.08682	2.1
289.08771	2.5
291.06702	4.8
291.10062	2.3
292.07425	2.4
293.08240	20.3
294.08545	3.2
305.04739	1.4
305.08115	2.5
306.08905	1.9
307.06366	2.0
307.09753	16.0
308.10263	3.9
309.07730	11.6
310.08005	2.9
319.06061	1.5
323.09308	1.6
324.09518	1.5
333.07715	1.3
334.08508	1.3
335.09210	22.6
336.09567	4.0
349.10812	33.8
349.14566	1.1
350.11206	6.9
352.09253	1.3
367.11868	100.0
367.26627	2.6
368.12277	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	367.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17231	0.6
54.37628	0.7
57.03440	0.8
59.01383	4.3
64.98306	0.6
65.03955	1.6
69.88583	3.5
70.16813	0.6
79.05549	3.5
83.01370	1.4
95.96028	0.6
96.96035	0.9
105.07105	4.7
107.05043	10.0
121.02927	2.1
133.02927	2.0
135.04448	0.9
146.03716	1.6
147.04443	1.0
159.04533	1.4
160.98991	0.6
161.06110	3.3
162.28716	0.8
165.05484	0.8
172.05278	0.9
173.06032	1.5
174.03215	2.4
175.07686	3.3
177.23019	0.8
183.04597	0.7
183.29175	0.8
187.03967	1.4
187.07634	1.7
188.04816	4.6
189.05508	2.7
197.06032	2.1
198.06487	1.0
199.03969	1.1
203.07118	3.1
209.06111	0.8
209.09851	0.7
211.03963	1.4
211.07579	1.4
213.05501	1.2
216.04301	4.4
224.04782	1.5
225.05707	3.3
225.09239	1.7
227.03494	1.5
227.10750	1.4
231.06584	3.8
235.11261	0.8
237.09219	4.5
238.06419	1.2
238.09711	0.8
239.03377	0.8
239.07127	1.2
241.05083	4.4
249.09296	0.8
251.10809	5.7
252.11455	2.8
253.05078	4.3
253.08707	2.6
254.09244	1.0
255.06569	1.2
262.06400	0.7
262.09775	0.8
263.07144	5.2
264.07501	0.9
267.10233	2.1
267.14014	2.4
268.10834	0.9
269.11929	0.8
277.08731	1.6
278.09503	8.5
279.10120	4.5
280.11023	4.3
281.08261	7.0
282.08633	1.1
291.06668	1.8
293.11853	6.0
294.09045	3.5
294.11935	1.0
295.09793	17.7
295.13177	0.9
296.10492	15.5
297.11063	2.4
305.08115	1.4
305.11746	1.2
306.09070	3.3
307.09836	1.2
308.17435	0.8
309.07971	1.3
309.11362	3.5
311.12897	100.0
312.13260	11.6
321.11444	2.7
324.10022	2.1
327.68253	0.9
335.09277	2.0
337.07169	2.6
339.12375	94.7
340.12744	14.5
367.11865	90.2
368.12216	13.8
376.22119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.1
63.02412	0.3
64.01251	0.1
65.00340	0.2
79.05547	0.4
95.01419	0.6
97.02956	0.2
98.19942	0.4
105.07180	0.2
107.01435	0.2
107.05044	1.0
108.02180	0.7
109.02972	0.3
119.05090	0.4
121.02998	0.3
123.00907	1.2
125.02448	0.7
133.03009	0.3
135.00891	6.6
136.01602	0.7
137.02472	1.0
138.03229	0.6
147.04536	0.3
148.84470	0.2
149.02499	0.3
151.00380	1.5
151.04028	1.3
157.06599	2.6
158.03802	0.3
159.04527	0.5
161.02524	0.2
161.06088	0.5
163.00388	2.8
164.00923	0.2
172.05324	0.2
173.02420	0.3
173.06067	1.7
174.03261	0.2
174.06842	2.2
174.08195	0.2
175.04012	0.6
175.07678	1.5
176.01184	0.2
177.01903	0.3
178.02744	0.4
183.01263	0.2
183.04507	0.4
188.04761	0.2
194.07381	0.2
195.08206	0.4
197.06200	0.2
197.09761	0.3
199.04025	0.3
199.07767	0.2
200.01205	0.3
201.01959	0.4
201.05576	0.7
203.03516	0.8
205.06657	0.2
207.08240	0.2
209.09819	0.4
209.12173	0.2
211.04053	0.4
211.07657	1.6
213.01891	0.2
213.09241	0.9
214.02733	0.4
214.06317	0.8
219.08078	0.3
221.06110	0.2
221.09653	1.0
222.06894	0.3
223.07669	0.6
224.04808	0.2
225.05617	0.2
225.09264	0.2
226.02773	0.4
227.03465	0.2
229.01411	0.5
235.04031	0.3
235.07645	0.5
236.08527	0.2
237.09209	3.6
238.02753	0.2
238.09512	0.4
239.03510	0.3
239.07155	3.0
240.07538	0.4
241.08823	1.1
242.02139	0.3
247.07729	0.9
248.08081	0.2
249.05583	0.5
249.09204	0.4
250.06381	0.7
250.33255	0.2
251.03516	0.3
251.06969	0.3
252.04141	0.4
253.05138	0.3
253.08647	1.4
254.02145	0.3
254.09288	0.2
263.03464	1.2
263.07178	0.5
264.07813	0.5
265.05704	0.2
265.08691	6.7
266.06323	0.2
266.09012	0.6
267.06583	0.8
268.07108	0.2
275.07083	1.1
276.07501	0.2
277.05133	0.4
278.05878	1.2
278.09067	0.3
279.03000	0.5
279.06348	0.3
281.04996	0.3
281.08194	4.2
282.08615	0.5
291.06604	0.8
292.07309	0.6
293.04849	0.5
293.08209	13.0
294.05292	0.4
294.08618	1.8
295.09793	0.5
295.13391	0.4
296.10446	0.4
307.02353	0.5
307.09778	0.9
308.07159	0.3
308.10489	0.7
309.07709	10.3
309.10907	0.4
310.08029	1.3
311.12903	2.9
312.13171	0.3
319.06128	0.5
321.04169	0.2
321.07477	0.2
322.04739	0.6
322.08234	0.3
323.09216	0.3
324.10065	1.9
325.10562	0.2
335.09302	0.3
337.07193	100.0
338.07523	13.2
339.12372	2.9
340.12735	0.3
351.08734	0.3
352.09525	32.6
353.09866	4.6
367.11865	73.8
368.12210	11.0
368.16864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13441	1.0
57.03411	1.0
59.01387	13.1
67.01902	7.1
69.03459	1.8
69.47200	3.4
69.47620	4.7
71.01394	5.3
72.99314	27.9
73.02972	1.1
83.05018	1.7
85.02959	3.2
87.00868	6.4
93.03469	31.1
97.06593	2.0
98.20584	2.6
99.00889	2.7
103.00389	2.9
109.02991	1.4
111.00858	1.9
111.04507	5.6
117.03494	2.5
121.02992	1.4
123.04539	3.4
134.03760	27.8
135.04489	1.1
137.02452	5.6
146.03732	3.0
148.05341	1.5
149.06062	4.9
155.03488	4.6
159.04494	1.1
161.06126	2.0
162.06847	3.1
163.04074	2.4
163.07666	5.7
172.05286	1.4
173.04564	100.0
174.03413	1.2
174.04929	5.9
175.03987	2.0
175.07635	10.1
176.04706	1.7
177.09166	2.3
187.04099	1.3
187.07648	4.3
188.04787	3.3
189.05475	1.2
189.09079	1.4
190.06383	3.1
191.05568	7.3
191.07137	1.4
191.10796	7.9
193.05054	18.9
201.09250	4.6
203.07118	2.1
204.04222	1.9
204.07904	1.2
205.08734	8.6
215.07159	1.8
217.08694	8.6
219.10307	13.0
220.10632	1.9
229.08717	3.8
233.08133	5.4
243.10277	3.6
245.08340	1.2
247.09825	1.5
259.09735	3.3
261.11319	3.9
271.59351	1.3
273.07700	3.4
277.10855	17.5
278.11182	2.1
287.09091	1.8
291.08768	4.5
293.10397	1.6
305.10364	3.6
349.09332	4.3
367.10342	55.0
368.10666	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	367.1037
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
50.11807	0.4
53.71362	0.5
59.01075	0.6
59.01384	8.7
65.40400	0.4
67.95395	0.3
69.03500	0.4
70.28877	0.9
71.01382	2.3
72.99348	0.4
73.02971	1.2
79.69126	0.4
83.01398	0.7
83.05011	0.9
85.02975	2.1
87.00915	0.5
87.74839	0.4
89.02460	0.5
89.03999	2.3
90.34965	0.3
93.03454	2.3
99.00883	0.5
101.02451	2.6
111.04536	2.6
113.02454	1.2
117.03485	9.1
118.03804	0.5
119.05081	0.6
128.01199	0.4
134.03755	91.1
135.04095	4.4
137.02477	0.5
149.06094	6.3
150.39024	0.4
155.03546	2.9
161.04559	1.2
173.04575	5.2
191.05624	4.0
193.05072	100.0
194.05423	7.3
235.11859	2.8
312.91660	0.4
367.10318	6.3
367.16031	3.4
368.10489	0.4
368.16232	0.5
393.11029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38837	0.5
57.03445	1.2
59.01379	3.1
59.51556	0.4
60.99307	0.8
67.01900	6.2
68.25188	0.4
69.03443	1.2
71.01389	3.6
72.99321	6.8
81.03464	1.0
83.05036	1.1
85.02941	0.8
87.00927	1.1
89.03965	0.9
93.03468	29.6
94.03806	0.9
103.00386	0.9
107.76414	0.5
111.00924	1.1
111.04543	5.3
112.04903	0.5
113.02422	0.5
117.03474	2.0
119.05004	0.8
127.03997	0.5
133.91100	0.5
134.03754	23.0
135.04099	0.9
137.02438	5.1
146.03773	0.9
147.04561	0.6
149.06084	1.9
155.03520	4.9
159.04564	0.8
161.06079	0.6
163.04056	0.6
163.07700	1.5
165.05573	0.7
167.45218	0.5
173.04564	100.0
174.04926	4.9
175.07677	2.2
176.04807	0.8
177.68536	0.5
187.07672	1.0
188.04808	1.0
189.05432	0.6
190.06342	0.8
191.05641	3.8
191.10797	1.1
193.03348	1.0
193.05067	15.9
194.05586	0.9
201.09225	1.0
203.07202	0.6
204.07823	0.7
205.08723	1.8
217.08719	2.1
219.10263	2.1
229.08699	2.3
233.08298	1.0
243.10345	0.6
250.38374	0.6
259.09888	0.8
261.11438	0.9
273.07712	1.1
277.10794	4.1
291.08682	0.9
367.10361	12.2
367.14642	1.0
368.10583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03449	2.2
58.00598	0.4
58.37440	0.3
59.01384	21.8
59.49325	0.3
60.01704	0.7
61.98822	1.2
65.87047	0.5
66.14806	0.3
69.56850	2.3
71.01388	22.7
71.05010	0.5
72.00906	0.4
72.99305	1.1
73.02950	3.7
75.00875	2.9
83.01386	1.2
85.02960	5.5
87.00890	1.9
88.04048	4.9
89.02451	6.9
95.01383	0.9
98.20615	0.7
99.00904	1.8
99.04518	0.8
101.02454	5.6
102.05621	1.3
108.17956	0.4
111.04467	0.4
113.02462	5.5
114.05620	1.8
115.03969	0.4
116.03548	0.4
116.05071	4.0
117.01981	0.4
117.03478	0.5
117.05592	4.0
119.03506	2.4
132.06680	22.7
133.07074	0.6
134.03752	6.0
143.03510	0.5
143.30676	0.3
146.08252	1.3
149.04683	0.4
149.06053	0.4
150.05579	0.5
159.03137	0.8
160.04047	100.0
161.04434	5.8
167.03456	0.6
175.02481	0.6
179.05638	0.6
186.07735	0.4
193.05054	7.3
204.03011	4.4
204.08694	0.5
218.10466	2.0
218.13994	3.9
219.14441	0.5
223.08250	0.4
231.04945	0.4
249.06140	7.1
267.07083	0.8
294.11942	4.4
307.13940	0.4
309.08295	0.9
330.11819	1.0
348.13132	0.6
349.11243	0.8
366.08398	16.8
366.14072	43.5
367.08533	1.0
367.12164	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	366.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45980	1.8
57.03450	2.4
57.16288	1.9
59.01386	73.7
61.98834	5.0
71.01389	36.8
71.53075	1.7
72.99310	4.9
73.01191	2.1
73.02951	5.8
75.00874	7.4
83.01386	4.4
85.02964	13.8
86.00110	4.2
87.00877	19.3
88.04029	2.3
89.02457	19.0
92.10211	1.6
95.01397	3.3
99.00858	5.8
101.02469	20.9
101.66103	1.6
109.97307	1.7
111.00867	2.4
111.04478	1.8
113.02463	15.8
114.05607	7.6
117.05560	6.4
117.55519	1.7
119.03513	4.8
122.06120	30.7
127.52586	1.8
129.01917	2.7
132.06682	11.9
134.03697	4.0
134.06133	3.9
136.07692	15.9
138.05602	2.8
149.04585	6.5
150.05618	84.7
151.05983	4.3
152.07170	8.0
159.03151	3.2
160.04048	24.4
161.04482	8.3
164.07153	2.9
166.05086	3.1
167.03581	1.8
168.06660	4.9
176.07146	5.1
193.05077	4.3
194.08253	4.3
204.06688	2.6
204.08528	2.3
204.12466	2.2
204.97478	1.9
205.07190	1.9
218.13928	5.6
222.07748	2.2
249.06139	10.1
299.64307	1.7
307.03650	1.9
307.10437	3.7
307.13803	2.5
312.10922	38.4
313.11160	4.6
322.09531	2.3
330.11969	100.0
331.12274	11.2
366.08725	6.1
366.13992	29.6
366.18011	4.2
367.12427	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	365.2699
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01383	3.9
61.36530	0.5
69.41368	3.4
78.66092	0.4
80.22098	0.5
85.06611	2.9
94.22867	0.5
128.77255	0.6
138.07002	0.5
155.78059	0.5
199.13466	2.9
201.02484	0.5
261.18500	0.9
279.19662	15.0
280.19962	2.1
300.94089	0.6
341.57257	0.6
347.25974	7.6
348.26355	1.4
363.25696	1.1
365.26974	100.0
366.27359	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	366.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
59.44107	0.2
67.14481	0.2
70.26662	0.3
70.27016	0.5
71.01382	0.3
73.02978	0.4
79.44337	0.2
85.02924	0.3
85.88988	0.2
109.53998	0.2
113.02460	0.3
116.05077	3.5
117.45653	0.2
134.03755	0.3
158.41924	0.2
159.03284	0.5
160.04051	100.0
161.04402	5.8
162.66879	0.3
192.17926	0.2
204.03043	4.2
249.06180	0.3
366.08310	16.1
367.08603	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2122
Annotation	4-Geranyl-3,5,4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
59.01385	33.4
71.54664	2.7
81.03460	4.3
86.52637	1.3
93.03455	5.4
96.96028	2.6
97.06590	1.5
106.04220	1.9
107.05036	4.8
108.02226	1.9
121.02954	2.2
122.03741	8.2
123.04540	3.1
131.89583	1.4
135.04568	14.1
136.05272	6.1
148.05293	2.0
149.02402	2.2
159.04362	1.5
161.02507	2.0
171.08148	2.4
183.45854	1.6
201.02533	3.6
211.07623	4.9
212.08458	14.5
213.09229	26.6
225.09268	7.1
226.09750	2.2
227.10814	17.7
231.17509	15.4
232.17915	1.9
255.10152	10.9
259.17035	42.6
260.17340	4.8
295.16928	1.8
311.09949	1.6
347.20099	12.5
348.20499	2.7
365.17761	3.7
365.21219	100.0
365.26566	4.9
366.21634	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	365.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.8
61.98808	0.5
67.01895	24.3
68.02224	0.8
72.56258	0.4
74.39796	0.4
80.96522	1.1
86.45407	0.4
93.01245	0.4
96.96004	0.6
107.05057	0.6
121.02986	0.5
122.03715	0.7
135.04544	1.2
148.05315	8.6
161.02394	0.5
163.03947	0.9
171.08202	1.0
180.04294	0.9
195.11790	3.6
199.13382	0.5
201.02585	2.3
202.02806	0.5
213.09129	0.4
219.14247	0.4
225.09264	2.6
226.09860	0.6
228.99734	0.4
237.09294	0.8
238.09662	0.4
239.10793	100.0
240.11124	10.3
278.51044	0.4
283.23190	0.5
283.26382	0.7
284.26706	0.5
347.20270	2.6
365.21231	22.3
365.26678	2.4
366.21524	3.1
366.25949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48821	0.9
59.01379	6.7
67.01897	26.1
81.03457	1.2
92.35305	0.9
107.05055	5.3
122.03758	2.0
134.03778	1.6
135.04546	11.7
136.05159	0.8
139.98463	0.9
147.04480	1.0
148.05327	9.1
149.02452	2.1
151.90027	0.8
158.63876	0.8
161.02409	1.3
163.04027	1.6
171.08171	2.2
173.06145	2.8
175.11362	2.6
195.11780	3.5
197.09793	1.7
207.93390	0.9
213.09254	5.8
225.09247	32.7
226.09961	9.4
227.10799	11.0
237.09200	8.9
238.09950	4.8
239.10808	82.3
240.11160	7.8
263.10767	5.0
265.12396	1.3
277.12280	3.1
278.12949	1.4
283.26541	1.0
296.10526	1.5
345.18539	4.1
347.20172	53.9
348.20563	9.3
365.21231	100.0
366.21637	15.9
369.03186	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2125
Annotation	2-Geranyl-3,5,4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
54.82180	0.4
55.01878	1.3
59.01389	7.7
67.01907	0.8
69.67973	0.8
69.68370	2.7
84.61636	0.5
86.75440	0.5
95.05018	1.5
96.96018	0.6
105.07088	0.4
107.05043	1.8
108.02201	0.5
119.05070	0.5
122.03748	1.0
123.04543	0.5
130.13776	0.4
134.03751	0.6
135.04535	8.5
136.05325	23.8
136.53999	0.5
137.02390	0.6
137.05717	0.8
147.04532	1.3
149.02463	0.6
151.03958	1.0
161.02283	0.6
168.04356	1.5
171.08180	2.6
173.06102	1.5
175.11362	1.0
181.10307	0.9
183.11832	1.0
186.06651	0.5
201.02541	0.6
205.08757	0.6
213.09232	2.2
225.09238	10.9
226.09882	4.2
227.10794	100.0
228.11113	11.1
237.09244	4.4
238.09831	2.2
239.10759	3.5
255.10268	0.7
263.10764	1.6
265.12305	0.6
277.12338	1.8
283.26352	0.5
296.23990	0.5
329.18539	0.5
345.18640	1.6
347.20187	41.3
347.25903	6.6
348.20554	6.3
348.26270	0.9
365.21210	39.5
365.26639	1.7
366.21533	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	365.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83678	0.2
59.01387	1.4
63.08781	0.2
67.01903	0.3
72.89143	0.2
81.03484	0.8
83.05037	0.7
85.03020	0.2
91.05585	0.7
93.03471	1.2
95.05038	0.8
97.06609	0.4
107.05042	10.8
108.02192	0.8
108.05374	0.5
109.02981	0.4
109.06609	0.3
121.02956	0.6
121.06590	0.2
122.03725	2.5
123.08184	2.8
127.50200	0.3
134.03772	0.6
135.04536	34.8
136.04807	1.6
137.02444	0.4
147.04482	0.5
147.08197	0.3
148.05261	0.3
149.02501	0.6
149.06102	1.4
161.04529	0.3
163.11325	0.5
171.08173	2.6
175.07654	1.1
180.08910	0.3
181.10220	0.4
189.09259	1.1
189.64323	0.3
193.12331	0.6
198.50305	0.3
204.11580	1.1
211.07707	0.7
212.08463	2.6
213.09230	10.1
214.09566	0.9
225.09224	13.5
226.09985	17.4
227.10628	2.6
236.10561	0.3
237.09207	1.2
238.09801	0.5
239.10762	1.7
239.41614	0.3
267.13861	0.6
274.15854	0.9
281.15460	2.7
282.15695	0.5
295.17053	24.9
296.17422	4.1
345.18332	0.3
347.20190	1.2
362.15472	0.3
365.21207	100.0
366.21539	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52403	0.5
57.03451	0.8
59.01385	100.0
60.01718	1.3
65.41145	0.5
69.33919	3.7
71.01390	8.8
72.50815	0.5
72.99331	0.7
73.02973	2.9
75.00869	0.7
82.55766	0.4
83.01416	1.5
85.02963	3.6
87.00880	1.0
89.02453	4.8
93.12280	0.5
95.01408	0.9
99.00935	0.9
101.02456	6.7
113.02464	5.1
116.92462	0.5
119.03518	1.7
141.09245	3.7
159.10335	0.8
161.04633	2.3
161.11844	1.2
163.07672	0.5
185.08189	3.0
233.13998	0.8
305.16098	5.9
305.18713	0.5
323.17188	7.2
324.17740	0.7
342.17258	0.6
365.14377	1.5
365.18341	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87099	1.0
59.01385	100.0
61.98830	7.8
62.97776	1.2
65.16138	1.6
66.86876	1.3
71.01390	2.5
71.55519	1.6
85.02958	1.6
87.00872	1.2
101.02492	1.4
108.02179	1.8
109.02970	3.5
114.59335	1.2
123.04447	1.4
137.02455	9.3
161.02414	1.6
165.05479	1.8
179.03470	6.0
180.04205	3.8
285.03958	2.1
344.53271	1.2
365.08737	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	365.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14187	0.4
59.01390	6.0
69.97961	2.0
72.92894	0.4
81.03475	1.0
82.69307	0.4
83.05025	0.6
93.03481	0.6
96.96037	0.5
98.93915	0.4
106.04182	0.5
107.05041	10.0
108.02170	0.5
108.05366	0.8
119.05052	0.9
120.52932	0.4
121.02974	1.0
122.03741	1.1
123.00872	0.4
134.03751	2.1
135.04543	28.6
135.08173	2.9
136.04871	1.3
137.02388	1.0
147.04568	0.8
149.01401	0.5
149.02431	2.4
149.06021	0.7
161.02460	1.1
169.10262	0.5
171.08109	1.2
173.06070	3.8
175.07655	3.6
201.09198	0.8
211.07594	0.7
212.08379	1.2
213.09219	7.7
214.09499	0.7
223.11267	0.9
225.09225	41.1
226.09900	16.5
227.10504	0.8
237.09230	8.9
238.09973	3.8
239.10739	2.0
263.10696	1.5
264.11499	0.7
265.12299	1.7
289.16138	0.8
307.17065	40.8
308.17438	5.7
337.14520	0.5
345.18420	0.7
347.20212	6.3
348.20367	0.9
365.13776	3.0
365.21213	100.0
366.14624	0.7
366.21552	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
57.03453	0.9
58.00612	0.5
59.01387	100.0
60.01733	1.2
67.58152	0.4
69.51009	0.8
69.51414	3.0
71.01390	9.1
72.99337	2.0
73.02941	2.1
73.95607	0.5
75.00900	0.7
78.78996	0.4
83.01402	1.1
85.02954	3.8
87.00907	1.4
89.02462	6.0
95.01373	0.9
99.00909	1.2
101.02440	5.1
103.00409	1.1
113.02461	6.6
119.03561	2.3
121.06593	0.5
128.45816	0.5
141.09230	1.2
143.03558	1.0
159.10294	0.6
160.79266	0.5
161.04576	2.6
161.11879	2.0
165.05594	0.6
173.06088	0.5
176.04788	0.6
179.05713	0.9
185.08257	0.9
191.03661	0.5
203.09308	0.5
203.12950	1.2
205.08768	0.6
215.07162	0.6
219.06712	1.0
220.07452	1.4
233.08255	1.1
263.11520	0.6
277.10925	1.3
305.15979	3.7
323.17194	3.9
365.08932	3.4
365.14352	1.1
365.18369	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1396
Annotation	3,4-Dimethoxylonchocarpin
Peak:m/z	Relative Intensity
59.01389	4.1
65.00334	4.1
68.99819	2.8
70.86121	1.0
83.01373	1.4
85.49087	0.4
95.01369	0.5
95.05034	0.5
105.07182	0.5
107.01410	3.1
107.04993	0.5
108.02177	1.3
109.03020	0.4
115.05647	0.4
119.05061	0.6
124.88291	0.4
129.06056	0.5
129.07065	0.5
131.05083	0.6
133.06647	0.7
135.00864	1.7
136.01685	8.3
137.02324	0.4
137.06123	0.7
143.04996	0.6
145.06589	1.8
147.08200	0.6
148.01665	0.9
149.09729	0.5
151.00386	4.7
151.07698	1.2
155.22888	0.4
159.04507	0.7
161.02460	1.0
163.00385	2.8
164.01155	5.8
169.06596	1.3
171.04543	4.6
171.08185	0.8
172.04993	0.7
173.06091	0.9
175.00406	0.5
175.04031	1.3
175.07657	2.7
176.01170	1.1
176.04785	3.0
177.01860	1.3
177.05518	0.5
183.08163	0.5
187.07610	0.8
189.01875	0.7
189.05637	0.7
191.03383	0.5
191.05191	0.4
193.08684	1.0
199.07613	3.7
200.07977	0.7
200.96623	0.4
201.02518	1.5
203.03435	0.7
204.04300	2.2
205.04913	0.5
211.07718	2.2
213.05600	2.1
215.07153	0.7
217.05092	0.8
217.08636	0.9
225.05640	0.8
226.06409	0.8
227.07191	0.9
240.07986	0.7
243.06693	3.7
255.06654	7.3
256.07053	0.9
261.07779	1.6
267.06580	4.4
267.10403	0.5
268.07077	0.9
269.08243	0.7
277.12393	0.7
279.06689	2.4
279.10187	0.4
300.28790	0.4
305.11945	1.0
307.09760	1.4
308.10361	0.6
309.11334	1.9
319.13345	0.5
321.11261	0.9
323.12991	0.7
337.14096	0.4
347.12845	4.4
347.25894	2.0
348.13583	0.5
365.13953	100.0
366.14304	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	365.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70055	0.5
59.01384	7.2
66.87390	0.4
67.01898	8.4
68.99799	0.4
69.37496	0.6
69.37901	3.4
69.83155	0.4
79.05537	0.7
79.95778	0.5
80.85792	0.5
90.28624	0.4
91.01910	1.2
91.05505	0.7
93.03465	1.8
95.05020	0.5
96.96007	0.6
105.03410	0.4
105.87626	0.6
107.05061	2.6
109.03010	1.1
114.84245	0.5
117.03492	0.6
119.05040	100.0
120.05359	4.4
121.02938	1.7
122.03741	1.5
130.04254	2.6
133.06685	0.4
134.03751	1.1
135.00906	2.3
135.04521	5.0
136.01665	1.6
136.05360	0.8
137.02460	1.6
141.70407	0.5
142.39169	0.5
143.05037	1.2
145.02965	2.0
145.06609	3.8
147.04530	0.9
148.05333	2.7
149.02446	1.9
153.01961	1.0
157.06639	2.8
158.03764	1.1
159.08180	2.0
161.02437	1.4
171.04494	0.6
171.08167	1.9
172.05066	0.5
173.06070	1.3
173.09723	1.7
175.07668	0.9
175.11372	0.6
183.08170	2.0
185.06099	1.6
187.04031	1.0
189.05577	1.5
194.02199	0.5
195.11798	1.6
199.07664	0.8
201.05524	2.5
201.09273	2.2
203.07130	5.9
204.07358	0.5
213.09219	5.0
221.08115	2.9
225.09206	10.2
226.09938	3.5
227.07104	1.9
227.10809	3.3
237.05476	0.5
237.09238	2.2
238.09947	1.8
239.10803	31.4
240.11212	2.9
240.13301	0.5
245.08200	27.3
246.08614	1.9
255.06627	2.4
263.09061	9.4
264.09561	0.5
267.06656	1.3
277.08365	0.5
277.12329	2.1
303.14069	0.6
307.10068	0.7
309.18674	1.1
321.15024	1.8
335.09433	3.3
345.18869	1.2
347.13617	2.4
347.20166	19.5
348.13406	0.6
348.20599	2.2
350.11612	0.8
365.10330	4.1
365.14011	69.7
365.21057	35.9
366.09906	0.7
366.14355	10.5
366.21475	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	365.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06092	2.0
51.58335	1.9
52.64501	1.9
59.01384	94.5
60.56533	2.0
64.88422	2.2
69.87045	11.1
71.01390	19.9
71.12474	2.0
72.99323	3.6
73.02964	6.9
83.01372	2.9
85.02954	6.7
87.00901	2.5
88.20549	2.0
89.02449	18.4
92.05073	7.8
92.27654	2.3
95.01376	2.4
97.06601	2.1
98.20016	3.1
101.02443	16.5
104.05077	4.3
112.04048	10.2
113.02480	9.9
118.06644	13.8
119.03500	6.5
121.06628	2.4
122.06097	11.1
122.77901	2.1
123.03299	4.8
124.04054	12.7
124.07706	4.9
130.70737	2.0
134.06126	8.4
136.07658	2.7
138.05608	27.1
140.07213	4.0
144.64392	2.0
146.06154	16.1
148.04062	29.3
148.95262	2.1
149.04582	2.3
150.05630	15.4
152.07155	4.6
160.04062	34.4
161.04675	9.3
161.07214	5.3
162.05621	51.8
164.07201	4.1
166.05135	2.2
167.03487	6.4
168.06757	2.4
178.05106	100.0
179.05513	6.8
180.06679	6.6
184.06175	23.9
188.14561	2.0
190.05119	6.3
191.05904	3.7
200.10817	3.1
212.07230	3.0
212.10854	3.2
224.10812	8.9
225.10345	3.9
228.08972	3.3
230.08327	3.0
230.11871	2.3
241.13470	7.5
242.11874	19.6
243.11368	10.0
251.08226	3.1
252.09024	10.1
255.11449	5.4
260.12881	3.9
261.12378	3.6
267.11346	37.3
268.11707	4.3
270.10144	4.9
275.10431	2.6
285.09207	3.4
285.12457	71.5
286.12744	6.1
303.13553	9.4
305.12393	6.4
311.10428	3.3
321.09811	4.2
329.11441	71.8
330.11755	7.6
347.12619	21.2
365.08893	5.9
365.13821	37.7
366.14197	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	365.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19380	1.3
55.63513	1.2
59.01386	8.7
60.59853	1.4
61.07184	1.3
62.99766	1.3
66.59953	1.8
67.01888	1.6
69.66575	8.6
79.05537	4.1
83.05024	2.8
95.01414	1.4
95.05025	11.7
98.20633	2.5
107.05020	6.7
119.05028	8.4
121.06601	2.7
123.51657	1.3
131.05051	7.0
133.06644	2.0
141.07098	1.7
159.08409	1.7
167.08643	2.9
169.06595	12.4
171.08220	2.3
173.23979	1.5
179.08696	3.2
181.06650	1.3
183.08208	1.4
193.06660	4.1
195.08261	2.6
199.62065	1.6
201.02557	1.7
209.06139	5.0
210.06828	1.8
211.07657	46.7
212.08014	5.6
221.06099	5.4
222.07016	1.5
223.07658	42.1
224.08095	8.5
225.09187	12.8
232.09001	2.3
233.06047	2.7
235.07664	2.7
237.05663	2.7
237.09157	3.0
238.06355	2.6
239.07150	16.1
243.07861	1.4
245.08113	2.5
246.06674	1.9
247.11305	3.2
251.07227	8.7
251.62071	1.5
252.07957	1.4
255.50723	1.5
257.09616	1.7
259.11264	2.4
261.09097	2.1
263.07083	13.0
264.07904	6.9
265.12338	16.7
266.12531	1.6
275.10776	2.2
277.12329	11.6
278.12802	1.8
283.11237	2.0
283.85419	1.5
285.09344	2.3
285.12726	3.5
289.08795	1.8
291.13925	1.9
301.12329	11.3
303.10287	8.9
303.13928	21.8
304.10886	4.1
304.14142	2.3
311.10754	2.2
319.13315	3.2
321.14941	3.5
322.15363	1.6
329.11899	19.3
330.12234	3.1
333.34207	1.8
347.12897	100.0
348.13196	16.9
365.13956	98.9
366.14297	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	365.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01382	14.0
61.01008	2.8
68.99804	2.6
69.03455	2.1
69.58165	4.1
69.58584	2.2
71.01395	12.8
72.99310	4.5
73.02949	4.8
75.00842	4.5
75.02585	2.5
81.75261	0.9
83.01396	1.0
85.01031	3.5
85.02950	3.9
87.00889	2.0
87.04526	2.0
88.04047	1.4
89.02451	7.5
97.01019	1.2
98.20650	1.1
99.00896	3.1
99.02567	1.3
101.00544	1.2
101.02467	8.8
103.00369	2.5
112.98814	2.7
113.02470	3.5
114.98468	1.2
115.00382	4.8
115.02079	6.3
115.04002	1.0
116.05070	1.0
117.01971	1.6
119.03490	0.9
123.04503	0.9
124.98779	4.0
129.01971	4.6
129.03629	2.5
131.03523	3.1
132.06697	1.4
133.05058	2.1
142.99844	3.6
145.01421	1.4
145.03122	2.6
148.04056	1.2
149.04564	12.9
150.05602	1.3
157.01466	7.4
157.03130	16.7
159.01030	1.4
159.04672	9.6
160.04051	44.7
171.01012	1.4
173.02551	1.2
173.04601	2.2
175.02701	1.5
175.04205	6.3
178.05069	2.4
186.07620	1.2
189.05730	5.1
201.02135	3.1
204.03020	2.4
217.05255	3.2
229.05273	1.0
233.04753	20.0
242.11890	1.0
247.02634	2.4
250.45575	0.9
254.53215	1.1
273.04364	1.2
285.12424	1.9
303.05197	1.5
327.12985	3.7
329.11258	1.5
333.06387	8.8
334.06943	1.2
347.20474	1.0
365.08972	100.0
366.08789	14.6
366.14029	5.7
366.17932	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01807	4.3
59.01382	83.5
69.25134	15.4
69.25559	23.8
74.73624	4.0
78.89706	4.5
87.00878	5.9
108.02180	12.6
109.02954	28.1
121.02957	21.5
121.47761	5.3
123.04524	7.4
124.92912	4.2
133.02876	5.2
135.00902	5.1
135.04507	5.2
136.01611	4.6
137.02457	100.0
138.02847	6.7
139.07635	7.8
149.02409	5.0
151.03966	9.9
161.02492	23.8
162.03308	5.4
165.05508	7.0
179.03525	92.6
180.04144	14.2
205.01427	10.0
254.86353	4.9
275.88336	4.7
277.10764	19.7
281.59973	4.4
285.07565	8.4
303.08658	11.7
314.70425	4.8
365.08789	65.3
366.08725	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.2
59.01387	13.1
69.22126	21.4
71.01376	8.7
73.94738	2.2
80.23079	2.2
85.02974	4.9
87.00906	2.9
89.02454	3.1
94.13596	2.3
94.52589	2.5
94.53138	2.4
101.02410	4.1
108.02136	3.3
109.02953	32.9
109.16702	2.0
113.02451	6.5
121.02901	6.1
122.03762	6.9
123.04510	6.3
137.02460	87.2
138.02789	3.7
146.03767	18.8
147.04478	7.2
148.05321	5.5
149.02402	5.2
149.06027	2.6
149.49820	2.4
150.03200	4.9
151.04008	9.7
159.04530	8.6
161.02477	24.9
161.06108	5.3
162.03146	7.3
163.07672	41.8
164.07996	3.1
165.05504	5.5
172.05312	8.6
173.06041	7.7
174.03212	3.3
174.06836	3.1
175.04024	19.5
175.07631	23.4
176.04805	44.9
177.05281	2.9
179.03516	100.0
180.04062	8.9
186.06859	7.2
187.04030	6.1
187.07664	30.0
188.04778	4.0
189.05589	5.0
200.04735	3.3
203.07133	10.6
204.04262	16.0
204.07762	2.6
205.08699	52.2
215.07149	30.7
215.10692	6.5
217.08649	4.3
219.10371	2.7
230.05894	2.8
233.08209	73.0
234.08463	5.3
237.86295	2.5
245.66998	2.4
259.09860	12.0
277.07947	4.7
277.10825	65.3
278.11066	6.7
303.08847	5.2
316.87003	2.4
317.57681	2.3
353.04449	2.6
365.04330	4.3
365.08664	47.2
365.12680	3.7
366.08804	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	363.1968
Annotation	Machaeriol C
Peak:m/z	Relative Intensity
53.53165	0.7
57.12094	0.8
59.01373	3.8
61.38144	0.7
63.53064	0.7
69.36095	4.6
69.36510	1.7
71.01388	1.9
72.06828	0.9
75.54416	0.8
79.95733	0.9
83.05032	1.3
95.05039	1.7
97.02959	2.3
98.19929	1.9
119.05034	2.2
123.08128	1.7
131.66197	0.8
169.06532	1.3
173.34856	0.7
179.08665	6.1
180.09088	1.0
182.07320	1.5
196.08900	2.0
210.06847	2.1
211.07603	6.8
223.07654	57.3
224.08298	12.4
225.09148	5.4
235.07710	2.1
237.09164	1.7
256.07413	3.2
265.12177	1.2
275.10913	1.0
277.12216	0.9
279.13925	11.1
280.14395	1.2
293.15469	11.5
294.15915	1.2
317.35785	0.8
345.18811	2.3
363.12265	2.4
363.19678	100.0
364.20016	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	363.1969
Annotation	9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
56.23257	0.9
59.01376	3.4
67.01897	27.3
68.02229	1.1
70.03453	2.3
70.03851	1.7
76.50002	0.9
84.58765	0.9
140.64441	1.0
161.02435	1.7
167.08659	0.9
169.06590	3.0
173.09755	1.2
175.11310	3.1
179.08693	5.5
180.05672	1.5
191.08759	1.6
193.10208	3.7
211.07719	7.1
223.07649	63.4
224.08101	8.1
225.09242	11.1
226.09518	1.0
235.07640	17.2
237.09221	60.4
238.09460	5.7
243.28374	0.9
261.09177	3.6
262.09726	1.0
263.10788	2.9
275.10837	11.3
276.11115	1.4
304.91931	1.1
343.17062	3.9
345.18604	74.6
346.19003	10.0
363.19662	100.0
364.20013	17.5
378.72192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.088
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01389	9.4
64.92794	0.8
68.07883	1.0
71.01380	2.2
71.54524	0.7
72.99317	2.3
73.02946	0.9
75.00832	0.9
77.91037	0.8
83.01408	0.8
85.02942	2.2
87.00875	3.6
101.06078	3.2
103.00376	7.5
109.02953	6.8
113.02446	1.7
115.07646	3.0
121.02953	1.2
123.04564	1.1
128.42210	0.8
137.02457	16.8
145.03075	0.9
147.03325	0.9
147.04515	1.7
151.03918	1.0
158.03740	15.3
159.04520	8.3
161.02461	5.7
161.06168	0.9
162.03195	1.2
162.05643	3.9
163.04002	1.0
163.07741	1.2
165.05525	1.1
171.04501	2.7
174.03215	1.0
176.04794	0.9
177.09180	1.3
179.03511	20.9
180.04094	2.3
187.04037	0.9
187.07697	1.0
189.09212	1.1
190.02846	0.9
192.07729	0.9
201.02069	0.9
201.05559	3.2
201.09337	0.9
202.02734	100.0
203.03233	9.3
203.07094	2.0
205.08739	2.6
213.05583	2.7
214.09866	0.8
214.82758	0.9
215.06999	1.2
217.08737	1.6
219.06624	2.3
220.07414	2.2
231.06656	1.7
231.10403	1.4
249.11317	1.5
259.09781	2.5
275.05493	2.3
275.09082	1.3
277.10809	6.3
303.08868	2.4
321.09827	1.0
347.07794	1.0
365.08813	51.2
366.08878	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	363.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26906	1.8
59.01379	6.4
71.01388	2.9
71.55260	2.6
73.02953	1.9
79.32615	1.7
79.95749	2.3
80.96512	2.7
85.02960	4.0
94.57062	1.7
97.06586	2.0
99.05562	1.7
108.02120	2.2
109.02974	19.6
111.00916	2.9
119.05020	2.5
152.01132	4.8
153.01962	17.4
163.04021	3.5
166.38879	1.7
171.10237	8.6
183.13876	3.3
211.13353	13.1
229.14413	9.6
253.05173	2.0
254.05858	6.5
255.06595	6.4
283.06116	24.8
284.06644	2.5
301.14404	3.3
319.15561	4.8
327.21771	100.0
328.22086	14.2
351.79550	1.8
363.01807	22.6
363.08661	3.0
363.18079	55.1
363.21851	6.2
364.14465	2.1
364.18372	9.8
364.22348	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	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01716	1.8
69.61714	3.8
71.01387	10.8
72.99342	0.6
73.02952	9.4
80.42867	0.5
83.01408	2.0
85.02541	0.6
85.02953	3.2
89.02451	5.5
95.01420	1.3
99.00923	0.7
101.02456	8.1
111.32075	0.5
113.02468	5.1
119.03542	2.3
123.39783	0.5
125.02382	0.7
131.03561	0.8
131.07170	0.6
141.09264	2.4
142.06688	0.6
149.04506	0.6
160.07722	1.0
161.04614	2.3
169.12331	0.6
179.05713	1.1
183.53151	0.5
185.11841	0.7
187.04176	0.5
193.46996	0.6
199.79771	0.5
201.14998	0.9
231.12474	1.4
240.04338	2.3
268.03796	8.5
269.04218	0.7
283.06140	11.5
284.06555	1.6
304.11920	3.2
322.13074	5.1
363.01849	1.2
363.11627	0.7
363.16263	0.9
363.20248	1.1
363.24249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
63.02584	0.9
68.30597	0.8
69.64175	4.6
71.01373	4.0
73.02943	1.7
75.00872	3.0
75.91225	0.9
85.02938	1.4
85.06597	0.8
87.00866	2.0
89.02425	1.1
99.00864	1.6
101.02429	2.2
105.01929	1.1
113.02462	1.8
113.06080	1.6
135.02985	1.0
141.09235	1.1
142.10388	0.9
147.03035	1.1
165.04063	12.2
171.13947	1.9
219.91158	0.8
249.06371	1.0
267.64291	0.8
303.14615	1.6
321.15494	3.2
363.16876	3.9
363.23849	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
55.71501	0.5
57.03450	4.7
58.00602	0.8
59.01387	100.0
59.46265	0.7
60.01727	1.5
61.98833	1.8
62.31834	0.5
63.40751	0.6
63.77290	0.5
67.23617	0.6
69.38178	1.5
69.38593	3.8
71.01389	19.2
72.99330	1.0
73.02947	4.6
81.04864	0.6
83.01402	2.3
85.02959	7.4
87.00918	1.5
89.02462	11.8
89.03008	0.7
95.01423	1.8
98.19975	1.5
99.00897	1.0
101.02457	13.5
113.02455	7.3
119.03530	4.0
123.08183	1.0
141.92271	0.6
143.03598	1.0
159.10306	1.4
160.04071	2.5
161.04585	3.5
173.84639	0.7
179.05548	0.7
183.10275	6.7
201.11348	0.9
231.12282	1.1
247.07220	0.9
260.31241	0.7
265.06842	0.7
303.14548	4.2
320.59335	0.7
321.15656	3.9
337.63199	0.7
344.36880	0.6
345.15472	0.9
363.16638	52.8
364.16891	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03444	1.1
58.00575	0.7
59.01386	100.0
60.01719	1.3
61.95653	0.5
69.23042	5.2
71.01393	12.0
72.99314	1.5
73.02965	3.5
75.00915	1.2
83.01421	1.2
85.02964	4.5
87.00916	1.2
88.04067	0.8
89.02454	5.5
95.01402	1.3
97.02985	0.6
97.06614	0.7
99.00913	2.2
100.72649	0.5
101.02450	8.1
109.06590	0.8
113.02435	5.3
116.05101	1.3
118.06700	0.6
119.03526	2.0
119.05053	2.6
121.06610	15.4
121.89189	0.7
122.06972	1.0
124.04085	2.1
129.01973	0.8
139.07707	2.6
144.04610	2.3
146.02594	0.6
146.06139	2.2
147.03073	2.6
147.04495	3.3
150.05624	1.2
154.05099	6.0
155.07158	0.6
156.06667	8.4
159.10283	1.6
161.04559	3.5
162.05656	3.0
163.03998	2.6
164.07251	1.5
165.04257	0.8
165.05565	4.4
176.03578	0.9
177.58214	0.6
178.05138	1.9
183.06624	0.9
183.10350	0.7
183.84500	0.5
197.08212	4.2
201.10172	0.7
215.09311	2.3
215.12906	1.8
231.12434	1.0
232.11891	0.7
240.55473	0.6
241.05132	0.9
255.37521	0.6
271.10959	1.0
301.11890	2.8
303.14679	1.5
319.13104	2.4
321.15662	3.0
327.10944	1.2
345.11121	0.8
363.12576	3.3
363.16837	10.5
364.17053	1.5
370.00385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.9
58.00587	3.4
58.73471	1.4
59.01385	100.0
70.66156	3.3
70.66532	2.9
71.01385	44.2
72.99316	3.3
73.02948	11.2
75.00848	2.5
81.03445	1.8
81.33848	1.3
83.01389	3.8
85.02939	14.4
87.00865	5.4
88.35562	1.4
89.02456	38.6
95.01382	2.6
95.47108	1.8
97.06576	2.2
99.00886	3.0
99.04506	2.0
101.02451	24.1
111.08166	1.8
113.02477	15.4
119.03501	13.7
119.05014	2.0
121.06604	12.6
124.04037	2.2
139.07657	64.1
140.08014	3.1
143.03564	1.7
144.04584	3.4
146.06053	2.2
147.02969	2.5
147.04567	2.9
149.04585	1.8
154.05095	5.3
156.06696	7.9
159.06618	1.4
160.04036	2.0
161.04617	7.3
162.05594	4.9
163.04010	4.0
164.07161	2.1
165.05553	1.7
178.05028	3.2
179.05600	3.0
183.06659	34.9
183.10219	2.7
187.09795	1.9
196.07881	1.8
197.08199	3.1
201.07623	1.7
201.11348	4.0
213.05598	1.5
215.09370	8.2
215.12836	3.1
231.08714	3.8
231.12321	4.0
241.05151	4.4
256.07349	3.0
283.10815	2.5
301.11865	3.8
303.14438	2.7
304.14011	1.5
315.08743	3.4
319.13080	3.0
321.15460	3.1
327.10635	2.3
363.12473	8.0
363.16675	42.2
364.16861	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	363.0185
Annotation	(-)-Maackiain 3-sulfate
Peak:m/z	Relative Intensity
50.93890	0.3
57.03458	0.6
57.42933	0.2
58.76297	0.2
59.01380	1.2
69.37875	1.7
69.38283	0.4
75.97061	0.3
89.02479	0.3
89.43807	0.3
91.01902	15.2
92.02247	0.5
93.03474	0.3
96.96055	0.4
103.56979	0.3
108.02177	0.3
109.02992	0.5
121.02974	1.2
130.46317	0.3
133.03040	0.3
134.03758	0.3
135.00899	25.3
136.01259	1.4
147.04643	0.3
149.02457	3.3
150.02844	0.4
153.01944	4.5
161.02461	1.5
162.03177	0.4
198.28000	0.2
240.04213	0.3
254.05969	0.4
255.06703	1.2
268.03403	0.3
283.06134	100.0
284.06488	11.5
284.09698	0.5
362.29822	0.6
363.01791	16.1
363.18051	0.5
364.02106	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	363.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24532	2.1
55.01869	2.6
59.01385	100.0
70.79642	4.6
71.01395	41.2
71.05013	2.4
72.21915	1.8
72.92040	2.1
72.99305	4.8
73.02941	7.4
82.02990	27.4
83.01381	7.5
85.02946	14.7
87.00891	3.6
89.02448	33.6
92.21227	2.0
94.03036	4.1
95.01374	3.2
96.54424	2.1
99.00911	3.6
99.04509	5.2
101.01823	2.5
101.02452	31.6
108.27792	1.9
113.02483	19.8
113.32403	2.0
117.64333	2.0
119.03514	14.8
122.06112	5.8
129.01959	2.4
129.97385	2.3
136.04068	24.3
143.03569	2.0
147.02992	1.9
150.05666	2.2
159.03026	2.3
161.04590	6.6
164.03554	35.7
165.59682	2.2
179.05618	4.5
183.10287	17.6
193.34856	1.9
194.04570	17.7
195.05220	2.6
196.06133	17.0
201.11342	4.2
215.09178	2.4
215.12842	9.9
231.07736	2.5
231.12148	3.4
244.09796	5.0
259.10760	2.5
270.07611	2.8
271.07355	4.2
271.43250	2.1
283.10834	4.3
287.10388	76.7
288.10767	10.4
319.12784	2.9
321.15402	2.2
331.09384	29.1
332.09607	3.4
345.10760	8.1
363.05170	2.1
363.12003	15.6
363.16547	78.8
364.16824	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	363.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
57.03434	3.5
58.00568	2.1
59.01382	100.0
69.38564	13.2
71.01384	45.6
72.01728	2.1
72.99313	4.2
73.02957	9.3
82.02995	18.2
83.01390	7.7
85.02956	13.2
86.42429	1.7
87.00864	3.8
89.01942	2.9
89.02450	36.6
94.03036	2.0
95.01388	3.4
99.00876	3.8
99.04539	3.4
101.02439	24.2
101.06079	2.0
107.06899	1.9
108.04530	2.0
113.02473	16.1
119.03498	14.8
122.02464	1.9
122.06104	6.2
131.03543	2.4
136.04051	16.1
137.11176	1.6
143.03558	2.3
149.04572	3.0
159.02933	2.7
161.04616	8.8
164.03575	25.4
179.05611	5.1
183.10291	18.0
194.04561	18.6
195.05371	4.9
196.06203	13.8
201.11359	6.6
215.09320	3.8
215.12872	7.1
231.12280	3.0
244.09819	4.7
245.09253	2.9
270.07590	2.5
271.07611	2.0
272.07819	1.9
277.32349	1.9
283.10840	5.0
287.10379	61.0
288.10611	6.4
313.08365	2.6
321.15414	2.0
331.09320	24.0
332.09592	2.3
345.10852	5.3
357.63791	2.1
363.12213	9.7
363.16559	76.0
364.16571	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	363.0185
Annotation	(-)-Maackiain 3-sulfate
Peak:m/z	Relative Intensity
59.01356	0.6
70.58781	0.8
79.21369	0.3
89.02425	0.4
96.96006	1.1
98.20583	0.4
119.66929	0.3
121.02913	0.6
132.02148	1.1
135.00858	0.9
161.02478	2.1
162.02779	0.3
196.05310	0.5
211.03990	1.1
223.04057	0.7
224.04762	1.4
226.02696	1.1
234.84911	0.3
239.03548	3.5
240.04283	2.5
267.02975	5.5
268.03781	54.1
269.04117	5.5
283.06143	100.0
284.06473	11.4
284.09604	0.4
363.01862	8.8
363.08896	1.4
363.21823	1.0
364.02115	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	363.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61971	0.4
57.00582	0.3
59.01389	4.3
68.92288	0.4
71.01394	0.9
89.02438	0.7
91.01854	0.4
96.95998	0.5
98.20696	0.8
101.02460	0.7
104.38008	0.4
105.81901	0.4
108.02234	0.7
135.00873	1.9
148.01653	1.9
176.91125	0.4
180.77846	0.4
184.05261	2.5
195.04488	1.3
196.05261	1.0
211.04025	6.3
212.04601	2.0
223.04094	0.8
224.04733	1.5
234.78426	0.4
239.03484	5.0
240.04276	4.1
267.02924	1.7
268.03784	75.9
269.04123	9.3
283.06143	100.0
284.03531	0.7
284.06497	11.5
284.09674	0.6
348.36063	0.4
363.01828	17.0
363.10938	0.6
364.02283	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0184
Annotation	(-)-Maackiain 3-sulfate
Peak:m/z	Relative Intensity
51.58183	0.4
59.01387	3.5
63.22194	0.4
66.91032	0.4
70.72686	0.5
70.72984	0.6
71.01362	1.0
72.63227	0.4
73.02933	0.6
74.99117	0.4
85.02949	0.5
86.57859	0.4
89.36204	0.4
91.01932	0.5
97.08509	0.4
101.02449	1.0
103.00493	0.4
108.02184	0.7
113.02406	0.4
116.92860	0.6
125.51270	0.5
135.00887	1.6
148.01665	1.6
151.40199	0.4
160.01657	0.5
167.22916	0.5
184.05278	2.9
195.04506	1.4
196.05292	1.1
198.03278	0.5
211.03993	7.1
212.04733	1.7
223.03929	0.5
224.04709	2.1
239.01054	0.6
239.03438	5.8
239.05754	0.5
240.04317	5.2
241.04582	0.5
267.03006	2.2
268.03775	97.4
269.04123	8.9
271.61996	0.4
283.06140	100.0
284.06506	9.9
363.01840	19.7
363.06442	1.0
363.20218	1.2
364.02008	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	361.9895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71925	0.3
59.01385	15.7
60.01727	2.2
61.01806	0.7
61.98836	100.0
69.27184	1.0
69.27610	2.0
75.93356	0.3
84.38869	0.3
98.19910	0.5
174.99249	1.8
175.99637	0.8
177.96768	0.5
178.98524	1.8
201.02573	2.2
202.02774	0.5
203.02428	1.0
203.98349	0.6
204.00003	4.0
204.02673	1.7
204.99988	0.8
211.35997	0.3
216.98505	0.5
217.00339	5.1
218.00667	5.5
219.00859	2.0
219.97772	55.7
220.98055	0.9
220.99712	6.3
309.96674	0.3
361.98636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28631	1.0
57.03441	2.7
58.00592	3.7
58.56852	1.2
59.01384	100.0
60.01708	2.1
71.01389	55.4
71.54701	1.4
72.99309	3.3
73.02959	7.3
75.00884	2.3
75.15755	1.2
83.01389	3.7
85.02959	12.7
87.00892	8.3
87.04562	1.8
89.02455	46.6
89.03016	2.6
92.28666	1.2
95.01401	4.4
97.06590	2.7
99.00898	1.3
99.04541	2.4
101.02451	24.8
107.05049	1.8
109.06599	1.3
113.02474	25.5
119.03532	15.6
119.05045	2.1
121.06600	5.4
122.06155	5.8
131.03500	3.6
132.04543	1.3
134.81784	1.1
138.05634	1.3
139.07660	31.2
140.07095	1.3
143.03514	2.0
149.04582	2.2
154.05119	2.0
155.07141	1.2
156.06648	3.7
161.04556	11.2
163.04034	2.4
171.10229	1.7
178.05098	1.8
179.05615	14.4
183.06650	19.9
200.09303	1.3
201.11363	2.0
215.09285	4.3
231.08711	1.7
241.04967	2.7
283.10870	1.8
295.57816	1.3
301.12115	2.4
303.14346	2.2
315.08551	1.2
321.15573	1.8
362.09656	1.7
362.14584	3.8
363.12567	4.8
363.16714	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31543	0.4
59.01384	20.2
69.56380	1.7
69.56793	0.7
72.79932	0.3
75.89165	0.4
98.19871	0.5
120.29926	0.4
169.22273	0.4
197.14877	0.4
203.68956	0.4
279.23303	100.0
280.23648	13.0
361.15103	2.9
361.23593	16.0
362.23929	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	361.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
59.01384	42.4
61.98833	1.9
67.13058	0.8
71.01386	5.5
71.05022	1.6
72.75757	0.7
72.99309	0.9
73.02956	5.0
75.00886	1.0
85.02965	2.4
87.00887	1.3
89.02468	1.2
95.05036	1.7
96.96044	1.4
97.06580	1.2
99.04520	1.2
101.02441	2.8
111.08107	0.9
113.02446	2.0
135.03030	0.9
139.11304	33.6
140.11647	1.9
145.02864	0.8
151.11302	9.7
155.10762	0.9
163.03976	0.9
163.11313	1.7
165.09166	1.3
170.50780	0.7
180.77043	0.8
181.12355	15.4
181.13928	0.8
182.12679	0.8
183.10274	34.7
184.10605	2.7
199.13371	4.9
213.11348	18.4
213.13272	1.5
217.18149	1.0
225.11314	9.1
226.11423	0.8
229.14374	3.0
243.12384	100.0
244.12688	7.9
270.69278	0.8
301.20084	1.0
319.21332	2.6
361.15039	35.9
361.18756	6.4
361.22391	10.3
361.26355	0.9
362.15350	3.4
362.22739	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38078	0.9
55.01881	1.0
58.00587	0.9
59.01385	30.1
61.98832	1.2
62.48602	0.9
66.03503	1.8
67.03807	0.8
71.01390	19.4
71.54827	0.8
72.99298	1.0
73.02952	1.7
75.00881	1.5
83.01396	1.0
85.02959	4.0
87.00881	1.1
89.02455	23.0
90.02824	0.8
95.01434	2.0
99.00879	1.0
101.02460	10.6
103.78339	0.9
110.02478	3.1
111.02862	1.6
111.04474	0.8
111.08163	10.0
113.02456	7.7
115.04461	0.7
119.02650	1.2
119.03517	10.6
119.05027	7.8
122.03074	0.6
122.03746	21.2
137.06097	100.0
138.05582	0.9
138.06458	5.5
143.03473	0.8
155.07188	2.3
161.04590	1.9
163.04019	10.8
170.48586	0.8
179.05579	2.6
181.05089	16.3
193.74010	0.8
199.06183	9.2
200.06564	0.8
221.91656	0.8
249.06065	1.0
250.06480	0.9
361.05951	0.9
361.10095	3.8
361.15222	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	361.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49238	3.8
59.01389	21.4
71.01402	9.5
71.18112	3.3
71.49215	7.4
83.11603	3.4
101.02454	6.8
119.05044	97.1
125.02445	5.1
137.06091	5.5
146.45871	3.8
147.74817	3.8
149.02531	5.8
163.04021	100.0
164.04340	5.2
361.15045	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.8
58.73893	0.8
59.01384	100.0
60.01728	1.1
69.62137	3.8
69.62556	1.9
71.05028	1.1
85.06585	1.1
86.60372	0.9
91.06230	0.9
94.07436	0.8
96.76447	0.9
97.02958	1.2
98.19804	1.0
98.55298	0.8
101.02428	1.6
105.45403	0.9
108.02179	0.9
109.02950	1.3
121.02984	1.2
125.02456	8.3
137.02452	1.8
138.03220	2.1
146.34392	1.0
151.03951	1.1
151.06200	1.1
151.70717	0.9
153.36293	0.8
165.12843	2.6
183.13892	10.8
184.14267	1.6
205.96336	1.0
209.05872	0.9
221.97397	0.9
227.12846	9.0
229.08525	1.1
229.18083	2.6
230.18439	4.1
231.18724	1.5
283.06235	2.2
301.07141	14.1
302.07526	1.9
360.28278	1.7
361.29605	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	361.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.1
59.01384	100.0
60.97527	5.4
61.98806	12.7
70.84631	3.6
71.01388	43.0
71.53345	4.6
71.53711	4.8
72.97544	49.5
73.02970	3.7
83.01315	4.2
85.02950	14.5
87.00873	6.2
89.02459	29.7
89.75243	3.9
95.01362	9.8
99.00891	4.3
101.02464	24.5
113.02456	18.6
119.03467	12.0
119.05070	4.0
121.02969	6.7
122.03716	9.7
123.00900	95.4
123.04510	4.4
124.01648	17.6
125.02477	4.3
133.96834	12.5
134.97585	9.0
135.04494	12.9
136.07640	4.3
137.02467	6.3
137.03560	3.8
137.06107	31.1
138.03238	72.0
138.05630	4.2
139.04066	24.7
151.03992	9.7
161.04604	32.9
163.04008	8.3
163.06006	5.7
164.98279	5.9
166.02748	5.4
179.05669	6.3
181.05023	16.4
182.99306	5.7
184.06253	4.5
190.98912	4.9
195.28389	5.6
204.12439	9.0
277.96014	4.1
301.09387	30.9
361.07193	7.2
362.14548	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	359.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55719	0.7
57.03456	19.2
59.01380	4.4
61.98824	1.2
63.02397	1.3
63.79018	0.7
65.00305	1.0
69.03455	3.5
70.02753	3.6
71.01391	1.4
71.05022	9.3
73.02963	1.1
80.65288	0.7
81.03448	1.0
83.01392	1.5
83.05045	1.8
85.06097	1.4
85.06597	19.4
87.04517	1.7
89.02480	0.9
91.01893	1.0
93.03454	0.9
93.07104	29.6
94.07419	1.0
97.06592	2.2
98.03729	0.9
99.08157	1.6
101.02448	0.8
107.01406	2.7
109.06590	1.8
111.08153	1.6
121.63815	0.8
123.08192	1.0
124.01653	2.4
125.02470	1.4
125.09715	2.3
127.11326	2.1
129.09227	1.8
133.02959	0.8
135.11798	1.2
137.02475	0.7
137.06125	1.0
137.09752	0.9
143.10846	1.2
147.11809	3.9
149.99637	2.0
151.00406	9.8
152.01137	2.5
153.01935	1.7
153.09235	1.0
155.10759	2.1
157.12332	8.3
165.01962	1.1
165.05582	1.3
165.12842	1.2
167.14389	1.5
171.13945	1.8
173.11761	1.1
175.03914	0.9
177.02032	1.9
183.13951	3.3
185.15515	5.1
203.12866	1.5
209.15527	6.9
211.17084	2.5
213.09195	0.9
227.12875	1.3
227.16513	3.0
229.18091	100.0
230.18439	8.8
239.07196	2.0
257.08163	1.4
273.86453	0.9
299.25937	1.6
301.03445	2.1
311.25671	1.2
313.23810	2.9
315.05246	1.5
325.03268	1.0
327.05096	2.0
327.09671	1.4
329.03113	10.9
341.27060	1.7
344.05307	5.7
359.07755	40.2
359.28064	49.8
360.08109	6.3
360.28387	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	361.0027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28678	0.3
57.03457	2.0
59.01383	1.0
69.03448	0.3
71.01400	0.4
71.05038	0.3
71.55275	0.4
74.76249	0.3
78.51550	0.3
80.91919	0.3
85.06607	0.4
87.00907	0.5
87.04521	0.4
91.01918	0.5
91.16810	0.2
93.03460	1.6
117.03499	0.4
123.06829	0.3
125.09741	0.3
133.02946	0.6
135.00916	0.8
143.10793	0.3
155.14427	0.5
157.12424	0.4
161.04584	0.3
169.06604	0.4
180.05818	0.3
181.06619	0.6
185.06041	0.4
185.15448	0.6
194.73122	0.3
195.04558	0.5
196.05357	0.5
197.06082	1.1
208.05330	1.3
209.06055	2.4
211.03996	0.6
213.05577	0.8
223.04091	1.1
224.04814	1.6
225.05603	1.8
229.18105	0.9
251.03549	2.1
252.04301	2.9
253.05077	32.5
254.05409	3.2
279.03036	1.1
280.03522	0.4
281.04578	100.0
282.04922	10.7
345.26456	0.4
359.28088	0.6
360.28284	1.6
361.00238	15.6
361.12802	0.4
361.29611	8.0
362.00656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01381	2.3
65.65380	0.3
69.03468	0.8
71.01399	1.0
71.14539	0.4
73.02965	1.6
83.04993	0.4
89.02444	2.0
95.01414	0.4
97.06614	0.4
101.02494	0.4
106.51231	0.4
111.08185	1.6
131.03535	1.0
149.04570	9.2
156.02248	0.4
165.12862	29.1
166.13223	1.7
171.10310	0.5
177.01898	0.4
181.12402	0.5
183.13911	100.0
184.14253	6.6
191.10800	0.6
205.05052	0.5
209.11852	1.9
213.09189	0.9
214.09586	1.1
215.09842	1.3
227.12900	82.3
228.13216	6.5
238.09651	0.5
239.09915	0.5
274.41479	0.4
355.73801	0.4
359.17297	9.1
359.28082	3.8
360.17493	1.5
360.28513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.8
71.00401	1.5
136.00293	0.6
143.53749	0.7
165.38432	0.5
173.40671	0.6
259.20398	0.6
277.21741	100.0
277.54889	0.6
278.22089	12.2
359.22098	18.7
360.22363	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	359.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79360	1.3
56.74264	1.2
59.01378	4.2
62.57430	1.5
71.54907	1.9
71.55296	1.7
93.03461	1.4
98.91393	1.2
106.41428	1.4
117.96969	1.2
121.02954	10.7
122.03824	1.8
124.01683	2.4
136.05273	2.6
137.02382	1.8
141.71597	1.3
143.04971	1.6
147.04533	6.5
149.02487	2.2
150.03221	8.7
151.60970	1.3
152.01212	1.5
158.03734	6.1
159.04515	19.7
160.05309	44.9
161.06087	17.2
163.04034	8.4
164.04825	7.8
173.06073	7.4
174.06728	1.4
175.04007	3.3
175.07660	30.8
176.04831	1.5
176.07993	1.9
177.05582	11.5
178.06340	12.9
191.07007	3.2
191.87143	1.3
193.05107	1.8
193.08713	3.4
205.08635	2.7
208.07440	2.0
285.04144	1.4
329.13953	100.0
330.14194	12.7
359.07529	3.3
359.15033	3.3
359.20764	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	359.1503
Annotation	Saccharothrixin C
Peak:m/z	Relative Intensity
57.03403	2.0
59.01336	15.4
59.01658	0.8
59.40640	0.5
61.98800	0.7
63.29070	0.5
67.01895	5.3
69.03380	0.6
69.36775	4.2
71.01349	0.7
77.03931	1.7
79.05493	0.7
87.04465	0.6
87.51046	0.7
91.29108	0.5
93.03441	0.6
93.45013	0.5
105.03460	4.5
107.04996	0.9
121.02946	1.2
123.00857	0.5
130.04198	1.1
135.04515	0.5
136.05211	1.8
148.05208	1.2
149.02473	0.5
162.03139	1.1
171.08072	0.6
175.07614	0.6
183.08159	9.2
184.08414	0.6
185.11867	1.2
191.63838	0.6
193.01485	0.7
195.11810	0.9
208.08908	0.7
209.09720	8.1
210.10011	0.8
211.11246	0.6
217.00247	1.7
217.05013	0.9
227.10768	5.2
239.10782	14.1
240.11029	1.6
253.08804	2.8
253.12280	1.3
279.13824	1.4
311.25885	0.9
313.23837	5.5
323.12875	2.3
341.13947	75.7
341.27017	2.5
342.14334	9.5
357.26456	1.4
359.10501	1.3
359.15076	40.2
359.28046	100.0
360.15375	5.5
360.24310	1.0
360.28403	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	359.1353
Annotation	Yuheinoside
Peak:m/z	Relative Intensity
55.01885	3.9
57.03439	3.3
58.00584	5.4
59.01386	100.0
60.05476	1.8
61.98838	3.1
69.43912	11.4
71.01390	71.9
72.50782	1.8
72.99313	6.0
73.02943	10.4
75.00867	4.2
83.01386	5.9
85.02959	19.6
87.00877	6.7
89.02457	45.2
95.01395	4.4
97.02934	2.4
99.00901	3.9
101.02451	44.2
113.02461	25.8
119.03510	21.0
121.02959	3.2
122.03757	16.1
123.04523	6.0
130.08722	1.5
131.03534	3.0
135.04544	3.9
137.02455	4.4
137.06091	9.5
138.03221	1.8
143.03520	2.4
146.03741	14.9
153.01945	2.0
153.05556	2.5
159.03023	2.5
161.04575	6.8
161.06059	4.3
163.03987	4.2
164.04784	11.7
179.03514	2.0
179.05688	3.1
179.07144	27.9
180.07384	2.0
182.05859	27.5
195.05107	3.5
197.04344	2.4
197.08206	81.1
198.08517	5.8
359.09616	4.7
359.13498	38.1
360.13708	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	359.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13154	6.9
54.75938	7.7
58.34877	6.8
59.01383	100.0
61.98825	8.7
62.39634	7.1
66.03484	11.5
69.25376	61.2
71.01379	32.2
73.02940	12.9
75.00890	16.6
83.01363	6.7
85.02983	11.8
87.00885	9.7
89.02448	19.5
98.20647	15.4
101.02448	12.6
106.06633	8.4
107.05054	11.1
110.02466	30.9
113.02456	14.9
123.00894	12.8
123.04562	9.1
135.04465	7.9
137.06133	34.7
138.03246	27.9
138.05589	13.3
140.01173	51.7
140.06981	7.0
151.03944	10.1
153.01889	12.1
153.05582	19.8
155.03499	50.9
161.08211	13.1
165.01968	11.4
179.03418	14.2
182.02199	17.3
182.05795	7.8
195.05148	12.8
196.05402	6.9
196.12508	6.8
197.04367	33.8
197.08195	14.9
249.06181	8.0
286.07977	7.3
341.09189	7.2
359.09506	16.0
359.13943	8.4
360.09399	24.2
381.48331	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	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01723	1.6
62.68966	0.9
69.34251	6.6
71.01395	5.6
73.02953	1.3
73.16933	0.9
85.02961	2.4
89.02485	0.9
101.02454	3.2
106.04251	1.2
113.02483	2.6
119.05037	1.8
123.00100	1.2
123.00898	7.7
137.06100	54.5
138.03241	8.2
138.06450	3.7
145.09657	0.9
153.05562	3.5
159.03020	1.3
161.04587	9.4
166.99884	2.4
182.02275	4.3
183.67740	0.9
195.05132	1.1
197.04533	17.0
204.45773	0.9
209.71225	1.0
242.49855	0.9
242.84767	1.0
299.11243	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	359.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
68.99821	26.8
69.28989	12.6
80.05062	29.4
80.65685	1.3
104.05074	3.1
107.03779	2.3
108.04546	1.9
116.05074	1.5
122.06134	20.4
132.04565	100.0
133.04929	6.8
134.06149	2.5
144.04543	3.3
150.05630	29.8
151.05925	2.5
152.07182	55.6
153.07536	3.8
162.05554	3.3
211.06158	2.6
213.16876	1.7
297.12436	45.7
298.12775	6.1
315.13519	29.7
316.13913	4.1
329.13916	2.0
359.46387	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.0
62.09779	0.6
65.54514	0.5
68.99821	16.7
69.63929	3.6
70.00190	0.6
71.01382	1.8
73.02947	0.6
75.00875	0.7
80.05067	24.1
81.03461	0.8
81.05365	0.9
82.92689	0.6
85.02966	0.6
86.24560	0.6
92.65531	0.6
100.59613	0.6
104.05077	3.9
106.06601	1.2
107.03787	2.9
108.04580	1.2
113.02499	0.8
116.05037	1.1
122.06139	18.2
123.06522	0.9
132.04572	100.0
133.04868	4.5
134.06064	1.4
144.04591	2.2
150.05612	22.2
151.05949	1.3
152.07190	46.7
153.07535	2.7
153.12958	0.8
155.01913	0.6
162.05629	1.5
197.11911	1.1
215.60292	0.6
222.63603	0.7
227.12877	4.7
241.14491	2.6
245.13051	1.1
273.12582	0.9
297.12466	46.2
298.12759	5.7
315.13553	22.3
316.13895	3.3
359.12988	1.4
359.17001	1.5
359.21027	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	359.1252
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
57.03445	1.8
59.01381	18.7
69.99562	7.5
71.01395	8.1
72.00901	11.9
72.99316	18.1
73.02972	1.9
75.00869	7.6
76.48541	1.6
81.50375	1.8
83.01398	2.7
85.02957	5.3
87.00906	2.2
89.02448	6.3
99.00874	3.4
101.02448	5.5
117.05582	3.7
119.05025	2.4
121.02965	26.7
123.00911	4.4
123.04510	8.6
125.02453	4.0
129.01967	2.9
134.03746	1.9
135.04539	20.9
136.07724	2.8
137.06094	2.5
138.03247	3.5
145.83647	1.6
148.77673	1.9
151.03955	1.8
153.01932	10.8
153.05574	5.6
159.02965	2.0
164.04797	10.2
166.05093	4.7
177.04077	16.1
179.03543	15.3
179.07082	4.5
180.06639	6.1
181.05122	10.8
182.02182	3.7
186.75114	1.4
193.06564	7.5
195.00699	1.6
195.05057	7.1
196.05313	2.6
197.04515	35.8
197.08163	4.9
198.04843	3.1
207.08189	7.8
209.06062	2.5
211.07735	3.1
219.08163	19.1
220.08571	3.3
223.07634	7.3
224.08440	9.0
224.10278	1.8
225.09148	10.7
234.09157	2.0
236.10802	4.3
237.05675	3.2
237.06755	2.1
237.09198	29.7
238.09496	2.1
240.10358	3.2
252.10365	9.5
253.08539	3.2
254.08321	3.0
254.11923	9.7
255.08144	1.8
256.07422	6.9
263.07181	9.7
268.09790	2.8
273.10052	2.6
280.09879	9.9
281.08212	13.0
285.10254	3.2
292.72339	1.8
296.09186	2.2
298.10901	10.2
299.11340	1.8
300.06531	2.1
310.93127	1.8
313.11902	8.1
314.10251	2.1
315.13528	2.2
317.08929	3.9
324.08780	8.2
332.36249	2.1
341.11533	47.6
342.09555	4.2
342.11954	3.8
359.12897	100.0
360.13318	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	359.0988
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01385	34.6
69.81938	1.4
69.82353	2.4
71.01382	2.8
73.02942	1.2
73.74933	0.7
74.82755	0.7
75.00871	1.2
85.02966	0.9
95.01386	3.5
101.02454	2.0
106.25938	0.7
113.02428	1.8
116.86079	0.7
121.94682	0.8
123.00899	39.8
123.04539	0.8
124.01254	1.8
137.02472	1.5
137.06094	20.4
138.03239	54.0
139.03552	2.3
140.01151	1.1
153.05583	19.6
154.05948	1.0
161.04578	3.6
161.08211	1.2
166.99876	10.7
182.02219	39.4
183.02571	2.8
195.05077	0.8
197.04559	100.0
198.04929	4.7
254.89743	0.9
257.74658	0.7
359.09778	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	359.0987
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
57.03445	1.6
57.46567	0.9
59.00781	0.9
59.01384	13.2
65.00322	1.4
68.73100	1.0
68.99804	1.2
69.03404	1.0
70.39824	2.9
71.01393	5.7
72.99313	13.6
73.02956	2.3
75.00881	1.0
77.05959	1.0
81.03465	1.2
83.01380	6.3
84.85287	1.0
85.02980	1.9
87.00860	1.5
89.02444	4.3
93.69070	1.0
94.11253	1.1
95.01366	2.9
99.00923	2.3
101.02452	2.1
107.01366	2.1
109.02952	3.9
111.00864	1.3
113.02467	1.7
119.03395	1.0
121.03002	1.7
123.00893	31.8
123.04510	5.4
125.02471	17.9
135.04541	21.5
136.04904	1.2
137.06094	3.4
138.03238	46.8
139.03534	1.4
149.04558	9.0
151.00371	6.4
152.00903	1.0
153.01952	46.8
153.04485	1.6
153.05582	18.9
154.02274	2.7
154.05911	1.5
166.99834	8.1
178.99823	2.1
179.03503	8.9
181.04907	1.5
182.02235	35.1
183.02513	1.8
195.05000	1.6
197.04565	100.0
198.04883	4.4
297.09833	1.2
315.07178	3.8
315.10760	1.1
359.06015	2.8
359.09824	11.6
360.09821	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	359.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
59.01384	7.3
69.04090	0.5
69.24512	0.7
71.01396	1.6
73.02950	0.9
80.05066	0.7
81.25506	0.6
83.01424	0.6
85.02972	0.6
87.00883	1.0
92.05048	1.6
106.02977	1.4
108.08194	0.7
109.02934	0.8
119.05052	1.0
120.04542	2.6
121.03004	2.9
122.06118	2.2
123.04524	0.8
131.06143	2.5
132.04594	0.8
133.01694	2.3
134.02458	0.7
137.02417	1.2
139.00380	0.7
144.08209	1.6
145.02933	3.2
147.03290	51.5
147.04488	5.2
148.04071	12.3
152.01289	0.7
157.05310	1.8
159.05698	0.7
159.09248	0.9
162.01993	0.7
163.03989	5.6
164.04884	0.6
165.01875	0.6
165.12813	0.8
169.05345	1.5
171.06857	1.0
172.07693	1.6
172.30310	0.7
173.02379	1.1
174.03232	4.8
175.04008	18.3
175.07623	0.7
176.04794	7.0
177.05606	1.6
179.03609	0.7
179.10907	0.6
180.02921	0.7
180.04312	6.1
184.07678	1.9
187.08781	8.2
188.04811	2.9
189.05603	6.9
190.06374	15.4
191.02231	3.7
191.07149	15.2
192.07516	0.6
193.05063	7.3
194.05853	2.9
198.05669	0.8
199.05135	2.1
199.08867	0.9
200.05602	1.4
200.07391	3.3
203.07106	1.5
205.08739	11.4
207.06621	4.7
208.07416	9.1
211.13371	2.4
212.07401	6.1
213.03015	2.2
213.06685	2.9
213.14951	1.9
214.07468	0.6
215.08214	3.6
215.11916	1.5
222.08836	1.2
223.09840	1.3
223.13435	0.7
225.06595	0.9
226.07413	1.7
227.04640	30.5
227.07907	3.4
227.12917	1.5
228.05261	4.5
240.05437	1.1
241.06134	1.8
241.09898	2.8
241.14479	5.1
242.06985	6.0
243.07767	63.9
243.11314	6.0
244.08073	5.0
251.12950	1.3
253.09900	3.1
254.06911	0.9
255.05200	1.3
255.07759	18.4
255.10440	1.1
256.08044	1.9
269.09451	5.1
271.08191	1.2
271.10904	15.5
272.11240	1.6
283.10886	1.1
287.06824	5.0
287.09796	0.9
297.08859	7.0
298.09128	0.7
299.06583	1.4
315.09888	13.0
316.10214	1.1
317.15991	1.1
317.19455	1.5
329.14111	1.1
344.12634	2.0
345.12888	0.7
359.08817	100.0
359.14981	24.8
359.20679	3.9
360.09189	11.8
360.15280	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32293	0.6
56.22021	0.6
57.03437	0.8
59.01384	11.5
63.34320	0.6
65.75192	0.5
68.99829	4.0
71.01386	2.0
71.05024	0.9
71.55189	0.9
71.55563	0.6
73.02946	0.8
75.00900	0.6
80.05062	9.3
80.58983	0.6
80.87801	0.6
81.03460	1.2
83.05025	5.7
85.02969	1.3
85.06607	0.8
87.00873	1.1
97.06613	1.0
99.04521	0.8
101.02471	0.7
102.05604	0.7
104.05074	2.0
106.06639	0.7
107.05045	1.3
108.04565	34.3
109.02956	2.2
109.04910	1.2
121.10248	1.0
121.15796	0.6
122.06153	2.2
123.04552	0.7
123.08199	0.9
132.04564	100.0
132.79683	0.6
133.04944	4.7
134.06104	0.8
135.03061	0.8
138.05638	8.1
139.11307	1.9
146.04620	1.6
147.08176	1.8
149.04579	0.7
150.05598	7.7
152.03568	1.0
152.07225	1.0
153.12868	1.2
153.38068	0.7
164.03549	6.2
165.09207	4.9
165.12846	3.7
183.10268	12.6
184.10741	0.7
197.04579	1.4
197.11790	1.7
197.61700	0.7
209.08250	5.0
209.11880	1.9
211.09789	1.3
225.10616	0.8
227.09387	18.3
227.12883	51.2
228.09723	1.4
228.13171	3.4
241.10782	1.0
253.09840	22.2
254.10187	1.8
255.06799	0.7
271.10925	2.8
272.11261	1.3
279.07813	1.0
297.08829	37.0
298.09268	4.2
305.03287	0.8
309.32568	0.7
315.09906	2.6
344.12659	2.4
359.06537	1.5
359.14267	3.0
359.16959	2.0
359.20984	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03199	0.9
57.03455	11.7
57.91348	0.6
58.00603	6.1
59.01392	5.0
60.39417	0.6
68.40823	0.6
69.03452	1.2
69.61057	4.0
71.01390	1.7
71.05026	0.6
85.06600	1.4
85.30238	0.6
87.00874	2.0
93.03462	11.2
93.07103	13.4
94.07973	0.6
97.06609	0.6
99.08189	2.3
103.00392	1.8
106.04276	1.0
107.05042	12.1
108.02213	0.8
112.98822	2.4
119.05010	4.4
121.02969	20.8
122.03295	0.9
123.08152	0.7
131.04991	1.9
133.02975	1.1
135.04553	1.9
137.06116	1.5
143.10783	8.0
147.04544	3.7
149.06100	10.6
155.10724	0.8
163.04054	2.1
165.05586	100.0
166.05882	6.0
175.04022	2.3
193.05077	15.6
209.04562	1.7
211.16983	1.5
227.12926	0.7
229.18100	38.3
229.61580	0.7
230.18408	1.1
237.04024	5.4
297.81082	0.7
299.26001	1.1
333.92316	0.6
359.20749	1.7
359.24368	1.5
359.28012	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0776
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
57.03444	1.4
58.35880	0.3
59.01382	0.7
61.98824	1.5
63.02401	3.6
65.00330	3.2
69.50198	2.4
71.01363	0.4
71.05003	0.5
83.01393	3.6
85.06596	1.4
87.46771	0.3
92.67032	0.4
93.07101	1.3
95.01382	0.4
107.01402	7.7
109.02955	0.8
121.02991	0.5
123.00890	0.7
124.01679	4.0
125.02457	1.8
126.12245	0.3
133.02956	1.2
137.02463	0.7
149.02451	1.6
149.99603	4.0
150.03204	0.6
151.00392	27.6
151.03986	1.1
152.01192	5.4
153.01947	2.2
161.02426	0.4
165.01938	1.2
169.01392	0.9
171.13847	0.3
175.04024	1.1
176.01224	0.8
177.01971	5.3
178.99910	0.7
183.13954	0.5
189.02077	0.5
191.03534	1.8
192.00606	0.4
192.04303	1.4
193.01411	2.0
197.59691	0.3
199.04092	0.4
202.99887	0.5
207.02966	1.3
211.04140	0.4
215.03549	0.6
217.05045	0.5
229.18085	4.8
239.07205	0.3
241.05128	0.4
243.02890	0.6
255.03064	0.5
257.04749	1.0
257.08038	0.4
266.02313	0.3
281.04565	0.5
283.02512	0.7
284.03021	0.5
285.04044	1.2
297.03937	1.7
298.04858	0.8
301.03561	4.7
302.03973	0.5
311.02121	0.6
313.23892	0.4
315.05142	2.4
316.05499	0.6
325.03564	1.1
326.04315	1.8
327.05148	6.9
328.05426	0.5
329.03061	25.4
330.03317	2.7
343.04614	4.5
344.05365	13.3
344.08771	0.3
345.05753	1.5
359.07755	100.0
359.28012	4.2
360.08099	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	359.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	3.2
59.01392	3.8
61.98832	1.5
62.77883	0.8
63.02377	0.9
63.65655	0.5
65.00326	2.3
66.30579	0.6
67.01906	1.6
68.99833	3.6
71.01395	2.0
71.30069	1.0
75.00902	0.8
81.03458	2.0
83.01392	16.4
85.02946	1.6
89.02440	1.2
91.01901	0.6
93.41371	0.6
95.01383	1.1
97.02985	1.0
101.02415	0.8
107.01408	4.1
109.02962	7.8
110.03301	0.6
111.00904	1.4
113.02448	1.1
121.03020	1.4
123.00906	2.0
123.04533	0.9
125.02460	41.1
126.02769	1.1
134.03711	0.9
135.00923	0.7
135.04523	5.4
137.02466	0.6
137.06046	0.8
138.03247	2.5
139.04021	1.0
149.02390	3.1
149.06137	0.9
151.00374	16.9
152.00861	0.7
153.01950	100.0
154.02296	4.7
161.04552	0.9
166.99834	0.6
167.03499	2.2
167.21371	0.6
169.68111	0.5
177.01958	2.2
178.99852	3.5
179.03484	0.6
180.00145	0.6
181.04941	0.8
182.02231	2.1
195.03001	2.0
197.04500	5.0
197.08281	0.8
287.07776	0.9
315.07236	8.1
316.07816	0.8
341.05200	1.6
355.29599	0.6
359.06125	7.8
359.09888	1.3
360.06573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43804	30.8
59.01392	59.5
70.67000	100.0
72.81591	37.2
269.87424	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58037	0.4
59.01385	76.9
60.01711	1.0
64.05015	0.5
68.00681	0.5
69.36076	0.7
69.36477	3.2
85.75634	0.4
91.02460	0.5
121.25946	0.5
124.65256	0.4
132.98218	1.4
157.03587	2.2
160.99748	0.4
174.99266	19.7
201.02568	22.6
202.02769	2.8
217.00316	100.0
218.00641	3.9
283.79257	0.5
359.01419	3.0
360.01675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18327	2.6
57.03445	2.8
59.01384	31.8
69.03423	3.0
69.89822	12.4
70.19611	2.6
71.01399	15.3
71.01744	3.1
71.58905	3.5
73.02961	4.2
75.00885	3.0
83.01405	5.2
83.05048	4.7
87.00890	4.2
89.02444	6.5
90.15299	2.5
93.03471	14.0
95.34544	2.4
97.02953	3.7
97.06664	3.8
99.00896	10.7
101.02435	5.4
101.39403	2.9
106.61128	2.4
107.05053	4.6
109.02975	5.8
111.08150	3.4
113.02471	3.3
114.22436	2.8
117.03465	8.1
119.05036	5.7
121.03000	3.4
125.02454	2.7
131.03506	2.9
131.05011	4.4
132.05840	4.1
133.06621	3.9
135.04489	4.0
137.09747	3.2
143.05046	3.3
145.02975	4.1
145.06644	10.6
147.04538	43.7
149.04678	3.6
149.06042	4.6
152.04849	3.6
153.01958	8.6
153.05623	5.0
155.10773	3.3
157.06610	6.3
159.04451	3.5
160.05330	4.6
161.06081	6.0
163.07600	3.9
164.04784	12.9
165.05490	4.8
169.06668	5.4
171.04572	4.2
173.06111	14.3
175.03998	12.1
175.07690	4.5
177.05580	9.0
178.02740	5.9
182.05815	9.3
183.10243	6.5
187.07671	25.8
189.05597	34.7
191.07153	10.2
196.03812	13.2
197.08231	26.9
201.05568	17.7
202.06000	2.9
205.05145	16.2
219.06602	29.5
221.04572	28.7
227.09271	8.8
227.12926	34.9
235.06323	4.0
261.07626	7.9
263.05615	47.7
264.06003	3.3
279.08698	7.6
323.07745	100.0
323.11569	5.4
324.08047	14.8
359.05341	18.8
359.09665	6.6
359.13831	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	358.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.8
65.61969	1.0
67.01882	4.2
69.03474	1.2
69.60053	7.6
71.01388	3.3
71.10078	1.2
72.00886	2.2
72.99285	1.1
73.02940	2.0
74.02480	100.0
75.00867	1.9
75.02821	1.1
82.02986	2.4
82.06631	4.5
83.01354	1.4
83.02459	1.4
83.05024	1.3
87.00878	1.6
89.02477	1.8
95.41158	1.0
98.02486	80.5
99.00872	4.4
99.02799	1.6
100.00403	4.0
101.02435	2.0
107.05050	1.7
109.02985	1.3
111.03275	1.6
112.02796	3.0
112.04033	3.4
112.07716	1.9
116.03528	4.3
118.05119	14.0
124.11308	1.5
125.03549	4.3
130.08728	1.4
137.02451	1.4
138.09245	1.6
139.07730	1.2
139.08810	4.0
140.07149	4.3
140.10835	1.4
141.10338	3.8
143.04643	3.0
147.04500	2.2
150.09251	2.3
152.07239	1.2
153.01967	2.2
153.05550	3.7
154.08759	1.8
164.10811	2.6
167.11775	2.7
168.10315	13.2
169.09798	4.0
178.05122	1.4
179.12003	2.5
181.09839	2.3
182.11784	1.1
185.09232	1.6
187.07547	1.3
189.05556	2.3
189.10365	1.9
194.05496	1.3
194.08238	18.2
195.05206	1.7
195.08604	1.9
196.05437	1.3
197.04602	3.2
207.11391	18.3
208.54004	1.3
212.09233	5.7
225.12459	8.5
227.09265	1.6
227.12903	1.7
232.85854	1.2
239.10258	1.5
257.11429	7.2
269.11432	71.8
270.11682	6.0
313.14044	19.1
314.13647	20.2
315.13867	2.7
323.07733	4.5
343.15405	1.2
358.16183	38.2
358.20584	1.9
359.09616	2.9
359.16495	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	358.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
59.01392	12.2
62.98087	1.3
63.03273	1.2
66.03503	2.4
67.01901	2.9
70.02988	1.6
70.92200	2.6
71.01392	7.2
71.75816	1.2
72.00894	4.4
74.02480	100.0
75.00874	12.1
75.02816	1.8
76.01233	1.5
79.63194	1.3
82.02994	3.4
82.06621	3.6
85.02949	2.1
87.00906	2.0
89.02444	3.0
98.02484	81.6
99.00893	5.3
99.02823	2.9
100.00412	4.8
101.02473	2.7
107.84319	1.2
112.02797	2.7
112.04041	3.4
116.03514	2.9
118.05122	12.7
123.04536	15.2
124.04860	7.4
124.11261	1.3
125.02451	2.0
125.03577	5.5
129.01936	2.6
130.02324	1.6
134.06107	3.5
135.04500	2.3
136.04889	2.1
139.08772	5.5
140.07169	5.0
141.10365	3.6
143.04619	2.9
150.09233	2.9
152.07193	4.5
153.05592	14.6
154.05919	12.3
154.08687	1.5
155.08131	1.4
159.03072	2.2
164.10796	1.8
166.08760	2.9
168.10297	11.0
169.09824	5.4
179.03450	1.4
179.11945	2.2
181.09877	1.5
194.08223	17.6
195.05101	17.5
195.06744	1.7
196.05414	14.3
197.08211	2.0
205.09702	1.8
207.11426	17.3
212.09291	5.0
225.12440	9.7
231.13608	1.5
257.11453	6.5
269.11441	74.3
270.11792	6.4
276.25674	1.3
313.14044	21.1
314.07611	1.4
314.13666	26.9
315.13968	2.5
336.39740	1.3
341.94437	1.5
358.08658	3.7
358.12003	2.3
358.16190	44.1
359.09235	1.6
359.16602	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	357.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
57.72026	0.9
58.00601	1.4
59.01387	100.0
65.00336	1.1
71.01375	7.1
72.01761	0.9
72.99313	1.8
73.02959	3.5
75.00901	1.5
80.54380	1.0
83.01406	1.6
84.02174	1.5
85.02964	2.6
87.00911	1.3
89.02457	4.4
95.01410	1.5
95.05061	1.3
97.06626	1.4
97.15660	1.1
101.02451	3.6
104.05064	1.3
113.02480	2.8
119.03539	1.8
125.09782	1.3
130.08780	1.3
132.04564	7.0
136.07706	17.8
137.09772	1.2
149.99637	4.8
151.04041	2.3
161.02513	1.7
167.03439	1.8
171.10229	6.9
172.05075	1.1
173.06094	1.1
176.03639	1.5
177.04045	1.6
193.12419	1.6
195.05125	1.9
195.13792	1.0
200.04688	1.1
208.06357	1.1
225.15013	4.7
281.13019	3.5
285.04135	1.4
298.04703	1.2
299.05606	1.4
313.27451	1.5
325.11859	10.7
326.12390	1.4
327.04984	3.4
342.07565	5.9
357.05951	2.0
357.09836	8.2
357.14328	3.2
357.18793	2.1
357.22769	16.6
357.26599	8.1
358.23099	1.5
382.26199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2074
Annotation	Kuhistanol G
Peak:m/z	Relative Intensity
69.45782	21.6
69.46208	13.2
69.87084	4.2
70.14410	4.9
74.42053	4.7
81.03474	8.4
95.01395	28.3
98.20599	8.3
111.00918	4.9
111.04520	19.8
121.02966	7.5
122.03697	5.0
123.04542	6.2
143.05069	25.3
187.07654	20.4
215.10776	14.5
216.11380	10.4
229.12314	8.6
281.19107	7.8
283.17087	12.2
298.19476	8.0
313.18097	7.0
313.21738	100.0
314.22180	17.4
357.06070	8.2
357.20639	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	357.1711
Annotation	Perforaquassin A
Peak:m/z	Relative Intensity
70.14941	1.6
71.05028	8.0
71.21027	0.4
72.59912	0.5
95.05038	0.6
95.49643	0.4
96.95436	0.4
121.02946	1.3
134.03755	1.9
135.04503	1.0
136.01633	0.5
137.02426	0.7
145.55624	0.5
149.02460	1.3
149.06088	4.9
152.68123	0.4
213.09221	4.9
214.06348	0.4
225.09225	71.9
226.09641	8.0
227.98842	0.5
233.36864	0.5
239.10835	4.2
240.11177	0.6
254.11630	0.7
265.12393	1.3
267.13940	9.2
268.14453	1.0
269.08212	0.6
281.15518	2.4
283.17166	0.5
297.03967	0.5
298.15875	2.3
311.16528	7.7
312.17050	0.9
313.18118	38.3
314.18448	5.5
339.17438	0.4
357.17087	100.0
358.17459	15.3
368.17111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1712
Annotation	Rosmaquinone B
Peak:m/z	Relative Intensity
59.01375	0.7
61.98831	0.8
65.18820	0.6
68.11702	0.6
69.39497	4.8
71.01428	0.7
76.58406	0.6
89.42191	0.6
107.05035	12.9
121.02979	2.1
122.03801	0.6
135.04535	41.5
136.01665	1.1
136.04880	1.7
147.04469	1.3
149.06042	1.1
151.04030	0.8
157.08611	0.6
165.05527	0.7
225.09222	11.2
226.10004	46.4
227.10365	4.5
237.09253	2.0
241.12354	58.6
242.12669	4.8
243.12885	0.8
295.17017	8.0
296.17303	1.2
297.24426	2.2
311.16595	0.6
313.18124	6.0
357.17087	100.0
357.26410	2.2
358.17432	14.6
358.56958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1711
Annotation	Perforaquassin A
Peak:m/z	Relative Intensity
54.69181	0.5
54.74778	0.6
55.97109	0.5
56.77022	0.5
57.03452	1.5
64.76839	0.6
67.01892	2.5
68.01730	0.5
70.58968	1.5
84.62689	0.6
96.81139	0.6
98.45486	0.6
104.62629	0.6
148.05376	1.3
149.06094	1.2
185.35620	0.6
225.09213	15.4
226.09618	1.3
234.62094	0.6
237.09195	1.6
237.11380	0.6
239.10793	36.8
240.11224	3.9
255.13925	4.4
281.15469	0.8
295.17023	5.8
296.17102	0.7
297.15039	2.3
298.15729	0.9
313.14380	1.5
313.18121	48.1
314.18460	6.6
357.17078	100.0
358.17407	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	357.1347
Annotation	CHEBI:70490
Peak:m/z	Relative Intensity
50.66451	0.4
55.01892	0.6
57.03446	1.2
58.00592	1.6
59.01384	36.0
65.00314	0.6
67.01897	1.3
69.03466	0.4
71.01382	7.8
71.54215	0.4
71.54578	0.4
72.99310	2.2
73.02943	0.9
75.00881	0.4
81.03471	3.1
83.01396	1.5
84.02164	0.5
85.02954	1.3
87.00871	0.7
87.04533	0.4
89.02450	4.8
91.05547	0.7
93.03459	0.9
95.01392	2.0
95.05060	0.5
97.02940	0.6
97.06623	0.5
98.95660	0.4
99.25635	0.4
101.02454	4.6
107.05014	0.9
108.02197	1.9
109.02982	1.1
113.02467	0.8
117.03457	0.6
119.03502	0.7
119.05080	0.4
121.02952	1.3
122.03750	22.0
123.00858	0.6
123.04050	0.5
124.01665	0.5
125.02447	2.2
133.02937	0.5
133.06531	0.5
134.03743	2.9
135.04544	3.6
136.01689	1.0
136.05338	3.2
136.98851	0.4
137.02467	2.4
145.02962	0.9
146.03740	6.1
147.04495	0.6
148.01645	0.8
148.05330	1.4
149.02486	0.7
149.06003	0.4
150.03261	0.5
151.04033	1.6
153.01964	0.7
156.05762	0.6
158.03741	0.8
159.04503	2.1
160.01625	0.7
161.02440	11.2
162.03130	0.9
163.04047	1.2
164.98207	0.4
169.06607	0.8
169.10228	2.5
171.08156	9.6
171.10262	2.4
172.05380	0.5
172.08588	0.8
174.03210	1.2
175.04077	1.8
176.04681	0.6
178.02724	2.6
179.03464	0.7
187.04001	1.1
188.04805	1.5
195.05104	0.8
197.09663	1.0
209.09764	0.8
211.07695	0.9
211.11238	0.6
212.08319	0.5
213.09222	100.0
214.09573	10.9
223.07657	0.4
223.11311	0.5
225.09218	7.3
225.14978	0.6
226.09885	2.0
227.10802	9.3
228.11172	0.5
235.11388	0.7
237.09213	48.0
238.09573	6.0
239.10791	6.5
249.09322	1.8
251.10800	7.0
252.07898	2.6
252.10724	0.8
253.08694	4.5
253.12386	2.1
254.09341	0.9
255.10265	10.9
256.10632	1.3
261.09277	0.5
263.10791	0.6
265.08667	2.3
265.12216	0.6
266.09244	0.5
267.10266	7.0
268.10706	1.0
269.11829	1.1
269.17560	0.8
279.10297	9.4
280.10617	1.3
281.11862	1.7
283.12817	0.5
291.10294	1.3
293.11789	1.0
297.11368	2.6
298.11642	0.4
299.02008	0.6
309.11465	2.2
311.12823	0.5
321.11484	0.8
321.24405	0.5
327.01596	1.1
327.12360	0.7
339.12442	1.0
342.03766	1.6
357.06168	2.2
357.13449	43.7
357.22739	3.6
357.26563	2.9
358.06747	0.5
358.13840	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	357.1346
Annotation	Saururin A
Peak:m/z	Relative Intensity
57.32372	0.5
68.99848	1.3
70.77316	1.3
73.02965	0.5
81.03461	0.7
90.23911	0.5
91.01906	1.3
91.11515	0.5
108.02188	0.8
111.04510	0.6
119.15809	0.5
120.08772	0.5
122.03754	7.9
125.02454	0.6
135.39371	0.5
148.01750	0.7
148.77652	0.5
150.03230	2.5
153.78792	0.5
161.02463	10.7
169.06609	1.2
169.10226	0.9
171.08154	3.7
172.08730	0.5
189.05594	1.2
195.08188	1.3
213.09227	28.1
214.09505	2.1
223.07646	1.4
225.09209	2.4
237.09225	3.8
239.07129	4.1
241.08723	56.6
242.09087	4.8
252.07912	3.2
253.08675	1.2
267.06628	17.0
267.13873	0.8
268.07040	1.8
277.12408	1.0
285.07751	8.9
286.07880	0.9
295.13501	7.7
296.13696	0.9
299.09348	0.7
313.14520	1.9
341.08572	0.6
357.13449	100.0
357.26291	1.5
358.13782	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	357.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
57.18617	0.4
59.01384	5.3
64.21806	0.4
68.99802	1.2
70.00067	1.0
70.00455	1.1
71.01387	0.5
78.30515	0.5
81.03442	1.8
83.01322	0.4
85.06621	0.4
91.01920	3.0
95.04992	0.6
108.02180	1.6
122.03745	13.7
123.04005	0.8
125.02415	1.3
126.57076	0.5
137.02403	1.7
143.10791	0.5
146.03722	0.5
148.01654	0.6
150.03226	4.1
151.04022	0.6
153.01959	0.5
161.02495	3.4
165.01926	1.1
169.06586	1.8
169.10210	1.7
171.08177	7.7
171.09705	0.6
171.10283	0.7
172.08565	0.6
182.02142	1.6
195.05072	0.8
211.07709	0.6
213.09238	43.5
214.09598	4.0
229.18054	0.6
237.09244	6.7
238.09511	0.6
239.07204	6.4
240.07573	0.8
241.08725	52.2
242.09036	5.7
267.06693	0.6
277.12344	1.0
281.08203	1.9
285.07706	100.0
286.08093	9.9
295.13342	0.8
299.05576	0.6
313.14450	1.1
313.27383	0.8
327.04938	0.6
339.21701	0.5
342.07422	1.1
357.06100	0.9
357.09946	1.3
357.13501	18.2
357.17999	1.1
357.22601	3.7
357.26389	3.9
358.13733	2.6
358.22858	0.7
358.26685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1344
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
52.93589	0.2
59.01373	0.7
69.03476	0.3
69.25784	0.6
69.26203	1.0
71.01392	0.3
73.02961	0.2
75.00883	0.3
84.02191	0.4
85.02956	0.6
87.00909	0.2
93.03459	1.4
95.01385	0.4
95.62384	0.2
98.20610	0.4
108.02201	1.7
108.08205	0.9
109.02959	0.6
110.74880	0.2
115.61156	0.2
118.97990	0.2
121.02966	8.0
122.03764	3.4
122.06152	0.5
123.00912	0.4
123.04527	0.2
124.01669	0.5
133.03018	0.3
134.03740	1.0
135.04546	0.4
136.01674	79.8
137.02121	3.0
149.06056	0.5
151.04019	100.0
152.01100	0.3
152.04372	4.5
152.07162	1.3
153.01935	0.3
154.02739	0.3
159.04489	0.7
160.05280	0.8
161.02489	0.6
161.06032	0.3
162.03227	1.1
163.04063	1.4
173.06079	0.2
175.04022	0.9
175.07599	1.4
176.04764	0.7
177.05620	1.0
179.03506	0.6
187.04024	0.5
188.04744	0.4
189.05560	0.8
190.06224	0.3
192.06647	0.8
193.05122	0.3
195.05118	0.3
196.06114	0.5
202.74178	0.2
203.07118	0.5
210.83012	0.2
211.08002	0.4
241.05200	0.3
256.07382	0.2
267.06696	0.3
285.04037	0.5
297.04010	0.3
298.04910	0.2
299.08902	0.2
311.12900	0.9
312.06369	0.5
327.08728	1.3
327.12341	0.4
339.12616	0.2
342.11072	5.5
343.11337	0.7
346.40106	0.2
357.06146	0.7
357.13446	22.5
358.13870	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1344
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01392	0.5
69.03474	0.4
69.39929	1.1
71.01391	0.3
83.01424	0.2
83.06554	0.1
84.02187	0.4
85.02969	0.5
93.03484	1.5
94.03877	0.2
95.01410	0.5
98.20624	0.3
101.02499	0.2
107.05023	0.3
108.02195	1.9
108.08215	2.3
109.02971	0.9
120.32009	0.1
121.02966	9.1
121.70454	0.2
122.03770	3.6
122.06142	0.3
123.00903	0.4
123.04556	0.3
124.01678	0.7
126.63496	0.1
133.02939	0.5
134.03761	0.9
135.03000	0.2
135.04501	0.5
136.01672	78.1
137.02107	3.1
138.02956	0.2
145.06627	0.3
147.04497	0.4
149.06116	0.2
150.03175	0.2
151.04019	100.0
152.04372	4.8
152.07176	2.6
153.01918	0.2
154.02739	0.6
159.04526	0.6
160.05299	1.2
161.02420	0.8
161.06061	0.4
162.03247	1.6
163.04053	1.3
164.04805	0.3
166.08740	0.4
166.77173	0.1
167.08946	0.2
173.06094	0.2
175.03975	0.7
175.07648	1.5
176.04727	0.5
177.02026	0.2
177.05553	1.1
179.03519	0.7
180.44023	0.2
187.04054	0.5
188.04770	0.4
189.05559	0.6
190.06311	0.4
192.06696	0.7
193.05000	0.2
194.08301	0.2
195.05058	0.3
196.06184	1.3
203.07161	0.4
211.08000	0.3
213.05562	0.2
241.04993	0.4
256.07449	0.4
268.07169	0.1
269.61914	0.2
285.03998	1.7
296.10605	0.2
297.04062	0.2
297.07742	0.2
298.04672	0.2
299.05594	0.2
311.12823	1.1
312.06482	0.3
313.03531	0.5
313.06903	0.2
327.08752	1.0
342.11115	5.5
343.11334	0.6
357.06213	0.5
357.13443	20.5
358.13855	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	357.1344
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01384	1.2
59.34475	0.2
67.01935	0.3
67.06196	0.2
69.03462	0.5
69.23672	0.3
69.23882	0.5
69.24286	1.7
71.01395	0.4
71.93530	0.2
73.88812	0.2
85.02969	0.4
93.03490	1.3
95.01394	0.5
97.02954	0.4
99.12511	0.3
108.02199	1.9
109.02956	0.7
114.39824	0.3
121.02972	9.6
122.03773	4.0
123.00893	0.4
123.04544	0.4
124.01675	0.6
125.09707	0.5
132.04549	0.4
133.02975	0.5
134.03741	1.1
135.04585	0.6
136.01675	79.8
137.02113	3.2
148.44702	0.3
149.02451	0.3
149.06082	0.5
151.04024	100.0
152.04390	5.6
154.02716	0.5
158.03780	0.3
159.04494	0.8
160.05304	1.2
161.02429	0.8
161.06065	0.4
162.03236	1.2
163.04047	1.5
175.04028	0.7
175.07639	1.6
176.04749	0.5
177.05534	1.0
179.03506	0.7
181.12346	1.3
187.03888	0.6
189.05598	1.0
190.06155	0.3
193.05092	0.3
195.05144	0.4
201.09541	0.3
203.07133	0.4
213.09271	1.8
225.11308	1.5
227.10912	0.4
237.09187	1.3
285.04044	0.4
297.04013	1.0
298.04727	0.4
299.05872	0.3
311.12851	1.0
312.12973	0.3
342.11121	4.9
343.11316	0.8
357.06912	1.6
357.13446	20.4
358.13916	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	48.2
64.04598	1.5
64.94485	1.4
69.82769	7.4
71.01396	15.6
75.00865	4.0
85.02962	4.5
87.00887	1.7
89.02452	17.6
98.19992	2.6
98.48035	1.9
99.00890	1.8
101.02463	10.3
108.02197	1.7
113.02476	5.1
117.67886	1.4
119.03516	6.4
121.02961	2.5
123.04496	4.0
124.01630	1.5
134.03763	2.9
135.04549	12.5
136.05325	14.9
151.04036	4.7
151.07690	3.4
152.07153	8.1
153.01958	2.6
153.05656	2.1
162.03239	50.2
162.04613	2.4
163.03796	4.5
177.05580	73.3
178.05898	7.1
195.05083	9.0
195.06636	100.0
196.06924	6.8
213.20944	1.5
357.11792	1.8
382.64545	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	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.7
61.28877	0.5
63.21052	0.5
71.01380	3.4
71.54770	0.8
73.02963	1.0
74.02497	0.6
75.00884	2.6
77.43907	0.5
85.02956	1.9
87.00877	0.9
89.02457	1.4
94.14201	0.5
98.02438	0.9
99.00892	0.9
101.02467	2.0
106.43842	0.5
108.02184	1.9
109.03008	0.7
113.02468	1.3
117.15906	0.6
119.05038	2.1
121.02955	1.9
123.04546	3.6
124.01602	0.8
125.02473	0.7
129.01967	1.7
134.03719	1.7
135.04544	11.0
136.05336	12.5
137.09732	0.7
150.03128	0.7
151.03992	2.9
151.07642	3.4
151.92682	0.5
152.04391	0.5
153.01949	1.4
153.05620	0.8
156.68127	0.5
158.45935	0.5
162.03215	1.8
165.29060	0.5
177.05603	1.6
179.03502	1.0
181.08672	0.6
195.05151	5.4
195.06639	100.0
196.05421	0.7
196.07010	8.0
357.07886	0.7
357.12039	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29067	0.6
59.01386	9.2
61.36626	0.5
69.16728	0.6
71.01392	8.8
71.31072	1.0
71.31422	0.6
73.02962	2.2
75.00880	10.6
76.87251	0.6
83.01392	1.7
85.02955	4.3
87.00893	2.2
89.02459	1.7
93.03497	0.8
95.23260	0.7
99.00900	1.7
99.04524	1.2
101.02441	5.2
108.02184	3.3
109.02989	3.0
113.02470	4.3
123.04536	7.5
125.02456	1.5
129.01949	4.8
134.03856	0.7
135.04526	17.5
135.05531	1.2
136.05237	1.2
137.06071	1.7
141.01978	0.7
141.94594	0.6
143.03442	0.7
149.06087	2.7
150.06876	100.0
151.04070	0.8
151.07379	7.5
152.01170	1.7
153.01944	2.2
153.05597	7.7
159.03056	3.4
160.79045	0.5
161.02448	0.8
161.04550	6.9
165.05579	1.8
175.07631	1.2
177.04056	2.5
178.06421	1.6
179.03500	1.9
184.79935	0.6
193.08733	4.9
195.05106	36.2
195.06573	2.4
196.05519	1.1
276.42474	0.5
313.12650	0.7
357.08139	4.1
357.12003	10.5
358.12354	0.8
381.60837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76889	0.5
59.01385	2.1
70.29133	1.3
71.01379	1.2
75.00880	1.0
77.53407	0.4
87.00877	0.6
87.11956	0.4
89.02443	0.6
93.03505	0.4
95.05034	1.0
115.00369	0.8
122.03735	0.9
123.04536	77.8
124.04865	3.3
129.01944	0.6
135.04530	1.7
140.66994	0.4
151.04022	1.0
153.05588	100.0
154.05930	5.0
162.03244	1.4
177.05609	1.6
195.05086	2.7
195.06660	3.6
200.12567	0.4
251.34851	0.5
357.11957	1.4
359.33002	0.4
372.90729	0.4
375.39120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92728	0.5
57.03447	0.6
59.01388	6.8
63.27496	0.4
63.69139	0.5
69.03474	0.6
69.46467	3.9
71.01371	3.2
72.99326	1.1
73.02950	1.2
74.02492	1.8
75.00886	8.7
82.53634	0.5
83.01337	0.5
85.02956	1.4
87.00893	1.5
89.02465	1.2
95.05023	0.6
98.02494	1.5
99.00893	0.8
101.02450	1.1
111.00895	0.7
121.02943	0.9
122.03769	0.8
123.04536	79.8
124.04848	2.8
129.01952	2.9
133.03012	0.6
134.03821	0.6
135.04552	6.6
137.02487	0.6
139.00360	0.5
151.00383	0.5
151.04004	1.0
152.01166	0.8
153.02141	2.4
153.05588	100.0
154.05936	6.1
155.32140	0.5
156.89548	0.5
159.02972	1.8
159.05789	0.6
161.02386	1.3
163.00374	0.6
167.03596	0.7
177.04001	1.7
177.05585	1.3
178.99791	0.7
179.03502	1.9
180.00665	0.9
181.01410	0.5
182.08223	0.5
195.03270	0.9
195.05104	22.8
195.06644	2.5
196.05568	0.9
225.08865	0.8
255.29541	0.6
269.11401	1.9
297.09918	0.6
315.10861	0.7
339.07101	0.9
357.08194	3.1
357.12000	2.0
358.16071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45118	1.0
62.35757	1.1
65.00334	7.3
69.63115	6.2
77.60374	0.9
89.00328	2.1
91.01904	1.6
95.01374	1.7
97.02963	5.6
98.19900	1.6
108.02199	1.6
108.97496	1.1
109.02953	2.5
111.10690	1.0
121.02930	2.1
122.45778	1.1
124.01646	2.2
133.02963	2.4
137.02417	1.5
138.03217	5.6
139.04007	3.9
149.99600	2.4
161.02452	33.5
162.02840	1.6
165.01936	29.6
166.02737	11.7
187.00337	5.8
204.04185	1.2
214.02431	1.6
226.02635	1.1
240.04289	3.0
242.02170	2.5
255.06618	1.9
256.03790	3.5
257.04590	5.7
265.05188	1.5
266.02145	8.1
267.02869	1.8
268.03717	2.4
271.06195	2.0
281.04559	10.2
282.04932	1.3
283.06088	2.0
284.03342	4.4
285.03870	1.7
294.01883	4.5
294.12836	1.0
295.02350	1.5
299.05701	4.9
309.04044	29.2
310.04480	3.3
312.02756	3.9
315.08847	1.2
327.05099	100.0
328.05460	11.1
342.03168	1.2
342.07449	53.7
343.07785	6.3
357.09799	91.6
358.10123	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	357.0983
Annotation	2-(3,4-dimethoxyphenyl)-7-hydroxy-5,6-dimethoxychromen-4-one
Peak:m/z	Relative Intensity
55.11332	0.7
57.03455	1.5
58.59704	0.6
59.01370	1.9
69.48140	2.9
69.48541	1.1
72.79046	0.5
73.83154	0.6
80.02686	1.8
85.74484	0.6
90.12675	0.7
91.01890	0.9
93.03453	0.6
101.48944	0.6
105.56786	0.6
108.02182	39.9
109.02486	0.8
121.02962	4.6
123.00925	1.5
123.04534	100.0
124.04842	3.7
133.03017	1.3
136.01686	0.8
138.03214	1.9
147.00925	1.2
147.04564	0.7
148.01665	1.4
149.02477	4.0
151.03992	1.5
161.02499	0.8
162.03194	1.6
167.73914	0.6
176.01170	3.5
177.01973	3.7
177.05589	1.3
191.03554	3.2
192.04300	2.5
195.05118	0.8
196.05251	1.3
198.03279	1.4
204.00688	1.7
205.05070	0.8
207.06709	0.9
208.54417	0.6
211.04208	0.9
212.04799	0.7
219.02914	1.1
224.04875	1.1
227.10683	0.9
231.25557	0.6
239.03519	1.1
239.10930	1.1
240.04306	6.7
241.04938	0.8
253.01440	2.1
253.12309	0.7
255.02896	1.4
255.06627	5.6
265.12299	0.9
267.03012	1.5
268.03818	4.0
269.04599	1.6
271.02524	1.1
277.12329	1.3
283.06146	25.6
284.03528	1.6
284.06616	2.9
297.04150	3.0
298.04980	0.7
298.08429	12.6
299.02426	0.9
299.05585	2.4
299.08939	2.2
313.03503	1.1
313.07379	1.1
313.10730	3.6
313.17117	0.8
313.27521	1.0
321.11371	1.3
327.01465	2.0
327.05136	2.8
339.12378	6.0
340.12671	1.2
342.03821	1.2
342.07541	1.6
357.06082	7.0
357.09839	9.0
357.13535	7.9
357.22327	0.9
357.26492	13.5
358.06378	1.5
358.10321	1.3
358.14151	1.1
358.26791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82351	0.5
57.03440	1.6
59.01382	7.9
69.03419	0.5
70.03810	2.1
70.04191	0.9
70.47456	0.4
71.01384	5.3
72.99309	1.5
73.02898	0.5
74.02464	1.1
75.00877	30.7
83.01428	0.7
85.02966	5.1
87.00880	3.9
89.02473	3.1
98.02466	0.7
99.00864	3.5
101.02462	1.3
107.22593	0.5
108.04555	1.4
109.04918	0.6
111.00890	1.0
123.04541	7.1
124.57822	0.5
129.01961	13.2
130.02299	0.8
131.03522	0.5
131.74094	0.5
133.02945	1.7
134.03731	1.5
135.04536	14.1
141.01918	1.8
149.06104	0.6
150.05562	1.0
151.05914	0.9
153.01941	0.8
153.05588	8.7
159.03004	6.5
160.03123	0.5
161.02455	5.5
164.64558	0.5
165.90939	0.5
173.14299	0.5
177.04082	7.1
177.05556	1.2
179.03508	7.1
188.60936	0.5
195.05109	100.0
196.05444	4.5
197.07658	0.5
221.04469	0.6
227.16173	0.5
245.41946	0.5
269.11386	0.8
281.06635	0.7
339.07269	4.6
357.08261	12.5
357.11673	0.5
358.08502	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	356.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82901	21.8
56.58046	19.3
69.67068	33.1
69.67483	100.0
135.04543	51.5
136.04810	27.1
226.09872	35.0
227.10434	41.0
242.12733	53.3
356.15909	91.0
372.86252	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	355.2857
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
53.71180	0.6
57.03440	1.1
59.01351	0.8
61.98839	5.3
66.22316	0.5
68.84277	0.5
69.03483	0.6
69.89585	0.6
83.05041	0.6
107.05018	2.2
134.15907	0.8
135.04536	6.0
141.45161	0.6
156.25204	0.5
219.06644	2.3
225.09225	1.3
225.22452	0.8
226.10037	6.3
241.12314	7.6
242.12688	1.2
293.28534	69.0
294.28854	8.4
311.16550	1.5
311.29733	1.6
337.27487	18.7
338.27823	2.3
355.15576	12.6
355.19357	2.0
355.28552	100.0
356.15790	1.6
356.20532	1.1
356.28894	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59344	5.9
59.01375	21.0
60.13272	6.4
61.98836	100.0
69.52834	19.5
69.53246	21.5
71.01389	6.4
73.02962	22.0
73.10357	4.9
75.88628	5.7
89.04135	6.5
98.19947	11.7
116.82631	6.0
121.02983	24.9
127.36865	5.9
128.29134	5.9
208.10519	10.0
238.09688	6.3
273.13623	6.1
293.60449	6.9
294.15906	8.6
298.04770	7.1
310.15265	7.0
312.13651	7.2
312.16766	33.5
313.06863	6.1
356.16116	28.4
356.19992	11.6
356.25031	6.3
357.06064	17.1
357.13281	8.3
357.17194	10.2
357.26373	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2282
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
57.62339	0.9
59.01376	3.1
71.55193	1.4
72.58675	1.0
85.02943	1.4
89.02487	1.3
97.69032	0.8
107.05025	3.8
109.02975	1.5
111.00888	1.4
112.98868	0.8
122.03757	10.6
127.07676	1.5
135.04550	30.9
136.01677	2.1
136.04897	1.4
147.08159	2.4
149.06114	1.7
149.09737	6.5
151.07683	2.8
154.02734	2.0
155.10800	1.1
161.09738	9.2
163.07675	4.0
163.11302	56.4
164.08446	15.2
164.11644	3.2
165.09225	9.2
175.44983	0.8
177.09224	68.4
178.09998	23.8
179.10789	79.8
180.11093	6.0
183.10201	2.5
187.11281	1.7
191.10794	13.8
193.08723	11.3
219.06631	4.3
220.07024	1.2
225.09126	1.5
226.09981	6.5
241.12389	8.3
265.12274	1.8
280.14624	2.8
293.15488	1.5
295.46698	1.2
297.15082	1.4
298.15762	58.0
299.16083	6.7
307.16895	1.4
309.14862	1.2
309.22256	1.3
311.16498	3.8
337.18170	1.1
337.21756	46.1
338.22083	7.5
340.20441	81.5
341.17349	1.3
341.20810	12.5
355.16226	14.0
355.22824	100.0
356.16055	1.8
356.19330	1.4
356.23187	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30084	0.6
67.84036	0.5
70.71751	1.2
70.72122	1.0
97.86008	0.6
98.19967	0.7
106.04258	4.9
107.05076	3.6
108.02210	1.5
117.13566	0.5
120.02139	0.6
121.02969	1.5
122.03693	0.7
134.03757	3.0
135.04539	23.0
136.05009	0.8
137.02444	0.9
137.06090	1.2
147.04514	2.0
149.02438	3.7
149.06087	17.5
150.06422	0.8
151.04027	3.4
153.01955	0.8
161.02385	1.6
162.06860	0.7
165.05722	1.0
167.03358	0.7
177.05539	1.1
190.09993	4.4
193.08766	0.9
195.03065	0.7
199.19167	0.5
205.08784	1.7
205.12347	50.3
206.12584	4.1
222.08998	3.0
226.10008	1.0
241.08705	9.8
241.12370	0.9
242.08992	1.1
253.08783	3.2
256.10846	0.7
286.08389	0.7
297.07858	0.7
311.16544	33.5
312.16870	4.9
355.15527	100.0
356.15839	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97878	0.9
57.03436	1.7
59.01377	3.5
70.66293	1.3
70.66634	2.0
71.01377	1.1
71.05019	6.8
89.02451	1.4
93.03444	1.5
94.35616	0.9
95.01391	3.4
97.02966	1.5
97.13743	0.9
101.02441	1.2
106.43122	1.0
109.02947	1.6
113.37578	0.9
119.05022	3.0
121.02957	2.4
123.00909	6.1
124.01707	1.6
133.02983	1.4
134.03766	2.2
135.04543	4.0
136.01689	2.1
137.02467	8.4
147.04509	4.1
148.01707	0.9
149.06076	2.2
151.03883	1.2
159.04504	1.0
161.02415	1.8
161.06110	1.7
165.01945	4.4
165.05576	0.9
171.08212	1.0
175.07640	1.9
177.05664	1.3
179.03462	1.8
187.07603	3.7
207.06708	3.3
207.10263	41.4
208.07550	1.4
208.10585	2.6
210.06763	1.4
211.03975	1.1
215.10780	1.4
223.11383	1.1
225.09169	3.3
226.09962	2.3
227.10777	2.3
233.11809	4.3
235.02475	1.6
235.07721	1.1
237.09213	42.5
238.09875	12.4
239.03464	6.0
239.10638	3.0
241.12369	5.5
251.09343	1.7
252.07719	1.1
253.12357	16.3
254.05841	3.3
254.12631	1.4
267.02924	1.7
267.19873	1.3
277.12335	1.6
278.13098	4.0
279.13873	3.5
281.01059	1.7
282.05334	15.6
283.05685	2.6
291.14041	1.2
293.15482	32.8
294.15930	6.7
295.13483	3.5
296.03531	1.1
296.13882	1.5
297.07669	16.1
298.08136	1.9
309.14960	25.5
310.15408	4.1
311.16531	100.0
312.16870	15.6
325.14453	10.1
329.66852	1.0
337.10672	1.5
355.03955	1.4
355.11853	4.4
355.15558	57.4
355.24780	5.0
356.12115	1.8
356.15909	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	355.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65956	0.7
53.80905	0.7
54.24360	0.7
54.76134	0.7
56.13923	0.8
59.01377	3.5
60.38258	1.0
65.00305	0.7
68.99833	1.2
69.47475	3.1
69.47903	2.5
71.01394	1.9
82.90372	0.7
83.05038	3.8
89.02451	0.8
91.01917	5.2
92.53530	0.7
93.03465	1.2
101.02422	0.8
107.05035	7.2
108.02185	0.7
109.06615	4.3
117.34389	0.8
119.01414	3.9
119.05047	1.4
120.05367	0.8
121.06582	2.6
122.03714	0.8
123.00866	1.2
135.00931	3.8
135.04544	19.5
139.07733	1.1
143.05011	2.1
147.04555	1.3
149.02469	2.1
153.01927	1.0
157.06598	2.0
159.08148	3.5
161.02441	2.1
162.99045	1.1
163.00391	17.3
164.00801	1.2
164.07196	0.9
169.06575	0.9
171.08163	2.1
172.08931	0.9
173.02446	1.5
173.06067	1.0
187.07678	2.4
189.01920	1.5
189.09181	1.1
190.04950	1.0
190.10025	1.0
195.08214	0.9
202.10017	1.6
213.09235	4.1
215.06799	0.9
225.09236	11.9
226.09973	7.3
237.09242	3.3
237.12878	3.1
238.09886	1.2
241.12448	0.8
249.12920	2.3
263.14420	11.3
264.14648	1.5
267.13943	6.3
275.14410	1.7
281.15518	19.7
282.15823	2.4
293.15521	9.9
294.15726	1.2
297.04105	2.8
307.13480	6.5
308.13849	1.0
311.16553	8.6
312.06393	0.9
312.16962	1.4
325.03665	3.7
327.08673	1.6
337.14474	73.1
338.14874	10.8
339.04971	1.6
340.05917	4.5
355.08633	26.8
355.15540	100.0
355.24817	12.7
356.08450	3.1
356.15811	13.6
356.25415	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	355.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93727	0.7
70.85069	1.4
78.74631	0.9
81.39937	1.0
100.49248	0.8
107.05040	2.2
122.03751	1.8
122.48814	0.8
134.03761	2.4
135.04518	5.2
149.06075	1.1
150.03246	5.2
161.02446	1.6
162.03262	4.8
177.09221	3.0
185.56877	0.8
187.07654	2.4
205.08701	14.7
206.08957	0.9
213.09158	2.2
225.09229	28.0
226.09938	10.5
241.08818	4.0
241.12367	2.0
249.07655	2.2
250.66629	0.8
253.08713	6.8
258.69055	0.9
278.13217	1.2
279.13950	1.1
293.15622	1.3
293.58530	0.9
296.14200	32.7
296.17560	1.8
297.14560	3.5
311.16565	28.6
312.16989	3.4
340.13190	5.1
341.13544	1.4
355.15533	100.0
356.15845	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	355.1553
Annotation	Myricanone
Peak:m/z	Relative Intensity
69.75024	2.2
106.66285	0.4
107.05046	14.5
108.05366	0.4
110.26427	0.4
122.03731	0.6
135.04541	37.0
136.04895	1.6
149.02518	0.5
149.06134	0.5
157.13156	0.4
164.84850	0.4
169.54890	0.4
179.51027	0.4
181.10249	0.5
225.07082	0.4
225.09241	7.0
226.09999	27.8
227.10349	3.2
239.10725	0.8
241.12361	38.3
242.12675	3.6
269.08276	1.4
270.09195	0.5
283.09906	0.6
293.15546	2.2
311.16440	2.3
355.15524	100.0
356.15884	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83051	1.7
56.28266	1.6
70.72838	4.8
78.05510	1.8
84.57748	1.9
93.03513	1.9
107.05042	15.2
109.02944	1.7
114.79250	1.6
122.14054	1.7
126.74265	1.6
135.04541	42.3
136.01680	4.4
151.03992	8.3
180.00659	3.4
183.08124	1.8
195.03055	21.9
225.09245	7.5
226.06570	9.0
226.10008	50.5
227.07140	9.2
227.10364	5.9
229.49121	1.6
237.09262	2.1
241.08727	12.3
241.12358	50.5
242.12762	4.7
253.05055	4.0
253.12370	2.3
271.06183	8.4
279.14035	2.4
286.08514	31.0
287.08743	3.0
293.15298	2.8
311.16608	21.2
312.16846	1.9
332.10123	1.6
355.15540	100.0
356.15726	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	355.1553
Annotation	Juglanin A
Peak:m/z	Relative Intensity
53.97742	0.3
58.31863	0.3
63.08982	0.3
64.70483	0.3
68.64342	0.3
69.51143	1.8
69.51554	0.8
77.09680	0.3
98.38154	0.3
107.05026	1.0
135.04559	2.3
136.47331	0.4
147.04662	0.4
149.06107	0.8
161.02483	0.8
175.54903	0.3
182.38060	0.5
187.07652	3.2
193.07111	0.3
202.10275	0.3
207.10231	0.6
225.09227	8.6
226.09961	2.8
231.86421	0.3
237.09239	7.6
238.09610	1.0
239.10712	0.4
241.12344	2.1
252.07927	0.9
253.12462	0.7
261.12933	0.5
263.10788	0.5
277.12427	2.6
278.13156	6.8
279.13593	1.4
281.15491	26.8
282.15793	3.4
293.15503	31.2
294.15842	4.5
309.15146	0.7
311.16534	10.7
312.16943	1.7
355.15540	100.0
356.15881	14.5
356.20306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00070	0.6
65.00345	7.2
70.28407	0.6
70.76936	1.5
70.77307	1.3
70.99392	0.7
71.05025	4.5
81.03462	8.8
89.95756	0.7
102.70818	0.7
104.10535	0.8
106.03450	0.8
107.05035	1.6
108.02158	1.5
109.02945	2.3
109.06624	1.1
123.04510	0.7
124.01627	0.8
124.10854	0.7
133.00107	0.7
133.06612	8.0
134.03778	2.7
135.04538	62.8
136.04874	3.2
146.03679	0.8
147.04552	1.9
149.02516	0.8
149.06114	1.4
149.99631	1.4
151.07637	2.1
161.02458	3.7
162.06874	1.9
164.60545	0.7
175.07709	4.4
176.01192	1.0
183.01248	1.1
187.07686	1.8
193.08713	1.8
203.07137	1.0
209.13293	1.3
219.06638	42.6
220.06990	3.0
225.09183	2.7
226.10040	1.9
227.10661	0.7
231.06691	1.4
237.09230	30.6
238.09908	7.9
239.10648	2.3
239.54259	0.7
241.12383	1.6
252.08098	0.8
253.12355	34.5
254.12724	4.4
277.12372	1.4
278.13217	4.8
293.15503	25.6
294.15894	2.9
295.13522	1.4
311.16537	23.6
312.16870	3.2
313.53741	0.7
355.11859	7.8
355.15558	100.0
356.12219	1.2
356.15952	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78577	0.5
52.29830	0.5
57.03445	0.8
59.01366	1.0
59.88020	0.5
70.92155	1.4
71.01378	0.6
71.05028	4.8
71.96085	0.5
81.73316	0.6
82.44625	0.5
107.05017	0.6
109.02927	0.9
119.05022	1.3
121.02975	1.7
133.10201	0.6
134.03761	1.5
135.04552	1.6
146.03668	0.8
147.04553	4.1
149.02425	1.3
161.02443	5.9
167.94669	0.5
177.09212	15.3
178.09506	1.0
187.07584	2.9
203.07144	0.7
204.07887	0.6
207.10306	1.3
217.62640	0.6
225.09172	2.0
226.09988	2.4
228.99004	0.6
237.05777	2.8
237.09213	45.8
238.09891	16.9
239.10681	3.0
241.12320	2.9
249.05598	1.0
252.07939	1.1
253.12355	14.2
254.12704	1.4
269.04529	1.0
277.12396	1.6
278.13052	3.4
279.13943	1.5
281.08206	0.7
281.11935	1.2
281.15466	0.5
292.10986	1.3
293.15500	26.3
294.15796	3.2
295.13266	2.8
297.04089	2.0
307.13486	2.1
309.14859	0.8
311.16534	29.4
312.06308	0.8
312.16895	3.4
325.14459	6.8
326.14905	0.9
327.08893	0.7
355.15515	100.0
356.11673	0.9
356.15906	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
64.38372	0.5
67.01899	0.8
69.94366	2.2
71.04694	0.6
71.05022	6.7
72.86254	0.6
75.11874	0.5
93.03444	2.0
95.01404	2.8
103.22253	0.6
104.41026	0.6
107.05042	1.0
108.02197	0.6
109.02940	1.5
110.00108	1.2
119.05047	2.6
121.02955	1.8
123.00904	7.4
124.01678	1.0
127.30287	0.6
133.02965	1.0
134.03728	2.0
135.04495	2.4
136.01669	2.7
137.02475	6.8
138.02823	0.5
146.00247	0.5
146.03755	0.9
147.04541	4.7
149.06105	2.5
151.03983	0.7
159.04587	1.0
161.02480	2.6
161.06087	1.0
163.07635	1.1
165.01955	4.5
165.05580	0.6
171.08177	0.7
175.07631	2.4
177.05652	0.7
179.03510	2.7
181.28770	0.6
187.07607	3.0
189.09206	1.4
190.00456	0.5
191.30788	0.6
192.07886	2.1
195.06656	0.7
207.06627	2.4
207.10281	42.1
208.07413	0.9
208.10597	3.1
210.06792	1.3
215.10675	1.2
217.08717	0.9
221.09720	0.6
223.07663	1.2
223.11371	0.6
225.09264	2.8
226.09933	2.7
227.10811	0.8
233.11804	4.4
235.07785	0.9
237.09239	44.3
238.09921	12.8
239.10678	3.9
240.11002	0.9
241.10481	0.5
241.12424	5.0
251.09232	0.9
252.07869	1.4
253.12363	16.2
254.12752	1.6
256.07462	0.8
263.10751	0.7
263.14246	0.6
277.12207	1.6
278.13037	5.5
279.13852	3.4
280.14258	0.8
281.11829	1.6
291.13876	1.3
293.15530	32.0
294.15860	4.3
295.13364	3.8
296.14035	1.5
309.14990	26.8
310.15305	3.6
311.16556	100.0
312.16910	12.3
325.14462	10.5
326.14670	1.5
355.15536	52.6
356.15894	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	355.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89136	0.5
57.03445	1.0
67.01887	0.6
68.97404	0.5
69.52100	1.1
69.52507	2.0
71.04655	0.5
71.05027	9.3
79.01906	0.8
95.01398	3.2
100.30906	0.5
107.05003	1.8
108.02129	0.5
109.02915	0.6
119.05037	2.5
121.02955	1.3
123.00898	7.1
124.01679	7.5
134.03716	0.9
134.11377	0.5
135.04549	10.2
136.01654	1.3
137.02477	2.9
146.03708	1.0
147.04543	4.6
148.01675	1.2
148.05142	0.5
149.06055	1.1
150.03195	0.6
151.03958	1.4
152.01184	1.1
153.05536	0.4
159.04524	1.3
160.05309	0.6
161.02466	2.5
161.06029	0.7
163.07629	1.2
165.01884	1.3
171.08105	0.7
174.06813	0.6
175.07619	1.0
179.03543	1.0
183.66479	0.6
187.07660	14.8
188.08023	1.6
189.09225	6.7
192.07936	1.7
197.09784	0.6
207.06842	1.0
207.10265	34.0
208.07457	0.9
208.10648	2.6
210.06804	0.6
212.08397	0.5
215.10750	2.1
219.10123	0.5
223.07658	1.2
223.09651	0.7
224.08412	1.3
225.09229	5.5
226.09981	8.4
227.10606	1.5
233.11801	5.4
235.07623	1.0
237.09227	36.4
238.09885	11.3
239.10747	6.8
240.11127	0.8
241.12358	16.9
242.12621	1.4
251.09235	1.4
252.07858	5.1
253.08331	0.9
253.12355	11.2
254.12723	1.1
256.07391	0.6
261.12979	0.9
263.14374	0.9
275.14615	0.5
276.11542	0.8
277.12347	4.3
278.13065	7.2
279.13773	2.6
281.11768	1.0
291.13977	3.1
293.15506	33.2
294.15823	4.5
295.10370	0.6
295.13425	3.6
296.14163	0.9
309.14996	22.4
310.15280	3.2
311.16541	100.0
312.16870	14.4
325.14423	7.4
326.14734	0.8
355.15530	54.8
356.15845	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	355.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61089	3.5
69.61504	3.5
71.05032	9.3
72.79524	1.1
95.01402	2.6
107.05038	3.0
123.00897	5.4
124.01682	6.7
124.95274	1.1
134.03751	1.7
135.04544	9.6
136.01572	1.5
137.02480	2.3
146.03732	1.7
147.04515	2.4
149.08795	1.2
152.01257	1.2
161.02490	1.7
163.07544	1.5
187.07709	11.3
189.09148	5.7
192.07953	1.5
207.10275	35.9
207.12225	2.3
208.10588	1.5
210.80101	1.2
215.10780	1.4
224.08669	1.3
225.09177	3.7
226.10045	8.5
233.11874	3.8
237.09264	30.1
238.09926	10.8
239.10809	5.8
241.12361	17.3
252.07922	6.1
253.12361	11.2
254.12787	1.4
277.12442	3.3
278.13046	6.5
279.13937	1.6
284.66644	1.3
291.13953	2.1
293.15509	33.4
294.15878	4.7
295.13556	2.3
296.14157	1.3
309.14957	21.7
310.15350	3.8
311.16541	100.0
312.16925	15.9
325.14468	6.9
355.15549	54.3
356.15720	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	355.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77715	0.8
59.01382	0.9
71.02010	1.5
76.99831	0.9
77.22208	0.7
83.61316	0.9
92.48827	0.8
93.03468	2.3
95.01418	1.9
100.44528	0.8
100.68437	0.8
105.53724	0.8
107.05052	2.4
108.02167	2.3
109.03001	1.3
120.02154	1.6
121.02968	6.2
122.03770	5.9
123.00875	1.7
123.03780	0.8
123.04542	5.9
134.03770	1.1
135.04539	16.9
136.01646	3.9
137.02419	2.6
137.06107	3.8
138.03210	2.5
147.04549	2.6
149.02451	7.0
149.06097	4.5
150.03149	0.8
151.04019	16.3
152.04320	1.2
153.01962	3.9
154.02678	0.9
157.80865	0.8
166.02750	4.9
167.03502	4.0
168.04289	1.7
175.07663	1.5
175.68361	0.7
177.09175	2.6
179.03610	1.0
190.10036	7.5
192.07944	2.3
203.10815	1.3
204.07950	0.9
205.08687	5.3
205.12343	22.8
206.12651	1.5
219.10289	4.1
222.09023	5.5
223.07545	1.6
225.09084	0.9
226.10022	6.9
236.10651	0.9
237.11345	3.4
241.12390	6.0
242.12682	1.1
249.11302	11.2
250.11778	0.9
293.15491	2.5
296.14154	2.1
311.16522	1.8
337.14404	4.8
355.15521	100.0
356.15869	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	355.1551
Annotation	Deoxypseudopterolide
Peak:m/z	Relative Intensity
50.00711	1.7
55.32434	1.9
59.01367	4.3
69.89001	6.5
69.89414	2.9
83.01440	2.3
86.75352	1.8
96.95998	2.9
98.19997	3.4
98.95615	3.4
105.51976	1.8
107.05036	12.8
109.30962	2.1
123.25940	1.8
135.04553	44.8
136.04845	2.2
147.04539	3.4
161.02544	2.3
187.07585	3.3
193.50734	1.7
207.10333	8.8
225.09224	9.2
226.10008	51.7
227.10297	3.8
235.07962	2.1
237.09241	9.1
238.09885	3.6
238.53615	1.7
239.10721	2.4
241.12370	63.7
242.12708	6.3
253.12140	2.9
269.07980	2.8
278.13232	2.0
293.15497	12.0
296.13968	2.2
309.15045	5.8
311.16547	24.2
337.27652	5.4
355.15518	100.0
355.19589	7.7
355.28571	6.5
356.15997	14.9
356.19800	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	355.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.8
57.03456	13.5
58.00598	2.6
59.01384	95.4
69.03454	3.2
71.01390	82.3
71.01787	4.4
71.53596	3.2
71.53985	2.7
72.99323	7.5
73.02952	16.0
75.00877	4.7
81.03449	2.8
83.01402	10.3
83.41581	1.8
85.02956	100.0
86.03307	2.1
87.00896	11.2
89.02453	61.5
92.35632	2.1
95.01411	6.3
95.05032	2.1
97.02953	5.4
99.00894	7.7
101.02451	57.8
105.03449	3.1
108.04655	1.7
111.00906	2.6
111.04486	1.9
113.02454	35.2
119.03510	23.3
119.04991	2.0
125.02457	6.0
129.01939	9.6
131.03496	5.6
133.02968	13.3
134.03748	7.7
141.01927	2.7
143.03517	7.6
147.03009	8.7
149.04601	3.6
149.06102	3.5
159.03061	3.2
161.04581	35.2
162.04907	2.3
163.03995	4.0
163.06114	7.6
175.02499	2.5
175.06190	3.8
177.01945	4.6
177.04031	3.0
179.05618	15.9
191.01956	17.7
193.05186	6.3
193.07166	66.0
194.07413	2.3
195.05283	1.9
209.03029	32.3
265.05377	2.4
355.12500	61.0
356.12604	5.2
374.07706	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	355.1038
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.18638	0.5
57.03447	0.8
57.11125	0.5
59.01392	2.9
59.56124	0.5
61.98835	1.5
62.61007	0.5
69.87715	2.5
71.01401	1.9
72.99302	0.7
73.02994	1.0
77.04006	0.7
79.61755	0.5
85.02958	1.6
87.00211	0.6
87.00872	0.9
89.02460	0.8
93.03477	1.6
95.05038	0.7
100.08124	0.6
101.02473	0.8
102.64608	0.6
105.03465	2.0
107.05132	0.5
109.02941	0.7
121.02961	1.0
123.04530	1.7
129.01950	1.6
133.02980	12.1
134.03760	100.0
135.04079	5.2
137.02478	4.8
139.04063	1.2
141.74188	0.5
149.02463	2.2
149.06097	28.6
150.06438	1.7
151.04025	17.7
152.04372	1.3
159.04477	0.6
161.02519	0.6
177.01949	3.9
177.04022	4.0
178.02731	18.5
178.04283	1.1
179.03131	1.6
193.05077	98.3
194.05411	7.6
203.03563	0.6
209.03143	0.7
235.06239	0.7
295.08096	0.7
355.06589	1.5
355.10376	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	355.1246
Annotation	galactopinitol A
Peak:m/z	Relative Intensity
55.01892	4.8
57.03456	13.5
58.00598	2.6
59.01384	95.4
69.03454	3.2
71.01390	82.3
71.01787	4.4
71.53596	3.2
71.53985	2.7
72.99323	7.5
73.02952	16.0
75.00877	4.7
81.03449	2.8
83.01402	10.3
83.41581	1.8
85.02956	100.0
86.03307	2.1
87.00896	11.2
89.02453	61.5
92.35632	2.1
95.01411	6.3
95.05032	2.1
97.02953	5.4
99.00894	7.7
101.02451	57.8
105.03449	3.1
108.04655	1.7
111.00906	2.6
111.04486	1.9
113.02454	35.2
119.03510	23.3
119.04991	2.0
125.02457	6.0
129.01939	9.6
131.03496	5.6
133.02968	13.3
134.03748	7.7
141.01927	2.7
143.03517	7.6
147.03009	8.7
149.04601	3.6
149.06102	3.5
159.03061	3.2
161.04581	35.2
162.04907	2.3
163.03995	4.0
163.06114	7.6
175.02499	2.5
175.06190	3.8
177.01945	4.6
177.04031	3.0
179.05618	15.9
191.01956	17.7
193.05186	6.3
193.07166	66.0
194.07413	2.3
195.05283	1.9
209.03029	32.3
265.05377	2.4
355.12500	61.0
356.12604	5.2
374.07706	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	355.1037
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
51.75204	0.7
59.01377	4.0
63.22684	0.6
67.09064	0.7
67.78619	0.8
69.69252	2.3
69.69667	1.6
71.01388	2.7
85.02951	1.1
89.02459	1.6
101.02416	0.9
106.04240	0.8
113.02430	1.3
121.02962	1.8
132.02190	5.2
133.03008	4.4
134.03757	68.3
135.04063	3.4
137.02478	7.7
139.04001	3.1
147.04596	0.8
149.06094	18.0
150.03242	1.2
150.06429	1.1
151.04019	4.1
160.01677	24.2
161.02071	0.8
163.04054	2.3
175.04019	37.6
176.04391	2.8
178.02728	33.9
178.04298	1.6
179.03078	1.7
191.03516	2.9
193.05067	100.0
194.05405	7.4
206.05840	2.4
217.05002	1.8
221.08276	2.7
235.06096	1.5
265.07077	0.8
295.08160	1.0
309.73877	0.8
345.45233	0.9
355.10291	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	355.1038
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
56.28096	0.5
57.01833	0.6
59.01387	11.3
59.05999	0.6
69.70074	2.7
71.01391	5.7
73.02940	1.1
73.11491	0.6
75.00874	0.8
76.02812	0.6
80.04987	0.5
83.91330	0.6
85.02950	1.6
87.00902	1.1
89.02463	4.2
93.03494	0.6
98.20005	1.2
99.00895	0.6
101.02456	2.9
109.02950	0.7
113.02473	1.7
119.03533	0.8
119.05051	2.0
120.65507	0.5
127.32807	0.6
132.02187	13.6
133.02991	3.9
134.03766	8.1
147.04520	1.0
149.02452	0.6
149.06113	1.9
150.06833	1.1
151.04030	11.0
151.07666	0.8
152.04362	0.7
160.01675	67.4
161.02023	3.9
161.63101	0.6
163.04027	4.0
174.03152	0.8
175.04019	100.0
176.04375	6.0
177.01962	1.7
177.04074	1.4
191.03532	5.8
191.07149	2.2
193.05074	15.7
194.05457	1.8
202.02776	0.9
206.05890	4.3
209.06667	2.2
217.05049	4.2
221.08173	5.4
222.79448	0.6
235.06169	3.3
265.07239	1.4
265.67108	0.6
267.08701	0.8
295.08115	1.1
298.02701	0.6
336.15005	0.6
355.10373	7.0
356.10483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03442	1.4
57.20331	0.5
59.01384	9.7
69.03468	0.8
69.21738	2.0
69.22157	3.4
71.01389	7.4
72.99313	1.6
73.02945	0.5
75.00883	4.2
77.03954	1.4
83.01404	0.9
84.69314	0.5
85.02622	0.4
85.02968	4.3
87.00891	3.5
89.02444	2.9
89.03920	0.5
92.05074	2.1
93.03481	1.2
95.05023	1.7
97.03030	0.9
99.00876	2.8
101.02454	2.7
105.03473	6.9
109.02982	4.7
111.00871	0.8
113.02469	1.4
119.03542	0.9
119.05067	1.1
121.03009	1.5
122.03757	0.8
123.00873	0.8
123.04534	6.6
124.01665	0.7
124.04891	0.6
125.55614	0.5
129.01950	4.2
132.02194	4.6
133.02971	35.1
133.95570	0.7
134.03789	9.1
135.04486	0.6
137.02484	0.6
147.04536	1.4
148.05367	0.7
149.02473	5.2
149.06070	3.9
150.03215	3.2
150.05661	1.3
150.06839	0.6
151.04021	100.0
152.04353	4.0
159.02979	1.0
160.01680	19.0
161.02083	1.3
163.04012	1.5
163.07697	0.6
175.04013	25.8
176.04642	3.2
177.01962	14.9
177.04056	24.4
177.05399	1.0
178.02679	2.3
178.04312	0.7
179.05490	0.5
189.05559	0.8
191.01947	0.8
191.03555	0.7
191.07118	5.0
193.05069	12.9
193.70609	0.5
194.02217	0.6
194.05330	0.6
195.02983	1.4
195.05161	0.9
200.19060	0.6
207.06662	0.9
209.06714	1.6
217.05096	2.4
220.03909	0.9
223.09767	0.9
235.06158	7.5
236.06538	0.7
241.09995	0.5
253.65182	0.6
265.07184	3.3
279.05182	1.7
295.08270	7.9
296.08337	0.7
305.27350	0.7
336.90927	0.7
338.41296	0.7
355.06699	5.9
355.10458	4.2
356.06348	0.6
356.10312	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	355.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03491	7.8
59.01115	6.5
59.01386	100.0
70.36791	9.9
70.37189	11.0
71.01390	90.7
72.99317	7.4
73.02959	30.6
75.00870	13.1
83.01376	9.7
85.02949	54.8
87.00883	14.0
89.02449	77.4
95.01422	9.3
97.02997	8.1
99.00896	7.6
100.58840	7.0
101.02458	55.3
113.02477	32.6
119.03506	28.1
125.02459	10.7
131.03529	11.8
133.02985	11.4
142.56146	5.4
143.03519	11.1
144.06300	5.6
149.04575	42.9
149.79701	5.1
161.04539	36.4
163.06070	25.3
164.01140	16.4
177.01860	7.5
179.05623	20.4
185.31857	6.3
192.00601	10.6
193.07182	81.2
336.98203	5.2
353.86292	5.6
355.12469	80.8
356.12741	8.9
375.22513	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	355.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07067	4.5
59.01383	100.0
67.79554	5.2
69.65055	12.8
69.65468	17.9
71.01390	81.7
72.99319	6.1
73.02957	19.0
75.00888	19.8
83.01388	10.1
84.54936	5.1
85.02958	38.6
87.00892	11.2
89.02463	69.2
99.00890	12.9
101.02460	55.1
111.03069	5.1
113.02460	29.9
119.03507	23.9
125.02478	9.0
131.03522	6.2
133.02983	11.7
143.03511	6.1
149.04556	34.7
151.04021	6.2
161.04599	36.9
163.06126	22.6
164.01187	9.1
175.06090	5.5
179.05592	16.6
192.00626	14.4
193.07188	62.7
214.32745	5.2
355.07623	6.0
355.12549	69.7
356.12732	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	353.2125
Annotation	Guayulin B
Peak:m/z	Relative Intensity
69.34542	2.3
79.95757	0.3
91.96040	0.3
95.32762	0.3
96.96020	5.4
115.94276	0.3
137.24268	0.3
143.10234	0.3
147.08138	0.6
163.11302	96.7
164.11623	6.8
177.09225	74.0
178.09564	4.5
222.08983	0.7
251.10803	1.4
294.12753	0.3
320.07217	0.4
353.21222	100.0
354.21567	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	353.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14110	0.5
54.28455	0.5
59.01378	1.4
71.39420	0.9
79.95754	0.7
84.76102	0.5
96.96034	3.8
138.98869	0.6
145.57184	0.5
149.05946	0.5
175.04031	0.9
183.01225	1.1
197.02800	5.1
197.18994	1.1
198.03346	0.8
203.07091	1.1
221.19186	1.0
223.20657	2.9
225.09222	1.0
225.22247	48.7
226.22571	4.4
251.10721	7.0
253.21935	1.3
271.22797	100.0
272.23108	10.9
279.10272	1.5
294.12695	1.7
309.14999	2.2
335.63663	0.6
353.14258	7.0
353.21494	14.8
353.30753	1.3
354.14478	1.5
354.21829	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	355.0827
Annotation	Milldurone
Peak:m/z	Relative Intensity
59.01386	1.5
61.57744	0.7
67.33738	0.7
70.41573	1.7
77.88259	0.7
93.17612	0.7
96.79903	0.6
147.00838	0.9
152.07253	0.7
158.03703	0.9
170.03767	0.8
181.52040	0.7
182.03847	1.7
185.02629	0.9
185.21449	0.6
190.05074	1.0
198.03152	1.2
199.04114	1.0
207.10316	1.5
210.03220	5.1
213.01900	1.3
214.02731	2.5
225.05606	1.6
226.02805	3.0
229.05043	0.9
237.09383	0.7
238.02692	4.9
253.05093	1.5
254.02194	16.7
255.02617	1.6
266.02176	2.4
269.04572	44.3
270.04880	4.3
281.00891	0.8
281.04492	2.0
282.01978	3.5
282.04755	0.8
297.04056	100.0
298.04407	12.8
309.14844	0.9
310.01266	1.0
311.16525	3.1
312.06415	35.0
313.06720	4.8
324.02539	1.2
325.03555	4.9
327.08768	58.0
328.09113	6.9
339.05035	1.5
340.05841	5.6
355.08289	14.5
355.12039	1.3
355.15506	2.4
355.24866	2.5
356.08560	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	353.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
64.97034	0.5
70.09510	1.4
78.34908	0.5
79.95745	11.8
80.96513	0.9
81.83674	0.5
94.98098	1.5
95.95235	2.6
96.96021	87.1
97.95919	0.4
103.88377	0.4
122.97599	5.6
163.11284	0.7
177.09209	0.5
189.05556	0.6
203.07146	0.7
204.07899	0.6
225.09315	0.5
251.10799	1.5
294.12607	1.0
295.13486	1.2
306.53384	0.4
309.14938	0.7
326.46225	0.6
353.20062	100.0
354.14545	0.9
354.20380	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	353.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41719	0.4
59.01382	2.4
64.97054	0.7
68.85035	0.4
69.49081	3.1
79.95749	11.7
80.96536	1.4
94.98102	1.0
95.95245	3.6
96.96021	88.0
103.74849	0.4
122.97596	5.0
131.17070	0.4
158.57669	0.4
163.11296	2.8
174.03174	0.6
175.04048	1.0
177.09258	2.0
184.38786	0.4
197.02806	0.7
203.07225	1.7
225.09218	1.9
237.09254	0.8
239.10825	1.5
251.10825	10.5
252.11049	1.6
279.10260	2.0
281.15451	0.6
291.26959	1.6
294.12677	1.5
309.15009	3.5
309.18661	2.6
353.14194	6.1
353.20114	100.0
354.14041	0.7
354.20480	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1398
Annotation	cuevaene A
Peak:m/z	Relative Intensity
57.03442	3.9
57.76775	0.8
65.31029	0.7
66.35204	0.7
69.16955	6.9
70.01562	0.7
84.19638	0.7
86.59816	0.8
118.85662	0.7
123.43963	0.8
131.79242	0.8
146.03735	3.3
149.06032	0.9
161.02438	7.6
203.07149	1.9
225.09204	20.9
226.09456	1.6
237.09210	63.6
238.09583	6.0
239.10690	0.8
251.10706	1.9
265.12259	1.9
281.15485	38.1
282.15866	5.2
294.12607	6.5
295.12830	0.9
309.14993	29.7
310.15399	3.6
353.13959	100.0
354.14346	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	353.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94574	1.3
55.01884	1.6
57.03452	1.7
57.92625	1.4
59.01384	100.0
70.91673	2.7
71.01386	28.5
73.02950	13.8
77.19633	1.4
83.01396	4.2
84.00912	5.3
85.02951	12.6
86.75737	1.5
87.00896	3.8
89.02448	8.7
99.00878	2.6
101.02449	23.9
106.41414	1.6
108.25357	1.5
110.06117	9.5
112.04083	2.3
113.02458	11.3
119.94134	1.7
120.05672	5.7
123.03284	4.1
124.04044	2.8
125.02465	2.2
135.04524	7.4
136.07680	3.7
137.76299	1.6
138.05606	24.7
143.77132	1.7
148.05188	16.7
159.03056	2.9
159.04347	1.5
161.04570	10.8
162.06732	3.2
173.04491	2.9
179.03558	5.9
184.06165	5.3
186.24905	1.8
190.06273	1.9
191.05704	19.1
196.35602	1.6
205.07376	9.7
209.38354	1.7
221.10310	52.7
222.10703	2.9
230.80502	2.0
231.11449	5.3
233.06808	49.7
234.07220	3.7
251.11382	4.9
266.41437	1.4
276.73328	1.7
293.11771	2.2
349.36218	1.8
353.10941	49.5
353.14636	33.4
354.11240	3.9
354.14923	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	353.1397
Annotation	Alisiaquinol
Peak:m/z	Relative Intensity
57.03461	10.7
59.01381	2.0
60.89013	1.1
65.00329	2.2
70.18915	3.1
73.75514	0.9
92.64332	0.9
99.64764	1.1
107.01399	1.2
107.05038	1.0
108.02180	7.1
114.40842	0.9
117.03474	2.7
119.05084	1.4
121.02996	4.4
128.35965	1.0
130.04242	4.7
132.02168	1.6
133.02948	0.9
135.00914	8.1
136.01703	5.2
136.05327	6.8
145.02969	16.3
145.06641	1.1
146.03276	1.2
147.04527	19.8
148.01654	1.6
148.05069	1.7
151.03981	1.3
151.07620	1.3
157.06604	3.4
159.04463	1.3
161.02463	1.4
163.00394	5.4
163.07701	1.9
164.01117	1.3
166.06335	1.0
172.05269	1.5
173.06107	1.3
174.03264	0.9
175.04041	5.7
175.07635	2.5
179.03497	1.3
181.08659	1.0
183.08200	1.3
187.04047	1.1
187.07652	21.2
188.04738	2.0
188.07947	1.7
190.06305	2.5
191.03539	5.9
191.14571	1.0
198.06927	1.3
199.07703	5.9
201.05656	1.8
202.06354	1.5
203.07121	2.3
205.05048	1.1
205.08696	2.1
206.05823	2.5
213.09258	3.3
217.05078	3.8
218.50873	0.9
221.09743	12.6
235.07672	8.8
236.08441	11.5
237.09001	1.2
238.02786	0.9
249.09589	6.3
250.06325	2.2
251.10789	16.4
252.11099	2.0
259.11215	1.9
261.12866	12.0
262.13147	1.5
265.06134	1.4
265.08698	9.0
266.09155	1.4
268.07352	1.6
275.10785	20.6
276.11407	5.2
279.10526	1.2
290.09500	3.1
291.13928	100.0
292.14221	16.9
293.08325	1.2
293.11765	1.7
295.09702	3.1
295.12900	1.1
305.08395	2.2
305.11850	18.7
306.08990	2.2
306.12210	2.7
307.13559	2.2
308.10495	1.7
309.14902	8.0
321.11322	9.6
323.09238	4.4
323.12909	17.2
324.13364	2.8
335.12921	9.2
336.13159	1.1
338.11743	2.4
353.10281	3.2
353.13971	45.8
354.14246	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	353.1396
Annotation	Alisiaquinol
Peak:m/z	Relative Intensity
51.31490	0.3
58.90509	0.3
59.01381	0.8
63.00663	0.2
65.03959	0.6
71.54796	0.4
79.05547	2.6
83.01395	0.5
103.20848	0.3
105.07108	2.7
107.05033	4.1
109.02911	0.4
110.61240	0.3
121.02895	0.3
122.03767	4.5
123.04500	0.4
128.17635	0.3
135.04541	1.4
136.05309	0.6
157.06696	0.3
159.04552	1.0
160.05339	1.2
161.02457	0.9
161.06134	0.5
164.65343	0.3
171.04407	0.3
172.05376	0.3
173.06068	1.2
174.06763	0.6
175.07680	1.8
176.04752	0.3
185.06035	0.7
186.06810	0.8
186.68536	0.3
187.03972	0.8
187.07677	2.2
188.04868	1.7
189.05412	0.6
197.06044	0.7
199.07756	0.3
201.05588	1.3
201.09152	0.8
202.06371	2.1
203.07133	1.0
209.06096	0.4
211.07651	1.6
212.04820	0.4
212.08517	0.4
213.05562	0.6
213.09166	0.3
215.03499	0.9
217.08714	1.1
223.07684	0.7
223.11334	0.3
224.04755	0.4
225.05544	1.0
225.09196	0.5
227.07150	1.6
227.10722	0.5
230.05815	3.1
230.09402	0.3
231.06271	0.3
233.09721	0.4
237.05473	0.6
237.09384	0.5
238.06310	0.8
239.07137	4.6
239.10860	1.2
240.04211	1.6
240.07704	0.5
240.11464	0.4
241.04892	0.4
241.12407	0.5
242.05719	0.4
245.08224	1.6
249.05576	0.5
249.09167	0.7
250.09953	0.5
251.07275	0.4
251.10805	2.4
252.04247	0.6
252.07686	0.4
253.05023	0.4
253.08727	1.7
254.05881	0.5
255.06606	2.2
262.06357	1.0
263.07047	0.4
264.11642	0.4
265.05133	0.7
265.08551	0.3
265.12405	2.5
266.13034	1.2
267.06647	5.1
267.10257	2.8
268.07056	0.4
268.10959	0.7
272.03250	0.5
275.10840	0.3
276.07889	0.5
276.11230	0.3
277.08701	5.7
278.09152	1.0
279.06754	0.6
279.10217	0.8
280.07498	1.6
281.08240	0.5
281.11856	1.4
281.15363	0.6
282.12552	0.7
284.06815	0.5
291.10193	2.3
292.11014	7.6
293.08224	1.4
293.11722	2.2
294.09198	1.4
294.12491	1.3
295.09772	23.5
296.10156	2.8
305.08066	0.7
307.09894	0.5
307.13351	5.9
308.10583	1.9
308.13635	0.6
309.11328	13.1
310.12097	18.8
311.12567	2.2
319.09869	0.7
320.10519	2.2
323.12903	2.0
324.10022	1.1
325.14465	66.8
326.14807	9.1
335.12897	3.0
336.13153	0.4
338.11526	3.4
339.11938	0.4
342.11115	0.8
353.13962	100.0
354.14310	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	353.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
69.46932	1.4
69.47350	1.6
81.03461	0.8
105.03447	0.5
122.03732	0.6
134.03761	1.1
135.00894	0.5
135.04535	0.5
144.05814	0.9
146.03738	1.7
149.02464	1.5
150.03165	0.5
159.04485	0.7
159.08150	1.6
160.05295	2.0
160.13745	0.4
161.02461	2.3
162.03177	1.4
172.05305	0.7
174.03261	1.6
175.04024	9.4
175.07706	1.7
176.04333	0.9
183.01294	1.0
185.06081	0.9
186.06857	0.7
188.04797	3.1
201.05521	0.5
203.03502	1.2
203.07155	18.2
204.07484	1.5
220.03795	2.4
225.09224	17.0
226.09612	1.7
237.09242	3.4
238.09822	1.2
239.10928	0.5
249.12791	1.0
251.10789	96.4
252.11148	11.3
253.12350	2.1
275.10864	1.5
276.11493	0.9
277.12363	2.9
279.10281	16.9
280.10583	2.1
281.15430	0.5
291.13937	1.7
293.11859	0.7
294.12640	18.5
295.13019	2.8
309.14963	28.8
310.15302	3.6
353.13950	100.0
354.14285	14.8
354.18463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1397
Annotation	Carexane L
Peak:m/z	Relative Intensity
55.40153	1.0
59.01379	1.2
67.04633	0.8
69.57123	2.1
69.57534	4.7
76.41651	0.9
90.92345	0.9
115.53314	0.9
121.02908	1.0
126.21394	0.9
161.02386	1.1
169.49916	0.9
183.04486	1.1
195.08104	1.2
211.07634	3.8
221.06177	3.8
223.07724	1.8
224.04791	1.6
225.05568	3.5
233.06111	2.9
237.05594	4.3
239.07161	51.1
240.07454	5.5
244.73694	0.9
249.05589	6.9
250.06261	2.9
251.07150	46.6
251.10977	2.3
252.07472	5.6
265.05103	1.4
265.12338	2.1
270.05255	1.2
277.05164	3.4
279.10281	3.7
291.13971	1.1
292.11050	3.0
293.11862	32.4
294.12460	7.0
307.13510	3.1
309.14984	100.0
310.15305	17.2
335.12955	6.6
336.13446	1.4
347.37079	1.0
353.13980	66.8
354.14343	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	353.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59316	3.1
53.29417	3.2
68.73308	3.5
69.56722	3.2
71.02142	6.2
86.26094	3.6
93.95969	3.4
95.10323	3.5
112.16261	3.2
129.75867	3.6
137.11742	3.4
153.98062	3.1
193.60687	3.2
194.13176	3.6
194.71411	3.8
197.06084	10.9
200.49861	3.9
203.07179	10.3
210.06807	10.2
211.07629	46.5
223.07635	29.0
225.05626	35.3
232.23227	3.7
239.07138	39.9
240.07822	24.9
251.07123	36.4
251.10724	10.9
261.09229	4.2
264.24976	3.4
265.12241	6.0
275.10739	4.6
276.11523	8.5
277.12390	20.0
278.13046	5.9
279.13898	11.0
293.11865	12.5
294.12622	100.0
295.12939	12.8
309.14951	45.8
310.15311	5.4
353.13837	28.0
354.14188	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	353.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36503	1.4
57.46575	1.4
59.01377	3.3
66.51360	1.5
70.76761	2.2
70.77084	2.1
72.04650	1.4
75.22063	1.6
107.27734	1.5
115.07885	1.5
136.67101	1.5
148.49852	1.4
183.01192	6.6
185.06104	1.8
197.06087	14.3
198.06509	1.9
203.07135	5.7
204.07712	2.1
208.05328	2.5
209.06073	2.4
210.06862	6.8
211.07671	37.3
212.07927	3.4
215.07159	2.6
221.06018	3.3
222.06673	2.0
223.07635	26.6
224.08011	5.5
225.05602	31.2
226.06029	3.6
237.05545	1.9
238.06375	3.6
239.07167	37.7
240.07906	16.2
249.14880	1.6
251.07135	38.9
251.10782	2.2
252.07469	2.9
259.11304	3.2
261.09106	2.0
265.12387	4.8
267.16037	3.0
276.11557	6.5
277.12302	17.6
278.13043	5.3
279.10736	2.3
279.13870	11.0
280.14270	2.6
293.11917	11.2
294.12634	100.0
295.12918	13.4
308.14117	4.3
309.14978	35.6
310.15323	3.7
337.09760	1.6
338.11682	3.4
353.13831	24.8
353.17813	26.9
354.14264	5.3
354.18201	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	353.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05342	0.9
56.86116	1.0
57.03458	13.4
59.01374	4.0
65.00343	1.1
69.19603	9.6
69.20010	1.6
71.01385	1.0
81.06369	1.0
83.28218	1.0
90.99652	1.0
99.60949	1.2
107.05035	1.3
108.02168	5.6
117.03462	2.4
121.03026	1.2
129.82458	0.9
130.04193	3.4
131.05119	1.2
132.02193	1.6
135.00894	8.3
142.05124	1.1
145.02969	16.0
147.04544	20.6
148.01651	1.6
148.05244	1.7
156.62509	1.0
159.04504	1.6
161.02441	2.7
163.00394	5.7
163.03961	1.7
172.05325	1.6
174.03207	1.8
175.04024	6.2
177.05707	1.2
183.08200	1.9
187.07640	19.6
188.04784	1.9
188.07961	1.8
191.03487	7.4
199.07680	5.6
200.07959	1.2
204.54933	1.1
206.05710	2.0
213.09200	3.7
217.05074	4.9
221.09668	11.6
234.06845	1.2
235.07690	10.4
236.08366	8.6
249.09503	6.8
250.06395	3.1
251.10797	23.0
252.11084	2.2
261.12857	13.0
265.08682	11.9
266.09061	2.6
275.07892	1.6
275.10806	21.5
276.11230	4.5
279.13934	1.4
290.09140	2.0
291.13922	100.0
292.14276	13.6
293.08282	2.2
293.11749	2.0
294.08551	2.0
295.09698	3.3
305.11862	22.8
306.12280	3.1
307.13342	3.0
308.10266	1.3
309.14966	4.6
310.07855	2.2
311.08337	1.4
316.47943	1.1
323.12897	14.9
324.13245	2.0
335.12833	11.8
336.13187	1.5
338.07581	23.3
353.09924	7.5
353.13965	11.9
353.18472	1.5
353.23438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85815	0.8
59.01385	32.8
61.49431	1.0
69.03436	1.0
71.01383	6.6
71.54423	1.5
73.02953	1.9
85.02965	9.1
87.00893	2.4
89.02453	2.6
93.03472	3.0
94.03011	1.6
96.96027	1.4
101.02477	1.9
105.58126	0.9
107.05032	1.8
108.04523	1.3
109.02995	1.0
110.06120	20.9
111.04523	3.4
112.04057	9.8
113.02458	1.3
119.08344	1.0
121.55989	1.0
122.06113	3.0
123.03289	9.7
123.04498	6.6
124.04083	8.7
127.04031	1.3
133.02957	2.0
134.03780	6.7
134.06152	4.6
135.04544	62.4
136.03981	2.2
136.04900	3.1
136.07672	5.0
137.06055	1.6
138.05626	53.0
139.05977	1.7
140.07198	3.8
153.05589	14.0
155.03531	1.3
161.02473	3.9
161.04482	1.4
171.03098	1.1
173.04541	3.4
179.03513	54.7
180.03827	3.2
182.04558	2.3
184.06174	15.6
191.05637	100.0
192.05917	4.4
197.04195	0.9
216.09082	1.1
221.10373	1.1
231.07938	1.2
231.11412	7.8
273.12524	1.6
275.10333	1.2
291.13589	2.8
293.11517	6.6
315.10837	3.0
335.12439	3.4
353.08670	13.8
354.09122	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0882
Annotation	Scopolin
Peak:m/z	Relative Intensity
52.27250	1.3
57.03436	3.1
59.01383	23.4
67.01897	5.1
69.03463	1.8
69.31870	1.9
71.01387	10.1
71.54777	1.7
72.99326	3.7
73.53225	1.5
79.50256	1.4
81.03476	2.3
82.61906	1.5
83.01410	2.7
83.05013	1.6
85.02961	15.2
87.00891	4.0
89.02429	1.4
93.03461	28.9
93.96564	1.4
95.05048	2.8
101.02476	2.6
109.02985	2.8
111.04523	6.9
111.44211	1.5
113.02439	1.9
117.03484	2.0
119.05024	2.7
121.02976	2.6
122.06158	1.9
124.98820	2.1
127.04056	3.3
133.03017	2.8
133.06641	4.1
134.03757	7.7
135.04544	83.4
136.04857	5.1
137.02446	6.9
140.65469	1.4
141.99094	17.4
145.02982	4.6
147.04591	2.3
148.01715	1.5
149.02483	1.6
149.06029	2.0
155.03513	5.7
161.02438	9.1
161.06149	4.0
163.04066	6.3
173.04567	100.0
174.04919	4.6
175.04044	4.9
176.01221	3.6
179.03517	77.1
180.03842	3.3
189.05756	1.5
190.02827	2.1
191.01981	3.2
191.03627	10.0
191.05617	61.7
192.06145	2.3
193.05144	2.2
203.03508	1.7
205.05067	60.1
206.05463	5.9
215.03581	2.1
230.75737	1.8
233.04568	72.5
234.04955	5.7
245.04530	2.4
252.04800	1.7
263.05753	2.4
309.09830	1.8
309.13480	2.3
353.08878	58.7
353.12674	3.3
354.09186	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	352.9178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.1
67.01898	2.4
69.03448	4.9
69.98621	6.6
71.01385	8.9
73.02953	2.6
80.96563	1.4
81.03465	1.5
83.99886	1.4
85.02959	5.5
87.00887	8.0
87.70118	1.5
89.02445	3.9
93.03465	25.4
96.96000	3.9
99.04536	7.0
101.02451	6.4
111.04520	6.3
113.02447	8.2
119.03519	3.4
129.01958	2.3
143.03508	7.0
152.91780	87.4
155.03479	2.2
167.90457	13.1
173.04585	19.5
177.94038	1.6
191.05592	7.0
194.92834	100.0
194.95657	4.1
195.05138	2.3
195.93054	1.9
206.29459	1.6
212.93919	4.7
223.57198	1.5
226.88576	23.5
268.89645	25.3
271.55539	1.6
309.08066	1.9
310.90695	52.8
311.91028	1.8
352.91754	80.3
353.10922	61.3
353.92111	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	351.171
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
51.57319	2.3
59.01387	24.3
68.88989	2.7
96.96001	10.6
121.10213	7.7
150.94792	2.7
171.10252	17.9
186.95609	3.8
192.95781	4.1
259.56500	2.7
261.18680	3.8
268.95966	2.6
275.20169	20.4
293.21347	18.0
351.12366	5.9
351.16968	100.0
351.21518	3.9
352.17374	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	351.1712
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01389	18.2
63.47113	1.5
69.53227	9.2
76.85391	2.3
84.87968	1.6
96.96014	7.7
110.17790	1.7
121.09484	1.6
121.10256	8.2
171.10310	19.5
192.95825	2.5
229.04941	3.9
261.18573	3.1
275.20132	25.6
276.20456	3.2
293.21274	19.4
333.20837	5.3
351.17065	100.0
351.21835	5.5
352.17285	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	351.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06116	0.6
57.59967	0.6
59.01394	3.2
66.52520	0.6
69.63603	4.3
70.77048	0.6
74.72317	0.7
93.03464	5.3
96.40760	0.6
98.19897	0.7
109.36817	0.6
109.70206	0.5
131.05038	3.3
132.50658	0.6
135.08580	0.7
147.08157	0.8
150.51086	0.7
156.05815	9.2
169.06664	0.7
171.08171	100.0
172.08519	8.4
173.06079	1.3
177.12685	0.8
260.36768	0.7
307.20688	48.2
308.21115	5.8
348.09479	0.7
351.19696	48.2
352.19980	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	351.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20275	0.4
59.01387	2.2
62.43529	0.4
69.76028	2.1
69.76455	0.8
79.05540	3.4
80.02671	0.9
91.05539	1.8
92.59892	0.5
93.07109	1.3
95.05022	0.7
96.95997	0.9
98.19964	0.9
105.34241	0.5
106.04266	1.0
107.05045	0.9
109.02961	1.1
118.04282	3.2
119.05064	2.1
120.05820	3.7
121.06612	3.8
131.05051	3.1
133.06619	4.8
135.04507	0.4
145.06601	1.7
147.08194	1.5
150.84198	0.5
151.88707	0.5
158.70160	0.4
173.06123	1.0
177.12784	0.7
177.70358	0.5
183.11781	0.8
207.11891	0.5
210.10495	2.8
223.11298	11.8
224.12039	15.3
225.12830	10.4
226.13112	0.6
234.63779	0.5
269.21292	0.8
292.18256	0.5
305.47406	0.5
307.20685	100.0
308.21011	14.5
308.24469	1.0
351.19632	12.2
352.19928	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	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01740	0.9
69.50951	0.6
71.01371	0.9
83.05014	0.9
87.00878	3.4
92.29292	0.6
97.06604	1.1
101.02438	0.8
121.02999	1.2
147.04517	0.8
147.74747	0.7
163.04039	0.8
163.07680	2.0
190.05042	3.4
201.09282	2.3
219.10167	5.0
229.08775	1.7
245.11855	0.8
261.11539	0.8
289.10934	0.9
291.08917	1.1
351.10855	10.0
351.14825	0.6
352.11096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1712
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
55.06515	2.5
59.01383	17.8
64.56298	2.0
69.38162	19.3
75.86823	2.2
93.03444	2.8
96.96016	30.1
101.00142	2.4
105.92864	2.5
107.08627	3.5
168.83728	2.4
174.58722	2.3
235.16870	8.0
239.14198	4.5
275.19879	9.2
288.99088	2.4
289.32800	2.5
293.04303	6.9
293.21286	20.9
294.21365	3.3
304.87149	2.3
307.20700	33.8
308.20828	3.9
351.12195	10.3
351.16739	100.0
351.24234	3.4
352.17084	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	351.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89443	1.6
58.82705	1.9
59.01116	2.9
59.01388	46.0
60.05515	1.9
64.72000	1.9
69.59525	14.3
71.01389	28.3
72.99300	3.3
73.02961	5.7
75.00875	6.6
79.22520	2.1
80.05061	12.7
85.02959	13.8
87.00887	5.5
89.02457	10.4
92.05070	31.3
93.05386	2.2
94.03016	2.3
94.06618	8.3
95.01402	4.0
98.20634	3.7
99.00867	6.4
101.02452	15.0
101.06092	57.7
101.06768	3.0
108.04556	12.4
110.06100	8.5
113.02463	15.4
119.03521	3.3
120.04563	16.9
122.02473	3.5
122.06135	52.0
123.06454	3.1
125.09754	1.9
129.02016	2.8
131.06157	13.6
132.04500	5.5
136.04044	9.9
138.05615	44.1
139.05968	2.3
146.06108	2.2
148.76073	1.9
150.05602	30.6
152.03560	3.7
152.12560	2.0
153.49088	1.9
153.60643	1.9
161.04585	4.0
166.05110	22.2
167.05824	5.3
168.06691	36.2
169.06993	2.4
171.10283	9.5
174.06670	2.9
175.05128	14.0
182.04512	4.3
189.06740	3.1
189.11264	3.3
194.04591	2.9
203.12860	9.0
204.06760	2.9
210.04085	20.4
212.05663	100.0
213.06013	5.7
218.05771	4.3
229.09816	2.3
235.08472	4.9
249.06180	8.0
249.09935	2.4
264.12479	3.0
289.11932	5.6
291.10098	2.7
292.90652	2.5
295.49597	2.3
307.13028	17.9
308.13312	1.9
309.10919	1.8
333.11124	3.8
351.12582	47.1
351.16632	30.4
351.20200	5.0
352.11838	7.1
352.16904	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	351.1087
Annotation	Plumbaside A
Peak:m/z	Relative Intensity
57.03444	3.5
59.01383	6.9
69.03427	1.8
71.01386	3.0
71.44049	1.3
73.02948	1.6
81.03477	1.8
85.02940	2.0
85.98045	1.2
87.00882	61.3
93.37422	1.4
96.96049	1.4
97.06612	10.0
101.02475	1.8
107.63200	1.3
115.00358	1.7
121.02969	9.4
122.03766	3.1
123.04534	6.9
130.99890	11.3
133.01434	1.5
146.03745	14.0
147.04532	9.0
148.05241	1.7
149.06094	5.4
160.05215	2.9
161.06090	4.2
162.06876	2.2
163.07651	4.5
164.07986	1.5
172.05318	7.9
173.06026	5.7
173.09711	1.8
174.03189	6.2
174.06802	2.6
175.03999	5.6
175.07655	36.0
176.04866	3.2
176.08005	2.6
186.06900	6.5
187.07623	9.6
188.04779	6.5
189.05589	6.1
189.09254	2.9
190.06345	9.9
191.10815	2.6
197.06189	1.8
200.04784	16.2
201.05513	2.8
201.09212	17.5
202.09535	1.9
203.07141	12.3
204.07939	7.1
205.03487	1.5
214.06303	1.6
215.07144	3.3
216.07835	2.7
217.08728	12.4
219.10255	28.0
220.10536	2.2
225.08963	1.6
227.10800	8.8
228.07985	2.3
229.08708	54.7
230.09041	5.4
245.08203	7.6
245.11845	6.0
247.09830	8.0
254.04233	4.3
261.11426	4.6
271.09888	6.4
273.07693	39.9
274.08038	4.0
285.38715	1.4
289.10861	7.1
291.08676	1.7
333.09839	12.1
351.10873	100.0
352.11124	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	350.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19815	5.4
55.86491	5.1
59.01387	45.3
59.55663	5.8
67.01889	5.1
77.85179	6.4
81.03448	9.3
84.22655	5.3
96.96030	70.0
104.49290	5.3
107.05081	10.2
113.02375	5.2
122.26721	6.3
149.06073	7.4
157.06587	16.4
191.95789	5.7
192.95844	10.2
201.05432	5.6
202.51141	5.1
203.72853	5.6
225.09250	25.4
231.10289	11.6
237.09082	7.2
255.06743	6.1
262.13208	7.9
269.08224	6.8
271.22800	9.6
293.07968	5.7
319.09805	12.8
321.07785	6.9
329.91406	5.7
335.09329	14.5
336.09894	18.0
350.15033	36.0
350.22067	8.1
351.12405	100.0
351.18430	41.2
351.22061	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	350.9483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66587	5.6
59.01376	26.0
69.67898	8.6
69.68307	26.4
93.59192	5.5
96.96014	8.0
98.20573	7.1
118.94247	10.1
119.57780	5.5
132.98114	6.6
150.94815	15.2
152.91823	8.5
159.96400	6.5
170.88365	13.8
186.95628	21.6
192.95879	100.0
198.69418	6.3
228.52213	6.1
260.87302	9.0
268.95972	20.0
272.14139	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1087
Annotation	Plumbaside A
Peak:m/z	Relative Intensity
57.03442	1.7
59.01384	61.0
60.01712	1.5
69.03462	4.1
70.09058	6.3
70.44646	1.4
70.77567	1.7
71.01379	6.4
73.93110	1.5
87.00883	62.4
88.01241	1.7
89.02412	2.0
97.06592	8.5
101.02424	4.6
107.27953	1.6
113.02447	2.5
115.00381	1.9
119.03480	1.7
121.02966	5.1
122.03771	2.7
123.04565	7.9
129.98352	1.7
130.99844	12.9
133.02904	1.6
146.03738	15.8
147.04544	8.6
149.06100	2.0
159.04529	3.7
160.05266	2.2
161.04613	1.7
161.06071	3.6
162.06845	3.7
163.07635	6.0
172.05356	9.3
173.06082	5.8
173.09801	1.7
174.03189	7.3
174.06862	2.8
175.03999	6.9
175.07664	38.1
176.04848	1.9
176.08035	2.4
176.40065	1.8
186.06836	7.1
187.07698	11.1
188.04747	5.5
188.08192	1.7
189.05550	6.7
190.06378	10.7
191.10799	5.1
197.05916	2.0
200.04837	20.7
201.05441	4.8
201.09233	19.8
203.07158	15.6
204.07788	6.2
215.07068	2.6
216.07848	3.4
217.08710	11.9
219.10266	24.1
220.10443	2.0
227.10771	9.3
228.08022	4.1
229.08720	62.4
230.09088	4.5
243.10251	2.3
245.08185	9.7
245.11826	3.8
247.09773	8.5
254.04332	6.3
254.82686	1.6
256.30692	1.8
261.11301	5.5
271.09705	5.9
273.07693	38.6
274.08035	2.8
289.10886	10.6
291.08853	4.2
302.01190	1.9
315.08566	3.4
333.09778	13.7
351.10837	100.0
351.20288	3.8
352.11139	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	350.1459
Annotation	O-beta-D-Xylosylzeatin
Peak:m/z	Relative Intensity
55.01886	2.2
57.03447	0.9
58.00589	1.8
58.02987	4.6
59.01385	68.7
69.49732	6.4
71.01391	27.0
71.05025	21.2
72.99290	2.1
73.02964	2.7
83.01405	3.3
85.02939	7.2
87.21738	1.1
89.02457	16.3
95.01414	1.7
99.00882	1.8
101.02455	16.7
103.77091	1.0
110.06123	1.2
113.02469	7.0
114.39206	1.1
119.03490	6.8
124.07661	1.5
126.09262	65.8
127.09572	2.2
128.07173	9.0
143.03439	1.1
146.08231	2.0
161.04585	3.4
170.08241	26.5
171.08630	1.2
188.09341	6.0
192.95854	1.3
218.13934	1.1
227.28864	0.9
272.11368	1.9
290.12485	5.6
311.18735	1.0
350.14581	100.0
351.15054	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	349.2174
Annotation	3,5-Dihydroxy-4-(3',7'-dimethylocta-2',7'-dienyl)bibenzyl
Peak:m/z	Relative Intensity
56.14149	1.1
58.98434	1.1
59.01395	2.5
71.54743	1.3
71.55191	1.5
93.83352	1.4
107.05052	2.9
134.03748	1.9
135.04539	23.9
142.32585	1.1
147.04550	3.3
164.84070	1.1
172.79848	1.2
177.12859	1.6
189.09206	9.8
212.08504	1.6
223.07729	1.2
225.09187	11.8
226.09970	2.6
227.10736	2.1
239.10912	1.8
320.75858	1.4
349.21750	100.0
350.22009	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	350.052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.9
61.98836	100.0
71.55380	0.7
83.54453	0.8
87.00894	7.7
90.65177	0.6
93.03481	1.4
96.95996	1.0
97.06631	0.9
107.05057	3.4
111.04478	0.8
112.05314	3.9
121.02967	13.1
122.03761	1.6
130.99887	2.4
135.04543	1.6
137.02444	1.6
146.02090	0.6
147.04568	4.8
151.00383	1.8
163.04028	2.0
164.04781	0.8
173.04805	0.7
191.03587	2.0
201.09254	1.4
221.20374	0.7
234.47353	0.8
235.69467	0.8
252.51480	0.8
254.04373	2.8
270.05042	1.3
291.08832	2.5
311.68079	0.7
351.10895	15.3
351.14935	1.2
352.36130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35711	0.4
66.59107	0.4
69.98721	0.4
74.76065	0.4
75.11977	0.4
81.03466	1.3
93.03467	1.2
95.05029	1.0
98.19855	0.8
107.05041	7.7
109.06613	0.5
122.03796	0.7
134.03738	0.8
135.04543	18.5
136.04967	0.8
142.79099	0.4
149.06105	1.0
161.09499	0.4
169.10323	0.4
171.08170	1.0
175.07625	0.5
177.12869	4.1
189.09236	6.8
190.09509	0.6
211.07663	0.9
212.08479	2.7
213.09131	1.8
214.09586	0.4
224.07993	1.2
225.09254	9.8
226.09991	8.8
227.10797	2.9
237.09215	1.8
239.10738	1.1
258.16217	1.4
265.12326	0.6
267.14136	0.4
279.13855	0.9
305.19205	1.6
338.66461	0.4
349.21719	100.0
350.22067	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.7
59.01384	100.0
59.89110	0.6
60.01714	1.2
70.29674	2.7
70.74623	0.6
71.01388	3.5
73.02953	1.7
83.01395	0.8
85.02982	1.9
87.00914	1.3
89.02447	0.9
92.88254	0.7
101.02456	2.2
113.02486	1.6
131.42606	0.6
151.60735	0.8
161.04533	0.7
171.10243	0.8
217.14516	1.5
299.02173	0.8
307.17838	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	349.1872
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01870	3.4
55.28607	1.0
55.50238	0.9
57.03445	4.1
58.00593	3.5
59.01386	100.0
60.01712	2.1
66.10055	1.1
69.03458	2.0
70.70415	2.0
70.70732	1.2
71.01390	80.8
71.05036	1.4
72.00907	1.3
72.01706	1.9
72.99306	5.2
73.02948	15.7
73.04077	14.5
75.00890	2.3
80.05095	1.5
80.96545	1.0
82.02989	5.5
83.01405	8.1
83.02534	1.0
84.00884	1.7
85.02959	23.6
85.48705	1.1
87.00877	6.0
87.04531	3.5
89.02455	57.6
91.05548	3.5
94.02976	2.1
95.01429	4.9
96.04570	6.6
97.02946	1.2
97.06601	3.6
98.02450	6.4
99.00887	4.8
99.04523	1.6
99.08216	1.1
99.92564	2.4
100.04021	1.1
101.02452	44.6
110.02488	1.6
110.45667	0.9
111.05703	1.8
112.04053	6.5
113.02460	35.3
113.06109	1.7
115.07668	1.2
115.92091	3.4
116.05016	1.1
116.92883	15.4
118.06642	2.2
119.03515	28.1
120.08127	0.9
121.02898	1.0
121.04103	1.3
121.06581	1.5
122.02446	2.3
124.04053	1.2
125.02428	2.5
125.09741	1.7
127.07644	2.0
128.03552	2.3
129.01936	2.2
129.06694	2.9
131.03506	3.5
133.06927	1.5
135.04672	0.9
136.07642	1.4
137.03551	2.5
139.05145	16.0
140.03511	1.5
141.09230	1.6
143.03554	6.0
143.04524	0.9
143.07156	2.8
145.08788	1.3
147.03033	2.0
147.04520	10.5
148.04948	1.0
149.04594	2.0
151.05127	4.0
155.04642	4.2
155.10777	1.5
156.03030	4.7
157.06190	3.8
157.08723	1.5
157.12334	1.2
159.03047	2.8
159.04427	1.2
161.04568	19.3
164.07185	15.2
166.01480	8.1
169.08728	3.5
171.10118	1.1
174.05644	1.5
177.10349	4.8
178.03790	1.9
179.05649	8.6
184.02522	4.5
186.06905	2.8
187.09758	3.0
187.13409	7.9
188.04816	4.4
201.08813	2.6
201.11346	21.1
217.08688	9.7
217.10786	4.6
221.09286	1.7
243.11458	8.4
261.11533	1.4
287.10361	20.5
288.10724	1.6
289.16455	2.6
301.10880	1.5
303.09918	17.8
304.10263	1.4
305.11377	4.5
307.14029	1.6
331.09402	13.5
331.17545	1.5
332.09778	1.3
349.10333	26.2
349.14886	21.1
349.18710	51.7
350.10699	4.4
350.15155	2.2
350.18912	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	349.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
59.01366	7.2
71.01397	3.1
71.55011	3.5
96.96024	10.9
97.06580	2.2
98.20718	2.0
99.04520	5.0
107.04366	2.1
107.05035	2.8
121.10221	7.1
125.09703	3.7
135.04512	9.0
146.14993	2.1
149.02483	2.8
174.53268	2.1
185.11884	5.2
216.78978	2.4
225.09184	8.0
226.09828	3.3
245.19110	5.0
259.34604	2.2
265.14740	5.5
269.57117	2.3
291.19708	24.1
292.20004	3.1
313.17868	100.0
314.18243	17.8
349.14948	19.7
349.21643	37.1
350.15021	3.0
350.21832	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	349.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24682	0.9
59.01379	2.4
71.54863	1.5
79.05547	5.0
95.05058	1.3
96.96001	2.7
101.02461	0.9
107.05016	2.1
109.06599	1.6
135.04547	3.1
139.05510	2.0
141.07114	14.1
145.06602	2.0
147.11865	5.7
151.05490	1.1
159.08163	1.8
163.72743	1.0
169.06606	68.3
170.06943	4.7
171.04489	3.1
177.12894	14.2
178.13179	1.2
189.09195	1.0
209.78014	0.9
213.09288	1.3
225.09142	2.0
235.11218	2.1
237.12831	1.1
305.19135	58.6
306.19495	9.0
349.18060	100.0
349.21826	22.5
350.18372	14.6
350.22214	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	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01733	1.3
70.09960	1.5
70.10358	1.9
71.01403	2.6
73.02953	1.7
74.87675	0.8
78.44506	0.8
83.01416	0.8
85.02951	1.8
87.00900	1.6
99.00879	1.0
101.02448	1.9
113.02499	0.8
115.15953	0.9
121.75600	0.9
155.10822	2.4
161.57593	1.0
171.10306	2.7
194.08786	0.8
217.10860	9.3
217.14442	1.6
293.36456	0.9
307.17682	2.5
349.14990	2.0
370.66907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	48.8
59.75681	1.2
63.12170	1.4
69.03441	1.3
71.01383	7.7
72.99300	1.6
73.02944	1.9
75.16856	1.4
80.36591	1.1
85.02951	5.3
87.00892	19.6
89.02464	2.5
97.06570	4.0
101.02454	5.1
109.02888	2.0
113.02451	2.5
121.02957	1.5
123.04520	4.3
135.04483	1.9
136.95964	1.2
146.03766	6.8
147.04535	2.4
147.08229	2.0
155.10719	1.8
157.08743	2.0
159.04485	8.0
161.04726	1.7
161.06091	3.5
163.03954	5.2
163.07590	2.0
164.04779	5.3
173.06015	3.9
174.03261	6.4
174.06903	8.5
175.03925	2.0
175.07642	9.5
185.05984	1.9
186.06865	1.9
187.04065	1.6
187.07547	1.7
188.03127	2.4
188.04799	42.0
189.05582	14.7
189.09129	1.4
199.03906	1.5
199.07645	2.3
200.08336	1.6
201.05566	3.8
202.06331	4.2
203.07155	13.4
204.07936	11.5
205.08540	1.8
212.71416	1.2
213.05649	1.3
214.06416	8.0
215.10838	1.7
217.08717	100.0
217.10681	4.6
217.14305	6.0
218.09068	8.4
225.09181	2.6
227.07088	2.2
232.07425	3.1
243.10269	13.8
259.09769	2.6
261.11313	21.7
262.11728	2.0
287.09302	1.8
305.11414	3.0
349.09415	9.5
349.18689	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	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01727	0.8
50.92730	0.9
51.45489	0.9
55.01886	0.9
59.01384	100.0
60.01727	1.5
69.59012	5.6
71.01380	7.6
73.02945	3.3
81.03465	1.1
83.01379	1.1
85.02969	3.4
87.00891	4.4
89.02453	6.9
96.70958	0.9
99.00932	1.1
101.02447	6.0
113.02464	3.3
119.03493	1.9
123.04588	0.9
125.02419	1.6
134.03627	3.4
136.01662	1.1
157.08746	1.3
161.04567	1.7
217.08669	1.0
217.10799	2.8
228.57104	0.9
287.11456	2.5
305.09888	5.0
305.43518	1.0
349.08929	1.4
349.11755	1.6
349.18753	2.1
350.09183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01385	41.8
66.26665	1.1
71.01383	8.3
71.55492	1.3
71.75197	1.3
73.02958	3.4
85.02952	6.4
87.00890	16.4
89.02459	4.7
97.06608	4.1
101.02441	5.2
108.92841	1.1
109.03011	1.3
111.00858	1.5
112.98812	1.4
113.02468	3.5
119.03579	2.2
121.02916	3.0
123.04532	2.5
134.03745	1.2
140.23860	1.3
145.03033	1.6
146.03767	6.3
147.04552	3.9
149.06100	1.5
153.51759	1.4
155.10799	2.8
157.06548	1.4
157.08667	1.9
159.03033	1.9
159.04520	6.9
160.05168	1.6
161.04556	2.1
161.06107	4.2
162.06818	1.3
163.04044	3.4
163.07671	1.8
164.04794	5.1
173.06059	4.8
174.03256	5.8
174.06892	9.6
175.03896	1.8
175.07668	7.6
179.05650	1.5
181.38109	1.1
185.06042	2.2
186.06845	2.3
187.03987	3.5
187.07640	4.0
188.04791	42.6
189.05531	17.3
189.09172	1.5
190.06126	1.8
191.10811	1.7
199.07608	2.8
201.05557	4.4
201.09184	1.4
202.06351	5.4
203.07147	14.3
204.07909	11.2
205.08566	1.7
213.05580	1.3
214.04614	1.6
214.06325	8.4
215.07059	1.6
217.08708	100.0
217.10695	4.4
217.14357	7.5
218.09024	8.3
219.10197	2.0
227.07314	2.1
231.12447	1.5
232.07407	2.9
243.10306	14.5
245.08113	2.3
253.56306	1.2
259.09604	2.7
261.11322	19.9
262.11588	2.9
305.11438	4.7
317.11234	1.7
349.09341	9.3
349.14920	2.4
349.18710	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	349.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65673	1.6
55.01880	2.7
57.03448	4.3
59.01385	42.5
65.98849	1.8
69.03481	2.5
71.01388	29.8
71.31820	3.2
72.99306	1.6
73.02948	6.3
73.04076	7.2
82.02982	5.5
83.01395	3.7
84.00943	2.2
85.02970	12.0
87.00880	2.8
87.04513	3.0
89.02447	21.8
89.90184	1.5
91.05558	2.5
96.04574	4.1
97.06593	6.2
98.02482	4.1
99.00884	2.0
101.02446	17.3
112.04041	4.5
113.02458	14.3
116.92857	11.6
119.03510	9.4
121.02951	1.8
121.06655	1.6
123.04476	3.5
123.06940	1.7
126.71674	1.6
129.06647	1.7
133.06950	2.6
136.04021	1.8
139.05119	9.6
143.03476	2.3
146.03741	5.1
147.04570	7.4
151.05110	3.0
152.49332	1.8
155.04626	4.1
156.03036	4.0
159.04498	5.6
161.04573	6.8
161.06087	4.2
163.03964	4.8
164.04855	7.5
164.07152	10.0
166.01489	4.7
169.08687	2.9
173.06047	2.8
174.03224	3.2
174.06908	8.3
175.03891	1.8
175.07672	7.9
177.10365	4.3
179.05643	3.1
184.02461	2.4
186.06868	4.2
187.09743	4.4
188.04794	52.0
189.05568	20.0
201.09685	1.9
201.11333	14.2
203.07121	8.5
204.07933	10.6
205.08629	1.8
214.06406	7.8
215.06955	1.9
216.07849	2.1
217.08707	100.0
217.10623	4.5
218.08997	6.7
219.10370	2.6
232.07399	6.4
243.10072	10.0
261.11292	17.9
262.11591	1.7
270.78564	1.7
281.25607	2.0
287.10370	12.3
289.16315	1.9
303.09848	9.3
305.11459	3.1
331.09189	9.0
349.10303	16.1
349.14886	18.0
349.18719	23.6
350.10767	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0027
Annotation	Apigenin 7-sulfate
Peak:m/z	Relative Intensity
53.47702	0.2
58.34523	0.2
58.86588	0.2
59.01381	1.0
63.02401	1.8
65.00359	0.6
66.68799	0.2
69.30246	0.8
69.30672	0.7
71.01379	0.4
72.52506	0.2
79.70523	0.2
83.01402	0.2
101.02433	0.4
105.03497	0.2
107.01402	1.7
117.03478	2.9
135.04535	0.3
136.12485	0.2
149.02452	0.8
151.00383	0.6
155.05119	0.2
159.04535	1.8
161.02480	1.2
169.06610	0.6
181.06627	0.6
183.04501	0.9
196.05284	0.3
197.06104	0.8
201.05588	0.7
201.14977	0.6
203.03531	0.3
224.04814	0.4
225.05592	0.9
226.05824	0.3
227.03493	0.4
261.34650	0.2
269.04568	100.0
270.04913	10.8
349.00235	8.8
349.13058	0.3
350.00589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1714
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.43756	0.7
55.01888	2.1
57.03445	1.5
58.00601	3.6
59.01385	100.0
60.01725	1.0
69.24695	6.1
71.01387	59.5
72.79235	0.6
72.99310	4.1
73.02964	1.5
76.56113	0.7
83.01397	1.2
85.02958	9.1
87.00899	2.1
89.02451	65.6
90.02792	0.8
95.01422	2.6
96.01796	0.7
101.02455	30.3
106.46017	0.8
113.02454	22.7
119.03509	30.4
119.67080	0.7
129.01981	1.1
131.03543	3.1
143.03520	5.9
147.03085	1.2
149.04616	2.9
161.04558	1.9
166.84137	0.7
167.10783	13.9
168.11122	0.9
179.05649	7.2
193.02609	0.9
199.13438	5.6
207.07787	0.7
312.55408	0.7
329.06705	1.3
347.07944	1.3
347.17209	7.6
347.24380	1.3
351.13724	0.8
359.54013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22094	0.7
55.53894	0.8
57.03447	1.5
59.01384	100.0
60.01728	1.0
70.18594	1.3
70.18987	1.7
71.01402	6.5
73.02953	3.2
83.01353	1.2
85.02958	3.4
89.02454	2.6
95.01408	0.8
98.20653	0.9
99.00860	1.2
101.02457	7.2
113.02479	4.0
114.57888	0.8
119.03509	1.7
122.06128	1.4
125.09725	1.1
134.35741	0.9
136.06105	0.8
143.10797	0.9
161.04532	2.1
167.10709	1.2
169.12366	1.7
181.01074	0.7
186.35718	0.7
199.09723	1.0
215.09323	1.5
215.12888	8.6
275.89142	0.9
303.09552	0.9
305.16077	3.8
347.17026	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	347.2018
Annotation	2(S)-7-Hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
50.56738	0.1
55.01882	0.3
59.01387	0.2
65.03966	0.2
67.01890	0.6
69.62846	0.6
78.43815	0.1
79.05533	0.2
79.50697	0.1
93.03469	0.6
95.05029	0.3
107.05029	0.5
109.06590	0.1
135.04485	0.1
141.07104	0.2
165.06949	0.1
167.05049	0.3
167.08693	0.2
168.01591	0.1
169.06607	0.8
177.12857	2.5
178.13161	0.2
179.08682	7.0
180.05817	0.3
180.09094	0.6
181.10262	1.0
182.07368	0.2
191.08606	0.3
193.06621	0.1
193.10263	0.2
194.07385	0.3
195.08151	0.5
196.08945	1.6
208.05225	0.2
209.06033	0.7
210.06812	0.6
211.07637	1.8
212.07986	0.1
219.11749	0.2
221.06099	0.5
222.06815	0.4
223.07661	47.9
224.08260	9.0
225.09204	5.6
226.09590	0.5
233.05957	0.2
235.07648	3.9
236.08240	0.5
237.09224	2.5
238.09612	0.2
248.08325	0.1
249.09221	0.2
256.07367	1.2
263.10812	2.2
264.11264	0.3
265.12314	0.6
277.12311	1.3
277.84625	0.1
278.12900	0.3
303.21021	0.3
306.16205	0.2
329.19135	0.1
345.18695	0.2
347.20166	100.0
348.20502	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	347.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.25576	0.4
57.03455	1.2
59.01385	10.0
65.03949	0.5
69.03458	0.9
71.01392	6.3
71.05038	0.5
71.55197	0.7
72.99316	0.8
73.02954	4.4
75.00893	0.6
80.02650	0.4
81.03447	0.9
83.01394	1.2
85.02954	2.8
87.00864	1.0
87.04521	0.5
89.02441	3.2
95.01393	0.8
95.05011	0.7
97.02960	1.9
97.06616	2.2
99.00882	0.5
99.04523	0.7
99.94318	0.5
101.02457	4.3
102.02761	0.5
103.04067	0.4
107.05026	0.8
109.03007	0.4
109.06618	4.9
110.06161	0.5
111.00809	0.5
111.04498	0.4
111.08187	1.5
113.02469	3.6
119.03518	1.0
119.05025	1.2
121.06606	100.0
122.06136	1.0
122.06923	4.7
123.08156	0.4
127.89714	0.5
129.05557	0.6
130.08777	0.9
131.03546	1.1
133.31903	0.5
137.06120	1.2
137.09695	0.8
139.07681	2.7
141.05574	0.8
147.03009	0.6
149.04616	1.5
153.09305	0.5
155.07169	4.3
155.10750	0.5
161.04570	2.0
162.05655	0.5
165.04192	1.0
165.05566	9.1
171.10287	1.6
180.06664	0.8
183.06624	0.6
185.08083	0.5
185.12013	0.5
193.48485	0.5
197.08212	23.0
198.08597	1.3
199.09814	2.8
215.09265	9.7
215.12703	2.5
216.13164	0.4
283.10785	0.5
285.12671	1.0
303.13486	1.0
317.10400	0.9
329.11407	0.5
338.59442	0.4
347.08319	1.1
347.13306	5.6
347.17279	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.125
Annotation	Achillamide
Peak:m/z	Relative Intensity
52.44563	2.2
55.01884	4.5
59.01387	40.6
71.01389	32.3
71.05018	2.6
71.55167	3.2
73.02941	6.0
75.00880	3.8
79.05530	21.5
81.03457	5.9
83.01411	3.1
85.02978	10.4
89.02457	16.7
91.37390	2.7
92.17011	2.4
93.03450	2.9
95.05048	9.6
97.02946	3.5
97.06603	10.9
99.00906	6.7
99.04514	7.9
101.02455	14.4
107.03757	3.0
109.06573	4.6
110.06125	79.3
111.04522	4.7
111.08188	5.6
113.02483	6.5
116.05077	20.1
118.06656	5.6
119.03497	5.2
119.08665	4.3
121.06602	58.8
122.06134	96.3
122.06878	4.5
123.06457	2.8
129.01952	3.8
129.05605	10.5
137.09715	8.1
139.07603	4.4
141.05580	5.1
144.04562	76.7
145.04947	3.9
146.06142	4.4
147.03021	6.5
149.04497	3.2
150.05609	3.1
155.07185	4.1
161.04784	9.7
162.05615	47.0
163.06339	6.0
165.05559	6.3
171.10316	6.8
173.04767	3.8
177.04240	3.6
182.06168	4.5
187.18292	2.7
188.03587	10.8
191.05878	9.8
197.08231	18.3
199.09785	23.1
200.07253	4.4
212.07137	2.8
212.10863	4.1
215.09265	22.6
224.10837	4.9
230.08235	7.0
230.11887	16.8
240.08984	4.9
242.11855	7.7
251.08308	4.4
252.09027	12.6
255.11378	25.2
259.14618	3.2
260.12921	12.3
267.11398	86.7
268.11703	11.0
272.06894	2.8
273.12329	13.7
281.09360	3.8
284.08026	3.1
285.12457	100.0
286.12796	11.2
293.09341	6.6
303.13507	31.7
304.14038	3.9
311.10437	17.6
329.11481	25.4
330.11707	5.5
347.12701	58.4
347.17108	6.9
348.12991	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	347.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	22.4
59.01387	29.6
62.95695	8.2
68.25080	7.7
68.99797	7.1
69.30793	34.7
69.31219	28.4
71.01385	100.0
73.02947	22.4
83.01395	24.6
83.52991	8.1
85.02982	21.5
86.02489	18.0
87.00874	17.1
89.02457	22.3
98.02492	20.3
99.00895	38.4
101.02451	20.5
111.00903	48.4
112.98827	22.7
113.02454	12.0
115.00324	8.6
129.01949	55.5
142.99875	95.8
149.04564	18.7
173.00923	37.5
173.04486	14.6
176.00163	34.6
212.02893	10.1
236.59612	8.7
285.12625	9.0
344.31430	8.4
347.07477	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	347.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35387	0.6
57.03456	6.8
59.01385	14.6
62.63344	0.7
69.75040	3.1
71.01388	7.3
71.78943	0.6
72.99328	1.0
73.02954	4.0
75.00913	0.6
83.01395	14.8
85.02976	2.4
87.00879	3.5
89.02470	2.3
98.20659	0.8
99.00941	0.8
101.02461	7.0
103.00384	32.5
105.65547	0.6
110.16998	0.6
113.02496	2.4
115.00380	10.1
123.22286	0.6
140.01144	3.8
143.08682	5.1
146.99388	6.4
149.04573	2.1
155.03520	2.8
158.03754	2.7
159.08180	2.5
161.02486	0.6
161.04630	0.8
167.10794	1.0
171.08171	1.2
172.05327	6.1
173.06088	14.4
174.06520	0.8
184.05301	1.1
185.11916	1.3
186.03299	0.9
186.06937	0.9
187.07661	100.0
188.08026	6.8
199.07706	4.1
201.05597	20.8
201.09320	2.4
202.06335	11.3
203.06728	0.8
211.04073	1.8
226.06332	1.4
229.08936	1.4
241.08760	2.8
259.09805	1.8
273.07797	0.8
285.07803	0.7
300.18997	0.6
347.07764	24.3
347.17084	24.3
347.24072	1.6
348.07990	2.5
348.17337	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	347.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98844	8.6
69.96711	30.4
71.01387	43.5
73.02975	13.4
74.02467	7.4
85.02959	25.9
87.00902	10.6
89.02463	27.5
96.69096	6.6
97.02966	8.1
99.00899	13.5
101.02489	33.4
109.02901	7.7
113.02477	20.1
115.68015	6.8
123.04539	9.6
125.02430	7.9
133.05042	8.6
138.05585	17.5
147.06642	71.1
149.04561	13.3
168.06668	10.8
173.04454	7.9
176.00278	7.9
273.18240	10.1
303.07156	7.7
347.09155	77.8
348.09351	16.3
348.13263	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	346.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11983	0.4
59.01383	26.2
60.01715	2.8
61.01815	0.7
61.98835	100.0
71.02002	0.7
87.80360	0.4
88.01160	0.3
96.16991	0.4
110.11860	0.4
110.87856	0.4
133.56783	0.4
145.21619	0.4
158.03731	0.8
159.03337	1.0
201.02567	3.3
202.02739	10.7
202.98949	0.6
203.02295	15.8
204.00005	45.2
204.02718	3.0
205.00160	3.2
205.02885	0.7
307.80423	0.5
316.07513	0.5
346.00864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06330	4.5
59.01373	9.3
61.98837	100.0
68.56629	4.3
69.77901	21.6
73.90678	4.3
108.22356	4.4
177.74454	4.6
203.85777	5.2
215.13014	7.2
283.06155	16.4
346.10007	8.0
346.23193	14.9
347.24084	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	347.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72235	0.3
52.57043	0.4
55.86455	0.3
57.91529	0.3
58.76068	0.4
59.01366	1.7
63.06411	0.4
65.21967	0.4
77.09893	0.4
101.55245	0.4
112.42712	0.4
113.94099	0.3
132.02190	3.1
135.00861	0.9
146.37013	0.4
195.04530	1.4
196.05029	0.6
196.08768	0.4
208.05286	1.5
223.03970	5.4
224.04736	2.6
249.66402	0.4
251.03517	4.5
252.04288	62.6
253.04637	6.0
267.06635	100.0
268.06985	11.1
346.23328	0.6
347.02338	15.1
348.02499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	40.0
58.03784	0.9
59.01375	3.6
59.75587	0.9
61.98825	1.0
69.03452	3.8
71.01377	0.9
71.05039	1.2
71.55051	1.2
85.06594	6.6
86.96918	0.8
87.77636	0.7
92.49653	0.7
93.03476	3.9
95.01387	1.6
97.06580	0.9
98.31407	0.7
103.21831	0.7
107.01423	1.0
108.02178	1.2
109.06622	0.8
120.79998	0.9
123.00910	1.2
123.04527	0.8
124.01661	1.3
125.09730	0.8
136.01689	2.4
137.02464	4.3
139.04037	1.2
141.12849	1.2
151.00371	1.2
157.12358	0.9
165.01933	0.8
169.16002	1.7
177.02031	1.0
179.03490	1.3
185.15581	1.5
186.95633	1.1
187.09763	1.5
199.09195	0.9
208.38278	0.8
211.17059	15.3
213.18625	47.6
214.18935	5.0
225.18588	1.1
229.08774	1.3
239.20189	0.9
241.21745	3.6
247.09810	1.4
257.24652	1.0
258.11874	0.8
281.24811	1.5
290.97141	2.5
297.24316	0.9
299.25946	24.1
300.26248	2.9
303.17227	1.0
315.05008	3.0
327.29144	3.5
344.94644	1.8
345.10092	6.8
345.13455	4.6
345.16803	7.7
345.30118	100.0
346.30487	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	345.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27636	17.0
59.01374	41.9
61.98816	28.8
68.09700	17.8
68.78878	17.8
71.54707	18.4
100.30898	17.2
144.84674	16.4
165.12712	21.7
174.34447	17.1
186.95596	32.8
216.55203	16.3
223.07846	22.1
247.06390	17.4
248.10425	30.0
248.96062	37.2
255.43698	20.9
290.97076	71.6
309.20670	100.0
310.21103	18.7
310.54770	16.9
344.63654	17.0
345.18268	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	28.2
69.46841	81.6
80.95822	11.7
91.01888	13.9
97.02958	19.2
98.19966	23.9
98.21490	12.3
99.00849	15.9
135.00945	11.9
139.00363	20.0
140.01169	48.4
154.02768	17.2
155.03587	15.7
171.10274	28.2
172.10576	14.9
172.69122	12.5
186.95583	19.5
211.13501	14.0
243.05739	14.1
248.96037	20.4
290.97159	54.4
291.19763	41.1
309.20834	100.0
310.21158	18.4
315.04800	18.6
330.06815	35.0
345.09369	34.0
345.25586	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03203	0.4
54.87677	0.4
55.31650	0.4
57.03453	8.9
58.19183	0.4
62.65393	0.4
63.58344	0.3
70.20569	0.8
70.20959	0.7
83.01404	2.7
87.36969	0.4
95.02353	0.4
98.79160	0.4
105.09845	0.4
107.05051	0.5
109.06554	0.5
124.01670	19.4
125.02412	1.4
126.04887	0.5
131.31145	0.4
137.02426	2.4
138.03217	0.7
150.03236	2.4
172.58501	0.4
177.05583	1.3
177.12839	3.0
191.07088	0.7
193.15987	5.1
217.15984	4.3
219.13876	1.6
248.95944	0.4
261.14957	100.0
262.15305	9.7
291.32272	0.4
345.17029	9.0
346.17413	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	345.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.3
59.01387	1.3
66.82990	0.2
69.03474	1.1
70.25703	0.7
71.01398	0.6
71.60217	0.2
73.02951	0.6
80.02690	1.0
81.03477	0.7
83.05035	2.6
85.02983	0.3
87.04519	0.3
89.02410	0.4
95.05049	0.7
97.06611	4.7
98.20063	0.3
101.02452	0.3
109.02964	0.8
109.06593	0.7
113.02487	0.3
115.16135	0.3
119.28184	0.2
123.08192	0.5
126.03407	0.2
131.03529	0.3
133.10257	3.9
140.81332	0.2
149.04640	0.6
149.09758	1.0
151.11301	63.5
152.11635	3.6
169.12357	2.1
195.10266	4.7
207.09415	0.2
212.33597	0.2
213.11340	100.0
214.11687	6.5
214.13632	0.4
302.46790	0.2
345.09506	0.5
345.15588	11.3
345.22305	2.3
345.26590	0.4
346.15860	1.3
346.22980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
59.13452	0.7
63.90592	0.6
69.94985	2.4
69.95409	1.3
70.15459	0.7
70.79662	0.6
71.01376	1.7
75.00878	13.5
84.88278	0.7
89.02454	2.7
98.20631	1.4
107.96450	0.6
111.08150	1.5
117.01960	2.1
135.03012	54.6
135.84926	0.7
136.03290	1.6
137.67938	1.0
149.04857	0.9
153.15437	0.7
153.89952	0.7
165.12857	25.2
166.13225	1.6
183.13910	100.0
184.14214	6.0
186.90396	0.7
209.11819	2.4
227.12904	76.9
228.13272	6.9
272.03278	0.8
274.63434	0.9
279.49081	0.9
300.07666	0.8
309.96765	0.7
345.15588	13.7
345.22672	3.0
346.15897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05496	1.2
59.01381	17.9
66.03497	1.1
71.01390	9.5
71.55594	1.1
73.02954	1.3
83.01415	0.9
85.02962	3.4
85.30978	0.8
89.02451	11.5
94.02975	1.2
94.06567	0.9
95.03780	4.3
96.04604	1.3
96.08186	1.8
101.02444	4.6
104.05072	3.4
106.06629	7.8
108.04559	1.0
113.02456	3.9
119.03522	4.9
120.67775	1.1
122.06121	4.5
123.03317	1.3
124.07705	10.0
132.04570	56.3
133.05362	30.9
134.06189	9.3
138.05614	1.2
148.04059	3.8
149.04694	1.2
150.05611	3.1
153.09276	2.6
165.04333	32.4
166.04836	1.5
176.03499	1.8
176.07202	1.9
177.04312	5.7
178.05089	2.2
184.07747	1.2
186.09247	5.8
198.09256	1.9
200.82828	1.0
209.03287	8.4
213.06696	5.4
213.11296	2.0
214.12405	10.5
215.11897	11.1
226.07552	2.1
229.09833	5.8
240.10364	2.7
241.09804	5.5
257.12958	44.3
258.13287	4.2
283.10870	12.1
301.11935	32.6
302.12271	3.0
327.09940	3.3
345.10931	100.0
345.15311	4.2
346.11349	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	345.1093
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
51.14421	1.2
57.64660	1.1
59.01377	2.9
59.53992	1.2
59.58173	0.9
62.99426	1.1
69.55294	7.2
71.01377	1.9
75.08695	1.1
84.04562	1.8
95.03792	2.5
96.08195	1.4
98.01157	0.9
98.20712	2.2
101.73120	0.9
104.85085	1.1
106.06657	5.5
107.39767	1.1
113.02432	1.7
120.65014	0.9
120.99655	2.8
122.06122	3.0
124.07665	9.3
132.04568	36.1
133.05379	26.8
134.06194	5.1
138.38669	1.4
147.43825	1.0
148.04085	2.8
150.05649	1.8
151.58261	1.2
153.09235	1.3
164.91693	1.2
165.04317	20.1
166.04697	1.6
176.68004	1.2
177.04323	4.6
184.07802	1.8
186.09288	3.0
187.08672	1.3
209.03352	4.3
213.06740	4.4
213.11354	4.0
214.12401	6.6
215.11887	8.8
216.12126	1.2
226.07295	1.1
229.09769	3.2
240.10349	1.3
241.09810	3.2
255.11449	1.3
257.12979	24.1
258.13306	2.3
283.10858	9.6
301.11954	20.5
302.12161	2.2
345.10941	100.0
345.15063	3.7
346.11331	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	345.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01381	3.0
61.61111	1.0
63.02415	4.5
65.00328	3.3
71.55009	1.6
75.97697	1.0
79.95733	1.2
83.01401	3.8
95.01402	2.5
95.95273	1.4
96.96003	1.3
102.21439	0.9
107.01401	8.6
107.05008	1.0
107.97415	0.8
108.02198	1.1
110.00117	1.6
111.00909	1.4
123.00903	1.9
123.04549	1.4
124.01694	5.2
125.02470	8.7
136.01637	1.6
139.00406	2.7
149.02457	0.9
150.03233	1.8
151.00401	17.0
152.01170	1.9
162.71033	0.9
163.04053	1.6
164.01093	0.9
165.01930	3.3
168.97899	0.8
169.01472	1.7
173.06134	0.9
177.01942	10.5
178.02693	2.8
184.68089	0.9
186.95569	1.2
187.03941	0.9
189.01938	2.1
216.04169	1.0
227.03447	1.1
229.05019	1.3
232.03802	4.0
241.05244	1.6
247.06187	2.3
248.95952	1.0
255.06706	1.3
256.03745	1.1
260.07202	1.0
269.04700	1.9
271.06125	1.6
272.03329	2.7
285.04022	0.9
287.05740	3.4
290.97183	2.8
297.03986	5.0
299.02246	1.2
299.05420	2.1
300.02795	9.4
301.07178	1.8
315.05096	29.7
316.05380	3.5
329.06677	4.1
330.07434	9.5
331.07797	1.1
344.25107	1.5
345.09827	100.0
345.17328	3.1
345.25494	1.9
346.10117	13.4
346.13849	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	345.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.6
59.01358	0.9
60.40330	0.5
63.02406	8.7
65.00340	3.0
69.76255	1.8
82.39284	0.4
82.55037	0.4
83.00939	0.4
83.01393	6.3
95.01347	0.8
95.76098	0.4
107.01402	14.5
107.05002	0.4
108.02196	1.0
109.02943	0.6
123.00906	0.6
124.01698	2.6
125.02467	4.0
136.01634	1.0
137.02415	1.1
149.99577	0.8
151.00381	30.2
152.00885	1.4
159.04480	0.7
164.01187	2.0
165.01947	2.8
169.01437	2.2
177.01939	6.3
189.01929	1.0
196.00156	0.6
203.03413	0.5
214.02585	0.9
216.04115	0.4
227.03532	0.8
228.04248	0.8
229.01468	0.5
229.05072	0.5
230.02197	0.5
232.03749	2.1
244.03857	0.5
247.06113	0.4
255.03178	0.6
256.03821	0.9
257.08099	0.6
269.11850	0.8
271.02631	0.9
271.06076	0.6
272.03198	1.5
273.03973	0.5
283.02551	3.5
284.03262	0.8
285.00504	0.9
285.03928	0.8
287.05707	2.0
290.96927	0.5
297.04007	2.0
299.01901	1.1
300.02759	7.5
301.03284	0.9
301.07007	0.9
313.10883	0.8
315.05124	56.5
316.05472	5.8
329.06781	3.3
330.07468	9.6
331.07718	0.9
345.09811	100.0
345.30133	1.3
346.10141	12.8
346.14401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89449	2.0
54.79744	2.1
59.01382	4.6
71.67634	1.7
80.02700	3.1
81.03477	1.7
95.01380	5.3
96.96044	2.7
107.01384	4.5
108.02184	30.7
115.68844	1.9
116.48174	2.1
121.02946	3.0
122.03777	2.9
123.00904	25.2
123.04514	16.1
135.00871	5.2
136.01660	3.8
137.02452	18.4
138.03210	8.1
139.00421	2.5
148.01649	2.5
150.03232	2.4
151.00389	15.2
151.04007	5.5
155.54655	2.4
158.03766	3.8
161.02533	2.1
163.00395	3.1
164.01175	12.6
165.01926	19.0
165.05566	5.3
166.02759	8.7
167.03487	5.1
179.03526	11.9
180.04221	7.4
182.02269	3.5
182.03693	3.2
183.04478	2.1
184.05312	10.7
185.02422	5.7
186.03238	14.2
189.01929	4.5
195.04526	6.1
195.06631	1.8
197.06078	2.5
198.03223	16.0
199.03850	4.2
200.04701	3.7
201.01894	5.9
201.05579	2.1
205.12355	4.9
210.03207	14.8
211.03958	20.8
212.04819	12.8
213.01941	59.0
213.05530	6.9
214.02678	22.7
215.03436	1.7
224.92816	1.8
225.01939	7.7
225.05579	99.5
226.02724	20.3
226.05940	8.8
227.03455	15.7
227.07155	4.5
228.00726	3.0
228.04282	7.7
229.01425	9.2
229.05083	3.5
229.34346	2.2
239.03488	9.5
240.04308	9.7
241.01427	11.0
241.05093	26.5
242.02090	7.3
242.05678	6.0
243.02908	6.0
243.06601	5.3
248.96053	4.8
254.01999	3.1
255.06645	100.0
256.03784	20.7
256.06973	8.2
257.00925	16.8
257.04105	4.3
257.08276	14.7
263.16663	3.1
268.00168	2.0
269.04556	41.6
269.11923	2.6
270.01672	11.6
270.04935	5.7
271.06143	56.8
272.06625	6.3
285.04059	27.0
285.07678	16.6
286.05411	2.0
286.08487	15.6
287.05630	7.9
287.08838	2.7
290.97147	10.3
297.04031	11.9
299.05652	25.2
300.06354	22.5
302.08014	4.7
309.20850	2.3
312.06378	5.4
315.04910	6.7
315.08646	4.5
329.06631	4.1
330.07269	12.0
345.09796	69.7
345.17123	7.6
346.10248	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	345.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37947	10.8
59.01394	85.3
62.00695	9.5
69.03443	9.6
69.95810	45.8
71.01381	49.3
73.02969	11.2
74.02459	13.3
84.87690	11.2
87.05647	23.9
89.02452	25.1
93.03443	15.7
93.71446	10.1
95.01392	16.0
99.05650	21.8
101.02418	16.5
103.05533	24.8
109.02959	11.6
113.02415	17.5
121.06590	26.8
123.00890	72.8
123.04517	16.7
124.01655	39.6
124.07749	12.5
128.10817	12.6
137.02495	10.7
138.03214	17.9
138.25673	11.2
139.04008	42.7
144.31107	12.9
152.21149	10.2
161.08199	17.1
163.04060	11.7
165.01909	10.4
165.05568	25.8
166.99847	80.2
168.00609	34.1
173.04828	9.9
182.02203	78.9
183.03003	100.0
223.70555	10.8
316.15094	17.1
326.88852	12.0
345.08203	81.8
345.11884	40.4
346.16077	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.00939	0.3
57.03443	0.5
59.01379	3.3
64.03166	0.3
69.03461	0.7
71.01389	0.6
71.55085	0.5
73.85204	0.3
83.05030	1.1
89.02454	0.4
97.06587	0.8
99.07544	0.6
99.08167	5.6
99.82320	0.3
109.06591	0.9
111.08152	0.4
120.82264	0.4
121.10246	6.2
123.04507	0.3
125.09727	1.5
127.11279	1.0
134.04697	0.5
137.09744	1.8
139.11313	1.4
149.13335	0.4
153.09183	0.8
153.12869	0.4
162.02838	0.7
163.02950	0.4
165.01985	0.5
165.05508	0.5
165.09222	0.4
165.12827	0.7
171.10286	39.4
172.10606	2.0
175.11282	0.7
178.99870	0.4
193.10771	0.5
193.12376	8.5
194.12657	0.6
201.02576	0.9
207.06708	0.4
211.04152	0.3
211.13452	2.4
225.14978	11.0
225.67821	0.4
226.15314	1.1
240.04198	0.8
243.16002	4.3
268.03754	4.1
269.04242	0.7
277.65750	0.4
283.06158	3.7
284.06549	0.5
284.41644	0.3
289.18155	5.6
290.18304	0.8
293.21164	2.8
307.19266	0.4
307.22696	0.4
311.22263	0.6
313.02972	1.2
313.06329	0.8
325.24026	0.8
328.05695	1.5
343.08096	1.8
343.24902	100.0
344.25278	12.7
344.29398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01390	3.7
61.35434	0.5
61.98829	0.6
64.38589	0.5
65.26318	0.5
69.66439	2.7
71.79982	0.5
79.75709	0.5
86.33131	0.5
95.03004	0.5
98.19995	1.1
99.08199	0.8
115.51299	0.4
118.85311	0.6
121.02968	1.1
121.10251	9.2
125.09715	0.9
127.11311	2.4
132.02170	0.8
137.09740	2.3
138.50357	0.5
139.11322	5.4
146.18291	0.5
153.09207	0.6
157.06598	3.9
161.02495	0.9
163.02946	0.8
165.09251	1.0
170.03752	4.2
171.10284	68.4
172.10638	3.7
173.02414	0.9
173.06102	6.8
184.05280	1.0
185.06093	2.6
188.14075	0.5
195.09979	0.6
198.03218	7.0
199.03848	0.6
201.02551	0.8
201.05666	0.9
203.03592	0.7
203.07152	2.3
204.04259	0.8
204.60764	0.5
213.05574	1.5
214.02777	2.4
215.03474	1.0
226.02727	6.0
227.03343	0.8
229.05125	1.5
236.03288	1.3
241.05106	11.6
242.02406	0.6
242.05373	1.1
243.02992	0.7
244.07343	0.6
254.02242	1.2
257.04639	1.3
268.03729	1.5
269.04602	1.3
271.02457	1.0
283.06161	1.8
284.06973	0.6
285.04089	1.1
293.21289	1.2
298.01105	0.8
299.02005	0.7
309.55814	0.5
313.03531	15.4
314.03860	2.0
328.05875	29.2
329.06171	3.1
343.00952	1.9
343.08286	15.3
343.15771	7.3
343.24893	100.0
344.08542	2.6
344.15866	0.6
344.25272	12.3
344.29434	0.6
347.70938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01374	1.7
69.03458	1.8
69.94721	1.8
83.05009	1.7
99.08166	10.8
100.83784	0.5
121.10215	0.6
125.09721	1.9
137.09717	1.6
139.11293	0.5
149.13354	0.8
151.11243	0.6
153.92992	0.6
161.02495	0.8
163.80133	0.5
165.12872	0.7
171.10278	6.4
175.11322	0.6
185.11809	0.7
186.83575	0.5
193.12354	18.1
194.12718	1.2
197.15508	0.9
211.13380	4.2
225.14975	26.4
226.15302	2.1
243.16019	11.2
264.96567	0.6
293.21194	1.8
311.02106	1.7
311.22156	0.9
313.03326	1.0
313.06497	0.8
325.23907	0.9
328.05627	1.2
343.24896	100.0
343.93219	1.1
344.25247	12.7
344.29010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44668	0.5
57.03453	2.2
58.06973	0.5
59.01382	4.9
69.03468	1.0
69.40093	3.7
71.01388	1.5
71.05025	0.8
72.26183	0.5
73.02931	0.9
80.02704	0.8
81.03455	0.7
83.05025	2.0
84.02187	1.3
85.02960	3.8
85.06593	0.8
87.04549	1.2
88.51810	0.5
91.01868	0.6
93.03526	0.5
95.05030	1.8
95.86835	0.4
97.02960	1.6
97.06590	3.5
99.04523	1.0
100.30608	0.5
108.02221	0.7
109.06586	0.9
111.08167	1.1
123.08158	1.9
125.09725	1.9
127.11311	0.7
135.00888	2.0
136.01674	0.7
137.09731	1.7
141.09200	2.9
141.12808	0.7
149.02432	0.5
149.09784	0.7
151.11345	0.7
155.10800	1.3
163.11299	1.0
167.10747	0.5
169.12282	0.5
171.10265	4.2
177.01988	0.9
181.12354	6.8
182.04634	0.7
185.11813	1.0
187.09769	2.8
201.11385	0.8
209.11841	2.0
211.13426	1.9
227.12865	2.6
229.14490	2.6
237.14836	2.8
245.13965	1.1
255.12529	0.6
271.09821	0.9
299.05499	0.6
311.05328	0.6
313.03571	2.0
325.20438	2.6
328.05933	1.7
343.08319	7.6
343.21265	100.0
344.08762	0.9
344.21591	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	343.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36821	1.2
54.29472	1.2
57.03440	3.0
59.01387	100.0
60.01723	1.2
68.99828	9.2
69.50249	4.2
69.50639	2.7
71.01392	11.8
80.05064	11.1
83.04977	1.8
85.02961	2.8
94.53747	1.2
97.06614	1.5
110.03775	1.7
111.08181	3.7
118.24377	1.3
123.08204	7.8
123.08971	1.7
129.09164	1.3
132.04552	23.8
133.03009	1.4
133.04880	1.6
135.08160	1.6
136.07674	20.0
137.09724	3.1
141.09206	1.5
148.01712	2.1
149.99586	2.9
150.05611	9.7
155.10786	3.2
164.66925	1.3
165.09203	1.3
177.09204	3.2
180.05638	1.2
186.03227	5.5
193.12436	3.0
195.10332	1.6
199.03987	1.2
199.48514	1.1
211.13365	2.2
214.02739	25.8
215.03011	1.7
226.02789	3.6
229.05022	3.4
242.02242	29.9
243.02644	1.7
247.17065	3.8
254.02304	3.3
255.08698	3.0
257.04608	27.7
265.18112	9.2
270.01791	6.6
281.12964	12.9
283.19360	2.4
285.03931	2.5
298.01172	4.8
299.14008	11.7
300.14417	1.8
301.20221	9.9
302.20526	2.1
313.03607	44.5
313.07248	2.5
314.03824	4.4
325.20258	7.7
328.02255	4.9
328.05875	63.0
329.06302	6.8
343.04559	9.3
343.08264	42.6
343.21271	92.2
344.04932	2.0
344.08472	6.7
344.21472	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	343.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
59.01384	23.1
61.01787	0.6
61.98841	3.8
64.37595	0.5
64.42435	0.5
67.14591	0.4
70.58572	0.5
71.01385	9.0
71.01740	0.9
72.00911	1.9
73.02936	1.0
76.21515	0.6
83.01405	0.5
85.02961	2.0
87.00883	1.5
87.24005	0.5
89.02464	7.2
92.05070	1.4
93.03468	2.1
95.01395	0.7
99.00895	1.8
101.02457	4.9
108.04597	0.6
109.02960	1.5
113.02440	2.5
116.46446	0.6
119.03576	3.3
119.05037	100.0
120.04553	3.2
120.05373	4.8
121.02970	53.7
122.03323	2.3
122.06093	1.2
123.00909	1.5
123.04530	0.5
135.04489	0.6
137.02443	1.0
138.03247	1.2
138.05597	5.7
139.04030	1.9
157.28009	0.5
161.04604	1.2
163.04018	3.0
164.03537	9.1
173.04552	1.4
179.05736	1.1
181.05077	20.0
182.05481	0.8
184.97699	0.5
191.30193	0.7
194.92538	0.5
195.08165	1.4
201.02553	1.9
209.09772	1.8
221.09679	3.0
283.10211	0.8
287.52057	0.6
300.10950	2.0
326.10339	2.3
343.09564	6.7
343.13187	5.2
344.09933	11.4
344.13525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65014	0.8
59.01114	1.0
59.01388	17.2
69.27888	0.8
71.01379	2.2
73.98405	0.7
79.46626	0.9
86.37280	0.8
111.08149	0.8
121.03023	0.9
123.08130	1.5
126.89601	0.8
132.04497	1.0
135.84329	0.8
148.01677	11.8
149.99611	5.0
163.04028	1.6
165.22871	0.8
168.10500	0.9
170.03725	1.1
177.01917	1.6
182.03743	4.3
186.03291	1.8
197.02582	0.8
198.03215	5.6
201.01988	1.0
210.03238	2.6
213.01758	1.0
214.02698	4.7
225.77432	0.9
226.02740	15.8
227.03120	1.9
241.05168	1.0
242.02274	12.2
253.01498	1.1
254.02208	3.6
257.04590	3.7
265.18115	1.4
269.00897	1.3
269.04492	1.9
270.01727	16.7
285.04068	25.3
286.04456	2.6
295.02420	1.2
298.01175	19.0
299.01462	1.9
301.20084	1.0
312.02792	1.1
313.03564	68.5
314.03900	8.8
325.19995	1.2
328.05890	100.0
329.06235	10.4
343.04645	3.4
343.08237	68.4
343.21271	21.1
343.24982	0.9
344.08521	9.0
344.21527	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	343.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
58.34744	0.7
59.01117	1.1
59.01389	17.2
59.78411	0.7
65.00310	0.8
71.01379	2.7
95.55943	0.7
96.86131	0.9
117.18352	0.9
123.08194	1.5
148.01669	13.4
148.56346	0.7
149.99602	5.3
157.03099	0.7
163.04016	1.5
170.03712	1.0
171.10310	0.9
182.03734	5.0
186.03308	0.9
198.03210	7.1
210.03215	2.9
211.03781	0.8
213.01869	0.9
214.02768	5.0
226.02742	16.2
227.03214	1.6
229.01491	1.3
241.05098	1.4
242.02226	11.2
243.02663	1.4
247.17085	1.0
253.01529	1.1
254.02200	2.6
255.02394	1.3
257.04617	4.2
269.00943	1.9
269.04636	1.8
270.01709	12.7
271.02066	1.6
281.00900	1.0
281.13397	0.9
285.04068	24.2
285.16818	0.9
286.04501	1.7
295.02539	1.1
297.00360	1.2
298.01212	19.5
299.01672	1.4
313.03564	70.9
314.03943	7.8
325.19861	1.2
327.05084	1.4
328.05896	100.0
329.06226	10.8
343.04715	3.7
343.08246	69.6
343.21246	22.8
344.08655	6.5
344.21631	2.8
353.01999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30568	0.9
59.01381	7.1
71.55003	1.4
78.95929	1.2
80.04105	1.0
80.26225	1.1
91.74128	0.9
99.96790	1.0
107.01395	2.0
108.02196	2.2
109.02816	1.0
117.03468	1.5
121.02983	1.8
121.10228	4.4
121.25097	1.1
123.00837	1.9
132.02142	1.6
139.05679	0.9
139.11292	1.6
141.12813	1.0
147.04485	1.1
156.05838	1.1
157.06590	10.1
161.02391	1.7
162.02835	1.1
169.02998	1.5
170.03760	11.9
171.04286	1.3
171.10292	28.2
173.02486	1.0
173.06104	25.2
174.06450	1.5
178.02821	1.1
184.05284	2.5
185.06107	9.9
186.03226	1.7
198.03242	21.3
199.03613	2.1
201.02361	2.3
201.05493	2.2
203.07179	8.1
204.04305	2.2
213.05574	5.7
214.02730	8.4
214.05896	1.2
215.03418	2.1
225.05588	1.1
226.02728	22.0
227.03099	2.1
229.05013	4.3
231.06683	2.6
236.03242	3.8
241.05083	35.2
242.02293	1.5
242.05382	2.5
244.07390	1.2
254.02284	4.6
257.04510	3.3
268.03769	2.1
269.04547	2.4
271.02243	1.2
283.06241	2.2
285.04089	2.5
298.01196	3.0
313.00748	1.2
313.03537	48.8
314.03833	5.4
328.05881	100.0
329.06247	10.0
343.01392	1.7
343.08231	60.9
343.15314	24.3
343.24884	45.2
343.28558	4.6
344.08731	6.1
344.15939	2.8
344.25250	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	343.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	36.6
66.34385	0.8
68.99861	0.9
69.32096	0.9
69.32424	9.5
70.72379	0.8
71.01413	1.2
77.10455	0.8
77.67340	0.9
78.97457	0.9
81.98660	1.0
82.19736	0.8
83.05042	1.3
85.02979	2.6
89.01602	0.8
89.83546	1.0
93.03468	22.5
94.72340	0.8
95.01414	1.4
97.06619	2.6
98.20694	2.0
105.11375	0.9
108.02179	10.2
109.06503	1.0
121.02948	7.3
123.08167	1.8
125.09728	1.0
135.04517	1.5
137.09758	1.6
151.04047	6.6
153.01973	1.1
165.12874	1.1
167.10728	2.7
171.10333	1.9
211.07645	16.4
212.08435	60.3
213.08795	5.4
227.10799	88.4
228.11099	7.8
271.09775	100.0
272.10095	10.1
299.09332	0.9
310.04828	1.2
325.07135	2.5
325.20331	2.3
343.08234	3.9
343.17639	2.5
343.21268	42.7
344.21548	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	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
69.69448	3.4
71.01391	0.8
85.02969	0.6
87.04552	0.5
93.03474	3.5
95.01427	0.5
108.02190	4.1
121.02920	1.4
123.00910	0.7
123.04515	1.5
123.74548	0.6
124.91673	0.6
127.11259	0.7
132.02190	2.8
136.01633	0.9
147.04500	1.0
148.01682	0.8
151.04037	1.7
160.01648	2.5
163.00371	1.7
163.04062	0.7
164.01167	10.6
164.64420	0.6
167.03552	1.2
171.04517	1.5
171.10254	1.8
175.04016	3.1
177.01949	9.0
178.02675	2.1
179.03529	3.3
192.04333	0.8
193.05048	1.9
195.04533	3.9
197.06071	0.9
199.04025	1.9
201.11443	0.9
211.03951	3.8
211.07677	2.3
212.08424	8.2
213.05574	1.7
222.03310	1.8
223.04031	2.8
225.01823	0.8
225.05550	1.1
225.11423	0.6
226.02493	0.8
226.06192	1.2
227.03485	2.0
227.10777	12.2
228.11113	0.9
237.05612	2.4
237.15369	0.7
239.03513	21.8
239.07150	1.0
240.03961	2.6
241.04991	4.0
250.02750	1.2
251.03508	5.7
253.01418	1.4
254.05917	6.8
255.06660	0.9
256.03809	1.1
256.07361	1.6
257.04581	1.9
258.05283	3.0
265.05096	1.5
266.02280	5.1
267.02988	14.8
268.03293	0.9
269.04559	2.2
271.09775	15.5
272.10117	2.3
278.02118	3.0
279.02969	3.8
280.03635	1.1
281.04550	7.1
282.05325	11.7
283.05573	1.3
284.06921	5.5
285.07391	1.0
293.04599	3.8
294.01773	11.0
294.05066	1.7
295.02493	23.7
296.02805	2.3
297.07791	7.6
299.05576	1.9
299.09280	2.8
309.04059	19.7
310.04816	29.2
311.05203	3.3
315.08728	2.7
323.96942	0.8
325.07193	100.0
326.07523	12.2
328.05716	0.7
343.08264	6.4
343.21268	10.0
343.25046	1.2
344.08603	0.8
344.21530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01383	8.6
70.67368	1.1
71.01382	2.0
71.55074	1.0
71.55437	1.1
121.02962	1.9
123.00905	1.2
124.01661	3.0
137.02563	1.3
143.10832	1.9
149.02437	1.4
154.04277	2.1
169.06543	1.5
170.03728	7.9
171.10292	2.8
173.06084	3.7
182.03757	1.3
185.02399	1.5
185.06090	2.1
186.03249	4.0
198.03273	19.9
201.05452	1.8
213.01968	3.8
213.05592	3.2
214.02747	9.1
226.02768	2.7
229.05145	6.7
231.06651	2.4
239.10966	1.3
241.04961	2.1
242.02232	17.2
254.02231	2.3
255.33760	1.1
256.03531	1.3
257.04608	25.4
258.04703	2.1
269.01071	1.5
269.04507	4.3
269.07181	1.3
270.01678	12.6
281.08359	1.8
284.03168	2.0
285.04114	23.7
286.04443	2.4
297.00552	1.8
298.01239	17.6
300.06403	3.5
313.03528	46.0
314.03763	2.8
325.07437	2.0
325.10837	3.8
327.05078	3.7
328.05875	100.0
329.06235	11.5
343.08228	89.2
343.11652	3.7
343.21365	7.8
343.24905	2.5
343.28653	2.8
344.08560	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	343.0825
Annotation	Quercetin 3,5,3'-trimethyl ether
Peak:m/z	Relative Intensity
50.75176	0.4
56.70570	0.5
57.03447	1.0
59.01384	3.4
61.31061	0.4
63.02362	0.4
65.00318	0.9
67.01883	1.0
68.99796	0.4
69.03440	1.0
69.46879	3.1
72.08190	0.5
80.39727	0.5
83.01368	0.9
83.05021	0.8
90.02319	0.4
91.01896	1.8
95.01369	1.4
96.96017	5.0
97.06591	0.5
99.08180	3.9
107.01390	1.9
108.02171	2.5
109.02975	0.7
123.00896	1.3
123.04573	2.5
124.01694	3.6
125.02460	7.9
133.02901	1.0
135.00851	2.2
137.02420	1.9
138.03235	0.6
139.03946	0.6
143.10774	0.7
148.01665	1.5
149.02429	1.7
150.03220	3.2
151.00392	3.3
153.01868	0.8
161.02461	10.8
162.02792	8.0
163.00453	0.8
163.02954	6.3
165.01892	0.9
171.10217	2.3
175.04008	0.7
176.01144	2.0
177.01927	2.3
178.02713	2.9
183.04462	0.6
188.04549	0.6
189.01935	1.6
190.02589	0.6
191.03400	0.7
193.05054	3.4
193.12318	5.7
198.03172	1.4
199.03932	0.9
201.02391	1.5
203.03494	0.7
204.00642	3.2
211.03897	0.7
211.13496	1.3
213.05681	0.7
214.02620	0.8
215.03355	0.6
219.02951	2.6
225.05504	0.8
225.14961	7.0
226.02687	2.0
227.03436	2.1
228.04041	0.7
229.04921	0.6
239.03345	0.6
239.10760	3.1
241.05064	4.3
242.02171	1.7
243.02773	0.6
243.16014	3.7
244.03682	0.6
245.04552	1.2
252.04108	0.8
253.01358	1.1
254.02098	1.2
255.02893	0.8
257.04562	1.4
267.02917	0.9
268.03677	1.3
269.04553	5.4
270.01718	9.9
270.04614	0.8
271.02142	1.5
281.00873	0.5
282.01752	3.5
283.02448	1.2
283.09781	2.7
284.03140	1.3
284.06784	2.8
285.04044	19.0
286.04294	1.5
293.21152	0.5
295.02383	0.7
297.04074	13.1
298.01266	0.8
298.04456	2.5
299.05594	2.4
312.02692	1.2
312.06088	1.2
313.03415	12.4
313.06381	5.9
314.03668	1.1
327.05069	2.4
328.05676	24.6
328.08420	2.6
329.06003	2.4
343.08148	100.0
343.24860	30.4
343.28406	1.4
344.08551	10.8
344.25146	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	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	86.0
60.01723	1.2
61.98820	0.4
71.03796	0.5
86.10000	0.2
96.77299	0.3
97.00181	0.3
115.02512	0.3
124.36633	0.2
132.49139	0.3
136.44627	0.2
136.94000	0.3
157.03578	7.4
158.03822	0.4
159.01518	2.8
178.95084	0.6
201.02563	100.0
202.02745	9.8
255.93463	0.3
343.03821	2.0
344.03961	0.5
355.92007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73196	0.5
60.84138	0.6
62.49995	0.6
63.02401	8.7
63.04652	0.5
65.00335	3.4
70.29250	1.1
70.29613	1.2
70.70123	0.5
83.01398	6.2
90.27159	0.5
91.45691	0.5
107.01400	12.6
124.01681	0.7
124.51503	0.6
125.02442	1.4
147.04665	0.6
149.99567	0.7
150.03174	0.8
151.00386	34.3
152.00945	2.0
161.02492	0.8
162.93063	0.5
165.01958	2.1
169.01508	2.6
175.03943	0.9
177.01941	11.0
178.02368	0.7
189.01813	0.7
190.02757	0.8
202.02774	0.8
203.03566	3.9
204.11504	0.6
227.03525	0.7
243.03142	0.9
245.04359	1.1
285.04025	4.5
299.05579	3.9
313.03558	33.8
314.03897	2.9
325.07236	0.7
327.05148	8.5
328.05920	15.5
329.06235	1.1
343.08240	100.0
344.08588	13.3
351.09665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0824
Annotation	Trypacidin
Peak:m/z	Relative Intensity
57.73524	0.3
59.01372	0.6
61.71001	0.4
65.00343	0.5
65.18569	0.3
70.63097	0.8
70.63496	0.6
81.88802	0.4
83.01418	0.5
148.01695	1.6
151.00375	0.7
161.02417	0.9
163.00241	0.4
163.03973	0.4
185.02373	0.4
186.03157	0.8
188.01157	0.6
198.03276	2.8
199.03886	0.6
200.01184	0.4
201.01875	2.0
202.02670	1.3
203.03474	0.4
213.01912	0.6
214.02711	2.3
217.05014	0.6
226.02731	3.9
227.03352	1.1
229.01402	1.0
230.02217	1.3
240.04384	0.5
241.05144	0.4
242.02234	3.3
245.04536	1.7
253.01385	2.9
254.02142	1.4
255.02898	0.5
256.03644	0.4
269.00928	0.4
269.04718	0.7
270.01703	16.6
271.02100	1.7
281.00900	1.1
283.02600	0.7
284.03162	1.2
285.04059	19.8
285.14993	0.3
286.04471	1.5
297.00784	0.6
297.04016	2.1
298.01138	1.2
299.02563	0.4
299.05554	2.2
312.02521	0.9
313.03552	100.0
314.03906	10.3
327.05054	6.2
328.05869	15.3
329.06186	1.6
343.08234	91.6
344.08569	10.4
344.12607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2699
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
57.03456	0.8
58.56269	0.5
59.01371	2.2
60.28482	0.5
66.51237	0.6
67.41720	0.6
70.72364	1.6
71.01379	0.7
76.59911	0.5
78.42276	0.7
83.05007	0.6
89.02442	1.3
101.02464	0.9
104.72559	0.6
119.03488	0.9
133.02896	0.6
160.48909	0.5
161.02451	5.4
225.09193	1.2
226.09573	2.3
227.09929	4.0
239.09943	0.7
277.25452	1.4
279.26947	65.6
280.27274	8.9
281.04828	0.6
295.17014	0.8
297.17694	5.2
297.24850	0.7
297.27991	2.0
311.05615	1.8
323.25922	20.5
323.29749	1.0
324.26346	3.0
326.07953	1.0
341.10416	1.3
341.16830	8.2
341.26974	100.0
342.17001	0.7
342.27368	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	342.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86415	0.6
59.01387	3.9
61.11037	0.6
67.01890	0.7
69.59821	1.4
69.60223	2.4
71.01407	0.7
74.00684	0.8
83.27408	0.7
99.88210	0.6
116.01765	3.4
121.02789	0.7
122.03757	2.0
126.05093	1.1
138.01448	1.4
142.00911	3.3
152.03027	2.9
154.25139	0.6
166.57384	0.6
169.10579	35.1
170.10919	2.7
171.10320	0.7
179.10799	11.8
180.11174	0.8
187.09816	1.7
195.08505	33.3
196.08841	2.6
213.09567	100.0
214.09886	7.3
239.10896	0.9
240.11127	2.2
245.13966	2.4
284.02835	1.4
312.02380	2.7
313.02957	0.7
325.11011	1.6
325.20010	0.7
327.04807	4.3
328.02283	1.0
337.36316	0.6
342.07056	3.3
342.14148	1.4
343.04443	0.8
343.08188	0.8
343.11975	1.1
343.21167	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	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
58.84501	0.4
59.01385	1.2
69.03455	3.6
70.82986	0.4
71.00497	0.8
71.01406	0.6
83.05036	1.6
84.02165	4.1
85.02953	0.7
97.02966	1.1
97.06599	14.2
99.04539	1.1
119.08638	0.5
125.09708	1.2
135.11641	0.5
137.09711	1.6
149.13376	0.6
165.12865	1.1
171.10275	10.7
175.11261	1.1
183.13928	1.0
185.11891	0.7
193.12343	19.3
193.14146	1.0
194.12737	1.1
207.13945	0.6
211.13387	3.7
221.11722	0.8
225.14970	26.4
226.15326	2.4
243.16010	11.9
244.16357	1.5
253.14464	1.0
272.16431	0.7
291.19745	2.0
295.99704	1.3
311.02023	1.8
323.22272	1.0
326.04395	1.0
341.23337	100.0
342.23657	12.1
357.71356	0.5
364.19852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.8
59.01382	35.5
59.79998	2.2
69.03464	9.1
69.31068	19.6
71.01391	19.5
71.05023	35.9
73.02938	3.0
74.29335	2.2
81.03468	32.5
83.05035	24.5
85.02966	10.0
87.00856	2.2
87.04552	3.4
89.02461	21.3
93.03469	4.4
95.01392	4.5
95.05029	17.1
97.02956	4.8
97.06589	5.5
98.03716	2.9
98.20653	5.1
99.04526	45.7
101.02478	7.8
101.06108	7.7
107.05106	2.2
108.02206	2.7
109.02972	5.6
109.06612	9.3
111.04532	10.0
111.89537	2.2
113.02457	7.1
116.38266	2.4
119.03496	5.6
121.02998	3.6
121.06609	4.4
123.08144	4.6
125.09755	5.1
133.06592	4.4
136.07675	19.1
143.03516	3.0
151.07678	17.9
153.09198	4.3
155.10797	5.1
160.04030	4.9
161.02428	7.1
164.05818	2.3
165.12816	2.3
171.10289	40.9
179.05653	4.7
185.11853	5.1
189.12900	4.7
191.14438	3.7
192.06628	15.5
193.12337	23.8
195.13913	2.7
199.11526	2.6
199.13387	4.2
201.11307	3.3
207.13860	2.8
209.11908	6.1
211.13380	5.6
221.11835	4.1
223.13528	5.6
224.24257	2.2
233.11882	3.1
235.13393	52.6
236.13715	4.4
239.10602	2.5
239.12802	5.3
243.17584	5.5
253.14470	100.0
254.14801	7.8
267.02841	3.4
282.05289	4.0
287.16489	20.2
288.16928	3.2
305.17599	15.8
311.05832	3.5
323.18686	8.5
326.04245	5.2
341.06555	8.3
341.10748	10.8
341.15060	10.5
341.19678	31.2
341.23325	4.4
342.07422	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	341.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68169	0.5
57.03403	0.5
58.04766	0.4
59.01384	5.1
59.43824	0.5
67.01896	25.3
68.99808	0.8
69.87578	0.7
69.87988	1.3
71.01388	2.9
75.43993	0.4
79.05515	0.4
89.02445	3.7
95.01350	0.5
101.02409	1.5
101.04098	0.4
101.67332	0.5
107.05057	2.6
113.02420	1.4
116.01751	0.5
117.03439	0.7
119.03490	1.1
121.02979	0.8
122.03729	0.6
124.75076	0.5
133.02957	0.6
135.00877	0.5
135.04475	0.9
136.05331	0.5
137.02440	0.7
137.09721	0.5
139.05496	0.5
148.05321	8.6
149.02467	0.4
151.00427	0.5
151.03976	0.6
157.02940	0.5
161.02408	1.2
161.04622	0.5
163.03989	1.7
167.05032	1.1
169.10545	4.6
171.04599	0.5
171.08144	1.0
173.06027	0.8
179.05600	1.2
179.10760	0.9
182.03699	1.1
183.04555	2.4
184.04884	0.5
185.02452	3.4
187.04010	0.7
188.08420	0.7
195.04492	1.2
195.07138	0.4
195.08546	4.3
195.11771	4.5
196.12236	0.5
197.02486	0.6
198.03203	0.7
199.04012	0.8
201.01901	1.6
209.09703	0.6
210.03226	2.1
211.04031	8.4
212.01167	1.5
212.04382	0.9
213.01921	4.1
213.09544	11.8
214.02606	0.6
215.03563	0.7
223.03958	2.9
224.04391	0.8
225.01918	0.7
225.05627	0.4
225.09189	2.5
226.02802	0.9
226.09662	0.5
227.03566	3.3
228.03845	0.5
229.04988	1.0
231.02794	0.4
237.01877	0.6
237.09273	0.5
238.02744	1.5
239.03563	10.3
239.10786	100.0
240.03938	1.1
240.11127	9.5
241.01482	3.1
242.01938	0.5
243.02988	2.3
254.02161	0.6
255.03006	6.0
259.02505	0.5
263.16611	2.0
267.03000	5.3
268.03482	0.5
269.04681	1.2
269.08267	0.5
270.05258	1.2
279.13901	6.2
280.14261	0.8
283.02499	22.7
283.09641	4.2
284.02869	2.2
297.04083	2.0
297.14966	15.8
297.18307	0.7
298.01416	0.7
298.04825	14.4
298.15387	1.6
299.05170	1.2
311.01974	17.6
312.02332	2.4
313.07288	0.5
323.13071	2.7
325.03595	1.5
326.04327	61.2
327.04700	6.5
341.06757	58.9
341.13892	55.4
341.19257	1.2
341.23145	1.3
342.07050	8.1
342.14160	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	341.1394
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
55.01873	1.6
59.01382	0.6
67.01894	3.1
67.39905	0.4
69.71944	1.1
69.72362	1.4
70.19706	0.4
71.01378	1.2
71.28098	0.4
77.03982	0.7
79.05540	2.9
89.02445	1.1
91.05548	0.8
95.05022	1.0
105.03469	2.4
107.05038	8.6
122.03763	0.9
129.07088	0.5
131.08627	1.0
133.02951	0.7
135.04581	2.5
136.05315	18.3
137.02434	0.5
137.05655	0.5
143.08708	0.4
148.05313	1.3
151.04008	0.9
157.06554	0.9
161.02461	7.7
162.02812	0.5
168.04292	0.5
169.06607	0.7
170.07375	1.6
171.08153	1.8
173.06085	1.3
175.07541	0.4
177.09219	0.7
179.03496	0.6
183.08167	2.3
183.11790	1.0
188.08406	3.4
189.08784	0.5
195.11745	0.9
209.09763	1.4
216.68164	0.4
225.09242	4.3
226.09981	1.6
227.10794	53.3
228.11133	5.2
235.09630	0.6
239.10789	11.9
240.11082	1.4
251.07155	1.3
252.07814	0.6
253.08673	1.5
261.12885	1.4
263.10812	1.3
269.08267	1.0
270.08905	0.7
271.09601	0.8
279.13913	24.4
280.14297	2.6
297.14996	1.5
305.11835	4.1
311.05576	2.5
323.12909	9.5
324.13147	1.2
326.04288	0.4
326.07813	2.0
341.13959	100.0
342.14301	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	341.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81420	0.3
59.01373	0.6
67.01897	7.3
68.63348	0.3
69.75982	1.8
71.01379	0.4
71.14233	0.3
73.68316	0.3
76.27788	0.3
79.05550	4.3
81.91399	0.3
83.91437	0.3
89.02451	0.6
90.44286	0.3
98.20583	0.5
107.05043	15.2
108.05379	0.4
121.03051	0.3
131.08661	0.9
134.03767	0.7
135.04550	2.6
136.05318	0.6
148.05324	2.8
149.02437	0.4
161.02481	4.6
171.08141	0.8
173.06075	2.2
181.10306	0.3
187.07707	0.4
188.08450	6.0
189.08762	0.5
193.08670	0.4
195.11806	1.5
203.07133	0.9
220.07396	0.7
222.19884	0.3
225.09229	4.1
226.10005	4.5
227.10767	5.1
228.11110	0.4
235.14828	0.4
239.10808	25.5
240.11099	2.1
263.10812	2.3
269.08234	1.1
279.13928	53.1
280.14249	6.8
297.14957	4.7
298.15457	0.5
311.05560	1.1
313.97284	0.3
317.78882	0.4
326.07953	1.2
329.96344	0.4
330.51303	0.4
341.13965	100.0
342.14285	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	78.6
58.03787	1.9
59.01385	4.0
62.78165	0.6
70.32363	1.8
70.32748	1.0
71.01390	2.9
86.59069	0.6
89.02452	3.7
93.03446	1.5
95.01400	1.0
101.02433	1.5
108.02173	1.1
113.02438	1.2
116.79018	0.5
119.03503	1.4
121.02970	1.5
123.00839	0.9
123.04510	0.9
131.73933	0.6
133.02986	1.4
148.01781	0.9
149.02475	0.8
149.06110	1.2
161.02466	29.6
162.02835	1.3
163.04103	0.7
165.02049	0.6
176.04807	1.1
177.09238	4.9
179.05534	0.9
187.09715	0.6
199.00751	0.8
211.07683	1.1
212.08427	5.6
224.08469	0.8
225.09184	3.0
227.10774	15.1
228.11090	1.5
239.10835	9.6
240.11203	1.4
254.19238	0.5
265.08493	0.6
268.48782	0.6
269.08737	0.6
283.09702	0.9
293.04492	0.9
297.14972	44.3
298.15384	4.3
311.02017	1.2
311.05600	11.1
312.05908	1.4
326.04434	0.8
326.07990	8.8
327.08383	0.9
341.10403	7.7
341.13953	100.0
342.10648	1.1
342.14313	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	341.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.7
56.36163	1.7
57.03449	3.2
59.01384	100.0
60.01714	1.8
62.56921	1.4
69.03464	1.9
70.02057	8.5
71.01387	56.9
71.01785	3.1
71.51028	1.4
72.99339	3.2
73.02953	43.3
75.00885	16.8
78.48668	1.5
78.76774	1.7
83.01395	13.0
85.02969	17.9
87.00890	7.1
89.02457	24.2
94.40562	1.7
95.01413	3.5
99.00888	3.7
101.02454	33.9
107.05047	2.8
113.02466	27.3
114.02804	1.9
117.03470	4.6
119.03518	6.7
119.05032	33.2
120.05364	1.9
125.02369	2.0
129.01950	5.4
131.03532	2.9
134.03752	48.2
135.04433	1.9
137.06084	3.4
138.05646	4.6
147.02960	4.2
149.06111	3.8
151.00381	8.7
159.03072	1.8
161.04524	5.2
163.04024	5.2
165.04060	31.4
165.05426	1.1
177.04068	5.6
178.02684	2.1
179.03627	1.6
179.05609	12.3
179.07091	3.1
193.05074	44.0
194.05452	3.1
195.05125	9.5
223.09726	3.3
234.54578	1.6
247.87903	1.5
281.10440	12.7
290.76465	2.0
291.09589	1.8
299.11411	4.8
341.05161	3.2
341.08466	3.6
341.12149	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	341.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06396	0.9
50.83974	0.9
55.01893	1.0
58.00587	1.4
58.26696	1.1
59.01386	100.0
60.01709	0.9
60.80246	1.0
65.25921	0.9
69.03466	1.9
69.17732	3.4
69.18147	7.3
71.01389	45.0
72.99307	1.5
73.02956	76.1
83.01390	20.7
85.02955	5.1
87.00895	1.1
89.02452	13.5
95.01396	1.7
97.02954	2.0
98.20715	2.2
99.00853	1.2
101.02454	52.3
107.05005	2.7
113.02461	11.6
119.03531	2.8
119.05037	20.6
120.05375	0.9
120.64465	1.0
121.02956	1.6
123.03269	2.0
125.02448	2.1
126.52219	0.9
131.03516	3.0
137.02440	1.3
137.06102	5.1
138.05624	28.7
143.03500	2.9
149.02507	1.4
149.04553	2.8
155.03470	2.0
161.02489	1.3
161.04576	7.9
179.10793	3.3
255.72418	1.0
268.81271	1.1
299.11618	1.1
341.06879	1.3
341.11896	4.6
342.12091	3.8
345.32346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Trehalose
Peak:m/z	Relative Intensity
56.76446	0.7
57.03439	1.2
58.00598	3.5
59.01386	100.0
60.01715	1.1
70.87218	1.6
70.87590	1.0
71.01389	70.8
72.99321	3.9
73.02953	2.0
75.00881	0.9
83.01409	1.8
85.02961	10.3
87.00882	3.8
89.02454	85.8
90.02792	1.3
95.01378	4.4
99.00914	1.0
101.02452	35.0
102.02747	1.0
107.03543	0.9
113.02467	26.1
114.02827	0.7
119.03518	29.6
120.03863	1.2
120.41695	0.8
131.03523	5.8
142.73912	0.8
143.03487	7.4
149.04546	2.2
161.04572	9.6
179.05629	30.4
180.05966	1.0
341.10892	34.4
342.11206	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	341.1089
Annotation	Trehalose
Peak:m/z	Relative Intensity
51.38325	1.0
55.01871	1.4
57.03440	1.9
58.00594	3.5
59.01383	100.0
60.01719	1.3
62.35958	0.9
70.72848	2.3
71.01388	65.7
72.99303	3.6
73.02930	3.1
83.01388	2.5
85.02952	9.9
87.00879	4.3
89.02451	84.5
90.02774	2.6
95.01400	2.9
100.98798	1.0
101.02450	32.8
107.03531	1.0
109.87229	1.1
113.01731	0.8
113.02455	24.8
119.03510	27.5
131.03520	6.4
135.04568	1.2
143.03520	8.3
149.04565	15.8
161.04596	10.0
162.71034	1.0
179.05624	32.8
179.07231	1.7
320.79956	1.1
341.10916	31.9
342.11279	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	341.1089
Annotation	Trehalose
Peak:m/z	Relative Intensity
51.83785	1.7
54.75620	1.7
57.03463	1.9
58.00603	2.7
59.01385	100.0
62.09839	1.5
67.14433	1.5
68.81734	1.6
69.65918	3.0
69.66323	5.2
71.01389	66.5
71.03279	1.4
72.99297	2.3
73.02955	3.0
74.33038	1.5
74.37275	1.6
75.00905	1.5
85.02956	7.4
87.00894	3.6
89.02454	89.9
95.01365	1.9
101.02444	30.3
105.48650	1.6
113.02457	24.7
119.03527	28.3
131.03496	5.1
133.52817	1.6
135.04550	1.6
143.03459	8.3
147.18744	1.6
149.04568	23.3
161.04536	6.8
179.03821	2.0
179.05621	27.4
211.37767	1.8
341.10919	31.9
342.11050	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	341.1092
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01871	1.2
57.03455	2.8
58.00594	2.5
59.01384	100.0
68.15468	1.0
69.85257	2.0
69.85650	2.9
71.01389	65.4
72.99305	2.0
73.02949	3.8
83.01377	2.1
85.02962	11.0
87.00883	4.1
89.02453	85.6
95.01383	3.1
101.02455	30.8
106.98632	1.3
113.02460	24.8
114.02795	1.4
114.55598	1.2
116.68977	1.2
119.03515	29.1
119.04931	1.1
131.03485	3.0
135.04506	3.6
137.06023	1.0
143.03490	7.4
149.04544	3.3
161.04552	11.8
179.03473	2.6
179.03784	1.8
179.05630	29.7
180.06717	2.2
211.76474	1.1
235.29553	1.0
268.06314	1.2
276.93848	1.1
281.12436	7.9
341.10953	31.6
342.11200	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	341.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	3.8
59.01385	100.0
62.70405	1.0
70.93880	2.4
71.01388	65.4
72.99303	1.8
73.02949	2.9
83.01399	1.8
85.02952	11.7
87.00885	4.6
89.02457	82.8
90.02778	1.1
95.01379	3.3
101.02452	31.0
113.02463	24.9
119.03519	29.3
119.05000	1.4
131.03529	4.7
131.17198	1.0
135.04605	1.2
141.59514	1.0
143.03531	7.9
144.86356	1.0
147.04561	1.4
149.04565	21.8
161.04613	8.7
179.03357	1.2
179.05646	25.9
179.07202	1.5
214.68761	1.0
221.04507	1.7
227.91328	1.1
246.68822	0.9
264.52042	1.1
277.48907	1.1
341.10999	33.0
342.11322	1.2
360.13907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
57.03437	3.5
59.01387	16.8
69.03421	1.7
71.01386	14.9
71.27247	1.6
72.99308	3.8
73.02938	1.6
75.00880	31.3
83.01391	2.1
85.02957	12.9
85.82661	1.3
87.00881	3.8
89.02457	10.7
93.03476	2.0
97.75805	1.2
99.00913	8.3
101.02443	3.1
106.04235	4.7
107.05041	5.9
111.00856	1.7
113.02430	2.9
117.03493	1.8
117.57430	1.4
118.84212	1.2
119.03577	3.0
119.05035	53.9
120.05363	2.4
121.95647	1.2
129.01961	19.3
134.03767	8.5
135.04539	83.0
136.04883	2.6
137.02451	3.0
137.06094	81.6
138.06438	4.4
139.50233	1.2
141.01930	3.0
145.02960	2.8
146.03729	5.9
159.02986	9.4
161.02428	3.0
161.06071	2.9
163.04027	68.6
164.04353	4.4
177.04073	12.9
179.03508	66.7
179.05319	2.0
179.05682	2.8
179.07088	4.7
180.03865	2.9
193.05026	5.4
195.05106	100.0
196.05411	4.1
238.59367	1.5
269.73978	1.6
281.10184	1.4
319.39764	1.4
341.08655	14.0
348.98514	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	341.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
60.87356	0.2
67.14174	0.2
68.38742	0.2
69.47157	1.8
71.01414	0.2
89.03991	0.6
91.01909	0.3
95.01393	1.2
108.02183	1.5
123.00899	3.3
123.04541	2.6
133.02971	4.9
134.03287	0.3
135.00883	0.4
138.03259	0.3
161.02458	100.0
162.02803	5.7
163.00398	0.3
165.01936	0.5
176.04805	4.0
177.05179	0.3
179.03505	0.8
187.00407	0.3
198.03342	0.4
212.04866	0.3
224.04802	0.9
226.02844	0.3
236.40948	0.2
240.04227	1.1
241.04973	0.4
250.02780	1.3
252.04286	0.4
253.01202	0.3
255.06747	0.3
265.05106	0.9
267.03043	0.3
267.06577	0.3
268.03729	1.8
269.04477	1.1
278.02280	0.9
279.03104	0.5
280.03961	0.3
281.04376	0.3
283.06158	1.0
284.06943	0.7
293.04584	3.9
294.04932	0.5
295.02417	0.8
296.03339	3.3
299.09238	0.5
311.05643	40.1
312.05969	4.0
325.07281	0.4
326.07977	31.3
327.08319	3.9
341.10324	32.2
342.10626	4.3
352.20926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65590	1.0
57.03437	1.4
59.01385	19.9
67.01906	1.5
67.34168	1.1
71.01385	10.8
71.54718	1.3
85.02967	3.3
89.02454	9.2
93.03519	1.2
97.02985	1.2
97.20603	1.2
101.02437	3.1
107.01392	1.3
113.02472	2.4
114.65727	1.1
117.03506	2.2
119.03481	2.3
119.05047	2.9
121.02990	3.6
133.02991	4.6
134.06184	1.3
134.32892	1.3
135.00940	2.8
135.06482	1.6
137.06114	2.2
139.91611	1.1
140.12640	1.2
147.00912	1.6
147.98589	1.3
148.01669	6.4
149.02458	4.1
151.00388	2.0
151.94299	1.2
159.04547	1.9
161.02490	7.8
161.04681	1.3
163.04004	2.8
165.01993	1.6
167.05061	1.3
171.04555	2.1
175.77470	1.2
177.04103	1.2
179.05621	4.6
179.07108	1.3
179.10786	1.8
183.04530	4.3
185.02406	1.3
189.02084	1.3
193.01491	3.9
195.05008	2.1
197.06204	1.3
199.03986	6.4
211.04073	11.2
212.04686	1.7
225.05562	1.9
226.02837	1.5
226.06487	2.5
227.03508	13.1
239.10663	1.8
240.04276	1.2
241.05028	1.6
253.05112	3.3
254.05669	1.4
255.03003	82.0
256.03378	7.7
267.03113	3.2
268.03668	8.1
269.04544	20.4
270.05350	25.7
271.05637	2.7
281.04605	3.9
281.09341	8.3
282.05338	3.0
282.08939	1.8
283.02579	44.6
283.06116	7.6
284.02936	4.2
285.07965	1.5
295.02527	2.2
295.05972	1.7
296.03348	5.1
297.04086	49.0
297.07196	1.8
298.04828	100.0
299.05179	9.8
305.17392	1.2
311.05664	6.2
312.06299	3.1
313.07251	6.1
323.05695	5.5
323.18674	1.7
326.04346	18.6
326.07907	2.1
327.04886	2.2
341.06726	96.4
341.10992	11.0
341.19778	4.0
342.06976	11.9
342.10645	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	341.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01278	1.5
59.93073	0.4
69.57222	0.7
69.57630	2.2
71.01293	1.1
72.80280	0.5
89.02375	0.9
100.48259	0.5
113.02389	0.5
121.02887	1.0
121.03676	0.5
133.02849	1.4
133.03868	0.6
135.02850	2.0
155.04953	0.6
161.02470	3.9
171.04366	1.3
179.10683	0.7
181.02890	1.6
182.03494	0.7
183.04585	2.5
185.02318	1.7
187.03891	0.6
199.03998	3.1
210.03134	0.8
211.04024	3.5
213.01743	0.6
215.03362	0.5
225.01962	0.7
226.02657	1.5
226.04919	0.5
227.01402	0.8
227.03514	9.5
228.03770	0.9
238.02499	0.7
239.03365	1.8
254.02087	0.9
255.03003	17.6
256.03302	1.7
267.02927	0.8
279.27386	0.5
283.02509	39.6
284.02850	4.0
289.37253	0.5
298.04831	0.9
301.43234	0.5
311.02002	54.0
312.02356	5.2
326.04340	100.0
327.04733	10.3
341.06696	46.6
341.10217	1.4
342.07037	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	341.0668
Annotation	Irisoid C
Peak:m/z	Relative Intensity
52.76473	0.8
53.09201	0.7
59.01394	6.6
71.01389	4.9
71.54450	0.9
71.54836	0.8
72.82105	0.7
73.51804	0.7
75.65617	0.7
85.03001	0.9
89.02453	5.8
90.16117	0.7
95.01402	1.9
95.07639	0.7
101.02456	2.5
102.05624	2.7
108.02175	1.4
109.88983	0.7
113.02441	1.9
119.03498	2.0
123.00905	3.4
123.04549	2.4
125.02430	0.7
133.02980	4.6
134.60881	0.7
161.02463	96.3
162.02815	5.6
163.04147	0.8
171.10249	1.0
176.04816	4.4
179.05614	2.1
183.01131	0.9
183.04541	1.1
193.01625	0.8
199.03979	1.1
201.01950	2.2
205.98354	0.8
211.04021	2.4
215.03496	12.3
223.04022	2.7
224.04669	1.5
225.02007	1.8
226.02608	0.8
227.00014	0.9
227.03572	1.6
239.03381	4.0
239.16541	0.8
240.04253	1.5
241.01501	0.7
241.05121	1.2
243.03017	7.7
250.02823	1.0
252.04234	0.9
255.03050	2.8
256.06808	1.1
263.16534	0.8
265.05078	1.1
267.03006	13.3
268.03595	2.6
269.00952	6.2
269.04489	2.7
278.02307	1.2
279.02933	1.0
280.03638	0.9
283.02533	19.8
283.05759	1.5
293.01486	0.9
293.04593	3.8
295.02570	0.8
296.03299	2.9
297.00699	1.4
297.04028	11.3
298.04749	2.6
309.04123	1.4
311.01996	83.4
311.05658	35.9
312.02341	7.7
312.06018	3.1
313.07254	0.9
325.03540	13.4
326.04303	32.9
326.08020	30.6
327.04565	2.4
327.08432	2.6
341.06665	100.0
341.10422	27.8
341.17834	2.9
341.23697	4.4
341.27051	1.3
342.06992	14.3
342.10776	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	341.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98424	0.5
59.01389	0.9
66.91689	0.4
69.03454	1.7
71.01392	0.5
71.54820	0.5
83.05011	1.1
84.02177	6.9
97.03000	2.2
97.06599	11.4
99.04510	1.8
111.08152	0.6
114.77493	0.5
119.08659	0.5
125.09762	1.3
127.11361	0.6
137.09708	1.5
142.79095	0.5
149.13342	0.6
165.12889	1.0
171.08821	1.0
171.10289	19.6
175.11215	1.1
177.12918	0.7
183.13922	1.4
185.11963	0.6
193.12349	15.0
194.12738	0.8
197.15372	0.7
211.13351	3.0
212.13745	0.5
221.11801	1.4
223.54330	0.4
225.14967	21.7
226.15356	0.8
243.16019	10.4
253.14510	1.3
291.19669	1.6
295.99576	1.3
311.01831	1.0
326.04269	1.2
341.23340	100.0
342.23709	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0668
Annotation	7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin
Peak:m/z	Relative Intensity
59.01394	1.1
60.84205	0.3
64.97864	0.3
70.19728	0.5
70.20084	1.2
73.18779	0.3
121.02976	1.0
133.03000	1.0
139.05544	0.4
155.05037	0.5
161.02464	4.3
171.04453	0.6
176.01151	0.6
181.02925	2.3
182.03636	1.0
183.04521	2.9
185.02480	1.2
197.02513	0.5
198.03203	0.6
199.04002	3.2
210.03273	0.7
211.03993	3.5
213.01956	0.4
225.01863	0.5
226.02634	1.7
226.10771	0.4
227.03505	9.0
228.03847	0.8
233.40845	0.4
237.01912	0.5
238.02759	0.5
239.03523	1.8
253.01399	0.6
254.02313	1.1
255.02994	15.5
256.03354	1.8
267.02963	1.0
278.85025	0.3
283.02499	39.5
284.02875	4.8
297.04047	0.5
298.04791	0.8
311.01987	54.5
312.02313	5.5
325.03653	0.5
326.04318	100.0
327.04684	10.0
341.06671	46.4
342.06958	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	341.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68511	0.5
59.01311	1.7
59.18474	0.5
67.01839	1.3
68.99783	1.0
69.22469	5.5
71.01347	1.4
79.94649	0.5
80.71214	0.5
83.35840	0.7
89.02390	1.2
98.20669	1.4
101.02419	1.1
107.80181	0.5
113.02335	0.7
161.02354	1.4
167.05022	1.3
179.05412	0.8
182.03654	1.6
183.04521	3.6
185.02455	4.5
187.03932	0.9
195.04404	1.2
199.04062	0.6
201.01872	1.1
209.02440	1.3
210.03163	2.5
211.02170	0.8
211.04024	10.8
212.01097	1.2
212.04419	1.2
213.01968	5.3
214.02602	0.8
215.03441	1.0
223.03989	5.7
225.01953	1.3
226.02567	0.9
227.03508	4.2
229.04951	1.1
237.01814	1.3
238.02621	2.0
239.03516	18.0
239.10818	5.5
240.03757	2.0
241.01424	4.9
242.02011	0.7
243.03078	4.1
254.02246	0.7
255.03000	6.9
256.03348	0.8
267.02975	6.5
268.03311	0.7
269.04633	1.2
270.05295	1.1
283.02515	27.8
284.02927	3.5
297.03961	1.7
298.04855	21.9
298.07407	0.4
299.05090	1.5
311.02014	20.5
312.02402	2.0
325.03659	2.8
326.04333	91.8
327.04703	10.0
341.06686	100.0
341.13901	3.5
342.07025	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	341.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27646	0.6
59.01248	2.4
59.01562	1.5
64.63493	0.7
69.26855	1.6
69.27270	4.1
71.01246	2.3
73.55219	0.8
86.30804	0.7
89.02293	2.7
101.02293	1.2
105.03344	1.6
109.59338	0.6
113.02343	1.0
119.03345	1.0
119.04833	0.8
135.04385	1.7
135.83287	0.8
141.03305	0.9
145.02844	0.9
149.02249	2.4
161.02231	1.1
163.03854	1.2
167.03368	1.2
169.02969	32.5
169.04301	1.4
170.03125	1.6
171.04555	8.8
179.05406	1.4
182.03564	0.8
183.04399	1.7
195.04546	1.0
198.03110	1.7
199.04005	4.7
211.03841	1.7
211.13240	0.8
211.37378	0.7
217.03159	0.7
217.05063	9.6
226.02602	2.3
227.03506	15.4
227.06902	1.3
228.03740	0.8
239.03435	1.1
245.04530	0.8
253.08746	0.8
254.02135	1.8
255.03006	77.2
256.03342	5.4
261.15811	0.8
267.02734	0.9
282.01947	0.9
283.02542	5.3
297.04028	1.9
309.03918	0.8
311.01996	46.9
312.02304	3.7
325.03601	4.1
326.04337	100.0
327.04675	10.8
341.06693	55.3
341.10413	6.3
341.13977	1.2
341.23386	2.7
342.07043	7.2
342.10739	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	341.0667
Annotation	Boeravinone D
Peak:m/z	Relative Intensity
59.01389	21.2
71.01394	12.9
71.54510	3.2
76.79710	2.1
89.02447	19.0
101.02428	5.4
113.02451	5.3
116.10141	2.0
119.01405	2.5
119.03485	5.5
120.45908	2.1
123.00891	4.0
123.04509	3.3
133.02965	8.6
135.00903	3.0
147.00784	2.3
148.01643	14.5
161.02455	100.0
162.02817	5.3
175.00372	2.4
176.01208	3.6
176.04866	3.8
179.05594	6.5
182.03716	3.3
185.47096	2.2
189.05602	2.5
194.03673	2.1
210.03268	2.5
222.03291	5.4
224.30664	2.4
238.02719	7.2
239.03482	7.9
242.02159	3.1
245.08675	2.1
250.02602	3.1
255.03004	7.8
266.02203	17.8
267.02795	4.0
268.03732	2.6
269.04379	1.9
278.02322	2.5
280.03799	3.8
283.02469	8.6
283.05609	2.1
293.04727	3.5
294.01721	19.1
295.02490	30.6
296.03088	9.0
297.18036	2.7
309.04068	89.2
310.01218	3.7
310.04541	19.5
311.02109	5.6
311.05563	47.7
312.05914	6.0
325.03458	3.7
326.04260	12.6
326.07971	31.5
327.04572	3.6
327.08133	2.9
341.06577	43.9
341.10434	38.2
341.16974	5.2
341.23215	6.3
341.26996	10.9
342.06931	4.2
342.10696	4.7
353.03024	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	341.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17165	0.6
59.01266	5.3
59.01604	1.7
61.30058	0.6
69.22827	5.9
70.26258	0.6
70.78082	0.5
71.01279	1.4
71.01629	0.6
71.61824	0.5
75.00771	0.6
84.42317	0.5
89.02341	1.3
98.20677	1.3
121.02854	1.4
133.02827	1.0
135.02841	2.1
161.02443	4.3
162.02740	0.6
171.04373	0.7
171.98326	0.7
181.02750	2.1
182.03548	0.8
183.04361	2.1
185.02368	1.0
198.03133	0.8
199.03992	3.2
211.04063	3.7
225.01865	0.7
226.02617	2.0
227.03511	9.3
238.02727	0.9
239.03435	1.7
243.12181	1.3
254.02065	0.7
255.03024	17.9
256.03311	1.6
263.16577	0.6
281.00916	0.7
283.02502	41.5
284.02875	4.0
298.04749	0.9
309.06897	0.8
311.01993	61.7
312.02280	5.0
326.04327	100.0
327.04681	10.3
341.06689	51.7
341.10059	1.5
341.19815	2.4
342.06967	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23742	0.7
59.01218	4.3
59.01551	4.2
64.12840	0.7
68.99673	1.2
69.00014	0.9
71.01206	4.0
71.01630	1.7
71.04845	2.6
71.05272	1.6
71.54961	1.0
75.00724	0.9
81.03265	3.7
81.03790	1.9
83.04836	3.9
83.05370	1.3
84.18668	0.8
85.02802	1.3
89.02253	3.5
89.02846	1.5
93.03264	2.6
94.34623	0.8
95.01214	1.1
97.02782	0.8
101.02290	1.6
105.21503	0.6
108.53042	0.8
109.06433	1.1
109.85689	0.8
111.04311	11.2
111.05140	2.0
113.02300	1.8
119.03305	1.2
119.04865	1.1
119.66460	0.7
123.04361	1.8
125.09557	1.3
135.02826	1.0
135.04340	0.9
139.05299	0.9
143.03368	0.9
151.07419	7.1
155.04904	1.2
157.02791	0.9
161.02205	2.9
161.04373	0.9
163.03830	1.1
167.04816	1.7
169.02792	0.9
169.08699	4.4
171.10278	13.4
179.05450	1.7
181.02744	0.8
182.03622	1.3
183.04526	3.9
185.02509	4.6
187.03822	1.0
187.09496	0.9
195.04488	1.7
199.03793	1.4
201.01770	1.1
201.11317	3.9
209.02347	0.8
209.11873	3.7
210.03119	1.0
211.04021	11.6
213.01952	4.9
213.11128	2.2
214.02446	0.8
215.03348	0.8
223.04004	4.7
225.01878	1.4
227.03510	3.7
229.04890	1.1
237.01776	0.9
238.02679	1.7
239.03531	16.8
240.03764	1.0
241.01428	4.1
243.02832	2.5
251.12828	1.2
254.02129	1.4
254.05754	0.8
255.03040	8.6
267.03052	6.7
267.05640	1.3
269.04385	1.4
270.05438	1.5
282.05164	1.7
283.02509	29.9
284.02975	3.6
287.16583	1.4
297.04028	2.0
297.07446	1.2
298.04831	23.0
299.05130	1.7
305.17535	1.2
311.02036	22.6
311.05350	0.9
312.02209	2.4
323.05435	0.9
323.18704	1.8
325.03580	3.1
326.04333	97.8
327.04715	10.6
331.94696	0.7
341.06705	100.0
341.10605	4.6
341.19778	7.7
341.49680	0.7
342.07001	10.7
342.10718	1.1
357.16327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.233
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
66.47478	0.4
70.09291	1.5
88.15207	0.4
163.11302	100.0
164.11613	6.1
201.60956	0.4
226.82097	0.4
230.05562	0.4
323.14914	0.4
339.23300	89.2
340.23630	9.0
353.39160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06715	0.4
53.52299	0.4
59.01397	1.0
66.18115	0.4
71.01393	0.7
89.02454	0.9
98.20688	1.2
111.18063	0.5
146.05721	0.5
167.09016	55.3
168.09372	3.0
211.07999	100.0
212.08311	6.6
230.46658	0.5
253.08849	1.1
326.04440	0.6
340.12482	1.0
341.06677	1.0
341.19675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
59.01385	100.0
60.01723	1.6
66.12763	0.6
69.03460	0.8
69.64098	3.2
69.64503	1.0
70.71246	0.6
71.01391	8.5
72.99346	0.6
73.02953	3.1
83.01408	2.7
85.02968	4.1
87.00885	0.9
89.02457	4.5
93.03456	0.8
96.96041	1.9
97.02975	0.7
99.00903	1.2
101.02465	9.5
101.97963	0.6
105.03477	1.1
109.02969	2.2
110.02522	1.2
112.04090	2.5
113.02456	4.0
119.03543	1.4
124.03976	0.7
129.02039	0.9
133.02037	0.7
133.02982	4.0
134.03789	0.8
135.03627	0.6
135.04555	3.0
147.04584	2.3
148.05330	1.1
149.02438	1.0
149.06113	2.7
154.99939	0.8
159.03090	1.0
161.02492	2.2
161.04561	5.6
161.05882	0.9
163.04076	0.7
166.05119	4.4
173.06137	1.0
175.04063	2.5
177.01935	53.6
177.07799	1.0
178.02354	2.7
184.06244	2.0
189.05602	1.8
191.03589	1.2
191.07222	1.2
193.07204	1.9
217.05110	1.0
219.03076	2.0
221.04614	0.8
224.09410	2.4
225.09293	3.3
235.06122	1.9
237.04062	1.1
249.04141	0.7
279.05038	1.2
279.11307	1.2
279.14517	7.4
295.08310	1.3
295.17249	2.2
332.52222	0.7
339.06894	5.7
339.12885	2.3
339.16504	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	339.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
55.79397	0.9
59.01387	100.0
60.01726	1.2
63.97416	0.7
69.30670	2.0
69.31076	4.2
71.01392	8.2
73.02968	2.7
75.00886	0.8
83.01411	1.8
85.02959	2.4
89.02451	2.3
89.37328	0.7
95.01440	1.0
96.96049	1.1
98.19919	1.1
99.00903	1.6
101.02481	6.0
109.03005	3.2
112.04121	0.6
113.01793	0.8
113.02446	3.6
125.02449	1.7
133.02998	3.7
135.04553	3.4
147.04521	4.3
148.05318	2.1
149.06108	5.6
154.99889	0.9
161.02489	3.2
161.04619	5.3
161.06084	1.9
166.05182	1.8
175.02750	0.8
175.03979	4.2
176.01248	0.8
176.04808	0.8
177.01956	20.1
177.05544	0.8
178.02373	1.6
179.03590	0.7
185.04648	1.2
189.05603	4.3
191.03612	1.5
191.07275	2.2
193.07263	2.1
212.80656	0.7
217.05173	2.8
219.03084	3.3
221.04607	1.6
225.09200	0.8
235.06241	3.2
237.04114	1.5
251.09546	1.0
261.80835	0.8
279.05261	1.6
279.14511	9.1
295.08307	1.4
339.07147	9.3
339.12881	0.8
339.16321	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	339.1602
Annotation	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Peak:m/z	Relative Intensity
50.35876	1.6
54.55509	1.7
59.01368	5.4
60.61400	2.0
61.98830	14.4
70.28024	6.3
92.92811	12.8
103.72139	1.7
116.97265	3.6
119.05022	2.3
149.06067	4.7
183.01208	51.6
184.01826	2.0
184.04811	1.8
185.93112	1.8
193.07111	2.7
197.02751	3.7
225.09219	88.4
226.09570	11.4
237.09244	19.5
295.17047	69.6
296.17389	5.4
301.60068	2.1
314.36118	1.8
339.15952	100.0
339.19995	84.6
339.32632	2.3
340.16278	13.5
340.20349	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	339.1603
Annotation	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Peak:m/z	Relative Intensity
70.29197	0.4
70.29561	0.3
82.42610	0.2
85.35887	0.2
93.03499	0.3
96.93034	0.2
106.04284	0.2
108.02177	0.2
109.11792	0.2
119.05048	0.4
121.02973	0.5
132.02185	0.4
134.03764	2.6
137.02480	0.4
146.03783	0.9
149.02489	1.4
149.06085	2.7
151.87889	0.2
161.02473	1.3
161.09712	0.2
179.08867	0.2
189.09227	0.5
190.09937	0.2
225.09230	48.7
226.09596	3.2
237.09230	11.3
238.09601	0.7
239.10811	0.8
265.12491	0.3
269.08411	0.3
272.10559	0.4
279.13925	0.4
280.14728	0.2
281.08276	0.8
295.17062	44.3
296.17410	4.2
339.16034	100.0
340.16376	9.8
340.20566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
61.16432	0.5
70.91998	1.1
75.07181	0.5
86.80589	0.5
100.93720	0.5
134.03804	2.7
137.02429	0.7
149.02448	2.3
149.06076	4.0
161.02443	2.4
189.09215	0.6
191.10864	1.1
193.07280	0.7
223.51227	0.5
225.09219	82.0
226.09561	7.4
237.09209	19.1
238.09500	1.6
239.10738	1.4
240.11411	0.7
265.12445	0.6
272.10550	1.6
279.14047	1.0
280.14435	0.6
281.08405	0.9
293.15506	0.8
295.17041	62.4
296.17398	7.9
339.16013	100.0
340.16306	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	339.1299
Annotation	Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01885	12.7
57.03439	5.8
58.00587	3.6
59.01387	76.0
60.01705	2.0
67.32791	1.7
69.03463	4.0
69.76600	9.4
69.98207	1.7
71.01389	77.5
72.99297	2.4
73.02560	2.4
73.02953	32.2
75.00845	1.6
81.03493	1.9
82.49875	1.7
83.01393	17.6
85.02961	58.8
87.00884	6.6
89.02462	15.2
90.62582	1.7
95.01385	5.8
99.00915	9.6
101.02453	100.0
102.02781	2.9
113.02463	25.5
115.06773	2.0
121.53321	1.6
143.03477	5.7
149.19577	1.7
159.03020	4.2
161.04590	26.8
177.07698	36.5
193.07172	2.1
196.58159	1.8
221.06723	1.7
225.09174	1.9
237.09801	2.8
279.10947	2.2
339.12967	44.6
340.13196	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	339.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.8
62.90087	2.3
70.72552	7.2
96.69245	2.1
112.88073	2.3
119.05042	26.5
123.00890	5.2
123.04483	4.0
124.01651	8.8
147.04665	2.3
173.99762	2.6
189.09172	8.1
191.10767	9.0
205.08685	13.2
217.12270	2.8
223.07727	2.9
224.08429	4.2
225.09267	18.8
235.07544	3.0
237.09218	5.8
239.10725	10.7
241.78227	2.3
257.08096	2.4
258.77853	3.1
263.14420	16.6
265.16025	14.5
277.15936	8.0
278.12961	2.7
279.13940	37.5
280.14291	6.6
293.15509	100.0
294.15765	13.7
295.17050	38.2
296.17297	4.4
297.15216	3.6
303.91998	3.1
309.14960	24.4
312.13712	4.7
325.14474	3.8
339.16028	71.4
339.20123	3.5
340.16205	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	339.1235
Annotation	Xestosaprol A
Peak:m/z	Relative Intensity
57.03361	0.5
59.01255	2.5
59.01575	1.2
64.35492	0.5
69.51128	3.2
70.12841	0.5
71.01291	0.6
77.99261	0.6
84.53284	0.5
93.03299	2.6
94.08588	0.6
95.04867	2.1
98.19882	0.6
101.02322	0.6
107.04901	1.0
119.04848	2.5
121.02856	0.7
135.04347	2.2
135.05327	0.9
143.04869	3.3
144.05580	0.6
145.06441	1.1
147.04353	0.6
157.06425	2.1
158.07368	2.6
159.04333	1.7
161.02356	1.0
161.05933	0.6
171.04472	4.6
171.08018	1.0
171.10136	1.4
172.05330	3.1
173.02443	2.9
173.06052	6.5
185.05910	1.5
186.06882	5.3
187.03992	2.6
189.05383	0.8
190.06171	0.9
193.07172	0.8
201.05624	3.3
202.06177	2.2
215.03419	1.4
218.05788	1.1
223.11140	0.7
225.09236	5.0
226.09677	1.2
229.04930	0.7
230.05743	4.0
230.48769	0.5
234.10425	2.3
235.07472	0.8
237.09253	2.7
247.11133	1.3
249.09038	0.7
249.12817	7.6
251.10626	0.9
261.09167	0.8
262.09958	1.7
265.12241	1.4
267.13913	5.1
268.14236	0.6
275.10638	1.5
276.11435	0.7
277.09183	0.8
277.12332	6.8
278.09546	1.1
289.18021	1.1
291.10217	0.6
293.11826	4.5
294.12170	0.8
294.93387	0.6
295.13403	2.3
295.16943	1.9
303.10391	2.9
304.10577	0.8
306.09058	3.1
307.18994	1.0
321.11319	100.0
321.56482	0.5
322.11661	11.9
339.12399	34.0
339.16116	4.3
339.21362	1.5
340.12680	4.4
340.16553	1.1
357.39349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46697	1.2
57.03434	1.4
58.00578	1.5
59.01385	100.0
66.85722	1.3
69.03461	2.0
69.70624	7.9
69.70966	1.6
71.01389	26.2
72.99329	2.2
73.02956	11.0
74.62688	1.3
75.00892	2.1
83.01400	5.9
85.02950	10.8
85.48215	1.2
87.00895	2.3
89.02456	18.5
98.20645	1.6
99.00876	2.8
101.02457	21.4
109.02948	1.5
113.02470	12.3
119.03535	6.3
135.06662	5.9
143.03545	1.9
145.04997	1.6
159.02968	1.7
159.06610	4.6
161.04590	6.9
161.05775	1.3
168.39067	1.3
177.07739	6.2
179.05579	2.5
199.61650	1.5
201.07686	1.7
204.12840	1.3
237.09824	4.6
279.10873	3.7
297.12045	7.2
339.08725	3.2
339.13000	37.1
340.13327	2.8
350.53339	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	339.1239
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.88559	1.1
59.01385	9.5
71.01392	2.8
71.54882	1.6
71.83185	1.2
75.00888	1.2
85.02993	1.9
85.64789	1.2
89.02474	2.9
96.28536	1.1
96.96035	2.0
101.02457	3.3
108.82049	1.1
110.26572	1.3
113.02454	3.1
145.02982	4.0
161.02505	1.6
171.10364	2.7
177.62318	1.1
178.47939	1.2
179.07260	1.3
182.80695	1.1
202.97156	1.2
207.08234	3.2
217.06706	2.1
219.08176	2.8
221.06181	3.3
223.56654	1.2
225.09225	2.5
229.08968	1.4
233.06116	2.5
234.06851	2.5
235.07669	5.7
236.08083	1.5
237.09312	2.3
239.07289	2.1
241.04671	1.5
245.06053	2.5
246.06831	1.8
247.07802	2.1
250.06532	1.3
253.08821	5.6
262.06345	2.5
263.07147	17.8
264.07626	3.7
265.08743	1.8
267.07211	1.3
268.11157	3.6
274.06329	1.4
275.07129	1.9
280.07758	2.2
281.08255	29.9
282.08401	2.4
291.06787	8.3
292.07370	4.2
293.08167	8.8
294.08975	3.6
295.09586	1.6
296.10626	6.4
307.09775	2.9
308.07324	1.6
308.10345	7.0
309.07718	100.0
310.08063	12.1
323.09280	24.6
324.10040	69.4
325.10382	7.5
339.12411	60.1
340.12848	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	339.1235
Annotation	Glepidotin B
Peak:m/z	Relative Intensity
59.01389	11.0
63.02419	2.4
65.00330	8.6
68.99802	1.1
71.01387	3.9
71.55139	1.9
73.02945	2.6
85.02955	2.2
89.02458	1.8
93.03462	8.2
101.02457	3.1
107.05003	1.2
109.06594	5.0
113.02457	2.3
119.05038	76.1
120.05393	4.5
121.02945	1.2
126.18990	1.2
131.08685	2.2
133.06601	23.6
136.01680	1.6
145.02954	1.5
148.01630	1.6
149.06046	1.2
151.07642	7.9
159.04570	1.2
161.04605	1.1
161.77477	1.1
175.07637	9.8
176.01161	7.3
177.01839	1.6
187.04044	1.8
191.07205	2.7
193.07156	5.6
193.08734	1.9
219.06627	50.1
220.07011	3.8
225.09200	4.7
230.21054	1.3
233.08278	3.3
245.08096	3.2
295.13724	2.1
295.17130	3.1
339.12396	100.0
339.15942	7.0
339.19675	2.7
340.12732	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	339.1238
Annotation	Licocoumarone
Peak:m/z	Relative Intensity
53.27316	0.6
59.01390	3.7
65.03967	1.2
69.31229	1.2
69.31643	3.8
71.01392	1.5
79.05556	3.8
81.17101	0.8
83.01411	0.7
90.78688	0.6
101.02445	1.5
105.07086	3.1
107.05048	7.6
108.02187	1.1
113.02435	0.7
121.02970	1.0
136.54944	0.7
146.03725	0.6
147.04553	1.1
149.06158	0.8
159.04553	1.0
161.04626	0.9
161.06009	1.2
171.10341	1.7
174.03220	2.5
175.07605	0.7
179.14536	0.7
183.01231	2.6
187.04074	1.1
187.07716	1.1
188.04802	3.3
189.05597	1.6
193.07147	0.9
197.06087	2.3
203.07117	2.9
209.05859	0.9
211.07619	0.9
213.05560	1.2
216.04306	2.1
224.04755	1.3
225.05582	2.4
225.09238	6.0
227.03487	1.2
227.10786	1.0
231.06758	2.2
237.09230	3.6
241.05016	1.8
241.14619	0.7
249.05356	0.8
250.10057	0.8
251.10797	5.2
252.11415	1.3
253.05103	4.0
253.08647	1.9
262.06540	0.7
263.07169	4.0
265.05045	0.6
267.06851	0.7
267.10272	1.5
267.13950	2.0
268.11035	1.0
277.08670	1.8
277.12323	1.7
278.09601	4.1
279.10272	2.2
280.10950	2.8
281.08267	5.7
282.08585	0.9
293.08618	1.2
293.11911	4.2
294.09052	2.3
294.12015	0.8
295.09802	11.0
295.13379	1.6
295.16711	3.4
296.10516	8.9
297.11050	1.3
305.08276	1.2
306.08926	1.8
309.11499	1.5
311.12933	63.2
312.13232	7.7
312.73257	0.6
321.11270	3.0
324.09869	2.6
339.12418	100.0
339.16153	9.7
339.21387	2.6
340.12732	13.3
340.16061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52330	0.2
56.90925	0.2
59.01392	1.3
69.59770	0.2
69.94781	0.2
70.81887	0.3
70.82214	0.3
77.60066	0.2
81.03478	0.5
87.38937	0.2
89.03970	1.6
104.02686	0.3
105.03471	3.9
108.56446	0.2
109.02892	0.4
133.02972	9.2
134.03316	0.3
135.04568	0.4
137.81854	0.2
147.04565	0.4
148.01680	0.9
148.05324	0.2
149.02457	0.9
149.06079	0.6
161.02435	0.5
161.06105	0.3
163.03946	0.3
174.03214	0.2
175.04021	0.5
176.01198	1.8
177.01945	100.0
178.02283	5.7
189.05602	0.5
217.05083	0.4
219.02759	0.3
221.04662	0.3
237.04073	0.3
237.16814	0.2
249.77211	0.2
295.08185	0.3
339.07233	11.7
340.07562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0724
Annotation	3-O-beta-D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
55.01895	1.7
59.01387	32.4
69.03457	4.7
70.41619	6.4
71.01390	16.0
73.02975	1.9
75.00877	3.5
76.44949	1.8
78.40253	1.7
81.03473	1.9
83.01394	7.3
85.02956	5.3
87.00855	2.0
87.04542	1.8
89.02459	8.5
95.01411	1.8
97.02962	3.6
99.00861	5.9
101.02441	10.0
105.03483	3.8
107.05033	2.4
107.30593	1.5
108.02171	3.6
109.02965	37.4
111.00891	5.2
113.02451	3.5
114.02013	2.2
117.03455	1.7
119.03514	2.0
119.04994	5.9
121.02960	2.4
122.03735	2.2
123.04548	4.3
124.01702	2.2
125.02470	22.6
129.01932	3.1
129.03447	2.1
131.05086	2.2
132.04659	1.7
133.02972	30.5
135.04543	45.2
136.04811	2.2
137.02454	3.4
139.04033	2.7
143.05064	3.2
145.02972	4.7
146.03732	7.1
147.04543	70.8
148.04112	2.4
148.05322	31.6
149.02435	6.7
149.06104	95.2
150.03168	2.3
150.06453	4.9
151.04039	2.9
159.03302	2.6
159.04506	11.7
160.04057	16.9
160.05267	3.3
161.02469	57.6
161.04764	2.1
161.06100	39.6
162.02972	2.7
163.04045	17.6
163.07671	7.4
165.05617	2.7
169.01411	2.3
171.04601	2.4
172.05313	3.0
173.02409	5.3
173.06087	16.1
174.03267	12.3
174.06708	1.6
175.04027	59.3
175.07660	2.4
176.01273	1.8
176.04768	17.3
177.01950	87.4
177.05518	8.9
178.02396	2.5
178.05095	8.4
179.03496	6.9
185.04613	14.9
187.03990	5.9
188.04761	5.3
189.01988	3.3
189.05603	58.8
190.02821	2.5
190.05890	3.2
191.03564	12.3
191.05467	2.6
191.07173	35.4
192.04010	2.0
192.07510	3.2
193.05080	9.4
193.07088	2.7
193.30849	1.9
203.03502	3.9
203.05482	1.7
203.07182	11.2
205.05101	17.8
207.06580	3.9
217.03081	3.3
217.05075	50.6
218.05400	2.7
219.03008	28.2
221.04579	19.8
225.09227	2.3
229.03455	2.2
231.06558	1.9
235.06140	55.7
236.06430	3.7
237.04071	35.0
238.04398	2.2
247.06136	3.3
249.04108	2.1
251.09303	6.2
277.07208	10.8
278.07379	2.2
279.05127	36.1
280.05420	2.0
280.22241	1.9
295.08258	36.6
296.08862	2.8
307.36606	1.8
327.25613	1.8
339.07208	100.0
340.07471	6.9
340.10712	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	339.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
58.17947	0.8
59.01382	13.3
67.01892	1.0
67.74043	0.8
69.03461	71.9
69.80077	2.3
69.80491	2.6
70.03810	1.9
71.01392	3.9
73.02952	1.4
79.01898	30.1
81.03469	3.1
83.01390	1.4
84.03017	0.8
85.02960	5.3
87.00829	1.0
92.78380	0.9
93.03474	1.0
95.01397	12.1
96.95982	2.9
97.02958	38.5
101.02468	2.4
104.60281	0.9
106.06629	1.1
107.00656	1.6
107.01394	30.1
108.02198	15.7
109.02966	30.2
110.03320	1.4
113.02473	2.9
121.02965	6.4
123.00893	15.3
123.04560	1.2
125.02464	32.4
126.02766	1.4
127.60356	1.0
133.02937	3.2
134.03746	1.5
134.06120	3.2
135.00890	2.7
135.04538	3.6
136.01668	3.4
137.02458	6.2
149.02460	12.2
151.00383	16.3
151.04031	1.8
153.01950	100.0
154.02298	4.1
163.04007	3.4
167.03500	2.5
175.04004	1.0
177.01923	4.8
178.05028	2.2
191.03413	1.2
195.03014	1.7
225.09204	2.2
232.54533	1.1
279.05078	20.1
280.05426	2.1
296.95294	1.1
297.06168	37.5
298.06567	2.1
309.07666	2.1
329.24121	0.9
339.07242	26.6
339.12119	1.4
339.15912	3.0
340.07629	1.5
361.03546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0723
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01382	1.9
65.00323	0.8
65.03960	1.5
67.01894	0.8
68.99837	0.4
71.01388	0.5
71.55641	0.4
75.24418	0.2
77.79351	0.2
80.02681	0.6
83.28719	0.2
91.01904	50.8
92.02225	1.6
93.03425	0.3
101.02444	0.3
107.01405	0.5
108.02179	1.1
109.02963	14.8
110.03308	0.7
113.02397	0.2
118.76736	0.2
121.02946	1.2
123.04532	0.9
133.03003	1.1
135.00903	100.0
136.01173	3.8
137.02464	3.0
139.65149	0.2
148.01639	0.3
149.02463	1.4
151.04041	0.3
153.01955	63.7
154.02298	2.5
161.02437	1.7
163.03973	0.3
175.03993	0.3
177.01961	1.3
179.03571	0.3
183.68947	0.2
189.01959	1.5
191.03571	0.2
202.18199	0.2
211.08006	0.5
215.57613	0.2
279.02414	0.3
279.05145	1.2
297.06198	1.2
339.07211	27.0
340.07535	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	337.1659
Annotation	Ankalactone
Peak:m/z	Relative Intensity
50.98853	1.0
51.95100	1.1
52.57724	1.2
56.07852	1.1
59.01386	5.6
60.25409	1.1
65.03996	1.4
67.01894	1.5
69.03456	1.7
69.54313	8.1
71.01389	1.1
77.04993	1.0
78.95942	1.1
81.03462	100.0
82.03810	1.9
83.01376	4.5
95.01383	3.5
96.96027	7.7
101.59719	1.1
103.05495	1.7
110.00089	8.7
111.00864	2.3
119.08649	4.1
125.01543	1.5
125.02462	30.4
126.78026	1.2
152.99635	1.2
157.05081	37.3
158.05301	1.4
169.01288	2.2
169.10274	2.2
185.13379	10.8
200.11719	1.2
201.04027	1.6
217.15973	3.4
229.12405	3.4
257.21216	4.0
261.14966	23.4
262.15372	2.4
277.12762	1.3
289.94769	1.4
293.17651	35.3
294.17868	3.3
295.80383	1.2
322.08347	1.7
337.10815	1.7
337.16818	18.2
337.20413	2.4
337.23703	2.7
338.16998	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46870	1.3
54.81477	1.5
57.51857	1.4
59.01379	5.4
59.03517	1.3
67.01891	1.9
69.03456	2.2
70.92456	4.2
80.91682	8.0
81.03464	100.0
82.03780	3.1
83.01389	6.1
95.01399	4.7
96.96007	5.6
110.00105	10.6
111.00893	4.0
117.07132	2.3
125.01540	2.0
125.02460	33.5
126.02779	2.3
152.99626	1.7
157.05084	40.1
158.05382	2.0
169.01413	4.4
173.06090	1.4
185.13383	12.3
201.04057	2.5
217.16019	3.3
223.22716	1.5
229.12183	1.6
243.13864	1.8
261.15021	13.4
293.14630	2.4
293.17654	34.7
294.17828	2.7
301.98883	1.5
337.16873	8.7
337.23657	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	339.0511
Annotation	LMPK12113393
Peak:m/z	Relative Intensity
58.56855	1.2
59.01106	2.0
59.01382	20.2
60.95789	1.1
69.35764	6.4
69.36186	3.8
71.01394	8.0
71.05009	1.6
73.02955	2.2
81.03459	1.7
83.01388	2.0
83.05025	4.1
85.02950	3.4
89.02464	2.9
91.01906	3.1
93.03458	4.9
96.96024	1.5
97.06601	1.3
98.19810	1.8
99.00896	1.4
101.02460	6.4
105.03480	1.3
113.02490	2.8
117.03453	3.3
119.03535	1.8
119.05026	1.4
121.02961	9.4
123.04496	2.5
132.02216	3.0
133.02951	4.5
135.00916	2.7
135.04501	2.4
137.02374	1.4
139.07639	2.3
145.02924	2.4
147.00943	2.9
149.02426	7.6
149.06042	1.6
157.08731	2.2
161.02441	6.9
161.04581	2.4
163.00385	1.7
163.04001	1.6
164.59537	1.5
167.05038	2.0
169.06647	1.9
171.04500	1.4
173.06053	3.8
177.01978	2.1
177.07646	2.1
180.05804	1.9
183.04445	2.4
193.07109	3.1
195.04486	5.6
196.05247	3.0
197.06079	3.8
199.09845	1.7
203.50986	1.3
204.36816	1.4
209.06128	4.6
211.04053	6.0
211.07625	3.4
213.05443	1.7
215.03404	1.4
223.04010	3.0
224.04790	4.9
225.05569	5.3
225.09238	7.1
237.05617	4.5
237.09174	3.0
239.03461	9.0
239.07053	3.3
240.04253	2.2
250.12587	1.5
251.03481	2.1
251.10777	5.0
252.04210	6.1
253.05103	10.9
255.06601	3.9
265.05045	5.2
267.03000	4.0
267.06622	5.1
268.03766	34.2
269.04019	3.0
277.08551	2.0
279.11124	1.4
281.04572	24.4
282.05063	2.9
283.06128	8.5
293.04501	2.7
295.06412	1.4
295.09894	2.9
295.16827	7.1
296.03290	37.5
297.03665	4.6
299.05588	3.4
309.04056	14.5
310.04892	6.7
311.05685	16.8
312.05774	1.9
314.04291	4.5
321.04001	3.0
325.03497	3.6
339.05099	100.0
339.08450	4.4
339.12418	3.3
339.15759	9.4
339.21823	3.7
339.25345	2.0
340.05441	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	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
55.26891	1.1
58.00596	3.8
59.01387	100.0
60.01719	1.0
65.31371	0.9
71.01389	49.2
71.27299	1.9
72.99307	3.8
73.02928	1.3
83.01378	2.0
83.88071	1.0
85.02948	11.7
87.00894	2.3
89.02452	52.0
95.01395	4.2
101.02456	34.0
113.02465	19.0
113.09743	2.1
116.70298	1.0
117.52605	1.0
119.03516	22.2
124.11018	1.3
131.03508	3.1
143.03523	2.2
147.62914	1.2
160.74800	1.0
161.04620	1.9
174.42258	1.2
179.04123	1.0
179.05603	2.7
183.43933	1.0
189.11215	1.4
195.99474	1.1
235.17789	1.2
337.15063	97.5
338.15363	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	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49562	0.9
53.35479	0.8
55.01878	1.1
57.03450	1.8
58.00602	3.0
58.10094	0.9
59.01387	91.4
60.01729	1.1
69.48181	6.2
71.01390	49.8
72.99310	3.2
73.02966	1.7
83.01389	2.4
85.02960	8.6
85.06603	1.7
86.97006	0.8
87.00880	2.5
89.02452	47.3
90.02781	1.3
95.01396	4.0
96.35171	0.7
99.00905	0.9
101.02451	31.1
102.02788	1.1
113.02468	17.5
113.06101	1.0
113.09721	1.5
119.03513	22.4
131.03542	1.0
143.03506	2.6
149.04526	1.9
161.04535	1.8
168.59824	0.8
179.05618	4.0
189.11301	2.1
227.45494	0.9
244.55597	0.9
337.15057	100.0
338.15369	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	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03447	1.4
58.00594	2.6
59.01384	100.0
60.01707	1.1
69.72124	3.2
69.72534	2.8
71.01388	50.2
72.99318	2.9
73.02942	3.3
83.01384	2.3
85.02963	10.2
85.06580	5.3
87.00888	2.5
89.02452	51.4
92.05069	1.6
94.06612	5.7
95.01390	3.5
98.93711	1.0
101.02450	32.4
113.02466	21.1
113.09720	1.3
119.03511	25.1
127.71542	1.0
131.03531	2.1
138.05623	5.3
143.03528	2.6
149.04530	1.1
149.06235	1.1
155.31557	1.0
161.04547	2.2
173.04558	1.3
179.05544	3.2
179.60742	1.1
182.04556	4.7
189.11322	4.2
191.28107	1.2
236.74998	1.1
332.95844	1.1
337.15039	98.2
338.15433	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	337.1447
Annotation	3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
50.30380	0.7
59.01368	2.1
70.72480	1.7
70.72852	1.5
84.08962	0.7
105.75935	0.7
115.91453	0.7
119.05040	1.2
121.75291	0.8
180.05920	1.1
217.71133	0.8
222.06689	0.9
223.07654	100.0
224.08008	9.1
235.07661	14.1
237.09277	1.6
238.09966	6.1
239.10291	0.7
255.23318	1.1
277.12320	1.5
293.15503	68.7
294.12823	1.1
294.15802	8.3
297.58755	0.7
337.14484	56.3
337.18054	2.4
338.14883	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1449
Annotation	Hildgardtol A
Peak:m/z	Relative Intensity
51.06077	0.4
53.51559	0.4
70.04589	1.1
70.04972	0.9
79.05580	0.5
82.74007	0.4
94.85145	0.5
107.05033	2.5
119.05048	3.5
122.51122	0.5
123.00923	0.6
135.04601	0.5
147.04605	0.7
148.01675	2.1
149.06128	0.9
157.06624	4.1
159.04544	0.6
172.05237	0.5
174.06912	1.8
177.05641	1.8
187.07686	2.1
188.08524	0.6
189.09216	9.8
189.10817	0.7
190.09634	0.9
201.09235	5.2
203.07222	0.4
204.08011	0.9
215.10800	1.4
219.06691	1.4
223.07681	2.1
225.09314	0.7
225.40700	0.4
235.07658	1.0
237.09271	2.0
238.09970	1.1
245.09741	0.7
248.12105	2.5
249.12570	0.5
259.11469	0.5
261.12854	2.0
261.41406	0.4
262.13211	0.6
263.11215	0.5
263.14435	7.1
264.14804	1.3
265.15997	2.3
277.12338	16.5
278.13077	8.5
279.13379	0.8
280.00467	0.5
291.48718	0.4
292.11017	0.7
293.15503	100.0
294.15781	12.1
307.13428	3.3
308.13791	0.5
310.12100	2.2
337.14456	14.2
338.14737	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1449
Annotation	Hildgardtol A
Peak:m/z	Relative Intensity
57.03430	0.3
59.01394	1.5
59.28329	0.3
59.40516	0.3
69.70177	1.4
74.70950	0.3
77.75439	0.2
79.05523	0.4
93.03461	0.5
95.01427	0.6
96.95999	0.3
107.05032	0.8
108.02180	0.6
118.92472	0.3
119.05040	27.3
120.05371	0.9
121.02969	0.9
123.00908	0.4
131.08620	0.4
136.01677	4.7
143.05043	1.2
144.05852	0.7
145.02972	1.0
148.01714	0.3
157.06593	2.9
159.04547	1.8
159.08165	6.6
159.09445	0.6
161.02499	0.4
161.06187	0.3
163.07651	0.4
163.11369	0.3
175.04057	0.4
185.06107	0.4
187.04059	1.5
187.07657	1.8
201.05647	1.8
202.06427	1.1
203.07173	7.4
204.07483	0.5
205.90103	0.3
212.04745	0.4
216.07893	0.5
221.08159	2.7
223.07629	0.6
225.05594	9.1
226.05923	1.0
229.08842	0.4
235.11243	0.4
237.05594	8.2
238.05960	0.8
239.07135	0.9
248.06850	1.2
249.18658	0.3
251.07140	0.5
255.23506	0.4
265.08731	0.6
267.06638	3.1
268.06937	0.4
277.12375	0.4
279.06641	4.1
279.10251	1.2
280.07031	0.5
280.10846	0.5
282.08878	0.3
293.08414	0.3
293.15512	0.6
295.13409	21.1
296.13779	2.3
307.09686	0.4
309.14911	0.7
314.08112	0.4
319.22800	0.7
321.11548	0.3
322.11877	0.6
337.14474	100.0
338.14835	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	337.1083
Annotation	2-formylporphine
Peak:m/z	Relative Intensity
51.78134	0.3
57.03426	0.5
59.01385	2.4
65.00329	3.8
68.99830	2.4
71.54431	0.5
71.54851	0.4
79.05535	2.4
81.03468	0.5
83.01437	0.4
83.05085	0.4
91.05502	0.4
92.26890	0.4
92.97301	0.4
93.03468	1.1
95.04528	0.4
95.05048	2.4
96.96021	0.9
103.05556	0.5
105.07145	0.4
107.01414	0.4
107.71935	0.3
108.02155	0.9
111.73268	0.3
117.03464	0.6
117.07074	0.5
119.05060	4.0
121.02960	0.7
121.06606	2.4
123.04511	1.7
131.01480	0.4
133.06674	0.4
135.00879	0.6
135.04573	0.4
136.01700	2.2
137.06088	2.6
141.07109	0.5
143.05066	0.6
145.02946	0.5
145.06628	1.6
146.03719	0.5
147.04547	2.4
148.01703	1.3
149.99606	0.8
159.04556	0.7
161.02481	2.2
161.06085	1.9
162.03210	0.8
163.00337	0.6
163.04010	1.8
164.01106	0.9
165.05615	2.1
169.06587	1.3
171.04521	4.1
173.06071	2.2
175.00400	1.8
175.03902	0.8
175.07564	0.3
176.01122	1.9
176.04802	0.6
177.01984	0.7
177.05537	0.6
188.01163	0.4
189.01936	1.0
189.05598	1.9
190.02745	1.0
201.01939	0.5
201.05539	0.6
203.03569	0.8
204.04333	0.5
205.05045	2.9
206.05374	0.4
207.06406	0.4
207.08142	0.5
209.09679	0.4
211.07549	0.7
218.02151	0.6
223.11258	0.9
225.05676	0.9
226.06323	1.2
233.04524	5.0
235.07585	0.6
236.08160	0.5
250.09947	0.7
251.10680	1.1
252.07954	1.1
253.05066	1.2
254.05862	1.8
265.12280	1.1
267.07016	0.3
267.10306	1.6
278.09619	0.6
279.06656	8.1
279.09650	0.8
280.07208	2.0
291.10269	1.1
293.07993	0.4
293.11850	1.0
295.09772	1.5
309.11343	8.3
310.11734	1.0
322.08578	1.3
337.10834	100.0
338.07108	0.7
338.11160	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	337.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29201	1.8
50.55139	2.0
52.58017	2.0
55.01874	2.8
57.03458	5.3
59.01383	100.0
59.12823	2.5
69.18063	21.7
71.01387	32.7
71.05028	3.5
72.99307	3.4
73.02937	18.1
79.44675	2.0
83.01385	5.4
85.02958	12.5
86.02493	7.5
87.00880	11.0
87.04512	6.0
89.02463	28.8
94.06612	2.3
95.01388	3.2
96.04594	2.1
99.00887	6.9
99.04536	2.7
101.02467	21.5
108.04594	3.3
110.02517	2.2
113.02470	14.9
119.03529	11.8
119.05005	3.4
121.05338	6.4
122.06134	13.9
124.04022	2.2
129.09262	3.2
134.06136	9.5
136.07722	20.0
137.02409	2.3
138.05707	2.9
144.54456	2.1
147.05692	2.2
149.04820	24.5
157.08722	11.5
161.04659	9.9
162.05711	2.5
163.04060	8.8
164.07176	23.0
173.04652	3.7
174.09218	4.3
175.09770	13.9
176.10046	2.4
177.10353	6.3
179.05647	3.6
187.08542	2.3
189.06659	3.4
189.11349	4.2
191.03525	2.6
191.05771	2.7
202.08644	4.2
206.04391	7.1
213.10394	2.5
214.07375	2.1
215.11861	4.1
219.11288	11.6
219.29008	2.2
220.09798	4.1
225.10304	4.3
227.08368	3.4
228.08972	4.8
229.09830	21.2
230.10222	2.9
237.12503	3.6
241.06110	2.9
241.09860	7.4
243.11400	17.9
244.11667	2.5
247.10901	8.0
255.21323	2.1
256.08557	3.5
259.10944	7.7
270.10196	2.9
271.10895	63.4
272.11319	7.1
275.46390	2.1
277.11966	22.6
283.10843	3.2
289.12009	19.2
301.11896	29.0
316.89084	2.2
319.13034	39.1
320.13400	3.5
337.14911	96.7
338.08621	5.1
338.15344	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	337.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74602	22.8
59.01381	78.3
69.73110	100.0
98.20594	28.5
99.04526	25.2
111.29530	20.2
225.11345	24.9
274.63034	21.5
307.71793	17.6
326.28137	21.9
337.07959	32.8
337.16544	49.2
337.20276	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	337.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03453	2.1
58.00576	0.5
59.01384	14.8
68.99828	2.6
69.03461	1.0
71.01392	8.0
71.53873	0.4
72.99302	1.1
73.02949	3.4
74.03286	0.3
75.00883	4.7
77.08803	0.3
78.95926	0.3
81.03464	0.3
83.01394	2.2
83.05019	0.4
85.02959	9.3
87.00894	4.2
89.02459	4.6
95.01390	1.6
95.05011	0.5
96.99289	0.4
97.02961	1.1
99.00897	5.0
99.04543	1.5
101.02451	5.3
109.02998	0.4
110.98500	0.6
111.00892	2.1
111.02011	0.8
112.98827	0.4
113.02461	9.5
113.06126	0.4
113.99595	18.6
114.02770	0.5
115.00388	8.6
115.04018	2.3
119.03521	1.7
125.02422	1.2
126.09274	0.4
127.00371	3.5
129.01973	2.3
130.08791	0.6
131.03528	0.7
139.00354	0.5
139.04025	0.5
141.01909	0.5
142.99789	0.8
143.03468	0.4
145.01402	0.3
148.93182	0.3
157.01425	5.1
157.05058	0.8
158.08301	0.5
161.04558	1.5
163.03963	0.6
163.06018	0.4
169.01463	1.5
170.08260	2.1
171.08627	1.6
174.01703	18.9
175.02483	3.7
175.06140	1.2
179.05595	0.4
202.10860	2.3
203.11194	3.3
204.12492	0.4
205.12877	0.4
235.08144	0.4
277.05661	19.1
277.09027	0.8
278.06021	1.1
337.07770	100.0
337.10904	3.7
338.08072	9.0
338.14410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.078
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.03456	0.6
57.11900	0.5
59.01372	1.5
65.50246	0.3
68.99828	2.8
69.03451	0.6
69.66313	2.4
70.00161	0.4
71.01389	3.9
72.82121	0.4
73.02959	1.9
75.00876	1.3
83.01387	1.4
85.02953	5.2
87.00879	3.8
89.02462	3.6
90.97095	0.4
93.48547	0.4
94.76009	0.4
95.01371	1.1
97.02950	0.6
99.00882	4.3
101.02458	2.0
103.04021	0.4
105.01948	1.8
111.00899	1.6
112.01283	0.5
113.02455	5.8
113.99596	19.7
115.00395	7.7
116.02464	0.4
118.96625	0.7
127.00387	3.2
129.01973	2.6
131.03540	0.8
131.75920	0.5
139.00386	1.0
141.01961	0.4
149.04570	10.7
150.04889	0.5
157.01421	4.5
160.97717	0.6
165.04051	6.5
169.01433	1.1
174.01704	16.4
175.02364	1.5
182.68063	0.4
188.97191	0.7
222.83237	0.7
269.78259	0.4
276.98975	0.9
277.05658	18.9
278.05981	1.5
287.88623	0.4
289.02563	0.6
331.82568	0.4
337.07788	100.0
338.08069	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	336.9404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96927	0.7
55.38821	0.8
59.01384	1.1
69.30158	2.9
69.30586	3.5
82.94962	0.8
85.02954	1.2
87.00883	1.1
111.57056	0.7
113.02477	1.2
114.62770	0.9
119.93708	1.2
134.95059	1.0
134.96104	36.0
135.96191	2.7
136.94026	70.3
137.94095	4.8
151.92793	4.4
152.91779	34.0
167.90454	4.6
178.95085	100.0
179.95175	8.5
194.92830	55.0
194.95570	1.2
195.93111	1.3
210.90906	2.1
212.93893	2.8
250.93961	2.8
252.91866	3.1
274.88742	1.0
292.95013	13.7
293.95230	1.8
294.92963	17.6
295.93143	1.1
306.80786	0.7
336.94012	73.4
337.94254	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	335.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	68.4
70.19143	15.8
99.00633	11.2
122.80639	3.7
161.69676	4.2
221.46721	4.2
253.19266	8.1
253.21758	100.0
254.22122	7.0
291.26910	13.1
315.39331	3.9
335.22141	75.0
335.25705	7.3
336.22498	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	336.9404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96927	0.7
55.38821	0.8
59.01384	1.1
69.30158	2.9
69.30586	3.5
82.94962	0.8
85.02954	1.2
87.00883	1.1
111.57056	0.7
113.02477	1.2
114.62770	0.9
119.93708	1.2
134.95059	1.0
134.96104	36.0
135.96191	2.7
136.94026	70.3
137.94095	4.8
151.92793	4.4
152.91779	34.0
167.90454	4.6
178.95085	100.0
179.95175	8.5
194.92830	55.0
194.95570	1.2
195.93111	1.3
210.90906	2.1
212.93893	2.8
250.93961	2.8
252.91866	3.1
274.88742	1.0
292.95013	13.7
293.95230	1.8
294.92963	17.6
295.93143	1.1
306.80786	0.7
336.94012	73.4
337.94254	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	335.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85546	0.6
57.03449	2.4
59.01387	34.4
67.90195	0.5
70.22220	1.6
71.01392	5.3
73.02936	2.9
83.01395	0.7
83.04973	0.6
85.02966	1.9
87.04516	5.8
89.02460	1.0
95.01394	0.6
96.96022	0.6
97.06605	0.8
97.55401	0.6
99.00925	1.0
99.08176	4.0
101.02451	2.8
113.02474	1.8
113.09735	4.8
115.07672	0.8
124.07692	0.6
125.09691	1.2
127.07624	1.0
131.03458	0.9
143.10796	10.3
150.18419	0.5
153.57378	0.5
155.10759	0.8
157.08675	1.1
157.12399	2.7
161.04588	1.3
166.05151	1.5
185.11880	2.6
201.11363	1.1
203.12901	100.0
204.13251	6.7
210.04099	1.8
230.75177	0.6
273.12494	1.2
293.16141	2.7
335.08270	0.6
335.12430	3.2
335.17136	6.2
335.20810	8.8
336.17426	0.6
336.21085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03452	2.9
58.00597	4.1
59.01386	88.5
67.22550	1.1
69.65454	5.9
71.01388	55.2
72.99303	3.6
73.02972	2.9
83.01382	3.5
85.02961	9.0
89.02452	50.0
95.01389	5.2
99.04540	1.3
101.02451	35.9
111.04516	2.0
111.08176	3.3
111.19719	1.0
113.02457	23.4
114.96642	1.0
119.03521	22.8
125.06117	6.9
131.03471	1.7
133.88948	1.2
134.06125	2.0
137.06099	1.3
138.05623	5.2
143.03479	3.6
149.04601	1.8
155.03506	2.2
155.07137	5.5
161.04562	2.6
171.16635	1.2
173.08185	4.5
179.05644	3.3
187.06166	4.9
189.41234	1.1
211.60744	1.2
249.84290	1.3
335.13489	100.0
336.13910	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90969	1.6
59.01375	2.2
68.62338	1.7
69.34116	12.3
69.34529	4.8
96.96012	2.8
98.19862	3.3
115.53937	2.2
119.44247	2.0
131.05023	3.0
135.00850	2.1
144.05824	3.4
157.06598	2.6
159.84338	1.8
161.02473	3.5
172.05342	3.1
175.04004	9.4
187.07660	49.6
187.09251	4.1
188.04855	2.7
188.07950	2.9
194.85294	2.2
199.07610	10.0
203.03494	2.1
213.09235	4.9
217.05144	4.6
222.34784	2.0
227.00975	1.9
231.06616	2.8
261.12848	25.4
262.13223	4.2
263.10382	2.6
275.10788	34.7
276.11508	11.1
289.08652	2.6
290.09320	2.6
291.13928	100.0
292.14233	12.6
305.11874	44.0
306.12311	4.6
307.19458	2.1
335.12933	14.7
335.22659	3.2
341.74265	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93289	0.4
54.64769	0.4
59.01370	1.1
60.32066	0.4
71.54688	0.5
77.58265	0.4
92.41205	0.5
104.69115	0.4
117.03477	11.7
132.02170	1.0
132.92645	0.5
145.02972	1.6
153.97011	0.5
157.02917	0.9
193.06598	1.6
195.04378	0.5
208.05354	0.6
209.06079	4.7
221.06110	2.8
223.04037	0.8
223.79446	0.4
233.06128	0.5
235.03963	2.6
236.04765	0.7
237.05594	4.2
248.04865	0.6
249.05496	1.8
250.02853	0.5
263.03433	0.9
264.04221	2.3
265.05063	39.5
266.05414	4.1
276.04282	1.9
277.05066	24.3
278.05435	3.1
280.07431	7.7
281.07700	0.7
305.08136	1.6
309.50626	0.5
312.06393	13.5
313.06769	1.7
319.09525	0.8
320.10559	31.3
321.10931	4.0
335.12903	100.0
336.13245	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	335.099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75858	1.2
55.01870	2.7
57.03436	2.2
58.00584	2.8
59.01384	100.0
62.79238	1.4
64.53381	1.1
69.03471	1.7
71.01387	82.0
71.53422	1.9
72.99304	4.2
73.02953	32.5
78.95929	1.3
81.03450	1.8
83.01395	4.8
83.05050	1.4
85.02965	12.7
87.00874	4.4
88.04003	1.2
89.02454	54.1
93.03466	1.6
95.01392	3.2
99.00906	2.2
99.04533	2.5
101.01801	1.8
101.02460	33.0
103.04021	5.3
107.13849	1.1
110.98523	1.2
111.04545	16.9
111.08166	4.0
112.04062	1.2
113.02454	18.3
119.03514	14.6
123.03268	2.7
125.03571	12.8
125.06073	8.3
126.00186	5.1
127.04037	2.0
131.03513	46.5
132.03894	1.5
134.06178	5.7
137.02475	8.1
138.05640	14.0
139.05928	1.3
143.03520	13.5
143.07132	1.4
147.02989	1.2
148.87608	1.2
149.04593	2.6
155.03520	16.5
155.07095	6.4
161.04585	6.3
170.88339	1.4
173.04573	1.8
173.08211	4.6
179.05655	2.9
187.06161	7.0
203.09117	1.5
218.14005	4.0
230.09915	1.2
233.06660	10.7
235.63506	1.3
275.07663	3.5
275.11066	1.3
293.08896	1.8
335.09903	4.4
335.13480	58.3
336.13785	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	335.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98735	1.3
59.01383	11.1
60.39596	1.3
64.31422	1.3
69.71667	8.4
71.01373	4.2
71.44098	1.1
78.93606	1.3
80.05063	5.1
89.02436	2.2
92.05068	2.2
94.06631	12.1
101.02452	1.7
107.03877	1.9
108.04578	17.1
110.06097	3.2
120.04546	9.3
122.02471	5.7
122.06121	4.5
124.04028	2.6
124.07671	5.9
136.04044	4.2
138.05632	6.2
147.36037	1.4
148.04060	7.6
150.05621	9.5
154.05093	1.6
166.05103	91.9
167.05389	4.4
173.11795	2.1
182.04587	2.9
194.04567	6.0
210.04097	100.0
211.04385	4.2
215.11848	5.4
217.14447	5.2
226.11198	2.2
273.12430	4.5
296.69727	1.7
305.77094	1.3
317.11404	7.9
335.12451	30.1
335.17001	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	335.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
59.01384	17.3
67.05531	3.9
70.09859	4.5
71.01395	10.3
75.73476	1.0
81.03474	2.2
83.01413	1.2
83.05029	2.5
85.02966	2.7
89.02448	12.2
93.03480	1.1
93.05419	1.2
101.02460	4.2
101.39150	0.9
109.02953	1.1
111.04530	100.0
112.04905	2.5
113.02465	4.8
119.03506	3.3
127.04040	3.3
137.02461	30.2
155.03516	99.3
156.03845	4.1
215.21019	1.1
236.76207	1.1
346.05515	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	335.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51131	0.3
59.01383	0.6
69.22111	1.9
69.22545	1.3
73.02979	0.3
79.01879	0.4
80.02690	2.0
96.96091	0.4
107.01405	11.7
108.02186	13.8
115.20643	0.3
121.02992	1.0
123.00906	2.6
123.04547	1.2
124.01700	0.6
136.01674	32.2
137.02020	1.5
149.02434	3.6
150.26215	0.3
163.03935	0.3
223.84839	0.3
239.07106	0.8
241.96999	0.4
255.10280	100.0
256.10629	10.4
335.05951	25.7
336.06168	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34737	0.9
57.11464	0.9
58.02967	3.1
58.65165	0.9
59.01390	13.4
69.03447	1.1
71.01390	6.5
71.53255	0.9
72.99332	1.0
80.30345	1.0
81.03432	1.4
83.01393	1.5
83.05029	5.5
84.04566	1.7
85.02943	1.9
86.06099	1.4
87.00858	1.5
89.02465	4.5
95.01379	1.1
98.06130	1.9
100.04063	1.3
100.07689	6.9
100.30042	1.0
101.02446	4.0
102.09282	4.3
109.02989	2.3
110.06124	4.7
111.06906	4.0
112.04023	6.0
113.02480	2.2
113.04437	1.7
113.57238	1.0
114.05668	1.1
118.05122	2.3
119.03526	1.9
124.04036	2.6
125.04415	1.8
125.99596	1.3
126.05684	5.5
126.09261	34.7
127.09580	1.4
128.07187	21.8
128.10828	3.1
136.04083	1.2
140.07202	1.4
140.62216	1.2
141.07486	1.0
142.05069	1.3
146.08253	7.1
154.08723	2.0
161.04555	1.2
168.00691	1.1
172.09677	1.1
184.06192	8.4
185.06566	9.8
185.09303	1.3
186.11362	1.0
195.15041	1.2
201.25722	0.9
204.08728	3.1
204.12422	100.0
205.12764	5.9
208.89537	0.9
271.10883	2.5
289.21320	1.7
297.11996	1.6
315.19260	3.3
333.16727	6.2
333.20306	72.8
334.20663	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	335.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	1.6
65.00318	2.3
71.00330	0.8
83.01386	2.9
106.97067	0.3
107.01398	3.7
125.02422	0.3
136.01662	0.3
137.82355	0.3
145.06618	3.4
151.00372	4.6
164.01154	1.0
168.46329	0.3
169.06596	1.6
171.04539	2.8
172.05212	0.7
183.06746	0.3
183.08186	0.5
185.06035	0.9
187.07683	1.7
211.07628	2.2
212.08131	0.4
213.05568	7.0
255.06642	100.0
256.06995	9.9
324.49268	0.3
335.02325	7.6
336.02710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.5
57.03448	5.3
58.00566	2.1
59.01385	74.4
67.05519	1.7
69.03453	2.0
69.98418	8.0
71.01388	55.3
72.99310	4.8
73.02952	14.8
75.00892	1.8
81.03470	1.7
83.01376	4.1
83.05032	2.0
85.02949	10.8
87.00889	4.4
89.02457	35.7
93.03471	51.6
95.01402	3.6
99.04544	3.2
101.02451	28.7
110.98525	2.9
111.04532	36.0
111.08184	3.2
113.02457	17.0
115.04010	1.9
119.03521	14.5
123.03244	1.7
125.02639	2.8
125.03573	10.3
125.06123	13.9
126.00190	3.4
126.09302	1.7
127.04005	1.9
128.07253	1.7
131.03516	13.4
134.06136	4.4
137.02460	100.0
137.06017	1.9
138.02809	4.1
138.05606	9.2
143.03505	4.8
143.07106	1.6
155.03517	39.5
155.07123	6.5
161.04535	5.3
173.08188	6.4
179.05562	2.5
186.11343	2.4
187.06068	11.0
195.99670	1.7
204.12286	2.6
205.12721	5.1
206.12817	2.2
218.14026	10.0
222.23372	1.6
233.06538	2.7
273.12537	2.7
292.74594	1.5
299.07602	4.5
334.20447	2.5
335.06277	3.9
335.09778	8.1
335.13446	40.0
335.17578	2.6
335.20682	3.3
336.13297	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	333.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46577	24.4
59.01392	60.6
59.62975	23.1
61.21789	23.8
63.46396	22.4
69.97860	50.6
69.98268	92.8
74.94191	25.7
89.18571	25.3
91.33489	32.4
93.15395	28.0
96.25877	26.8
139.11345	36.9
162.35973	25.1
166.99010	26.1
198.89430	26.3
217.15959	40.0
233.11665	47.0
251.16496	100.0
253.18126	98.9
254.86909	24.5
255.13698	31.9
273.14664	48.9
314.97858	51.1
315.19446	30.5
333.20676	66.3
334.24185	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
57.03460	7.8
59.01385	45.7
60.01723	1.2
69.03473	3.1
71.01387	24.3
71.05030	6.5
72.99288	2.6
73.02950	15.5
75.00861	1.8
83.01391	1.6
83.05037	2.8
85.02959	4.8
85.06622	1.7
86.56390	1.1
87.00890	1.9
87.04522	100.0
88.04868	3.2
89.02454	2.5
95.05044	1.6
97.06609	3.9
97.83098	1.3
98.19959	3.2
99.00924	1.9
100.04988	1.2
101.02444	2.9
108.04568	4.1
109.06626	1.6
111.04557	1.2
111.08135	1.3
113.02441	2.0
116.06046	1.3
123.08178	1.4
124.07728	1.4
129.05605	4.8
131.03529	2.4
133.03008	2.0
139.07669	2.2
139.11310	18.7
139.19093	1.1
141.05563	1.3
141.09232	9.6
143.07167	2.4
147.06648	4.3
149.04591	5.4
151.07657	1.2
152.03500	1.4
153.09203	3.3
155.10741	2.0
157.08708	8.6
157.12321	3.9
164.03537	2.1
165.04041	1.5
171.10309	1.4
183.10320	4.3
185.08214	9.8
191.37253	1.2
201.07719	7.2
201.11343	95.7
202.11603	5.6
208.02585	2.0
208.85588	1.3
209.03178	1.5
215.09248	3.8
228.98991	1.4
271.10980	1.6
289.11890	3.3
315.18048	1.3
327.50201	1.1
333.11337	5.3
333.15530	17.4
333.19196	28.2
334.15909	1.8
334.19669	2.8
350.17294	1.3
354.00146	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	333.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89370	1.0
55.01861	1.1
56.61277	0.9
57.03448	2.9
59.01109	1.8
59.01384	23.7
65.99841	2.5
68.16962	0.9
69.03473	1.6
69.46300	1.1
69.79398	5.3
71.01390	7.9
71.05036	1.4
71.14030	1.0
72.99313	2.9
73.02934	6.4
75.00900	1.1
81.03469	2.4
83.05059	1.7
85.02952	2.0
87.00886	1.7
87.04513	7.4
88.04012	1.3
89.02458	3.1
93.03466	1.1
94.02966	2.8
95.05054	3.3
96.04560	2.8
97.02944	1.6
97.06586	1.4
99.00950	1.2
99.04534	2.4
101.02441	3.6
101.06114	2.1
104.05057	2.9
106.04279	1.4
108.04537	1.5
109.06606	1.1
113.02404	2.4
113.06132	1.4
115.07596	1.9
120.04578	2.3
121.06627	2.5
122.06136	16.9
123.08183	2.7
124.07678	1.8
129.05577	1.1
133.04219	0.9
133.05083	6.0
133.63200	1.0
134.02490	1.3
136.04105	1.3
138.05600	4.5
139.07651	1.7
139.11311	1.9
141.09216	3.3
146.06117	1.3
147.03082	1.7
148.04094	4.1
149.04509	2.0
152.01160	2.3
153.09239	1.3
155.07092	1.1
157.05104	1.2
157.08711	2.5
160.03969	1.4
161.04759	2.7
162.05579	2.5
166.05083	3.2
167.03485	2.6
167.04828	1.1
171.10283	1.7
173.08188	1.3
174.05617	1.4
175.05098	2.2
182.51224	1.0
184.07704	1.1
185.08279	7.4
185.11826	9.5
187.06346	2.1
199.06427	3.0
200.10751	2.0
201.07681	3.8
201.11357	25.9
202.08757	17.2
202.11786	1.5
203.04680	2.5
212.07213	1.9
213.08205	5.6
215.09258	1.5
217.09833	2.1
219.11360	1.2
226.08646	1.2
227.04755	1.5
227.08170	1.3
228.10341	23.5
229.10428	2.4
241.06201	6.6
242.06952	7.1
243.03041	3.0
243.07462	1.6
243.11490	2.7
245.12996	2.3
255.07858	2.8
256.08551	16.4
257.08929	1.3
269.09308	2.2
271.10901	100.0
272.11209	9.3
280.71466	1.1
289.11920	9.9
297.08838	12.8
300.06427	2.2
314.97919	1.2
315.09872	18.6
315.17914	1.7
316.09967	3.1
333.11243	16.1
333.15448	6.7
333.19150	30.1
334.19553	3.0
339.99945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70905	0.4
56.32312	0.4
59.01371	1.1
62.36523	0.4
64.01899	0.5
69.19193	1.5
69.19621	1.9
71.01380	1.6
71.97650	0.3
72.15556	0.4
73.02955	0.4
78.03498	0.8
80.05036	0.6
85.02957	1.0
89.02462	0.4
91.18784	0.3
92.05067	2.4
94.02997	0.6
94.06638	3.7
101.02438	1.0
103.89124	0.3
104.05071	2.5
105.03461	2.5
106.05945	0.8
106.06636	13.0
107.03810	0.6
107.06981	0.5
108.04578	2.1
113.02490	0.6
120.04569	6.0
121.05382	1.8
122.02522	0.4
122.06137	16.3
123.03292	2.7
123.06476	0.4
124.07678	0.8
131.03705	0.8
132.04565	7.8
135.03238	0.9
136.04034	0.7
138.05624	25.3
139.05946	0.5
148.04053	0.9
150.05600	3.2
161.04594	0.4
166.05070	0.9
174.12910	0.9
184.11389	0.6
188.07156	0.6
189.07939	1.7
198.08073	0.4
201.11426	0.5
202.12384	0.4
209.11621	0.4
213.06668	0.7
214.07501	0.4
215.11925	1.8
217.07481	1.5
226.07303	0.4
228.08939	0.5
229.09850	1.1
231.09093	0.8
231.11349	1.0
241.09863	3.6
243.11417	1.6
246.11137	0.5
259.10803	0.8
268.00839	0.4
271.10840	1.2
289.11960	100.0
290.12296	10.6
317.66287	0.4
333.06952	0.7
333.10904	8.3
334.11438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01373	2.5
67.91311	0.6
71.01382	0.8
71.54498	0.7
71.54885	0.6
73.02959	0.7
75.32394	0.6
78.03500	0.7
80.05064	12.6
81.05421	0.5
85.02943	0.6
86.28428	0.6
89.62371	0.6
92.05087	3.4
94.06640	4.9
96.29711	0.5
99.00888	0.6
101.02446	1.1
103.04301	0.7
104.05068	2.4
105.03468	2.0
106.06641	11.5
107.03790	1.3
108.04555	2.1
113.02486	0.6
116.89799	0.5
120.04566	6.3
121.05294	2.2
122.06140	18.9
123.03270	2.6
123.06450	0.6
124.04052	3.7
124.07639	0.7
132.04578	6.5
134.06146	2.1
135.03262	0.8
136.04042	2.5
138.05638	19.7
139.05945	0.6
141.09265	1.6
148.04094	1.4
150.05605	2.5
152.07182	5.4
164.03539	0.7
166.05096	0.6
174.12933	0.7
185.11807	1.4
188.07195	1.1
189.07986	1.1
201.11298	1.6
213.06793	0.9
214.07298	0.6
215.11739	0.8
217.07420	1.2
219.82309	0.6
228.08942	0.8
231.09029	0.7
241.09906	2.9
243.11351	1.8
245.12918	2.2
258.10239	0.7
271.10852	1.6
289.11966	100.0
289.35162	0.6
290.12299	9.3
333.10928	11.8
333.15005	1.1
333.19070	1.1
334.11221	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	333.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02757	13.8
59.01385	76.8
62.83677	17.8
68.66218	15.3
70.59689	42.6
71.01383	51.8
78.95915	92.5
85.02950	18.1
87.00879	16.0
89.02445	30.0
97.02954	18.1
101.02476	20.8
116.07163	42.8
152.99586	75.2
160.06084	17.8
179.05565	19.3
213.05727	14.9
215.59200	15.6
241.01286	37.8
297.11868	60.4
319.98016	16.4
333.05933	74.9
333.09604	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	333.096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32704	9.4
59.01386	100.0
70.70706	11.4
70.80882	12.8
70.81206	21.8
71.01383	37.2
73.02940	16.5
78.95894	60.8
82.39381	12.2
83.01382	11.4
87.00832	12.7
89.02436	25.4
101.02419	17.1
111.08018	11.1
113.02453	17.9
116.07172	23.8
117.01955	12.7
119.03519	9.7
119.12171	10.9
136.04060	12.0
139.07597	12.3
152.99629	42.1
161.04660	17.4
178.29007	11.3
201.07704	43.1
210.36061	9.8
241.01172	22.5
254.22327	10.2
297.11856	35.1
333.05811	40.0
333.09607	63.8
333.15829	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	332.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
56.92266	0.4
57.03440	0.9
58.00587	0.7
58.02971	0.7
59.01385	27.0
69.03433	0.5
71.01389	10.1
71.54395	0.7
72.99313	1.3
73.02956	2.5
81.03473	0.6
83.01396	1.5
85.02947	4.0
87.00873	1.0
87.04510	0.6
89.02447	5.0
90.97068	0.6
96.08219	0.6
97.01707	0.7
97.02947	0.9
99.00890	1.1
99.04491	0.8
101.02436	7.0
109.05332	0.7
110.06146	1.2
112.04055	0.6
113.02465	4.0
117.25748	0.5
119.03503	2.5
121.06624	0.8
121.79246	0.5
122.06139	1.5
123.03313	0.9
124.07700	8.7
125.02441	1.0
128.07222	2.4
135.04527	0.7
136.07678	1.1
137.04860	4.1
138.05653	2.7
138.09268	2.7
139.00348	1.7
139.07668	1.1
140.00694	1.5
140.07170	1.6
143.03482	0.8
144.03018	0.5
149.04515	0.9
152.07182	100.0
153.07527	4.6
153.99370	0.5
154.02707	1.2
155.03104	1.0
155.07140	0.7
157.08752	1.8
159.03052	0.5
161.04585	2.4
167.07219	0.8
169.05110	1.1
170.00928	0.9
170.05365	1.0
170.08195	2.5
180.35066	0.5
182.08209	4.9
183.06618	0.8
185.07976	2.5
185.09567	1.1
200.09282	5.7
201.07698	2.9
201.09444	0.9
201.11444	0.6
209.41951	0.6
215.09277	0.9
216.09656	0.6
271.10849	1.4
289.12042	1.6
290.12424	2.7
332.06647	1.0
332.13858	6.9
333.11334	1.5
333.15103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
57.03458	4.3
59.01383	13.6
60.58722	1.0
65.18232	0.8
69.71372	4.7
70.02977	4.0
71.01009	1.6
71.01389	25.3
72.00922	1.7
72.04553	10.8
75.00884	2.1
77.72129	0.8
81.03460	1.0
82.02979	2.6
82.06608	1.2
83.05030	7.4
84.04548	7.1
85.02950	1.2
89.02437	1.0
97.02961	0.8
98.02476	10.8
98.20694	0.9
100.07699	7.1
101.02500	0.9
108.02184	1.0
109.02993	1.5
110.06145	3.5
111.06918	3.8
112.04055	26.5
113.02452	1.6
115.36594	0.8
122.06075	1.9
124.01695	1.8
124.04070	17.4
125.02456	4.5
126.05623	41.2
126.09258	35.6
127.04041	1.1
127.05916	1.3
127.09586	1.1
128.03540	2.8
137.99596	1.0
138.05629	3.8
140.07181	7.7
144.06659	3.6
147.03021	2.9
149.99635	1.4
151.00385	2.4
153.01962	15.1
153.10413	0.9
154.02495	1.3
154.08755	4.0
156.10342	1.0
165.04076	2.1
166.05070	1.6
167.03496	3.1
168.00636	3.2
168.04262	7.7
169.01404	3.6
169.05038	2.6
171.11382	1.4
184.06163	63.9
186.11375	2.6
203.14021	5.0
204.12454	4.3
209.12997	0.9
227.13988	4.9
243.17133	3.7
253.15604	1.8
259.16672	29.0
259.19449	2.0
260.16971	1.7
269.18790	1.9
271.16644	1.6
287.19818	3.9
313.05695	1.0
313.17776	5.4
331.06793	4.5
331.18759	100.0
332.09940	2.3
332.19086	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	332.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
58.02973	2.3
59.01385	15.1
61.30455	0.6
69.80498	3.0
70.02988	1.2
71.01390	9.2
72.04557	0.6
73.02967	0.7
75.00869	2.7
84.04563	3.0
85.02961	1.7
87.00881	0.6
89.02451	1.0
94.03005	0.8
97.01728	1.3
98.02493	1.4
98.06149	1.8
99.00883	0.7
100.04064	2.0
100.07700	0.9
101.02473	1.5
110.02505	1.6
112.04066	33.4
113.02527	0.6
113.04393	1.4
118.05118	2.6
120.40552	0.6
122.06168	3.3
122.95981	0.5
123.03253	0.9
124.04063	27.2
125.02489	0.9
125.04391	0.6
126.05650	4.5
126.09283	2.6
127.05956	1.8
127.09618	2.6
128.07184	2.4
129.01976	0.8
138.05620	5.1
140.07201	13.7
142.05118	0.6
146.08269	1.1
147.03052	3.5
153.01889	0.7
154.02289	0.6
154.08792	0.5
160.06212	1.3
165.04076	3.4
166.05092	2.3
181.38797	0.6
183.09996	0.5
184.06174	100.0
185.06566	4.8
185.09370	1.1
204.08733	2.6
205.12473	0.7
240.49837	0.5
259.16626	0.7
260.16898	3.1
294.86676	0.5
314.18237	0.9
332.06570	0.6
332.10336	4.5
332.13690	1.1
332.19095	16.2
333.16495	5.9
333.20151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	18.2
57.03458	7.4
59.01383	3.3
69.03461	14.5
70.84904	1.6
70.85224	2.7
71.01380	10.0
71.05021	4.8
73.02956	1.6
75.00872	4.8
76.03847	1.1
85.02947	3.2
88.50613	1.1
89.02466	4.9
98.20581	1.4
99.00893	9.6
101.02478	5.7
111.04413	1.3
111.08169	3.9
113.06098	2.6
117.01962	1.8
119.03521	1.8
129.01964	29.8
130.42305	1.3
138.66266	1.2
139.11307	20.7
147.03014	47.0
148.03247	1.3
148.31181	1.2
183.10286	100.0
184.10590	4.9
199.09882	2.1
304.27322	1.4
321.09283	1.2
322.27066	1.2
331.14044	28.8
331.17850	2.2
332.14398	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	331.1401
Annotation	Trp-Ala-Gly
Peak:m/z	Relative Intensity
50.69466	0.8
57.03443	2.4
59.01385	7.5
65.00312	2.3
69.03500	0.9
69.82870	3.7
71.01390	4.6
71.05025	6.1
73.02933	0.9
81.03465	2.3
83.01389	7.3
83.05015	1.1
84.01711	0.9
84.02177	0.9
85.02963	2.5
87.00868	0.9
87.04526	1.6
89.02454	2.9
95.05032	1.3
97.02953	12.6
99.04543	4.0
101.02452	3.0
107.01386	4.4
107.05003	1.0
109.02988	7.3
109.06599	3.7
111.04518	1.4
111.08180	2.3
113.02450	2.4
115.04027	25.0
119.03433	0.9
119.05030	1.3
121.06600	7.9
122.03760	1.1
123.03274	1.3
123.04525	3.2
123.08177	1.5
124.01659	1.4
124.03577	0.9
124.05340	3.8
125.01546	1.0
125.02457	19.1
125.06111	3.9
126.02715	0.7
127.04031	3.5
127.07664	20.7
127.08556	1.7
127.13889	0.8
131.01384	0.8
133.06602	3.3
135.04536	0.9
137.06090	6.6
138.05603	4.4
138.06509	0.8
139.00381	4.0
139.06027	5.7
139.07668	23.5
139.08746	1.3
140.08012	1.1
143.11845	0.9
149.02367	1.3
149.04567	1.0
149.06108	8.2
151.00388	21.2
151.07672	5.9
152.00691	1.0
152.07179	11.2
153.01915	0.8
154.02742	3.8
155.07170	3.3
157.08733	3.9
167.03564	1.8
167.07147	19.4
168.00682	1.1
168.07672	0.8
169.01424	9.3
169.05128	4.0
169.08701	3.6
175.00389	2.6
181.08730	4.7
183.06702	0.8
183.94987	0.7
185.08206	5.0
187.09775	5.5
193.01437	2.7
199.06071	1.5
200.09346	0.9
211.02480	1.8
215.09258	31.2
216.09641	2.2
269.13885	2.9
287.15024	8.6
288.15393	1.4
293.12439	1.6
295.11850	10.9
296.12167	1.6
304.12491	0.8
331.06863	30.5
331.14001	100.0
332.07089	2.7
332.14288	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	331.1553
Annotation	Pestalotiopsone A
Peak:m/z	Relative Intensity
59.01364	1.2
71.01375	0.7
71.32020	1.4
90.15874	0.7
93.03476	0.8
107.05033	0.9
117.76694	0.6
121.02942	0.9
122.03771	1.1
136.01599	0.8
143.05020	2.0
148.01646	1.0
149.02435	2.2
159.04514	3.3
159.08188	0.9
161.02408	1.3
161.06171	0.8
163.00346	3.5
171.04735	0.6
173.06070	1.9
175.00394	1.2
176.01146	3.1
185.06052	1.2
187.00383	0.8
187.04012	2.8
188.01144	1.0
188.04790	3.1
189.05560	2.5
193.01379	4.8
194.01907	0.8
201.05597	0.8
202.06178	0.7
203.07156	18.0
204.07471	1.4
205.01578	0.6
207.02963	9.9
215.03549	0.9
217.04968	3.4
219.03000	4.3
229.04938	2.0
230.05745	1.7
233.04552	2.0
243.14130	1.0
247.06125	19.2
248.06525	1.2
255.13885	1.1
262.04688	1.5
299.12900	14.0
300.13144	1.1
331.15518	100.0
332.15894	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	331.1401
Annotation	Trp-Ala-Gly
Peak:m/z	Relative Intensity
51.38788	0.5
55.01882	1.0
57.03450	1.9
59.01385	9.9
63.89998	0.6
65.00343	0.6
69.03458	2.6
70.07615	2.1
71.01389	5.6
71.05022	7.1
73.02962	2.3
75.00907	0.8
81.03462	2.6
83.01416	2.4
83.05042	2.8
83.84296	0.6
84.02180	1.3
85.02968	2.9
87.00890	1.3
87.04520	1.9
89.02454	2.4
93.03483	0.9
93.31355	0.6
93.36716	0.6
95.05035	1.7
97.02956	13.2
99.04543	4.7
101.02457	2.2
107.01402	0.8
107.05038	1.2
109.02973	5.8
109.06585	3.8
111.04562	1.2
111.08142	3.8
113.02473	1.5
115.04023	26.4
119.03458	0.6
119.05040	2.3
121.03020	0.7
121.06597	6.7
122.03737	1.0
122.06113	1.1
123.04526	3.6
123.08168	1.9
124.05317	3.1
124.07708	0.8
125.02446	3.1
125.06104	3.6
127.04031	5.4
127.07667	17.4
127.08557	1.3
128.08020	1.9
133.06615	1.7
134.06073	0.7
135.04596	0.7
136.07700	1.1
137.06123	5.8
137.08009	0.7
138.05632	1.4
138.09297	4.1
139.00378	27.9
139.06003	1.1
139.07658	20.7
140.00748	0.9
140.08032	0.8
145.05128	1.1
145.06557	0.8
146.06160	0.7
149.02470	1.1
149.04610	1.8
149.06088	11.8
151.00394	2.5
151.07664	5.3
152.00920	0.8
152.07172	12.8
152.08267	1.2
153.01988	2.0
154.02742	20.0
155.03128	0.6
155.07150	4.5
157.08734	1.6
161.04623	1.0
163.00432	0.7
163.07637	0.9
167.07150	20.2
168.04279	0.7
168.07466	0.7
169.01408	1.8
169.05078	19.8
169.08719	5.7
170.05446	1.1
173.06093	1.1
181.05080	0.7
181.08711	0.7
182.08199	5.7
183.06633	2.2
183.08304	0.7
185.08209	8.0
187.09723	6.9
191.05737	0.7
191.07124	3.7
193.01407	3.9
195.05220	0.8
199.04446	0.7
199.06129	2.8
199.07954	1.0
199.09827	1.0
200.09346	4.5
211.02496	7.0
213.07622	1.1
215.09251	39.8
216.09593	2.2
223.02544	0.9
226.12431	0.7
228.04291	1.5
235.06117	2.3
241.03520	1.9
251.12930	1.9
269.14005	3.4
287.10272	1.0
287.15045	12.3
288.15396	1.0
295.11832	5.8
301.07132	0.8
316.09427	1.3
331.14011	100.0
332.14215	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30011	0.5
63.02406	1.0
64.84488	0.5
71.37469	0.6
75.97426	0.5
83.01375	0.7
93.03463	5.2
95.01373	0.9
98.19924	1.1
107.01379	1.3
107.05029	12.8
108.02224	2.8
109.02965	1.3
121.02966	2.4
123.04490	1.0
125.02439	2.2
135.04535	35.4
136.04839	1.2
137.02480	2.7
149.02477	1.4
151.00325	2.7
151.04007	2.0
163.00328	0.6
165.01939	13.8
166.02315	0.6
170.10570	0.6
211.07600	5.2
212.08446	20.4
213.08781	2.7
225.09248	6.4
226.10001	42.5
227.10764	35.2
228.11139	4.0
231.02942	0.6
241.08676	1.1
241.12360	24.8
242.12700	2.5
253.08553	0.8
254.09477	2.1
255.09845	0.6
258.09155	0.6
269.11823	7.4
270.12195	0.6
285.07748	0.6
287.12891	6.7
301.03500	4.1
313.10782	0.7
316.05829	0.8
331.08215	12.1
331.11856	100.0
332.08551	1.3
332.12201	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	331.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30011	0.5
63.02406	1.0
64.84488	0.5
71.37469	0.6
75.97426	0.5
83.01375	0.7
93.03463	5.2
95.01373	0.9
98.19924	1.1
107.01379	1.3
107.05029	12.8
108.02224	2.8
109.02965	1.3
121.02966	2.4
123.04490	1.0
125.02439	2.2
135.04535	35.4
136.04839	1.2
137.02480	2.7
149.02477	1.4
151.00325	2.7
151.04007	2.0
163.00328	0.6
165.01939	13.8
166.02315	0.6
170.10570	0.6
211.07600	5.2
212.08446	20.4
213.08781	2.7
225.09248	6.4
226.10001	42.5
227.10764	35.2
228.11139	4.0
231.02942	0.6
241.08676	1.1
241.12360	24.8
242.12700	2.5
253.08553	0.8
254.09477	2.1
255.09845	0.6
258.09155	0.6
269.11823	7.4
270.12195	0.6
285.07748	0.6
287.12891	6.7
301.03500	4.1
313.10782	0.7
316.05829	0.8
331.08215	12.1
331.11856	100.0
332.08551	1.3
332.12201	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	331.104
Annotation	Koaburaside
Peak:m/z	Relative Intensity
55.01878	0.6
57.03452	0.6
59.01390	5.4
63.54178	0.6
64.64802	0.6
69.22794	5.8
71.01391	1.8
71.05038	0.7
72.99297	0.7
73.02964	1.0
75.69244	0.5
83.01400	0.9
85.02966	1.1
87.00880	1.0
89.02460	1.5
95.05061	0.9
97.02953	0.7
99.04526	1.0
101.02467	1.3
109.06580	1.0
111.00871	1.0
111.08167	3.7
113.02472	1.1
113.06133	0.6
115.04017	0.9
119.05054	0.7
121.06560	0.5
122.03745	0.7
122.06195	0.7
125.02486	1.9
127.04031	2.2
132.04567	1.3
137.06081	3.2
137.08047	1.4
138.09288	2.1
139.00388	100.0
139.07678	2.2
140.00711	4.6
149.04546	3.4
150.05640	0.7
151.00372	1.5
153.01987	1.5
154.02734	73.1
155.03073	2.8
155.07138	1.9
155.09061	0.7
169.05077	79.4
170.05376	4.0
181.05135	1.0
182.08247	2.6
183.06610	2.5
191.07169	1.3
198.07553	0.7
199.06129	5.1
199.09795	0.6
200.09285	2.5
215.23419	0.5
216.98804	0.6
221.33476	0.6
235.06110	0.7
285.07712	0.7
300.09879	1.0
316.09500	0.8
331.06689	1.2
331.10303	1.9
331.14212	3.9
331.17654	1.1
332.13565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.7
70.94308	1.4
71.01388	2.9
71.55287	2.0
93.03476	2.6
96.96024	3.3
108.02197	3.2
109.02967	4.8
116.02925	1.5
117.01905	1.4
117.48998	1.3
121.02978	4.5
123.00915	3.8
123.04553	1.9
124.01665	9.6
125.02466	2.8
132.02202	1.9
133.03024	1.6
136.01680	17.7
137.02444	16.5
139.11313	2.4
144.50851	1.9
148.01695	8.2
149.02448	35.8
149.06055	2.0
150.03194	6.7
151.00305	3.6
151.04001	26.0
152.01181	1.8
153.01974	4.5
160.01669	5.2
161.02452	43.6
162.02954	3.0
163.04033	5.2
164.04790	5.3
165.05504	3.4
171.10323	3.0
175.04074	1.6
175.07681	2.9
189.76685	1.6
199.03885	1.7
202.06305	2.9
227.03415	2.6
229.04947	1.9
240.04314	4.3
241.04990	2.1
251.76016	1.9
257.04395	2.0
258.05615	1.8
268.03735	5.3
269.04382	4.8
270.05295	4.8
271.02573	3.4
271.05865	3.5
273.03265	3.0
275.05597	2.1
283.06149	3.6
285.07611	5.7
286.04852	66.3
287.05219	5.6
287.12878	1.9
301.07190	52.1
302.07370	4.0
316.05051	15.4
316.09491	100.0
317.09811	12.7
331.07608	16.6
331.11871	77.5
331.15048	2.1
331.18484	2.4
331.20029	2.5
331.24374	24.4
332.12286	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	331.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
57.82939	0.6
57.90344	0.5
58.77825	0.5
59.01389	1.2
63.02409	4.2
63.31612	0.5
65.00327	2.3
80.53345	0.5
83.01396	2.9
95.01394	0.8
107.01396	7.2
108.02213	2.5
109.03000	0.5
115.42455	0.5
117.00841	0.5
123.00867	2.0
124.01680	12.3
125.02462	15.6
126.02800	0.6
133.03006	0.6
136.01677	2.3
136.05249	0.5
137.02449	1.9
140.01212	1.1
149.02451	3.7
150.03203	1.4
151.00378	11.5
151.07658	1.0
152.01021	0.9
155.03433	1.1
159.04475	0.5
163.00420	1.5
163.04013	0.9
163.07629	1.0
164.01166	4.5
165.01964	2.6
166.02718	1.1
169.01500	0.7
173.02499	0.5
175.00340	0.9
176.01193	1.4
177.01935	7.4
178.02667	1.7
185.05992	0.6
187.04015	0.8
189.05440	0.5
190.02985	0.5
191.03476	3.4
196.00078	2.4
201.05655	0.8
205.05003	0.6
211.04033	1.3
215.03453	2.2
218.28888	0.6
227.03674	0.6
229.04973	1.7
231.02931	1.5
232.03632	0.7
233.04570	4.5
240.04263	0.9
241.05119	0.6
246.05348	1.6
247.06042	1.2
255.03073	1.8
257.04556	1.8
257.11804	1.5
273.04019	2.0
283.02432	1.9
285.04077	2.4
287.12793	1.2
298.04904	1.1
300.02731	1.9
301.03568	22.6
302.03888	1.9
303.08795	2.0
315.05084	2.7
316.05887	16.7
317.06293	1.6
331.08249	100.0
331.11554	3.6
331.24899	3.7
332.08594	9.9
332.12329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41721	0.6
59.01378	1.9
59.13255	0.6
61.30743	0.5
63.02412	0.8
63.49190	0.6
70.55205	1.1
70.55606	1.4
71.01382	0.9
80.02695	1.8
81.03498	0.7
95.01380	3.6
96.96049	0.7
97.02952	0.7
97.06627	0.7
107.01412	1.6
108.02188	39.6
109.02520	0.8
119.06198	0.6
123.00900	72.0
123.04537	88.1
124.01241	2.6
124.04838	3.2
125.02382	0.7
135.00935	1.5
135.04651	0.8
137.02457	0.8
137.09808	1.5
138.03246	100.0
139.00418	0.8
139.03595	4.5
149.99725	0.8
151.00385	9.7
151.04124	1.0
151.07664	10.2
152.00822	0.6
153.05589	59.9
154.05942	2.3
155.18626	0.7
163.00374	2.0
165.01964	1.7
166.02734	1.8
177.99080	1.1
184.07420	2.7
193.01454	1.2
193.08563	1.0
201.05620	0.7
205.08728	2.9
207.10104	1.2
207.13853	0.9
209.15466	1.1
214.02634	1.6
223.13420	1.0
229.05081	1.1
233.11559	0.8
240.13715	2.7
241.12601	0.6
242.02277	2.3
245.04817	0.9
245.11641	2.3
248.15807	0.7
249.10757	0.6
257.04501	1.4
261.14850	0.7
263.16489	5.0
271.06537	0.7
273.04028	1.6
285.14719	3.7
287.16348	6.1
288.06555	0.7
289.14740	1.0
301.03482	1.9
303.08759	2.6
313.14307	9.7
313.17944	3.8
316.05914	4.9
331.08395	9.7
331.12079	1.1
331.15326	20.2
331.18964	7.0
331.24753	1.0
332.08691	1.1
332.15729	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	331.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
58.40792	0.6
59.01384	1.4
63.02409	3.1
65.00345	1.7
65.03978	0.9
70.06896	2.9
81.03494	0.7
83.01397	3.7
93.03457	9.2
95.01418	1.8
98.27139	0.6
107.01410	7.1
107.05045	11.4
108.02201	4.8
109.02979	2.9
115.55846	0.6
121.02962	3.4
123.00900	1.6
124.01669	1.0
125.02455	7.9
126.41190	0.6
135.00990	0.6
135.04541	35.0
136.01637	1.4
136.04857	1.5
137.02458	7.0
137.44786	0.6
145.02943	1.0
149.02444	2.8
149.06136	0.6
151.00389	14.0
151.04030	2.3
152.01134	0.9
153.01894	0.6
163.00403	4.0
164.01155	1.4
164.06514	0.6
165.01942	67.7
166.02220	3.3
167.03563	0.7
169.01425	1.1
177.01921	2.5
181.01508	0.8
191.03578	1.0
196.00090	1.1
205.01436	0.7
211.07692	3.8
212.08435	20.5
213.08833	1.7
215.03529	1.3
225.09215	7.1
226.10002	40.5
227.03371	0.8
227.10770	37.0
228.11119	2.7
229.05089	0.8
230.02257	0.7
231.03021	1.8
241.12347	26.5
242.12669	2.7
245.04549	0.8
253.08777	0.8
254.09497	1.8
257.04620	1.1
258.01746	0.7
259.02438	1.2
269.11826	6.8
273.04028	1.2
283.02582	1.0
285.07761	1.1
285.11383	1.6
287.05609	1.1
287.12924	6.2
288.13422	1.0
301.03564	21.0
302.03995	1.3
303.05115	0.8
316.05899	4.3
330.23672	0.9
331.08179	53.0
331.11893	100.0
332.08545	5.1
332.12247	10.1
342.18478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0675
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.57504	0.6
56.62584	0.7
57.03450	1.1
59.01381	3.6
69.03452	2.4
70.87628	1.2
70.87959	0.9
71.01384	4.8
72.04540	2.0
72.60897	0.7
79.01884	1.2
81.03456	1.4
83.01403	1.6
83.05039	0.9
84.04549	1.3
85.02968	0.7
87.00873	1.0
95.01373	1.1
97.02973	2.5
98.02525	1.6
100.07648	1.3
107.01387	2.9
111.06933	0.9
111.08131	0.6
112.04040	2.9
123.00845	4.2
123.04502	0.7
124.01677	17.0
124.04049	1.7
125.02462	68.0
126.02759	2.3
126.05638	6.4
126.09265	7.2
137.02449	0.7
138.05586	1.2
139.07668	0.7
149.99594	28.1
150.09483	0.6
151.00404	4.8
167.03548	1.5
168.00655	62.7
169.01425	14.1
184.06174	5.1
186.11467	0.9
193.01353	0.8
203.13962	1.3
204.12376	1.5
211.02441	0.7
227.14064	1.0
259.16660	6.4
273.48041	0.6
287.19870	1.5
313.05640	7.8
313.17755	0.9
331.06732	100.0
331.18689	20.8
332.07025	7.9
332.19275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0825
Annotation	Drimiopsin B
Peak:m/z	Relative Intensity
55.52092	2.0
56.32143	1.7
59.01378	2.9
67.01888	3.8
68.99827	3.1
69.03462	4.9
69.66604	6.3
69.67004	4.4
71.01390	6.9
81.03469	14.5
84.02184	17.0
87.04519	2.6
95.01403	5.9
97.02954	15.0
99.04524	10.3
101.02453	2.7
103.05505	2.0
107.05026	3.0
108.02180	16.9
109.02962	13.1
111.00924	1.7
111.04509	8.0
112.01684	7.6
113.02470	5.1
119.05007	2.0
121.02967	11.1
122.03758	6.2
123.00919	9.2
123.04569	10.3
124.01688	33.8
125.02457	33.3
132.02141	2.3
133.02904	3.1
134.03763	5.2
135.04523	6.4
136.01660	11.5
137.02460	11.9
138.03255	18.2
139.04033	12.8
140.01172	100.0
141.01962	51.5
141.05618	7.4
142.02307	2.1
145.02963	4.5
147.04536	3.5
148.01665	6.3
149.02493	11.7
150.03175	5.0
151.00327	2.9
151.03992	10.9
152.01152	11.3
153.01958	77.7
153.05556	4.6
154.02626	7.7
155.03517	66.8
156.03815	2.0
157.06599	2.5
159.04494	2.9
161.02458	11.3
162.03186	4.7
163.03983	6.2
167.03505	22.4
168.04308	29.1
169.04935	2.1
169.06639	2.7
170.03558	1.8
171.04480	2.4
173.02415	3.3
173.06023	3.2
174.03297	3.2
175.04042	2.5
179.03523	17.9
180.05693	1.8
181.06668	2.1
183.04529	2.4
183.08133	2.0
184.05145	2.1
185.06065	6.9
187.03978	5.8
191.03542	13.6
197.06059	6.3
198.07048	2.2
199.03989	3.8
199.07637	4.9
199.13347	2.1
200.04788	3.5
201.05582	4.6
203.03546	3.8
209.06166	2.9
211.04068	2.9
213.05600	14.8
213.11501	1.9
214.06300	3.1
215.03429	1.8
215.07133	3.2
224.04720	2.4
225.05598	8.6
226.06427	8.8
227.03505	3.7
227.07045	11.6
228.04286	4.1
229.05199	8.7
241.04999	7.6
242.05811	6.7
243.06645	10.8
244.07260	5.7
252.04234	3.1
253.05003	9.2
254.05695	2.7
255.02957	3.1
255.06705	6.3
257.04504	4.1
269.04495	11.3
270.05356	14.4
271.03247	2.9
271.06137	19.0
272.06949	19.2
273.07471	3.6
281.04620	10.3
284.06778	2.4
285.03967	2.3
287.09286	4.7
288.06357	2.7
297.04019	3.6
298.04852	99.2
299.05588	73.0
300.05859	7.4
301.07156	3.4
303.08759	4.5
313.07227	23.4
314.07346	3.3
316.05978	8.7
331.08295	35.9
331.12039	4.3
332.08578	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	330.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34296	0.9
57.03447	3.2
58.00587	1.1
59.01385	36.6
60.01711	1.4
62.31706	0.7
68.99809	0.8
69.03460	2.4
71.01389	40.6
71.05024	1.1
71.55035	1.1
72.99308	1.3
73.02949	2.8
79.05539	1.5
81.03481	1.1
82.03005	1.6
83.01394	1.6
83.05006	1.7
83.30689	0.8
85.02950	4.7
87.00890	1.9
88.04049	100.0
89.02451	14.9
89.04384	2.2
95.01385	1.8
95.05042	1.1
96.04574	1.2
96.99336	0.7
97.06615	2.2
98.06133	2.3
99.00890	0.8
99.04519	3.4
101.02451	9.6
101.06075	0.9
105.93306	0.8
109.02921	1.2
109.06549	0.9
111.08162	1.6
112.04050	0.9
112.07687	1.0
113.02458	6.0
114.01973	2.2
115.00385	24.6
115.07683	2.0
119.03518	5.9
119.08690	1.2
121.06615	0.8
122.03758	1.2
122.06140	1.2
123.04602	0.9
125.02446	1.6
125.03551	0.9
128.03615	0.9
128.10783	0.8
129.05582	1.5
129.49214	0.9
130.08734	3.5
131.03584	1.0
131.57317	0.7
132.03044	41.8
132.04605	3.0
137.09706	4.0
138.01959	1.4
138.05663	1.2
138.09265	8.0
139.07707	4.2
143.03471	1.5
145.05150	1.0
148.04037	1.4
149.02455	1.4
149.04526	1.8
152.03545	4.4
153.06683	2.3
161.04559	2.7
162.05650	0.8
164.03593	2.1
166.01442	1.2
166.05092	1.9
167.03502	2.9
168.02873	11.0
171.13943	1.0
175.12862	0.7
179.05730	1.5
181.08664	1.5
182.08212	0.9
183.06694	2.0
183.10295	2.6
192.03015	0.8
196.13361	2.1
197.05768	2.8
199.09764	12.6
200.05005	0.7
207.08124	0.9
210.04097	3.3
213.09225	1.1
214.14534	7.0
215.12898	11.3
222.04109	1.2
225.09315	4.5
242.12068	1.0
259.07175	1.2
268.15585	1.0
286.10934	4.1
286.16599	10.1
287.10468	3.8
312.14578	5.1
316.09436	1.0
330.08347	12.6
330.15601	92.5
331.08734	2.7
331.15958	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	330.1196
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.24982	0.9
57.04568	3.1
59.01382	9.2
61.98842	1.1
68.72330	0.9
71.01390	11.2
71.53218	1.3
77.54675	1.0
77.83924	1.1
83.01402	1.2
83.47512	0.9
85.02962	2.9
86.00098	2.7
87.00883	20.8
89.02452	3.7
94.06631	1.2
95.06137	4.7
98.02488	3.2
99.00889	14.9
101.02435	3.8
107.03786	2.0
108.04590	2.1
113.02442	2.4
114.02760	1.0
120.04493	1.7
121.05334	3.2
122.06137	44.4
123.04488	2.0
123.06462	1.6
124.04072	1.2
126.05622	2.4
134.06139	4.0
135.03271	2.0
136.04036	2.8
136.07692	13.5
138.05656	1.9
138.06758	1.3
139.05151	16.6
140.07140	1.2
142.57603	1.0
146.06046	1.2
146.08229	1.4
148.07677	2.0
150.05620	100.0
151.04033	5.9
151.05963	4.2
152.07164	7.4
162.05617	2.8
164.07138	3.5
166.05116	1.0
167.42055	1.1
168.06642	4.2
169.05092	1.7
172.09772	2.1
174.05579	3.2
175.06367	3.9
176.07182	9.1
192.06654	2.0
194.08234	4.5
204.06665	3.6
214.11914	1.5
222.07774	4.3
228.08817	13.5
250.11938	1.5
252.08691	1.6
268.13080	12.8
286.14124	6.6
312.10901	48.1
312.15579	9.1
313.11243	2.7
313.16068	1.2
330.05270	1.3
330.08743	2.1
330.12030	25.0
330.16263	1.8
331.12421	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	330.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.3
57.03442	0.4
57.97581	0.6
59.01383	5.8
59.29845	0.4
69.03429	0.4
70.76873	1.0
71.01393	3.4
71.05020	0.9
71.31987	0.4
72.99319	0.9
73.02947	0.8
74.02484	1.1
75.00876	6.5
83.01392	0.8
83.05013	0.5
85.02962	1.5
87.00881	0.5
88.04069	0.6
89.02451	2.5
95.01389	0.5
95.05010	1.0
97.02956	1.5
99.04575	0.5
101.02474	1.9
109.06615	0.4
111.04507	0.5
111.08206	0.6
113.02476	1.1
115.04008	2.4
119.03520	0.9
120.04635	0.4
122.06120	0.5
123.03286	20.2
123.04591	0.8
123.08177	0.5
125.02458	0.9
127.03976	1.0
127.07658	1.1
129.01930	2.1
130.05090	0.7
130.08717	0.5
132.03036	0.5
133.06607	0.4
136.07704	1.3
137.06125	0.9
138.05626	100.0
139.00398	3.5
139.05992	3.9
139.07664	2.8
143.11958	0.6
143.60272	0.4
147.03032	3.3
149.02408	0.5
149.06044	0.9
150.05634	1.1
151.00392	1.1
151.05899	0.4
153.01563	0.6
154.02750	2.1
154.08771	0.9
155.07140	0.9
155.11855	0.5
160.01422	0.4
165.04060	17.0
165.05479	0.9
166.02898	0.5
167.03532	2.0
167.07172	2.2
168.03889	1.8
169.01476	0.5
169.05099	3.2
169.08702	0.6
182.04573	0.6
182.08243	0.8
183.06638	1.5
185.08237	1.0
187.09740	0.4
191.07204	0.5
193.01381	0.6
198.07764	1.3
199.06091	1.2
211.02483	1.3
215.09262	3.3
225.16177	0.5
251.12738	0.4
269.13748	0.5
287.14990	1.1
293.12451	0.7
295.12488	0.4
300.19284	0.7
330.08582	4.2
330.12256	0.4
330.15753	0.4
330.20343	0.9
331.06546	0.9
331.10175	0.7
331.14050	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	329.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.7
58.00596	1.1
58.65158	0.8
59.01386	9.7
65.00331	24.3
66.01115	3.0
68.99800	1.4
73.34805	1.0
79.11870	0.8
82.19525	0.8
87.00893	1.5
95.01398	1.5
99.08164	5.4
105.19193	0.9
106.00642	1.3
107.01421	1.1
108.02195	0.9
109.02991	1.0
109.43690	0.9
110.00132	0.9
119.04964	0.9
121.02946	2.7
123.00896	6.5
123.04597	1.2
124.01654	3.0
125.02354	0.9
127.07660	1.8
129.09218	5.7
134.03781	1.3
135.00888	2.0
149.06094	3.9
149.99597	87.5
151.00034	2.6
152.01221	0.9
161.02429	2.8
162.03230	2.5
163.00406	5.6
165.01956	4.2
169.12318	3.5
175.07646	1.6
177.02017	1.2
181.12346	3.8
183.13879	1.7
187.04164	1.0
193.12323	1.1
197.11792	1.8
199.13422	16.0
203.03523	1.0
211.13416	11.0
223.07666	1.5
227.03461	1.3
229.14452	1.7
240.04289	1.1
241.05031	2.4
242.05907	2.1
250.06316	1.6
251.07120	2.2
253.08684	5.0
255.03134	1.0
255.06570	1.4
256.03833	2.8
268.03699	1.3
270.05203	2.0
271.02475	5.1
271.05652	1.8
279.06485	1.7
284.03278	3.2
285.07770	1.3
286.05103	1.1
286.08328	1.6
293.21207	2.2
297.00378	2.0
297.07724	5.5
298.04877	1.1
299.01965	3.0
299.05505	6.8
311.09372	2.7
311.22409	2.2
313.07104	2.3
314.04584	5.0
314.07956	89.9
315.05020	2.1
315.08304	10.7
329.06741	7.8
329.10303	100.0
329.23331	78.6
330.07028	1.6
330.10596	12.1
330.23657	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	329.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03314	9.6
57.05316	9.7
59.01379	86.7
63.22050	9.6
69.20214	20.7
69.20614	100.0
78.95909	33.2
88.46232	13.0
88.51350	11.4
96.96035	20.6
152.99599	66.8
162.83943	11.5
201.09293	27.0
215.03340	13.0
277.21866	25.3
299.01978	15.1
314.04190	26.9
322.56311	14.4
329.06488	16.0
329.13818	56.8
329.17667	26.6
329.21219	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	329.2335
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03449	1.4
58.00586	0.8
59.01385	41.6
59.80996	0.6
63.27069	0.6
69.56070	4.6
70.67627	0.7
71.01405	0.7
73.02948	2.5
91.28126	0.7
93.03463	1.6
96.96062	0.7
97.06578	1.4
98.19813	1.2
99.08170	11.1
109.06599	1.8
111.08152	2.2
113.09753	1.0
119.05052	7.5
123.04502	1.0
125.06094	1.0
127.07627	1.1
127.11269	1.1
129.09235	11.5
135.04549	1.1
138.57478	0.8
139.07646	6.3
139.11299	1.5
148.01662	4.7
153.12869	8.2
155.10799	2.4
161.02417	0.8
163.00337	1.7
163.04019	3.5
167.14545	0.8
169.67606	0.8
171.10283	2.3
181.12453	0.8
190.99867	1.6
199.13361	3.4
201.11320	0.9
211.13434	2.3
220.26668	0.7
220.98642	0.6
226.06355	1.7
226.09969	1.3
229.14485	1.4
239.03578	1.0
241.08702	2.3
241.12398	1.4
251.20146	0.9
254.05798	3.9
269.08197	5.5
282.01871	0.9
297.07733	1.7
299.02148	1.5
303.77209	0.7
311.22372	4.2
312.31113	0.8
314.04239	2.6
314.07587	0.8
329.06769	3.8
329.10275	2.5
329.14639	3.3
329.23355	100.0
330.23694	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	329.2337
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03449	0.8
66.52505	0.5
69.03480	0.4
69.72879	0.4
71.00471	1.0
83.05027	0.7
85.02994	0.6
97.06602	0.3
99.08176	5.6
101.96352	0.4
114.83641	0.3
125.09723	1.5
127.11292	3.4
139.11287	2.7
145.03348	0.3
155.10828	0.5
155.14375	0.7
165.12877	0.5
167.10780	0.8
167.14438	1.5
171.10280	7.5
181.12338	0.4
183.13911	5.8
185.11765	0.4
193.12358	2.1
201.15123	0.5
209.11833	1.2
211.13406	32.5
212.13805	2.8
229.14456	17.6
230.14789	1.5
253.08656	0.8
256.03247	0.4
293.21307	1.0
311.22314	0.8
329.10300	1.3
329.23343	100.0
330.23694	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	329.1397
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
51.22560	0.7
57.82230	0.6
75.06501	0.7
85.81458	0.7
86.98757	0.8
93.03487	1.1
105.03479	0.9
113.02462	0.8
115.05533	0.9
119.05088	1.0
121.02960	13.8
122.03747	4.8
123.00904	3.1
123.04491	1.6
124.01661	3.0
124.92239	0.7
131.03436	0.8
131.05016	2.2
134.67836	0.6
136.01651	0.8
136.05324	2.1
137.02457	1.8
137.06088	1.5
143.05035	2.5
145.02969	1.3
145.06586	1.3
147.04527	10.7
148.01677	0.9
149.02452	4.4
149.06105	0.8
150.03233	13.1
151.04004	1.3
152.29518	0.7
153.05583	0.9
158.03748	13.7
159.04524	38.2
160.05307	98.5
161.06096	34.6
162.06447	3.3
163.04012	14.3
164.04791	12.3
168.04282	1.0
171.04495	0.8
173.06067	12.1
174.06770	2.0
175.07649	70.6
176.04797	2.0
176.08003	3.5
177.05573	16.3
178.06367	18.8
191.07230	1.0
192.08032	3.8
192.55431	0.9
193.08687	7.9
195.73714	0.7
199.03922	1.4
215.03484	0.8
226.15350	0.8
227.03580	0.9
229.01234	1.2
243.03065	1.5
255.02797	1.0
271.02515	1.1
299.01996	9.2
299.09406	0.9
299.12857	1.1
300.02289	0.8
314.04318	11.2
314.11624	1.9
329.06644	6.8
329.13943	100.0
330.06891	0.7
330.14264	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	329.1034
Annotation	Confusaridin
Peak:m/z	Relative Intensity
53.00307	1.1
56.82596	0.8
59.01372	3.5
65.00333	20.1
66.00627	0.9
66.01105	2.8
68.03848	0.7
68.99806	1.9
71.54533	1.4
79.99018	0.9
80.02651	0.9
82.00630	1.1
83.01415	0.7
91.01883	2.0
94.00629	1.5
95.01389	1.7
106.00614	1.5
109.02977	0.9
118.54899	0.9
121.03008	1.1
121.28197	0.7
123.00905	7.7
124.01672	2.3
125.02402	0.9
135.00906	4.1
137.02428	1.4
149.06090	4.8
149.99596	82.6
151.00029	2.7
152.01128	1.3
163.00391	5.5
165.01874	1.8
168.00636	2.2
177.01901	2.6
201.77112	0.9
227.03424	0.9
240.04314	1.2
254.02176	1.5
255.02983	1.2
255.06740	1.1
256.03763	3.3
263.19098	0.8
266.85513	0.9
269.04501	1.2
271.06058	1.8
284.03220	1.6
285.07791	1.8
298.04941	1.1
299.02277	1.6
299.05582	6.2
299.08713	1.1
313.07083	3.1
314.04742	2.7
314.07962	93.9
315.08276	8.9
329.06689	8.2
329.10294	100.0
329.23138	4.4
330.10635	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01697	1.3
65.30270	1.0
71.01405	7.4
71.95760	1.1
73.02962	2.4
79.01981	1.0
85.02950	3.1
87.00890	1.7
89.02438	2.4
93.03487	1.1
99.00865	1.3
101.02470	5.2
113.02459	3.3
125.02423	1.3
133.02966	4.1
134.03246	1.9
135.03542	1.8
135.04539	1.8
148.01694	1.4
151.24385	1.2
161.04529	4.4
163.04054	1.2
164.04460	1.0
167.03531	2.1
168.03076	1.1
181.08704	1.2
210.05569	1.3
225.10222	1.2
226.05064	3.9
227.05876	2.0
228.05266	3.2
228.06975	2.1
240.05342	2.0
243.07703	3.4
256.06119	4.6
256.09821	1.7
257.06961	2.2
258.06577	5.2
267.07803	2.6
269.10306	2.4
273.08875	10.8
274.09253	1.4
283.10962	3.0
285.03564	1.1
285.09363	1.7
285.12457	1.8
286.03897	3.0
286.10818	3.9
295.07068	1.4
296.07947	1.5
299.10260	4.0
300.05508	2.8
301.06174	7.6
301.11948	3.4
311.10294	4.4
329.01999	2.3
329.05701	40.5
329.11417	33.5
329.15213	0.8
330.05960	1.9
330.11765	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	329.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.5
58.00630	0.7
58.01737	0.6
59.01381	7.1
65.00327	20.6
66.01099	2.8
68.99816	2.0
69.49104	3.8
70.35242	0.6
72.99334	1.1
76.97950	0.6
81.02771	0.6
82.00604	1.0
82.80869	0.6
93.03475	0.8
94.00642	1.1
95.01375	2.0
97.02950	1.0
99.08143	5.0
106.66908	0.7
109.02956	1.4
110.00081	1.4
114.85420	0.6
121.02970	1.1
123.00896	7.9
124.01696	1.7
129.09245	4.5
134.03745	1.4
135.00880	2.3
136.01680	1.3
137.02480	0.7
137.99542	1.0
149.06081	3.4
149.99597	78.1
151.00024	3.3
152.01190	0.8
159.04584	0.8
161.02454	3.1
162.03227	2.3
163.00340	5.7
165.01889	3.3
168.00612	1.5
169.12344	2.9
177.01866	1.7
181.12314	2.5
183.13829	0.8
188.01024	0.9
197.11783	2.0
199.13440	9.6
211.13406	7.9
213.01913	1.0
223.07634	1.2
225.09341	1.4
227.03526	1.5
232.38631	0.7
240.04362	0.9
241.05075	2.1
242.05859	1.2
250.06354	1.4
251.07079	2.6
253.08774	5.3
255.02977	1.0
255.06766	1.1
256.03781	3.3
257.08270	0.8
268.03717	0.9
269.01025	1.6
270.05164	1.6
271.02466	3.6
271.05981	2.2
279.06696	1.9
283.02701	0.8
283.06036	1.2
284.03268	1.7
285.07605	1.8
286.04907	0.9
293.21188	2.4
297.00650	1.2
297.07639	3.1
298.04660	1.1
299.01965	2.4
299.05539	6.1
299.08765	1.2
301.07175	1.6
311.09302	2.0
311.22150	0.9
313.07181	2.7
314.04504	4.1
314.07938	89.8
315.04971	2.4
315.08319	7.8
329.06769	7.7
329.10297	100.0
329.23325	62.7
330.07059	1.4
330.10648	11.3
330.23734	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	329.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38108	0.7
52.04825	0.8
53.00312	0.9
57.03440	1.0
59.01372	3.5
65.00331	24.9
66.01108	2.9
66.36586	0.8
68.99820	1.8
69.26180	0.8
70.91537	1.1
70.91846	1.0
75.17392	0.8
82.00612	0.8
83.69241	0.6
92.99802	1.1
94.00644	1.4
95.01380	2.2
106.00626	1.7
107.01404	1.0
108.02216	1.0
111.08240	1.0
115.93771	0.8
121.02935	0.9
123.00881	6.8
124.01640	2.3
132.54892	0.8
135.00887	2.6
136.01758	0.8
147.04549	0.8
149.06068	3.9
149.99599	87.6
150.99937	3.1
152.01085	1.1
161.02419	0.9
162.03203	1.0
163.00359	5.5
165.01892	1.5
168.00664	1.2
171.10237	1.0
173.06055	3.0
181.12378	1.0
183.13849	1.1
197.11765	0.8
199.13388	4.2
211.13416	2.6
213.02014	1.2
213.05479	1.3
222.31502	0.9
225.20148	0.9
225.22377	1.2
226.02657	0.8
227.03299	1.2
229.14207	0.8
240.04259	1.8
241.05115	12.6
242.05759	5.1
256.03790	3.5
256.07227	2.2
267.13962	1.5
268.03885	1.0
269.00870	2.8
269.04514	3.4
270.05386	7.9
271.05975	3.0
282.05148	0.9
283.02756	1.0
283.06137	1.0
284.03067	1.9
285.04343	1.5
285.07669	5.1
286.08435	1.0
293.21161	1.2
297.00403	3.2
298.04562	1.2
299.05655	6.3
300.05676	1.0
311.01907	0.8
311.05554	2.2
311.09250	1.3
313.07187	2.0
314.04913	3.6
314.07956	98.7
315.04962	2.0
315.08319	8.4
328.22015	1.0
329.06665	16.2
329.10272	100.0
329.23288	20.4
330.06985	2.5
330.10629	11.4
330.23517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71511	0.9
54.85903	0.9
59.01388	37.7
61.24158	0.9
63.02388	2.2
65.00327	2.0
70.02324	3.6
72.15059	1.0
83.01402	2.4
87.88947	0.9
91.01906	27.9
93.03438	1.7
95.01368	2.9
98.20567	1.1
107.01400	4.3
108.02174	3.3
109.02976	1.4
121.02970	33.2
122.03271	1.3
123.00878	1.2
124.01695	11.9
125.02528	4.4
132.02185	15.4
135.00900	26.2
136.01651	2.7
137.02443	1.9
147.04495	2.4
150.03268	1.7
151.00366	4.0
152.01149	6.5
153.01924	3.2
161.02422	1.8
164.01154	6.1
165.01929	6.0
176.01317	1.1
177.01955	28.1
178.02524	1.9
184.05275	1.0
189.01945	1.5
196.00130	2.0
211.03899	1.2
217.04886	1.2
224.04758	2.5
225.05408	1.0
227.03545	1.2
239.03508	15.0
239.07124	1.6
240.03874	2.1
241.05019	1.5
243.03212	1.0
244.03682	1.6
245.04559	2.2
253.05040	6.0
254.05832	5.0
269.08209	78.1
270.08655	7.8
271.02481	1.5
273.73410	1.1
280.50812	0.9
285.04004	3.3
286.04736	1.0
295.02484	1.0
296.03180	2.2
313.03586	5.4
314.04297	5.6
329.06595	100.0
329.10315	48.7
329.22916	1.4
330.06952	10.0
330.10638	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	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01035	0.4
52.29444	0.5
57.04572	0.8
59.01383	4.4
70.12115	1.5
70.86908	0.4
71.01388	9.3
73.02946	2.5
76.71877	0.4
78.83655	0.5
79.13731	0.4
83.01392	0.5
85.02956	4.1
87.00887	4.0
89.02457	1.6
90.94331	0.5
93.03459	0.5
95.01395	0.6
97.02960	0.6
98.29530	0.5
99.00901	1.5
99.04525	0.8
100.04048	0.8
101.02457	5.3
108.02182	5.2
109.02975	1.4
113.02474	4.4
121.02991	2.4
121.05437	0.5
121.06646	0.5
121.20594	0.5
122.03754	100.0
122.06108	8.1
123.04607	15.6
124.04855	0.8
125.02510	0.6
126.05642	1.3
134.06084	0.8
135.04552	1.1
136.04109	0.6
136.07693	2.8
137.02457	1.5
137.06128	1.3
138.05580	0.5
143.03513	1.2
147.04552	1.4
150.05626	15.4
152.01149	2.8
152.07202	1.2
159.03047	1.8
161.04567	10.0
164.07202	0.8
165.05586	5.5
167.03513	9.0
175.06343	0.5
176.07172	1.1
177.05595	2.4
187.33536	0.5
194.08279	0.5
204.06683	0.9
214.12065	0.7
222.49115	0.5
268.12827	0.7
285.09821	1.7
286.14108	3.8
312.10922	10.3
329.08862	4.2
330.12054	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03453	0.7
59.01385	1.5
65.00307	0.7
71.01385	0.6
71.21458	0.7
72.21806	0.2
81.03458	5.0
82.02985	0.3
83.01391	3.0
88.04050	2.0
95.05035	1.2
101.02440	0.4
107.01416	0.6
109.04073	0.5
115.00375	0.6
121.02965	0.5
123.04539	31.1
124.04861	1.2
125.02454	6.4
127.05124	1.4
131.03758	0.6
132.03036	0.9
132.04547	0.7
149.02489	0.7
151.00388	2.1
153.06723	0.9
158.06227	0.4
163.03970	0.8
167.03508	100.0
168.03841	4.5
191.03535	0.8
197.05714	0.9
203.57326	0.3
205.70328	0.3
209.04539	1.0
286.11975	0.3
329.08694	0.9
329.12424	0.4
330.11575	1.9
330.15594	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	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.28539	0.5
59.01372	0.9
61.80333	0.4
71.01395	1.2
71.30392	0.6
85.02979	0.7
86.27673	0.5
87.00889	0.6
108.02184	59.1
109.02517	1.6
123.00837	0.7
123.04536	26.7
136.07834	0.5
152.01166	39.6
153.01495	2.0
167.03506	100.0
168.03860	4.6
202.33070	0.5
204.14194	0.5
205.05113	0.9
283.06281	0.6
301.32971	0.5
329.06747	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	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.21769	1.0
56.45436	1.0
59.01392	6.4
71.01390	9.5
71.53302	2.2
73.02960	2.5
79.05569	1.4
81.03474	1.3
83.01398	1.4
85.02948	3.2
85.34668	1.1
87.00890	2.2
87.42091	1.1
87.98048	1.1
89.02457	7.5
97.02961	1.1
99.00874	2.8
100.04146	1.5
101.02448	3.7
103.64785	1.3
107.44790	1.4
108.02185	49.8
113.02408	1.9
116.57394	1.1
120.89494	1.1
121.02976	1.8
122.03754	40.9
122.04628	3.0
122.06135	1.5
123.03239	2.3
123.04550	54.0
124.04922	1.6
125.02481	3.1
131.03474	2.1
136.51236	1.3
137.06123	1.5
138.05655	7.8
140.19566	1.2
149.02449	3.2
149.04568	29.1
150.05643	2.9
152.01166	35.3
161.04585	2.7
165.04095	1.3
165.05569	3.3
166.91254	1.4
167.03510	100.0
168.03873	3.6
268.13031	1.5
286.14114	1.9
312.10880	1.5
329.08820	14.4
330.08917	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	329.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	12.0
65.12054	2.4
71.01389	17.1
71.53327	3.8
73.02949	3.8
75.27143	2.4
85.02959	4.4
87.00861	4.0
89.02455	29.2
89.45379	2.4
89.69994	2.3
99.00897	2.5
101.02435	5.3
103.03993	3.0
108.01477	3.6
108.02193	49.1
113.02480	4.7
119.03555	3.2
122.03763	57.5
122.06149	3.4
123.04562	58.0
131.03513	4.8
138.05649	5.3
139.05141	5.6
149.02588	5.2
149.04576	75.3
150.05646	3.6
152.01158	28.5
161.04581	6.9
165.05592	2.8
167.03514	100.0
168.03809	3.1
186.66119	2.6
268.12949	3.3
286.14035	5.3
294.10477	2.5
329.08926	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	329.067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91440	0.6
59.01453	5.3
65.00397	1.0
66.89120	0.7
69.29350	5.7
109.02992	1.4
122.00215	1.0
124.01745	1.6
133.03094	0.7
137.02538	0.8
139.04085	1.0
143.05142	1.6
147.00987	1.0
148.01651	5.1
149.02502	1.7
149.99710	0.7
151.00504	1.2
153.09285	1.0
155.05072	0.9
157.03065	0.9
159.04610	2.1
161.99620	4.9
163.00494	2.7
163.04044	1.4
167.03603	0.9
171.04507	8.1
172.04910	0.7
175.07651	0.9
183.04584	2.0
187.04019	4.8
189.99168	0.7
197.11879	3.2
198.03352	1.8
199.04015	10.6
211.04044	1.2
215.03551	7.1
225.01962	0.8
226.02783	0.8
227.03513	16.2
228.03865	0.8
235.06245	0.9
243.02988	15.2
244.03528	0.9
253.01569	2.1
255.03003	14.4
256.03445	0.9
270.01831	1.9
271.02496	29.3
271.05481	1.5
272.02899	3.0
281.01022	0.9
282.01782	2.5
285.04138	1.6
296.03305	2.1
298.01337	1.7
299.01984	51.9
300.02258	4.1
313.03500	0.9
314.04352	100.0
315.04733	8.5
329.06677	86.0
330.07013	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	329.067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75609	0.6
59.01375	2.5
63.02405	0.6
65.00330	2.5
71.31834	0.7
77.28716	0.4
78.25276	0.5
83.01384	1.5
84.39597	0.5
93.03458	0.6
95.01394	0.9
107.01398	1.3
107.24593	0.5
108.02161	1.0
109.02963	0.8
121.02966	0.7
124.01679	2.5
125.02464	1.3
133.02913	0.7
135.00902	0.8
136.01683	0.6
149.99629	3.8
151.00369	1.7
152.01151	1.7
152.47195	0.5
157.81940	0.5
161.02493	2.8
162.03181	0.7
164.01117	1.6
165.01881	1.0
171.10298	0.7
175.04031	2.1
177.01923	4.7
183.04601	1.1
187.04031	0.7
189.01932	2.1
199.04016	3.2
201.01941	0.8
201.11345	1.4
203.03537	3.0
211.03896	0.7
211.13448	1.0
213.01956	2.6
214.02307	0.6
215.03563	1.2
216.04135	0.6
217.05058	1.7
227.03493	5.5
228.03983	0.9
229.01413	1.2
229.14381	0.6
231.02994	10.3
232.03362	1.0
243.02982	19.7
244.03456	2.0
245.04407	3.0
246.05310	2.6
247.05515	0.5
255.02968	2.5
261.07782	1.3
271.02505	36.5
272.02802	2.4
285.04083	5.0
286.04654	0.7
297.04037	0.6
299.02005	56.4
300.02307	4.9
313.03568	9.5
314.04391	28.3
314.07932	2.7
315.04724	3.9
329.06686	100.0
329.09894	4.5
329.23270	8.1
330.07043	9.6
330.10663	0.6
330.23740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52627	0.5
58.46683	0.5
59.01373	0.8
70.92288	1.3
85.08255	0.5
91.01888	0.7
94.00641	0.5
109.02959	1.1
114.50113	0.7
123.00928	0.7
134.00128	0.7
135.00862	1.1
143.05038	1.4
147.00922	0.9
148.01691	1.3
149.02440	1.2
155.05072	1.1
157.02928	1.9
159.04524	1.6
160.98842	0.6
161.99590	4.2
163.00369	2.4
166.08177	0.6
171.04512	6.6
172.04837	0.6
182.03693	0.8
183.04530	2.0
187.03992	5.8
189.99191	1.4
197.02332	0.6
198.03073	0.8
199.04034	10.4
200.04355	1.1
201.11310	1.0
211.03938	0.7
215.03571	6.3
216.03839	0.8
225.01935	0.8
226.02661	0.8
227.03519	14.6
228.03870	1.3
243.03012	12.5
244.03291	0.8
253.01573	1.9
254.02278	0.6
255.02997	15.1
256.03375	1.0
270.01706	1.0
271.02499	26.0
272.02783	2.3
282.01694	2.1
296.03198	2.0
298.01208	1.5
299.01990	52.7
300.02292	4.1
313.03525	1.1
314.04340	100.0
315.04657	8.8
329.06677	76.7
329.23303	4.3
330.07016	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78692	0.4
58.24580	0.4
59.01361	1.2
65.00308	0.4
74.01120	0.4
78.33306	0.4
78.77724	0.4
87.34061	0.4
91.01903	0.8
94.00603	0.5
109.02939	1.3
111.44874	0.4
119.01375	0.5
120.21698	0.4
121.02932	0.8
123.00863	0.6
133.03029	0.5
134.00056	1.0
135.00891	1.0
135.01871	0.4
136.98756	0.5
143.05006	1.9
147.00893	1.0
148.01651	1.1
149.02435	1.3
149.99489	0.4
151.00380	0.9
155.04970	0.8
157.02942	1.4
159.04494	1.6
160.98718	0.7
161.99590	4.2
163.00409	2.9
165.01970	0.5
171.04523	8.0
172.04903	0.6
175.07503	0.6
181.02942	0.5
182.03729	0.6
183.04507	2.9
185.02438	0.8
187.04024	3.8
189.99074	1.2
190.99922	0.5
197.02422	0.7
198.03134	1.0
199.04010	10.7
200.04362	0.8
203.03362	0.6
211.03970	1.6
214.02615	0.8
215.03513	6.9
225.01910	1.1
226.02678	0.5
227.03510	15.4
228.03844	1.5
242.02292	0.6
243.02989	14.3
244.03294	0.9
253.01450	1.7
254.02055	0.9
255.03009	16.4
256.03323	1.6
267.06415	0.4
270.01669	1.5
271.02496	28.5
272.02777	2.5
281.00900	1.0
282.01614	2.5
292.47925	0.4
296.03320	2.2
297.00595	0.6
298.01151	1.8
299.01990	52.6
300.02390	5.5
313.03436	0.7
314.04340	100.0
315.04700	10.1
329.06680	77.1
329.23077	3.2
330.06970	8.8
330.10693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	1.1
59.01384	14.8
65.00320	3.9
68.99788	1.0
69.94344	2.4
75.57659	0.6
88.06240	0.7
88.97162	0.7
94.00636	1.3
94.32545	0.7
95.01389	2.0
96.02232	0.6
107.01421	1.0
108.02211	1.0
109.02972	1.6
110.00108	2.4
111.00886	1.3
113.15627	0.6
121.02940	1.3
122.00074	1.7
123.00902	9.9
124.01677	100.0
125.02025	2.1
130.14502	0.6
135.00888	1.6
136.01662	0.7
137.02423	4.9
139.00433	1.0
139.04022	43.2
140.04370	1.8
148.01666	1.1
149.99603	12.4
151.00348	3.4
161.05951	0.6
162.95029	0.6
163.00417	0.9
165.01929	2.8
173.06213	0.8
183.04477	0.7
199.03995	0.9
211.03963	0.9
211.13242	0.7
215.03520	1.2
227.03529	1.0
227.07158	0.7
239.03535	1.0
240.04269	1.6
243.06615	2.4
255.03297	0.8
256.03619	0.8
268.03784	1.4
269.04340	0.6
271.02606	1.6
271.06232	2.2
272.03333	1.4
284.03445	0.9
285.07788	1.2
286.04865	1.7
296.03305	2.2
297.04041	2.4
299.02209	1.1
299.05609	2.7
314.04401	43.7
314.08023	9.8
315.04617	4.5
315.07895	0.7
329.06738	78.7
329.10422	16.0
329.23157	2.5
330.07080	9.4
330.10684	1.7
330.23621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73970	0.4
59.01390	3.1
63.02430	0.8
65.00339	2.5
71.01665	1.2
78.13049	0.7
83.01375	1.3
107.01402	2.2
108.02203	1.4
109.66753	0.5
122.03741	0.6
123.00883	0.6
124.01652	4.6
125.02473	1.5
133.02966	0.6
135.00873	0.7
136.01709	0.7
137.02461	1.5
149.02423	0.8
149.99593	4.9
151.00435	2.6
152.01184	1.3
153.23473	0.5
159.04527	0.9
161.02443	2.5
164.01152	1.7
165.01973	2.5
171.04393	0.8
175.04019	2.2
177.01945	7.7
182.03853	0.5
183.04482	0.9
189.01939	2.1
199.04002	2.9
200.04582	0.6
201.01956	0.6
201.11360	1.3
203.03500	3.1
203.34286	0.5
211.04034	0.7
211.13377	1.1
213.01985	2.3
215.03537	1.4
217.05083	1.2
219.06636	0.7
227.03484	4.4
227.10834	0.6
229.01483	1.4
231.03008	10.5
232.03342	0.8
241.04913	0.7
243.02995	16.3
244.03571	1.8
245.04587	3.3
246.05276	2.7
255.03053	2.2
256.03751	0.8
261.07681	1.7
269.04721	1.1
271.02493	31.5
272.02881	2.6
285.03995	4.4
285.06992	0.6
286.04623	0.8
296.03259	0.9
299.01999	48.1
300.02377	5.5
313.03592	8.1
314.04364	28.2
314.07944	3.3
315.04834	2.7
329.06693	100.0
329.10172	6.5
329.23300	8.1
330.07022	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	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01383	100.0
60.01731	1.2
60.14348	0.4
63.49308	0.5
63.56946	0.4
64.69056	0.5
66.84415	0.5
68.77678	0.5
69.27160	4.2
80.92075	0.5
85.51506	0.5
97.33500	0.5
185.00740	0.6
283.51227	0.5
312.02545	0.6
318.41531	0.5
327.18576	1.0
327.29050	66.4
328.29358	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0669
Annotation	(+)-Bisdechlorogeodin
Peak:m/z	Relative Intensity
54.07160	0.4
57.03457	0.6
59.01385	9.6
63.02396	2.1
65.00336	2.3
68.91325	0.4
69.53404	3.1
80.89093	0.4
83.01402	1.6
91.01903	5.6
92.78979	0.5
93.03525	0.4
95.01409	2.7
96.02163	0.6
98.20610	1.1
107.01405	3.9
108.02187	3.6
109.02991	1.2
120.11222	0.4
121.02971	8.7
123.00882	0.9
124.01669	14.7
125.02468	4.1
132.02167	4.2
133.02957	1.4
135.00908	7.0
136.01689	2.8
137.02458	2.8
147.04488	0.6
148.01665	0.7
149.99553	0.7
150.03191	1.3
151.00394	5.2
152.01170	6.3
153.01949	1.4
161.02492	1.4
164.01160	5.8
165.01970	6.6
175.03975	0.6
176.01158	0.5
177.01944	24.9
178.02461	2.1
189.02022	1.4
196.00150	3.0
198.03133	0.5
199.03886	0.7
203.03651	0.7
215.32787	0.5
217.05098	1.1
223.04118	0.5
224.04813	1.4
227.03520	0.9
239.03552	4.3
239.07173	0.6
240.04344	0.6
241.05092	0.8
244.03812	1.1
245.04572	1.6
253.04982	1.3
254.05862	1.8
267.03046	0.5
268.03830	1.4
269.08203	16.6
270.08621	1.0
271.02557	1.7
275.45114	0.5
285.04123	3.2
286.04562	0.8
295.02509	1.1
296.03192	2.5
297.04007	0.5
299.02063	0.7
301.07727	0.5
313.03534	7.6
314.04227	6.0
329.06717	100.0
329.10373	13.7
329.23340	1.4
330.07068	10.3
330.10666	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	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.44558	0.3
57.03455	2.2
59.01385	0.6
69.03469	2.2
71.01388	0.9
71.05037	0.3
83.05052	1.1
84.02186	0.6
85.02960	7.8
92.41492	0.3
95.05053	0.9
97.02951	0.8
97.06593	4.7
98.20665	1.0
108.02201	0.4
109.06568	0.4
110.03794	0.5
111.08212	0.4
119.08675	0.6
125.09740	1.4
127.11298	2.3
137.09712	1.9
143.88942	0.3
153.09174	0.4
155.10760	1.0
155.14435	1.0
163.11319	0.5
165.12866	1.5
167.10791	0.4
167.14406	1.3
171.10275	19.9
171.92674	0.3
172.10631	0.8
175.11320	0.5
175.32677	0.4
177.12831	1.3
181.12447	0.4
183.13908	5.2
184.14207	0.4
185.11845	1.3
193.12354	1.4
197.11938	0.4
201.11368	0.8
203.10696	0.5
209.11893	1.7
211.13402	24.7
212.13708	1.9
221.11836	3.0
227.12813	0.6
229.14450	14.9
239.12952	2.3
251.85980	0.3
254.02170	0.5
282.01804	0.8
291.19736	3.8
292.20114	0.5
297.03958	2.7
309.20932	1.7
312.02957	0.4
312.06415	4.3
313.06677	0.5
327.08948	2.2
327.21774	100.0
328.18329	0.7
328.22116	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
50.99651	0.7
59.01369	1.2
65.37268	0.8
69.45837	0.8
71.55115	0.9
71.55499	1.3
75.19222	0.8
80.93923	0.7
83.05035	0.9
101.55129	0.7
114.15817	0.7
123.32244	0.8
125.06928	0.7
132.04694	0.8
166.28304	0.8
185.00778	2.3
189.06651	0.8
251.23875	0.9
281.28592	4.2
297.03854	1.8
309.27896	1.3
312.02591	0.9
312.06155	1.1
327.05109	1.6
327.08911	1.1
327.18713	8.3
327.29059	100.0
328.18137	0.8
328.29459	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	327.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55618	1.8
55.01894	4.0
57.03460	3.5
59.01386	100.0
70.71183	4.8
71.01386	56.7
72.99307	2.7
73.02953	8.2
75.00894	7.7
83.01398	2.8
85.02950	17.0
87.00889	11.4
89.02452	74.0
93.03468	7.6
95.01408	3.6
101.02454	37.7
103.04079	2.0
113.02470	22.8
117.87254	1.6
119.03509	32.3
131.03494	4.5
143.03490	2.4
149.04524	1.9
155.68654	2.0
158.94038	1.7
161.04567	10.6
165.07698	34.6
179.05661	20.4
200.62328	2.1
204.54886	1.7
237.06239	3.3
267.10889	7.3
315.94846	2.1
327.09299	19.0
327.12979	45.4
328.13617	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	327.1606
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
52.84420	0.4
61.52837	0.4
64.45740	0.5
69.34088	1.0
69.34505	2.5
107.65018	0.4
116.15523	0.5
149.02432	0.5
174.06870	1.1
175.04034	0.5
176.04845	0.6
199.02357	0.5
203.03488	3.9
204.02815	0.4
204.04317	3.6
207.02870	0.6
215.03580	2.1
217.05077	0.5
236.03287	5.5
239.07211	0.5
241.08730	1.6
243.06609	4.2
244.07231	0.7
245.15437	0.6
257.08154	1.0
258.08948	0.8
284.90338	0.4
312.02789	0.7
312.06396	0.7
327.05273	1.7
327.16010	100.0
328.16348	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	327.1816
Annotation	Botryoloic acid
Peak:m/z	Relative Intensity
50.35234	1.2
59.01384	100.0
62.94389	1.1
67.68452	1.1
70.00224	2.8
70.00631	3.9
71.05047	1.5
71.93804	1.2
90.33920	1.2
91.01920	3.2
93.03458	3.2
96.96022	2.5
97.06586	1.6
99.08171	1.5
108.02184	1.5
121.02900	1.3
135.00885	9.6
139.11290	1.8
153.01971	2.4
161.02443	1.4
171.10257	2.6
176.67984	1.2
199.04016	2.9
200.04816	1.7
201.11383	2.7
205.16180	1.6
211.04100	2.5
211.07587	2.7
212.08429	8.5
213.01958	2.4
215.03487	1.6
221.15616	1.5
221.19130	7.9
223.07727	1.6
223.17087	10.0
227.03474	4.2
227.10754	8.7
228.04268	2.9
239.03545	2.7
239.16533	1.7
242.02238	2.0
247.17032	4.9
249.14998	14.1
250.15625	1.6
251.07040	1.4
254.02206	2.0
255.03011	3.8
255.10214	8.0
256.03732	3.0
265.18036	6.0
267.02991	1.2
267.15973	8.4
268.03790	1.6
283.02505	2.9
283.09686	1.9
283.19168	16.5
284.03317	4.8
284.19345	1.6
297.03864	3.0
309.17130	26.1
311.01895	1.5
312.02817	45.1
312.06470	3.0
313.03098	4.0
320.95816	1.3
327.05099	31.3
327.08829	18.2
327.18167	70.5
327.21747	9.5
328.05466	2.9
328.09207	2.9
328.18381	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	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
54.82228	0.9
56.42355	0.8
58.00582	1.0
59.01384	37.8
62.63561	0.7
63.37959	0.7
64.50442	0.9
65.80244	0.9
67.26130	0.7
69.20644	8.5
69.21006	1.3
71.01013	1.1
71.01388	14.5
72.99310	1.1
73.02943	1.8
75.00880	3.6
83.01401	1.1
84.23353	0.9
85.02954	3.4
87.00893	1.9
89.02450	13.4
89.31170	0.9
91.54070	0.8
93.03443	6.1
95.01429	0.8
99.00947	1.0
101.02438	8.1
107.88807	0.7
113.02473	5.7
119.03514	5.3
119.04976	4.1
120.05393	0.9
121.02900	0.8
121.05781	1.4
121.06585	6.1
122.03743	1.2
123.04539	3.4
135.04550	3.0
147.04533	82.4
148.04865	5.4
163.03996	2.7
164.04373	1.5
165.04092	12.9
165.05559	100.0
166.05891	4.4
173.55426	0.8
179.03563	1.8
191.25296	0.9
225.07570	0.9
279.07123	0.8
327.10803	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	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00018	1.5
51.45286	1.3
57.03447	5.4
57.16061	1.7
59.01385	100.0
69.03436	2.1
71.01010	2.7
71.01385	37.8
73.02956	54.2
74.02484	10.4
76.81685	1.6
83.01398	13.0
85.02951	17.1
87.00864	3.2
88.04028	2.2
89.02462	9.4
93.03441	2.5
97.02942	1.6
98.02491	4.9
98.20745	3.9
99.00906	2.5
101.02457	44.8
102.02747	1.7
111.00858	1.9
113.02464	12.7
115.00343	1.5
116.03516	2.2
119.03499	2.7
119.05045	2.8
121.02951	2.9
123.04535	2.1
125.02444	1.9
126.55772	1.5
129.01945	3.1
131.03508	2.1
135.08157	3.7
142.06628	3.6
143.05055	1.6
149.04558	3.0
155.03435	2.3
161.04596	9.2
163.04047	2.1
165.05556	6.3
165.09219	2.7
170.06062	1.7
179.07158	11.4
196.07672	2.5
197.10872	2.4
197.13873	1.4
198.05554	4.8
205.03453	3.3
209.22968	1.5
224.07060	2.7
239.11859	2.2
283.10886	3.0
327.05341	2.1
327.09769	10.6
327.14203	2.0
328.14252	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0937
Annotation	Masuda's compound V
Peak:m/z	Relative Intensity
55.01896	3.3
59.01387	39.0
70.85395	4.1
71.01389	21.7
73.02959	10.2
75.00880	35.8
85.02965	6.2
87.00885	45.7
89.02446	18.0
95.01327	1.2
99.00892	2.6
101.02453	13.9
113.02482	7.6
119.03521	7.4
129.01962	5.1
135.72893	1.5
147.03056	1.6
168.91406	2.8
179.05653	2.4
202.06435	1.2
237.06192	20.5
267.07178	2.8
286.85718	1.3
309.08142	1.8
323.30386	1.3
327.09335	100.0
328.09723	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99808	1.1
53.95790	1.1
54.75282	1.1
56.50866	1.3
57.03443	1.2
57.94804	1.1
58.02981	11.9
58.68792	1.2
59.01380	4.5
70.02988	9.0
71.01395	2.2
71.55532	2.2
72.00913	2.4
72.04542	4.8
74.02483	100.0
75.02769	1.4
85.02964	1.4
87.00919	1.1
89.23889	1.3
98.02488	40.7
100.00440	2.0
101.02449	1.8
112.36593	1.1
116.03558	14.4
116.05000	1.5
120.99657	1.9
133.02982	1.4
135.49843	1.5
142.06641	26.0
143.06927	1.4
154.06622	6.5
156.08208	7.3
165.01910	1.3
166.06593	1.9
167.06120	2.4
168.08194	4.0
170.06117	11.9
170.09785	2.0
172.07692	3.9
180.08247	12.1
181.05315	8.9
181.07750	4.8
182.06085	4.1
195.09222	2.6
196.07709	25.4
196.09818	2.5
197.08055	2.6
197.10858	22.7
198.05618	35.9
198.11066	1.4
199.05936	1.6
199.08792	4.6
209.54892	1.3
210.05580	3.8
211.04099	1.7
211.06151	1.6
211.08615	1.4
223.08714	6.1
224.07201	20.7
239.08275	2.1
239.11937	16.4
241.09831	19.1
242.09912	1.8
267.07773	3.5
283.10901	22.2
284.03329	2.1
284.11304	2.4
285.08844	23.8
286.09055	2.0
299.05603	1.8
312.02759	1.4
327.05164	10.6
327.09845	85.3
327.18069	2.6
328.10297	9.7
335.54297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47184	0.3
59.01380	0.5
69.24056	3.4
98.20646	1.0
109.00572	0.4
117.03441	0.4
129.07054	0.4
132.02151	0.7
133.02916	0.4
143.05016	0.4
147.04550	1.4
155.05038	1.3
156.05763	1.1
157.06587	6.0
170.03741	2.7
171.04500	0.6
173.06088	7.9
178.63542	0.4
179.74261	0.4
182.03833	2.3
184.05362	0.7
185.02332	0.5
185.06081	5.8
186.06470	0.5
197.06081	0.5
198.03224	9.0
199.03831	0.7
201.01974	0.4
203.07161	7.5
210.03273	2.6
211.03864	0.4
213.05597	5.9
214.06015	0.4
225.05533	0.8
225.14867	0.6
226.02747	18.5
227.03181	1.7
227.10696	0.4
229.05107	0.7
231.06607	1.6
238.02737	2.3
239.03552	0.5
240.04042	0.5
241.05086	52.5
242.05423	3.8
253.01556	0.4
253.04944	0.6
254.02220	10.1
255.02779	1.2
257.04501	0.6
266.02219	1.0
268.03699	0.7
269.04572	9.7
270.04953	0.9
282.01758	4.6
283.02222	0.6
283.06369	0.5
284.03052	0.4
296.03278	0.7
297.04068	52.0
298.04437	5.2
311.05603	1.9
312.06412	100.0
313.03635	0.9
313.06735	10.4
327.05219	3.6
327.08755	45.9
327.21729	3.3
328.05624	1.1
328.09070	5.3
328.22311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52822	0.4
52.70300	0.4
54.97445	0.4
59.01390	2.1
65.47920	0.4
69.23872	0.6
69.24274	3.8
71.01395	0.6
71.95738	0.4
89.02445	0.7
95.01393	1.8
108.02190	11.1
123.00905	3.6
123.04540	12.5
133.02890	0.4
138.03220	1.2
138.30893	0.4
140.48007	0.4
146.03752	0.8
147.04523	0.9
148.01677	92.0
149.01971	4.0
161.02403	1.4
162.03246	11.8
163.04022	100.0
164.04376	4.4
173.06064	0.6
177.05586	1.5
180.00655	13.7
181.00922	0.5
185.06148	0.5
189.01976	1.0
195.10260	0.4
198.03209	0.8
203.07161	0.7
204.04248	0.5
209.11765	0.7
211.04065	0.5
212.04895	0.5
224.04840	1.0
225.05553	0.9
226.02644	1.1
227.03360	0.8
239.03566	0.5
240.04207	0.6
241.05095	5.3
242.05460	0.8
253.05035	0.8
256.03848	1.0
267.02994	0.8
267.06754	0.7
268.03659	2.0
268.07455	1.0
269.04507	1.4
283.06363	2.0
283.09299	0.5
284.03049	0.6
295.06192	0.6
297.04059	5.0
298.04355	0.6
312.02780	1.7
312.06366	12.5
313.06686	1.2
327.05020	6.6
327.08783	10.6
327.21732	2.1
328.05460	0.7
328.09152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52822	0.4
52.70300	0.4
54.97445	0.4
59.01390	2.1
65.47920	0.4
69.23872	0.6
69.24274	3.8
71.01395	0.6
71.95738	0.4
89.02445	0.7
95.01393	1.8
108.02190	11.1
123.00905	3.6
123.04540	12.5
133.02890	0.4
138.03220	1.2
138.30893	0.4
140.48007	0.4
146.03752	0.8
147.04523	0.9
148.01677	92.0
149.01971	4.0
161.02403	1.4
162.03246	11.8
163.04022	100.0
164.04376	4.4
173.06064	0.6
177.05586	1.5
180.00655	13.7
181.00922	0.5
185.06148	0.5
189.01976	1.0
195.10260	0.4
198.03209	0.8
203.07161	0.7
204.04248	0.5
209.11765	0.7
211.04065	0.5
212.04895	0.5
224.04840	1.0
225.05553	0.9
226.02644	1.1
227.03360	0.8
239.03566	0.5
240.04207	0.6
241.05095	5.3
242.05460	0.8
253.05035	0.8
256.03848	1.0
267.02994	0.8
267.06754	0.7
268.03659	2.0
268.07455	1.0
269.04507	1.4
283.06363	2.0
283.09299	0.5
284.03049	0.6
295.06192	0.6
297.04059	5.0
298.04355	0.6
312.02780	1.7
312.06366	12.5
313.06686	1.2
327.05020	6.6
327.08783	10.6
327.21732	2.1
328.05460	0.7
328.09152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
57.55009	0.7
59.01376	2.3
69.87684	3.5
71.01363	1.3
87.04522	2.2
92.74494	0.8
104.77526	0.8
126.74911	0.9
132.02180	1.0
155.04973	1.3
156.05772	1.5
157.06595	9.7
170.03726	4.2
173.06097	13.5
182.03758	1.1
184.05258	2.0
185.06055	8.3
185.11829	2.3
197.11682	1.4
198.03221	11.8
203.07176	12.3
207.04298	0.8
209.11772	0.9
210.03246	1.8
213.05595	8.7
221.11894	1.3
226.02731	17.3
227.03151	1.3
231.06593	2.3
238.02827	1.8
241.05087	73.6
242.05389	7.7
254.02206	4.4
269.04572	4.2
282.01761	1.2
283.06110	0.8
297.04059	47.8
298.04449	4.8
311.05649	1.5
312.06427	100.0
313.06815	9.3
327.08755	47.7
327.21756	26.6
328.09085	5.6
328.22122	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	327.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86703	1.0
57.03438	1.2
59.01384	28.8
65.03988	2.0
67.01880	2.0
69.03462	1.5
69.31364	9.9
72.99332	1.4
75.00873	3.1
76.20659	1.2
80.02683	1.4
83.05030	2.6
84.02179	2.4
85.02951	4.3
88.95267	1.6
89.02448	1.5
91.01894	2.8
93.03431	1.4
97.02960	1.3
108.02181	5.3
109.02246	1.7
109.02962	20.4
123.00880	2.9
123.04515	2.4
123.28499	1.2
125.09755	1.6
127.11262	1.5
129.09212	2.8
133.02943	3.7
134.03743	15.1
135.00867	6.5
137.09692	3.7
141.09222	1.7
145.02916	2.3
149.06093	13.8
153.01961	2.0
155.10789	5.8
161.02434	5.4
163.00386	19.8
165.12813	1.3
171.10287	21.4
174.03137	3.5
175.03961	2.2
177.01917	1.4
177.05592	10.0
178.02715	3.3
181.06577	2.1
183.04443	3.9
183.13931	3.3
185.05978	1.3
185.11819	7.5
187.00391	7.7
197.06067	4.8
197.11826	5.8
199.03954	4.2
201.05516	1.9
201.11308	2.5
202.02771	2.1
209.06062	1.3
209.11852	18.0
210.03203	8.9
210.12260	1.2
211.03937	2.9
211.13379	6.4
213.05614	1.6
213.11412	2.4
217.05034	2.0
221.11862	1.8
223.03958	3.5
224.04773	4.5
225.05566	15.8
226.02724	3.0
227.03436	10.9
227.12907	2.4
229.05092	5.6
229.14409	2.8
239.12776	1.6
239.16537	5.2
241.05086	16.7
251.03438	4.3
252.04257	12.8
253.05069	24.5
254.02257	2.4
254.05428	1.5
255.02856	5.0
257.08270	7.9
267.06625	6.1
268.07489	7.1
269.04568	32.8
270.04938	3.2
279.02997	5.9
282.01764	2.0
283.02264	1.7
283.06146	2.7
284.03217	4.5
284.06812	2.4
285.07632	4.4
291.19730	4.4
297.04071	99.6
298.04404	10.4
299.05792	1.7
299.09201	1.5
309.20828	9.6
311.05566	5.4
312.02676	10.1
312.06372	47.0
313.06708	4.2
327.05042	19.3
327.08719	100.0
327.21790	82.9
328.05511	1.8
328.09091	12.0
328.22125	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	327.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01384	34.3
63.25336	0.9
67.01884	3.2
68.59041	1.0
68.99825	1.9
70.03025	4.4
71.01419	1.0
75.02413	1.5
75.50364	0.9
83.01394	1.8
91.01948	1.2
93.02876	1.6
93.03463	31.6
94.03811	1.6
95.01418	3.1
96.96000	1.2
107.08717	1.0
108.02181	14.2
111.00884	1.5
120.02124	1.0
121.02960	9.5
123.00863	1.8
135.00836	1.3
135.04518	4.3
136.01669	1.7
137.02457	1.1
137.09706	1.1
139.00435	2.3
149.02461	4.1
151.03996	10.3
153.02028	1.7
161.02448	2.6
163.04022	3.7
164.01109	1.1
164.04802	2.6
165.01877	2.3
167.08678	1.2
169.06630	1.4
171.10265	1.9
177.01967	1.5
179.03513	5.6
181.01479	1.8
183.10254	1.4
187.03998	1.6
193.06682	1.3
195.08148	0.9
196.03758	1.3
198.03293	1.0
200.04759	1.3
201.11301	4.0
201.12973	1.2
201.80536	1.1
211.04021	4.0
211.07660	30.8
212.04820	2.9
212.08432	82.9
213.08759	7.0
214.02765	1.8
221.19185	3.2
223.07666	1.5
223.17004	3.4
223.57195	0.9
225.09207	2.5
227.03470	3.0
227.10789	91.1
228.04265	1.2
228.11118	7.4
237.09201	2.9
239.03447	1.7
239.07133	10.3
239.10762	2.9
240.04338	6.4
240.07899	18.5
241.08321	1.6
242.02074	1.1
249.14879	6.0
251.07132	3.7
253.08809	4.8
255.02934	3.0
255.10278	72.0
256.03641	1.4
256.10617	8.0
267.16028	4.6
268.07419	1.7
269.00909	3.8
271.06412	0.9
271.09705	1.1
272.06851	2.3
283.02588	3.6
283.09769	25.8
283.19061	4.6
284.03287	4.8
284.10123	1.4
297.00449	12.5
297.03741	1.9
299.05887	1.9
299.09210	13.2
300.09503	1.1
309.17181	7.1
309.20438	1.4
310.17444	1.4
312.02811	27.7
312.06232	1.2
313.03275	3.0
327.05054	37.2
327.08749	100.0
327.18082	23.8
327.21814	11.6
328.05484	3.0
328.09091	9.3
328.22098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06991	0.6
52.36909	0.6
59.01376	2.5
62.29054	0.6
67.75466	0.6
69.68298	3.4
75.02435	0.6
83.01403	0.7
93.03470	5.7
95.01422	0.6
96.34113	0.6
108.02192	2.7
111.00888	1.3
121.02982	1.4
123.00954	0.9
124.98596	0.6
135.04567	0.8
136.01694	0.8
147.39951	0.7
151.00363	0.9
151.04039	2.4
161.02419	0.8
163.03967	0.7
164.01083	0.6
165.01970	1.3
167.05054	1.8
169.03041	1.2
170.03709	0.8
171.04541	1.0
171.10385	0.8
172.10657	0.7
173.02412	0.7
174.03287	0.9
179.03513	1.2
183.04538	4.1
184.05379	1.9
185.02496	1.5
187.04018	2.2
188.04810	0.7
189.06706	0.7
199.04041	1.2
200.04865	1.3
201.11371	1.6
211.04037	16.7
211.07607	6.9
212.04807	13.2
212.08440	15.6
213.01947	1.3
213.05148	0.8
214.02756	1.4
215.03552	1.4
216.04308	2.9
227.03467	3.1
227.10793	17.3
228.04362	1.6
228.11105	1.3
238.02637	0.9
239.03514	7.6
239.07170	2.0
240.04292	26.9
240.07808	3.1
241.04744	1.6
242.02153	1.1
243.02924	0.8
253.08766	1.4
254.02380	1.0
255.02992	6.1
255.10271	13.7
256.03754	5.2
267.02875	1.4
268.03812	1.7
269.00983	3.0
282.01556	0.9
283.02521	10.6
283.09756	3.9
284.03259	19.1
284.10150	1.2
285.03534	1.8
297.00412	9.0
297.03668	1.0
298.04663	0.9
299.05728	1.9
299.09378	1.7
311.02066	2.5
312.02789	40.2
312.05701	1.8
313.02893	4.0
327.05179	100.0
327.08835	19.6
327.18118	1.3
327.21841	7.1
328.05499	10.2
328.09106	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	327.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78773	0.3
50.94990	0.3
57.03443	0.3
59.01385	1.1
60.57335	0.3
65.00323	1.0
68.99841	0.4
69.55459	1.7
69.69148	0.3
72.43757	0.3
73.73207	0.3
83.01425	0.4
85.02952	0.3
91.01943	0.3
94.00661	0.4
95.01417	1.8
107.01382	0.9
108.02203	0.4
110.00102	0.5
124.01637	0.3
133.02928	0.4
135.00882	0.5
148.01701	0.5
149.02443	0.4
149.99599	0.9
151.00397	1.8
155.10854	0.3
161.02452	0.8
168.05786	0.3
169.03009	0.4
170.03758	0.6
170.21701	0.3
171.04553	0.4
171.10286	0.6
173.02417	0.7
174.03209	0.9
176.01149	0.6
177.01967	0.4
182.03703	0.5
183.04491	1.2
184.05266	0.6
185.02452	0.9
185.11919	0.4
187.04048	0.7
189.01956	0.6
195.04543	0.5
197.02461	0.6
197.11729	0.4
198.03256	2.2
199.03989	1.4
200.04790	0.7
201.01935	1.0
211.04030	4.9
212.04774	4.4
213.02043	0.5
214.02711	1.6
215.03470	1.2
216.04295	3.8
225.02072	0.6
226.02705	2.1
227.03493	3.5
228.04295	0.6
239.03571	2.4
240.04301	6.3
241.04822	0.8
242.02162	0.5
243.02930	0.7
244.03731	0.6
244.38835	0.3
254.02184	0.5
255.03012	13.5
256.03705	3.2
267.03067	1.0
268.03775	1.0
282.01688	2.2
283.02505	29.2
284.03229	16.2
285.03625	1.4
297.03955	0.3
298.04443	0.4
299.05655	3.2
311.01981	17.5
312.02765	25.1
312.06149	0.9
313.03088	2.3
327.05115	100.0
327.21780	3.6
328.05438	10.3
328.22061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28134	0.4
54.74356	0.4
59.01384	1.9
64.41470	0.4
65.00320	1.1
65.26759	0.4
70.02450	2.2
88.19402	0.5
95.01382	1.1
119.87212	0.6
123.00897	3.6
127.37187	0.4
133.02980	1.1
135.00902	0.7
148.01697	1.1
149.99591	2.2
155.05013	0.5
161.01276	0.4
161.02484	2.0
167.05034	0.6
170.03714	0.8
171.04524	0.6
172.05412	0.6
180.04448	0.5
182.03749	0.8
183.04501	2.6
184.05074	0.7
185.02531	1.0
186.03163	0.5
187.04033	0.5
189.01968	0.5
195.04599	1.0
198.03267	1.6
199.04042	1.8
200.04805	2.1
210.03249	1.3
211.04036	4.5
212.04724	0.8
213.02029	0.9
215.03470	0.5
223.04021	0.7
226.02803	2.5
227.03534	5.7
228.04333	2.4
231.03075	0.8
237.01941	0.8
238.02725	1.9
239.03519	3.8
240.04323	1.7
253.01616	0.4
254.02219	4.0
255.02966	7.9
256.03772	3.3
257.04163	0.5
263.45404	0.4
266.02176	0.8
267.02942	2.7
268.03827	1.0
269.04541	3.8
281.04599	0.5
282.01636	0.9
283.02539	10.5
283.05881	1.0
284.03250	6.2
285.03610	0.8
295.02631	0.8
297.04074	22.3
298.04446	1.8
311.02057	8.1
311.05643	0.6
312.02795	100.0
312.06003	4.0
313.03134	8.7
313.06689	0.9
327.05124	55.2
327.08829	17.3
327.21686	2.1
328.05441	5.3
328.09195	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
63.02442	0.4
65.00330	1.1
65.03527	0.3
73.02950	0.4
85.02956	0.4
95.01389	2.1
97.06618	0.5
98.19913	0.7
107.01414	0.7
110.00160	0.3
132.02226	0.4
133.02998	0.7
135.04544	0.5
145.03004	0.5
147.04541	0.4
148.01712	0.6
149.02403	0.5
149.99603	1.0
151.00418	2.0
157.06630	0.4
161.02443	1.0
170.03673	0.7
171.10320	2.4
173.02444	0.7
173.06140	0.8
174.03232	0.5
176.01140	0.5
177.01976	0.6
182.03760	1.3
183.04488	1.1
184.05232	0.7
185.02463	0.8
185.06154	0.8
187.04062	0.8
188.04678	0.4
189.01953	0.7
190.02863	0.4
197.02350	0.6
198.03239	3.1
199.03981	0.9
201.01932	1.8
202.02826	0.6
203.07143	0.5
210.03197	0.4
211.04012	5.4
211.05916	0.6
211.13443	1.2
212.04791	4.6
213.01913	0.5
213.05496	0.6
214.02725	1.5
215.03528	1.3
216.04262	3.6
225.01938	0.8
225.09236	0.7
226.02725	2.8
227.03511	3.4
228.04256	1.0
229.01425	0.6
229.14482	0.7
239.03528	3.9
240.04291	7.6
241.01251	0.4
241.05083	5.4
241.12170	0.6
242.02127	0.5
243.03191	0.4
244.03728	0.8
250.12675	0.4
254.02257	1.0
255.03008	12.5
256.03683	3.2
265.01364	0.4
265.08414	0.4
267.03049	1.3
268.03708	0.5
269.11813	1.2
282.01764	2.1
283.02505	33.3
283.19220	1.1
284.03226	17.3
285.03705	1.5
297.04095	3.4
298.04562	0.5
299.05582	3.3
309.15158	0.3
309.20877	0.5
311.01990	17.8
312.02756	25.5
312.06433	6.2
313.03149	2.1
313.06540	0.7
327.05130	100.0
327.08496	4.3
327.21780	11.5
328.05463	10.9
328.09067	0.7
328.22046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07607	1.0
59.01385	2.8
68.13383	1.0
69.20750	8.8
69.21155	2.0
76.69986	1.1
79.86791	1.3
98.19953	2.9
110.83304	1.1
116.98793	1.1
157.06586	2.6
170.03607	1.4
173.06119	3.6
185.06154	2.0
185.11876	2.3
197.11906	1.5
198.03299	2.9
203.07266	2.5
213.05656	2.0
226.02780	5.9
227.03581	2.5
241.05051	18.2
254.02193	1.6
255.03011	2.5
256.03732	2.9
269.04578	1.5
283.02554	2.9
284.03284	20.8
297.04041	14.4
299.05582	2.1
311.02090	2.1
312.02814	49.0
312.06479	25.4
313.03165	3.8
313.06732	2.5
327.05173	100.0
327.08804	14.1
327.21753	18.0
328.05405	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	327.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38961	0.4
51.49206	0.4
56.14080	0.4
59.01393	0.9
60.76161	0.4
63.02407	0.5
65.00347	0.6
69.48706	0.4
69.52816	2.2
74.96511	0.4
83.01383	0.6
95.01399	1.5
100.16902	0.4
105.95963	0.5
107.01376	0.5
115.94617	0.4
148.01787	0.5
149.99582	0.6
150.90372	0.4
151.00395	1.9
154.04298	0.5
161.02480	0.7
171.10313	0.7
174.03244	0.8
176.01189	0.6
178.02104	0.4
182.03746	0.6
183.04486	1.1
184.05254	0.8
185.02327	0.5
187.03973	0.5
189.01991	0.9
193.00484	0.4
197.02451	0.6
198.03214	2.1
199.04002	1.0
200.04814	0.6
201.01945	1.2
201.11371	0.7
210.82336	0.4
211.04037	5.1
212.04785	3.9
214.02750	1.9
215.03493	1.2
216.04268	3.5
226.02769	2.0
227.03545	3.0
228.04115	1.0
237.01942	0.6
238.02638	0.5
239.03494	3.1
240.04306	6.4
241.04652	0.6
242.02216	0.6
244.03806	0.9
254.02200	0.8
255.03032	11.9
256.03659	3.2
267.02905	0.8
270.01587	0.5
277.71689	0.5
282.01675	1.5
283.02499	30.8
284.03238	17.3
285.03696	1.3
299.05719	2.7
309.20566	0.7
311.01971	17.2
311.05548	1.0
312.02762	25.3
313.03107	1.8
327.05112	100.0
327.21802	4.4
328.05466	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	1.4
63.53784	0.6
69.03516	1.1
71.01431	0.7
76.26016	0.6
85.02950	3.3
97.06625	0.9
110.00187	0.8
121.03058	0.6
125.09747	1.4
132.02269	1.1
139.11472	0.9
143.05020	1.2
153.12921	0.7
155.10774	0.9
156.05855	1.1
160.98868	0.8
161.02522	1.5
163.00438	2.1
171.04614	1.3
171.10274	9.1
183.04570	2.2
183.13911	1.5
184.05360	1.3
190.99901	3.1
198.03259	1.3
199.04070	2.3
200.04813	1.5
201.11414	0.8
211.04024	3.9
211.13406	4.5
212.04692	1.0
213.09271	0.9
226.02580	0.8
227.03502	5.8
228.04251	2.3
229.14474	3.5
237.02097	0.8
239.03548	4.1
240.04393	3.7
241.04945	0.8
254.02260	1.0
255.03026	8.8
256.03781	2.4
265.21854	1.0
267.03012	1.6
267.06830	0.8
267.78482	0.7
268.03772	4.7
269.04559	1.1
283.02515	9.9
284.03253	3.8
295.02505	0.9
295.06064	1.3
297.00665	0.9
297.04108	1.5
311.01971	6.0
312.02789	100.0
313.03064	9.3
327.05115	72.3
327.21841	25.8
327.25745	1.5
328.05432	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39648	0.4
52.35041	0.5
59.01396	1.8
63.42190	0.5
68.97366	0.4
69.03493	0.7
69.86494	1.9
71.01391	0.4
71.13614	0.5
73.54647	0.5
74.07942	0.4
75.63123	0.5
79.85454	0.7
85.02999	0.5
87.98341	0.4
110.00162	0.5
114.11969	0.5
117.03551	0.7
121.02975	0.8
132.02226	0.5
135.00914	0.5
143.05037	0.7
154.35834	0.6
158.03839	0.8
161.02505	1.0
163.00407	0.6
167.05040	2.0
169.03004	1.2
171.04597	0.8
171.10263	2.4
182.03757	0.5
183.04596	2.2
184.05312	1.7
185.02451	0.8
186.03287	0.6
187.04092	0.9
195.04517	1.1
199.03995	4.5
200.04791	3.2
211.04019	6.7
211.13280	0.9
212.04710	1.4
213.01965	3.5
214.02768	1.8
215.03484	3.8
216.04253	0.6
220.59706	0.5
226.02646	0.5
227.03575	1.9
228.04262	5.9
229.14462	0.7
239.03473	5.5
240.04260	4.9
241.01527	0.9
242.02222	5.7
243.02777	0.7
245.38182	0.6
255.03023	3.7
256.03741	0.9
260.03372	0.6
267.02960	1.1
268.03769	1.3
283.02509	4.8
284.03195	1.7
297.03937	0.7
309.11273	1.0
311.02051	4.4
312.02777	100.0
313.03113	8.8
327.05106	54.4
327.11597	0.7
327.21814	10.5
328.05392	5.5
328.22192	0.9
332.06845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
54.24856	0.4
59.01394	1.3
62.29758	0.4
63.35668	0.3
67.49515	0.4
71.55094	0.5
79.95757	1.1
96.25130	0.4
119.05036	1.0
147.08090	0.5
149.09732	92.5
150.08995	0.5
150.10083	5.2
163.11302	100.0
164.11641	6.0
167.31827	0.3
170.00471	1.0
181.03926	0.4
183.01219	38.7
184.01961	6.1
192.12260	0.4
197.02820	2.0
198.03450	0.6
216.00993	3.2
239.07495	0.4
281.15598	0.6
307.13675	0.8
325.18341	74.3
325.21762	80.7
325.27045	4.4
326.18640	8.5
326.22107	11.7
341.93597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0509
Annotation	Dalspinin
Peak:m/z	Relative Intensity
50.13613	0.1
51.07533	0.1
52.43847	0.1
55.01880	0.1
56.40375	0.1
57.91192	0.1
59.01373	0.2
61.75632	0.1
65.00329	1.3
65.03958	0.1
65.33904	0.1
67.01908	0.3
68.99844	0.2
69.03463	0.2
71.54140	0.1
71.54530	0.1
77.03976	2.0
79.01898	1.8
81.03466	0.7
83.01397	1.0
87.00877	0.1
91.05525	0.3
93.03476	1.0
95.01395	0.2
95.05046	0.4
97.02958	1.6
101.02491	0.1
103.05569	0.1
105.03477	1.1
107.01409	1.4
107.05042	0.2
108.02203	0.2
109.02963	3.8
109.03704	0.2
110.03313	0.1
117.03489	0.3
119.05033	2.4
120.05463	0.1
121.02967	3.6
123.00885	0.9
123.04523	0.4
125.02454	2.6
129.88776	0.1
131.01387	0.3
131.05057	0.2
132.02199	0.9
133.02969	26.3
134.03389	0.9
134.30771	0.1
135.00926	0.2
135.04539	3.4
136.01654	0.3
136.04788	0.2
137.02478	0.8
143.05028	0.3
145.02966	0.8
146.03708	0.2
147.00874	0.1
147.04532	2.1
148.01694	0.9
148.04849	0.1
149.02448	2.1
151.00420	0.6
151.04033	1.0
157.06577	0.1
159.04462	0.2
161.02444	1.0
162.03250	0.1
163.00406	0.6
163.04030	6.1
164.01155	0.4
164.04318	0.2
165.01945	3.0
166.02333	0.1
166.48679	0.1
168.05827	0.1
171.04523	0.4
173.02449	0.8
173.06056	0.2
174.03281	0.5
175.00368	0.2
175.04016	3.8
176.01070	0.2
176.04434	0.2
177.01971	0.7
181.06558	0.2
183.04509	0.3
183.08170	0.2
184.05273	0.2
185.06073	0.4
187.03986	0.3
187.07605	0.2
189.01953	0.4
189.05592	0.2
190.02640	0.2
190.99867	0.1
191.03520	2.9
191.07240	0.1
192.03897	0.2
193.01439	2.9
194.01672	0.2
195.04599	0.3
196.05275	0.5
197.06017	0.3
198.03259	0.6
199.04044	1.6
199.07719	0.5
200.04691	0.3
201.01961	1.5
201.05534	0.1
203.07127	0.1
208.05199	0.2
209.06052	0.4
210.06779	0.1
211.04050	1.2
211.07668	0.5
212.04749	0.9
213.05591	1.6
214.02765	0.1
214.06061	0.2
215.03381	0.2
217.05060	0.4
219.02959	0.1
224.04755	0.2
225.05605	0.8
226.02637	0.2
226.06180	0.2
227.03453	0.8
227.07088	0.6
228.04172	0.2
229.05051	0.6
231.06557	0.7
237.05646	0.5
238.06104	0.2
239.03465	0.3
240.04291	1.4
241.05048	1.2
242.02211	0.3
243.03000	0.5
243.06677	0.2
251.03613	0.1
253.05069	1.0
254.05823	0.3
255.03018	0.6
255.06641	1.3
256.03748	1.0
256.06396	0.2
257.04510	0.4
259.06073	0.4
265.04944	0.2
265.08728	0.1
266.02280	0.2
267.03030	0.1
268.03360	0.1
269.04663	0.5
270.05350	0.3
271.06104	0.8
281.04648	0.7
283.02478	0.5
283.06183	0.3
283.09653	0.1
284.03281	13.4
285.03589	1.2
297.00690	0.1
297.04062	2.1
298.01340	0.2
298.04822	5.4
299.05618	23.4
300.05951	2.1
309.04089	0.6
327.05112	100.0
328.05453	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.2
58.00601	3.5
59.01389	4.6
63.98468	1.6
69.03470	2.3
69.47091	8.9
69.47498	2.1
71.01384	2.2
71.05040	2.7
72.37238	1.4
73.02962	1.8
76.17815	1.3
80.02668	2.5
83.05028	3.7
87.04519	2.8
92.35844	1.4
97.06590	3.3
99.08131	1.5
109.06602	4.4
111.08167	18.7
123.08155	2.4
125.09737	23.0
127.11317	10.0
135.08159	3.2
137.09744	8.2
139.11319	2.0
141.09229	2.7
151.11266	6.0
153.09200	5.9
155.10773	4.5
164.08481	2.2
165.09215	2.2
167.10789	2.8
169.12328	3.1
171.10301	13.9
187.68398	1.5
193.12170	1.6
195.10217	4.5
197.11873	9.7
199.09766	3.6
201.11336	68.5
202.11659	4.8
209.11835	4.9
211.13463	8.5
213.11343	47.1
214.11674	3.4
227.12903	1.8
237.14900	3.6
245.19148	1.6
276.57364	1.7
279.67038	1.7
288.87598	1.4
289.18109	23.8
290.18503	2.9
307.19189	41.8
308.07556	1.4
308.19601	2.8
315.73764	1.5
325.20212	100.0
326.20526	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.0
59.01385	35.0
62.94852	1.6
69.84311	6.2
70.55680	1.7
71.01389	6.3
71.05025	6.4
72.99310	1.6
73.02943	2.6
80.02679	2.1
83.05031	7.7
84.02177	4.6
85.02959	1.8
95.05023	3.0
95.74637	1.7
97.02956	1.6
97.06583	4.9
98.03726	1.5
99.04527	2.0
99.08163	3.9
109.06598	3.3
111.08178	2.3
113.06149	1.8
115.07669	3.5
120.81675	1.9
121.06567	1.7
123.08245	2.0
125.09727	7.1
127.07675	17.6
127.11442	2.0
135.08167	3.8
137.09706	2.1
139.07666	3.2
153.09239	18.1
155.10788	3.5
163.11322	6.3
165.12883	3.5
167.10709	1.8
171.10262	20.3
175.20247	2.0
178.10027	2.5
181.12259	2.4
185.11848	20.5
186.12178	2.2
187.97910	1.7
191.14520	2.1
197.11842	17.3
209.11845	80.4
210.12201	5.6
211.13310	2.4
235.13338	2.1
237.14990	4.7
238.12103	6.3
245.19141	4.4
256.13034	2.0
289.18152	12.3
295.02505	2.3
307.19177	100.0
308.19492	13.7
310.04727	2.3
325.03445	2.1
325.20233	56.6
326.20621	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01704	2.7
61.01815	1.6
71.01383	6.5
71.30025	0.9
71.30357	1.6
73.02951	1.6
81.30045	0.8
83.01396	1.0
85.02961	2.9
89.02454	2.5
94.08217	0.7
101.02459	6.3
113.02434	2.5
119.03589	1.6
119.05042	24.0
119.42989	0.8
120.05346	1.8
127.29943	0.8
159.03023	1.4
161.04613	4.5
161.05780	0.8
163.04024	15.7
206.30560	0.9
215.26100	0.8
253.39633	0.9
265.12991	8.5
266.13281	1.2
325.14319	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	Unknow
Peak:m/z	Relative Intensity
51.21092	1.4
55.01857	1.8
57.03460	8.9
59.01382	25.1
63.65471	1.6
69.03457	3.1
69.71489	10.0
71.01392	2.0
71.05026	7.9
73.02941	3.7
80.02667	1.9
81.03424	1.9
83.05040	3.1
85.06584	3.9
87.04542	3.3
91.05548	3.1
94.95007	1.5
95.05005	3.4
97.02929	7.3
97.06588	6.6
107.05032	2.7
109.06604	34.0
111.08166	2.1
123.08128	1.8
125.06066	4.1
127.07635	3.0
137.09683	1.8
141.09283	2.3
169.12341	7.4
171.10327	1.6
175.73189	1.6
181.12366	5.9
183.13901	3.3
187.09772	2.6
193.12332	3.9
197.11842	71.2
198.12207	3.6
199.13356	6.0
211.13408	38.1
212.13826	3.3
215.23026	1.8
219.13861	2.6
227.12965	1.6
230.04959	1.6
235.13535	3.9
237.14963	8.5
245.18774	1.5
249.14897	4.9
289.18124	5.0
307.19250	2.8
325.20218	100.0
326.20465	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66713	1.2
57.03452	2.5
59.01377	4.8
62.79855	1.0
67.30941	1.0
69.76020	2.8
69.76417	2.4
70.70914	1.0
71.01389	2.0
71.05011	3.1
79.05536	1.8
80.02686	1.3
81.03465	2.0
83.05028	8.5
84.02160	3.7
85.02947	1.7
95.05025	3.0
97.06046	1.0
97.06588	6.0
109.06606	2.0
111.04517	2.6
111.08125	1.4
111.85168	1.1
115.07645	2.0
123.08156	3.0
125.09684	3.4
127.07655	5.5
135.08160	3.1
139.07709	1.3
139.37445	1.0
155.10803	1.6
163.11288	5.0
165.12854	2.3
171.10309	12.3
178.10017	1.6
181.12413	1.8
185.11835	9.6
191.10774	2.3
197.11830	6.8
209.11844	100.0
210.12160	4.6
211.13371	3.5
221.75488	1.2
227.12846	5.5
235.13297	1.7
237.15051	3.1
238.12099	1.7
245.19057	2.2
249.15027	3.0
251.16447	1.4
267.15723	1.4
289.18036	8.9
295.02441	2.5
307.19177	37.6
308.19495	2.9
310.05121	1.5
325.07166	4.1
325.20230	38.7
326.20670	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	325.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01344	0.8
57.03456	1.7
59.01382	13.8
69.03468	1.1
71.01398	1.5
71.05011	1.3
71.10442	0.8
79.05547	1.0
82.67715	0.9
83.05025	2.5
87.17879	0.8
95.05062	1.1
95.46151	1.0
97.06586	1.5
101.02515	1.0
102.21490	1.0
109.06623	1.3
109.28873	1.0
109.31760	0.9
111.04556	1.4
116.07167	1.4
123.08183	1.8
125.09769	1.4
135.08194	1.0
138.13728	0.8
149.02431	1.8
165.07062	1.1
167.08658	4.0
169.30420	0.7
171.10248	3.5
172.04871	0.9
181.06577	1.1
183.08211	2.4
185.11812	2.0
195.08183	10.9
197.06046	10.8
197.09932	0.9
197.11841	3.0
204.97095	0.9
208.05275	3.9
209.06107	7.2
209.11807	7.5
210.06880	14.0
211.07649	34.1
211.13419	1.7
212.08060	8.0
213.09244	1.3
221.06122	1.8
222.06877	14.7
223.07655	51.8
224.04959	1.7
224.08386	19.5
225.05614	32.1
225.09177	29.5
226.06018	2.0
226.09587	2.1
236.04703	1.0
237.05582	17.7
237.15044	1.7
238.06334	25.6
239.07127	69.6
240.07899	100.0
241.08238	9.3
251.07178	1.3
253.08690	11.5
254.09413	4.8
255.10280	66.9
256.10638	7.7
263.10797	1.5
289.18143	1.8
291.10373	8.7
292.11044	6.4
293.11649	2.4
307.13428	2.3
307.19156	7.3
309.11288	3.7
310.12054	33.6
311.12378	4.1
324.13635	1.6
325.14395	49.5
325.20227	20.0
326.14905	4.1
326.20419	3.1
339.29874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1447
Annotation	Spiranthol C
Peak:m/z	Relative Intensity
69.53573	2.3
79.05561	0.4
80.78483	0.3
91.05498	0.5
93.03453	0.6
93.07069	0.4
98.19949	0.7
107.04298	0.7
107.05037	13.9
108.05354	0.4
109.06595	13.4
110.06953	0.4
119.05013	0.3
120.66142	0.3
120.99565	0.3
121.02950	0.5
122.03740	0.9
131.08672	0.9
134.03740	0.7
135.04535	34.8
136.04860	1.7
147.04507	0.7
149.02460	0.8
149.06111	0.5
157.06613	2.6
158.08395	0.3
159.08174	3.6
161.02426	0.6
169.10225	0.6
171.08163	1.1
172.08865	1.5
173.02426	1.4
173.06000	0.5
174.56413	0.3
175.07652	0.9
181.10225	0.6
182.07411	0.6
187.07640	1.5
190.09967	3.7
195.08145	1.4
204.07945	0.6
208.08835	0.4
211.07643	0.4
212.08417	0.9
213.09227	3.3
214.06293	0.4
214.09467	0.4
216.07851	0.4
222.09039	0.4
225.09221	14.9
226.09967	14.3
227.10336	1.3
232.37332	0.3
237.09268	1.8
237.12846	11.7
237.16405	0.5
238.09895	0.9
238.13173	1.1
247.11324	1.2
248.12071	1.3
249.18645	0.4
263.14410	8.3
264.14865	0.8
279.13895	0.9
281.15475	47.7
282.15820	5.7
293.17621	0.6
305.11768	0.5
307.13403	68.2
308.13730	8.4
325.14453	100.0
326.14801	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-4-hydroxycinnamate
Peak:m/z	Relative Intensity
50.65525	0.3
53.02971	0.3
59.01379	1.8
60.42853	0.2
67.90239	0.2
69.46601	1.7
71.01394	0.9
85.02998	0.3
89.02460	0.5
93.03457	0.4
95.62405	0.2
101.02452	0.7
101.03964	0.5
117.03465	0.5
119.05035	100.0
120.05375	4.6
128.96490	0.3
161.04547	0.4
163.04021	57.1
163.24928	0.3
164.04338	3.0
224.54198	0.3
323.73434	0.3
325.13925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1144
Annotation	H disaccharide
Peak:m/z	Relative Intensity
55.01889	3.1
57.03199	3.2
57.03456	37.7
58.00587	3.2
59.01383	91.7
69.80576	4.2
69.80986	5.8
71.01389	51.1
72.99310	2.7
73.02950	8.5
80.47591	1.7
83.01393	4.1
85.02969	15.0
87.00895	3.1
89.02456	38.7
95.01417	2.9
96.99105	1.8
97.02943	3.2
98.19872	2.2
99.04527	31.9
101.02451	54.1
113.02461	14.6
119.02790	2.1
119.03487	12.5
125.02448	10.4
131.03494	4.3
133.05077	13.6
145.05101	10.4
161.04584	14.8
163.06142	31.1
175.03867	1.9
179.05609	2.4
181.07193	100.0
182.07509	4.1
193.07082	2.5
223.08243	13.5
263.11386	2.7
325.05563	3.7
325.11359	79.8
326.11761	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	325.093
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01396	0.7
70.29762	0.9
93.03488	0.5
98.20055	0.4
117.03522	0.8
119.05039	100.0
120.05367	4.3
137.37733	0.4
145.02962	1.5
163.04024	68.5
164.04396	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
57.03434	0.2
58.61159	0.2
59.01385	0.5
62.55472	0.2
69.20044	2.1
69.20442	0.5
69.47665	0.2
71.01385	3.5
73.02947	0.9
75.00865	0.3
83.01392	0.2
85.02956	1.4
90.98606	0.5
91.05536	1.5
95.01378	0.3
98.19862	0.5
99.00893	0.6
101.02477	1.7
101.03975	4.8
102.55744	0.2
104.05186	0.2
113.02492	1.4
117.03481	2.7
119.05039	100.0
120.05367	4.5
132.91833	0.2
134.03757	0.8
145.05197	0.2
159.02950	0.4
161.04568	2.0
163.04031	4.6
163.06123	0.3
182.15677	0.2
193.05066	0.7
325.09311	2.9
326.09641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69165	0.6
51.79864	0.6
54.07880	0.6
57.03452	3.6
59.01376	4.6
68.99825	0.9
71.01390	9.5
71.54323	1.0
71.54693	0.7
72.99313	3.4
73.02991	0.9
73.25041	0.6
75.00875	6.9
82.74089	0.6
83.01381	0.7
84.02177	0.9
85.02966	12.4
87.00912	0.9
89.02475	1.9
97.02974	0.7
99.00888	7.6
103.05549	3.7
111.00890	0.9
119.05056	2.3
121.06551	0.6
129.01958	21.2
134.03758	1.3
141.01958	0.7
147.04536	100.0
148.04906	4.5
159.03055	3.1
177.04063	22.2
185.08440	0.6
193.05042	1.4
206.63087	0.7
278.41391	0.6
325.09341	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	325.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
57.03457	6.2
57.60322	0.8
59.01385	14.8
62.54051	0.9
65.98492	0.8
68.99850	0.8
69.03497	1.1
69.94669	2.3
71.01386	16.1
72.99325	3.9
73.02930	1.4
75.00877	30.1
75.01311	1.5
77.54376	0.9
83.01392	1.7
84.02173	1.6
85.02962	16.4
87.00889	11.4
89.02464	3.4
92.85687	0.9
96.96034	1.9
97.02966	1.2
98.20615	0.9
99.00906	6.0
101.02464	3.0
103.05570	2.2
106.06638	1.4
119.05035	2.3
129.01955	16.5
147.04535	78.9
148.04895	3.0
152.07246	1.3
155.01271	0.9
159.03043	2.2
160.04103	1.5
161.06079	4.3
167.06186	9.5
167.07478	1.5
177.04054	100.0
178.04416	5.5
195.05684	1.2
197.07280	1.9
222.06686	1.9
224.08372	2.8
252.07555	0.9
254.09357	4.3
264.07791	5.2
266.23233	0.8
267.06583	1.2
274.42215	1.0
282.08978	3.9
307.05963	1.2
325.09335	40.0
325.20154	1.2
326.08075	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	323.2229
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.09963	2.6
54.15316	2.3
55.51197	2.7
57.03450	2.9
59.00667	2.3
59.01391	24.4
61.98827	2.4
69.33868	20.3
71.01392	5.7
71.05019	10.0
73.02931	3.1
81.03452	4.5
83.05019	3.0
85.03005	3.3
85.06561	3.0
89.02446	3.0
95.05033	2.8
96.96011	7.6
97.06599	5.4
109.06564	3.5
113.02428	3.5
119.05016	9.5
119.08671	4.6
121.02907	4.5
121.10246	12.3
125.09711	11.3
135.00778	2.4
136.56252	2.5
137.09715	18.0
147.08218	3.2
149.09741	7.7
159.94142	2.4
171.10324	26.3
177.12782	4.9
185.11797	18.4
197.11848	2.9
217.16031	5.5
247.20520	2.6
265.18069	4.2
273.18567	11.4
291.19684	100.0
291.43137	3.0
291.61984	2.6
292.19989	11.1
305.17877	2.8
305.21179	43.2
306.21503	5.8
323.05640	5.5
323.09308	3.4
323.13074	15.0
323.18823	5.3
323.22278	62.6
324.05777	3.6
324.22580	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0355
Annotation	2-Hydroxyflemichapparin C
Peak:m/z	Relative Intensity
55.80390	0.5
56.30582	0.4
60.18592	0.4
69.96056	0.9
69.96459	1.7
75.81249	0.5
91.37341	0.5
93.49597	0.5
100.09435	0.4
101.39872	0.5
140.25273	0.5
145.02977	0.5
154.04308	0.9
169.02939	1.2
170.03754	1.2
174.03230	1.2
181.02922	0.7
182.03740	0.6
184.01672	0.9
185.02441	7.0
186.03192	0.8
189.01932	0.6
196.01660	1.9
197.02463	4.5
198.03236	7.9
200.01215	0.5
202.02655	0.6
209.02457	12.9
210.03201	5.8
213.01939	3.8
224.01016	0.6
225.01958	3.9
226.02742	12.6
227.03117	0.9
229.01434	1.6
232.21843	0.5
237.01921	2.1
237.05501	2.8
238.02705	4.8
238.06311	0.7
239.07120	2.0
242.02237	0.6
251.07190	1.7
252.00574	0.8
253.01486	5.6
253.08778	1.9
254.02216	8.3
255.02498	0.6
266.02222	8.5
267.02505	0.8
280.00095	1.0
281.00943	17.9
282.01718	26.3
283.02057	2.1
296.03314	1.9
297.04031	2.5
307.13318	0.6
309.00452	1.9
310.01212	100.0
311.01514	9.6
321.30103	0.5
325.03555	59.1
325.11203	1.3
325.14337	8.7
326.03946	6.4
326.14835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
58.00585	3.7
59.01385	100.0
60.01734	1.2
60.14424	1.0
70.83114	1.7
70.83429	1.1
71.01389	53.5
72.99315	3.4
83.01395	2.7
85.02961	9.4
87.00896	2.6
89.02454	59.8
90.02802	1.4
93.49485	1.0
95.00837	1.0
95.01412	3.4
101.02455	34.6
113.02466	23.8
119.03510	28.2
131.03497	3.1
143.03535	2.1
149.04546	2.0
161.04637	1.7
161.08148	1.2
179.05612	2.8
204.44954	1.0
264.26242	1.0
323.13501	90.9
324.13910	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	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	2.5
59.01386	100.0
70.67204	1.0
70.72780	3.0
71.01390	52.2
71.01785	2.5
72.15811	0.9
72.99310	3.3
73.02960	1.3
83.01393	1.7
85.02959	9.1
87.00890	1.1
89.02458	49.9
95.01392	4.4
101.02451	34.5
102.88995	1.0
113.01718	1.8
113.02463	19.2
114.94154	1.0
119.03509	24.2
131.03499	2.6
134.04631	1.0
143.03502	2.2
149.04588	1.9
161.04608	2.0
179.05589	3.3
195.61545	1.1
238.98407	1.0
323.13504	93.6
324.13818	4.6
337.49832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1868
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.01888	5.7
57.03456	15.9
58.08787	2.9
59.01158	2.8
59.01389	28.8
66.99591	2.9
69.03452	6.0
69.49461	3.3
71.01386	8.9
71.05019	30.0
71.54456	3.5
73.02950	7.4
80.02679	4.2
81.03460	15.8
83.01399	15.6
83.05030	43.8
84.02178	20.4
85.02953	7.1
85.06575	5.0
93.03471	5.1
95.05041	79.3
96.05395	3.4
96.96014	8.8
97.02998	4.4
97.06603	19.9
99.04494	5.3
107.05037	4.2
109.02978	3.3
109.06580	8.4
111.04537	6.8
113.06107	66.0
119.05047	9.9
121.02974	6.0
121.06567	7.6
123.04574	4.2
123.08161	7.8
125.09728	26.6
133.02937	3.4
133.06635	4.0
135.08173	21.8
136.05396	3.4
137.06105	3.7
149.06093	3.7
149.09753	3.5
151.07625	10.1
153.09245	3.5
161.06067	5.3
163.11279	10.8
165.12770	7.3
171.10246	17.1
181.12383	8.6
185.11899	21.3
186.11981	4.1
189.12845	6.4
191.10703	5.9
203.14456	7.0
207.10220	8.1
209.11842	100.0
210.12206	5.5
211.13472	5.2
212.41724	3.1
223.07634	4.4
223.13295	4.2
225.11348	6.2
231.13918	9.7
237.14948	28.6
243.17462	11.4
247.13417	6.5
249.15042	6.9
259.16949	5.0
261.18613	5.6
265.14505	12.4
287.16666	24.8
305.17667	34.4
323.05670	9.4
323.09366	4.4
323.12808	6.0
323.18790	71.9
323.22382	3.5
324.18994	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	323.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35365	0.4
59.01383	2.2
69.47245	2.5
71.01408	0.8
81.99773	0.4
91.01903	37.5
92.02244	1.4
92.05038	0.4
96.96052	0.8
97.14645	0.4
119.05041	0.7
132.05823	44.0
133.06126	2.2
135.00896	55.9
136.01250	2.7
153.01945	28.2
154.02280	1.1
164.04808	21.7
165.05099	1.3
187.11295	100.0
188.11623	6.9
213.09096	0.5
218.75072	0.4
243.17691	0.4
279.19730	0.4
323.12903	69.1
324.13190	8.1
340.49188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1292
Annotation	6-Carboxy-5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
59.01373	0.9
71.02451	0.8
71.11845	0.4
71.56757	0.4
74.98418	0.5
79.05539	8.7
87.93869	0.4
91.05532	0.8
99.35934	0.5
107.05041	29.6
108.05343	0.9
119.05070	0.8
129.07095	1.2
131.08691	2.1
157.06609	0.8
159.04471	0.5
168.36690	0.5
170.07382	3.7
170.86526	0.4
171.08099	0.9
173.06100	5.2
185.06125	0.7
187.07697	0.7
188.08447	11.4
202.06470	0.6
203.07117	1.5
220.07423	1.4
235.11168	0.5
235.14992	0.6
237.12878	0.5
249.09436	0.5
249.13310	0.5
261.12869	2.2
263.10776	3.4
264.11218	0.5
279.13919	70.9
280.14255	8.2
305.11838	8.0
306.12222	0.8
323.12909	100.0
324.13275	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	323.1286
Annotation	Bavachin
Peak:m/z	Relative Intensity
57.03448	0.9
59.01388	5.4
61.98833	1.0
65.00346	0.5
68.02833	0.4
71.01387	1.9
71.05020	1.1
73.02979	0.4
81.03468	0.6
83.01414	0.8
83.05038	0.7
85.02956	0.7
87.00877	0.6
89.02486	0.4
91.01906	0.6
93.03478	1.4
95.05040	1.4
96.96026	1.2
97.06591	0.6
98.19895	1.4
101.02440	0.5
106.14445	0.4
107.05046	0.6
108.02176	0.8
108.22602	0.5
109.06595	0.6
113.02473	1.1
115.07729	0.4
116.92840	0.4
119.05041	100.0
120.05354	4.3
120.21612	0.4
121.02952	1.6
121.06652	0.5
123.04543	0.7
123.08191	0.5
125.09724	0.9
135.00902	0.5
135.08173	0.5
143.05067	0.6
144.05884	1.0
145.02945	0.5
157.06621	2.7
159.08163	5.8
165.01901	0.8
165.12817	0.9
171.10298	0.6
175.07735	0.7
185.11876	0.8
187.03984	0.6
199.09767	2.4
199.13467	1.8
201.05585	0.7
203.07162	19.9
203.14378	0.6
204.07484	1.3
209.11868	3.6
215.12888	0.5
221.08197	19.4
222.08546	1.1
233.11955	0.7
237.15019	1.2
243.17570	0.9
261.18625	0.8
263.11563	0.6
279.19446	0.5
281.11670	0.5
287.16565	1.1
305.17657	3.0
323.05563	1.9
323.09668	1.4
323.12891	40.6
323.18484	4.1
323.22153	0.9
324.13266	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	323.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68428	1.6
56.75764	2.0
59.01382	27.7
64.36499	2.3
69.03456	6.2
69.74692	7.3
71.01390	27.2
73.02972	2.8
76.50585	2.2
80.96529	2.6
83.01392	7.6
85.02959	7.1
87.00883	4.6
89.02462	8.5
93.03468	35.2
96.96033	4.0
99.00891	56.5
100.01257	1.8
101.02447	8.4
108.02163	3.8
111.00893	5.9
112.04092	4.3
113.02430	6.1
117.03487	26.8
119.03487	5.3
119.05038	40.6
121.02921	2.4
121.06546	2.9
123.04527	2.3
125.02458	4.0
129.01962	2.9
130.04239	8.2
131.05042	15.5
132.05829	12.1
133.02959	18.9
133.06613	12.7
134.03790	2.5
135.04500	5.7
137.02493	2.7
143.05052	12.1
145.02968	45.9
145.06596	29.2
147.04546	100.0
147.08174	2.4
148.04890	4.3
149.06111	15.1
156.05829	3.9
157.06595	9.3
158.03763	4.9
159.03055	3.5
159.04500	8.3
160.05309	13.4
161.02415	2.7
161.06088	18.0
163.04059	18.8
163.07635	5.4
165.05487	3.4
169.06578	21.5
170.07069	2.5
171.04526	6.1
172.05258	4.1
173.06102	26.9
175.04025	32.3
175.07634	10.0
176.35223	1.7
177.05559	19.3
187.04070	3.7
187.05962	3.1
187.07671	62.9
188.08043	4.2
189.05589	59.5
190.05904	2.7
191.07153	20.1
193.05072	5.4
199.07707	5.1
201.05595	33.5
203.03564	23.0
205.05084	31.4
206.05510	2.0
217.05130	4.4
219.06659	46.8
220.06966	2.1
221.04582	42.7
231.06648	4.2
235.06155	9.9
235.09827	2.4
261.07654	5.5
263.05621	51.4
263.08420	2.8
264.05984	3.8
279.08826	8.0
283.54938	1.8
300.07794	2.0
323.04144	2.6
323.07843	42.1
323.13626	9.9
324.07977	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40812	2.6
58.88402	2.3
59.01381	28.2
61.90250	2.4
69.03453	8.1
70.69444	5.6
70.69843	4.7
71.01383	21.5
73.14423	2.6
83.01398	4.2
85.02982	3.3
87.00879	7.0
89.02465	9.9
93.03474	34.0
93.12459	2.7
99.00890	54.4
100.01266	2.5
101.02465	5.4
108.02160	3.8
110.77368	2.6
111.00905	2.9
113.02443	5.9
117.03474	18.9
119.05038	31.9
130.04221	6.1
131.05017	12.6
132.05841	12.1
133.02963	14.4
133.06602	10.9
135.04549	4.1
137.02470	6.3
143.05043	17.2
145.02956	17.0
145.06599	31.8
146.03719	2.9
147.04543	100.0
148.04828	5.3
149.06140	12.4
156.05844	6.3
157.06595	11.8
158.03719	4.6
159.03084	2.6
159.04510	10.7
160.05312	14.5
161.02489	4.2
161.06056	13.4
163.04010	5.8
163.07639	9.4
165.05585	2.9
169.06616	23.0
171.04526	7.6
173.06094	27.6
174.06470	2.8
175.04034	25.6
175.07639	10.0
175.34837	2.5
177.05615	17.5
187.04060	4.1
187.05968	3.4
187.07664	62.4
188.07877	5.3
189.05566	51.1
190.05898	3.4
191.07123	20.5
192.07704	3.4
193.05103	4.6
199.07741	4.8
201.05580	35.1
203.03542	22.4
205.05067	30.2
217.04951	4.2
219.06644	40.9
220.06989	4.6
221.04562	39.2
231.06801	3.2
235.06171	6.0
261.07651	4.0
263.05600	55.2
264.00177	2.7
279.08737	11.1
323.07861	33.0
323.11377	2.6
323.13431	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	321.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01468	3.1
57.03447	6.7
59.01381	20.3
69.03478	10.3
71.01373	6.4
71.05034	12.3
71.55029	5.6
73.02946	4.3
80.02756	3.7
81.03464	10.7
83.05049	5.6
88.00375	3.4
93.03467	10.0
95.05036	68.4
96.96035	7.8
97.06631	5.6
101.02449	4.8
103.50957	3.1
107.05042	9.4
108.02209	4.3
109.06606	12.9
111.04536	13.4
118.15242	3.4
121.02961	12.4
121.06608	7.0
123.04541	7.6
123.08177	9.3
125.09734	64.6
133.02902	3.8
135.04562	5.9
149.06097	9.5
151.07666	100.0
165.25868	3.2
167.07181	6.9
171.10301	16.6
185.11833	17.1
195.04482	6.0
205.12335	6.1
217.16090	4.0
223.03996	10.2
223.13449	10.1
235.03954	7.2
237.05617	4.2
241.08655	4.3
247.13390	5.9
249.05652	7.4
251.03523	51.3
252.04028	4.9
259.17090	5.2
261.18503	3.3
263.03491	6.0
263.07227	7.1
263.12921	4.0
265.14478	26.6
266.05743	6.8
266.92590	7.0
277.08719	13.0
277.17984	4.1
278.05762	5.3
279.16196	5.0
291.06604	13.3
299.81757	3.7
303.15964	16.5
305.08170	13.6
306.09015	50.5
306.14667	3.8
307.09088	5.6
321.07755	6.3
321.11322	84.0
321.17090	47.2
321.20816	10.1
322.11719	6.5
322.17096	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	322.2027
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03431	0.4
58.02983	2.1
58.85911	0.2
59.01392	1.8
70.55479	0.5
70.55846	0.4
81.03462	0.4
83.05029	0.5
95.05038	1.2
96.95991	0.3
97.06590	0.4
98.20570	0.3
101.02468	0.4
109.06618	0.7
128.10835	6.6
130.08754	100.0
131.09108	3.5
139.52591	0.2
140.36813	0.3
146.42555	0.2
165.12888	0.9
172.09756	0.6
190.04395	0.3
209.11752	0.4
322.20270	29.7
323.05655	0.3
323.09436	0.5
323.15390	0.3
323.20798	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	323.033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.1
62.04739	1.9
65.00332	11.4
67.01872	2.2
71.01393	4.9
79.98851	2.1
83.01379	4.8
85.08377	1.8
96.96018	2.4
101.02455	3.8
106.25107	1.8
107.01402	16.9
125.02488	2.6
135.04538	90.6
136.04868	3.1
151.00378	100.0
152.00728	4.4
234.37357	2.4
240.80658	2.0
251.94812	2.1
265.04947	3.0
287.05618	76.0
288.06049	5.5
323.05804	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	321.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01385	100.0
60.01727	0.9
62.70460	0.5
67.86628	0.5
69.51746	3.8
71.01410	0.8
82.80049	0.5
97.03002	0.6
99.04535	0.7
107.05008	0.9
109.03036	1.0
109.06600	0.9
111.04517	1.0
121.06631	1.0
122.03763	0.9
123.04608	0.5
123.08165	0.8
124.05338	1.0
133.06621	8.0
135.08232	0.7
137.06097	0.7
139.07666	16.8
140.08015	0.9
147.08173	0.9
149.06125	2.3
151.07695	0.9
157.10236	0.6
169.08762	2.2
181.08746	4.2
187.11325	2.1
199.11365	1.0
202.10016	0.7
205.12366	3.3
210.08960	3.9
211.09692	1.2
217.12393	1.8
235.13486	1.3
242.08133	0.6
257.63202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1708
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
50.17663	1.1
57.03458	6.1
59.01393	6.7
64.18475	1.0
65.03966	3.9
68.00157	1.1
71.01369	1.2
71.05028	12.6
71.54426	1.7
72.99296	0.9
74.86057	1.0
79.05545	6.3
81.03462	1.2
83.05025	3.4
89.35245	1.0
93.03477	1.2
95.05009	5.1
96.95996	2.0
97.06590	6.6
103.48751	0.8
106.04242	4.4
106.69093	0.9
107.05055	5.6
109.02934	1.1
109.06595	2.7
111.08183	2.6
119.04976	1.5
120.05792	2.5
121.02992	2.5
121.06618	6.1
123.08163	7.1
133.02960	1.8
133.06607	3.8
133.47108	0.9
135.08180	31.0
135.09215	1.5
137.06032	1.2
137.09760	4.8
139.07707	2.1
141.09212	4.5
151.07593	1.5
155.10748	1.8
161.02563	1.3
162.06831	2.2
163.04024	1.3
191.10872	1.5
217.12364	2.1
219.13991	6.8
223.09834	2.4
237.11397	1.3
246.12314	1.1
257.15482	1.8
259.17041	2.2
265.14410	5.6
275.16537	9.4
279.15988	1.2
303.16010	4.0
321.04181	2.8
321.07736	4.0
321.17078	100.0
322.04709	1.2
322.17422	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	321.1344
Annotation	Anthemolide C
Peak:m/z	Relative Intensity
50.24054	0.7
57.03452	1.2
59.01387	100.0
60.01726	1.1
69.03487	0.8
71.01417	1.1
71.05018	1.0
71.31949	1.1
75.77584	0.7
83.05042	1.0
95.01405	0.7
95.05012	1.1
97.02965	9.1
97.06616	0.9
109.02980	2.6
109.06622	2.7
110.40163	0.6
111.04568	2.0
115.70408	0.6
119.08705	1.0
121.06606	3.5
122.03748	11.8
123.04561	1.1
123.08134	0.9
124.05353	0.8
133.06609	1.2
135.08209	2.4
136.05385	0.9
137.06091	8.3
139.07683	6.9
147.08183	0.9
149.06178	1.1
154.20580	0.6
157.10300	1.6
161.09717	0.7
163.07683	2.6
163.11372	1.3
165.05598	0.7
169.10229	0.7
171.08202	1.0
172.08990	1.1
175.11411	1.4
177.12888	2.5
181.08821	1.1
187.11293	11.6
187.12875	0.9
189.09245	1.1
190.10022	5.5
199.11293	3.8
202.10147	1.4
205.12352	33.8
206.12799	2.8
209.22215	0.6
217.12354	7.2
231.10370	1.0
235.13414	7.6
249.11426	1.1
261.11307	6.9
268.54138	0.6
277.14563	3.4
279.12329	4.1
321.10004	1.4
321.13309	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42217	2.1
55.01856	2.1
57.03458	6.8
59.01385	72.5
69.03430	2.6
71.01396	18.1
71.55348	3.1
73.02956	11.8
74.99109	3.2
80.05072	3.2
80.96523	2.6
81.03482	3.4
82.03002	13.8
82.06625	7.0
83.01395	3.3
83.05026	2.7
84.04553	8.9
85.02963	9.9
86.02471	3.2
87.00927	2.6
87.04578	2.6
89.02474	12.0
92.05067	37.2
92.05592	3.2
94.03010	3.1
95.05060	4.2
96.04573	7.7
96.96017	3.6
97.01698	10.1
99.08144	3.8
100.08813	2.2
101.02444	16.4
107.03775	2.9
110.02579	2.4
110.06126	76.6
111.06563	2.5
112.04055	5.3
113.02441	5.5
113.09711	3.6
122.06129	63.2
123.03255	2.2
124.04076	5.2
129.09229	4.2
131.09087	2.5
136.04060	54.3
136.07689	8.9
138.05646	2.5
143.10799	8.6
143.20735	2.6
146.06169	2.8
151.02879	2.5
154.05107	12.4
159.10298	21.0
161.04581	4.5
171.10249	3.1
173.04730	2.4
173.08170	4.7
173.10109	2.6
174.40793	2.0
176.07202	3.1
181.03793	11.1
189.11342	100.0
190.05110	4.3
190.11720	7.9
203.11752	27.8
204.06438	2.5
215.11935	7.8
216.10249	4.0
229.06232	16.6
243.07762	2.7
244.08298	3.0
247.10902	45.6
248.11206	3.6
259.10895	87.4
260.11179	4.7
277.11981	8.5
279.14514	6.3
303.09824	5.9
321.10947	93.1
321.15378	10.6
321.18967	3.5
321.22913	2.8
322.10974	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	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
52.98239	2.1
55.01868	6.0
57.03449	10.6
58.00584	3.6
59.01386	100.0
62.48402	2.3
71.01385	87.8
71.05021	3.2
71.09619	2.5
71.09958	4.1
72.99310	7.2
73.02963	29.9
75.00887	2.5
80.96478	2.8
83.01393	9.3
83.05042	3.4
85.02952	33.4
87.00884	8.6
87.04531	30.5
89.02450	32.4
95.01412	7.5
99.00901	11.7
99.04499	2.5
101.01799	4.0
101.02450	55.7
109.02993	2.3
109.20838	2.3
113.02473	28.6
113.06020	2.7
119.03487	16.2
127.07684	4.1
129.01958	2.8
131.03542	3.0
135.03000	4.4
138.05568	3.8
139.07651	3.4
139.11307	7.1
143.03494	4.6
143.07097	3.6
147.03065	3.1
155.60406	2.6
157.08711	8.2
158.06088	5.1
159.03062	3.4
161.04570	10.6
164.03592	3.2
164.99323	2.1
169.08727	2.6
171.10265	34.5
186.71930	2.7
187.07310	2.6
187.09746	26.2
201.05571	5.0
201.11629	30.2
231.06680	3.4
235.19746	2.4
245.09325	5.6
275.10413	5.3
275.14941	6.1
319.04938	4.7
319.09164	7.3
319.13980	87.5
319.17236	3.2
320.14331	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	319.1916
Annotation	ent-17-Nor-3,8-dioxo-13Z-labden-15-oic acid
Peak:m/z	Relative Intensity
53.71263	0.9
59.01390	1.0
71.55307	0.9
77.24027	0.8
135.04529	1.6
136.28705	0.8
205.12338	81.3
206.12650	5.8
215.48332	0.9
217.12367	19.8
218.12775	1.1
219.13893	1.2
245.15424	1.5
256.23398	0.8
261.11328	1.1
275.20175	54.5
276.20462	4.7
319.19156	100.0
320.19513	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42217	2.1
55.01856	2.1
57.03458	6.8
59.01385	72.5
69.03430	2.6
71.01396	18.1
71.55348	3.1
73.02956	11.8
74.99109	3.2
80.05072	3.2
80.96523	2.6
81.03482	3.4
82.03002	13.8
82.06625	7.0
83.01395	3.3
83.05026	2.7
84.04553	8.9
85.02963	9.9
86.02471	3.2
87.00927	2.6
87.04578	2.6
89.02474	12.0
92.05067	37.2
92.05592	3.2
94.03010	3.1
95.05060	4.2
96.04573	7.7
96.96017	3.6
97.01698	10.1
99.08144	3.8
100.08813	2.2
101.02444	16.4
107.03775	2.9
110.02579	2.4
110.06126	76.6
111.06563	2.5
112.04055	5.3
113.02441	5.5
113.09711	3.6
122.06129	63.2
123.03255	2.2
124.04076	5.2
129.09229	4.2
131.09087	2.5
136.04060	54.3
136.07689	8.9
138.05646	2.5
143.10799	8.6
143.20735	2.6
146.06169	2.8
151.02879	2.5
154.05107	12.4
159.10298	21.0
161.04581	4.5
171.10249	3.1
173.04730	2.4
173.08170	4.7
173.10109	2.6
174.40793	2.0
176.07202	3.1
181.03793	11.1
189.11342	100.0
190.05110	4.3
190.11720	7.9
203.11752	27.8
204.06438	2.5
215.11935	7.8
216.10249	4.0
229.06232	16.6
243.07762	2.7
244.08298	3.0
247.10902	45.6
248.11206	3.6
259.10895	87.4
260.11179	4.7
277.11981	8.5
279.14514	6.3
303.09824	5.9
321.10947	93.1
321.15378	10.6
321.18967	3.5
321.22913	2.8
322.10974	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	317.1762
Annotation	9beta-Isobutyryloxy costunolide
Peak:m/z	Relative Intensity
70.54902	2.9
70.55225	1.7
83.01402	2.4
86.15222	1.4
102.48662	1.4
109.02983	2.0
140.58943	1.9
163.00444	1.9
167.52422	1.4
203.10789	79.8
204.11079	6.1
215.10768	20.6
216.11203	1.6
218.74081	1.4
250.12204	1.7
266.71375	1.5
273.18622	58.5
274.18964	4.5
292.44208	1.5
317.17596	100.0
318.17984	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	319.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70299	0.4
57.03421	0.6
59.01383	2.1
60.25738	0.4
65.99844	1.0
69.20754	4.6
71.01378	1.7
73.02935	0.9
82.02544	0.7
82.02988	6.0
85.02951	0.5
87.04523	0.5
98.20720	0.9
99.00853	0.6
101.02467	0.8
108.00942	0.5
110.02496	4.7
119.80971	0.5
122.06136	4.3
135.05609	0.9
136.00400	1.4
136.07655	0.8
147.02991	1.6
152.03545	54.1
153.03870	1.7
158.06081	0.9
164.03511	1.1
164.07182	0.8
171.10292	4.0
176.03569	0.5
177.03027	2.4
179.04585	0.5
188.03523	1.5
189.04364	2.3
192.06532	0.6
201.11328	1.7
202.05051	2.8
203.04396	0.8
203.06024	0.8
204.06886	2.5
205.06172	1.7
216.06653	0.7
219.07840	0.5
221.03360	0.7
231.04068	4.0
232.04895	29.6
233.05202	1.7
233.09358	0.7
243.04156	2.1
244.04915	5.3
245.05510	0.8
246.06451	1.3
247.07236	100.0
248.07635	6.3
257.09323	1.6
258.07742	0.8
259.07208	4.6
260.07736	1.1
275.10437	3.9
277.08380	2.1
319.09360	72.5
319.21320	1.7
320.09604	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	319.14
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01878	1.3
57.03445	2.3
58.00584	1.4
59.01385	49.5
69.25101	5.1
69.25513	2.2
71.01012	1.7
71.01388	24.6
71.05020	0.9
72.99319	2.0
73.02953	2.1
83.01395	2.5
84.02164	1.8
85.02957	6.5
86.77882	0.8
87.00885	2.5
89.02453	17.1
95.01378	2.3
98.20668	1.3
101.02444	15.1
111.08163	25.0
112.04031	1.8
112.08482	1.3
113.02441	7.9
119.03519	7.0
120.04658	0.8
122.06180	0.8
123.03282	2.3
124.04033	3.0
136.07680	8.6
138.05623	13.9
139.06004	0.8
139.07664	7.1
141.09219	1.3
153.09230	1.8
157.08708	76.6
158.09013	3.9
161.04538	1.1
171.10246	1.7
179.05608	1.2
180.03015	1.4
182.04610	1.3
184.06143	2.9
199.09778	2.9
253.98404	0.9
257.12958	1.2
281.98523	0.9
319.14001	100.0
319.20834	5.6
320.14349	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.14
Annotation	Octanoylglucuronide
Peak:m/z	Relative Intensity
50.31949	0.3
57.03454	2.3
58.56577	0.5
59.01381	1.5
60.77468	0.4
69.03506	0.4
71.01405	0.9
71.55520	0.6
73.02960	1.4
83.05037	0.5
90.59770	0.4
95.05104	0.6
96.96030	0.4
97.06594	7.9
101.02382	0.4
102.00307	0.4
103.12099	0.4
123.08169	5.6
125.09736	69.4
126.10079	3.5
131.03484	0.6
143.10796	2.0
169.08780	1.9
171.10277	1.0
187.09764	100.0
188.10124	4.4
201.72060	0.4
254.18333	0.5
275.17703	0.5
292.53085	0.5
300.90170	0.5
319.14005	7.4
319.21298	3.9
320.14334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1397
Annotation	Pestalotiopsone C
Peak:m/z	Relative Intensity
59.01372	1.1
70.85984	1.9
93.03460	0.9
107.05032	3.6
108.02187	1.6
109.02946	0.9
117.88757	1.1
121.02979	1.1
122.03754	68.8
123.04067	3.0
136.01671	2.0
137.02449	1.7
145.06596	1.4
149.02457	17.6
150.03242	58.0
151.04019	12.7
159.04585	1.4
161.02463	27.8
162.02831	1.3
163.00391	1.7
163.02919	0.9
163.04002	4.7
165.01857	1.5
165.05583	2.7
175.00333	0.9
175.03986	1.5
176.01169	2.4
182.02240	16.6
189.05550	4.9
190.06299	1.4
201.05556	1.2
203.07169	1.9
217.05046	1.7
230.05901	2.8
273.14984	100.0
274.15280	9.1
299.12924	32.8
300.13239	3.3
317.13977	73.1
317.17377	4.4
318.14279	7.1
339.35513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93438	0.6
55.79158	0.7
58.59829	0.7
59.01379	1.7
71.01377	1.2
71.55346	1.2
73.02963	1.1
83.05048	0.8
89.02407	0.7
104.05090	2.2
108.02186	2.1
109.02973	1.6
118.02972	0.8
119.09198	0.7
120.04515	0.8
122.06135	4.8
123.00851	1.2
123.04546	1.4
123.08183	2.6
124.01666	1.0
124.07699	5.5
125.88134	0.7
136.01665	2.8
136.07687	13.1
136.08652	0.9
137.08022	1.0
141.09232	29.9
142.09566	0.8
144.04616	0.7
149.04640	1.6
150.05650	1.8
153.91534	0.7
155.10800	1.2
164.03557	1.9
181.03831	0.9
185.08311	12.2
185.11833	5.0
186.08534	0.9
190.85893	0.7
196.07704	2.0
197.07346	0.7
198.04335	1.2
199.04126	1.4
203.08290	1.8
212.10939	1.6
223.04028	0.8
223.61076	0.7
225.06711	3.2
226.07416	2.0
227.03564	6.0
227.08272	9.3
227.11926	1.1
230.11894	0.9
237.10384	1.4
239.08292	2.7
240.09006	6.5
242.05882	2.2
243.11392	5.3
246.08345	0.7
251.03458	0.9
254.97227	0.9
255.11406	28.3
256.11765	1.6
273.12476	100.0
274.12793	9.1
284.06961	2.9
287.09265	2.4
299.09192	3.7
317.06647	1.9
317.11417	10.1
317.15799	1.7
317.19522	8.1
318.11438	0.9
318.20041	1.1
339.50098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.7
59.01379	2.3
63.04465	0.4
69.82656	0.9
69.83067	1.5
71.01397	1.4
73.02958	0.9
74.02487	0.9
79.05558	0.7
81.03470	1.6
85.02978	0.4
89.02458	1.0
93.76630	0.4
95.05019	1.0
99.04519	1.0
101.02481	0.5
107.05072	0.6
111.04606	0.5
111.08176	0.9
113.02472	0.5
115.08728	0.5
121.06587	0.7
122.06126	1.2
123.08176	14.3
124.08505	0.6
125.02505	0.8
125.06103	1.1
131.03499	0.5
131.59309	0.5
137.09830	0.5
139.07658	0.7
141.09233	24.6
142.09570	1.4
148.04008	0.9
149.04538	0.6
150.05626	8.0
167.07117	1.0
169.08728	1.4
179.03397	0.5
185.08205	100.0
186.08545	4.6
199.09752	2.3
227.08351	0.5
228.00583	0.4
230.11879	1.1
231.11156	0.5
233.82823	0.4
239.46260	0.5
273.12524	6.6
274.12848	0.5
300.05203	10.5
317.06857	0.8
317.11899	4.1
317.19629	0.7
318.06238	7.7
318.11816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19372	0.4
69.36912	1.1
69.37322	3.0
75.92665	0.5
92.39033	0.5
95.01404	1.1
107.01418	0.6
108.02203	0.7
109.02949	3.6
121.02999	1.0
123.00880	3.2
124.01682	9.8
125.02463	1.9
135.04491	0.8
136.01674	22.7
137.02477	8.0
138.03209	1.2
139.04039	7.5
149.02451	9.2
150.03242	100.0
151.00410	0.9
151.04015	8.6
161.02478	0.9
162.03221	0.7
163.04025	2.0
165.05589	64.8
166.05905	2.8
174.96338	0.6
177.01897	0.6
177.05594	2.2
184.03801	0.8
213.05602	0.5
216.07813	0.7
231.06714	0.7
241.05119	1.7
243.06349	0.6
269.04529	3.0
270.05334	2.4
271.05911	0.7
272.03241	1.7
285.07791	1.1
287.05646	9.2
288.05978	0.9
302.08020	17.6
303.08426	1.2
317.06580	2.3
317.10315	42.5
318.10641	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	317.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01902	3.0
68.85144	1.0
69.03453	2.5
69.23861	11.9
70.09130	1.0
80.05032	1.2
81.03471	10.2
83.01409	2.3
84.02183	13.7
87.04508	2.4
87.79140	1.2
88.04060	2.4
93.03486	1.7
95.01393	6.0
97.02954	8.0
99.04541	8.5
108.02173	12.8
109.02981	8.5
111.04523	5.0
112.01647	5.8
113.02457	2.1
121.02973	7.0
122.03769	10.5
123.00922	6.8
123.04531	4.0
124.01680	27.8
125.02484	22.5
133.02924	3.4
134.03741	8.9
136.01700	7.5
136.07623	1.6
137.02489	9.1
137.06123	6.8
138.03262	11.7
139.04028	9.1
140.01183	75.0
141.01976	51.1
141.05597	5.5
146.03734	4.4
147.04533	3.5
148.01720	6.6
149.06145	12.4
150.03186	4.4
150.06352	1.5
151.00343	2.1
151.04007	4.5
152.01175	9.7
153.01959	32.2
154.02675	4.2
155.03534	60.6
155.95587	1.4
156.03812	3.8
160.01788	1.3
161.02414	6.2
162.03244	2.3
163.03963	2.7
165.05589	11.3
167.03526	18.3
168.04288	7.0
169.06567	1.6
171.04556	2.3
171.08096	1.3
173.06113	2.4
174.03236	3.5
177.05574	14.9
183.04489	2.4
185.06084	2.7
186.03275	1.9
187.04022	2.3
187.07738	1.7
197.06108	6.4
198.03241	4.1
198.06781	3.0
199.04007	3.5
201.05527	2.7
211.04008	2.3
213.05563	13.6
214.02710	3.3
214.06290	3.9
215.07266	6.4
223.04147	2.7
224.04700	3.0
225.05605	5.9
226.02618	1.4
226.06409	13.4
227.03534	2.9
228.04187	2.0
229.04900	2.0
229.08504	1.7
237.05560	3.4
240.04224	2.5
241.05090	17.4
241.08746	4.5
242.05849	9.2
243.06593	11.3
251.03423	2.6
252.04283	7.4
253.04968	1.4
254.02132	1.9
254.05843	2.7
255.06573	2.9
256.07556	2.3
257.08234	8.3
258.08963	16.2
267.06619	5.8
268.03815	1.4
269.04572	45.4
270.05322	32.4
271.05579	1.8
273.11282	2.1
274.08441	3.8
283.06171	1.5
284.06927	100.0
285.07620	47.1
286.08002	3.9
289.10721	1.5
299.09299	18.2
300.09610	2.3
302.08041	7.2
317.10312	21.1
318.10739	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	317.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89887	0.5
58.65664	0.6
70.52385	0.5
71.03898	0.5
71.10240	1.3
91.68374	0.6
95.01395	0.8
109.03010	3.1
109.45506	0.5
121.02983	0.8
123.00897	2.9
124.01680	9.7
125.02451	2.4
135.04500	0.6
136.01678	21.0
137.02475	10.0
138.03264	0.8
139.04034	5.8
149.02460	10.4
149.03604	0.7
150.03239	100.0
151.00395	0.8
151.04004	9.3
152.04759	0.6
161.02484	0.9
162.03194	1.2
163.04039	2.2
164.04826	1.0
165.05585	65.9
165.98032	0.5
166.05959	3.3
177.05585	1.5
184.03717	0.9
197.83412	0.6
203.07045	0.6
213.05603	0.8
230.05614	0.6
241.05128	2.3
269.04575	3.0
270.05203	1.0
272.03363	1.6
285.07620	1.1
287.05649	8.9
287.08688	1.0
302.07993	20.9
303.08310	1.1
313.57986	0.7
317.06659	1.6
317.10315	45.1
318.10718	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	317.0668
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
53.48371	0.6
56.13461	0.7
57.03453	15.6
59.01382	1.1
62.20026	0.6
63.02394	3.6
65.00327	6.6
69.03473	0.8
69.66325	3.5
71.01378	0.8
79.40164	0.6
81.03456	1.6
81.10997	0.7
83.01398	7.2
91.17566	0.7
95.01394	7.1
99.00896	1.1
107.01392	4.3
108.02230	0.8
109.02951	1.6
111.00917	1.7
122.03763	2.7
123.00896	4.9
124.01691	13.8
125.02459	100.0
126.02800	2.6
135.00864	0.8
136.01746	0.8
137.02522	0.8
139.00391	2.9
146.03769	1.5
148.01656	0.9
148.46964	0.6
149.02464	5.0
150.03259	2.0
151.00398	14.1
152.01167	26.8
153.01848	2.8
153.05605	0.8
153.15080	0.6
163.04024	0.9
165.05495	0.8
172.05309	0.8
178.99878	11.8
181.12357	0.7
185.11852	2.6
186.06911	1.2
187.04021	2.3
188.04817	2.8
192.04277	8.7
199.13452	1.9
201.05438	0.8
207.06613	6.8
207.10204	1.0
213.05539	1.5
214.06396	1.5
215.03481	1.8
216.04309	1.8
225.11371	1.9
229.05092	1.1
229.08720	1.4
230.05885	3.3
231.06609	6.8
243.12386	2.1
245.08208	1.2
249.07687	1.4
256.03751	1.5
257.04636	0.9
258.05441	3.5
269.04657	0.8
273.07715	10.6
274.04840	4.1
274.07840	1.1
284.03229	0.9
289.07217	62.1
290.07425	4.0
299.05682	3.0
317.06674	55.9
317.16046	1.9
317.19708	1.5
318.07019	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	317.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.3
64.74244	0.6
65.00346	0.9
69.86668	1.8
69.87076	1.8
72.19701	0.6
74.98129	0.7
90.43937	0.7
91.01878	0.7
93.03491	1.4
95.01427	1.0
96.96033	0.9
100.72971	0.6
107.61017	0.7
108.02191	0.8
109.02952	1.3
121.02946	1.5
123.00900	29.3
123.04526	1.4
124.01678	100.0
125.02064	2.5
139.04027	97.3
140.04367	4.0
149.02504	0.8
149.06227	0.7
151.00374	2.6
152.01144	2.2
153.01897	0.9
161.02364	1.0
163.00400	2.4
178.99786	0.8
190.99892	1.0
195.08154	0.9
212.08371	2.5
227.10844	4.1
237.09108	1.5
267.06601	5.3
284.03229	1.3
285.07632	5.0
299.05640	1.2
299.09369	1.3
317.03088	1.7
317.06607	1.4
317.10541	1.7
317.13968	3.4
317.17505	1.4
317.21124	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	316.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18084	0.6
57.62428	0.5
57.93129	0.6
58.76273	0.6
59.01382	13.7
62.58520	0.5
69.36721	3.0
69.37144	2.0
70.02962	1.0
71.01389	6.0
84.04546	2.8
94.02981	1.5
97.01711	1.0
110.02491	1.2
112.04052	34.3
122.06117	3.3
124.04051	31.5
125.02466	0.7
140.07191	14.8
149.04552	1.2
153.05539	1.2
166.05107	2.3
182.57359	0.6
184.06152	100.0
185.06494	4.2
222.41248	0.6
269.10608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29160	0.3
59.01388	0.5
63.96217	0.6
69.03432	0.4
70.39885	0.8
71.01394	5.7
73.02944	1.0
74.26791	0.3
78.98598	3.4
79.95292	0.5
79.95741	6.3
79.96207	0.4
80.96525	51.9
81.03448	0.7
85.02945	2.5
87.00889	1.9
94.98095	11.7
96.95984	0.6
97.02956	1.0
101.02446	1.7
106.98106	2.8
113.02467	0.4
122.97595	2.1
125.02461	2.5
127.04067	0.6
134.97601	3.8
136.99135	1.0
144.68460	0.3
148.99139	4.7
152.98642	4.9
164.98636	9.2
167.00174	0.6
174.00381	0.3
176.41745	0.3
179.00159	0.3
188.98624	0.5
206.99725	2.1
225.00760	13.9
226.01059	0.5
311.06235	0.3
317.05481	100.0
318.05798	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	315.1604
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
51.15153	0.7
59.01377	2.1
60.52435	0.7
69.26037	2.0
69.26457	5.3
87.04534	0.8
93.03468	2.2
106.04247	1.9
108.02182	1.3
109.02953	1.9
121.02948	4.6
121.55741	0.8
133.02060	1.6
133.02965	16.3
134.03754	25.1
134.99323	0.8
135.04556	10.1
137.02458	29.7
138.02814	1.2
139.04025	13.6
148.01659	1.1
150.03217	3.6
152.01112	1.0
154.95293	0.8
161.02449	13.8
162.00800	0.8
165.01875	1.0
166.36055	0.8
175.04008	2.3
176.04803	1.0
178.02727	20.1
179.03481	5.0
187.04010	1.4
208.03648	1.5
219.06645	3.5
225.07027	0.8
233.15424	1.6
300.02844	1.8
300.06122	1.0
313.53116	0.8
314.97659	1.3
315.05148	3.7
315.08606	2.1
315.16022	100.0
316.16345	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	316.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.8
66.05164	0.6
69.69602	0.6
70.95937	1.3
70.96281	0.6
71.01385	6.9
73.02949	0.7
79.40042	0.6
84.04560	2.6
93.53475	0.8
94.02977	1.0
95.04999	0.7
97.01711	1.3
105.02304	0.7
112.04053	37.6
113.04360	1.0
122.06132	4.2
123.04482	0.9
124.04055	34.4
125.04438	1.0
140.07196	15.2
149.04558	0.8
166.05135	2.9
184.06158	100.0
185.06505	4.5
200.48305	0.7
225.83682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72342	0.6
57.03455	5.7
59.01380	0.9
69.03463	15.0
69.56329	3.7
71.01386	2.7
71.05019	3.0
71.28106	0.6
73.02950	2.7
88.04054	6.4
89.04392	1.7
95.50054	0.6
108.02155	1.0
111.08142	4.1
113.06103	2.2
115.00391	1.6
116.00745	0.6
123.08170	1.8
131.03476	3.7
139.11307	19.4
140.11649	1.0
183.10271	100.0
184.05305	2.7
184.10600	5.3
185.11884	0.7
197.79720	0.5
199.07648	1.1
200.13774	1.7
233.77910	0.6
243.06610	1.7
271.17538	1.2
300.02466	1.2
300.05637	0.8
315.04697	1.3
315.08575	1.3
315.17017	6.6
336.75742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1241
Annotation	Monocillin II
Peak:m/z	Relative Intensity
53.47675	0.3
67.01908	0.4
70.10310	1.1
77.28517	0.3
98.19997	0.4
107.05036	10.2
108.05383	0.4
109.02976	0.5
110.38732	0.3
119.05039	1.5
121.02917	0.4
122.03695	0.4
125.02444	0.5
134.03743	0.7
135.04538	32.2
136.04877	1.3
147.04530	5.4
149.02493	0.5
149.06053	0.5
161.02440	0.5
161.06093	0.5
165.05545	0.5
181.10356	0.4
193.10208	0.3
197.09705	0.3
199.03947	0.3
213.08264	0.3
224.75635	0.2
225.09222	5.6
226.09999	38.2
227.10318	2.5
229.38359	0.4
230.09424	0.3
237.09213	18.7
238.07353	0.4
238.09985	21.6
239.10365	2.5
241.12349	46.5
242.12677	4.0
253.12350	38.1
254.12758	3.8
269.11850	0.7
270.08865	1.2
271.13416	11.4
272.13751	1.3
300.02731	0.5
300.06198	0.4
304.97696	0.3
315.12396	100.0
316.12720	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03193	1.4
57.03455	14.1
59.01122	1.3
59.01389	17.2
65.00334	1.6
69.03469	7.5
71.01378	1.4
71.05027	3.6
72.99337	1.0
73.02950	1.5
78.21377	1.0
78.64828	0.9
80.05048	3.0
83.05050	1.2
87.00903	1.4
95.01336	0.9
95.05040	1.0
97.06602	2.1
105.95998	0.9
108.02150	1.5
109.06603	1.6
111.04584	0.9
111.08134	1.8
111.16251	0.9
113.06087	2.0
123.08198	1.8
132.04546	3.6
139.07643	3.1
139.11292	16.5
141.09236	1.5
149.02257	1.1
149.04471	1.9
149.99547	1.0
150.05598	3.4
152.07187	4.9
153.01935	2.6
155.07205	1.0
183.10283	100.0
184.09212	1.1
184.10591	6.5
196.65924	1.0
227.07465	2.3
271.10788	1.7
293.16864	1.3
297.12469	2.2
297.16977	1.4
314.97824	1.7
315.01526	1.3
315.04916	1.8
315.08691	1.6
315.14395	1.7
315.18088	13.6
316.14130	1.1
316.18372	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	315.1241
Annotation	2-(3,5-Dimethoxyphenyl)-3,4-dihydro-7-methoxy-2H-1-benzopyran-5-ol
Peak:m/z	Relative Intensity
50.07199	0.4
51.02407	0.4
59.01372	0.5
59.16218	0.4
67.01898	13.7
69.03460	0.7
70.77100	1.2
72.68387	0.4
79.01929	0.8
80.89261	0.4
84.14671	0.4
95.01392	1.5
95.14533	0.4
107.05048	3.0
109.02999	0.4
119.05026	1.6
120.02145	0.4
121.02958	1.5
123.00883	3.1
134.03786	2.3
135.04535	9.8
136.01668	0.6
137.02449	1.5
141.09583	0.4
145.24254	0.4
146.49760	0.5
147.04549	1.8
148.05309	3.2
149.02495	0.5
150.03218	1.6
151.04060	0.7
163.03999	2.0
165.01958	5.0
195.11736	1.0
197.17355	0.4
206.67412	0.4
207.08174	1.0
209.09700	0.9
211.11250	1.1
213.09232	0.8
223.07651	7.8
224.08427	9.4
225.09169	7.5
226.09966	9.7
227.10385	0.8
236.64857	0.5
237.05618	0.7
239.10796	51.6
240.11148	4.7
241.08693	2.9
241.12352	9.7
242.12793	1.0
255.20111	0.5
256.07474	6.1
271.13419	26.9
271.20624	0.7
272.13715	2.8
300.02652	0.6
315.12402	100.0
315.19638	3.8
316.12720	9.8
316.20135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22655	1.8
57.03453	2.2
58.02968	3.8
59.01381	6.7
71.01376	6.1
71.55179	3.9
73.04072	9.0
74.02459	2.5
75.99745	1.7
82.02998	11.1
83.01398	7.5
84.00908	9.2
85.02949	2.9
87.00932	3.1
88.04035	17.5
93.08398	2.2
94.03002	4.7
95.01408	2.0
96.04557	22.0
98.02487	13.7
100.04033	4.2
107.05019	3.2
108.02181	6.2
109.02953	6.5
112.04051	15.1
112.45911	2.1
114.05614	2.4
115.00341	3.6
122.02495	4.9
123.04539	3.0
127.35669	2.0
129.05576	2.3
130.08754	100.0
131.09105	2.6
132.03050	3.0
138.05626	7.4
139.05980	5.3
139.07642	5.1
140.03525	3.1
140.07211	4.3
141.10330	5.1
143.11919	75.1
144.12154	2.2
149.04570	4.1
152.01173	5.2
153.01961	8.4
153.05602	4.7
156.03030	9.2
166.01462	22.2
178.03940	3.2
179.11919	5.3
183.06610	5.5
184.02606	9.3
187.10828	12.6
191.11952	2.4
193.06558	3.0
201.05835	2.2
205.97116	2.2
209.12970	31.0
211.04033	2.6
211.07771	4.9
225.12456	7.6
228.10304	3.4
233.77612	2.1
237.05627	2.8
253.09331	4.1
253.11937	52.8
254.12228	4.8
255.06677	3.0
256.08282	3.1
269.11435	42.4
271.10794	8.2
271.13470	9.3
281.04602	2.6
297.10947	32.8
298.07120	3.4
299.05652	5.5
315.07370	5.6
315.11978	76.4
315.15314	3.8
316.08456	12.6
316.13840	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	315.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.6
59.01379	2.3
61.08046	0.5
61.35523	0.5
69.03461	0.7
71.01395	2.2
71.55565	0.8
73.02957	1.9
79.01878	0.6
80.05079	0.6
89.02460	2.9
93.07097	0.9
95.01423	0.7
96.34022	0.5
107.01401	0.8
108.02164	1.1
109.02951	0.8
121.02948	1.0
122.06139	1.0
131.03488	1.2
139.07663	100.0
140.08038	3.5
145.62993	0.5
149.02599	0.8
149.04584	14.2
150.05653	1.3
152.01242	0.6
152.07178	0.9
153.01981	1.0
153.09102	0.6
167.40042	0.5
169.12375	0.8
183.06625	21.2
183.10199	3.3
183.80779	0.6
184.06938	0.8
197.11876	1.2
241.14548	1.7
271.14536	0.9
285.07794	0.8
307.43127	0.6
314.97736	0.7
315.01773	0.7
315.04984	1.1
315.10699	3.4
315.14114	2.1
315.17719	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	315.109
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01390	1.4
61.23516	0.3
65.03985	0.6
70.03238	1.2
70.40498	0.3
71.01388	0.4
71.52215	0.4
78.92620	0.3
83.01379	0.7
85.89893	0.3
89.14423	0.3
95.05074	0.9
108.02187	0.9
109.02966	3.1
112.04034	2.2
122.03769	0.6
123.04537	76.4
124.04044	1.8
124.04871	3.3
125.02454	1.3
140.07176	1.2
151.00391	3.1
152.01028	0.5
153.02135	2.1
153.05585	100.0
154.05925	3.8
169.01442	1.6
176.36537	0.3
184.06165	6.9
246.36719	0.4
271.10870	0.5
280.10080	0.4
315.07202	3.6
315.10800	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	315.0877
Annotation	7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone
Peak:m/z	Relative Intensity
50.48504	1.0
59.01385	1.9
63.02380	1.4
63.80510	1.2
65.00331	15.9
66.01094	1.7
71.01395	1.5
82.00611	1.6
86.25169	1.1
88.04075	4.0
95.01419	2.2
106.00612	2.5
107.01408	4.1
107.15398	1.2
108.02162	1.8
108.04552	2.8
109.02960	14.0
111.00885	1.7
121.02959	2.7
123.00879	8.8
124.01646	3.6
125.02468	1.3
132.72328	1.2
134.03773	6.1
135.00856	1.7
135.04543	10.2
136.01642	4.1
136.07706	3.4
137.02411	2.9
139.00372	4.5
139.04066	2.9
148.01715	1.2
149.06081	3.6
149.99606	56.6
150.03204	2.0
151.00394	11.7
151.03964	1.8
152.01141	2.8
154.02731	1.7
158.50858	1.2
163.00383	4.5
163.03992	2.0
165.01959	4.9
165.05582	1.7
169.01498	2.3
171.04495	1.4
177.05562	2.0
178.99832	1.2
183.02975	2.7
183.04453	2.4
185.06056	2.7
187.03972	1.8
195.04529	1.5
199.03868	1.7
201.05713	1.9
211.03998	5.3
212.04785	2.4
213.05571	4.9
223.03969	1.7
224.04793	3.9
227.03485	4.0
227.07187	1.9
228.07982	3.2
239.03520	3.8
240.04289	15.7
241.04990	7.6
242.05901	1.4
243.10237	2.4
254.05830	5.0
255.03021	8.4
255.06645	12.3
256.03528	2.2
256.07083	1.4
257.04565	5.9
268.03659	3.6
269.04529	3.2
269.08194	8.7
270.05255	4.1
270.08344	2.2
271.06204	5.5
271.10538	3.6
272.03241	1.2
272.06808	5.0
275.57422	1.4
282.05368	4.2
283.02426	3.8
283.05716	1.8
284.03210	2.7
285.03931	14.0
287.05853	1.4
287.09283	3.7
297.00473	1.4
299.05557	4.6
300.02673	7.4
300.06378	73.5
301.03317	1.9
301.06720	5.7
315.05081	6.9
315.08743	100.0
316.09052	8.1
316.17636	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
65.00327	0.5
67.77787	0.3
69.41876	2.0
69.42277	0.8
81.27911	0.4
95.01392	0.7
108.02181	0.3
123.00903	1.3
124.01675	100.0
125.01992	3.4
139.04027	49.1
140.04370	2.1
148.01671	0.6
151.00346	0.4
152.01219	0.7
161.02475	0.3
163.41681	0.4
176.01131	0.4
177.01859	0.4
195.04588	0.4
226.07449	1.0
229.05112	0.5
239.03490	0.8
241.09875	1.5
255.02977	0.5
257.04520	0.4
271.11038	1.6
282.05261	0.4
285.04144	3.9
286.04385	0.5
296.26447	0.4
300.03033	0.5
300.06378	4.0
301.06570	0.3
315.05057	1.1
315.08749	15.8
315.21594	0.4
316.09085	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	315.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63811	0.5
56.88029	0.4
59.01382	2.8
63.02405	0.9
65.00333	0.8
67.01910	0.5
69.23870	2.5
69.24294	2.1
71.01408	2.6
73.02963	0.9
77.86388	0.5
79.01904	0.6
82.79559	0.5
83.01413	0.7
85.02978	1.5
95.01405	4.2
98.19876	0.9
101.02426	1.3
107.01406	0.8
108.02187	1.3
109.02968	4.1
110.00127	1.2
123.00903	14.8
124.01686	1.2
125.02456	12.3
129.07153	0.8
132.02200	3.6
133.02998	1.1
135.00876	0.7
136.01712	0.7
141.07112	0.8
149.02449	1.4
151.00357	1.9
153.01915	0.8
154.01181	0.5
155.05167	0.6
157.06586	1.7
159.04514	1.4
160.01678	6.8
161.02457	13.4
161.04517	0.8
163.00420	0.6
165.99113	1.6
167.05013	1.2
169.06656	0.7
173.06079	1.7
183.04512	1.6
185.06075	2.9
187.03961	1.3
189.52560	0.6
195.04617	2.7
198.03168	0.9
199.03929	1.1
200.04820	0.6
201.05583	9.4
202.06003	0.6
211.03981	5.7
213.05623	3.0
213.77611	0.6
214.02756	2.4
214.05980	0.7
215.03404	1.0
223.03986	1.5
224.04865	0.5
226.06514	0.6
227.03506	0.8
228.04213	1.0
229.05069	17.5
230.05530	1.5
239.03496	7.0
240.04123	1.0
241.05096	2.3
242.02191	1.6
243.02852	0.8
254.05795	0.7
255.02846	0.6
256.03888	1.0
257.04593	9.1
258.04822	0.5
267.03009	7.7
268.03592	1.5
270.01718	1.8
271.06097	1.1
272.07074	0.7
282.05347	5.2
283.06058	0.8
285.04068	100.0
286.04443	8.4
297.03925	0.9
299.05667	1.7
300.06412	93.7
301.06784	8.0
314.98044	1.1
315.05112	3.6
315.08752	44.8
315.22101	0.9
316.05710	0.9
316.09042	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	315.0879
Annotation	3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone
Peak:m/z	Relative Intensity
56.08178	0.7
66.54877	0.7
69.34228	1.8
69.34634	3.9
93.03465	28.2
95.01374	1.7
95.95703	0.7
98.20630	1.1
108.02183	13.0
109.02967	1.2
121.02969	10.6
123.00929	1.4
123.04522	2.1
124.01624	0.8
135.04553	2.4
136.05289	1.5
149.02466	1.8
149.06134	0.7
151.04024	9.3
153.01968	1.6
153.21397	0.8
165.01862	0.8
167.08626	1.9
197.06157	1.2
211.07677	21.6
212.08446	78.5
213.08794	5.5
227.10802	100.0
228.11119	7.8
271.09787	51.3
272.10098	4.6
300.02792	1.2
300.06277	1.4
315.05499	2.3
315.08762	63.7
316.09113	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	315.0877
Annotation	5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
50.06422	0.4
52.73067	0.4
57.02937	0.4
59.01373	0.6
63.02402	8.7
63.74620	0.4
65.00333	4.7
75.20850	0.4
83.01388	7.1
84.46430	0.4
86.31776	0.4
95.01405	1.2
98.19844	0.7
104.13713	0.4
107.01403	15.9
108.02226	1.1
109.02971	0.4
121.02935	0.8
123.00871	0.7
123.96510	0.4
124.01687	2.2
136.01646	1.0
137.02464	1.0
147.04515	0.5
149.99623	2.0
151.00383	38.2
152.01193	6.0
164.01219	0.6
165.01936	6.1
169.01372	2.6
227.03543	0.4
229.19135	0.5
241.05179	0.5
257.04608	8.5
258.04959	0.7
271.06155	9.1
272.06839	0.7
285.04071	24.3
286.04416	2.0
299.05612	13.2
300.02908	1.1
300.06354	14.3
301.06802	1.2
315.08768	100.0
316.09100	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	315.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50038	1.0
59.01389	6.5
71.01402	3.3
83.01405	1.1
88.04055	16.0
89.04398	3.5
91.01910	1.3
95.01393	6.7
108.02188	4.6
109.02963	3.4
110.25882	1.1
115.00385	1.9
118.50526	1.1
121.03040	1.0
123.00905	32.4
123.04542	4.6
124.01725	5.9
132.03032	8.0
133.03403	3.0
136.01685	8.6
137.02467	1.9
138.03232	13.4
148.01662	4.7
149.02458	1.2
149.99625	1.5
151.00383	1.5
151.04037	4.2
163.00360	2.9
163.04008	2.4
165.01859	2.2
171.04573	1.5
171.33533	1.2
176.01170	3.3
182.20665	1.2
183.10252	5.1
184.05267	1.4
185.02492	2.5
185.06036	1.8
186.03244	3.3
187.04054	1.9
191.03551	2.5
197.11588	1.3
198.03189	9.3
199.03978	4.8
201.05531	1.4
211.04033	2.7
212.04871	1.4
213.02034	6.9
213.05574	4.7
214.02733	21.2
215.03322	2.5
224.04744	3.2
225.05464	1.7
226.02821	8.9
227.03314	2.2
228.04269	1.4
229.05005	7.8
239.03517	4.2
239.07211	4.9
240.04295	13.7
241.05080	21.8
242.02205	20.9
243.02878	6.5
243.06747	1.2
254.05908	1.9
255.03038	2.2
255.06660	46.7
256.04181	1.1
256.06961	5.4
257.04553	16.6
258.05255	6.9
267.02939	4.4
268.03687	3.8
269.04575	2.7
270.01715	35.3
271.02133	3.0
271.09839	3.6
272.06830	3.7
273.07648	4.5
282.05389	2.2
283.06119	16.6
284.06726	3.7
285.04080	100.0
286.04529	6.9
287.09210	4.0
300.03064	3.3
300.06403	82.0
301.06784	7.5
315.05185	3.8
315.08765	24.0
315.12848	2.1
315.16150	8.7
316.08914	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53836	1.6
59.01381	6.3
71.01380	4.4
71.55009	2.2
83.01395	2.5
88.04043	20.4
89.04403	2.7
95.01377	7.4
108.02208	4.5
109.02975	4.6
115.00404	3.3
123.00896	34.7
123.04525	3.6
124.01665	4.9
132.03056	8.9
133.03406	2.3
136.01671	8.3
137.02412	1.9
138.03259	10.6
140.35957	1.4
148.01660	4.1
149.99635	2.5
151.00314	2.3
151.04007	5.8
158.03723	2.8
163.03934	1.5
165.01917	2.8
170.03741	2.2
176.01144	1.7
179.13889	1.6
180.00670	1.8
183.10249	5.6
184.05318	1.9
185.02480	2.9
186.03149	2.1
187.04060	2.5
191.03542	2.7
195.04442	2.1
197.11804	2.0
198.03227	10.5
199.03958	3.6
200.65172	1.7
211.04048	3.7
213.01917	8.5
213.05617	4.8
214.02695	21.6
215.03255	3.3
224.04779	5.4
226.02682	12.1
227.03502	2.9
229.05081	8.3
239.03471	5.0
239.07111	3.9
240.04243	13.5
241.05070	23.7
242.02232	18.5
242.04919	2.6
243.02945	5.2
255.02708	2.0
255.06645	46.2
256.07074	3.8
257.04575	14.8
258.05203	6.6
267.02975	3.0
268.03629	4.0
268.37344	1.8
269.04346	3.5
270.01709	36.6
271.02173	3.3
271.09515	3.1
271.17731	1.9
272.06906	3.7
273.07697	5.5
283.06189	18.9
284.06503	3.2
284.09360	1.8
285.04077	100.0
286.04401	7.3
287.09265	3.9
300.03238	2.5
300.06400	73.6
301.06766	6.2
315.05170	3.5
315.08664	19.2
315.12711	3.5
315.16217	13.5
316.08997	2.5
318.17722	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	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01375	0.7
63.89552	0.5
65.03977	0.6
71.01402	2.2
73.02963	0.6
78.57199	0.5
79.56174	0.4
81.03457	1.3
83.82185	0.4
85.02934	2.4
93.03479	0.8
95.01395	1.0
95.98666	0.5
99.00890	0.5
101.02441	0.7
108.02184	100.0
109.02978	51.0
110.03308	1.2
113.55986	0.5
121.02982	0.9
123.00898	0.6
123.04521	1.1
131.83403	0.5
135.00922	2.0
151.04013	1.4
152.01167	66.7
153.01958	40.4
154.02310	1.8
163.04048	1.1
165.01956	1.6
181.05078	0.8
195.02956	0.5
225.04008	0.7
286.95865	0.5
294.24091	0.5
315.07239	77.6
316.07535	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	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
58.25494	0.6
70.70943	1.6
71.01389	2.8
73.02948	0.6
81.03449	0.8
85.02959	2.5
95.01416	1.2
104.24362	0.6
108.02183	100.0
109.02978	33.6
110.03291	0.8
113.02461	1.2
121.02959	0.9
123.00902	1.1
123.04490	0.8
123.23721	0.6
129.23889	0.6
151.04001	2.1
152.01170	74.4
153.01970	35.4
154.02312	1.1
155.16475	0.7
162.63301	0.6
163.04004	1.7
165.01961	2.0
190.34323	0.7
195.03006	0.7
223.26259	0.7
253.21123	0.6
315.07236	92.3
316.07635	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	315.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53712	0.6
52.78839	0.6
55.44910	0.7
59.01386	1.8
63.28479	0.8
70.93601	1.3
71.01385	2.7
73.02973	0.9
81.03461	1.4
85.02959	2.0
95.01402	1.3
101.02436	1.8
108.02184	100.0
109.02975	46.0
110.03270	1.5
112.04078	3.3
113.02436	0.8
121.02970	1.2
123.00909	0.7
123.04544	2.2
124.04061	2.5
135.00894	1.4
135.04530	0.7
140.07211	1.7
152.01163	63.1
153.01958	43.6
153.05534	1.7
154.02269	1.7
163.04053	1.4
165.01929	2.0
179.56720	0.8
184.06154	10.9
315.07239	83.6
316.07669	5.2
324.78830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0514
Annotation	(-)-4,9,11,12a-Tetrahydroxyrotenone
Peak:m/z	Relative Intensity
57.03452	15.9
58.03781	0.4
59.01377	0.6
59.04329	0.2
63.02390	0.3
65.00344	0.4
69.81706	1.2
71.01414	0.2
81.03473	2.8
83.01392	10.5
84.01701	0.2
89.02417	0.3
93.03520	0.2
96.96003	0.4
107.01411	0.7
108.02200	0.3
109.02985	0.5
119.01395	0.2
119.05005	0.3
121.02961	0.3
123.00908	0.4
123.53197	0.2
124.01687	0.4
125.02457	100.0
126.02792	2.7
135.00931	0.3
135.04520	0.6
136.01678	0.8
137.02463	0.3
139.03978	0.3
148.01610	0.2
149.02464	0.3
149.06128	0.4
150.03285	0.3
151.00378	0.7
153.05684	0.2
159.04536	0.3
161.02478	0.4
162.03242	0.3
163.00381	1.2
163.08870	0.2
165.01939	0.3
176.04770	0.7
177.01976	0.5
183.04510	0.3
187.04015	0.3
200.04512	0.5
205.05141	0.8
211.03920	0.4
219.77214	0.2
227.03516	0.4
228.03867	0.4
241.04642	0.2
243.02956	0.5
255.03024	0.7
256.03601	0.6
257.04346	0.5
267.02692	0.3
271.02356	0.5
272.02921	0.6
272.06842	1.4
283.02759	0.5
283.06119	0.8
284.03241	0.9
285.03940	0.8
287.09238	0.8
297.07813	0.5
300.02676	4.1
300.06033	0.4
301.02893	0.3
315.05103	33.8
315.21902	0.4
315.25616	0.3
316.05499	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	315.0514
Annotation	SYDOWININ B
Peak:m/z	Relative Intensity
59.01371	1.7
63.02401	1.0
65.00352	1.6
71.02368	1.6
83.01354	1.6
91.01878	1.1
95.01408	3.6
95.57207	0.8
96.96004	1.1
107.01405	2.9
108.02184	3.1
109.02977	1.5
111.00906	0.8
119.01405	1.7
121.02945	1.2
123.00873	1.6
124.01645	1.2
133.02954	1.4
135.00867	3.6
136.01704	2.7
137.02458	3.4
148.01688	3.9
151.00348	3.4
153.01926	0.9
157.08707	1.5
158.03775	0.9
161.02405	1.6
171.04573	1.8
172.05295	1.0
175.04085	1.6
183.04524	3.0
185.02379	1.0
187.03937	1.8
188.04820	1.8
190.02728	0.8
197.11871	1.2
199.03967	4.3
200.04736	1.0
201.02039	2.3
202.02600	1.2
203.03561	1.6
211.03992	3.5
212.04810	1.8
214.02628	1.3
215.03503	5.6
216.04340	5.6
227.03522	12.6
228.04247	3.9
229.05087	3.9
232.03764	2.6
239.03503	2.3
242.02200	3.1
243.02974	14.7
244.03632	2.4
255.03014	41.2
256.03589	6.8
257.04593	5.2
270.01746	1.6
271.02505	40.3
272.03256	31.4
273.03461	0.9
283.02499	20.3
284.03268	53.3
285.04031	33.2
286.04749	9.0
287.05606	16.0
300.02725	11.3
300.05850	5.0
301.03082	1.0
315.05112	100.0
315.08041	4.6
315.21744	7.2
316.05472	8.5
325.95621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
58.02982	10.5
59.01387	1.8
70.01041	3.5
70.01314	1.1
71.01386	23.8
86.90491	0.7
88.04049	100.0
89.04399	1.5
94.52766	0.7
95.25026	0.8
96.54223	0.7
96.99328	1.8
98.20586	1.0
99.13246	1.0
114.01956	1.8
115.00379	22.6
128.70953	0.7
132.03023	6.9
140.10825	9.8
162.62314	0.7
166.38843	0.9
180.13969	1.8
183.10295	1.5
196.98462	0.8
198.14989	8.5
199.13422	18.7
199.15175	0.6
200.13751	2.0
212.04332	1.2
228.03949	1.8
250.53951	0.8
252.15970	1.1
256.03314	4.5
270.17136	19.1
271.17474	1.1
284.02878	4.6
296.15103	4.1
299.05209	9.5
300.05414	1.4
314.08051	5.5
314.16116	89.2
315.16385	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	314.1614
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
57.03444	1.0
58.02982	10.5
59.01387	1.8
70.01041	3.5
70.01314	1.1
71.01386	23.8
86.90491	0.7
88.04049	100.0
89.04399	1.5
94.52766	0.7
95.25026	0.8
96.54223	0.7
96.99328	1.8
98.20586	1.0
99.13246	1.0
114.01956	1.8
115.00379	22.6
128.70953	0.7
132.03023	6.9
140.10825	9.8
162.62314	0.7
166.38843	0.9
180.13969	1.8
183.10295	1.5
196.98462	0.8
198.14989	8.5
199.13422	18.7
199.15175	0.6
200.13751	2.0
212.04332	1.2
228.03949	1.8
250.53951	0.8
252.15970	1.1
256.03314	4.5
270.17136	19.1
271.17474	1.1
284.02878	4.6
296.15103	4.1
299.05209	9.5
300.05414	1.4
314.08051	5.5
314.16116	89.2
315.16385	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	314.1612
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
50.11222	1.4
59.01372	2.8
65.04970	1.5
66.62417	1.7
69.17112	1.4
71.01019	1.8
71.01390	25.3
71.55109	1.8
74.02497	7.6
85.06599	12.3
88.04047	99.5
89.04419	1.7
104.03559	3.2
112.07657	2.0
114.01975	2.4
115.00376	25.9
125.02456	2.9
132.03043	11.4
134.72412	1.4
138.09248	3.0
139.41682	1.3
165.01741	1.6
165.12888	2.1
180.13960	16.3
198.14960	4.8
199.13440	12.1
208.17041	4.5
222.14857	1.5
227.03595	1.5
230.99559	1.5
252.16139	2.2
255.03259	1.5
256.03348	4.2
270.04846	3.0
270.17102	22.6
271.06055	2.6
284.02869	5.3
285.04099	1.4
296.02722	3.4
296.15088	7.4
298.04453	3.5
299.05185	7.2
300.02704	2.7
300.06137	2.3
314.03925	5.1
314.07550	16.5
314.16101	100.0
315.04932	3.4
315.08502	2.7
315.16339	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	314.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
61.31368	0.8
65.91158	0.9
69.82943	3.8
70.02994	0.9
71.01019	1.5
71.01392	23.9
85.06593	12.0
88.04050	100.0
89.04377	1.5
96.99330	1.7
108.02175	0.8
108.08223	1.6
109.03017	1.1
112.07702	1.0
114.01986	1.4
115.00378	23.5
115.07676	2.3
115.54468	0.7
123.00915	1.1
130.08745	2.3
132.03056	8.9
138.09256	2.5
149.99606	1.0
161.02431	1.0
180.13971	15.9
183.10236	2.6
198.15036	3.3
199.13423	11.5
227.03456	1.4
252.16124	1.5
255.02832	1.5
256.03470	1.3
270.17130	19.4
271.14557	1.1
271.17276	1.2
272.03323	2.0
284.02966	1.5
285.04092	1.4
287.05630	1.0
296.14981	5.6
297.04059	2.1
299.02249	1.4
299.05185	3.2
300.06357	1.9
314.08002	1.7
314.16138	84.2
315.05093	3.0
315.08633	2.0
315.16431	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	314.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71553	0.4
57.53304	0.3
59.01373	0.9
70.49093	1.2
71.01405	1.2
73.02943	0.8
80.59809	0.4
87.00872	0.4
88.04046	1.5
89.02437	2.2
95.05017	0.8
96.04574	0.7
99.00848	0.5
108.02202	0.4
112.04092	0.7
120.04533	0.7
123.03278	23.5
130.08751	2.2
131.03542	1.0
138.05620	100.0
139.05980	3.9
143.11932	2.3
149.04558	11.1
166.01492	0.7
182.08234	1.1
183.22124	0.4
209.12912	0.8
213.15385	0.4
217.00954	0.4
224.45230	0.5
253.12003	1.5
269.11484	1.5
297.11023	0.9
314.12543	1.4
315.12103	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	314.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01379	3.7
59.81003	0.5
64.76676	0.5
71.01379	2.3
71.55018	0.7
73.02973	0.9
73.04073	1.1
74.02478	3.1
78.10410	0.5
80.49913	0.5
80.99903	0.6
82.02998	1.1
84.00932	0.9
88.04053	6.4
89.02455	1.9
95.05039	0.7
95.62409	0.5
96.04573	1.9
97.06633	0.7
98.02489	3.1
99.00912	0.9
101.02443	1.4
108.02193	1.1
108.04535	0.7
109.02946	1.2
111.04461	0.6
112.04045	1.7
113.02522	1.0
114.05606	1.5
115.00399	1.2
118.98080	0.6
122.02467	1.4
122.06129	0.7
123.03279	22.8
124.03598	0.6
130.08752	10.4
131.03575	0.7
132.03040	8.3
138.05624	100.0
139.05989	3.2
143.11905	8.8
149.04579	5.9
151.00388	0.9
151.04027	8.8
152.01135	0.9
152.04361	9.8
152.07204	0.5
153.01935	3.4
153.05611	0.8
156.03081	1.7
162.09138	0.5
166.01425	2.0
167.03529	1.7
169.09846	0.6
180.10460	0.5
182.08299	1.3
184.02467	0.7
187.10892	1.0
209.12982	3.3
224.09378	0.9
225.12555	1.0
242.44308	0.6
253.11966	4.7
269.11420	6.5
270.13690	0.7
271.10620	0.6
271.13202	1.0
297.10983	3.9
301.36835	0.5
314.09528	2.0
314.12622	5.7
314.16672	0.9
315.07373	1.1
315.12064	7.1
315.15244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2388
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
53.51889	0.7
56.68021	0.7
58.00595	2.8
59.01381	8.4
69.61609	4.8
71.64862	0.6
99.08161	19.4
100.39812	0.8
121.03011	1.1
127.07655	3.3
129.09239	18.9
129.10207	1.2
183.13922	38.5
184.14261	2.7
195.13908	3.4
199.04016	1.0
203.77142	0.8
211.03986	1.7
227.03464	2.3
239.03621	1.0
241.05109	1.3
242.05499	1.2
245.69449	0.7
255.02968	3.6
257.08200	2.1
277.21762	3.0
283.02563	5.9
284.02884	1.2
284.06897	0.9
295.22745	8.8
298.04840	16.4
299.05273	1.3
313.03787	1.4
313.07147	8.4
313.10785	1.0
313.23871	100.0
314.24228	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	313.2387
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
54.16719	0.6
55.34039	0.5
57.03446	1.2
59.01385	2.0
61.61954	0.5
62.37069	0.6
69.03448	0.6
69.17338	5.9
83.73326	0.6
98.19935	1.1
135.04544	1.2
143.04962	0.8
185.00713	2.7
206.06725	0.6
211.03996	0.9
213.15134	0.6
226.09978	1.2
227.03627	1.0
241.12514	1.0
242.02167	0.8
249.22322	0.9
251.23820	67.6
252.24162	5.9
255.03101	3.2
269.11920	0.6
269.24875	2.0
270.01620	0.7
271.58612	0.6
283.02582	4.4
290.20319	0.7
295.19424	1.4
295.22803	25.7
296.23141	2.3
298.04849	9.0
313.03592	1.8
313.07199	4.0
313.10938	1.4
313.16797	4.8
313.23889	100.0
314.24225	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	313.2752
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
53.24297	0.7
57.03457	10.2
59.01365	0.8
69.03463	3.4
73.78108	0.7
91.02206	1.3
98.19843	1.0
185.00760	1.0
220.16156	0.8
241.01555	0.8
242.02295	1.4
245.01172	0.9
251.23775	1.0
255.03351	0.8
267.26941	51.2
267.98956	0.9
268.27277	4.0
270.01721	1.1
275.10764	0.8
283.02588	1.1
283.06436	0.8
295.26431	3.0
298.04889	2.8
311.26028	1.0
313.03598	4.3
313.07025	1.5
313.27518	100.0
314.27893	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	313.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
69.18951	13.8
71.16334	1.4
74.23089	1.6
87.93474	1.5
132.54631	1.4
149.99557	2.5
171.04587	1.4
181.04143	1.2
182.03445	1.4
183.04510	3.8
198.03186	2.0
199.04021	4.4
211.03995	5.6
213.09132	1.4
214.02725	1.8
226.02687	5.6
227.03484	11.8
239.03503	3.3
241.08824	1.8
242.02226	6.2
255.02998	11.7
267.06741	2.7
269.04620	1.8
270.01758	8.8
270.04489	1.9
282.01810	1.8
283.02518	18.0
284.02615	2.7
285.04037	4.9
285.07156	1.7
295.06177	1.8
298.01425	2.9
298.04828	51.2
299.05203	4.1
313.03537	15.3
313.07205	44.6
313.10892	3.4
313.20383	1.9
314.04010	2.8
314.07510	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	313.2178
Annotation	Dehydroabietic acid methyl ester
Peak:m/z	Relative Intensity
59.01381	2.0
67.01879	3.1
68.99825	1.5
69.62344	6.7
75.20290	1.1
78.93687	1.0
80.02682	8.3
81.03007	1.4
81.03467	19.7
93.03468	2.1
95.01395	34.2
96.02183	3.9
97.02953	3.2
98.19939	1.3
103.04672	1.1
108.02206	9.6
109.02256	1.2
109.02971	22.0
110.00100	1.7
111.00893	10.6
111.04539	19.7
112.04836	1.2
115.05529	3.9
117.07123	1.3
121.02993	2.8
122.03738	4.4
123.04525	1.1
128.01158	4.2
135.04512	2.3
143.05042	100.0
144.05455	4.4
145.02899	1.1
145.06606	3.9
153.86664	1.1
159.04565	5.8
161.06105	6.2
169.06592	4.2
170.07451	2.5
171.04489	2.3
172.05269	4.1
173.04764	1.2
173.06050	5.5
185.00777	1.4
185.06084	3.2
187.07657	31.2
188.08112	1.8
197.09656	3.1
199.07611	3.0
199.11298	3.0
201.09225	7.8
202.09717	1.2
213.09143	2.3
215.10779	15.6
216.11533	10.1
227.03519	1.8
229.10110	1.2
229.12361	17.1
239.14584	1.1
255.03001	3.8
255.13908	2.3
260.81012	1.2
269.15601	1.8
281.19141	29.6
282.19525	2.7
283.02594	2.8
283.17026	15.9
283.20609	3.2
284.17310	1.6
295.17120	2.3
297.18582	4.0
298.04816	9.4
298.19370	13.0
313.03723	2.1
313.07193	5.4
313.18008	2.3
313.21716	52.1
314.22159	8.3
330.18326	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	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46598	2.1
57.03442	2.7
59.01387	30.9
87.04536	3.3
90.47701	1.8
98.19926	7.3
101.02423	2.2
107.05040	16.4
117.60118	2.2
121.02934	6.6
135.04539	59.1
136.04810	2.1
145.03017	2.1
171.04491	2.5
183.04433	4.8
199.03973	4.7
211.04013	8.6
213.01965	3.7
224.17232	2.9
225.09265	7.4
225.17677	5.8
226.10017	49.8
227.03590	9.7
227.10323	4.2
228.03986	2.3
234.30800	2.4
239.03435	4.2
241.10083	3.5
241.12350	36.5
242.12665	2.5
251.10797	2.7
253.04901	2.6
253.18092	7.5
254.09543	5.5
255.03024	20.1
269.04602	3.3
269.11777	20.4
270.01859	2.3
270.05252	5.5
283.02515	38.5
284.02884	5.0
287.61826	2.1
295.09668	7.7
295.21967	3.8
297.03830	3.4
298.04849	100.0
299.05112	10.0
313.03345	7.7
313.07108	56.9
313.10864	76.3
313.14545	3.4
313.17905	8.2
313.23083	39.7
314.03983	2.3
314.07608	3.8
314.11145	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	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45280	1.7
52.54956	1.7
59.01386	100.0
60.01699	1.9
60.09833	1.5
60.32573	1.7
65.61411	2.0
68.97128	1.7
69.39447	13.3
70.71307	1.6
85.75296	1.7
121.02975	2.0
123.04499	1.9
133.02960	6.7
136.92117	1.9
137.02541	1.8
143.05048	1.7
161.02434	3.3
163.00420	2.2
178.99931	5.8
195.04228	1.7
198.03166	2.3
199.03874	4.4
211.04037	6.8
213.02045	3.5
213.05527	4.2
213.09283	2.4
219.52597	1.7
225.05486	1.9
226.02805	2.8
227.03467	7.5
235.37680	2.2
239.03419	3.4
241.05058	4.0
242.02200	3.7
242.05518	4.1
245.00992	1.8
255.03046	12.4
269.04443	4.1
270.01648	3.0
270.05270	3.0
283.02417	18.3
285.04083	4.8
297.03928	4.2
298.01373	4.1
298.04797	75.7
299.05133	4.3
313.00034	1.1
313.03540	33.0
313.07150	35.2
313.10974	5.4
313.14780	4.8
313.20218	2.2
313.23718	4.7
314.03958	5.9
314.07385	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	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.42532	45.6
98.20633	10.5
110.21613	5.6
122.28484	5.6
183.13898	10.9
226.10072	7.9
227.03380	7.5
255.03001	12.2
269.22186	7.3
283.02466	22.5
298.04813	68.1
313.03815	11.3
313.07196	31.6
313.10715	9.7
313.23846	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45280	1.7
52.54956	1.7
59.01386	100.0
60.01699	1.9
60.09833	1.5
60.32573	1.7
65.61411	2.0
68.97128	1.7
69.39447	13.3
70.71307	1.6
85.75296	1.7
121.02975	2.0
123.04499	1.9
133.02960	6.7
136.92117	1.9
137.02541	1.8
143.05048	1.7
161.02434	3.3
163.00420	2.2
178.99931	5.8
195.04228	1.7
198.03166	2.3
199.03874	4.4
211.04037	6.8
213.02045	3.5
213.05527	4.2
213.09283	2.4
219.52597	1.7
225.05486	1.9
226.02805	2.8
227.03467	7.5
235.37680	2.2
239.03419	3.4
241.05058	4.0
242.02200	3.7
242.05518	4.1
245.00992	1.8
255.03046	12.4
269.04443	4.1
270.01648	3.0
270.05270	3.0
283.02417	18.3
285.04083	4.8
297.03928	4.2
298.01373	4.1
298.04797	75.7
299.05133	4.3
313.00034	1.1
313.03540	33.0
313.07150	35.2
313.10974	5.4
313.14780	4.8
313.20218	2.2
313.23718	4.7
314.03958	5.9
314.07385	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	313.1197
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
71.00160	0.8
71.00498	0.4
71.01394	0.7
71.09577	0.4
86.75372	0.4
88.04047	4.7
92.05045	0.9
94.06637	3.7
104.05075	6.5
106.06612	1.2
107.03777	8.2
115.00383	1.1
120.04541	1.1
122.06134	47.4
123.06446	1.9
124.07707	0.7
132.03030	2.9
133.02982	0.5
134.06142	1.7
139.02722	2.2
147.03340	0.4
148.04057	64.8
149.04411	2.5
151.05864	0.4
151.68385	0.4
152.07181	73.7
153.07533	2.9
160.04050	18.9
161.04680	2.2
162.05635	1.1
162.21658	0.4
167.05016	0.3
175.63857	0.4
183.04536	0.5
184.13345	0.4
186.53322	0.4
193.03737	0.5
194.43474	0.4
195.04797	0.5
199.03995	0.5
211.04033	0.8
212.32358	0.4
225.14944	1.5
226.02605	0.6
227.03555	1.3
239.03409	0.9
239.08275	0.6
255.02951	3.3
255.11343	3.6
267.11398	0.5
268.08487	0.4
270.01657	0.5
283.02499	5.0
283.10913	0.9
285.12466	12.0
286.12857	1.1
295.10913	0.6
298.04813	6.8
299.05167	0.6
313.07556	3.8
313.11945	100.0
314.12238	10.1
314.16110	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	313.0932
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
52.66320	3.5
57.03461	4.4
59.01376	11.8
70.58974	3.4
70.59299	6.6
71.01385	42.5
72.99296	2.9
73.02958	9.9
75.00897	5.5
83.01382	5.8
83.11583	2.8
85.02967	26.4
89.02445	3.4
93.03472	3.0
94.47871	2.9
95.01348	2.9
99.00891	6.4
101.02444	18.6
101.50414	2.7
104.64536	2.9
106.04259	6.8
107.05043	99.5
108.02220	4.0
108.05387	3.8
113.02465	18.2
121.03013	6.4
127.24350	2.8
151.04033	100.0
152.04353	7.5
161.04568	8.0
293.14346	3.0
298.67313	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	313.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56314	0.7
69.20531	8.3
69.39804	0.9
88.62069	0.8
107.05038	29.1
122.03722	1.1
135.04535	79.8
136.04837	3.4
145.02956	1.4
149.02403	1.2
149.06064	1.6
158.76236	1.1
217.31638	0.9
225.09215	13.8
226.09999	89.2
227.10356	7.5
241.12352	62.3
242.12654	5.4
251.10722	1.1
254.09499	4.6
255.02945	1.9
269.11829	28.3
270.09198	1.2
270.12186	2.5
283.01620	4.8
298.04742	5.9
313.10818	100.0
314.11069	9.8
337.20361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0934
Annotation	Pungenin
Peak:m/z	Relative Intensity
57.03415	1.0
59.01383	11.7
62.59217	1.0
68.97639	1.0
70.90948	1.3
70.91290	2.0
71.01387	15.5
73.02947	3.9
73.65156	0.9
75.00872	5.1
83.01401	1.4
85.02966	8.3
87.00859	2.9
89.02449	3.5
90.93630	1.0
93.03471	43.9
94.03780	1.5
96.99911	1.1
99.00883	1.1
101.02443	9.1
104.49477	1.1
106.04242	1.7
107.05044	16.4
108.02191	1.5
113.02455	5.4
119.05037	1.6
121.02982	4.5
123.04563	7.3
129.01958	2.2
133.02991	1.8
135.04555	7.0
137.02438	1.6
147.04541	1.0
149.02464	11.5
151.04024	62.7
152.04375	2.9
161.04579	2.5
162.12900	0.9
187.44798	1.0
197.04556	1.9
254.42578	1.2
313.09320	100.0
314.09619	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	313.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14096	0.4
71.01408	0.4
72.75002	0.4
75.49132	0.3
76.44937	0.4
88.04044	1.5
92.45857	0.3
98.20753	0.9
109.02955	0.6
115.00351	0.5
119.01428	0.5
121.02968	0.8
122.06098	0.9
132.03117	0.5
133.02975	3.2
139.85500	0.4
143.05016	0.7
147.00829	0.6
148.01659	0.6
148.04042	1.6
152.07172	1.3
155.05066	0.8
159.04538	0.4
167.05093	0.8
171.04515	3.2
182.03618	0.7
183.04549	5.3
185.02507	0.5
195.04567	0.6
198.03229	1.3
199.04019	6.9
200.04221	0.5
207.02888	0.5
210.03220	0.9
211.04013	11.1
212.04329	0.8
226.02678	1.7
227.03502	20.6
228.03909	1.0
237.02011	0.5
238.02515	0.6
239.03476	2.5
254.02222	1.1
255.03001	46.8
256.03369	3.4
266.02109	0.8
283.02493	87.6
284.02829	7.4
298.04834	100.0
299.02072	0.6
299.05151	7.9
313.07187	47.7
313.11469	1.7
314.07605	3.6
314.16144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.6
69.39524	4.2
71.01393	0.7
71.40155	0.5
75.46670	0.5
75.93470	0.5
76.17377	0.5
78.38698	0.5
88.04041	3.1
98.19939	1.3
101.65804	0.5
112.72221	0.5
115.00376	0.8
130.08716	0.8
132.03026	1.7
147.00871	0.7
148.01707	1.3
155.05042	1.3
159.04495	1.1
161.02634	0.6
167.03539	1.0
167.04971	0.9
171.04547	4.9
175.00302	1.7
182.03729	1.2
183.04523	5.7
184.04938	0.8
185.02504	0.8
187.04132	0.6
199.04024	9.0
210.03386	0.8
211.04005	12.6
212.04477	0.6
226.02640	1.2
227.03528	21.5
228.03848	1.8
239.03546	5.8
254.02107	2.3
255.03004	57.4
256.03363	4.3
262.58353	0.6
266.02170	0.7
270.05325	5.1
282.01727	1.5
283.02496	49.5
284.02948	4.5
297.04056	0.8
298.04843	100.0
299.02094	1.1
299.05127	9.5
301.39331	0.6
313.07196	87.6
314.04327	0.5
314.07553	9.3
314.15961	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81697	0.5
55.20940	0.5
56.04948	0.5
59.01373	0.8
69.88085	2.2
80.01845	0.6
98.20587	0.6
121.02979	1.0
132.02191	1.5
136.01669	1.1
137.02457	5.1
147.98502	0.5
160.01682	1.3
161.02431	4.8
169.06546	0.9
171.04512	0.6
183.04488	0.7
185.06071	1.7
197.06096	1.6
198.03235	0.8
199.04037	1.3
200.04816	1.4
201.05603	1.1
211.03983	1.4
213.05571	9.9
214.06213	3.0
223.04076	1.8
224.04877	0.7
225.05627	1.6
226.06406	0.8
227.03539	2.3
241.05063	5.0
242.05769	1.1
251.03696	0.9
252.04199	4.0
253.05014	3.1
254.02156	0.7
254.05876	0.8
255.03003	4.5
269.04587	7.4
270.05325	7.4
280.03635	1.0
281.04501	2.1
283.02557	2.1
297.04059	4.4
298.04843	100.0
299.05148	8.5
313.07196	13.4
313.20142	0.7
314.07458	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25742	0.3
62.88208	0.3
67.87064	0.3
70.29377	0.8
71.35620	0.3
73.02914	0.4
96.73655	0.3
98.92794	0.3
133.02986	3.2
147.00890	0.6
148.01680	0.5
149.99620	0.8
155.05054	1.2
157.02922	0.4
167.05035	1.2
168.26839	0.4
169.02966	0.4
171.04550	3.3
182.03714	1.3
183.04535	4.9
185.02483	0.4
187.04002	0.3
198.03230	1.2
199.04030	6.8
210.03270	1.1
211.04019	10.6
212.04472	0.7
213.01990	0.6
226.02724	2.4
227.03519	20.1
228.03853	1.7
237.14592	0.4
238.02718	1.0
239.03511	2.8
240.04025	0.4
242.01976	0.5
254.02289	1.3
255.03012	43.6
256.03381	4.1
266.02121	0.7
282.01709	0.6
283.02505	84.8
284.02869	7.8
284.06015	0.4
297.03915	0.3
298.04846	100.0
299.05185	9.5
313.07205	48.0
314.07596	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24488	0.3
59.01450	0.8
70.56280	0.3
71.02292	0.8
77.61865	0.3
80.30442	0.3
84.82846	0.3
91.02032	0.3
108.02289	0.9
109.03051	0.9
121.03094	1.1
123.00985	0.6
132.02303	1.2
133.03093	1.0
135.00967	0.5
136.01793	0.8
137.02460	5.1
137.99789	0.4
138.95125	0.3
160.01768	1.5
161.02467	3.6
167.05133	0.6
169.01555	0.4
169.06734	0.5
170.07416	0.4
171.04669	1.4
181.06769	0.4
183.04654	1.3
185.02594	0.3
185.06201	1.4
187.04059	0.8
196.05388	0.4
197.06187	1.1
198.03198	0.8
199.04005	2.6
200.04889	1.0
201.05695	0.9
203.43826	0.4
211.03957	3.4
212.04613	0.5
213.02454	0.4
213.05583	9.5
214.06268	2.8
223.04172	0.9
224.04926	1.1
225.05501	1.6
226.02846	0.5
226.06303	0.4
227.03522	4.8
228.04115	0.6
229.05017	0.5
239.03409	0.6
240.04147	0.4
241.05060	4.5
242.05725	0.6
251.03581	0.9
252.04277	3.9
253.05061	2.5
254.02319	1.2
255.03011	12.7
256.03424	1.1
265.80649	0.4
268.04071	0.5
269.04562	6.8
270.05347	10.5
271.05893	1.0
280.03824	1.3
281.04654	1.1
282.01685	1.3
283.02533	8.1
284.02826	0.6
285.04044	0.8
285.07629	0.8
297.04053	5.3
298.04837	100.0
299.05203	9.4
299.08658	0.5
313.03790	2.0
313.07178	40.6
314.07571	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36642	0.6
69.49220	4.2
71.91328	0.6
74.40567	0.7
85.03108	0.5
86.92100	0.6
94.51841	0.6
123.85263	0.6
130.71616	0.7
143.48239	0.7
176.01147	0.9
183.35373	0.7
211.03853	0.8
227.03366	0.7
255.03004	49.6
256.03290	4.6
267.03131	1.1
268.03769	0.8
269.04550	25.6
270.04886	1.7
283.02499	42.7
284.02841	2.2
295.02435	1.4
297.04050	60.1
298.04791	31.4
299.05164	1.9
313.07193	100.0
314.07526	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
65.00358	0.7
69.53251	1.3
69.53660	2.7
83.01460	0.7
84.65697	0.8
104.03771	0.6
107.01407	1.3
108.02184	1.2
119.01391	0.7
121.02970	61.6
122.03267	2.2
129.33366	0.6
133.02968	1.0
134.03580	0.6
135.00934	0.7
147.00928	0.7
151.00377	1.8
161.02499	1.5
164.18753	0.8
177.01967	0.8
181.06621	3.5
183.04546	0.9
211.03983	6.2
225.05605	4.3
226.06320	2.2
227.03510	4.2
239.03519	1.9
255.03003	44.0
256.03366	3.5
260.72522	0.7
267.03049	2.2
269.04599	2.2
270.05264	1.6
282.01630	1.7
283.02481	29.6
284.02835	2.4
297.03909	5.1
298.04849	47.2
299.05078	4.1
305.78635	0.7
313.07196	100.0
314.07529	10.6
314.89508	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0724
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
54.40762	0.2
65.00334	0.5
119.01420	0.4
123.00951	0.4
133.02962	2.6
147.00876	0.3
148.01601	0.5
149.99629	1.9
155.05043	0.8
167.05046	1.3
171.04430	0.5
174.06339	0.3
182.03712	0.4
183.04524	4.6
184.04909	0.4
185.02406	0.4
187.03957	0.4
195.04501	1.0
198.03281	0.7
199.04012	2.5
210.03319	0.4
211.04024	10.2
212.04384	0.8
214.06050	0.3
226.02742	0.5
227.03508	10.7
228.03862	0.5
229.05025	0.3
239.03514	3.4
241.01521	0.4
241.05244	0.3
242.05635	1.5
243.06497	0.2
254.02121	0.4
255.03011	45.1
256.03336	3.9
266.02136	0.4
269.04477	0.8
270.02032	0.5
270.05338	2.7
271.05975	0.4
282.01654	2.5
283.02509	17.6
284.02933	1.6
285.04507	0.3
285.07727	1.2
297.04056	3.8
298.04843	100.0
299.02069	0.6
299.05164	9.3
313.03912	1.8
313.07184	46.7
314.04266	0.4
314.07516	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	313.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00364	0.8
59.01148	1.2
59.01476	3.5
65.00042	2.9
65.00429	15.7
66.00892	0.7
66.01213	1.9
68.99915	1.1
69.24687	6.5
76.78722	0.6
83.01479	0.6
94.00719	1.1
100.83305	0.6
104.55988	0.6
106.00763	0.8
107.01534	0.9
110.00262	0.8
119.05096	0.6
121.03072	1.9
133.03004	0.7
135.00989	1.1
136.01750	0.8
149.02542	0.8
149.99605	75.6
151.00130	2.4
161.02504	0.8
163.00508	2.1
168.00719	1.4
174.03352	2.1
177.02040	1.0
183.01273	0.7
199.04063	1.0
205.17224	0.6
206.02278	1.3
211.04012	1.5
213.05605	0.7
217.17195	0.7
227.03496	1.6
239.03749	0.8
241.01456	0.7
241.05150	2.7
242.02223	0.7
255.02965	3.0
269.04587	4.8
270.01785	2.1
270.05124	1.8
272.48270	0.7
283.02475	3.6
284.02457	0.8
285.03827	0.9
295.16022	1.0
297.03934	4.0
298.04837	88.7
299.05145	8.7
313.03677	5.6
313.07175	100.0
313.14017	5.1
313.17258	1.8
314.07523	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	313.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
62.80119	0.3
65.00316	0.3
70.29549	0.7
70.29945	0.6
72.08960	0.2
83.38109	0.2
93.03472	0.8
98.20049	0.4
108.02182	0.3
113.96404	0.3
117.03486	1.1
121.02954	0.3
132.02203	0.3
134.08168	0.3
135.00922	0.7
135.68274	0.3
137.02333	0.4
141.03464	0.6
141.85164	0.3
143.05046	0.6
155.05051	2.1
157.03040	0.4
159.04486	0.6
160.98801	0.6
161.99628	0.7
163.00439	0.3
167.05028	6.0
168.05327	0.6
169.03003	0.8
171.04562	1.4
173.91501	0.3
175.04007	0.9
182.03783	0.6
183.04536	4.9
184.04861	0.4
185.02464	0.7
186.03229	0.6
187.04025	1.3
189.99120	1.1
195.04550	1.4
199.04010	8.5
200.04387	0.8
201.05592	1.1
210.03221	1.1
211.04016	16.8
212.04350	1.3
213.01941	11.3
214.02383	1.2
214.06308	2.0
225.05563	0.6
226.02769	0.7
226.06294	0.6
227.03528	4.9
228.04108	0.9
237.80878	0.3
238.02669	0.5
239.03519	6.6
240.03813	0.6
240.34167	0.3
242.05913	0.5
254.02238	1.2
255.03011	17.8
256.03366	1.3
269.04498	0.9
269.94507	0.3
270.05371	0.8
281.00986	1.7
282.01599	0.6
283.02499	44.6
284.02869	3.7
297.03851	0.6
298.04840	100.0
299.05179	9.4
313.07199	46.3
313.14633	0.4
314.07529	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	313.072
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.15980	0.7
52.90746	0.6
59.85924	0.6
71.00257	1.5
76.35683	0.6
93.03323	2.0
93.33129	0.6
107.04920	1.4
118.10340	0.6
132.02071	1.0
135.04362	2.8
141.03360	1.2
143.04973	1.4
155.04922	1.8
160.98701	1.9
161.99493	1.4
167.04947	0.9
171.04413	1.3
183.04526	3.7
195.04425	1.2
199.03995	5.6
211.04037	6.4
213.01704	0.7
225.08858	0.8
226.10046	4.3
227.01361	1.2
227.03511	15.8
227.10144	0.7
228.03798	0.7
237.01868	2.7
239.03519	10.1
241.12247	2.9
242.05925	1.1
254.05818	1.1
255.03015	18.0
256.03308	2.1
269.11826	1.2
282.01810	1.7
283.02499	37.0
284.02835	2.8
297.03976	1.8
298.04846	100.0
299.05209	8.6
313.07227	65.4
313.10770	6.3
314.07574	6.0
314.10989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
59.01374	6.1
70.80151	3.4
71.01019	1.8
71.01389	30.1
73.02941	1.7
74.02466	3.8
80.39095	1.1
85.02972	6.5
87.00882	3.0
88.04057	1.3
89.00342	2.3
89.02468	1.1
91.01888	2.0
93.03429	1.6
97.02958	4.1
98.02471	1.9
99.00893	1.6
99.14856	1.1
101.02401	1.7
104.81387	1.0
106.00601	3.9
109.02981	3.1
111.00912	1.5
113.02435	2.2
115.00407	11.0
115.04008	1.3
119.77363	1.3
121.02971	60.3
121.06601	3.4
122.03306	1.5
122.06142	2.6
123.00867	4.1
123.03276	2.2
123.04438	1.3
127.00255	1.1
132.04510	3.0
136.98735	1.5
138.03217	3.0
138.05586	6.5
138.09235	5.4
144.87621	1.1
147.04480	1.2
147.34331	1.1
148.04034	2.7
149.04599	2.7
149.06029	1.8
151.04024	3.3
153.05586	31.1
154.06017	1.3
165.05571	7.9
166.99931	1.8
167.10881	1.1
181.05032	1.1
181.08812	1.2
182.02245	6.0
182.08212	6.2
191.05643	11.3
194.17984	1.0
197.04564	100.0
198.04909	4.3
263.79529	1.2
269.08215	2.7
298.04703	2.7
313.09381	1.6
313.12949	5.4
314.12772	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29789	0.4
59.00412	0.5
59.01357	1.0
64.53983	0.4
65.00331	0.6
70.86105	0.7
70.86438	1.2
80.02671	1.1
91.01899	19.3
92.02221	0.8
93.03470	0.8
107.01382	2.0
108.01474	0.8
108.02185	10.9
109.02946	1.5
121.02969	6.9
123.00934	0.9
124.01730	0.5
133.02945	2.3
134.03728	0.8
135.00894	19.0
136.01698	5.4
137.02438	0.6
148.01694	4.5
149.02473	5.7
153.01990	2.8
161.02455	25.2
162.03058	1.5
163.04019	0.8
165.98466	0.5
178.99896	0.8
180.00627	2.0
183.04501	0.9
189.01961	1.1
199.03934	0.9
211.04021	1.7
212.04788	0.5
223.04062	0.6
225.05513	2.3
227.03444	2.1
239.03561	0.7
241.04991	1.3
242.05687	0.7
253.05061	1.2
255.03036	3.3
262.53952	0.5
269.04547	7.3
270.01758	1.0
270.05154	1.6
281.04626	0.7
283.02530	5.0
284.03067	0.7
285.03986	0.8
295.02524	0.6
297.04031	11.5
298.04776	11.7
299.05042	0.6
313.03824	5.4
313.07184	100.0
314.07584	9.9
327.95612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49015	0.4
51.04167	0.4
55.01876	0.8
55.35626	0.5
57.14266	0.5
58.00600	0.7
59.01114	0.7
59.01384	9.5
63.40365	0.5
65.00322	0.9
69.03459	0.6
69.50901	3.0
69.51300	0.6
71.01392	9.3
71.05013	0.8
72.99322	0.9
73.02956	2.7
73.59888	0.5
81.03448	0.6
83.01392	2.1
84.38579	0.4
85.02970	3.4
86.00103	0.6
87.00889	2.0
88.04028	0.8
89.02455	4.7
91.01870	0.5
93.03474	1.4
95.01405	8.3
97.02950	0.5
99.00832	1.1
99.04507	0.7
101.02448	6.8
107.01398	1.9
109.02945	1.3
111.00891	1.0
113.02462	4.4
115.00323	0.5
115.05611	0.5
117.03420	0.5
119.03513	1.3
121.03005	0.9
123.00898	11.2
124.01663	1.7
125.02425	1.0
132.02190	0.7
133.02962	4.5
135.04555	1.1
137.02426	1.1
139.11351	0.6
141.07101	1.2
143.03494	0.6
143.05049	1.5
145.02948	0.9
147.00891	1.2
147.04498	0.5
147.41824	0.5
148.01685	1.3
149.02415	1.3
151.00383	3.3
157.06619	1.5
158.03609	0.6
159.04573	0.9
161.02464	4.4
161.04558	0.6
163.04065	0.8
167.05042	2.0
169.01404	0.9
169.06609	1.6
171.04503	1.5
173.06091	1.3
175.00357	1.5
175.03931	1.0
176.01154	1.5
177.01888	1.2
182.03749	1.1
183.04541	3.3
184.05365	1.0
184.27371	0.5
185.02480	0.7
185.06078	4.8
187.04042	1.0
189.02040	0.6
195.04483	3.9
196.05280	1.5
197.06068	0.9
198.03221	0.7
198.17995	0.5
199.04059	1.9
201.05585	1.8
206.79559	0.5
211.04025	10.2
212.04636	1.1
213.01939	0.7
213.05562	4.7
213.07390	0.7
214.02834	0.7
215.03496	1.1
223.04005	1.5
226.02687	0.6
226.06389	3.3
227.03424	2.2
228.04201	0.8
229.05037	2.9
238.02597	0.9
239.03508	6.3
240.04128	2.7
241.01294	0.7
241.05112	4.8
242.02115	1.3
253.05092	1.9
254.05792	0.9
255.02971	7.9
256.03693	1.3
257.04593	3.9
266.02258	0.8
267.02988	4.6
269.04456	1.1
270.04779	0.9
283.02502	7.4
284.03241	3.7
285.04053	14.9
286.04538	1.3
295.02554	1.7
298.04822	12.9
299.05249	0.9
313.03586	100.0
313.07080	12.6
313.16760	1.4
314.03958	9.9
314.07321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
52.89175	0.8
57.03458	1.9
58.00596	0.8
59.01388	5.1
69.51791	1.8
69.52201	3.7
71.10673	0.7
83.05003	1.2
98.19934	1.8
99.08140	2.7
106.71596	0.7
109.51498	0.7
111.08170	0.9
113.09734	3.7
121.10213	0.9
125.09744	1.5
127.11320	1.5
129.09239	4.7
137.09807	0.8
139.11287	5.1
165.05565	0.8
165.12866	1.0
167.10756	1.1
167.14404	0.8
169.12344	2.9
171.10292	20.0
181.12325	3.3
183.10255	1.1
183.13889	2.1
185.11850	3.4
193.12402	3.9
197.11877	9.6
199.13431	4.8
201.11322	2.0
211.13417	17.3
249.22102	1.1
254.40472	0.9
265.21634	1.2
275.20184	2.2
283.06256	1.0
293.21249	22.6
294.21487	2.3
296.03333	3.9
297.03702	1.1
311.05606	3.1
311.22299	100.0
312.22638	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04993	0.8
57.03450	6.8
59.01384	9.2
69.03465	2.2
71.05038	0.9
71.54208	1.5
73.10665	0.9
79.89980	0.9
83.05015	1.2
84.30923	0.8
85.02953	2.1
87.04523	14.9
88.30191	0.9
88.75169	1.0
95.74722	0.9
97.02953	9.1
98.03286	4.8
99.03427	3.3
115.04020	1.9
120.09012	1.0
137.09718	2.2
138.10080	2.6
139.10349	1.4
151.07658	1.0
154.08934	1.2
167.59210	0.9
171.10289	2.6
172.10661	3.8
173.08240	2.5
173.10791	4.9
209.15450	1.2
210.15855	1.4
211.16042	2.6
213.13942	1.0
219.17137	0.8
223.17050	39.5
224.17441	2.6
235.17049	4.0
240.04213	1.1
250.02773	1.7
251.03505	1.4
253.01436	1.3
267.18814	1.3
268.03754	2.3
275.20044	4.4
279.03140	1.4
281.01001	7.2
282.01321	1.3
283.06134	2.1
291.19647	1.7
293.20563	15.7
294.21179	1.1
296.03287	15.6
297.03799	1.3
311.05658	12.5
311.17746	7.1
311.22150	100.0
312.19125	1.2
312.22528	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
59.01386	5.6
60.98309	1.0
69.03459	1.0
71.01992	1.3
71.02314	0.9
71.05035	0.9
83.05032	2.3
95.66565	0.9
97.02958	3.2
97.06597	2.2
99.08177	2.9
111.08134	1.2
113.09760	3.6
121.10246	3.7
122.45643	0.9
125.09734	2.3
127.11311	1.9
127.13466	0.8
137.09631	1.0
139.11308	7.3
140.11642	1.1
141.12901	1.1
151.11366	1.2
163.11195	1.2
165.12820	2.4
171.10289	26.3
172.10629	0.9
173.08232	1.0
175.11253	1.4
185.11806	2.3
193.12361	17.6
194.12656	1.2
197.11853	1.4
199.12358	1.7
211.13420	10.8
212.13795	1.2
249.22253	1.4
293.21259	25.5
294.21539	3.5
296.03259	2.3
303.30280	0.9
311.05704	1.4
311.22308	100.0
312.22598	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	311.2231
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.38352	0.8
57.03463	1.2
58.00618	0.9
59.01382	4.4
69.23668	1.0
71.00016	1.8
83.05031	1.1
89.75092	0.9
98.20489	1.0
99.08143	2.2
109.57935	1.1
112.85919	1.1
125.09690	1.7
127.11303	3.6
129.09227	3.0
139.11328	8.8
155.10770	3.0
171.10298	41.9
172.10687	1.4
181.12392	2.1
183.10265	4.1
183.13954	1.6
185.11867	4.2
197.11844	4.2
199.13425	1.3
201.11322	9.3
211.13437	8.0
265.21915	1.6
275.20172	5.3
293.21228	16.3
294.21390	1.5
296.03308	3.7
311.05658	4.4
311.22314	100.0
312.22607	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28140	0.9
54.67044	1.0
55.24532	0.9
57.03444	6.2
58.00595	2.6
59.01385	13.3
59.36539	1.0
68.15568	1.0
69.03459	1.6
69.57310	3.0
69.57726	4.0
71.05019	1.8
73.02975	1.0
78.33424	1.0
85.02950	2.8
85.06609	0.9
87.04514	12.7
97.02961	11.3
98.03274	5.8
99.03397	3.8
111.08134	1.2
115.04021	2.8
125.09768	1.2
127.07690	1.3
137.09760	4.2
138.10089	2.3
139.10298	1.2
141.82033	1.0
146.80901	1.0
157.92783	1.1
171.10229	5.5
172.10658	5.1
173.08270	3.0
173.10843	4.2
183.13893	3.6
201.11299	6.4
211.16020	2.0
213.14941	1.9
223.17056	32.6
223.19177	2.2
224.17557	1.8
235.17090	3.1
237.09200	1.3
239.03584	2.1
241.14455	1.4
250.02843	1.1
251.11430	1.6
253.01431	1.7
268.03790	2.2
275.20068	4.7
281.00955	7.3
283.06403	1.7
291.19510	1.8
293.20532	14.3
296.03265	19.9
297.03754	2.2
311.02203	2.0
311.05649	16.5
311.17694	6.6
311.22162	100.0
312.05933	1.2
312.22534	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2025
Annotation	Longithorone K
Peak:m/z	Relative Intensity
52.93891	0.4
59.01385	6.0
65.96563	0.4
73.02965	0.4
79.95784	1.4
81.95284	0.5
83.42644	0.4
84.91900	0.4
96.96010	0.9
98.95619	3.5
101.02432	0.5
119.05017	0.8
133.06619	2.4
148.13716	0.4
149.09731	100.0
150.10049	5.0
161.04546	0.5
170.00459	0.6
183.01218	44.7
184.01997	8.0
197.02818	1.4
216.00981	4.3
239.03484	0.7
239.07439	1.1
240.04346	0.5
251.11362	0.7
268.03815	0.8
269.19504	0.4
281.01001	0.6
296.03241	4.9
311.05719	4.6
311.16904	99.4
311.20248	51.9
312.06201	0.7
312.17194	10.0
312.20584	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	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.37760	0.5
57.03450	2.3
59.01387	17.5
71.01376	1.3
71.05020	1.0
73.02945	0.6
75.14640	0.6
83.05045	1.0
87.00878	0.6
95.05027	0.9
97.02999	1.0
97.06595	1.8
98.20660	1.4
99.08152	1.4
113.02488	0.6
113.09730	5.5
121.10222	2.7
123.04524	0.6
125.06138	0.7
125.09724	2.0
127.11300	2.0
135.04555	1.1
137.09720	1.5
139.11308	23.5
140.11644	1.4
144.74771	0.7
149.09731	0.6
153.09161	1.4
153.12848	1.6
155.10802	1.5
158.61972	0.6
159.04576	0.6
161.02455	1.9
161.04613	1.1
163.11307	1.3
167.10727	1.0
171.10280	39.0
172.10640	1.8
177.12866	0.8
179.10718	0.7
181.12329	1.9
183.01195	0.7
185.11874	3.8
187.07553	1.3
193.12347	0.8
193.46127	0.6
195.04362	0.9
195.13979	1.7
197.11832	0.9
199.13400	0.9
201.11331	3.1
211.04007	0.7
211.13354	4.0
217.16048	0.6
225.09181	2.3
226.09933	1.8
229.06035	0.7
235.17152	0.9
237.09193	1.9
239.03537	1.4
239.16518	0.7
240.04233	1.0
241.05016	1.3
241.12531	0.9
246.61122	0.6
249.22264	1.2
251.11392	2.3
265.21701	1.0
267.03027	0.8
267.14069	0.7
268.03931	3.2
269.04080	0.8
275.20157	2.0
278.13113	1.1
279.15964	2.3
281.00897	1.5
281.15457	10.0
282.15799	0.7
283.06091	1.4
293.12125	1.3
293.15524	11.9
293.21228	28.1
294.15778	1.3
294.21460	2.3
296.03271	13.2
297.03864	3.3
311.05643	12.6
311.12799	3.0
311.16550	16.7
311.22284	100.0
312.06155	2.3
312.16898	2.4
312.22681	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	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71970	1.2
59.01384	100.0
59.93843	1.1
60.01717	1.1
70.63124	2.2
78.87103	1.2
100.09708	1.2
111.78986	1.3
148.01706	1.5
173.84509	1.2
175.04085	1.2
192.17195	1.2
195.04561	1.3
239.03482	2.8
241.04749	1.4
251.16695	1.4
267.02963	1.7
268.03754	12.2
269.04092	1.9
283.06082	2.6
296.03271	32.2
297.03595	4.6
311.05649	27.2
311.09131	2.8
312.06024	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	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	46.7
64.29119	1.2
70.69266	3.5
94.58434	1.1
101.02429	2.0
108.44826	1.3
109.02932	1.6
117.03500	1.8
117.57513	1.3
121.02974	1.7
121.49376	1.2
161.02472	2.6
182.03661	1.3
183.04466	2.6
184.05281	1.7
185.02472	1.5
195.04506	4.9
211.03993	4.0
212.04811	2.8
223.04082	1.6
224.04793	2.0
226.02744	2.9
226.80139	1.5
227.03519	2.5
239.03502	9.5
240.04208	5.0
241.05048	7.3
251.11392	1.8
255.03000	1.7
266.02444	1.7
267.02948	4.8
267.06641	2.0
268.03864	8.3
269.04367	1.6
283.02670	2.4
283.06021	7.7
295.02530	2.3
296.03271	100.0
297.03757	11.9
311.01950	12.5
311.05603	52.7
311.09137	2.4
311.12814	1.5
311.18750	3.1
311.22147	2.0
312.02695	2.8
312.06039	11.8
314.20178	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	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71970	1.2
59.01384	100.0
59.93843	1.1
60.01717	1.1
70.63124	2.2
78.87103	1.2
100.09708	1.2
111.78986	1.3
148.01706	1.5
173.84509	1.2
175.04085	1.2
192.17195	1.2
195.04561	1.3
239.03482	2.8
241.04749	1.4
251.16695	1.4
267.02963	1.7
268.03754	12.2
269.04092	1.9
283.06082	2.6
296.03271	32.2
297.03595	4.6
311.05649	27.2
311.09131	2.8
312.06024	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	311.1867
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
57.31891	0.6
59.01376	5.1
59.26902	0.6
70.77237	1.5
90.33717	0.7
117.64512	0.7
121.02944	1.5
122.03775	0.9
133.03033	0.7
136.05275	0.8
161.02417	1.7
167.14380	2.1
169.66014	0.7
174.58664	0.7
207.17303	0.8
223.20677	2.1
237.09189	1.4
249.18593	5.5
251.11411	0.8
267.19681	100.0
268.03842	1.0
268.20041	9.7
275.16577	7.5
281.00739	1.0
283.02393	1.3
283.06000	0.8
293.17661	37.0
294.17825	3.5
296.03305	9.6
297.03815	1.4
311.01889	1.6
311.05563	6.0
311.18887	31.7
311.22101	4.0
312.06332	0.7
312.19266	2.9
329.87619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1656
Annotation	3-Oxosaprorthoquinone
Peak:m/z	Relative Intensity
52.70386	0.4
57.40831	0.3
58.71841	0.4
59.01389	6.0
64.01612	0.4
71.01391	0.9
71.54997	0.5
101.02422	0.5
101.04907	0.4
107.05039	17.0
108.05357	0.9
113.09718	0.9
125.02464	0.4
125.43092	0.3
135.04539	47.1
136.04863	1.8
139.11259	0.4
149.02422	0.6
149.06117	1.1
161.02463	0.8
161.04578	0.5
165.05598	0.5
178.53085	0.4
183.01221	0.7
195.04446	0.5
205.12360	1.1
225.09245	7.8
226.10005	47.8
227.10338	4.4
230.09569	0.4
237.09166	0.5
239.03568	0.7
241.12355	100.0
242.12692	8.4
251.11345	1.3
258.09247	0.4
268.03745	1.0
278.13229	0.5
281.00916	0.7
283.06281	0.6
293.15497	4.9
294.15759	0.8
296.03253	6.1
311.05649	5.6
311.16574	36.3
311.22064	9.3
312.05838	0.5
312.16916	4.5
312.22620	0.9
327.71381	0.4
334.83960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1656
Annotation	2beta-Hydroxyjatropholone
Peak:m/z	Relative Intensity
57.03462	0.6
59.01387	1.9
60.56319	0.2
60.65477	0.2
62.87640	0.3
67.01914	0.8
70.05122	1.1
71.01385	0.3
71.05029	7.0
79.01929	0.3
79.03740	0.2
90.99036	0.3
93.03484	0.6
95.01400	1.0
107.05059	2.6
107.36121	0.3
108.02216	0.3
109.02976	0.5
119.05016	2.3
120.02154	0.5
121.02990	1.0
122.03771	0.3
123.00916	2.9
124.01663	2.2
132.02202	0.3
134.03743	1.0
135.03513	0.4
135.04549	7.4
136.01634	0.4
136.04797	0.6
137.02441	1.5
137.06064	0.3
146.03778	1.2
147.04561	3.5
148.01689	0.6
149.02448	0.3
150.03270	0.3
151.03983	0.4
159.04555	1.0
160.05208	0.4
161.02469	4.0
161.06075	0.6
163.07686	0.8
165.01962	0.6
171.08177	0.5
173.06079	0.5
175.07642	0.5
179.03477	0.4
182.30362	0.3
183.04427	0.3
187.06001	0.3
187.07671	5.9
188.08191	0.4
189.09219	2.7
197.09669	0.4
199.07527	0.4
200.08424	0.4
201.09245	0.4
207.10278	12.1
208.10611	0.7
212.08469	0.5
213.13986	0.5
215.10808	1.2
223.07712	1.6
224.08330	0.8
225.09225	3.9
226.10004	8.5
227.03656	0.3
227.10512	1.4
233.11830	2.5
235.07622	0.6
237.09230	40.1
238.09900	11.0
239.10754	5.4
240.11250	0.5
241.12361	17.7
242.12743	1.6
251.09270	0.8
252.07973	3.1
253.01414	0.7
253.08398	0.4
253.12367	11.5
254.12779	1.3
256.07391	0.5
263.10855	0.4
263.14465	0.7
268.03571	0.5
275.14655	0.3
277.12375	2.9
278.13120	5.3
279.13858	2.5
280.11066	0.3
281.00934	0.8
281.11792	1.1
282.01779	1.4
283.02454	2.0
283.05780	0.5
291.13812	0.7
293.15503	32.4
293.20645	1.0
294.15845	3.7
295.13382	2.7
296.03333	3.5
296.14001	0.8
297.03711	0.5
309.14929	3.7
310.15173	0.5
311.02008	2.8
311.05685	2.6
311.16547	100.0
312.02438	0.3
312.06064	0.4
312.16888	10.8
325.14603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1653
Annotation	2beta-Hydroxyjatropholone
Peak:m/z	Relative Intensity
54.61411	0.2
55.27615	0.2
57.03448	0.7
58.55837	0.2
59.01384	4.0
60.03799	0.2
62.38703	0.2
65.51388	0.2
67.01888	0.5
70.22643	0.9
71.01389	0.4
71.05025	8.8
71.92899	0.2
77.03951	0.4
79.01904	0.4
79.05511	0.4
80.02680	0.2
81.03481	0.4
85.02949	0.4
93.03484	0.7
95.01389	1.4
101.02417	0.4
106.79018	0.2
107.05032	2.7
108.02187	0.7
109.02956	0.5
117.03440	0.6
119.05059	1.7
121.02956	1.0
122.03751	0.4
123.00900	2.4
124.01695	1.9
132.02168	0.3
133.02931	0.4
134.03758	0.8
135.04527	7.8
136.01575	0.3
137.02525	1.2
146.03749	0.9
147.04544	4.2
148.01717	0.6
148.05231	0.4
149.02422	0.5
149.06100	0.5
151.04033	0.5
152.01137	0.4
157.06702	0.3
159.04550	1.1
160.05304	0.7
161.02458	5.2
161.04512	0.3
161.06117	0.6
163.07620	0.7
165.01973	1.1
171.08167	0.8
175.07590	0.5
179.03503	0.6
183.04543	0.4
184.05096	0.3
185.02374	0.3
187.07663	5.7
188.08165	0.7
189.09238	2.2
195.04478	0.4
197.02576	0.3
197.09711	0.4
198.03224	0.8
207.10260	11.5
208.10629	0.7
211.04012	0.8
212.08313	0.4
214.06360	0.4
215.10811	1.0
223.07683	1.5
223.11229	0.3
224.08577	0.5
225.09253	4.2
226.02605	1.2
226.09998	6.2
227.03603	0.4
227.10571	1.3
233.11847	2.8
235.07732	0.9
237.09225	41.6
238.02708	0.3
238.09904	11.5
239.03578	1.0
239.10751	5.4
240.11197	0.3
241.05304	0.3
241.12361	16.1
242.12738	1.3
251.09172	0.6
251.11360	0.5
252.07918	3.2
253.01457	1.3
253.08386	0.5
253.12354	11.2
254.02144	1.1
254.12738	1.0
255.02869	0.4
256.07422	0.3
261.12842	0.6
263.10718	0.5
263.14514	0.4
267.03000	0.7
268.03772	0.9
269.04547	0.8
270.08942	0.3
277.12311	2.4
278.13080	5.1
278.16071	0.3
279.13800	2.1
280.11310	0.4
280.14288	0.4
281.00882	1.1
281.11771	1.2
282.01767	3.1
283.02472	4.7
283.06116	1.5
284.02905	0.5
291.13889	0.6
293.15503	34.4
294.15781	3.6
295.13409	2.9
296.03284	3.4
296.14032	0.8
297.03976	1.6
309.14938	3.2
310.15268	0.3
311.01947	5.0
311.05655	5.6
311.16531	100.0
312.02600	0.5
312.06329	3.0
312.16882	11.2
325.14499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1137
Annotation	Triandrin
Peak:m/z	Relative Intensity
50.22890	0.9
59.01386	100.0
60.01701	1.2
61.37354	0.9
61.39780	1.0
69.57884	5.0
71.01385	5.4
73.02950	2.9
75.29001	0.8
83.01419	1.4
85.02949	3.3
86.16827	0.9
89.02472	1.5
98.76844	1.0
99.00906	1.4
101.02457	5.4
113.02458	2.6
117.03503	1.0
134.03758	6.1
152.01149	1.1
161.04549	3.7
179.07153	2.8
188.87015	1.0
193.05002	5.5
229.79822	0.9
269.10175	2.6
281.09338	2.7
288.57962	1.1
293.09344	1.3
311.10571	5.5
312.10928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29814	0.7
59.01387	100.0
60.01703	1.3
63.85091	0.8
65.76504	0.6
71.01389	12.4
71.09150	1.6
73.02955	3.5
74.81338	0.6
74.97632	0.6
76.00603	0.8
80.20196	0.8
83.01402	1.4
85.02969	4.9
87.00912	0.9
89.02466	5.2
89.02940	0.8
95.01440	0.7
95.06163	0.9
99.00929	0.8
101.02437	11.0
113.02452	5.1
119.03551	1.1
122.06207	1.1
126.05580	0.7
131.03555	1.2
139.05145	0.9
150.05630	2.6
159.03049	1.1
161.04587	9.9
162.76501	0.7
196.10942	2.8
196.72105	0.8
251.11377	27.1
252.11551	1.0
268.13077	4.8
311.09921	2.9
311.13257	0.9
312.11011	1.4
312.15723	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	311.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99327	0.3
55.01878	1.5
57.03457	9.4
58.00599	1.8
59.01386	48.2
60.01714	0.9
61.41125	0.4
69.03469	2.5
69.81670	2.1
71.01391	32.1
72.99332	2.2
73.02954	6.5
75.00879	1.8
75.70957	0.4
83.01403	1.6
85.02964	8.2
87.00896	4.1
87.04526	1.7
89.02456	52.7
90.02797	0.9
95.01412	1.6
95.06165	1.5
97.18748	0.3
98.02517	0.4
99.00903	0.8
101.02457	33.4
102.02800	0.5
103.04042	0.8
113.02467	10.3
119.03521	11.1
122.06126	1.4
131.03519	20.6
133.05099	1.2
134.69229	0.4
136.07698	0.7
138.06779	0.6
139.05162	3.3
143.03537	1.6
148.05263	0.4
149.04576	3.9
149.08202	1.8
150.05621	3.0
161.04573	2.5
161.05832	0.5
163.06151	8.1
176.07173	0.4
179.05656	2.4
191.05745	0.4
196.10927	1.0
233.06609	0.4
251.07736	16.5
252.08086	0.6
268.13028	4.8
293.08701	0.5
296.03525	0.6
311.09869	100.0
311.12866	3.7
312.10373	5.5
312.15637	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	311.0986
Annotation	Vicianose
Peak:m/z	Relative Intensity
52.90077	0.9
55.01867	1.1
57.03453	11.7
58.00591	1.5
59.01383	35.5
69.03456	2.0
69.24303	0.7
69.24541	1.4
69.24939	3.4
71.01389	23.1
71.69353	0.6
72.99289	1.0
73.02952	5.2
75.00870	0.7
83.01352	1.5
83.88481	0.7
84.89137	0.6
85.02941	5.5
87.00887	1.9
87.04523	2.1
89.02453	49.5
90.02780	0.8
95.01382	1.3
98.20613	1.1
98.44909	0.7
99.00903	0.8
101.02450	33.5
102.02728	0.9
103.04004	0.8
106.22113	0.6
113.02443	7.8
119.03518	6.5
131.03516	20.3
143.03503	1.9
149.04564	7.8
161.04500	0.8
179.05618	1.0
251.07732	17.9
252.08113	1.1
311.09854	100.0
312.10205	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	311.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21691	0.5
64.13126	0.5
70.84366	1.7
93.19044	0.5
106.70622	0.5
123.00866	0.8
130.70148	0.5
147.00952	1.3
167.05048	1.6
183.04495	1.6
184.05196	1.2
187.04001	0.8
195.04578	3.8
196.05226	0.8
202.83781	0.7
211.03979	4.9
212.04774	2.1
215.03532	3.9
223.04065	0.9
224.04752	3.9
229.56049	0.5
239.03522	13.3
240.04265	5.6
243.02954	0.6
267.03012	7.9
268.03790	37.2
269.04196	3.4
295.02527	2.3
296.03281	100.0
297.03625	9.7
311.05634	86.0
312.05945	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	311.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.8
57.51487	1.2
58.00600	1.7
59.01383	80.2
60.01719	1.1
61.98579	1.3
67.02246	1.2
69.03452	4.3
71.01387	46.4
71.15930	1.4
71.16261	2.3
72.15116	1.4
72.99287	2.0
73.02943	9.4
75.00865	2.9
81.70292	1.1
83.01393	2.0
85.02953	8.8
87.00877	6.5
89.02452	57.1
93.03461	1.8
97.02959	1.7
99.00881	2.8
101.02452	31.8
103.03985	3.2
105.00957	1.1
108.02148	1.8
113.02465	12.7
114.02681	1.3
119.03526	12.2
123.04545	2.8
125.06061	1.3
131.03514	15.7
133.05066	1.8
134.03639	1.3
143.03430	1.5
149.04570	30.4
151.04027	2.1
161.04514	3.3
163.06169	12.7
172.05260	1.8
179.05681	3.1
235.43860	1.5
249.07602	1.8
251.07718	8.5
251.11368	2.9
268.12979	3.1
296.03027	1.5
311.09805	100.0
312.10226	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	311.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04404	0.3
59.01381	2.2
63.17715	0.2
65.00330	0.5
65.14678	0.2
69.48651	1.9
91.01905	1.8
95.30309	0.2
98.19980	0.7
103.08935	0.2
106.04475	0.3
108.02159	0.4
119.82566	0.3
132.02176	1.6
133.03024	0.5
135.00902	4.0
145.02959	0.3
147.00908	0.3
148.01698	0.7
148.11343	0.3
153.01961	0.8
154.04265	0.6
158.03725	0.5
160.01704	0.3
161.02463	0.8
167.05026	0.7
169.02896	0.3
176.01183	0.3
182.03746	3.3
183.04417	1.2
184.05287	1.1
185.02487	1.1
187.03775	0.3
189.01997	0.3
192.17442	0.3
194.03748	0.4
194.05492	0.3
195.04520	5.3
196.05278	1.7
197.02495	0.9
198.03233	2.2
199.03963	0.7
200.04810	0.4
210.03268	1.3
211.04016	7.8
212.04648	1.6
213.01968	0.6
213.05452	0.3
214.02682	0.3
223.04015	5.3
224.04773	5.2
225.01938	0.5
225.05386	0.3
226.02589	0.3
227.03458	0.6
238.02831	1.9
239.03500	11.2
240.04260	6.8
241.04820	0.6
251.03505	2.3
251.11374	0.3
252.04259	0.8
255.02988	0.4
266.02203	2.2
267.03000	32.8
268.03723	21.4
269.04068	1.4
279.02911	0.3
281.00894	0.3
282.05463	0.3
283.02979	0.4
283.06155	3.4
284.06506	0.3
295.02493	19.4
296.03247	30.5
297.03650	2.6
311.05624	100.0
312.05969	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	311.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13676	0.1
51.46134	0.1
56.12796	0.1
57.74800	0.1
58.84133	0.1
59.01375	0.5
65.00335	0.2
69.36916	0.9
86.75761	0.1
95.05042	0.1
104.27992	0.1
108.02210	0.1
117.03487	0.1
121.02964	0.7
123.04523	0.2
125.43894	0.1
131.01422	0.2
132.02191	0.4
133.02965	0.5
135.00905	0.1
143.05081	0.2
149.99570	0.4
152.69980	0.2
155.05072	0.2
156.05814	0.3
159.00870	0.2
160.01663	0.2
161.02467	1.9
167.05066	1.3
168.05667	0.2
171.04565	0.2
175.00410	0.2
182.03793	0.3
183.04507	1.3
184.05307	1.0
187.04022	0.3
195.04527	3.7
196.05177	0.7
196.66245	0.1
197.02518	0.1
210.03217	0.5
211.04031	3.9
212.04781	2.6
213.01987	0.2
213.05251	0.3
215.03540	0.6
223.04010	2.2
224.04770	2.2
225.05460	0.2
238.02892	0.2
239.03514	7.3
240.04260	3.6
241.04768	0.3
250.02696	0.2
251.03487	0.6
252.04195	0.6
255.03044	0.1
266.02191	0.5
267.03012	4.1
268.03745	3.6
269.04239	0.5
283.06210	0.2
293.00870	0.3
294.01685	0.2
295.02502	2.5
295.05707	0.2
296.03278	100.0
297.00189	0.3
297.03632	8.6
311.05634	32.9
312.05969	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	311.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63979	0.3
59.01384	2.3
65.40749	0.3
71.01414	0.5
88.77925	0.3
91.01894	2.2
106.35542	0.4
108.02150	0.5
117.03441	0.6
118.14132	0.3
132.02188	1.8
133.02994	0.5
135.00905	5.3
148.01649	0.7
153.01949	0.7
154.04225	0.8
158.03784	0.7
160.01740	0.4
161.02444	1.1
167.05034	1.0
170.03763	0.6
180.05923	0.4
182.03734	3.2
183.04462	1.5
184.05283	1.0
185.02467	0.8
194.03749	0.5
195.04503	5.2
196.05319	1.9
197.02386	0.5
198.03210	2.4
199.03983	1.0
200.04703	0.4
210.03235	1.4
211.02159	0.6
211.04015	6.9
212.04742	1.3
214.02629	0.8
223.04008	4.3
224.04779	5.4
225.01973	0.4
227.03479	0.7
238.02776	2.0
239.03485	10.5
240.04243	6.7
249.02151	0.4
250.02870	0.4
251.03494	2.3
252.04210	1.0
266.02155	2.2
267.02991	33.8
268.03726	19.2
269.04108	1.2
283.06226	3.6
295.02490	19.9
296.03256	30.7
297.03586	2.5
301.97928	0.4
311.05624	100.0
312.05960	8.5
313.95963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66856	0.3
58.81808	0.3
59.01378	1.8
60.29195	0.3
63.45662	0.3
65.00340	0.4
67.58099	0.3
69.36559	0.3
69.44678	2.2
75.50937	0.3
80.59976	0.3
91.01892	2.0
98.20678	0.5
108.02160	0.5
109.02995	0.3
121.03001	0.3
132.02182	1.7
133.03065	0.3
135.00902	4.1
145.02963	0.6
147.00928	0.6
148.01680	0.7
153.01955	0.9
154.04257	0.7
155.86470	0.3
158.03799	0.5
160.01697	0.5
161.02420	1.0
164.34837	0.3
167.05035	1.0
170.03731	0.4
176.01073	0.6
182.03757	2.7
183.04494	1.3
184.05267	0.8
185.02477	0.9
186.03131	0.3
189.01881	0.4
194.03758	0.3
195.04517	5.4
196.05214	1.4
197.02499	0.5
198.03220	1.9
199.03938	1.2
200.04762	0.5
207.04614	0.4
210.01385	0.3
210.03044	1.5
211.04013	7.2
211.07454	0.3
212.04636	1.3
213.01898	0.6
214.02550	0.4
223.04018	5.2
224.04796	5.4
224.36340	0.4
225.01941	0.7
227.03526	0.5
238.02702	1.4
239.03496	12.0
240.04260	6.7
241.04637	0.5
249.02068	0.3
250.02568	0.6
251.03477	2.6
252.04178	0.9
253.05130	0.5
254.01984	0.3
265.01324	0.3
266.02148	2.2
267.02991	34.7
268.03735	20.1
269.04178	1.7
279.02951	0.7
283.02863	0.6
283.06088	3.8
284.06549	0.4
294.99823	0.3
295.02475	21.1
296.03256	31.1
297.03589	3.1
311.05621	100.0
312.05954	9.9
312.08707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.5
60.34562	0.3
62.94217	0.3
63.20147	0.3
65.16441	0.3
66.61727	0.4
70.62791	0.8
70.63145	0.5
85.08784	0.4
184.89546	0.4
188.38065	0.4
195.04662	0.5
197.02412	1.3
220.51343	0.4
253.01439	33.1
254.01689	2.2
267.02914	0.7
281.00940	100.0
282.01315	8.8
295.02530	1.2
296.03290	43.9
297.03595	4.1
311.05646	38.6
311.22113	0.7
312.06009	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	311.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.6
65.00320	0.2
69.37319	1.3
83.01356	0.2
93.03494	0.2
117.03456	0.3
121.02974	0.5
131.01422	0.3
131.43480	0.2
132.02199	0.6
133.02972	0.6
134.59814	0.2
149.99591	0.3
155.05060	0.2
155.45793	0.2
156.05875	0.3
157.06171	0.2
160.01604	0.2
161.02451	2.4
167.05003	1.2
171.04506	0.3
182.03728	0.4
183.04524	1.5
184.05273	0.9
185.02466	0.2
187.04079	0.2
195.04495	3.4
196.05110	0.6
210.03262	0.6
211.04027	3.1
212.04774	2.8
213.02115	0.2
215.03447	0.6
223.04024	2.5
224.04779	2.0
230.17555	0.2
238.02777	0.3
239.03514	6.8
240.04253	3.6
251.03583	0.5
252.04297	1.0
266.02325	1.0
267.03006	4.0
268.00870	0.1
268.03769	3.7
269.04291	0.3
283.06226	0.3
294.01532	0.2
295.02484	2.7
296.03278	100.0
297.00201	0.4
297.03619	9.1
311.05630	37.1
312.05963	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03527	0.1
53.80296	0.1
59.01385	0.4
63.02422	0.1
65.00330	1.1
65.03932	0.1
68.99815	0.2
69.25543	0.9
75.02424	0.1
77.03972	7.4
78.04299	0.3
79.01897	4.7
81.03457	0.2
83.01397	0.4
87.02435	0.2
89.03978	0.1
91.01927	0.2
91.05491	0.2
93.03462	4.8
94.03809	0.1
95.01398	0.3
95.05022	0.4
97.02976	0.6
103.01908	0.2
105.03466	1.8
107.01398	0.9
107.05037	0.2
108.02180	0.2
109.02959	0.2
117.03474	21.5
118.03804	0.8
119.01368	0.1
119.04259	0.2
119.05038	2.3
121.02966	5.8
122.03345	0.2
123.00878	0.2
123.04534	0.3
125.02446	0.9
129.03464	0.1
130.04250	0.1
131.01381	0.3
131.05032	0.3
133.02945	0.4
134.03752	0.3
135.00900	0.4
135.04539	5.5
136.01675	0.2
136.04865	0.2
137.02438	0.6
141.03496	0.2
143.05061	0.3
145.02953	1.0
146.03723	0.2
147.00883	0.2
147.04514	0.5
148.01656	0.7
149.02451	2.5
151.00400	0.1
155.04987	0.4
157.06569	0.2
158.03758	0.4
159.04530	4.2
160.04951	0.2
161.02451	5.6
162.03000	0.4
163.00398	0.6
163.04019	6.2
164.01195	0.1
164.04337	0.3
165.01935	2.1
166.02232	0.1
167.05080	0.2
168.05894	0.2
169.06609	0.9
171.04567	0.5
171.08171	0.3
173.02428	0.5
173.06070	0.5
175.00339	0.5
176.01164	0.1
177.01897	0.1
180.05788	0.4
181.06589	0.4
182.03758	0.9
182.07333	0.1
183.04529	1.2
183.08131	0.9
184.05109	0.1
185.02470	0.2
185.06100	0.3
187.07652	0.2
189.01926	0.4
190.02713	0.2
190.99844	0.2
191.03511	1.8
192.04076	0.1
193.01434	1.0
193.06580	0.4
194.07463	0.2
195.04535	0.7
195.06187	0.1
195.06459	0.1
195.08192	0.8
196.05287	1.1
197.06091	2.1
198.06448	0.2
199.03986	0.3
201.05595	0.2
203.03484	0.5
208.05327	0.1
209.06093	0.5
210.06836	0.5
211.03981	0.3
211.07643	2.0
212.07976	0.2
213.05582	0.4
215.07132	1.1
217.01401	0.3
221.06075	0.3
223.03990	0.1
223.07574	0.1
224.04778	1.4
225.05545	0.7
226.02602	0.1
227.03496	0.2
227.07149	0.3
237.05652	0.7
238.06229	0.6
239.03433	0.2
239.07162	3.4
240.04280	0.6
240.07477	0.3
241.05028	0.8
243.06664	0.4
253.05125	0.7
254.05661	0.2
255.06593	0.5
256.03995	0.1
264.04248	0.2
265.05188	0.4
267.03052	0.3
267.06705	0.3
268.03778	4.4
269.04352	0.5
281.04572	2.0
281.09219	0.2
282.05334	1.9
283.06125	69.4
284.06470	5.9
284.09711	0.2
293.04575	1.8
294.05017	0.1
309.04068	0.7
311.05615	100.0
312.05954	9.2
312.09717	0.2
314.04224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44286	1.9
56.53832	1.6
57.03443	3.8
59.01390	9.6
67.01894	1.9
69.03430	2.0
69.46945	13.0
71.01375	3.5
71.05017	2.0
72.99307	17.5
73.02925	2.0
73.60535	1.5
75.00874	4.6
80.02694	8.2
80.20966	1.6
81.03448	4.6
83.05043	21.5
84.02161	7.8
84.16589	1.7
95.05038	2.0
96.95978	3.6
97.02942	2.0
97.06605	3.4
98.73322	1.7
99.00861	2.3
99.08139	5.6
109.06599	2.3
110.03680	1.8
111.08183	2.0
113.02435	1.8
113.09683	1.8
115.07634	2.8
123.04475	2.4
123.08167	3.1
125.09737	2.4
126.32442	1.7
127.11271	4.6
137.08794	2.8
137.09746	39.1
139.11256	6.9
150.09857	1.7
151.03915	6.5
151.07635	11.9
151.11263	4.2
152.08463	9.9
153.09145	5.1
155.09648	2.3
155.10799	38.1
161.04527	2.2
171.10272	39.4
177.12944	1.6
179.97394	1.8
193.12325	18.3
195.13901	2.0
197.26006	1.7
198.77054	1.8
203.07133	2.4
209.11780	3.5
209.15477	16.0
211.07510	5.6
211.13332	3.4
223.07607	4.2
225.05539	2.6
237.09181	2.8
239.07033	6.2
247.20708	4.2
251.07127	4.1
251.10739	5.9
263.20096	6.6
265.17957	3.6
265.21597	8.0
277.12198	2.9
279.10349	2.6
279.13696	2.6
281.04691	2.3
281.15427	2.3
291.19681	77.8
292.19849	5.7
294.12689	16.8
295.12744	1.7
309.04077	5.4
309.14294	21.3
309.17325	15.0
309.20612	100.0
310.15256	2.3
310.21024	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10234	0.5
56.08216	0.4
57.03441	2.1
59.01378	1.0
61.35018	0.4
68.67465	0.4
69.03463	0.7
69.36807	3.6
70.85503	0.4
71.71026	0.5
72.99314	1.2
73.02966	0.6
83.04997	0.6
98.19874	0.9
99.08168	1.5
111.08151	1.5
121.10242	0.7
125.09720	0.6
137.09720	0.6
139.07605	1.0
149.59534	0.5
151.07701	1.1
152.08386	1.3
155.10788	2.3
167.14456	1.1
171.10312	1.0
185.11804	1.0
197.11810	1.1
209.15448	2.3
245.19270	0.5
247.20515	0.8
251.07379	0.6
263.20163	16.2
264.20483	1.0
265.18179	0.5
265.21753	1.5
283.48080	0.5
285.92358	0.5
291.19699	3.4
294.12561	1.4
309.20715	100.0
310.21060	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36716	0.5
52.92139	0.5
53.93650	0.4
55.03576	0.5
57.03442	1.7
57.70707	0.7
59.01376	4.0
69.03465	0.9
71.01374	0.7
72.99316	1.4
78.24529	0.5
83.05038	1.7
92.92780	0.6
96.95995	1.2
109.06557	0.8
111.08165	1.7
113.09700	0.9
121.10242	7.9
121.51826	0.5
123.08154	2.1
123.20573	0.5
125.09724	1.0
135.11821	2.8
137.09726	0.9
141.09212	2.9
147.06755	0.7
149.13326	1.2
149.36191	0.5
151.03998	1.5
151.07663	2.0
152.08424	1.6
153.09171	0.9
153.12813	1.3
155.10783	1.9
167.14424	0.5
171.10301	0.9
187.09766	9.6
189.16479	1.9
197.11874	0.8
209.15533	3.0
211.07582	1.1
220.50426	0.5
223.07727	0.7
225.05606	0.8
239.07135	1.2
245.19081	2.4
251.07126	1.4
252.10007	0.6
263.20172	2.2
265.18170	1.1
282.66815	0.5
291.16312	0.6
291.19659	10.9
292.20074	0.8
294.12469	2.7
295.12875	0.6
309.17380	5.0
309.20700	100.0
310.17566	0.8
310.21057	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.23631	1.2
57.03448	4.4
59.01111	2.0
59.01384	29.6
65.64731	1.1
69.03451	2.0
69.07843	1.1
69.54566	2.2
69.54974	5.1
71.01373	3.6
71.05033	15.2
75.30843	1.3
76.29099	1.2
83.05018	2.2
84.83717	1.4
85.06583	3.1
87.04530	2.6
95.05019	1.3
96.96026	3.3
97.02951	2.7
99.08180	10.2
109.04081	1.3
109.06599	5.5
111.08192	9.3
115.04024	50.2
116.04330	1.3
121.10272	3.5
127.07690	4.0
129.09221	7.0
135.11804	26.4
136.12154	1.6
137.09772	1.5
147.11821	1.7
155.07135	3.9
171.10295	1.8
173.08205	85.1
174.08534	2.8
175.14905	6.0
179.14584	1.3
179.80695	1.2
183.56868	1.3
195.13850	2.9
221.15530	2.3
223.13368	2.2
229.19664	6.6
239.45026	1.3
247.20758	1.3
250.02695	2.7
251.16330	1.7
265.18011	2.0
273.18588	6.5
281.04486	1.4
291.19681	41.5
292.19974	4.5
309.04440	6.4
309.20734	100.0
310.21048	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03444	2.7
59.01384	9.1
59.25515	0.9
67.05212	0.9
69.03465	1.2
69.72152	0.9
69.79191	0.9
71.01380	3.4
71.05027	15.6
71.55064	1.5
73.02953	4.5
78.29755	0.8
79.17797	0.9
83.05026	3.7
84.15315	0.9
85.02956	1.4
89.02431	1.4
93.03418	1.1
95.05029	1.6
96.95986	3.1
97.06588	6.1
98.81380	1.1
99.04469	1.0
101.02460	2.2
107.05021	2.6
109.02949	1.0
109.06624	1.2
111.08111	1.5
113.02478	1.0
113.85314	0.9
119.08665	0.9
121.10216	3.6
123.08099	1.4
125.06128	1.2
125.09726	4.1
135.00833	1.1
137.09734	18.6
139.11288	1.1
155.10793	2.8
161.04570	1.1
163.00322	1.2
171.10281	46.8
172.10678	1.6
181.12410	1.4
183.13928	5.0
185.11813	6.9
193.12419	0.9
195.13898	2.2
197.11810	1.1
205.12170	0.9
207.13892	1.6
209.11766	2.1
211.13380	2.0
219.13948	2.1
223.13339	3.4
233.15466	2.4
235.17143	2.3
237.14879	3.2
247.20659	2.6
251.16550	15.6
252.17116	0.9
265.08810	2.1
265.18158	2.4
268.03677	1.4
273.18707	2.1
291.19672	62.5
292.19998	5.5
309.03934	2.8
309.07510	2.5
309.11066	1.9
309.20712	100.0
310.01218	2.9
310.21054	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01846	1.0
58.00588	1.4
59.01379	1.7
60.41505	0.8
69.03466	1.3
70.58971	2.4
80.70307	0.9
111.08173	28.6
112.08504	1.4
119.16927	0.9
127.07724	1.9
141.09245	0.9
151.11365	1.3
153.12889	1.7
169.12350	6.3
171.10204	2.5
181.12340	1.5
183.13901	1.3
194.77617	1.0
197.11842	100.0
198.12193	5.8
199.13420	3.9
211.13423	13.0
227.12901	2.5
262.70633	1.0
263.20135	6.5
265.18057	2.3
273.18619	2.5
291.19687	17.7
292.20084	2.1
309.20752	32.4
310.21051	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40064	1.5
57.03450	1.9
59.01372	2.1
69.03452	1.7
69.98222	4.9
69.98626	3.1
83.89254	1.4
95.65978	1.4
97.06583	1.5
99.89359	1.6
109.06562	1.4
110.10198	1.3
111.08174	36.3
112.08495	1.4
118.83581	1.3
125.09749	1.9
127.07640	2.5
137.09740	2.9
169.12352	5.1
171.10272	5.8
172.31181	1.4
181.12350	1.9
185.91718	1.4
193.12491	1.9
197.11842	100.0
198.12199	5.0
209.15421	8.2
211.13420	10.6
225.14929	2.3
227.12897	4.7
251.16528	5.4
263.20111	5.6
265.18021	1.8
273.18622	2.7
291.19675	30.9
292.20215	2.4
309.20709	40.6
310.21106	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80330	1.5
52.36979	1.8
57.03460	12.3
59.01365	5.7
65.00696	1.5
69.03440	8.7
70.92381	4.5
71.05022	2.5
77.19212	2.0
97.02960	13.3
97.06595	2.0
99.00891	17.2
107.08642	2.4
108.02164	4.9
110.67059	2.0
111.08167	4.8
117.03467	2.9
119.08675	13.5
121.10213	6.5
123.08174	2.1
125.09699	4.2
127.11310	2.7
130.04256	4.4
131.05025	2.2
132.02208	2.6
135.00841	6.1
135.11790	3.4
137.09743	28.5
138.10078	2.0
145.02982	14.6
147.04510	13.8
151.03995	5.9
151.07584	8.5
151.11278	3.0
152.08461	9.7
155.10788	2.7
157.08644	3.2
163.00334	4.6
165.12849	4.1
167.10703	2.7
171.10284	76.7
172.05226	4.1
172.10551	4.1
175.04034	5.0
180.39828	1.8
183.08168	2.9
183.10191	3.1
184.07370	2.2
185.11818	21.6
187.07585	27.2
187.09691	9.2
193.12361	3.2
197.11838	5.2
199.07706	11.3
201.11270	5.2
205.39287	2.1
209.11874	2.6
209.15471	24.0
211.13411	4.2
213.09143	5.4
213.11307	7.0
217.05057	6.3
221.09665	7.3
223.13432	2.3
229.19531	2.9
235.07649	5.7
236.08379	5.7
242.75948	1.8
245.09717	2.2
245.19046	3.2
247.20657	3.1
251.10680	12.7
252.09880	3.0
261.12915	14.7
263.14380	2.8
265.08673	4.4
265.18057	3.2
273.18613	10.4
275.10815	42.0
276.11325	6.2
291.13956	98.9
291.19601	69.0
292.14377	9.6
292.19952	6.0
305.11731	16.7
309.11487	2.6
309.17035	17.7
309.20645	100.0
310.17712	2.3
310.21011	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.1
59.01378	2.8
62.47738	1.2
69.03460	2.9
69.75799	3.1
69.76196	3.9
71.05014	2.4
75.69823	1.4
83.05029	4.6
85.06587	3.7
87.04524	3.0
97.02953	9.2
97.06574	2.3
109.06577	3.6
111.04565	2.5
111.08174	3.0
125.09730	1.6
127.07675	1.9
156.05338	1.6
165.12840	4.0
167.10870	1.6
171.10327	2.9
177.12749	1.4
179.14384	4.1
180.11401	1.4
181.12355	1.6
183.13876	1.4
193.12321	2.7
195.13911	21.4
203.25903	1.6
205.12320	2.8
209.11780	1.7
211.13327	2.1
221.15512	23.8
222.15721	2.8
223.13387	10.0
227.13005	2.4
229.19560	1.7
233.15334	1.6
235.17065	1.7
239.16536	6.6
247.20692	7.0
251.16568	1.8
265.37787	1.4
273.18600	4.7
281.21347	1.8
291.19675	97.0
292.20013	10.2
309.20724	100.0
310.21155	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.41154	2.1
56.59818	1.8
57.03452	4.2
59.01393	11.0
69.03470	3.1
69.99995	8.8
71.05025	34.2
83.05037	2.2
92.28617	2.0
97.06581	10.3
107.05045	2.2
121.06563	1.9
121.10225	7.9
123.08179	2.7
125.09721	10.5
137.09737	37.3
140.69807	1.9
143.01553	2.3
171.10297	93.5
172.10637	3.3
185.11806	14.3
195.13939	3.1
197.11725	3.6
219.13922	6.1
221.15437	1.9
233.15440	4.8
235.17032	4.8
237.14926	5.8
239.16495	5.3
251.16547	31.6
252.16875	3.4
291.19693	100.0
292.20181	9.4
309.20752	87.5
310.21350	10.0
313.43091	1.9
333.73126	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.19967	1.1
57.03459	1.6
57.10632	1.2
57.30819	1.1
59.01389	18.4
67.01890	2.3
69.52882	2.8
69.53297	5.4
71.05025	2.3
83.05030	1.3
87.59409	1.3
97.06590	1.9
107.23703	1.2
121.10258	10.0
123.22268	1.1
125.09747	6.5
137.09740	4.0
150.58093	1.1
152.60727	1.1
153.85542	1.2
167.14426	1.8
171.10281	6.9
185.11852	9.6
197.11844	3.1
211.13411	63.9
212.13789	3.4
223.07693	2.1
235.07573	5.8
251.16418	1.3
275.10840	1.8
291.14301	3.1
291.19690	100.0
292.20056	7.9
309.15070	11.8
309.20667	10.4
310.01245	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	309.1499
Annotation	Myricarborin
Peak:m/z	Relative Intensity
55.01904	0.8
64.36768	0.7
67.01954	1.3
78.73117	0.7
89.72690	0.6
97.56139	0.6
99.22353	0.6
107.24982	0.6
110.37664	0.6
143.05141	0.7
147.60834	0.7
153.07204	0.8
160.05409	0.6
165.07150	1.3
175.07712	1.5
193.06668	0.7
195.04506	0.8
195.08223	1.8
197.06114	12.7
197.07816	1.2
198.06599	0.9
203.07152	5.1
208.05392	1.9
209.06093	3.2
210.06898	8.2
211.07655	38.3
212.06149	0.9
212.07935	3.3
221.06111	4.7
222.06871	1.7
223.07669	26.3
224.04863	0.8
224.08217	3.5
225.05588	29.4
226.06055	2.7
233.05975	1.0
234.06760	0.9
236.08504	1.4
237.05602	1.5
238.06285	2.7
239.07141	34.2
240.07880	17.8
241.08395	0.8
249.12843	0.9
251.07146	36.3
251.10896	1.5
252.07445	3.5
259.11328	1.4
261.09213	1.8
262.09961	0.8
263.10764	0.8
265.12372	3.9
266.12775	2.3
275.10880	1.9
276.11505	8.1
277.12326	19.7
277.15225	1.2
278.13022	5.7
279.10385	2.2
279.13889	16.9
280.14307	2.2
293.11835	11.7
294.12616	100.0
295.12930	10.5
308.14111	1.4
309.14948	63.6
309.20212	7.2
310.15335	7.1
310.20920	0.8
316.13177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1194
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.62934	1.0
55.01866	1.8
55.86580	1.1
58.00596	3.4
59.01382	100.0
69.91972	5.8
71.01387	44.2
72.99299	3.5
73.02944	1.5
76.67796	1.0
83.01402	1.9
85.02960	10.6
87.00900	2.4
89.02451	51.2
89.08307	1.0
95.01379	3.4
101.02453	30.2
113.02460	19.7
119.03516	22.5
129.05598	3.1
131.03471	1.6
143.03520	1.9
147.06630	1.7
149.04630	1.8
161.04546	2.6
179.05603	3.1
188.87668	1.1
216.80664	1.1
309.11923	85.4
310.12338	5.5
315.00070	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	309.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90584	0.7
55.01878	2.2
57.03443	1.1
58.00592	1.8
59.01386	46.6
66.15528	0.7
69.03439	0.8
69.69360	4.8
71.01390	30.0
71.05008	1.8
72.01746	1.0
72.99308	1.5
73.02966	6.2
77.51109	0.8
82.97109	0.7
83.01393	3.0
85.02963	14.8
87.00874	1.6
89.02451	17.0
95.01375	2.2
99.00900	1.8
101.02456	20.9
101.06089	12.3
101.06700	1.4
110.27708	0.8
111.04515	1.0
113.02459	11.5
119.03512	7.5
129.05602	16.0
131.03493	0.9
143.03510	1.3
147.06648	45.7
148.06911	0.8
155.87209	0.7
159.03029	0.9
161.04562	6.7
179.05557	1.2
309.11923	100.0
310.12286	5.1
331.47095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.15
Annotation	Myricarborin
Peak:m/z	Relative Intensity
57.03428	3.1
57.48264	1.2
59.01365	5.8
63.59776	1.1
68.99834	1.8
71.01392	1.8
71.54967	2.4
72.99311	1.4
83.05021	1.3
96.96026	3.0
97.02932	1.6
99.00857	1.8
111.08145	2.9
117.03448	2.0
121.02937	1.8
123.08136	1.4
130.88420	1.2
133.02899	1.2
137.09676	4.6
151.03963	4.2
151.07645	6.1
152.08353	4.5
155.10756	1.6
161.02396	1.9
165.07004	1.8
171.10219	4.1
173.05823	1.5
175.07541	1.9
176.04572	1.4
177.05058	2.3
180.04366	1.9
185.06061	1.7
195.08104	2.4
197.06110	10.8
197.11812	6.3
203.07164	5.9
208.05183	1.9
209.05986	4.1
209.11714	2.8
209.15489	7.9
210.06845	10.1
211.05728	2.0
211.07663	37.0
211.93706	1.1
212.07976	2.9
221.06036	4.9
221.15388	1.7
222.06654	1.9
223.07649	26.0
224.08224	3.9
225.03531	1.9
225.05580	28.4
226.05986	2.3
232.09851	1.3
237.05620	2.6
238.06250	3.2
239.07144	48.3
240.07852	19.6
249.12726	1.2
251.07137	44.9
251.10898	2.8
252.07463	4.2
259.11218	2.5
261.09375	2.1
262.09976	1.7
263.20145	4.0
265.08585	1.4
265.12234	6.3
265.18051	2.3
266.12762	2.4
275.10544	1.5
276.11401	5.6
277.12317	18.0
278.12964	6.6
279.10242	3.6
279.13806	17.2
280.06866	2.3
280.14392	1.9
281.04630	2.5
291.19675	12.8
292.19983	2.3
293.11823	13.4
294.12628	100.0
295.13037	11.4
309.03970	2.8
309.11813	4.2
309.14893	96.6
309.20493	45.2
310.15158	9.9
310.20996	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1194
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01883	1.3
57.03460	1.6
58.00600	2.2
59.01385	75.3
60.01723	0.8
63.81197	0.3
70.70772	1.0
71.01389	33.2
71.05030	2.0
72.01727	0.5
72.99302	2.6
73.02964	1.8
79.16028	0.4
83.01374	2.1
83.05061	0.9
85.02960	10.3
85.06593	0.6
87.00900	1.8
89.02454	34.9
95.01406	2.7
99.00920	0.8
99.04516	0.8
101.02453	23.2
101.06087	8.7
111.04523	1.0
113.02459	14.4
117.92252	0.4
119.03515	15.1
124.41568	0.4
129.05595	13.0
131.03528	1.2
143.03506	1.8
147.06648	28.1
148.06950	0.8
149.04597	1.0
155.99902	0.4
161.04552	1.2
179.05602	1.4
189.07750	0.7
193.18047	0.4
243.06454	0.4
274.04193	0.4
294.59747	0.4
307.58215	0.5
309.11929	100.0
310.12238	6.3
321.96777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03454	1.5
58.00579	0.8
59.01385	100.0
60.01709	0.9
69.03453	0.7
70.98320	1.2
70.98662	1.2
71.01389	30.2
71.01786	1.5
72.99319	1.7
73.02946	3.5
73.35510	0.7
75.16144	0.7
79.24908	0.6
83.01379	1.3
85.02965	5.9
87.00910	2.9
89.02454	13.8
89.12575	0.8
95.01418	1.6
96.96011	0.9
97.02962	1.0
97.38592	0.6
97.75427	0.7
98.19982	0.8
99.00898	1.4
101.02449	14.5
108.02216	0.7
108.71220	0.7
110.06165	0.6
113.02454	8.1
116.49747	0.7
119.03513	6.8
129.01930	0.7
129.05646	0.7
133.05084	15.4
138.05547	0.9
143.03571	0.9
146.08253	3.8
147.06665	1.4
149.02498	1.1
159.36765	0.8
161.04591	5.7
161.08206	1.0
175.04126	0.9
178.99771	0.7
191.03656	0.8
203.03481	0.8
249.06441	0.8
249.09932	1.7
277.09341	1.3
308.13873	1.3
309.06445	1.7
309.11963	19.9
309.15247	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	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53054	1.9
59.01391	7.1
66.59834	1.8
68.68154	1.7
71.01388	27.0
95.32838	1.7
98.20737	3.9
104.98090	1.7
113.03504	1.8
115.00423	11.5
117.03485	7.7
133.01485	9.5
133.02968	7.1
134.03757	78.3
135.04089	1.9
137.02533	2.7
149.06114	8.1
175.00313	1.9
178.02727	5.0
193.05060	100.0
194.05414	5.6
229.35678	3.1
309.04068	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	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70438	0.7
53.15105	0.7
59.01384	11.3
61.03428	0.7
68.80334	0.7
71.01390	24.8
71.55181	0.9
72.99316	1.2
80.91251	0.8
88.88472	0.8
89.02452	1.5
89.03974	2.0
101.02455	1.1
102.81233	0.8
106.04240	0.8
107.05035	0.8
111.82758	0.8
112.96361	0.7
115.00372	9.1
115.72838	0.8
117.03474	8.6
132.05357	0.7
133.01414	5.0
133.02971	1.6
134.03751	84.4
135.04089	2.8
149.06093	8.2
178.02744	6.6
193.05067	100.0
194.05388	5.4
309.04205	1.1
309.12082	1.1
309.20795	0.9
316.38388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96004	2.6
57.03454	5.4
59.01387	20.5
68.77570	2.5
69.56676	7.5
69.57085	10.0
71.01402	2.7
77.50470	2.3
81.03441	4.2
83.01405	4.6
83.05030	4.0
90.58566	2.4
95.05054	3.9
97.02962	6.6
97.06580	8.4
109.06599	3.7
109.65533	2.5
111.08122	2.5
116.50955	2.4
123.04536	12.1
123.08124	5.9
125.09755	16.5
135.08214	3.0
137.09755	13.6
147.47034	2.8
149.06053	3.4
152.77945	2.6
156.36511	2.5
161.09685	4.8
163.11261	18.2
165.12912	4.9
172.52049	2.6
181.12285	6.0
185.11874	20.4
191.10800	3.3
191.14430	21.9
207.10245	8.5
209.11850	24.2
211.13405	3.0
214.85239	2.9
225.11298	7.5
245.19144	44.4
263.20294	4.3
271.17035	3.8
279.19672	3.7
289.18100	100.0
290.18625	13.6
307.10242	5.3
307.19186	68.5
308.19550	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2285
Annotation	Isolinderanolide B
Peak:m/z	Relative Intensity
50.08567	0.4
59.01376	1.1
65.09147	0.3
69.24014	2.2
69.24424	1.0
71.01406	0.6
73.35220	0.3
75.52285	0.3
96.96049	0.6
97.03009	0.4
98.20591	0.7
101.02444	0.5
104.95983	0.3
113.09766	0.5
155.85678	0.4
247.11090	0.3
263.14471	0.5
307.13416	1.8
307.22809	100.0
308.23163	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	307.1919
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03432	1.1
59.01386	5.0
69.03449	1.2
69.35223	4.6
71.01387	1.0
71.05015	5.9
73.02943	0.7
80.02686	1.3
81.03458	2.6
83.05018	2.2
85.02914	1.0
95.05016	2.1
96.96001	2.1
97.06595	1.0
98.03731	2.2
98.20616	1.1
106.04223	0.9
109.06602	16.5
110.06924	0.7
111.04532	7.8
111.08120	1.7
123.04556	0.8
123.08154	1.5
127.07684	4.4
135.08174	1.1
137.06108	0.6
137.09778	1.0
143.10776	1.7
145.06572	2.6
149.06088	1.1
149.09700	1.7
151.11267	1.4
163.06093	0.6
165.12900	0.6
167.10748	2.0
177.12733	0.6
179.10774	1.5
191.14534	0.7
195.13896	4.0
199.76347	0.5
205.15924	1.5
209.31331	0.6
233.15370	0.8
235.13359	2.5
242.16229	0.5
245.19096	5.7
249.14871	0.6
251.16486	1.3
261.18524	1.6
271.17078	1.9
273.14832	1.0
287.16586	2.1
289.18115	100.0
290.18448	9.4
307.10278	1.2
307.16013	1.3
307.19168	22.9
308.19452	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26942	1.8
51.55040	1.8
53.96457	1.8
55.01884	4.2
57.03437	7.8
59.01380	6.4
59.32711	1.9
61.98830	5.2
65.03969	67.6
70.10231	7.2
71.05029	43.2
79.63167	1.8
80.92343	1.9
83.05050	3.1
92.64895	2.3
97.06602	72.2
98.06920	2.4
109.06606	2.7
117.84075	1.9
119.08710	11.3
121.06608	100.0
122.06939	4.5
125.09745	37.5
126.10101	1.9
137.09689	3.5
162.27011	1.7
185.11842	86.5
186.12198	4.7
200.67650	2.0
201.86081	1.9
209.11835	34.5
210.12225	2.1
211.13406	36.1
217.12332	2.5
235.13399	92.6
236.13744	7.6
237.14848	2.1
249.15118	3.0
289.18106	20.7
307.16058	3.4
307.19177	34.0
308.19498	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50727	1.1
55.01868	5.7
55.10215	1.3
57.03441	5.7
59.01380	8.7
65.03969	68.1
67.01899	1.5
69.03468	1.9
69.40381	4.3
69.40802	5.9
71.01380	3.4
71.04643	2.5
71.05029	41.1
71.56676	1.3
73.26733	1.3
73.31979	1.1
79.95737	4.2
79.96496	1.1
81.03455	1.4
83.05025	5.1
85.02995	1.9
89.02447	1.6
93.03470	6.6
95.05067	1.7
97.06598	70.0
98.06951	1.7
101.02433	1.8
117.07144	3.7
119.05050	2.1
119.08669	20.5
120.05756	1.4
121.06611	100.0
122.06914	2.8
123.08154	3.8
125.09733	51.7
126.10053	2.2
133.06541	1.6
135.08171	21.5
137.09770	5.6
141.12862	2.1
149.56230	1.1
161.04547	1.8
161.09641	1.2
171.10297	19.8
181.05101	1.3
185.11842	84.7
186.12154	4.5
209.11821	35.9
210.12164	2.1
211.11487	2.5
211.13406	34.7
212.08406	5.5
212.13750	2.1
217.12383	2.3
227.10794	13.8
233.15425	3.9
235.13409	93.7
236.13792	8.4
237.14900	5.4
238.34464	1.1
245.19054	1.4
249.14920	3.8
271.17142	2.6
289.18109	39.2
290.18344	3.5
307.06421	14.9
307.10193	3.9
307.19186	28.5
307.22772	1.2
308.06894	1.7
308.19528	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	307.1917
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
53.63645	1.3
57.03461	7.2
59.01384	14.9
66.58997	1.3
69.03455	4.2
70.02579	6.0
71.01373	10.5
72.99312	5.7
73.02942	2.6
74.36069	1.7
79.05543	2.1
79.95827	1.4
81.03474	1.6
83.05045	3.0
85.02977	2.7
87.81501	1.7
89.02429	1.7
90.36048	1.3
91.96439	1.6
93.07096	1.3
95.01367	1.5
95.05040	2.5
96.96006	3.5
97.06599	11.1
98.19851	1.6
99.00857	2.0
99.04546	1.4
101.02470	2.6
109.06639	3.5
111.08171	4.9
117.03471	2.3
121.02985	1.5
121.06612	1.5
125.09741	2.8
149.09711	2.2
151.11293	10.0
153.12848	1.9
155.10764	7.2
161.04575	1.8
163.11301	4.7
165.12837	11.6
167.10800	2.7
169.12230	1.6
177.12846	1.9
179.10863	2.5
181.12308	11.3
183.04565	2.1
185.06117	1.7
191.10822	5.5
191.14432	3.3
209.11848	24.2
211.13458	3.2
224.10509	1.7
233.09801	1.6
239.09390	1.7
243.17659	2.1
245.19096	27.8
246.19502	2.9
249.05460	2.0
249.09251	4.3
261.18597	2.1
263.10715	4.5
263.20111	3.8
264.11469	2.7
266.05765	1.9
271.17123	2.4
275.11005	1.7
277.08710	7.1
279.10223	1.7
289.18121	34.3
290.18683	2.2
291.10309	25.1
292.10864	10.7
307.10211	7.4
307.13440	100.0
307.19098	62.9
307.22137	1.9
308.13708	8.0
308.19516	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	307.1916
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03452	1.3
59.01385	7.3
68.48499	0.4
69.03455	0.9
71.01399	2.7
71.05032	0.7
71.54426	0.6
73.02956	0.7
73.44366	0.4
80.02676	1.3
81.03466	2.1
83.05035	5.4
85.02946	1.2
88.04078	0.8
89.02451	1.1
93.03464	0.7
95.01440	0.7
95.05045	2.0
95.81325	0.4
96.18789	0.5
96.34827	0.5
96.95973	0.5
97.02946	1.1
97.06600	2.0
98.03753	0.7
99.04522	0.6
99.80499	0.5
101.02477	0.8
103.03994	0.4
107.05046	1.1
108.02222	0.5
109.06598	1.8
111.00793	0.5
111.08153	1.3
113.02463	0.5
113.09760	1.2
117.39564	0.4
118.17388	0.5
121.02973	1.8
121.10255	0.7
122.03748	1.0
123.04549	1.2
123.08127	1.1
124.05340	0.6
125.06068	0.7
128.61389	0.4
135.04526	1.3
135.08176	2.1
137.02451	0.9
137.09729	1.0
139.04044	0.6
139.07675	0.6
141.09245	4.6
147.11839	0.6
149.06036	0.5
149.09709	0.6
150.10596	0.5
151.11311	1.0
152.08481	0.5
153.09167	0.8
158.66393	0.4
159.08170	0.5
161.04556	0.8
163.11327	4.7
164.11600	0.7
165.09264	1.3
165.12865	2.9
173.09679	0.6
177.12955	0.5
178.10004	7.5
179.10735	1.1
181.12436	2.4
183.13899	0.9
185.11926	0.6
191.10818	2.5
191.14420	7.1
193.12326	0.7
209.11852	52.7
210.12154	2.7
211.13414	1.6
219.13916	1.9
235.20636	0.6
236.10588	1.5
238.12164	3.3
245.19121	10.2
246.19395	0.7
251.20148	0.7
253.10847	1.6
261.18719	0.6
263.17419	0.5
263.20145	3.1
271.17108	1.3
279.19696	1.2
289.18137	31.2
290.18433	3.1
307.10062	3.6
307.19171	100.0
308.19489	9.9
308.22913	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	13.1
59.01384	30.5
61.58017	2.3
63.90191	1.9
68.99811	2.4
69.03461	6.1
70.48321	5.5
71.01378	18.2
71.05027	2.8
73.02950	2.7
79.95729	7.2
80.02675	2.6
81.03453	4.3
83.05033	7.8
85.02963	6.8
89.02442	5.2
93.03461	2.3
94.23471	2.0
95.05026	6.3
96.96008	6.8
97.02969	3.2
97.06606	20.9
100.21379	2.1
101.02430	4.2
103.03996	2.9
104.45287	2.4
106.04300	2.8
107.04941	2.5
108.02209	2.0
109.06600	5.2
111.08176	9.3
119.03549	2.9
121.06600	4.9
123.04504	3.2
123.08166	2.5
125.09694	5.9
127.07639	2.4
127.11267	3.4
133.53140	2.5
135.04501	3.1
135.08138	4.4
137.09772	3.7
138.06859	2.2
149.09712	3.8
151.11272	23.6
153.09172	3.6
153.12875	3.8
155.10741	13.1
155.15536	2.5
161.04555	5.5
163.06087	3.0
163.11299	9.1
165.12860	28.6
167.10773	5.2
168.11476	2.4
169.12337	2.5
171.10292	8.3
179.10767	10.7
181.12366	24.5
185.11777	12.5
191.10820	13.4
191.14436	10.0
195.10193	2.2
197.11940	4.1
205.12297	4.1
209.11823	53.4
211.13383	6.6
212.10498	3.1
239.09167	4.3
243.17516	2.8
245.19102	34.3
246.19437	4.9
249.45200	2.3
256.19888	2.4
261.18530	2.5
263.20142	22.5
264.20645	3.6
271.17014	5.7
279.19601	4.6
289.18115	45.5
290.18430	2.7
307.10522	15.5
307.13440	4.8
307.19180	100.0
308.19208	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.9
57.66858	1.6
58.71296	1.7
59.01384	9.3
69.03451	2.8
69.26448	14.5
71.01372	2.9
79.51371	1.6
80.02658	3.3
81.03452	8.0
83.01394	7.4
83.05025	4.0
85.02953	1.9
95.05035	4.3
97.02959	5.4
97.06600	13.9
98.20679	4.0
107.05049	2.3
108.02194	1.7
109.06552	4.0
110.03784	2.0
111.08124	1.5
119.05072	2.0
121.06573	4.2
123.04547	12.3
123.08159	3.6
125.09723	20.2
131.08708	2.6
135.04469	1.9
135.08142	3.8
137.06023	1.9
137.09721	11.9
141.12872	4.7
149.06056	3.1
151.11263	2.3
157.06563	3.2
159.08092	2.9
163.07582	2.9
163.11296	18.3
164.08372	2.2
165.12863	3.3
167.10678	1.8
171.10233	3.1
177.12953	1.8
179.10793	3.4
181.12296	5.3
185.11835	23.5
191.10774	3.3
191.14427	22.3
192.14529	1.8
193.60461	1.6
207.10274	11.2
208.29176	1.7
209.11838	36.7
210.12169	3.2
211.13513	2.0
217.15948	2.5
225.11378	9.1
227.18040	1.9
233.15443	2.1
237.12856	7.2
245.16673	3.3
245.19115	46.5
246.19385	4.7
263.14334	5.6
263.20200	4.3
271.17120	5.3
289.18118	100.0
290.18408	9.8
293.11826	3.4
307.10022	2.6
307.13538	27.0
307.19144	56.7
308.13928	3.1
308.19449	5.3
325.14368	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	307.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.8
56.26050	0.8
56.90961	0.8
57.03453	1.5
57.37941	0.9
58.00586	1.1
59.01386	100.0
60.01719	0.9
69.03486	0.9
69.72620	4.9
71.01389	25.0
72.99316	2.0
73.02953	5.8
75.00876	1.3
83.01399	3.6
85.02965	9.9
85.06622	5.6
87.00906	1.6
89.02460	12.8
91.54488	0.8
95.01401	1.6
99.00903	2.1
100.42268	0.9
101.02454	20.5
104.29478	1.0
113.02451	9.3
119.03533	3.7
122.06118	0.9
127.07677	3.6
143.03601	1.1
145.08733	5.1
149.04578	1.1
158.36241	0.8
159.03024	1.5
159.10298	10.2
161.04579	8.7
189.11365	2.7
256.62305	0.9
265.12976	18.3
266.13293	1.5
307.08429	2.1
307.14041	36.3
308.14395	2.0
318.30621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
66.46144	0.4
69.07568	0.5
70.69038	0.7
70.69367	0.8
72.99369	0.5
74.99076	6.3
78.41542	0.5
80.45750	0.4
81.65184	0.5
85.02977	0.5
91.02224	2.2
93.00143	1.8
115.57778	0.4
149.00972	3.1
159.08478	7.3
161.06407	1.8
171.08160	2.8
192.98157	1.3
206.99629	1.0
209.01285	2.2
217.07227	1.1
223.02844	48.9
224.02974	4.1
289.07513	1.9
291.09125	100.0
292.09271	11.9
299.32935	0.5
307.12735	2.9
309.10031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
59.96745	0.3
69.31266	2.3
74.99078	7.4
75.99046	0.3
86.84486	0.3
89.54949	0.3
91.02227	2.8
93.00141	1.9
94.07944	0.3
114.58047	0.3
143.05411	0.7
149.00957	3.2
159.08485	7.1
160.08737	0.3
161.06430	2.2
192.98166	0.7
206.99731	1.5
209.01302	3.4
210.01244	0.4
217.07179	0.8
223.02852	52.8
224.02924	4.8
241.03836	0.4
269.57422	0.3
275.05902	0.5
289.07602	2.2
290.07742	0.3
291.09131	100.0
292.09238	12.9
307.12405	2.8
308.12344	0.6
309.10208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1401
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01881	1.4
58.00594	1.8
59.01384	50.6
69.46945	6.2
71.01017	1.2
71.01390	23.6
72.99318	2.1
73.02921	2.4
83.01403	2.0
85.02967	6.3
85.06596	14.9
87.00851	1.0
89.02451	21.2
89.84622	0.9
95.01395	1.9
98.19839	1.0
99.00904	1.3
99.08164	26.0
99.99284	0.9
100.08491	1.1
101.02453	18.6
113.02454	9.3
113.06077	2.6
115.04008	1.8
119.03526	8.2
121.02995	2.7
127.07650	3.0
129.09233	2.6
138.05663	2.1
139.06001	0.8
141.09216	2.7
143.03502	1.0
145.08717	71.7
146.09044	2.0
149.04498	0.9
161.04549	1.7
179.05687	1.4
187.09763	2.0
189.07675	0.9
199.59187	0.9
244.36046	0.9
250.78191	1.0
264.12564	1.0
289.12039	1.0
307.13998	100.0
308.14389	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1403
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01876	1.4
57.03447	2.4
58.00567	1.2
59.01386	100.0
60.01708	1.3
61.48953	0.8
71.01389	34.0
71.01786	1.7
71.12315	0.7
71.12687	1.5
72.99336	1.5
73.02952	6.4
73.57181	0.9
78.77673	0.9
83.01389	3.4
85.02959	9.3
85.06609	0.9
87.00900	1.8
89.02454	27.5
95.01411	2.7
99.00888	2.1
99.08180	3.1
99.21671	0.8
101.02457	21.3
113.02455	12.7
115.59777	0.8
119.03508	8.4
119.05067	1.5
122.06105	1.1
122.42252	0.8
127.07683	9.2
143.03511	1.0
145.08717	9.1
159.03120	1.0
159.10281	0.9
161.04596	5.6
163.04070	1.3
179.03516	1.7
189.11360	1.5
194.19058	0.7
229.12868	0.9
265.12943	14.1
307.14017	65.0
308.14432	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	305.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.8
71.01369	2.0
85.02960	2.4
98.20658	3.6
101.02464	2.9
105.90003	1.0
107.45235	1.1
111.16725	1.1
113.02466	1.1
118.63188	1.0
126.42527	1.0
135.04561	1.1
141.01723	2.2
182.72005	1.0
191.10797	80.0
192.11145	4.1
203.10782	18.2
204.11182	1.2
231.14018	1.4
247.09709	2.0
261.15869	2.7
261.18610	52.3
262.18936	5.7
305.17654	100.0
305.21191	11.2
306.18033	9.1
306.21368	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	305.2125
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
59.01386	5.4
65.00323	0.4
71.01382	0.7
71.55531	0.6
73.02952	0.6
77.01218	0.3
87.52103	0.3
101.02488	0.4
104.51340	0.4
113.02474	0.4
135.04573	0.4
141.01703	2.9
157.32048	0.3
168.68159	0.3
170.07422	0.5
213.20169	0.3
214.35611	0.4
273.18622	2.7
305.12140	1.5
305.21234	100.0
306.21579	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.249
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01379	0.6
65.77794	0.5
70.27308	1.3
70.27646	0.4
71.01401	0.8
98.19978	0.6
101.02445	0.6
117.03513	0.5
133.21712	0.4
144.99371	0.4
155.10712	0.6
298.86163	0.4
305.24884	100.0
306.25229	10.6
315.51550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
50.63236	0.7
55.01881	1.0
57.03444	3.6
59.01397	5.3
65.03960	3.1
69.03451	1.8
69.80383	3.5
71.01392	1.2
71.05024	9.6
71.72854	0.8
73.02934	1.6
75.87696	0.8
79.05540	12.5
80.02698	1.0
80.05859	0.9
82.03770	0.9
83.05045	1.3
83.82764	0.7
85.02928	0.9
93.03448	2.0
95.05044	3.4
96.96041	0.9
97.06599	16.0
101.02455	0.8
106.04260	8.0
107.05034	2.7
109.06633	2.4
117.07128	1.1
119.05041	1.4
120.05834	5.8
121.06648	4.4
123.08194	6.8
125.09740	19.3
126.10093	0.8
133.06578	0.9
135.08180	100.0
136.08493	4.1
137.09731	1.7
141.01701	1.7
151.11266	2.6
160.70886	0.8
162.06876	1.6
163.11293	2.2
171.10245	0.8
174.07588	0.8
177.12897	1.3
183.10265	1.4
185.11826	1.7
189.12875	2.0
189.34518	0.8
205.15921	5.7
205.17419	0.6
207.10294	2.6
209.11835	2.1
221.11926	2.5
231.13992	1.4
233.11845	1.8
235.13365	0.9
243.17543	1.4
249.14972	51.0
250.15327	3.0
261.18732	0.9
263.16455	2.4
269.67267	0.8
277.18155	3.9
287.16608	8.5
288.16855	0.8
305.17618	76.4
306.17908	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
54.57913	1.0
57.27950	0.9
59.01387	6.9
61.37989	0.9
70.14907	1.7
70.15300	2.8
71.01383	2.8
72.18887	0.9
73.02937	1.2
85.02961	1.3
101.02436	2.2
101.82838	1.0
135.04504	1.7
141.01711	2.8
149.30635	1.3
160.98643	1.3
175.38124	1.0
176.78200	0.9
191.10791	78.8
192.11102	4.8
203.10777	18.1
204.76735	1.1
223.71762	1.0
232.97377	1.2
238.12196	1.2
247.09792	1.2
261.18604	51.6
262.19016	3.9
305.17639	100.0
305.21188	11.0
306.17981	9.8
306.21274	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	305.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.8
59.01390	13.3
68.99805	1.5
69.03482	3.7
71.01404	3.4
71.05022	22.1
71.55064	2.0
79.05537	2.6
79.36008	1.7
81.03479	3.9
83.04993	2.6
84.30791	1.4
85.02964	2.8
87.00870	1.7
93.03475	3.3
95.05033	13.0
97.02996	1.9
97.06621	1.8
101.02472	1.7
106.04271	6.7
107.05055	3.9
108.02245	2.5
109.06620	8.6
110.03754	3.4
113.02414	1.9
119.05090	2.1
120.05836	2.3
121.03008	2.1
121.06647	3.6
122.03783	2.0
123.04556	6.4
123.08179	2.7
125.06084	3.0
125.09757	2.8
131.05063	3.6
133.06592	2.5
135.04553	3.5
135.08218	11.0
138.03253	4.7
141.01756	3.8
147.08153	3.0
149.02510	2.5
161.09766	1.9
165.09282	7.0
167.03549	5.1
175.07712	2.2
185.11868	3.6
189.12846	7.8
205.16052	3.7
219.94214	1.7
225.09343	2.6
231.13770	2.0
231.17755	2.0
233.11858	4.9
243.17526	18.9
244.17834	1.7
249.15050	9.8
261.18576	7.9
287.16541	56.7
287.19632	3.2
288.16916	5.0
303.13962	2.1
304.27145	1.6
305.08420	3.0
305.14673	6.9
305.17728	100.0
306.18124	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	305.1763
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
57.03459	19.1
59.01385	100.0
59.75583	1.6
69.37316	7.2
69.37722	4.8
79.39775	1.4
81.03467	3.4
85.50905	1.2
93.03480	2.7
95.05051	4.1
97.02956	17.6
100.73430	1.4
107.08700	1.5
108.02189	34.0
109.06567	1.8
110.03753	6.7
111.04543	2.0
122.03758	1.8
123.04534	13.9
124.05317	35.0
125.06128	20.1
135.08173	2.8
137.06107	2.5
168.04305	36.4
169.04596	2.1
176.08424	11.1
179.08662	2.1
203.14534	1.8
219.17403	1.6
223.07648	10.4
224.08327	1.9
235.07596	3.1
243.17650	3.5
245.15469	19.7
246.16031	2.0
261.18616	25.2
305.17953	41.6
305.21219	2.7
306.18060	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	305.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01385	32.2
59.01690	1.7
59.98517	0.9
63.96244	1.8
69.03450	1.0
69.24745	8.2
71.01385	13.5
71.05029	1.6
72.00916	2.3
72.99297	0.8
73.02967	5.0
75.00901	1.0
76.97029	1.9
79.95753	0.9
83.01414	1.1
83.05033	2.9
85.02953	9.2
85.06593	5.0
85.91693	0.8
86.02483	1.3
87.00885	2.1
87.04531	1.6
89.02452	6.5
94.53372	1.0
95.05013	1.0
97.02996	1.0
97.06605	2.8
98.99131	0.9
99.00884	1.6
101.02455	7.7
101.06100	1.2
109.06586	5.6
111.04514	2.1
113.02460	4.9
113.06091	4.4
114.05611	9.2
115.00356	0.9
115.03997	2.0
115.07649	2.0
119.03493	1.8
120.04571	1.1
122.03735	1.5
122.06100	0.9
125.06120	5.0
129.05571	3.5
129.06676	2.8
130.08751	69.6
131.09079	1.5
136.04066	0.9
138.05612	11.6
143.04565	1.0
143.07166	4.7
145.05038	4.8
155.03500	1.7
155.07127	0.9
155.11917	10.9
156.06726	1.3
157.05089	5.0
161.04546	2.0
171.07771	2.5
173.04599	7.4
173.08234	6.3
183.14987	2.8
186.06430	0.8
186.07759	7.0
187.09660	1.4
197.16589	3.0
199.10921	16.6
200.11171	0.9
227.13945	1.3
241.15588	44.2
242.15900	3.1
243.11414	2.1
261.12457	2.7
273.12802	16.8
274.12976	1.6
287.14975	1.6
290.13083	6.1
305.06949	5.3
305.12253	9.1
305.15527	100.0
306.15860	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	305.1393
Annotation	14-Hydroxyplatensic Acid
Peak:m/z	Relative Intensity
51.98901	0.6
55.01874	0.9
57.03432	1.3
59.01384	3.4
65.00320	1.1
67.01885	1.2
67.85268	0.6
69.16585	1.7
69.16980	6.1
69.38316	0.7
71.01356	1.5
73.98431	0.8
83.01383	0.8
83.05035	8.4
85.02939	1.4
86.91017	0.7
89.18593	0.7
93.03477	1.4
96.95992	0.9
101.02485	1.1
104.02686	0.7
106.04239	2.4
107.05038	4.8
108.85216	0.7
109.02959	2.2
113.02423	1.1
117.03500	1.4
119.75266	0.7
121.02965	6.2
122.03764	9.2
123.08153	1.9
125.09749	0.6
130.04245	3.7
133.02934	1.6
135.04530	1.0
143.05074	4.2
144.05830	2.8
145.06633	5.8
147.08147	3.7
149.02426	0.8
152.01146	1.2
153.01923	1.0
157.06598	2.1
158.07375	1.1
159.08188	5.2
160.08511	0.7
161.02472	14.1
161.04544	1.1
162.03085	0.9
165.01958	1.6
171.08194	1.6
173.06049	0.8
173.09760	5.9
175.07651	1.3
179.03531	3.1
187.03998	0.9
188.04803	0.8
189.09235	0.9
191.10825	4.0
199.07359	0.9
201.12886	0.8
216.07915	2.2
217.08665	2.2
243.06598	1.1
243.13905	7.5
261.14987	1.9
269.11807	1.5
287.12912	100.0
288.13235	8.0
305.13956	90.6
305.17599	24.0
306.14407	9.4
306.17908	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1397
Annotation	14-Hydroxyplatensic Acid
Peak:m/z	Relative Intensity
50.80706	0.7
55.01872	1.3
57.03449	0.7
59.01383	5.8
61.11673	0.6
66.20831	0.6
67.01876	0.9
71.01368	1.4
71.05016	0.9
79.05548	4.8
85.02956	1.1
89.00346	0.7
89.02505	0.8
101.02439	1.6
103.54859	0.6
105.03469	20.3
107.05026	1.0
108.02185	1.0
109.03020	1.0
113.02431	0.8
121.02979	8.6
122.03759	10.9
123.04542	21.2
133.02898	0.8
136.01642	1.4
141.01709	2.7
143.04953	1.1
149.02457	8.6
153.01962	0.7
156.05800	1.7
157.06572	0.8
159.04494	1.6
161.06148	1.3
162.43318	0.7
165.01944	5.9
166.02734	10.4
167.03494	10.7
171.04556	2.7
173.06067	1.1
217.16051	0.7
225.09282	0.9
225.12811	2.6
228.96835	0.6
243.13872	1.3
262.34235	0.7
269.11835	17.6
270.12180	1.3
287.12921	30.0
287.15961	1.1
288.13300	3.4
305.13974	100.0
305.17395	4.6
306.14340	9.0
306.17679	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	305.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35226	0.5
57.03453	0.7
58.00598	0.8
59.01387	23.6
61.05208	0.5
66.69728	0.5
70.71800	0.6
70.72123	0.9
71.01387	11.5
72.99289	0.7
73.02961	3.2
74.31779	0.5
81.07095	0.8
82.02991	3.9
83.01398	1.6
85.02955	5.0
85.06619	0.8
87.00874	1.1
89.02452	8.5
92.05115	0.7
94.02995	2.3
95.01433	1.3
96.04554	5.2
96.96024	5.2
99.00904	1.0
101.02458	9.0
111.08152	0.5
113.02472	6.2
116.91963	0.4
119.03524	4.0
120.04556	1.2
122.02462	0.7
122.03757	3.5
122.06145	1.7
125.06097	1.1
127.52695	0.5
129.05582	1.9
131.03665	0.7
132.04578	0.8
136.04060	1.3
138.05626	100.0
139.05951	3.9
143.03545	0.8
143.07185	0.6
150.05650	0.6
152.54790	0.5
157.08699	2.7
161.04613	1.6
161.11830	0.8
173.04524	0.6
173.08185	1.9
187.09747	0.9
188.07274	0.9
190.08844	0.8
202.08640	0.6
216.10220	0.9
218.06958	1.7
218.11864	1.0
225.11330	1.2
233.09323	5.0
244.09843	1.5
253.04970	0.6
261.09167	0.7
261.12427	11.1
262.12741	0.7
287.10474	1.4
305.07092	5.4
305.11728	19.9
305.16086	1.6
306.12015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
57.03446	5.4
57.20346	1.2
58.00592	2.3
59.01385	100.0
62.95825	1.2
63.24588	1.2
69.03471	1.5
69.68522	7.5
71.01388	60.5
71.41212	1.2
72.97573	1.1
72.99329	3.5
73.02954	12.3
81.07088	6.3
82.02979	2.0
83.01390	8.7
83.05064	1.4
85.02959	26.3
86.00077	1.3
87.00884	4.0
89.02451	43.9
94.02978	2.2
95.01403	4.6
96.04604	1.3
96.96018	7.3
98.20622	2.4
99.00893	3.9
101.02454	47.8
101.06098	1.4
103.66533	1.1
103.71848	1.1
111.08204	1.4
113.01718	2.5
113.02460	29.9
119.03511	19.9
122.03751	2.4
122.06109	1.8
125.06071	3.4
129.05611	8.0
131.03537	1.3
138.05623	77.6
139.05933	3.0
143.03482	2.8
143.74269	1.3
148.25305	1.3
154.38548	1.4
157.08763	2.3
159.02983	1.4
161.04530	7.3
161.11829	2.5
173.08192	2.8
179.05621	2.8
179.07207	1.3
187.07156	1.5
187.09724	1.5
218.06987	2.7
233.09302	2.6
261.08865	2.2
261.12888	7.7
263.11365	3.0
305.07001	5.1
305.12283	35.8
305.16193	3.1
306.12363	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	305.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16578	0.9
55.01880	1.0
57.03437	1.8
59.01385	26.8
67.05537	7.2
68.99574	16.0
69.03454	2.2
70.56631	2.2
71.01382	5.1
81.03466	2.7
83.01366	1.6
83.05045	3.9
85.02941	3.3
85.06595	3.1
87.00896	1.1
89.02457	2.4
95.01436	1.1
101.02431	1.4
111.02381	0.8
111.04532	32.3
112.04865	1.1
112.98573	25.5
113.02475	4.1
113.06094	11.2
113.30649	0.9
114.05605	0.9
125.06133	1.6
127.03996	1.9
129.05589	40.3
137.02451	9.0
138.05632	8.4
140.12926	0.8
147.02994	1.0
148.73335	0.8
149.04611	1.5
155.03502	30.1
156.03752	1.2
157.05067	12.6
161.04558	1.0
161.11702	1.1
173.04558	100.0
173.08041	4.2
174.04803	3.5
174.16975	0.8
187.06032	1.8
215.33618	0.9
261.12476	0.9
266.34326	0.8
305.08698	4.2
305.15903	2.1
306.08881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1145
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
59.01384	0.4
65.99857	0.5
68.01451	0.2
69.03461	0.3
70.12338	0.7
71.11316	0.3
81.51245	0.3
82.02995	3.5
86.70869	0.2
92.05077	0.5
94.02991	1.4
94.12537	0.3
96.04561	4.8
97.02970	0.4
111.08168	0.5
112.06145	0.2
120.04598	1.3
122.02462	0.5
122.02851	0.4
122.03747	4.8
122.06131	1.7
136.04088	1.5
138.05623	100.0
139.05991	3.8
144.32434	0.3
149.04785	0.3
150.05612	0.6
157.08707	0.2
161.04820	0.6
173.08202	0.9
174.05630	0.5
188.07260	0.6
190.08748	1.0
196.42882	0.3
202.08734	0.7
216.10315	0.7
217.06326	0.6
218.07001	2.0
218.11922	1.7
233.09323	4.2
244.09773	1.0
245.09386	0.8
261.12457	9.5
262.12866	0.7
287.10434	1.2
305.11456	12.9
306.11813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01383	22.5
67.05535	7.3
69.03455	2.2
71.00854	1.9
71.01395	2.6
72.97538	0.8
73.02941	1.3
83.05035	3.3
85.06581	1.9
89.02406	0.7
99.00928	1.1
101.02441	0.9
111.04528	32.5
113.02483	1.2
113.06089	4.7
114.05626	0.9
125.02507	1.0
129.05591	40.7
130.05927	1.0
137.02470	7.4
138.05608	3.5
149.04549	1.1
155.03520	27.5
156.03818	1.8
156.06709	0.8
157.05064	4.7
173.04561	100.0
173.08165	2.8
174.04884	2.7
287.86389	0.7
305.08734	2.2
305.12134	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	305.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47961	0.4
59.01385	45.8
60.25690	0.4
69.03441	0.4
71.01384	1.6
71.09223	0.9
73.02954	0.4
79.95762	2.0
85.02973	0.4
85.06631	0.4
87.97247	0.4
96.96020	100.0
97.06609	0.8
97.92590	0.4
97.95885	0.4
108.73872	0.4
110.48582	0.5
113.02402	0.4
135.08192	0.7
138.05635	1.2
147.08189	1.8
157.08749	1.2
158.73766	0.4
161.39020	0.5
165.09267	0.6
173.08148	0.7
181.12328	0.7
225.11340	23.4
226.11754	1.0
265.39532	0.4
305.07025	72.5
305.16260	1.4
306.07343	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	305.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16578	0.9
55.01880	1.0
57.03437	1.8
59.01385	26.8
67.05537	7.2
68.99574	16.0
69.03454	2.2
70.56631	2.2
71.01382	5.1
81.03466	2.7
83.01366	1.6
83.05045	3.9
85.02941	3.3
85.06595	3.1
87.00896	1.1
89.02457	2.4
95.01436	1.1
101.02431	1.4
111.02381	0.8
111.04532	32.3
112.04865	1.1
112.98573	25.5
113.02475	4.1
113.06094	11.2
113.30649	0.9
114.05605	0.9
125.06133	1.6
127.03996	1.9
129.05589	40.3
137.02451	9.0
138.05632	8.4
140.12926	0.8
147.02994	1.0
148.73335	0.8
149.04611	1.5
155.03502	30.1
156.03752	1.2
157.05067	12.6
161.04558	1.0
161.11702	1.1
173.04558	100.0
173.08041	4.2
174.04803	3.5
174.16975	0.8
187.06032	1.8
215.33618	0.9
261.12476	0.9
266.34326	0.8
305.08698	4.2
305.15903	2.1
306.08881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35788	0.3
58.02983	41.2
59.01389	0.5
59.03325	0.5
65.91800	0.3
66.03606	0.3
69.94019	1.6
98.19952	0.3
101.50275	0.3
105.00832	0.3
110.33241	0.3
140.50977	0.3
153.39348	0.3
168.13953	100.0
169.14296	5.7
212.12917	2.8
282.41290	0.3
304.19110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10690	1.3
53.05342	1.2
55.01883	1.6
59.01385	17.7
59.11578	1.3
67.05534	2.2
68.99580	74.0
69.03442	1.8
70.81194	3.4
70.81560	1.4
71.01381	4.1
85.02956	3.3
85.06605	1.5
87.00903	2.5
89.02452	3.6
99.00851	2.0
101.02503	2.6
111.04526	14.0
112.98581	100.0
113.02420	3.1
113.06078	5.2
116.33057	1.3
121.19607	1.2
129.05600	18.6
131.03532	1.6
131.86401	1.3
137.02455	4.3
138.05646	10.7
140.25862	1.2
151.68044	1.4
155.03497	11.7
157.05078	5.7
161.04520	2.0
170.90503	1.5
173.04562	43.8
173.06047	2.3
173.08208	3.9
187.06126	2.1
201.28191	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	304.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44474	0.3
55.83223	0.4
56.73910	0.3
59.01382	0.8
61.98836	6.1
66.96098	0.3
70.26251	0.3
70.75880	0.7
79.05532	1.4
81.08039	0.3
81.74139	0.3
85.02944	0.3
92.30083	0.3
93.03459	0.5
102.27503	0.3
107.04317	0.6
107.05045	11.1
108.81941	0.3
117.33051	0.3
130.08748	0.3
131.08694	0.9
133.06610	0.4
137.93584	0.3
141.01736	0.3
157.06615	8.4
158.06897	0.7
159.04543	1.6
160.05313	1.2
175.07661	15.1
176.07950	0.5
191.66049	0.3
201.05588	22.1
202.05943	1.5
204.04289	0.4
219.06638	100.0
220.06975	7.1
278.05096	0.7
304.04443	4.7
305.08142	0.5
305.14453	0.5
305.17596	0.5
305.21201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.98833	15.1
71.01382	0.6
71.54832	0.6
79.05540	2.2
90.18527	0.4
93.03477	0.6
94.59065	0.4
101.02497	0.5
107.05040	14.4
108.05376	0.7
109.02954	0.4
122.03694	0.5
129.07114	0.9
131.08672	1.5
133.06609	0.8
141.01715	0.5
148.01643	0.5
157.06610	6.5
159.04509	2.6
160.05316	1.6
163.04016	0.5
175.07649	26.2
176.08006	1.3
201.05585	16.2
202.05995	0.7
219.06633	100.0
220.06969	7.0
252.68137	0.4
278.05270	0.8
291.23090	0.4
297.29428	0.5
304.04391	3.8
305.04700	0.6
305.08255	1.0
305.14279	0.7
305.17624	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	303.1606
Annotation	Tanzawaic acid F
Peak:m/z	Relative Intensity
59.01385	3.2
65.00314	7.8
70.92247	2.4
70.92583	2.4
73.74570	1.2
74.61324	1.2
78.01093	1.5
81.03486	1.3
83.01424	1.3
91.66116	1.2
100.35393	1.2
107.05038	2.3
110.63876	1.2
122.03721	2.2
123.04557	1.7
123.08177	2.0
135.04541	13.6
136.05336	9.2
144.05852	9.0
144.86943	1.4
147.04526	1.3
148.05354	1.3
150.03210	4.2
157.06589	5.4
159.08157	7.7
162.86165	1.2
163.03976	1.4
165.05615	3.6
168.13831	1.8
171.08188	4.1
172.08955	2.1
173.09753	8.7
175.07791	1.2
176.01118	5.8
177.12823	1.8
179.03523	3.0
185.09697	1.7
193.12410	1.9
201.05685	2.1
201.24980	1.1
203.45242	1.3
217.12274	8.2
235.13412	2.6
241.16022	7.3
255.68274	1.2
259.13480	2.6
259.17032	14.3
265.07104	1.4
285.14972	100.0
286.15320	7.7
303.12390	40.1
303.16031	93.4
303.19318	2.3
304.12683	4.1
304.16336	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	304.0016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25451	0.2
54.70290	0.2
59.01382	6.8
60.01725	0.9
61.98839	100.0
64.19945	0.3
102.92388	0.2
108.97927	0.3
117.02256	0.5
119.00194	0.4
130.49228	0.2
134.97037	0.3
148.51530	0.2
159.01564	1.2
160.01628	2.9
161.01230	3.7
161.98969	19.2
162.01654	0.9
162.96585	0.4
162.99094	1.2
163.92307	0.2
202.02704	0.7
203.02347	1.0
204.00046	3.8
204.02139	0.4
204.02519	0.3
219.97885	0.3
261.99045	0.3
295.67926	0.2
303.99985	10.7
304.02838	1.8
304.99792	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	303.1604
Annotation	3-Polyprenyl-4-hydroxy-5-methoxybenzoate
Peak:m/z	Relative Intensity
59.01380	1.3
70.09868	2.1
70.10262	1.7
83.01408	1.7
110.14584	0.7
117.94570	0.8
149.02449	1.8
165.01917	0.7
175.11311	1.0
189.09233	75.6
190.09579	3.7
201.09236	18.2
203.10760	1.7
204.11569	1.2
236.10536	1.4
243.13736	0.9
245.08287	1.2
259.17044	66.1
260.17404	6.0
287.13190	1.0
288.13724	0.8
303.16049	100.0
304.16400	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	303.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98827	0.4
59.01383	3.1
59.04379	0.4
63.10409	0.5
64.44358	0.4
67.67123	0.4
69.97169	1.9
71.01389	2.0
73.02931	0.6
75.00887	0.5
80.96516	0.7
81.03448	0.5
83.01395	1.5
83.05061	0.6
83.54363	0.4
85.02953	1.7
87.00867	0.5
94.91956	0.5
98.19976	0.8
101.02467	0.7
109.06606	2.6
113.02439	1.6
115.03987	0.5
121.76424	0.5
125.02443	0.6
127.06714	0.9
127.07663	17.1
140.07196	0.6
149.04594	0.9
153.05608	1.0
155.07132	0.6
158.06116	0.6
159.10190	1.1
169.27498	0.5
171.06642	100.0
172.06972	4.0
185.08156	0.6
193.90483	0.6
231.67711	0.5
238.18753	0.5
285.12527	0.6
296.01733	0.5
303.05862	0.5
303.10950	0.7
303.14517	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	303.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
59.01392	9.0
64.13420	0.7
66.32462	0.8
67.50841	0.7
69.03460	1.3
69.61159	4.7
71.01393	5.4
73.02953	2.8
74.03738	0.7
75.00896	0.8
79.05531	0.8
81.03470	1.6
83.01406	1.7
83.05059	1.1
85.02959	4.3
87.00873	1.4
89.02439	1.2
95.01392	1.1
96.34666	0.8
97.06615	1.4
97.38354	0.8
98.20576	1.8
99.00900	1.0
99.04546	0.8
101.02446	2.6
109.06606	2.9
111.04483	1.2
113.02479	6.0
120.99662	0.8
123.04543	0.8
125.02473	3.0
127.07674	24.0
128.07999	1.1
131.03551	1.1
141.09239	1.3
149.04607	1.3
153.05580	1.0
159.10294	2.3
161.04535	0.9
171.06650	100.0
172.07001	2.8
175.04065	1.0
185.08232	2.6
229.06227	0.9
259.10956	1.3
285.04156	2.0
285.13293	0.8
303.05981	1.4
303.09402	2.2
303.10938	1.1
303.14386	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	303.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46246	0.5
59.01373	1.1
62.43151	0.4
65.03966	5.1
67.01894	1.8
74.57358	0.5
79.01924	0.4
79.05532	4.6
81.03485	2.9
82.33246	0.4
84.08820	0.5
89.07647	0.4
93.03468	2.4
95.05033	0.7
107.01398	1.3
108.02197	2.6
109.02962	35.6
110.03300	1.0
121.02974	14.5
122.03705	1.7
123.00912	1.1
123.04543	10.4
124.04800	0.6
135.00874	1.1
136.01666	2.7
137.02463	22.8
138.02808	0.6
139.04008	1.4
148.01691	12.0
149.02458	17.5
149.99513	0.6
150.03151	1.4
161.02411	1.3
163.03984	0.5
165.01950	11.9
165.86844	0.5
166.02632	1.8
167.03514	100.0
168.03841	4.0
178.02745	1.3
179.03409	0.6
183.03011	0.5
185.06030	0.6
193.01414	2.2
193.05058	4.4
201.05591	2.5
229.05046	2.1
242.05836	1.9
244.07419	1.3
257.08267	2.2
259.09778	1.0
270.05463	1.1
273.04016	1.7
285.07721	9.6
286.08194	0.7
288.06403	1.6
303.08759	37.7
303.21780	1.2
304.09036	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	303.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16236	1.7
53.72933	1.4
68.01421	6.0
68.99821	6.0
69.37019	14.4
70.02985	2.3
95.63011	1.9
96.00938	4.2
97.01711	4.8
98.02487	73.7
109.02964	5.3
110.02494	16.3
116.05065	24.5
130.05112	15.0
167.03548	4.8
227.08281	100.0
228.08534	5.9
259.10831	1.7
303.08636	2.5
303.21893	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	303.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01425	1.0
63.58388	0.4
70.46786	0.3
75.36872	0.3
78.13228	0.3
98.19906	1.1
112.50479	0.3
121.03020	0.5
124.01773	0.4
141.03564	0.6
142.25002	0.3
145.03017	1.2
147.04594	0.7
151.00444	0.3
157.02960	0.5
158.62338	0.3
161.02455	1.7
169.02998	2.6
171.04643	0.5
173.02455	3.1
175.04028	0.4
185.02458	6.5
186.02831	0.5
187.04057	0.5
189.02008	2.3
191.03519	0.9
195.11526	0.3
197.02457	2.4
201.01926	3.8
203.03505	0.6
213.01942	6.3
213.58890	0.3
217.01428	9.0
218.01866	0.4
229.01421	10.3
230.01933	0.9
231.03082	0.6
241.01434	13.3
242.99319	0.3
255.99942	0.4
257.00870	2.2
259.02499	1.8
285.00430	100.0
286.00763	7.4
303.01468	46.0
303.12769	0.5
303.16196	0.6
303.21466	0.5
304.01770	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	302.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.7
69.27452	3.8
69.27871	0.8
70.02979	1.1
71.01389	7.2
71.83079	0.5
73.02917	0.5
74.02508	0.5
75.00861	1.8
84.04544	1.3
85.02946	0.8
89.02428	0.5
91.12103	0.5
94.02985	2.0
95.05047	0.8
97.01694	1.2
97.15845	0.4
98.06108	0.7
101.02429	0.5
110.02486	1.0
112.04060	36.3
113.02437	0.8
113.06081	0.7
116.07173	0.9
117.02019	0.5
122.06125	3.6
124.04056	30.7
125.04414	1.1
130.08740	1.1
135.02989	4.7
140.07193	17.6
141.07532	0.9
166.05095	1.9
171.06671	1.7
184.06161	100.0
185.06514	4.2
189.01720	0.5
258.14581	0.7
302.08752	3.3
302.16974	0.6
303.05914	0.7
303.14401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04575	1.4
57.03437	1.5
58.02987	8.0
59.01385	60.2
67.05531	5.8
69.03451	5.0
69.85694	1.5
71.01379	6.2
71.05045	2.9
71.07537	3.4
75.00910	1.6
82.02984	2.1
83.01385	9.3
83.05032	2.1
84.04572	2.7
85.02966	3.8
86.06118	2.6
87.00876	3.6
93.03462	2.1
96.04562	5.4
98.02494	4.2
98.06126	1.8
100.07695	8.5
100.74130	1.6
109.02956	1.6
110.02448	2.1
110.06133	23.0
111.04535	50.2
111.06392	1.5
112.04075	8.0
112.04780	2.0
113.02474	10.1
124.04028	4.9
126.05624	3.4
126.09245	6.1
127.04040	9.2
128.07193	50.8
129.05600	10.1
129.07503	1.9
131.03497	2.7
135.03044	2.2
137.02457	42.6
138.03012	1.6
139.04037	15.1
140.03497	5.9
140.04375	13.1
140.07248	2.0
142.08737	7.5
144.06595	1.5
144.10307	4.3
146.08243	73.9
147.08571	2.6
154.05128	2.0
155.03529	36.2
170.08261	21.0
171.06682	2.2
173.04565	13.6
184.06181	20.1
185.44640	1.4
188.09297	22.1
200.01729	1.6
212.61961	1.5
222.11342	2.7
229.13585	1.6
240.12418	10.9
258.14993	2.2
266.10410	6.7
284.11429	56.4
285.11673	3.6
302.12476	100.0
303.12781	8.1
303.15799	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	302.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02400	6.4
64.02730	2.6
65.00327	11.8
66.00678	3.7
70.72440	1.6
79.64188	0.7
80.02705	1.0
83.01399	7.9
84.01720	1.8
98.19922	0.9
107.01405	15.2
107.02142	0.9
108.01690	4.9
108.02213	6.4
109.01888	0.6
109.02459	4.1
123.04559	2.3
124.04874	1.7
134.03754	18.7
135.04085	16.7
136.01656	5.4
137.02020	2.7
149.06094	9.0
150.06429	13.1
151.00385	32.2
152.00723	25.5
153.00856	1.9
156.79837	0.9
164.01163	4.9
165.01486	5.4
169.01387	1.7
170.01776	1.2
175.03583	1.3
176.04420	1.2
177.01973	3.7
178.02321	3.5
196.00165	3.2
197.00478	3.0
200.04332	1.0
202.02402	1.1
211.13454	0.9
215.04012	0.7
229.14610	0.8
256.03271	1.0
258.03912	1.0
286.04224	1.6
287.04221	8.1
298.72034	0.8
302.07535	100.0
303.07822	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	301.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
65.00339	0.4
65.99519	0.2
69.42865	1.2
69.43298	0.9
71.01353	0.4
75.10520	0.3
83.01394	0.3
89.02392	0.4
91.04015	0.8
107.01416	0.9
110.00103	0.3
111.08149	0.5
121.02955	0.5
124.01648	0.3
151.00430	1.4
165.01945	0.8
165.12854	4.1
165.99120	0.4
178.99919	0.4
183.13916	100.0
184.14253	6.1
186.49745	0.3
204.07376	0.3
209.11853	2.7
227.12886	4.4
245.04630	0.4
273.04016	0.5
286.04886	0.7
300.99908	1.8
301.03549	1.7
301.07242	1.4
301.11194	0.4
301.16617	10.4
302.16934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1663
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.73058	0.2
59.96738	0.2
60.97503	1.0
70.54326	0.2
71.54760	0.4
74.99090	1.0
118.96289	1.1
120.97843	0.4
134.99419	6.0
135.00443	0.3
136.97327	1.9
141.07375	0.3
143.05351	1.9
159.08463	1.6
161.06406	5.6
162.06654	0.3
177.61607	0.3
201.04109	0.9
203.05675	3.6
204.05617	0.2
205.03656	1.6
215.05650	1.1
217.07220	89.4
218.07336	7.1
235.08241	0.4
261.06113	0.6
283.12033	0.7
285.13498	37.4
286.13620	4.2
290.63034	0.3
300.99942	1.4
301.16632	100.0
302.16837	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.5
59.01389	100.0
69.23497	15.9
71.01392	2.7
73.02969	2.5
93.03420	2.0
98.20650	3.1
109.02251	1.7
109.03003	1.7
124.05325	5.1
130.08794	8.7
139.07671	25.3
149.04509	1.7
149.09769	2.0
151.07632	6.8
155.37431	1.5
169.08688	4.7
179.10782	7.1
183.10258	2.1
187.72171	1.9
193.12241	2.8
210.03316	1.6
222.06407	3.5
223.13371	8.3
234.54163	1.5
240.07463	1.6
241.14471	57.0
242.14816	2.5
259.33856	1.7
276.61990	1.7
283.10968	2.2
284.06473	2.9
300.99991	4.1
301.03424	2.9
301.09103	2.3
301.12265	2.8
301.17511	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61020	0.1
58.89937	0.1
59.01388	1.1
69.42342	0.1
69.52749	0.9
71.01392	0.2
83.04981	0.2
89.02438	0.2
91.04015	1.0
107.01352	0.3
107.43467	0.1
109.02962	0.2
110.03310	0.2
111.08173	0.4
114.20419	0.1
121.02930	0.3
151.00401	0.8
165.12856	4.1
178.99899	0.2
183.13908	100.0
184.14246	5.6
199.03989	0.2
199.99121	0.1
209.11839	2.7
212.04745	0.3
224.04771	0.2
227.12906	4.8
227.15175	0.3
228.13203	0.2
240.04300	0.6
241.05064	0.7
256.49869	0.2
257.08127	0.4
268.03809	0.4
283.06183	1.3
284.06656	0.2
301.00272	1.0
301.03448	0.6
301.07019	1.1
301.16589	9.7
301.20090	0.7
302.16959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1447
Annotation	Nordihydroguaiaretic acid
Peak:m/z	Relative Intensity
59.01389	2.2
61.98836	1.2
63.02408	0.9
65.00322	1.4
65.03965	0.6
67.01888	0.9
71.55228	0.4
79.40175	0.4
83.01391	1.0
86.94615	0.4
93.03468	4.6
95.01389	0.7
97.51077	0.4
105.03484	0.5
106.04293	0.6
107.01395	1.8
108.02176	2.0
109.02955	1.0
112.15952	0.4
117.03465	0.5
119.05046	0.5
121.02968	7.2
122.03772	7.0
123.00867	0.7
123.04500	1.6
125.02505	0.6
131.08665	0.6
133.02954	1.4
134.03792	0.5
135.04547	4.0
136.01715	1.5
136.05347	0.6
137.02417	1.1
138.03198	0.5
139.04022	0.4
143.04987	0.7
145.02965	0.5
145.06589	0.9
147.04514	0.7
148.01689	2.6
149.02458	30.5
150.03244	3.3
151.00369	4.2
152.01251	0.5
159.04546	0.7
159.08159	0.7
161.02461	17.4
161.06117	0.4
162.02901	0.6
163.04021	1.9
164.01244	0.5
165.01947	2.6
165.05457	0.5
166.02654	0.6
173.02419	0.5
173.06091	1.2
175.04025	2.8
175.07666	6.0
177.01988	0.4
177.12883	0.9
178.99884	1.4
180.04324	1.0
182.02258	0.7
183.13986	1.2
183.61642	0.4
185.02455	0.8
185.06058	0.7
187.03992	1.5
187.07635	1.2
189.01924	1.3
189.05592	3.8
190.06406	0.5
201.01953	0.6
201.05528	0.9
202.06293	0.6
203.07173	5.0
204.07899	1.6
212.08446	1.7
214.06438	1.4
217.05074	1.1
219.97748	0.8
225.05544	0.7
227.10783	2.4
229.15985	4.4
230.16354	0.7
231.06831	0.6
232.07434	0.9
240.08000	0.7
243.13977	0.7
245.00894	0.4
245.15489	13.6
246.06929	0.7
246.15855	1.0
250.08545	0.4
253.05103	0.7
255.10310	0.8
255.13893	0.5
257.11951	0.6
257.12866	0.6
257.15503	4.8
258.15924	0.6
268.07581	0.5
273.04120	0.7
273.15009	27.8
274.15289	2.2
279.46069	0.4
283.11066	0.9
283.99695	0.8
286.04822	0.6
299.99109	0.6
300.99957	10.3
301.03558	6.6
301.11618	4.0
301.14514	100.0
302.00278	0.9
302.11469	0.9
302.14828	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	301.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.3
57.03456	6.2
59.01371	0.8
62.26023	0.4
69.03462	15.6
69.42786	2.8
71.01390	2.3
71.05025	3.6
73.02969	0.4
83.01431	0.5
83.05067	0.5
88.04049	5.3
90.09541	0.4
93.03513	0.4
107.01417	1.1
109.02972	1.4
111.08169	3.6
111.61758	0.4
113.06104	2.0
115.00390	1.4
121.02960	0.6
122.06122	0.6
123.08167	1.8
124.01640	0.4
125.02475	0.6
132.03098	0.4
132.04576	0.4
139.11308	20.4
140.11658	0.9
143.05147	0.4
151.00391	1.8
163.00334	0.6
166.12383	0.4
178.99858	0.4
183.10275	100.0
184.10582	4.6
184.13333	0.5
185.66962	0.3
186.14995	1.3
187.13379	2.2
193.79311	0.4
209.11932	0.5
213.05418	0.6
227.12920	1.6
228.66652	0.4
257.12973	1.2
258.17157	0.8
271.06110	0.4
271.09756	0.4
273.04050	1.0
273.07806	0.7
300.99902	1.2
301.03491	3.3
301.07199	1.8
301.12949	10.1
301.16327	0.8
302.13184	0.8
302.16196	4.3
309.91486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.4
59.01392	0.6
63.02410	0.5
65.00330	0.9
67.01897	32.8
68.02232	0.4
70.49968	1.3
91.01974	0.4
93.03492	0.6
95.05022	0.4
107.01414	1.2
107.05066	0.9
108.02258	0.4
109.02992	0.4
113.24212	0.4
117.03480	1.0
121.02984	1.1
122.03733	0.5
123.00907	0.5
130.04272	0.7
135.00861	0.6
136.01701	0.6
136.05304	4.8
137.02533	0.4
148.05324	11.9
149.05627	0.5
151.00354	1.9
151.04033	1.0
152.00963	0.4
153.95700	0.4
161.02469	0.7
162.03172	0.4
163.04013	1.5
165.01872	0.4
168.04369	0.4
171.08145	2.0
178.99892	0.8
179.08679	0.4
180.04285	0.3
183.08153	0.6
185.02486	0.4
195.08128	0.7
195.11784	5.7
197.09764	0.6
209.09718	1.4
213.09235	1.3
221.09891	0.5
227.10796	13.1
228.11119	0.6
229.08731	1.6
239.10789	97.7
240.11122	6.5
245.04652	0.3
257.00919	0.4
257.08179	0.8
257.11938	0.9
265.08658	4.0
273.04361	0.5
273.07626	0.7
283.09763	7.1
284.10260	0.5
286.03998	0.5
300.99838	3.5
301.03955	3.1
301.10815	100.0
302.07898	0.7
302.11148	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	301.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.4
59.01392	0.6
63.02410	0.5
65.00330	0.9
67.01897	32.8
68.02232	0.4
70.49968	1.3
91.01974	0.4
93.03492	0.6
95.05022	0.4
107.01414	1.2
107.05066	0.9
108.02258	0.4
109.02992	0.4
113.24212	0.4
117.03480	1.0
121.02984	1.1
122.03733	0.5
123.00907	0.5
130.04272	0.7
135.00861	0.6
136.01701	0.6
136.05304	4.8
137.02533	0.4
148.05324	11.9
149.05627	0.5
151.00354	1.9
151.04033	1.0
152.00963	0.4
153.95700	0.4
161.02469	0.7
162.03172	0.4
163.04013	1.5
165.01872	0.4
168.04369	0.4
171.08145	2.0
178.99892	0.8
179.08679	0.4
180.04285	0.3
183.08153	0.6
185.02486	0.4
195.08128	0.7
195.11784	5.7
197.09764	0.6
209.09718	1.4
213.09235	1.3
221.09891	0.5
227.10796	13.1
228.11119	0.6
229.08731	1.6
239.10789	97.7
240.11122	6.5
245.04652	0.3
257.00919	0.4
257.08179	0.8
257.11938	0.9
265.08658	4.0
273.04361	0.5
273.07626	0.7
283.09763	7.1
284.10260	0.5
286.03998	0.5
300.99838	3.5
301.03955	3.1
301.10815	100.0
302.07898	0.7
302.11148	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	301.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42124	0.5
59.01468	2.2
63.02459	0.8
65.00417	1.8
65.04034	0.7
71.01460	1.2
85.03055	0.7
85.14107	0.6
88.31456	0.6
89.49160	0.5
95.01491	1.7
96.96118	0.6
97.06704	0.9
98.19911	0.9
99.01006	13.4
99.08244	0.7
101.02561	0.8
107.01518	1.9
107.20435	0.6
108.02287	1.7
108.48130	0.5
109.02964	15.5
113.02517	0.8
121.02955	3.8
123.00881	6.1
123.04652	2.1
124.01691	5.3
125.02531	0.7
127.15265	0.6
133.03079	1.7
134.03772	6.6
135.01057	0.7
135.04623	2.1
136.00658	1.6
136.01672	50.6
137.02472	20.0
138.03296	3.8
139.04033	4.0
145.03064	0.9
149.02446	7.5
149.06102	13.5
150.03238	32.9
151.00388	5.2
151.04076	4.0
152.01178	1.0
155.10916	0.6
161.02591	2.2
162.03239	1.0
163.04118	2.2
165.02103	0.5
165.05577	20.6
175.07722	1.0
177.05682	1.0
178.99976	1.9
181.06711	0.6
183.10371	2.7
183.14067	1.0
197.05983	0.7
201.05772	0.6
201.11467	1.6
209.06189	0.9
209.11909	1.3
213.01988	0.9
218.72328	0.7
225.05708	1.6
227.03629	0.9
227.07166	2.1
243.06731	0.6
253.05075	5.0
254.05605	1.0
255.02946	1.1
256.03751	6.3
257.04526	1.7
268.07736	0.7
270.05350	3.9
271.06140	28.6
272.06589	2.5
273.04016	0.7
283.02460	0.8
285.07602	6.2
286.08481	100.0
287.08768	9.5
300.99872	6.4
301.03494	7.7
301.07254	4.2
301.10812	58.5
301.16568	1.8
301.20111	14.2
302.11124	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	301.1083
Annotation	3',4'-Dihydroxy-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
54.42124	0.5
59.01468	2.2
63.02459	0.8
65.00417	1.8
65.04034	0.7
71.01460	1.2
85.03055	0.7
85.14107	0.6
88.31456	0.6
89.49160	0.5
95.01491	1.7
96.96118	0.6
97.06704	0.9
98.19911	0.9
99.01006	13.4
99.08244	0.7
101.02561	0.8
107.01518	1.9
107.20435	0.6
108.02287	1.7
108.48130	0.5
109.02964	15.5
113.02517	0.8
121.02955	3.8
123.00881	6.1
123.04652	2.1
124.01691	5.3
125.02531	0.7
127.15265	0.6
133.03079	1.7
134.03772	6.6
135.01057	0.7
135.04623	2.1
136.00658	1.6
136.01672	50.6
137.02472	20.0
138.03296	3.8
139.04033	4.0
145.03064	0.9
149.02446	7.5
149.06102	13.5
150.03238	32.9
151.00388	5.2
151.04076	4.0
152.01178	1.0
155.10916	0.6
161.02591	2.2
162.03239	1.0
163.04118	2.2
165.02103	0.5
165.05577	20.6
175.07722	1.0
177.05682	1.0
178.99976	1.9
181.06711	0.6
183.10371	2.7
183.14067	1.0
197.05983	0.7
201.05772	0.6
201.11467	1.6
209.06189	0.9
209.11909	1.3
213.01988	0.9
218.72328	0.7
225.05708	1.6
227.03629	0.9
227.07166	2.1
243.06731	0.6
253.05075	5.0
254.05605	1.0
255.02946	1.1
256.03751	6.3
257.04526	1.7
268.07736	0.7
270.05350	3.9
271.06140	28.6
272.06589	2.5
273.04016	0.7
283.02460	0.8
285.07602	6.2
286.08481	100.0
287.08768	9.5
300.99872	6.4
301.03494	7.7
301.07254	4.2
301.10812	58.5
301.16568	1.8
301.20111	14.2
302.11124	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	301.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51808	0.4
67.01902	5.1
69.28678	1.3
69.29102	1.9
74.67365	0.3
93.03464	13.6
95.01389	1.3
108.02196	6.1
109.02981	0.8
120.02191	0.6
121.02984	5.0
123.00936	0.9
134.03743	0.9
135.04582	2.5
136.05336	1.1
137.02553	0.5
148.05333	1.2
149.02487	1.4
150.03264	0.4
151.00418	1.5
151.04033	5.6
153.02023	0.5
163.04028	0.5
165.01988	0.5
167.08702	0.6
183.13982	0.5
192.40668	0.4
195.11862	0.4
197.06142	0.6
206.56738	0.3
211.07674	11.5
212.08449	50.3
213.08829	4.1
223.07747	1.3
224.08441	1.0
225.09138	0.9
227.10799	71.6
228.11121	6.6
237.87909	0.4
239.10780	5.0
240.11049	0.5
241.08817	0.8
251.98804	0.4
255.10283	6.7
257.11844	32.8
258.12225	2.2
286.05084	0.4
300.99823	1.5
301.10828	100.0
302.11179	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52390	0.9
51.55102	0.8
54.09456	1.0
55.44991	0.8
59.01373	1.5
63.02405	1.3
65.00326	2.9
70.92226	2.4
83.67929	0.9
85.02996	0.9
93.03463	1.4
95.01384	1.9
97.02936	1.3
107.01400	1.7
108.02193	1.7
109.02959	18.4
115.59810	0.9
121.02953	3.6
123.00890	7.5
123.04501	2.5
124.00853	1.4
124.01674	15.8
133.02937	3.2
134.03767	8.2
135.04549	26.1
136.01677	51.5
136.04872	1.1
137.02473	21.1
138.03262	6.5
139.04028	16.5
140.04359	1.1
147.04558	0.9
149.02464	6.6
149.06096	18.5
150.03235	36.5
151.00400	4.2
151.04002	4.2
161.02460	15.2
162.03273	0.8
163.00400	0.8
163.04028	1.9
165.01949	9.7
165.05576	19.7
173.06129	1.0
177.05641	0.8
179.03510	1.0
183.13948	1.2
187.04085	1.0
200.04655	0.9
209.06055	1.0
225.05621	1.5
226.02719	2.5
227.07176	2.1
229.08699	1.7
253.05023	7.4
256.03772	7.6
257.04333	1.4
257.17566	1.7
269.04544	3.9
270.05289	3.2
271.06146	31.0
272.06396	1.8
273.03998	1.0
285.07669	3.6
286.08514	100.0
287.08786	8.9
300.99826	7.2
301.03470	6.7
301.07162	8.2
301.10800	52.2
301.14218	1.4
302.07944	0.9
302.11118	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	301.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15645	0.3
58.41760	0.3
63.02406	0.3
69.47102	2.2
73.79426	0.3
80.02697	0.7
91.01917	0.8
93.03491	2.1
99.14122	0.3
106.04250	1.8
107.01401	0.5
108.02185	15.4
109.03007	2.8
121.02973	4.0
123.00911	1.4
123.04542	12.2
124.04846	0.7
132.02180	4.1
133.02982	0.5
135.00887	2.8
136.01654	0.9
137.02460	11.7
145.02965	0.6
147.00920	0.7
147.04533	1.9
149.06071	0.3
151.00424	0.9
151.04018	7.8
153.01953	0.5
161.02513	0.6
162.03247	3.4
163.04065	0.4
165.01944	100.0
166.02292	4.2
169.06592	0.5
177.05551	2.5
179.03510	3.4
180.04300	40.8
181.04649	2.1
182.14807	0.3
183.13730	0.3
197.06100	4.7
207.56145	0.3
209.06282	0.3
211.07840	0.4
212.03329	0.4
224.04765	0.6
225.05583	20.8
226.05934	1.8
227.10794	0.5
239.07146	1.4
240.07930	21.8
241.08318	1.3
252.04291	0.6
253.05087	5.4
255.10283	27.9
256.08038	0.4
256.10559	2.3
257.11804	0.9
267.06628	0.9
268.07425	8.4
269.07782	0.5
271.09906	0.7
283.06204	1.0
283.09778	8.6
284.10086	0.6
301.00168	1.6
301.03500	0.9
301.07443	1.4
301.10822	34.4
302.11206	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68577	1.5
57.02301	1.4
58.02981	2.3
59.01387	15.9
59.13233	1.5
69.45689	3.8
69.46085	10.3
71.01389	3.9
74.02469	2.8
87.00880	4.3
93.03478	8.9
98.02454	2.2
98.20654	2.9
110.06139	2.4
111.04522	3.5
112.04071	3.5
115.00338	2.1
116.07191	2.5
117.05567	3.7
121.02965	9.1
123.00906	4.3
124.04054	2.9
125.02542	1.5
125.06114	2.1
126.05612	3.4
128.07195	10.3
129.10362	1.9
135.02960	1.9
137.02480	8.9
138.03169	3.3
139.04024	100.0
140.04413	2.1
140.07253	2.2
144.06723	1.8
145.01392	7.1
146.08250	5.6
151.00334	2.9
155.03569	3.2
165.01884	3.3
173.04477	1.9
181.05042	2.1
184.06123	8.7
188.09270	6.0
284.11539	2.2
300.99945	1.7
301.05692	4.7
301.09225	5.4
302.12378	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	301.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
61.91883	0.4
62.99173	0.4
65.00359	0.6
70.27905	0.8
70.28271	0.8
78.95909	4.3
78.96268	0.4
79.05544	0.5
85.71716	0.4
91.01902	0.7
93.03477	0.6
107.01428	1.2
108.02219	1.5
121.02940	0.9
122.03751	22.7
123.00899	0.9
123.04573	0.6
125.02377	0.4
135.00925	3.0
135.04568	0.5
149.02429	1.1
150.03238	57.8
151.00397	2.5
151.03581	2.8
159.04575	0.5
161.02493	0.8
165.05579	100.0
166.02791	0.5
166.05898	3.8
174.03322	1.0
178.99902	0.7
183.13960	0.8
212.08380	0.6
225.05583	0.8
227.10762	0.9
252.04355	0.8
253.05058	7.9
267.06583	1.6
268.07410	0.8
271.02402	0.5
271.05695	0.5
283.09772	10.4
284.10037	0.9
286.04819	0.7
300.99835	6.4
301.03461	3.8
301.07034	1.0
301.10757	2.5
301.14655	3.0
302.00400	0.5
302.03958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0933
Annotation	Tachioside
Peak:m/z	Relative Intensity
59.01382	2.8
69.73770	0.8
69.74184	1.1
71.01385	2.5
73.02953	0.6
76.56743	0.3
83.01441	0.7
85.02932	0.4
87.00856	0.7
87.15572	0.4
93.03468	6.7
95.01403	2.0
98.19990	0.6
99.00899	0.4
101.02437	1.4
109.02924	0.5
110.06133	1.0
111.04521	1.6
112.04117	0.8
113.02505	1.7
121.02964	8.6
123.00900	35.6
124.01627	2.2
124.04085	0.5
125.02470	0.6
127.03989	0.6
128.07227	1.7
135.03044	0.4
137.02440	3.8
138.03246	22.4
139.04025	100.0
140.04375	3.3
142.08745	0.4
145.01408	0.4
146.08260	2.0
149.02486	0.7
151.04021	0.7
153.02074	0.4
155.03523	1.2
161.04631	0.9
163.04056	0.4
165.01942	1.0
166.02734	0.6
170.08270	0.7
176.49507	0.3
181.05077	1.9
184.06146	1.8
188.09335	0.9
193.05037	0.9
197.87874	0.3
240.12384	0.4
254.23898	0.3
273.47141	0.3
284.11313	1.7
301.06296	0.5
301.09174	2.7
302.12463	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0721
Annotation	Artocarpanone
Peak:m/z	Relative Intensity
55.75926	0.5
56.32501	0.5
57.40248	0.6
57.77222	0.6
58.14677	0.6
59.01381	1.5
65.00323	1.1
65.03970	9.8
67.01898	4.5
70.71960	1.6
74.74727	0.6
80.02679	1.9
83.01411	0.7
91.01909	9.8
93.03507	0.9
95.01402	2.2
96.21929	0.6
107.01396	8.7
108.02194	10.5
109.02964	93.9
110.03304	1.9
111.00851	0.7
121.02944	2.9
121.75896	0.8
122.03763	3.0
123.00893	18.1
123.04530	0.9
124.01667	2.2
135.00906	18.5
135.04475	1.2
136.01680	18.8
137.02411	3.1
139.11330	0.7
148.01663	2.3
149.02470	3.0
150.03249	3.6
151.00346	3.7
151.03996	0.7
153.01987	4.6
153.05553	1.3
163.00386	19.1
163.04034	2.2
164.00977	1.3
165.01952	1.8
165.05553	1.1
178.99818	1.4
181.82458	0.6
183.04501	1.0
183.10255	2.7
211.04047	1.1
213.05507	0.7
214.06319	0.7
223.03979	1.1
224.04559	0.6
227.12856	0.9
228.04163	0.8
236.47949	0.7
239.03613	1.5
240.04300	3.2
241.04884	2.5
242.05901	6.1
243.06342	0.8
255.03168	1.2
256.03705	1.7
257.03818	1.0
257.08258	4.7
258.05383	13.1
259.05725	1.7
268.03769	3.8
271.06110	1.7
273.07709	100.0
274.08054	7.4
283.06232	0.7
286.04022	3.7
301.00131	1.1
301.03534	5.4
301.07162	50.4
302.07611	3.5
307.57513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0715
Annotation	7-O-Methylaromadendrin
Peak:m/z	Relative Intensity
59.01390	0.4
59.84886	0.2
63.02409	0.5
65.00330	6.7
83.01402	0.5
89.00349	1.7
91.01898	1.4
93.03493	0.4
97.02960	4.1
107.01390	1.5
107.05022	0.9
109.02991	2.8
117.03493	0.3
119.09673	0.2
119.93050	0.2
121.02962	3.0
125.02443	0.3
133.02928	0.4
134.03770	2.2
134.06137	0.7
135.04535	100.0
136.01649	0.4
136.04852	4.1
137.02460	2.1
139.04015	0.4
139.07907	0.3
149.99565	2.0
151.00374	4.3
161.02440	1.4
164.01169	0.4
165.01938	36.4
166.02304	1.2
178.99858	1.4
183.13910	0.7
227.80284	0.3
229.31638	0.3
245.04555	0.9
258.11398	0.7
271.03943	0.5
273.03992	0.7
283.06024	0.4
283.10849	0.6
283.99570	0.3
286.06189	2.1
300.99911	3.2
301.03531	5.2
301.07175	17.8
301.24072	0.4
302.04089	0.5
302.07480	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	301.0719
Annotation	3,7,2'-Trihydroxy-4'-methoxyisoflavanone
Peak:m/z	Relative Intensity
55.45924	0.3
59.01387	0.9
63.02403	13.1
63.38833	0.3
64.02737	0.5
65.00330	9.5
69.75378	1.6
71.01394	0.4
80.02689	0.5
81.03444	0.3
83.01390	10.6
89.97207	0.3
91.01922	0.3
93.03464	0.7
102.15040	0.3
107.01400	26.9
108.02224	3.6
109.02993	0.6
121.02951	0.5
123.00867	0.5
123.04513	0.6
124.01689	0.4
125.02437	0.3
134.03758	1.0
134.99448	0.3
135.04492	0.8
136.01688	3.5
137.02446	1.0
148.01672	1.1
149.99602	5.2
151.00380	74.0
152.00720	2.3
161.02399	0.3
163.00389	0.4
164.01149	4.8
165.01912	0.9
165.12843	0.5
167.04980	0.3
169.01436	3.8
174.03220	0.7
175.03979	0.4
177.01981	0.9
178.99855	0.7
183.13936	1.7
196.00159	3.9
199.04036	0.7
206.99323	0.3
211.03847	0.3
213.05481	0.4
224.04747	0.8
225.05396	0.3
228.04311	0.4
240.04231	0.4
241.05072	0.5
242.05745	0.5
245.04584	0.7
256.03735	0.9
257.04483	0.8
257.08087	0.3
268.03757	2.2
269.04324	0.3
271.02481	4.0
271.05765	0.5
273.04065	1.4
283.02911	0.3
283.06155	2.2
284.06613	0.4
285.04019	0.6
286.04852	33.9
287.05197	3.2
300.99918	3.1
301.04068	3.4
301.07172	100.0
301.20270	1.2
302.04037	0.4
302.07538	8.1
302.20456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.5
59.01385	1.9
63.02389	1.7
64.63789	0.6
65.00344	2.7
71.55208	0.9
78.95913	3.7
79.05542	1.3
83.01401	2.0
88.62154	0.5
93.03464	3.3
99.92589	1.2
107.01404	5.4
107.05042	12.1
108.02145	0.7
109.02953	1.3
121.02960	4.1
123.00858	1.2
125.02471	1.1
126.70180	0.5
131.05029	1.9
131.08646	0.8
132.89272	0.5
135.04512	1.1
139.21112	0.5
145.02962	0.8
149.02487	1.1
151.00377	14.0
151.28752	0.5
152.01163	0.8
157.02968	0.6
157.06604	14.2
158.06926	0.7
159.04539	2.7
160.05283	1.3
161.02399	0.6
163.00346	0.9
169.01448	0.8
173.02486	0.7
175.07652	13.7
176.08023	0.6
177.01918	0.6
178.99886	4.3
183.13861	2.1
201.05589	22.4
202.05936	1.2
212.08363	1.2
215.83737	0.5
219.06635	100.0
220.06999	5.6
226.86369	0.5
227.03575	0.7
227.10768	3.0
233.06674	2.5
245.04535	2.0
255.10110	0.5
257.06717	0.9
257.11722	0.8
259.04602	2.9
260.05048	0.7
271.05640	0.7
273.04141	2.7
275.07794	3.3
286.07806	0.5
299.99118	0.8
300.99887	10.3
301.03510	14.8
301.06052	5.2
301.10458	4.1
301.15317	0.6
301.24203	0.6
301.99203	1.7
302.06320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0356
Annotation	Bracteatin
Peak:m/z	Relative Intensity
59.01387	1.9
63.02403	8.1
65.00334	15.1
65.00683	0.7
69.74812	0.4
70.72866	1.3
83.01399	9.1
89.46591	0.5
93.03462	4.1
95.01389	0.8
106.06638	0.8
107.01405	24.5
108.04569	3.7
109.02947	3.4
121.02972	20.7
121.05354	0.7
122.03299	1.1
123.00916	0.7
124.01691	1.1
124.07704	1.8
125.02463	1.4
136.01717	0.9
136.07692	8.3
137.02444	1.1
138.67542	0.4
139.04034	1.8
145.03014	0.6
149.02457	3.2
150.03267	0.5
150.05685	0.6
151.00386	65.7
152.00731	2.4
159.04550	1.4
161.02451	1.1
163.00374	1.6
163.04070	1.1
164.01178	2.1
165.01904	1.1
169.01460	1.4
171.04507	0.8
175.03990	0.8
178.99879	23.1
180.00249	1.3
183.04494	1.3
183.13911	8.5
185.06061	0.5
187.04036	0.9
193.01437	1.5
201.05573	0.7
203.03545	1.1
211.03993	1.0
215.03571	1.0
227.03523	1.3
227.12888	1.1
228.04187	0.5
229.05110	2.6
239.03412	0.6
243.03050	0.8
245.04568	1.9
255.03081	3.8
257.04581	3.5
257.12976	17.6
258.04889	0.6
258.13269	1.2
273.04050	3.3
283.02527	2.7
284.03052	0.6
286.03912	1.8
286.08740	0.6
301.03552	100.0
301.16611	1.6
301.20215	2.2
302.03937	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	300.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16982	0.7
59.01382	2.4
65.00311	0.8
69.22544	7.4
71.01390	12.4
71.05019	6.4
74.88763	0.7
81.18295	0.7
83.01397	0.8
88.04049	100.0
89.04379	1.5
93.03439	1.2
96.04559	2.9
98.19872	1.6
107.01400	1.5
108.02190	1.1
109.02962	2.0
112.07721	2.8
114.01980	4.2
114.05607	0.9
115.00383	19.8
121.02972	1.8
125.02467	1.5
132.03040	47.2
138.05606	0.7
145.23116	0.8
148.01721	1.2
151.00348	4.9
169.08696	6.4
178.99895	1.1
184.13445	6.8
185.11859	7.4
199.04022	1.5
201.05510	0.7
211.03946	1.1
227.03502	1.9
243.03000	4.6
255.02977	8.6
256.15540	6.5
270.09869	0.9
271.02512	19.2
272.02936	2.1
273.04083	2.3
276.01749	0.9
282.13455	3.9
300.02780	22.2
300.14532	58.7
301.00134	1.1
301.03506	9.6
301.14862	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	300.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	25.7
59.01381	6.7
63.02427	0.6
65.00322	0.5
70.02990	1.2
71.01388	9.1
83.01378	0.6
88.04050	100.0
89.04386	1.3
96.99315	1.0
98.19846	0.8
107.01421	0.6
112.04066	2.4
114.01991	5.1
115.00384	16.1
130.05116	19.8
132.03043	13.2
138.05585	0.6
148.01691	0.6
151.00380	2.6
151.16403	0.4
156.03020	1.4
161.02422	0.9
174.04086	7.2
184.13472	3.5
185.11839	6.1
186.12038	0.5
209.11859	5.1
216.62276	0.5
226.61800	0.4
227.13058	0.5
255.03110	0.5
256.15640	2.2
256.17905	0.4
257.04123	0.7
282.13629	0.9
284.03146	0.7
285.03668	6.0
286.04941	2.3
300.02844	0.9
300.05945	4.4
300.14554	43.0
301.00232	0.5
301.03430	1.3
301.07126	4.8
301.14844	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	300.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04575	8.4
58.02974	3.2
59.01384	6.0
62.81604	0.7
63.26254	0.7
70.02985	8.2
71.01015	1.2
71.01392	21.5
71.53014	0.9
71.53397	1.2
72.04537	4.1
82.02991	4.7
82.06604	1.0
83.05026	1.8
84.04540	1.9
87.05655	1.9
93.03469	3.0
94.03827	1.7
96.04590	1.2
98.02496	12.5
98.06136	2.0
100.07700	2.6
108.04572	2.2
111.05659	21.3
113.04860	0.8
114.05617	19.3
115.05958	1.0
124.07669	2.0
125.04832	0.8
126.05622	34.3
127.03996	0.9
127.05989	1.1
128.08313	3.3
129.06747	1.2
136.07675	2.3
137.02426	2.3
138.02788	2.4
138.04707	0.7
138.05571	4.1
142.08754	6.4
143.08257	3.2
144.06660	11.3
154.08749	3.4
158.47957	0.7
166.09869	1.2
180.06670	1.0
184.10925	11.6
194.13052	1.2
198.07736	8.8
212.14063	1.2
256.13046	100.0
257.13376	5.9
287.34995	0.7
300.11099	1.3
300.15656	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	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00332	0.5
55.21636	0.3
59.01384	2.7
61.18656	0.3
68.01419	3.0
69.27287	3.0
71.01397	1.2
72.99287	0.3
85.02952	0.6
86.18050	0.3
94.06638	0.3
96.04533	0.4
98.20717	0.7
101.02469	0.4
109.01712	0.4
122.02500	0.8
122.06171	0.5
123.03283	7.1
124.07707	1.0
130.08791	0.6
136.07709	0.9
137.04866	1.3
138.05623	100.0
138.89638	0.3
139.05965	3.5
139.07663	0.4
150.05632	0.3
152.07164	1.8
166.08827	0.4
167.03526	0.6
167.05882	2.7
168.03850	0.6
168.06679	0.8
169.09811	0.3
180.06689	5.6
210.07784	0.7
236.61963	0.3
256.94196	0.3
300.10907	15.9
301.11267	1.2
301.16440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	8.8
59.01373	3.8
61.26551	0.9
69.24536	2.6
69.24946	6.2
70.32848	1.0
71.01389	26.7
87.97345	1.1
88.04049	100.0
89.04343	1.6
102.41380	0.9
108.04586	4.9
114.01980	1.8
115.00390	23.5
124.07634	1.4
126.05530	0.9
132.03027	14.0
135.02983	2.8
138.05661	1.4
139.07655	13.0
141.82404	1.2
150.64886	1.1
154.12466	1.3
166.12440	4.9
183.06702	2.3
183.10278	1.2
184.13446	13.9
185.10249	2.1
185.11836	28.5
209.11707	2.0
243.24036	1.0
255.02943	1.2
256.15579	15.5
257.15845	1.2
271.02493	2.0
282.13361	4.2
300.02670	3.1
300.14529	85.3
301.00034	1.8
301.03418	1.8
301.11920	2.2
301.14709	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	300.073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.5
71.01387	1.1
72.99319	0.8
74.02484	0.7
75.00872	4.5
89.02456	1.3
93.03455	0.6
94.03802	0.4
95.05035	0.9
98.65108	0.4
100.03362	0.3
117.01891	0.6
120.04549	0.7
122.03288	0.4
123.03279	23.0
124.03610	0.5
125.06090	1.0
135.03009	23.6
136.03294	0.4
137.02431	0.7
138.05623	100.0
139.04095	0.3
139.06007	3.9
143.11963	0.5
149.02480	0.7
150.22858	0.4
151.00374	0.4
154.05011	0.4
156.06728	0.5
164.03552	0.5
169.05167	0.4
169.06567	0.4
182.71561	0.4
239.12674	0.4
265.17715	0.3
271.06149	0.4
294.03302	0.4
300.06592	0.6
300.10931	0.9
300.19165	0.5
301.07150	0.6
301.13031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1656
Annotation	Artepillin C
Peak:m/z	Relative Intensity
59.01385	15.9
63.02407	1.0
65.00327	0.8
71.01399	0.4
71.54890	0.6
83.01373	0.5
87.81997	0.4
88.98489	0.3
92.81569	0.4
93.03468	0.5
96.96006	0.4
102.98823	0.3
107.01378	0.5
109.02962	1.5
117.03507	0.4
121.03005	0.9
131.05013	0.8
132.05824	19.8
133.02969	1.5
133.06621	8.3
135.04515	0.6
137.02502	0.5
138.05649	1.1
143.05026	0.7
145.06581	1.7
147.04706	0.4
148.01620	0.5
149.02504	0.5
149.99571	0.4
151.00349	0.9
157.02939	0.5
161.02411	0.6
164.04816	20.7
165.05200	0.7
171.04512	1.5
171.08194	1.5
173.02419	0.4
174.99261	4.2
175.03996	1.3
176.04782	0.8
185.09695	1.6
187.04025	0.6
198.03180	0.8
199.02368	0.5
199.04018	3.7
200.04707	0.4
201.01909	1.1
208.03787	1.9
215.03516	1.4
215.06935	0.4
217.00322	15.5
217.02371	0.9
218.00717	0.9
220.14761	0.8
226.02794	0.9
227.03528	1.8
228.04321	0.6
231.17567	4.1
242.02063	0.6
243.03033	1.6
255.03052	0.7
255.17574	40.3
256.17960	4.3
269.04639	2.0
271.02493	19.0
272.02939	1.6
281.08249	1.1
283.02576	0.5
284.03287	7.0
284.06747	3.3
285.03809	0.8
287.72949	0.4
299.02017	22.2
299.05573	6.0
299.16501	100.0
300.02466	1.8
300.05722	0.4
300.16806	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	300.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15189	0.5
58.24057	0.5
59.01369	2.2
59.80352	0.6
60.01719	0.9
63.02403	1.1
65.00324	0.9
71.01383	2.7
83.01390	1.1
93.03461	1.4
98.20673	1.3
100.01943	24.6
107.01389	1.9
107.05045	3.4
108.02213	1.0
120.02563	69.9
121.02944	4.0
126.03500	4.0
136.02005	1.6
138.05629	4.2
145.02974	0.7
150.03232	0.7
151.00383	4.2
152.05058	1.7
156.82204	0.6
157.06587	1.5
159.04605	0.9
164.01572	4.9
175.07661	2.7
178.99973	0.8
180.04527	5.5
183.13896	0.8
186.03615	2.6
200.05119	1.3
201.05583	3.5
207.03281	2.0
208.04045	71.8
209.04395	4.8
211.07768	0.8
212.08374	2.4
213.08760	1.1
216.03888	0.7
218.00690	0.8
219.06654	16.2
219.10007	0.7
227.10800	3.5
228.04674	100.0
229.05023	7.0
233.06786	0.8
245.04755	0.8
252.03224	1.3
255.03116	0.8
256.10516	0.8
257.04413	0.7
257.11884	1.3
259.04645	0.9
272.02832	2.7
273.04117	1.3
275.07822	0.7
285.03632	3.9
285.07031	1.0
286.08502	0.7
299.99490	0.8
300.02460	3.6
300.06067	10.5
300.09781	1.9
300.18845	0.8
300.99899	7.8
301.03461	4.4
301.06360	2.0
301.10852	6.8
301.14139	1.1
301.23788	1.1
307.07404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1655
Annotation	Miltipolone
Peak:m/z	Relative Intensity
50.16734	0.3
59.01386	6.4
62.91668	0.3
63.02398	1.1
65.00334	0.9
69.23525	1.5
69.23949	1.2
93.03442	0.6
98.18104	0.3
98.19959	0.7
107.01378	0.6
108.02193	3.8
109.02951	1.3
113.76476	0.3
118.67921	0.3
121.02985	1.0
122.03751	1.9
123.04551	4.5
124.04879	0.3
132.02177	0.6
133.02945	1.3
134.03687	0.3
135.00987	0.5
136.01668	0.8
137.02498	0.3
138.05615	0.9
143.05061	1.1
145.02937	1.1
147.04492	0.9
148.05313	0.6
149.06120	0.5
151.00409	0.6
151.04060	1.9
157.02959	0.4
159.04527	1.1
160.01660	0.6
161.02441	1.0
171.04555	1.2
172.05125	0.4
173.02379	0.6
173.06099	0.7
174.99237	1.2
175.04030	29.4
176.04680	2.2
179.03650	0.3
187.04033	12.1
188.04477	1.0
189.05608	0.8
190.06424	0.7
191.28293	0.3
198.03252	0.6
199.04036	2.5
200.04851	0.7
201.01994	0.7
201.05635	2.0
208.03802	2.2
213.05647	0.3
213.09256	0.9
215.03568	0.8
215.07147	5.7
216.07648	0.5
217.00307	6.5
218.00594	0.4
226.02779	0.5
227.03503	1.1
228.03888	0.4
229.08778	1.9
230.09401	0.7
240.04237	0.5
240.51648	0.4
243.02992	1.3
255.17560	0.4
256.03708	0.4
257.15411	0.3
269.04526	0.8
271.02505	13.4
271.13461	0.4
272.02893	1.2
284.03299	3.3
284.06680	0.9
285.03714	0.6
299.02066	15.7
299.05557	2.0
299.09583	3.1
299.16544	100.0
299.25534	2.4
300.02213	1.9
300.16888	10.4
300.20361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1139
Annotation	Icariside D2
Peak:m/z	Relative Intensity
54.61719	0.2
55.01875	0.5
57.03455	0.9
59.01383	5.6
65.03969	0.4
69.21720	0.8
69.22145	1.1
70.03013	0.2
71.01387	11.1
72.01701	0.2
72.99314	0.5
73.02943	2.7
75.00859	0.2
76.35725	0.2
81.03462	0.9
83.01379	1.1
83.14635	0.2
85.02953	4.6
86.03236	0.2
87.00873	0.3
89.02467	1.3
93.03465	20.8
94.03814	0.6
95.01379	0.7
95.05095	0.2
96.96005	0.2
97.02962	0.3
99.00879	1.2
101.02448	5.1
102.02752	0.2
102.32141	0.2
106.04247	4.7
107.05050	1.8
108.02177	1.0
109.02984	0.3
113.02448	5.1
116.08613	0.2
119.03654	0.3
119.05042	7.6
120.05400	0.3
121.02943	0.5
125.02415	0.2
129.01918	0.2
135.04506	0.8
137.02463	42.7
137.06090	100.0
138.02733	1.1
138.05583	0.7
138.06444	3.3
143.03523	0.2
151.04030	0.6
159.02979	1.1
161.04567	5.3
161.05911	0.4
165.12880	0.2
177.70206	0.2
179.03499	0.8
184.65897	0.2
191.10713	0.3
209.11934	0.2
217.00365	0.2
239.05479	0.3
239.12846	0.4
284.03336	0.6
299.05051	0.4
299.08365	0.9
299.11676	0.3
299.14929	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	299.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31392	0.4
57.48994	0.4
58.02373	0.3
59.01391	1.8
63.02394	0.7
65.00339	0.8
68.90365	0.4
69.81287	1.8
79.77130	0.3
79.95737	1.0
91.01901	0.8
91.71902	0.4
93.03429	0.4
95.01402	0.9
97.02937	0.5
105.65958	0.4
107.01398	0.8
107.05049	0.8
109.02938	0.9
119.05025	0.6
121.02905	0.7
123.00872	1.7
132.04623	0.5
133.02997	1.1
135.00897	1.4
137.02467	0.7
138.05623	0.8
143.05075	0.7
145.02924	0.6
147.00845	0.4
148.01691	1.2
151.00433	1.0
153.07069	0.7
157.06622	0.6
158.03833	0.6
159.04462	0.5
160.01717	0.4
161.02397	0.5
169.06590	1.5
169.10582	0.4
171.04561	3.2
172.05049	0.4
172.82797	0.4
173.06105	3.3
174.99225	0.6
175.04034	0.4
175.07692	2.0
181.06491	0.5
183.04495	1.7
185.02586	0.4
187.04044	0.4
195.04501	1.2
196.05238	0.6
197.02411	0.5
197.06097	8.9
198.03270	1.1
198.06425	0.4
199.04016	7.3
200.04672	0.5
201.05589	1.4
211.03996	0.8
212.04852	0.7
213.05566	3.1
213.09599	0.9
215.03554	0.6
217.00366	1.8
223.04018	1.1
224.04752	0.5
225.05598	4.1
226.02734	0.8
227.03535	3.4
228.04106	0.9
239.03529	1.3
239.16512	0.5
240.04196	2.0
241.05090	16.5
242.05402	1.7
243.03171	0.9
251.03522	1.2
254.02257	1.7
255.02992	1.9
255.06575	1.8
256.03720	2.1
267.02881	0.6
268.03708	1.4
269.04565	100.0
270.04922	7.8
271.02518	9.0
271.05511	0.8
272.02917	0.6
281.04556	0.6
281.08154	1.1
283.02652	1.0
283.06189	1.9
284.03323	17.0
284.06915	52.1
285.03671	1.5
285.07233	4.0
298.94501	1.0
299.02002	11.9
299.05627	15.4
299.09262	39.1
299.12970	1.9
299.18597	1.1
300.02408	1.2
300.05972	1.6
300.09592	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88366	0.5
52.80552	0.6
53.00307	1.1
55.04836	0.7
59.01384	2.7
65.00333	23.5
66.00746	0.5
66.01110	2.3
68.99817	1.7
69.20588	4.6
69.20990	0.9
79.99052	0.9
80.77332	0.6
82.00609	1.1
83.01392	4.0
91.28839	0.6
92.67762	0.6
93.03497	0.9
94.00622	1.4
95.01414	3.3
97.59409	0.5
98.20690	1.2
106.00610	1.4
107.01404	2.0
108.02186	1.8
109.02950	1.8
110.00109	1.1
119.05009	3.0
121.02959	0.9
123.00855	2.9
123.04521	1.3
123.10088	0.6
125.02444	1.0
130.04271	0.7
132.02202	2.0
133.02953	1.5
135.00888	1.6
136.04144	1.2
137.02415	0.7
138.05585	0.6
147.04556	2.2
148.01709	1.6
149.99600	97.3
151.00140	3.4
155.04926	0.6
158.03841	0.7
161.02435	0.6
163.00385	2.9
165.02014	1.1
168.00676	1.5
171.04497	0.9
172.01695	0.6
172.05312	1.8
174.03264	2.7
176.01129	0.9
183.04469	1.1
185.06113	1.0
187.03926	0.9
188.04794	0.6
189.05583	3.5
195.04559	1.1
196.05324	1.9
197.06004	0.9
198.03249	3.9
199.03998	3.4
200.01271	0.8
200.04791	1.9
201.02020	1.5
211.04034	3.3
212.04784	5.1
212.08572	0.6
213.01988	1.4
213.05594	3.8
214.02710	6.3
215.03474	2.4
216.04247	9.3
217.00272	3.5
217.04582	0.7
222.94643	0.6
223.04089	0.6
225.05505	1.3
227.03525	4.1
227.07083	1.5
227.10822	1.2
228.04207	2.2
229.05043	0.6
231.06650	13.0
232.07053	0.9
239.03554	2.0
240.04330	7.5
241.01465	1.1
241.05099	6.8
242.02104	1.0
243.03001	1.0
253.08672	0.8
255.02954	3.3
255.06638	3.7
256.03754	6.0
256.07501	2.0
257.04483	1.1
268.03839	2.0
269.04572	8.4
269.07492	0.9
271.02521	4.9
271.06061	1.0
281.08319	1.1
283.02939	1.0
283.06174	3.4
284.03360	37.4
284.06958	100.0
285.03702	2.5
285.07303	8.1
299.02121	8.6
299.05658	88.0
299.09296	97.2
300.02771	0.9
300.06033	8.3
300.09665	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	299.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40741	0.4
59.01412	1.1
60.51616	0.4
60.89524	0.4
61.45071	0.4
62.08369	0.5
64.46294	0.5
69.09898	0.4
69.35952	3.9
91.47598	0.4
109.02969	3.4
109.50999	0.5
121.03000	0.4
132.02255	0.8
133.03004	2.3
160.01691	2.2
161.02531	0.9
169.06631	1.8
171.04646	0.7
183.04547	0.7
185.06067	4.4
195.04573	0.7
196.05315	0.9
197.06105	5.9
198.03236	9.3
199.03963	1.7
201.05685	0.6
212.04863	0.5
212.08525	0.6
213.05597	15.1
214.05939	1.1
217.00383	1.4
223.03996	3.6
224.04761	0.6
225.05586	3.4
226.02740	3.6
227.03528	1.1
240.04353	0.8
241.05087	10.2
251.03506	3.5
252.04184	1.3
254.02220	7.7
255.02553	0.7
266.05899	0.8
269.04575	70.7
270.04916	4.7
280.66574	0.5
284.06915	100.0
285.07278	9.1
299.02252	0.9
299.05649	1.4
299.09241	16.0
300.09531	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60685	0.3
59.01380	1.3
64.60185	0.3
65.00330	0.7
65.96121	0.3
69.54374	0.9
69.54787	1.6
80.02689	0.6
86.51401	0.4
88.04037	0.5
91.01904	39.1
92.02239	1.2
98.20634	0.7
100.73530	0.3
107.01398	1.0
108.02185	4.4
109.02990	0.8
121.02972	1.8
123.00915	0.5
133.02965	1.9
135.00897	61.5
136.01556	2.1
138.05592	0.4
142.10388	0.4
148.01692	1.6
153.01956	16.0
154.02286	0.8
161.02460	5.6
162.03047	0.9
180.00615	1.1
181.81973	0.4
197.02679	0.5
197.06067	0.8
198.03290	0.5
199.04027	1.4
213.05605	0.6
223.03909	0.5
225.05579	1.6
225.11363	0.6
227.03510	1.3
228.04013	0.5
240.04193	0.8
241.04976	1.3
251.03503	0.5
255.03004	1.0
256.00940	0.4
256.03687	1.5
268.03793	2.1
269.04559	13.3
270.04919	1.2
271.02460	2.8
283.06046	5.3
284.03259	5.2
284.06805	7.0
285.03479	0.4
285.07257	0.6
299.01990	4.0
299.05618	6.9
299.09235	100.0
300.06168	0.4
300.09570	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	299.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22849	0.9
59.01371	4.5
69.56432	6.1
91.01887	1.7
93.03452	1.4
98.20663	1.2
103.63775	1.1
105.03455	2.7
108.02176	1.7
121.02988	2.4
123.04571	1.5
132.02121	1.6
133.02968	4.0
134.03706	2.7
135.00919	1.8
136.05316	8.5
146.03754	9.1
147.00937	1.0
148.01698	2.8
149.02440	2.9
149.06079	2.5
161.02470	13.2
162.03224	10.1
171.08116	1.3
176.01144	1.5
178.02669	1.3
183.08180	1.5
190.02675	2.4
193.01410	1.5
197.06038	1.3
199.04024	1.8
209.09720	6.3
211.04013	1.6
211.07593	1.0
215.03380	1.0
217.00325	3.4
223.07651	30.2
224.07877	2.3
225.09172	3.3
227.03529	3.0
227.10786	20.7
228.04082	1.6
228.10901	1.5
237.09244	7.6
239.03448	2.2
239.07089	1.8
240.04166	2.6
240.07910	19.3
241.05133	1.1
241.08105	1.4
253.08714	10.1
255.02983	2.3
255.10283	7.4
256.03687	3.7
267.06616	27.2
268.06830	1.3
269.04440	1.8
271.02542	4.7
281.08203	100.0
282.08514	6.6
284.03326	19.5
284.06711	3.6
285.03857	1.5
299.01926	4.0
299.05527	23.8
299.09235	55.7
300.06354	1.5
300.09521	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	299.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77420	0.3
55.01886	0.4
55.60793	0.3
59.01380	0.8
70.84454	0.8
71.01376	2.7
72.55438	0.3
73.02961	0.5
83.01394	0.3
85.02947	1.5
89.02454	0.3
89.35452	0.3
93.03467	66.3
94.03794	1.7
101.02447	1.0
107.05030	0.5
113.02484	0.6
137.02461	100.0
138.02783	3.4
138.05664	2.5
146.36098	0.3
151.04044	1.1
161.04668	0.5
211.02107	0.3
299.07742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03455	7.3
58.00613	0.8
59.01382	13.4
62.74508	0.8
71.01391	13.2
71.55019	1.3
72.99298	3.6
73.02943	1.8
75.00883	23.5
78.75378	0.8
83.01395	1.8
84.02197	1.3
85.02959	14.7
87.00884	13.0
88.04065	2.8
89.02451	4.8
89.04397	0.8
93.03465	0.8
97.02989	1.1
99.00880	5.7
101.02458	2.1
111.00906	1.4
113.02443	1.2
114.05639	3.4
119.03497	0.9
119.31983	0.8
120.97775	0.8
121.02971	100.0
122.03316	3.6
129.01961	13.7
132.03069	2.8
133.03462	1.1
135.04561	2.9
137.02473	1.0
138.05667	2.0
140.07213	1.4
151.04060	3.1
159.02994	1.9
177.04062	95.7
178.04446	4.5
227.14070	4.8
246.37756	0.8
269.10440	1.1
284.03293	4.7
292.29974	0.8
294.55411	0.8
299.07852	32.3
299.11349	4.3
300.08273	1.8
302.00281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01653	0.3
59.01377	1.4
61.15105	0.3
65.00330	1.3
67.01895	0.4
68.99817	0.5
69.56872	2.0
72.41718	0.3
80.02687	0.5
83.01411	0.4
85.02950	0.4
91.01907	32.2
92.02250	1.2
93.03449	0.8
98.20700	0.3
107.01405	1.6
108.02192	3.5
109.02985	1.8
110.99555	0.3
121.02976	1.8
123.00883	0.3
127.04047	0.7
133.02986	2.0
134.03735	0.4
135.00899	53.1
136.01576	1.9
137.02420	0.4
138.05644	0.3
145.06628	0.6
148.01686	1.1
149.02415	0.5
151.04012	0.5
153.01950	11.5
154.02232	0.7
161.02441	4.8
162.03094	0.3
169.06578	0.6
171.04582	1.5
174.99240	0.4
177.01926	2.3
180.00702	0.5
183.04626	0.3
183.08096	0.4
195.02972	0.5
197.06142	0.4
199.04070	0.6
200.04620	0.4
201.05530	0.5
211.04063	0.6
212.08470	0.5
213.05721	0.4
217.00331	1.5
225.05531	1.5
225.09259	0.5
227.03508	0.8
227.07095	0.6
227.10818	0.4
237.09029	0.7
239.07147	1.1
240.04175	0.9
241.04939	0.9
243.02820	0.5
251.03560	0.4
252.04269	0.4
255.02928	0.6
256.03888	0.7
268.03772	1.3
269.04596	9.7
269.07797	0.7
270.04953	1.1
271.02487	1.2
271.06015	0.6
281.08215	5.4
282.08493	0.6
283.06122	3.7
284.03217	4.5
284.06808	5.4
285.03403	0.5
285.07144	0.8
297.07428	0.4
299.01984	2.4
299.05713	7.4
299.09232	100.0
300.06186	0.6
300.09576	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	299.0775
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
55.35717	0.3
59.01400	0.8
65.03963	0.4
69.47475	2.6
71.01389	2.4
73.02946	0.6
79.13796	0.3
81.68623	0.4
83.01396	0.5
85.02986	0.9
85.70367	0.3
90.51711	0.3
93.03469	65.2
94.03786	1.9
97.96530	0.3
98.19852	0.6
101.02441	1.1
102.23286	0.3
113.02485	0.7
137.02458	100.0
138.02812	4.0
138.05605	2.0
151.04028	1.6
161.04535	0.4
220.98582	0.3
221.27029	0.3
299.07898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
59.01385	3.4
63.02404	11.8
64.02711	0.3
65.00329	7.2
65.03978	0.3
69.40330	0.8
69.40753	1.8
83.00932	0.4
83.01392	7.5
88.04084	0.4
93.03445	2.0
94.66219	0.3
95.01401	0.5
105.82857	0.3
107.01398	12.8
108.02203	0.4
109.02956	2.3
119.04999	0.5
121.02963	0.9
122.03723	1.0
123.00845	0.4
125.02431	0.4
131.05077	0.4
132.02197	0.5
133.02959	2.0
135.00870	1.0
135.04527	0.9
137.02460	4.3
138.05582	0.6
143.05011	0.4
145.96411	0.3
148.01636	0.4
149.02423	0.3
149.99652	0.4
150.03178	1.6
151.00378	13.4
151.30363	0.3
152.00658	0.3
157.02962	0.4
161.02379	0.6
161.06192	0.3
161.41228	0.3
163.00359	0.4
165.01949	12.9
169.01416	0.7
171.04503	0.6
174.99208	1.1
177.01913	3.5
178.02713	1.5
183.04503	0.3
195.04526	0.3
197.05954	0.4
199.03951	1.3
200.04738	0.3
201.01941	0.5
211.04088	0.5
212.08430	0.5
213.05646	0.3
214.02742	0.4
215.03433	0.5
217.00287	3.7
227.03552	1.8
227.10741	1.0
228.04211	0.7
239.03403	0.6
240.04185	0.8
241.04901	0.3
243.02951	0.9
255.03023	1.8
255.06517	0.4
255.10258	0.7
256.03757	1.2
269.04276	0.7
270.05304	0.4
271.02472	7.4
271.05997	1.7
272.02826	0.5
283.02420	1.0
284.03290	6.0
284.06281	1.2
285.03568	0.5
299.02121	9.9
299.05591	100.0
300.02393	1.2
300.05954	7.9
300.09442	0.5
313.65381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0564
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
54.86830	0.3
57.06137	0.4
58.12406	0.4
59.01389	4.9
59.41840	0.4
63.02403	1.4
65.00330	6.2
68.99783	0.4
70.66199	0.9
76.60674	0.4
78.95921	0.5
83.01400	4.9
83.05043	0.5
84.67338	0.4
86.53813	0.4
91.01906	0.5
93.03481	1.3
95.01411	0.9
107.01398	2.3
108.02184	0.9
109.02999	0.9
121.02986	0.7
123.00900	1.3
125.02494	0.8
132.02170	1.8
133.02980	1.3
135.00937	0.8
136.01703	0.4
140.96835	0.5
145.03012	0.4
146.76668	0.4
147.04576	2.8
148.01663	2.3
149.99603	11.5
151.00420	3.5
161.02486	0.9
163.00404	0.7
168.00786	0.4
170.03786	0.5
171.04573	0.8
172.01665	0.8
172.05304	1.8
174.03209	4.3
174.99294	1.4
175.03976	0.6
176.01161	0.5
177.02007	0.5
179.31662	0.4
183.04517	1.4
184.05243	0.5
187.04027	1.2
188.04825	0.7
189.05583	5.0
190.05943	0.5
195.04495	0.4
196.05305	1.1
197.02353	0.4
197.06067	0.6
198.03264	3.9
199.04092	2.8
199.62930	0.4
200.01164	1.0
200.04756	1.4
201.01952	1.3
207.10555	0.4
211.04007	4.0
212.04837	2.9
213.01788	0.6
213.05566	1.8
214.02731	7.3
215.03445	3.0
216.04282	11.2
216.06288	0.8
217.00310	5.4
217.04712	0.8
223.03993	0.4
227.03522	5.5
227.10825	0.5
228.04243	2.5
231.06654	15.7
232.06924	1.2
238.02734	0.5
239.03516	2.6
240.04288	7.5
241.04977	1.3
242.02214	0.8
254.05890	0.9
255.03026	4.2
255.06625	1.3
256.03809	5.1
257.04437	0.9
267.02921	0.9
269.04568	3.1
269.08078	1.1
271.02502	4.4
271.05225	0.7
281.08243	1.4
281.17706	1.3
283.02557	2.1
283.05746	0.5
284.03323	43.9
284.06882	11.4
284.10092	1.2
285.03674	3.3
285.06952	0.7
299.02179	7.2
299.05655	100.0
299.09186	11.7
299.18790	1.5
300.02676	0.8
300.05957	7.5
300.09323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02409	1.6
65.00338	1.2
69.23560	2.2
69.23968	0.7
83.01385	1.7
88.04043	0.8
98.19884	0.6
107.01398	3.2
115.00391	0.3
119.29404	0.2
123.00911	0.3
133.02986	1.1
134.03735	1.6
135.00880	0.6
142.94267	0.3
146.03761	0.3
148.01651	1.8
149.99582	0.7
151.00386	4.8
158.03754	0.3
169.01404	0.3
171.04472	0.4
183.04503	0.7
187.04016	0.7
188.04816	0.4
199.04031	1.1
200.04807	1.1
211.04012	1.4
212.04727	0.8
216.04337	0.4
227.03540	4.0
228.04092	1.3
229.01242	0.3
239.03496	1.3
240.04143	0.4
255.03032	3.1
255.05615	0.4
256.03772	8.4
257.04153	0.6
267.03070	0.5
271.02502	0.5
283.02530	2.2
283.05316	0.5
284.03271	100.0
285.03613	8.3
285.06702	0.6
299.05615	77.1
300.02441	0.4
300.05957	7.1
300.14508	0.6
313.32501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	0.5
65.00343	0.5
69.31717	1.1
69.32132	1.6
72.85172	0.4
83.01390	0.5
91.01906	0.5
94.07360	0.3
107.01389	0.7
108.02155	0.5
135.00919	2.5
148.01666	6.6
150.03188	1.2
151.00389	1.7
153.01884	0.4
158.03722	1.3
170.03688	0.5
171.04437	0.4
172.05334	0.6
176.01208	1.5
183.04491	1.4
184.05252	0.7
186.03258	0.4
187.04199	0.4
188.04851	0.5
195.04521	0.9
199.04039	2.2
200.04851	2.5
211.04021	4.5
212.04800	2.5
214.02666	0.6
216.04198	0.4
223.03955	1.2
227.03508	11.2
228.04175	2.0
239.03503	3.5
240.04277	1.7
242.02240	0.6
255.03001	9.8
256.03741	4.2
267.03036	2.3
271.02499	1.1
283.02499	7.5
284.03265	100.0
285.03604	7.5
299.05615	88.0
300.02899	0.4
300.05951	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	299.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31810	0.3
52.48160	0.4
69.50330	2.6
71.56805	0.4
88.04028	0.6
98.00095	0.9
108.02186	0.6
131.01387	1.5
133.02980	0.5
136.01646	0.5
136.85286	0.4
138.05643	0.4
145.03119	0.4
147.00801	0.5
148.01672	7.2
149.02554	0.4
151.00327	0.4
157.70331	0.3
159.04512	0.5
167.04964	0.7
171.04599	0.5
172.05400	1.6
173.02434	0.4
174.03259	0.5
175.00354	1.3
176.01158	3.4
182.03664	0.5
183.04524	6.7
184.05269	1.9
187.03964	1.1
195.04582	2.4
199.04024	4.4
200.04825	4.7
202.02673	0.4
210.03113	0.6
211.04025	12.2
212.04773	6.6
216.04285	0.5
223.04022	2.8
226.02586	0.4
227.03513	13.4
228.04263	12.1
229.04576	0.9
238.02704	0.4
239.03522	16.8
240.04289	27.1
241.02414	0.5
241.04483	1.8
243.03012	1.7
254.02394	0.4
255.03006	21.2
256.03741	13.0
257.04321	0.7
267.03055	2.2
268.03232	0.4
271.02466	0.6
272.03278	2.4
283.02524	10.9
284.03278	82.5
285.03644	6.8
291.84476	0.4
299.05618	100.0
300.05969	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	299.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35236	0.4
53.41473	0.3
63.02409	0.6
65.00346	0.5
69.34098	1.9
69.34503	0.9
74.85521	0.3
83.01389	0.4
87.32948	0.3
88.04060	0.8
90.86346	0.3
91.01894	0.8
95.01408	0.4
107.01418	1.0
108.02147	0.4
109.02927	0.4
124.74621	0.3
135.00893	2.1
137.02475	0.4
145.03014	0.5
148.01683	5.9
150.03262	0.9
151.00406	1.7
158.03749	1.2
170.03749	0.4
171.04590	0.7
176.01163	1.1
183.04642	1.7
183.10287	1.0
184.05205	0.5
188.04857	0.4
189.02039	0.3
195.04604	0.9
196.05219	0.5
198.03265	0.6
199.04031	2.7
200.04785	2.8
211.04031	4.3
212.04807	2.8
213.01976	0.5
214.02740	1.1
215.03424	0.7
216.04210	0.4
223.04037	1.3
225.11302	0.7
227.03494	10.7
227.05742	0.7
228.04164	2.5
238.02594	0.4
239.03459	3.2
240.04253	1.6
242.02339	0.9
242.08209	1.4
243.02762	0.4
251.10776	0.3
255.03015	9.0
256.03705	4.6
257.04016	0.4
267.03030	1.4
269.04514	0.5
269.09302	5.2
271.02484	2.2
281.09485	0.5
283.02490	7.2
284.03278	100.0
285.00513	0.4
285.03638	7.5
299.05618	98.8
299.10364	3.3
300.02875	0.7
300.05951	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	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27484	0.5
71.22659	0.5
74.18895	0.4
77.16129	0.5
83.01409	0.5
83.76521	0.4
88.27605	0.4
94.45049	0.5
107.01404	0.7
135.00874	0.9
148.01686	5.8
150.52954	0.4
151.00415	1.3
158.03812	0.8
170.03825	0.7
176.01144	1.5
181.64023	0.4
183.04504	1.1
184.05292	0.6
195.04610	0.7
199.03998	1.7
200.04816	1.9
211.04066	3.3
211.05820	0.5
212.04723	1.8
214.02719	0.8
223.04085	0.8
227.03535	9.6
228.04268	1.9
239.03606	2.8
240.04140	1.5
242.02194	0.8
255.03014	7.3
256.03754	8.0
267.03049	1.5
283.02527	6.8
284.03275	100.0
285.03616	7.8
299.05621	93.9
300.05994	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	299.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02366	0.3
63.14397	0.3
69.43783	2.4
91.01858	0.5
98.19992	0.6
104.11723	0.3
107.01339	0.7
128.73204	0.3
135.00833	1.4
148.01686	4.3
150.03229	0.3
151.00337	0.6
158.03741	1.1
174.30447	0.4
176.01131	1.3
183.04460	1.0
184.05150	0.3
187.04056	0.5
195.04465	0.9
199.03960	1.3
200.04825	1.8
211.04025	2.8
212.04747	2.2
214.02608	0.5
223.03944	0.8
227.03506	8.8
228.04243	1.5
239.03593	2.8
240.04193	1.0
242.02133	0.5
255.02982	5.7
256.03726	4.1
262.01245	0.3
267.02945	1.5
271.02530	0.5
283.02530	6.2
284.03268	100.0
285.03632	7.7
299.05618	68.0
300.05930	3.7
320.29572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63658	0.5
57.49250	0.5
59.01379	1.3
63.02415	0.7
65.00314	1.8
69.23208	4.6
74.32053	0.5
79.04643	0.5
90.30650	0.5
95.01398	2.3
97.06609	0.8
98.19923	0.8
104.96800	0.5
105.12034	0.5
107.01405	1.5
108.02209	0.9
111.88590	0.6
117.03484	0.5
121.03002	0.6
123.00893	2.9
133.02953	2.1
135.00903	1.3
138.05693	0.6
138.80252	0.5
143.05037	1.1
143.07195	0.8
147.04530	0.7
148.01680	2.4
149.99617	10.2
151.00319	2.0
153.07115	0.6
155.05051	0.7
158.03748	0.6
161.02438	2.3
163.00374	0.7
169.06548	1.1
171.04474	3.6
171.05757	0.5
172.05260	0.6
173.02426	0.7
173.06041	2.5
175.00366	0.9
175.04018	0.5
176.01096	0.5
182.03757	0.6
183.04486	2.4
183.10287	1.7
184.05280	1.4
185.02452	0.9
186.03360	0.8
187.04010	1.2
188.04781	0.6
195.04556	1.5
196.05171	1.2
197.06096	5.3
197.11728	0.6
198.03276	1.5
199.04015	5.2
199.07355	0.5
200.04738	1.2
201.05611	0.6
201.11490	0.6
207.10287	1.1
210.03252	2.1
211.04034	6.8
212.04755	3.1
213.01961	1.2
213.05557	2.0
215.03522	1.6
223.03964	2.6
225.05626	3.1
225.11395	0.5
226.02744	1.7
227.03500	6.3
227.07089	0.5
228.04381	3.0
238.02684	2.3
239.03479	4.8
240.04306	13.6
241.01422	0.7
241.05078	8.8
243.02895	1.5
251.03622	0.6
255.03015	3.8
256.03687	6.3
257.04120	0.7
266.02151	2.9
267.03107	1.6
269.04572	69.1
270.04837	6.1
271.02542	8.6
281.04556	5.4
283.02460	2.5
284.03281	54.0
284.06903	34.2
285.03616	4.0
285.07260	3.1
298.03769	0.7
299.02112	11.3
299.05606	100.0
299.09229	20.6
299.18637	9.1
300.02560	0.6
300.05969	7.6
300.09467	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21644	0.3
59.92207	0.3
65.00338	0.5
65.03997	0.4
71.54516	0.5
72.85217	0.4
74.57281	0.3
83.01423	0.6
83.05054	0.8
91.01929	0.5
107.01425	1.0
109.02943	0.4
116.18726	0.4
117.04796	0.4
124.07745	0.3
130.08766	1.4
131.49217	0.4
133.02965	0.5
134.06184	0.3
135.00899	2.4
147.00923	0.4
148.01671	6.1
149.99617	0.4
150.03191	0.9
151.00406	1.6
153.01901	0.6
158.03766	1.3
163.00374	0.4
168.06694	0.9
170.03812	0.4
171.04547	0.6
172.05063	0.5
176.01172	1.2
183.04539	1.5
184.05103	0.8
187.04019	0.5
195.04509	1.1
196.05273	0.5
198.03299	0.4
199.04047	2.8
200.04829	2.8
203.03444	0.4
210.03246	0.4
211.04021	4.4
212.04774	2.2
214.02747	0.7
215.03468	0.5
223.04010	1.0
226.02666	0.4
227.03511	10.1
228.04123	2.4
239.03523	3.8
240.04344	2.4
242.02322	0.5
243.02933	0.7
255.03004	8.7
256.03635	5.2
267.02936	1.8
271.02481	2.1
272.03183	0.5
281.04575	0.4
283.02521	6.1
284.03268	100.0
285.03589	7.4
299.05609	87.8
300.02643	0.9
300.05936	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	298.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
59.01380	4.7
64.13232	0.4
70.02970	0.5
71.01386	9.0
73.02965	0.6
74.61588	0.4
75.00878	0.5
85.02968	0.6
88.04047	72.6
89.02466	2.6
89.04399	0.8
93.03468	0.8
96.99300	0.6
101.02441	1.3
108.04610	0.5
113.02396	0.5
114.01976	4.1
114.05607	0.7
115.00380	14.3
119.03503	0.6
121.02957	1.3
121.10262	1.5
124.07690	0.8
132.03038	100.0
133.03371	1.7
137.02429	0.5
163.11296	0.6
167.03549	0.6
177.04092	0.9
196.09703	0.6
227.14047	1.0
254.14021	1.4
255.02357	0.4
271.02646	0.6
280.11938	1.0
284.03519	0.6
298.12988	27.6
299.01901	0.9
299.05316	0.5
299.11279	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	298.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75732	0.7
59.01387	10.1
59.32773	0.7
60.01728	0.9
65.00314	0.9
70.02972	1.1
70.51167	0.8
71.01392	15.0
71.54780	1.1
79.91901	0.7
82.08164	0.7
88.04048	100.0
89.02456	0.9
89.04376	2.3
91.01917	1.8
96.58164	0.7
96.99316	4.6
105.43420	0.7
109.02985	1.0
114.01981	3.6
115.00387	21.7
119.03548	0.8
121.02950	1.1
132.03027	8.8
133.02943	1.5
135.00896	2.4
137.02443	1.5
143.05029	0.8
148.01674	0.9
149.02458	4.2
152.77617	0.8
153.01888	1.1
155.05042	0.8
161.02440	1.1
171.04570	1.6
173.06062	1.3
174.99295	1.4
182.15511	11.9
183.04321	1.2
183.13921	19.3
184.04956	1.2
184.14275	0.8
185.06088	0.8
195.04491	1.8
196.04916	2.3
199.04039	1.8
211.03987	4.2
212.04442	3.5
212.08434	1.1
213.05547	1.5
215.03331	1.0
217.00272	6.2
224.04372	1.2
226.02745	1.6
227.03435	4.7
228.04161	1.3
236.16486	1.9
239.03575	4.5
240.03883	10.9
241.04904	1.4
252.04149	1.0
254.17635	23.4
255.02959	4.9
255.06058	1.3
255.17976	2.0
256.03775	2.1
267.02853	2.0
268.03333	13.0
269.04572	6.6
270.05002	1.1
271.02539	6.0
271.05322	1.1
280.15555	3.4
282.05273	2.3
283.02420	6.4
283.05688	32.6
284.03333	15.2
284.06552	3.4
298.04715	18.0
298.08035	11.2
298.16602	59.5
299.01965	6.9
299.05563	16.9
299.09189	9.4
299.16843	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	298.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28854	0.4
58.02991	3.4
59.01387	3.6
66.99825	0.5
70.02990	0.5
71.01386	19.9
71.01785	1.0
71.55280	0.4
77.03969	0.8
79.01897	1.0
83.05070	0.6
88.04049	100.0
89.02435	1.1
89.04377	1.2
96.99310	0.8
101.02431	0.7
108.04494	0.5
108.23511	0.4
109.02984	0.7
113.02429	0.9
114.01995	2.1
115.00381	21.4
121.02986	1.1
121.10252	3.1
122.06065	0.4
124.03262	0.4
132.03043	29.3
132.04559	0.7
133.02954	3.0
133.04933	0.8
134.03723	0.9
134.72408	0.4
135.00893	1.0
135.04562	1.1
137.06091	0.5
138.09253	1.4
139.11285	0.5
161.02499	0.4
163.00342	1.0
164.10811	5.8
164.12042	0.7
165.01979	1.5
165.09195	0.9
182.11919	1.7
183.10289	15.4
184.10591	1.1
199.04053	0.8
213.05620	0.5
236.12935	1.5
241.05011	0.7
254.13995	6.2
266.24124	0.5
269.04559	0.7
270.05203	0.9
280.11890	1.7
283.02594	0.5
283.05624	0.5
284.03473	0.5
297.04214	2.3
298.04785	14.8
298.12976	56.2
299.02304	0.7
299.05597	17.4
299.12936	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	298.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53186	0.2
52.96750	0.2
53.58800	0.2
69.90408	0.2
89.81445	0.2
91.01921	0.3
93.03467	0.5
95.01392	0.8
98.19872	0.6
105.03471	0.6
108.02164	0.6
109.02978	1.5
117.03481	0.3
121.02950	0.8
123.00902	1.2
123.02579	0.2
124.01674	0.3
132.02182	2.2
133.02959	1.1
135.00905	0.4
136.01649	0.8
137.02460	6.3
141.07108	0.8
143.05014	0.7
145.02873	0.3
145.06534	0.3
147.04573	0.2
148.01686	0.3
149.02373	0.3
150.03217	0.5
154.04300	0.2
155.05051	0.8
157.06633	0.2
159.04491	0.6
160.01680	2.1
161.02452	5.7
166.95465	0.2
167.05054	1.1
168.05423	0.2
169.02867	0.2
169.06615	1.6
170.03716	0.3
171.04555	1.8
172.05215	0.3
173.06119	0.2
174.03226	0.3
175.03964	0.3
178.02777	0.3
180.05797	0.3
181.06494	0.3
182.03726	0.6
183.04482	1.2
183.17493	0.2
184.05144	0.4
185.02411	0.6
185.06107	2.9
186.06757	0.4
187.03964	0.9
188.04825	0.2
195.04543	1.4
196.05081	0.8
197.02420	0.3
197.06079	2.5
198.03221	2.5
198.06801	0.2
199.04033	2.3
200.04753	1.4
201.05588	1.7
209.06111	0.6
210.03218	0.4
211.04010	3.6
212.04572	1.5
213.05583	14.1
214.06299	3.6
215.03561	0.3
217.05103	0.7
223.04010	2.0
224.04691	2.0
225.01959	0.5
225.05550	2.6
226.02779	1.5
226.06320	0.6
227.03510	4.7
228.03958	0.3
229.05057	0.5
230.30408	0.2
239.03461	1.6
240.03882	3.9
241.05096	6.5
242.05714	1.6
251.03558	1.5
252.04305	5.1
253.01579	0.4
253.05054	3.4
254.02243	1.3
254.05247	0.3
255.03018	5.2
256.03421	0.5
267.03055	1.1
268.03351	4.9
269.04572	9.2
270.05307	7.2
271.02615	0.6
271.05573	0.4
279.02893	0.5
280.03741	1.3
281.04620	2.4
282.05298	0.5
283.02527	2.9
283.05704	11.4
284.03329	0.4
284.06131	0.7
297.04077	3.9
298.04849	100.0
298.07745	4.7
299.02026	0.8
299.05176	8.7
299.08652	0.5
299.14243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2438
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
57.03465	0.5
58.98391	0.3
59.01114	0.4
59.01385	5.6
70.09859	1.5
70.36517	0.3
71.01386	2.3
75.37312	0.3
78.78613	0.3
85.02945	0.5
89.02444	2.0
97.06633	0.5
98.20554	0.5
101.02445	1.3
103.73864	0.3
113.02435	0.9
117.03491	0.5
119.03491	0.9
125.09712	0.6
127.11285	0.6
128.41966	0.3
135.06673	0.7
141.12822	0.8
155.10800	1.9
161.04584	0.4
171.10307	3.5
183.01248	2.9
183.04446	0.7
195.04533	1.1
211.03949	2.1
223.04008	0.7
237.09825	0.6
239.03505	4.7
240.03857	0.4
251.67891	0.3
253.25337	1.5
254.05827	0.8
261.22137	0.4
265.25946	0.3
267.03049	5.7
268.03540	0.5
269.04608	0.4
279.23279	5.4
280.23581	0.6
282.02151	0.6
282.05353	13.5
283.05704	1.3
297.04205	2.3
297.07697	5.5
297.11823	1.1
297.15256	6.3
297.24371	100.0
298.04459	0.5
298.07837	0.7
298.15704	0.6
298.24713	9.8
316.40375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1499
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
56.14541	0.4
59.01385	9.6
61.15152	0.4
68.99813	0.5
71.01394	3.5
71.55086	0.6
72.99316	0.5
73.02956	0.8
83.01403	0.7
85.02965	1.1
89.02446	4.1
90.40007	0.5
95.01347	0.5
99.00890	0.5
101.02460	2.8
113.02457	1.5
117.03486	0.5
119.03500	1.3
135.06624	1.0
143.03511	0.4
143.05078	0.5
158.07410	1.0
161.04521	1.4
162.71609	0.4
167.05293	0.5
167.13628	0.5
169.06593	4.6
170.07152	0.5
174.03221	6.6
175.03868	0.7
179.05577	0.9
183.01208	3.7
183.04489	1.2
183.08118	4.1
184.08879	1.6
195.04559	2.9
197.02798	6.2
197.09744	1.4
198.03433	1.3
206.02229	11.7
207.02524	0.6
211.04007	3.9
213.05565	2.6
214.06119	0.7
223.04062	1.2
227.07120	0.9
228.07945	1.3
230.02620	0.9
236.54840	0.5
237.09877	1.0
237.12912	0.5
239.03522	10.6
239.05746	0.9
240.03882	0.8
253.08908	0.4
253.15968	1.2
254.02191	0.4
254.05849	1.4
267.03003	13.1
268.03427	0.9
269.04626	1.0
282.05362	30.0
283.05588	2.5
295.02603	0.6
297.04083	4.5
297.07718	11.3
297.15033	100.0
297.24356	1.7
298.04831	0.6
298.08127	1.3
298.15359	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	297.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	26.0
63.98450	0.7
64.01560	0.7
67.01888	0.7
70.59545	0.7
71.01394	11.6
71.05024	0.7
71.55237	1.0
72.99329	1.1
73.02959	2.3
79.95753	1.0
83.01373	1.4
85.02975	4.1
87.04532	0.8
89.02455	12.0
90.44744	0.7
95.01392	1.6
97.06600	0.9
101.02444	7.3
107.05072	1.1
108.02178	1.1
109.02959	0.8
113.02463	5.4
117.03514	2.1
119.03527	4.5
119.05030	1.6
120.79887	0.8
121.02968	1.3
132.02258	1.3
132.05797	1.2
135.00851	0.9
135.06676	4.2
143.05064	1.0
148.04915	0.8
149.04976	0.9
155.05078	1.3
161.02469	1.8
161.04562	2.6
162.40158	0.7
167.05042	1.3
169.06656	1.1
175.04016	1.0
177.37851	0.7
178.99815	0.8
179.05589	2.0
182.03708	1.3
183.04492	4.5
195.04530	7.8
196.05057	1.2
198.03226	1.7
201.12746	0.8
210.03209	1.2
211.04012	11.6
212.04422	1.1
217.16013	6.1
223.04071	3.5
224.04710	0.9
225.05559	2.3
226.02733	1.6
233.15578	4.2
235.16928	0.8
237.09836	1.9
238.02707	1.0
239.03505	34.1
239.10786	1.1
240.03857	3.8
241.04971	1.4
252.04297	3.3
253.05028	2.0
253.08572	1.3
253.18112	12.2
254.02179	0.7
254.05841	5.1
254.18556	1.1
266.05768	1.3
267.03024	38.2
267.06540	5.3
268.03503	3.7
269.04584	4.8
279.13925	1.9
279.19580	1.1
281.04617	2.2
281.08215	2.0
282.05347	100.0
283.02679	1.6
283.05673	7.7
297.03992	25.6
297.07706	47.9
297.11551	22.1
297.14993	4.3
297.20590	2.2
297.24344	3.4
297.27524	1.3
298.04504	3.2
298.08047	3.6
298.11414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03448	1.5
58.00589	2.3
59.01386	100.0
61.17780	1.1
69.59992	6.2
71.01389	50.5
72.99316	2.7
73.02963	6.9
75.00872	1.6
83.01405	4.3
85.02958	14.0
87.00890	2.9
89.02454	60.0
93.38190	1.0
95.01386	3.8
99.00876	2.8
101.02457	31.8
103.04046	1.5
113.02454	19.7
119.03516	26.3
131.03476	2.7
135.04512	4.1
135.06633	21.4
143.03505	5.7
149.04517	1.5
155.75891	1.0
161.04576	12.5
171.96284	1.3
179.05626	12.6
237.09848	5.2
249.25069	1.0
282.05542	1.4
297.08734	2.0
297.11917	23.9
299.58102	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1193
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01878	1.4
57.03453	1.9
58.00611	3.1
59.01385	100.0
60.01717	0.6
63.79943	0.5
69.33890	5.4
71.01389	44.4
72.99319	2.8
73.02958	5.6
74.53683	0.6
83.01394	3.5
85.02962	14.1
87.00893	2.3
89.02452	51.0
95.01399	3.1
99.00901	1.4
101.02452	27.9
103.04028	1.9
113.02457	18.3
114.02780	0.9
117.05590	1.3
119.03513	22.0
131.03506	2.9
131.27861	0.6
135.06651	17.2
143.03506	4.1
149.04576	2.3
159.03064	0.9
160.37294	0.7
161.04582	14.0
166.29346	0.6
179.05615	15.7
225.12399	0.6
237.09810	5.8
263.84079	0.8
297.11929	28.8
298.12534	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	297.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.7
68.08909	0.3
69.03484	1.2
69.80988	1.4
70.90024	0.4
71.01393	2.2
73.42891	0.3
79.01907	0.4
82.61736	0.3
85.02984	0.8
89.02461	3.1
93.91956	0.4
95.01448	0.7
97.02996	0.4
101.02480	0.9
107.01463	0.5
108.02222	0.4
109.02995	1.6
113.02486	1.2
117.03511	0.8
119.03575	1.0
121.03001	0.4
125.02466	0.6
132.02237	0.7
135.06679	0.9
141.03519	0.5
143.05072	0.9
145.02989	0.9
153.01938	3.0
155.05099	1.2
160.01727	1.1
161.04524	0.4
167.05061	2.1
169.06749	0.5
171.04518	0.4
173.06042	0.5
182.03746	0.6
183.04547	4.4
185.06104	0.4
191.03543	0.6
195.02763	0.8
195.04521	13.7
196.04950	0.7
197.06123	0.5
198.03291	0.6
199.03966	0.9
210.03307	0.8
210.06905	0.6
211.03998	14.0
212.04425	1.0
213.05547	0.8
223.04033	4.0
224.04720	0.7
225.05504	1.9
226.02756	0.5
227.03648	0.4
237.09715	0.6
238.02750	0.9
239.03505	57.3
240.03917	3.6
241.05067	1.2
251.03523	0.5
252.04280	0.9
253.05052	1.0
254.05862	29.4
255.03226	0.7
255.06161	1.9
266.02213	1.2
267.02988	14.9
268.03714	1.9
269.04578	2.4
281.04489	0.9
282.05350	100.0
283.02612	0.7
283.05676	8.1
296.03171	0.9
297.04062	11.8
297.07639	79.4
298.04550	1.5
298.07996	6.7
298.11563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
56.93929	0.5
57.03456	2.2
58.00605	3.6
59.01384	100.0
60.01719	1.7
61.01814	0.9
69.03460	0.8
71.01389	59.2
71.53075	0.5
72.01733	0.9
72.99307	3.0
73.02950	8.9
75.00880	2.5
81.03444	0.6
81.04722	0.5
83.01398	4.1
85.02961	16.9
86.03240	0.5
87.00879	3.8
87.04539	1.0
89.02454	74.0
90.02795	1.5
91.02888	0.5
95.01398	3.9
97.02982	0.9
99.00906	1.7
99.04451	0.4
101.02451	37.3
102.02813	0.8
103.04023	2.0
113.02461	24.3
114.02774	0.5
115.04021	1.0
117.05595	1.6
117.60342	0.5
119.03518	30.2
120.03866	0.8
125.02457	1.3
131.03506	3.2
133.05032	0.6
135.06654	24.1
136.06946	0.9
137.18988	0.4
143.03522	6.3
149.04530	2.3
154.06221	0.8
159.02985	1.1
161.04567	15.5
179.05621	17.7
180.06017	0.7
182.03101	0.4
197.33252	0.5
202.18703	0.4
237.06183	0.8
297.08325	4.2
297.11877	38.4
298.11905	1.2
298.14499	0.5
313.60297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
71.01388	0.6
84.96801	0.2
89.02448	0.7
93.03482	0.4
101.02428	0.5
117.03456	2.1
119.03532	0.3
121.02946	0.8
125.87721	0.2
132.02162	0.8
133.02997	0.3
135.06638	0.4
141.03513	0.4
143.05032	1.4
145.02985	0.4
147.00917	0.5
155.05029	1.3
157.06551	0.3
161.02411	0.3
167.05028	3.0
169.06570	2.1
171.04565	0.7
182.03719	0.9
183.04514	4.8
184.04919	0.4
185.06046	1.2
195.04523	7.1
196.05067	0.9
197.02357	0.6
197.06116	0.9
198.03276	0.7
199.04005	0.3
210.03291	1.2
211.04010	11.2
212.04532	1.0
213.05588	2.0
223.04036	5.8
224.04770	2.6
225.05595	2.4
226.02769	0.9
226.06055	0.3
227.03593	0.4
238.02695	0.6
239.03505	34.4
240.03870	3.2
241.05037	1.9
250.02550	0.3
252.04189	0.6
253.01465	0.4
253.05002	0.6
253.08572	0.2
254.02176	1.6
254.05913	0.4
255.02942	0.9
266.02179	0.5
267.02991	44.6
268.03387	3.9
269.04565	5.3
270.05075	0.4
282.05344	100.0
283.02390	0.8
283.05673	7.5
297.03973	29.6
297.07678	29.7
298.04480	3.1
298.08057	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	297.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50114	0.5
53.38960	0.5
77.16425	0.5
98.19842	1.0
117.03518	0.9
127.03935	0.5
132.02202	0.7
143.05006	0.5
155.05096	1.1
167.05052	1.1
183.04521	2.3
188.91585	0.6
195.04529	3.4
211.03999	8.4
223.03979	2.6
239.03514	24.0
240.03865	2.0
267.03000	38.1
268.03302	3.6
282.05353	100.0
283.05673	9.1
297.07703	30.4
298.07980	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	297.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00552	0.4
59.01191	0.8
59.01513	2.4
65.62785	0.4
66.79140	0.4
69.67275	1.1
69.67712	1.7
71.01180	0.4
71.01510	1.0
82.81063	0.4
89.02625	1.7
91.02060	2.3
101.02597	0.7
108.02341	2.7
108.74546	0.4
109.03082	0.9
113.02579	0.9
117.03582	0.5
119.01552	0.5
119.03669	0.6
119.05138	0.7
121.03090	0.5
135.00899	5.6
135.06783	0.5
145.03137	1.2
146.03882	0.9
153.02087	1.2
161.02615	1.0
161.04633	0.7
167.05104	0.8
173.02530	0.9
174.03195	0.6
174.94354	0.4
183.04581	1.0
195.04495	6.2
196.05165	0.6
197.06075	0.6
208.05396	0.6
209.04356	0.4
209.06183	0.6
211.04027	4.8
212.04681	0.7
213.05688	1.5
223.04016	3.2
223.13457	0.4
224.04776	0.7
225.05705	1.6
226.02876	0.5
237.05740	0.7
238.06305	0.5
239.03510	46.8
240.03841	3.5
241.05124	0.8
247.66423	0.3
250.02672	1.1
251.03511	8.1
252.04100	1.2
252.42279	0.4
253.05092	2.9
254.05804	2.0
255.06340	0.4
264.04358	0.5
265.04959	0.6
266.02243	4.0
267.03006	29.0
268.03375	2.8
269.04544	1.6
281.04550	9.0
282.05353	54.0
283.05685	3.8
297.04141	6.8
297.07672	100.0
298.04788	0.8
298.08032	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	297.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14248	0.2
60.68535	0.3
70.26244	0.9
96.40467	0.2
98.19932	0.3
117.03497	0.9
121.02963	0.5
132.02177	0.5
147.00827	0.3
147.12175	0.2
150.43536	0.2
155.05035	0.8
164.95319	0.2
167.05042	1.2
173.82744	0.2
182.03729	0.3
183.04526	3.3
186.05127	0.2
195.04509	4.3
196.04829	0.3
210.03253	0.4
211.04027	8.1
212.04398	0.5
223.04027	3.7
224.04320	0.3
238.02795	0.7
239.03513	28.2
240.03947	2.3
241.05185	0.5
250.02660	0.3
266.02148	0.4
267.03003	39.2
268.03329	3.5
269.04517	0.3
282.05356	100.0
283.05710	8.1
285.51486	0.2
297.04297	1.0
297.07681	29.7
298.08041	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	297.077
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29591	0.9
70.29983	1.1
132.02228	0.7
155.05022	0.9
158.22626	0.5
167.05019	1.1
182.03781	0.7
183.04553	2.7
195.04504	10.7
196.04916	0.5
210.03374	0.7
211.04010	10.6
212.04506	0.7
223.04056	2.6
225.05637	0.9
239.03503	44.1
240.03860	2.7
253.05115	1.1
254.05843	23.3
255.06213	1.7
266.02304	0.6
267.03033	8.2
281.04636	1.2
282.05350	98.6
283.05695	7.3
297.07690	100.0
298.08081	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
59.01385	2.4
61.61272	0.2
63.94385	0.3
65.00322	0.4
69.40775	2.0
71.01379	1.2
73.02943	0.3
85.02944	0.5
89.02451	1.4
91.01894	0.4
93.03475	1.0
95.01398	0.9
95.49926	0.2
101.02460	0.8
113.02458	0.5
117.03484	3.9
119.01430	0.6
119.03540	0.7
119.05041	1.0
121.03014	0.5
123.00880	0.5
132.02187	1.2
133.02975	1.4
141.03484	0.4
141.07124	0.4
143.05051	3.4
145.02968	1.8
147.00911	0.5
147.04539	0.3
148.01649	0.4
151.05542	0.4
154.04253	0.3
155.05011	0.7
156.05875	0.3
157.02905	0.3
157.06604	1.0
158.03764	0.4
161.02472	0.8
161.04570	0.4
167.05081	3.1
168.05721	0.4
169.02972	0.7
169.06604	8.6
170.03764	0.4
170.06985	0.5
171.04544	3.5
175.00363	0.3
176.01184	1.2
179.05412	0.4
180.05838	1.4
180.07217	0.3
181.06587	0.6
182.03738	1.6
183.04529	3.4
184.05290	0.9
185.02408	0.4
185.06078	3.0
187.03970	0.3
195.04515	5.5
196.05273	2.6
197.02499	0.7
197.06088	4.6
198.03249	5.1
198.06401	0.5
199.04018	2.1
208.05315	0.6
210.03270	1.6
211.04037	5.6
212.04749	1.8
213.02084	0.5
213.05592	6.0
214.05904	0.6
215.07178	0.4
223.04025	4.3
224.04791	8.9
225.02130	0.5
225.05563	8.9
226.02739	6.2
226.05984	0.8
227.03497	4.4
238.02785	0.8
239.03516	10.9
240.04140	1.7
241.05090	7.7
241.83603	0.3
242.05421	0.6
251.03598	0.9
252.04305	1.1
253.01404	1.5
253.05078	2.5
254.02252	10.7
254.05888	4.6
255.03011	6.7
255.05865	0.5
266.02301	0.3
267.03021	3.8
268.03775	2.6
269.04559	16.2
270.04968	1.5
280.03668	0.4
281.98972	0.4
282.01767	13.1
282.05377	13.9
283.02518	11.4
283.05682	1.1
295.02432	0.3
297.04105	100.0
297.07620	12.6
298.04645	16.5
298.07874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0407
Annotation	Glyzaglabrin
Peak:m/z	Relative Intensity
53.74094	0.2
59.01379	1.0
59.69095	0.2
63.02406	2.5
65.00326	2.2
69.29302	0.9
69.29736	0.7
71.01386	0.4
83.01400	0.6
89.00320	0.3
89.02456	0.4
89.03999	0.2
91.01904	2.4
93.03493	0.3
93.14230	0.2
95.05017	0.2
101.02405	0.3
101.03996	0.2
107.01392	2.3
107.05051	0.3
113.02454	0.2
117.03463	0.6
119.05020	0.7
123.04488	0.4
127.41112	0.2
128.35030	0.2
132.02180	0.8
133.02972	5.9
135.00887	1.8
135.04529	1.6
143.05034	0.4
147.00917	0.4
151.00427	0.6
153.01875	0.2
155.04997	0.9
157.02953	0.8
157.06609	0.4
158.03741	0.5
159.00887	0.2
159.04538	3.0
161.02457	2.2
163.04076	0.4
167.05040	0.8
168.05695	0.2
169.06624	1.6
171.04532	0.7
173.06059	0.4
176.01151	0.4
180.05795	1.3
181.06601	2.2
182.03711	0.6
183.04500	2.2
184.04987	0.2
185.02509	0.4
185.06119	0.3
187.04016	0.6
195.04550	1.5
196.05312	1.5
197.06114	2.1
198.03149	0.3
199.04021	1.6
200.04555	0.3
201.05597	2.1
207.04436	0.6
210.03325	0.3
211.04019	1.9
212.04642	0.4
213.05534	0.7
223.04010	0.8
224.04785	3.0
225.05547	3.7
226.02687	0.5
227.03587	1.3
229.05087	0.2
239.03520	3.0
240.04262	1.3
241.05051	2.7
242.02260	0.3
251.03619	0.3
253.05038	0.5
254.02205	0.2
254.05901	0.2
267.03009	3.6
268.03766	4.7
269.04565	37.1
270.04901	2.9
282.02319	0.3
282.05365	1.8
283.02435	0.4
288.32239	0.2
295.02429	1.2
296.03058	0.6
297.04056	100.0
298.04401	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	297.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01327	1.3
63.02401	3.4
63.02697	0.2
65.00328	2.4
67.82088	0.2
69.52183	0.7
69.52596	0.5
71.01343	0.4
83.01333	0.5
89.00293	0.4
89.02406	0.4
90.59973	0.2
91.01895	1.4
93.94123	0.2
95.01341	0.3
101.02411	0.4
105.03434	0.2
107.01406	2.4
113.02403	0.3
117.03458	0.5
119.04972	0.7
123.04517	0.3
130.04242	0.2
131.05034	0.4
132.02206	1.0
132.47208	0.2
133.02968	6.0
134.03304	0.2
135.00882	1.0
135.04524	1.8
141.03473	0.4
143.05049	0.3
151.00385	1.0
155.05084	0.9
155.50923	0.2
156.05777	0.2
157.02907	0.8
157.06569	0.5
158.03716	0.6
159.00879	0.3
159.04532	3.0
161.02417	1.6
163.03949	0.5
167.04982	0.7
169.06593	1.5
171.04460	0.7
173.06017	0.4
175.59200	0.2
176.01140	0.5
179.05063	0.2
180.05821	1.5
181.05260	0.2
181.06592	2.1
182.03671	0.8
183.04510	2.6
184.05342	0.2
187.03944	0.5
188.61250	0.2
195.04501	1.5
196.05240	1.1
197.06082	1.4
198.03143	0.3
199.04034	1.4
199.82242	0.2
201.05598	2.2
211.04016	2.4
212.04643	0.3
213.05637	1.0
222.93219	0.2
223.04037	1.1
224.04781	2.3
225.02098	0.2
225.05547	1.7
226.02730	0.7
227.03543	1.0
237.09738	0.2
239.03519	6.9
240.04224	1.3
241.05067	2.0
251.03372	0.3
253.04984	0.4
254.05817	0.3
267.03009	7.9
268.03754	4.3
269.04559	38.3
270.04938	3.0
281.04599	0.2
282.02216	0.3
282.05350	8.6
283.02582	0.5
283.05713	0.5
295.02451	1.5
296.02975	0.4
297.04080	100.0
297.07541	6.6
298.04437	8.7
298.07867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
59.01387	9.1
70.07882	1.3
71.01382	4.9
73.02959	1.0
79.01904	0.4
80.24974	0.4
85.02956	1.2
88.04048	1.1
89.02462	4.9
91.01908	0.5
93.03476	1.0
95.01408	0.5
101.02465	3.0
106.58434	0.3
113.02463	1.7
113.55119	0.3
117.03475	4.7
119.01436	0.4
119.03510	1.3
119.05067	1.0
121.02954	1.0
123.00903	0.6
126.59420	0.4
131.01414	0.5
132.02197	1.3
132.03047	0.5
133.02988	0.9
135.04497	0.5
135.06639	1.0
141.03505	0.5
143.03516	0.4
143.03955	0.4
143.05045	3.4
145.02945	1.4
147.00848	0.5
148.01680	0.5
149.02440	0.5
155.05072	0.8
157.06619	1.2
161.02464	0.6
161.04581	1.1
163.00389	0.7
167.05029	3.3
168.05708	0.6
169.06616	8.3
171.04547	2.3
176.01175	1.1
177.01833	0.4
178.99954	0.4
179.05573	0.6
180.05872	1.2
181.06650	0.7
182.03735	0.9
183.04503	3.6
184.05246	0.6
185.06070	3.9
195.04521	6.0
196.05235	2.8
197.06117	5.0
198.03273	0.7
198.06381	0.5
199.04063	1.1
207.10649	0.4
210.03273	0.7
211.04022	7.1
212.04761	1.9
213.05600	7.1
214.05962	0.6
223.04054	5.3
224.04788	8.2
225.05585	9.8
225.09100	0.6
226.02791	0.7
226.06041	0.9
227.03619	1.0
237.09906	0.8
238.02831	0.7
239.03517	19.2
240.03973	2.1
241.05124	9.0
242.05508	0.5
251.03487	0.9
252.04346	1.7
253.05096	2.8
254.02295	0.7
254.05821	2.4
255.02983	1.3
267.02991	21.0
268.03595	4.7
269.04556	14.3
270.05005	1.1
279.06689	0.4
282.05350	44.6
283.02615	1.7
283.05777	3.9
295.02570	0.5
296.03348	1.0
297.04138	100.0
297.07697	20.1
297.11627	2.2
297.24411	1.1
298.04578	10.0
298.08121	1.9
298.16647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.4
65.00342	0.4
71.01393	0.6
87.87713	0.2
89.02442	0.8
91.01913	0.5
93.03484	0.3
95.01427	0.2
98.20602	0.5
101.02445	0.4
108.02309	0.2
117.03474	0.8
119.01354	0.3
121.02966	0.5
123.04556	0.3
131.01338	0.4
132.02202	1.5
133.03008	1.1
135.00905	0.9
141.03464	0.4
143.05025	0.5
145.02956	0.7
147.00891	0.3
149.99582	0.4
155.05032	1.0
156.05843	0.6
158.03789	0.4
159.00867	0.4
161.02446	4.6
167.05034	3.4
168.05530	0.2
169.03055	0.3
169.06668	0.3
170.03920	0.3
171.04486	0.6
173.06210	0.3
176.51599	0.2
182.03780	1.6
183.03040	0.3
183.04533	4.0
184.05284	1.9
185.05931	0.3
187.04059	0.5
195.04532	8.5
196.05113	0.9
197.02429	0.5
197.06059	0.3
198.03180	0.3
199.04068	0.4
209.06105	0.2
210.03218	1.5
211.04033	8.9
212.04749	3.7
213.05531	0.6
215.03596	1.1
223.04028	4.1
224.04771	3.7
225.05495	0.6
238.02708	0.7
239.03513	40.7
240.04259	4.1
241.04919	1.0
251.03572	1.4
252.04079	1.3
253.05075	9.9
254.05792	1.5
265.05133	0.5
266.02231	0.9
267.02997	28.4
268.03738	4.1
269.04550	2.8
279.03021	1.0
281.04568	26.3
282.05350	18.1
293.00824	0.4
295.02490	3.4
296.03275	100.0
297.03882	15.6
297.07693	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.4
65.00335	0.5
70.80300	0.3
70.80640	0.3
86.30562	0.2
91.01880	0.2
93.03465	0.2
103.01923	0.2
105.03471	0.6
117.03466	0.7
118.62763	0.2
119.05092	0.3
121.02941	0.2
123.04560	0.2
123.17838	0.2
131.01346	0.3
132.02185	1.0
133.02972	1.3
135.00911	0.2
141.03439	0.3
142.04306	0.2
143.05009	0.4
144.75604	0.2
145.02962	0.4
147.00941	0.2
149.02422	0.2
149.99588	0.6
155.05023	1.1
156.05836	0.4
159.00909	0.5
161.02448	4.3
167.05037	3.2
168.05505	0.2
169.02954	0.3
169.06583	0.3
171.04526	0.8
175.00391	0.4
177.01965	0.3
182.03735	1.3
183.04526	3.9
184.05281	1.5
186.03200	0.2
187.04079	0.3
195.04524	6.8
196.05228	0.9
198.03204	0.2
199.04008	0.3
209.02516	0.2
210.03191	1.4
211.04021	7.2
212.04768	3.5
213.05493	0.7
215.03610	1.0
223.04021	3.3
224.04755	3.0
225.05431	0.3
237.01917	0.4
238.02711	0.4
239.03511	11.2
240.04247	4.3
241.01311	0.2
241.05011	0.5
243.02872	0.2
251.03470	0.9
252.04199	0.8
257.11893	0.2
265.01123	0.3
266.02097	0.5
267.02975	6.0
268.03787	3.5
269.04553	0.9
282.01596	0.2
282.05350	0.4
293.00922	0.2
294.01767	0.3
295.02527	2.9
296.03268	100.0
297.03760	11.3
297.07574	0.6
297.12057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.17853	0.8
59.01363	1.3
63.64362	0.8
69.58427	1.8
69.58828	3.4
89.14941	0.9
125.09746	2.0
127.11319	1.0
141.12856	1.1
155.10822	1.0
171.10284	35.2
172.10605	1.6
183.10323	7.6
195.13905	1.6
277.21747	50.1
278.22037	4.3
295.22803	100.0
296.23120	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	295.2279
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
57.03455	1.1
59.01390	7.1
69.16000	4.4
69.16422	3.6
71.01380	2.0
94.11284	0.8
97.06587	0.9
101.02471	1.6
111.08175	1.2
113.09736	4.1
120.35629	0.8
133.05080	0.9
133.12804	0.9
135.11856	1.1
139.07617	1.0
157.08707	77.2
158.09033	2.6
167.42981	0.8
170.51997	0.8
181.37686	0.8
195.13882	4.7
201.66397	0.8
225.09259	1.2
254.88072	0.8
255.67776	0.8
277.21738	67.5
278.22034	5.4
295.22797	100.0
296.23145	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	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.41224	1.0
57.03462	1.3
59.01380	2.6
71.00249	3.1
89.05031	1.0
90.11786	1.1
171.10284	37.3
172.10683	2.1
180.46002	1.1
195.13930	1.6
197.83792	1.2
277.21732	49.8
278.22021	3.5
283.13168	1.3
295.22791	100.0
296.23120	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
57.85383	1.4
59.01374	3.2
68.97418	1.2
69.58324	8.1
73.13097	1.2
78.13371	1.3
98.19871	1.6
117.01831	1.2
125.09712	2.8
127.88296	1.3
134.03720	2.0
146.03755	1.3
149.02521	1.7
149.06058	3.3
150.55428	1.3
161.02463	1.5
171.10286	63.7
172.10574	3.2
183.10349	3.1
214.78958	1.2
225.09224	61.0
226.09563	4.7
237.09196	13.4
265.12445	1.3
277.21744	68.7
278.22086	7.4
295.13657	3.2
295.17133	87.6
295.22751	100.0
296.17441	7.7
296.23239	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	295.2283
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.98125	0.3
53.21667	0.3
59.01376	1.3
69.03495	0.3
71.01416	0.7
71.01820	0.6
72.99312	0.6
80.73199	0.3
83.05039	0.9
84.26620	0.3
85.02978	0.3
95.05038	0.5
96.95966	0.4
97.06630	0.3
98.95602	1.9
109.06595	0.4
119.04998	0.3
120.10177	0.3
127.11322	1.3
133.05067	0.3
134.03758	0.3
141.11836	0.5
141.12880	9.6
142.13229	0.4
149.02463	0.5
149.06017	0.6
155.14461	4.2
161.02502	0.6
163.00409	0.3
169.15939	0.4
191.18106	0.4
213.18861	0.3
225.07004	0.6
225.09227	9.6
226.09613	0.8
237.09247	2.5
247.20581	0.4
249.22260	8.9
250.22533	0.6
255.53548	0.3
277.21793	1.1
293.21732	0.4
294.55844	0.3
295.17621	14.7
295.22803	100.0
296.17908	1.5
296.23154	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	295.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93504	0.1
57.01960	0.1
71.17184	0.2
81.03453	0.2
93.03482	0.3
95.01406	0.1
106.04267	0.3
108.02197	0.2
109.06582	0.1
118.48029	0.1
119.05040	0.3
120.02209	0.2
121.02985	0.6
122.03815	0.1
132.02197	0.4
134.03755	3.6
135.00912	0.1
137.02513	0.5
146.03746	1.1
149.02460	2.5
149.06100	3.3
150.06458	0.2
161.02469	2.0
161.09752	0.2
171.10298	0.3
174.06950	0.1
183.08110	0.2
189.09251	0.5
201.72475	0.1
211.11369	0.3
212.08409	0.4
225.09235	64.5
226.09566	4.5
227.10808	0.2
237.09230	14.6
238.09550	1.3
239.10780	1.2
240.11604	0.3
263.93689	0.1
265.12375	0.6
272.10571	0.7
277.21729	0.3
279.13861	0.3
280.14621	0.3
295.17056	100.0
296.17395	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	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01384	3.6
67.05618	0.5
70.05621	1.3
70.06020	1.0
71.01386	0.8
71.59238	0.5
77.78953	0.4
78.17871	0.4
98.19926	0.6
99.08140	0.8
108.94747	0.5
111.08179	0.5
113.09744	3.6
134.03714	0.6
145.27229	0.5
177.12860	0.8
179.14439	1.0
181.12326	0.8
183.13911	4.3
195.13911	26.3
196.14243	1.3
225.09236	4.8
237.09183	1.0
263.06906	0.5
277.21732	25.2
278.22046	2.0
295.17157	8.3
295.22794	100.0
296.23126	8.0
296.50739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03449	1.3
59.01376	2.4
62.78903	0.6
70.85239	1.4
113.09706	2.1
130.28438	0.6
179.14417	1.7
195.12088	1.0
195.13905	21.3
226.11699	0.7
277.18588	1.0
277.21738	19.4
278.22046	2.0
295.22800	100.0
296.23138	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	295.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03443	2.3
58.00582	3.0
59.01385	100.0
60.01688	1.0
70.19886	2.5
71.01389	53.8
71.22450	1.0
72.01745	1.2
72.99310	4.4
73.02952	3.1
74.98141	1.1
83.01400	3.4
83.05035	1.0
85.02960	13.1
87.00874	3.6
89.02452	52.0
90.02767	1.1
95.01402	3.4
99.00905	1.4
101.02448	35.1
113.02469	21.6
115.00387	2.4
115.04018	1.5
117.05585	1.0
119.02665	1.7
119.03520	26.7
131.03516	2.2
133.01440	4.1
133.05104	2.7
133.08748	1.0
143.03497	2.7
147.06599	1.0
149.04613	1.4
154.89935	1.0
158.26819	1.2
161.04568	4.8
161.07246	1.7
163.06134	8.0
163.11246	0.9
175.11174	1.2
176.89359	0.9
179.05638	3.8
205.12357	1.2
242.09691	1.1
286.71420	1.0
295.10367	86.7
296.10760	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	295.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
58.00570	1.2
59.01382	25.9
60.01727	1.2
69.71799	5.2
71.01390	28.9
72.99310	4.8
73.02940	1.6
83.01399	1.5
83.05025	2.7
83.75209	0.9
85.02958	3.8
87.00888	10.5
89.02450	15.9
92.06956	0.9
92.81965	0.9
94.06638	1.3
95.03773	1.1
96.00922	1.6
96.08208	1.6
96.96004	1.9
97.01701	6.1
98.06121	2.1
99.00873	1.9
100.61165	0.9
101.02432	9.0
109.02950	2.6
109.05350	4.5
110.06115	2.6
113.02438	5.5
115.00383	40.6
119.03531	5.6
119.04992	1.0
122.03798	1.0
122.06100	3.1
123.06927	4.9
124.07694	31.0
125.08041	1.1
127.04028	13.3
133.01442	100.0
134.01796	1.8
134.03625	1.8
135.04538	12.2
138.05569	4.2
139.05949	1.7
140.06223	1.3
145.02982	1.4
149.05977	1.2
161.04631	1.8
161.06004	1.7
161.07233	1.8
163.03874	1.5
163.10071	1.5
170.08244	25.3
175.11232	2.5
177.05545	1.4
178.12383	38.8
179.03506	9.7
179.12698	2.5
205.05060	2.0
205.12286	2.3
223.18083	4.5
228.52887	1.0
233.16573	1.6
250.10846	9.3
277.15598	5.2
288.80460	1.1
295.05200	1.3
295.10284	13.5
295.16559	7.3
296.08054	1.1
296.11032	1.4
296.16666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23960	0.7
55.01877	1.1
57.03461	1.1
58.00603	3.5
59.01387	83.1
60.01738	0.9
69.79774	2.2
69.80183	1.3
70.61774	0.6
71.01391	42.6
71.05022	1.0
72.99320	3.0
73.02962	1.5
83.01408	1.9
85.02962	9.8
87.00880	2.6
87.04496	0.7
89.02454	54.8
90.01784	0.6
90.02779	1.1
95.01395	3.0
101.01803	1.5
101.02456	28.1
103.00367	0.8
113.02464	15.5
115.00380	3.9
115.04047	3.3
119.03516	22.8
131.03506	1.6
133.01448	8.9
133.05081	4.3
135.04585	1.0
143.03539	1.6
149.04562	2.1
160.44818	0.8
161.04604	2.0
163.06078	0.7
179.05611	3.3
192.04128	0.8
295.10367	100.0
296.10709	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	295.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00063	0.7
55.01871	1.1
57.03435	1.4
58.00602	3.1
59.01384	83.3
60.01696	1.0
69.60095	4.6
71.01388	41.5
71.66938	0.6
72.01709	0.8
72.99316	2.3
73.02942	1.2
83.01385	2.5
85.02960	9.2
87.00888	2.4
89.02452	52.2
90.02763	0.9
95.01393	2.9
99.65323	0.6
101.02451	28.1
104.49707	0.6
113.02465	17.7
114.02763	0.8
115.04014	2.8
119.03514	23.7
120.51662	0.6
125.02470	0.8
131.03531	2.0
133.05067	2.0
143.03500	2.2
161.04541	2.0
163.06123	2.6
179.05553	2.2
295.10352	100.0
296.10641	4.1
298.22342	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	295.025
Annotation	Medicagol
Peak:m/z	Relative Intensity
50.68232	0.4
59.01363	0.7
64.44831	0.4
65.07542	0.4
67.90403	0.4
70.59623	1.3
86.94924	0.5
91.01890	1.5
93.03473	0.5
135.00902	4.8
153.01859	0.6
165.17554	0.5
167.04997	1.9
182.03716	1.2
183.04471	1.7
194.03676	0.7
195.04465	2.4
197.02368	0.7
210.03220	1.2
211.04013	8.5
222.03285	1.1
223.03979	1.5
237.01906	10.8
238.02606	2.2
239.03491	8.8
249.02121	0.9
251.03500	1.6
253.01541	0.7
265.01425	6.8
266.02203	79.3
267.02966	100.0
268.03329	6.4
282.25757	0.4
293.00684	2.1
295.02484	97.4
295.99493	0.4
296.02856	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0463
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
59.01395	5.8
64.99272	0.5
69.48642	2.7
71.01389	14.7
72.99323	3.3
73.28836	0.5
75.00897	0.5
79.95714	0.8
85.02958	0.8
85.46579	0.5
87.00887	1.8
89.02426	2.4
91.05579	0.5
96.96037	0.7
101.02471	0.8
101.84507	0.4
107.05050	0.5
109.02979	1.8
115.00394	39.9
119.05038	2.0
125.06172	1.0
133.01457	100.0
134.01807	2.4
134.03732	1.6
135.04558	11.2
136.04890	0.7
145.03012	0.7
147.04567	0.9
161.06160	0.5
166.23010	0.5
167.01805	0.6
175.04041	1.5
178.12398	1.0
179.03506	10.5
191.03473	0.5
191.10732	0.5
193.05087	0.8
203.03566	1.6
203.10812	1.8
218.05945	1.1
251.09354	0.7
251.12904	0.8
295.08087	1.1
295.11905	0.8
296.11789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.2
66.08282	0.9
69.50945	5.3
71.01374	1.0
78.27977	0.9
80.02689	0.9
86.86857	0.9
91.01923	1.6
92.14256	1.0
95.01405	1.0
98.20587	2.0
108.02185	12.6
117.03463	2.8
130.04262	7.7
130.13116	1.1
132.02177	3.6
135.00902	5.1
141.90376	0.9
143.04961	1.9
145.02969	12.3
147.04535	100.0
148.01685	11.7
148.04840	3.6
158.03731	2.3
159.04466	2.5
163.00412	1.4
173.06058	5.9
177.01909	1.7
191.03537	8.9
221.09720	20.3
222.09985	1.1
225.09122	1.5
233.06221	1.1
235.07640	31.1
236.08380	11.5
237.08897	1.1
246.32523	1.0
249.05585	0.9
250.06303	8.8
251.07004	1.9
251.10802	19.3
252.11133	2.7
265.08704	50.0
266.09348	9.5
268.07425	1.7
295.09888	5.6
295.13016	1.0
295.19397	0.9
295.23196	1.1
296.03207	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	293.2492
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01395	0.7
70.77538	1.1
70.77872	1.4
71.01388	1.7
84.99325	0.6
96.96028	19.1
97.17017	0.5
109.02956	0.6
139.36031	0.6
156.97833	1.2
158.20926	0.6
177.09171	1.3
192.11589	1.7
193.15967	1.7
205.12354	1.2
207.13847	0.8
220.14674	8.2
221.15475	16.7
222.15709	0.8
230.09142	0.6
236.10564	13.3
293.18051	14.5
293.24890	100.0
294.18161	1.2
294.25180	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41965	0.6
59.01387	5.5
61.98829	0.7
70.55105	0.7
70.55466	1.9
71.01403	3.7
71.05025	0.8
73.02959	0.9
79.48827	0.6
79.95748	2.4
80.96536	0.6
89.02438	1.7
96.96017	1.0
98.19995	0.8
101.02425	0.7
111.08145	0.8
113.09735	1.3
117.03448	1.0
121.02899	0.7
121.10251	1.0
133.02956	0.9
136.08952	5.9
139.64354	0.6
152.91757	2.1
161.04512	0.8
171.10336	1.5
177.09193	1.2
177.12759	0.7
179.10675	0.7
179.14401	1.2
181.12315	0.9
192.11537	4.2
193.15988	11.1
194.16266	0.7
194.92801	1.2
195.13919	14.9
196.14384	0.9
197.14742	0.6
205.12312	1.5
205.15970	1.1
211.13348	0.8
218.09552	0.7
220.14668	9.5
221.15479	17.5
222.15817	0.9
223.13440	9.9
224.13820	0.8
228.13588	1.8
232.87332	1.3
233.15425	0.8
235.13362	0.9
235.17009	2.7
236.10545	12.8
237.11107	0.7
249.18657	2.9
249.22333	0.7
256.13193	3.8
265.21878	0.6
275.20203	11.8
276.20517	0.9
293.04611	2.6
293.08655	2.0
293.17828	8.8
293.21219	100.0
294.18335	1.0
294.21548	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68219	0.7
55.01862	0.6
57.03447	1.4
59.01385	6.7
60.53505	0.6
70.02471	3.0
71.01032	0.9
71.01380	4.9
71.05024	1.1
89.02434	2.0
96.96021	1.5
99.12878	0.6
101.02441	0.6
121.06572	2.4
123.08132	2.3
135.04543	0.6
136.08920	2.1
139.11320	0.9
142.47295	0.6
151.11279	2.2
152.91664	0.9
153.12817	1.4
169.12303	2.6
173.29681	0.6
177.09305	1.3
187.07562	0.8
192.11497	1.3
193.15915	2.8
195.17558	2.0
197.11850	38.7
198.12180	2.1
205.12251	1.1
220.14696	7.9
221.15471	13.3
222.18657	7.8
223.07587	3.2
224.08437	4.9
225.09038	1.2
231.21156	0.9
233.15514	0.8
235.07668	3.3
236.08276	1.1
236.10524	10.9
249.18593	1.9
249.22272	1.0
250.19337	0.9
250.21768	9.0
250.88695	0.8
251.16528	1.5
275.20163	20.1
276.20453	1.6
293.04391	1.6
293.08441	2.2
293.15265	29.9
293.21176	100.0
294.15805	3.8
294.21228	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05341	0.3
57.03449	1.2
59.01384	3.7
60.53002	0.3
61.74594	0.4
61.98820	0.4
66.42128	0.3
71.01392	2.7
71.05026	0.7
71.54583	0.4
73.02972	0.4
78.87906	0.3
79.95724	0.4
80.81556	0.4
85.02947	0.5
87.00856	0.3
88.90291	0.3
89.02465	1.4
96.96027	0.9
97.06599	1.5
101.02423	0.5
113.09742	3.1
117.03512	0.5
121.06647	0.5
121.10223	1.3
123.08192	0.6
125.09724	3.4
127.07699	0.6
131.03537	0.5
139.11288	0.5
141.12859	0.9
149.09709	1.3
152.91740	0.9
156.13945	6.4
157.14310	5.1
161.04572	0.5
165.67464	0.3
171.10300	1.4
177.09258	0.7
177.12894	0.5
179.10741	0.6
185.11838	6.7
186.12251	0.4
192.11545	1.3
194.92836	0.8
197.11836	2.1
205.12474	1.8
205.14037	0.4
207.75368	0.4
209.15538	0.6
218.09486	0.6
220.14694	8.4
221.15477	16.6
222.15887	1.8
232.87547	0.5
233.05891	0.5
235.17078	1.4
236.10550	11.9
237.11012	0.8
249.22363	0.5
251.13054	0.5
275.20233	3.2
276.20441	0.6
293.04553	1.4
293.08951	1.8
293.21237	100.0
294.21573	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	293.2126
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.42612	0.9
59.01379	2.9
70.84641	1.2
70.84950	1.6
98.20624	1.1
109.62600	1.0
121.09373	2.3
121.10249	48.1
122.10574	2.0
125.09729	2.7
171.10287	81.1
172.10678	3.7
183.10304	2.1
183.13905	9.4
185.11838	4.8
231.21159	3.4
235.17004	1.4
275.20178	100.0
276.20612	10.5
293.21274	81.5
294.21576	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	293.2126
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
50.04141	0.8
59.01375	1.4
69.32635	0.9
70.85155	1.6
71.83238	0.9
179.14397	1.6
195.13928	15.5
196.14580	2.5
223.13414	10.3
224.13979	1.3
256.13211	4.6
275.20148	8.6
293.21249	100.0
294.21558	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47253	1.3
54.02711	1.3
57.03444	2.2
59.01377	6.5
60.39944	1.3
66.88112	1.4
69.03441	2.0
71.00079	2.1
71.00409	2.3
71.05023	8.2
90.53739	1.4
100.49715	1.4
102.89603	1.5
109.61286	1.5
118.68481	1.4
209.15398	2.3
221.15514	2.2
223.17030	9.4
231.21162	3.1
235.17067	56.2
236.17410	2.6
241.56224	1.4
275.20163	50.0
276.20520	3.9
293.21259	100.0
294.21548	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06485	1.4
56.48527	1.3
57.03444	1.9
57.44299	1.3
59.01371	5.6
71.05016	1.7
95.78388	1.6
97.06577	1.7
98.19836	2.1
98.68625	1.9
113.09756	4.4
115.28841	1.4
121.10249	31.8
125.09740	1.8
127.11283	2.2
141.12880	1.7
170.40440	1.5
171.10300	74.1
172.10632	3.1
183.10263	3.0
184.30681	1.5
185.11816	8.3
203.05934	1.6
219.24339	1.7
223.16953	2.0
225.60263	1.5
231.21208	6.8
235.17084	10.0
275.20175	96.3
276.20480	8.5
293.21262	100.0
294.21564	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	293.2125
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.64000	1.0
54.18861	1.1
63.23693	1.2
70.31282	1.2
70.76995	2.4
70.77328	1.3
78.52671	1.1
82.67364	1.1
86.26659	1.2
139.11298	4.1
140.71339	1.4
153.12914	2.0
191.18121	4.3
221.15434	1.2
247.20648	3.4
254.67276	1.2
262.30179	1.2
293.21262	100.0
294.21609	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32424	0.2
59.01395	0.5
60.69318	0.2
69.20062	1.7
69.20485	0.5
71.01389	8.2
71.40380	0.2
81.03472	0.2
83.05000	0.3
84.01424	0.2
105.26836	0.2
108.83557	0.2
110.19226	0.2
113.99736	0.3
123.78372	0.2
127.07670	0.8
128.06049	0.3
139.29288	0.3
144.88574	0.3
148.05299	1.3
151.07632	0.5
152.91818	0.3
158.53360	0.3
164.08487	1.1
164.09694	0.2
168.49878	0.2
177.09229	5.3
190.10100	0.4
192.11571	7.1
193.12236	0.4
205.12357	7.2
206.12804	0.4
207.14009	1.1
217.08640	0.4
218.09454	2.2
220.14702	48.4
221.15474	100.0
222.15810	6.3
231.17520	0.2
235.13379	1.1
236.10550	66.8
237.10893	3.9
253.14481	0.3
293.17676	7.3
293.21106	1.0
294.18088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.4
68.64562	1.2
70.71777	3.5
71.01365	3.3
84.95845	1.5
95.05059	2.3
111.08171	2.2
113.09714	1.8
123.25392	1.4
135.11809	27.0
138.68112	1.4
139.07680	1.4
157.08705	78.6
158.09105	2.6
193.16031	1.6
211.07584	1.7
221.15475	5.8
223.17009	1.6
231.21155	5.9
232.89587	1.5
236.10576	4.2
249.18600	22.9
250.18912	2.7
275.20172	82.3
276.20514	8.1
288.33646	1.3
293.21237	100.0
294.21503	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	293.1553
Annotation	Radulanin B
Peak:m/z	Relative Intensity
50.00549	0.3
59.01383	1.2
65.00314	0.4
66.67985	0.3
70.17245	1.0
71.01393	0.9
73.02944	0.4
79.05544	1.7
89.02444	0.4
96.96012	0.6
97.44796	0.2
98.19846	0.2
102.16557	0.2
104.02682	0.3
107.05038	8.1
107.05735	0.5
119.05023	1.6
121.02950	0.4
121.06586	0.3
121.10262	1.9
123.00914	0.6
129.07083	0.5
136.08981	0.3
147.04552	1.5
148.01669	1.1
149.06114	0.4
157.06569	0.9
159.04527	0.6
159.08212	0.3
161.02509	0.5
171.10307	3.3
173.06047	0.4
174.06830	1.7
177.05585	1.9
177.09241	0.5
183.08101	0.5
185.06044	0.5
185.11736	0.3
186.28783	0.3
187.07648	2.1
188.08289	0.3
189.09271	2.0
190.06400	0.5
192.11591	0.6
193.16003	0.6
195.13936	2.7
200.08385	0.6
201.09222	10.7
202.09705	0.8
204.07924	0.8
205.12224	0.5
215.10789	1.9
219.06642	3.8
220.14668	2.5
221.15466	4.8
222.15739	0.4
223.07623	1.6
223.13348	1.3
225.09232	1.3
228.13815	0.3
231.11917	0.3
231.21068	0.5
233.13261	0.6
235.07635	0.8
235.17122	0.4
236.10542	3.4
237.09172	3.0
237.11005	0.3
238.09979	0.9
238.39021	0.3
245.09882	0.3
248.12038	0.6
249.18669	0.7
256.13251	0.6
259.11246	1.1
261.09198	0.6
261.12857	2.2
262.09988	0.7
263.10883	1.5
263.14395	1.9
265.15921	0.6
275.20203	6.4
276.20505	0.4
277.12354	30.9
278.13086	12.2
279.13428	0.9
291.10315	0.9
292.10947	1.4
293.15506	100.0
293.20877	21.7
294.15823	9.7
294.21048	1.3
307.13419	0.4
310.12112	4.9
311.12424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.3
58.00603	1.4
59.01387	61.4
70.59102	2.6
71.01392	30.1
72.01727	1.1
72.99335	0.9
73.02954	2.3
85.02968	6.8
85.06586	1.2
87.00898	1.2
89.02456	34.2
95.01424	2.4
95.48740	0.9
96.04556	1.4
101.02448	16.4
110.06129	35.3
110.06900	1.8
111.06454	1.1
112.04063	13.0
113.02454	10.0
113.06123	1.7
119.03505	14.5
120.44075	1.0
122.06168	1.5
123.03278	16.9
124.04063	14.4
125.02471	0.9
127.05144	1.3
131.03511	2.1
131.07172	4.6
136.07690	8.7
137.06059	1.5
138.05624	100.0
139.05971	2.9
140.07179	5.9
143.03569	1.3
146.06242	1.0
161.04553	1.9
182.04616	4.2
184.06157	25.5
185.06638	1.5
188.10867	1.8
216.08958	1.4
231.11403	6.8
232.29910	0.9
249.12610	0.9
251.11298	1.4
275.10553	1.6
293.12402	41.7
294.12595	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	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
58.00596	2.1
59.01387	50.2
60.01699	0.8
60.41106	0.7
60.81205	0.7
66.12961	0.6
67.36761	0.6
69.19492	4.0
69.19917	3.0
71.01391	24.2
71.51827	0.8
72.01723	0.7
72.99310	1.6
73.02943	2.6
83.01388	2.5
85.02961	6.4
85.06599	16.7
87.00853	2.2
89.02457	24.5
95.01401	1.5
99.00884	0.8
99.29451	0.6
100.00408	1.7
101.02463	17.1
113.02462	9.7
113.06091	5.1
115.07669	2.4
119.03516	11.0
125.02436	0.7
127.07658	1.7
131.07158	70.2
132.07451	2.5
142.86220	0.7
143.03487	1.2
144.02975	1.2
145.08714	1.3
148.06354	1.1
161.04543	0.9
163.87524	0.7
173.08167	2.0
179.05669	0.7
182.75304	0.6
293.12460	100.0
294.12790	6.5
313.38602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0883
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
58.00599	6.3
59.01386	91.6
69.03455	8.8
71.01390	96.2
71.55068	4.5
72.99311	2.9
73.02956	32.1
76.72916	2.7
80.01785	2.6
81.03459	5.8
83.01373	7.4
85.02937	16.7
87.00868	4.0
89.02451	100.0
95.01376	5.2
96.95978	3.9
97.02972	16.8
99.00880	38.9
101.02449	36.5
113.02440	7.8
115.04026	11.2
125.02459	46.5
131.03497	9.0
133.02968	11.8
134.03752	61.9
135.04546	18.9
137.02391	6.5
143.03435	5.7
147.51334	2.6
149.04570	8.7
161.04544	3.3
168.45969	2.9
177.01938	12.4
178.02722	24.3
179.03517	10.5
191.05632	9.4
233.06627	10.6
233.08528	6.1
293.04663	5.4
293.10159	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	292.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10516	0.6
58.02977	1.3
59.01389	3.3
67.23410	0.5
69.03491	0.8
70.72382	0.6
70.75760	1.6
71.01383	2.6
78.76863	0.6
89.02465	0.8
96.96024	1.3
97.02930	0.7
98.20577	0.7
117.03485	0.7
121.02946	0.7
121.06612	1.8
125.09721	0.8
131.03505	1.0
152.91774	2.0
156.13954	100.0
157.14313	4.5
161.04459	0.7
174.65860	0.6
177.09291	0.8
185.11874	1.2
187.07657	0.8
192.11497	1.0
194.92831	2.0
200.12936	4.5
205.12373	1.0
220.14673	6.8
221.15489	12.9
225.09190	0.9
236.10555	9.9
249.18704	0.7
262.13019	0.8
275.20078	1.1
276.11148	1.4
292.16708	1.3
292.19901	8.2
293.04608	2.2
293.15378	6.1
293.17715	1.4
293.21185	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	292.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
71.01388	2.3
71.55051	0.5
89.02460	1.2
95.42551	0.6
96.96025	0.7
104.43834	0.6
111.08185	0.7
117.03477	0.5
121.10200	0.8
152.91776	1.4
156.13950	100.0
157.14268	4.3
171.10289	0.9
177.09230	0.9
187.03259	0.6
192.11609	0.9
194.92824	1.4
200.12973	5.5
205.12366	1.2
207.13972	0.5
220.14709	7.6
221.15466	13.6
232.87476	0.6
236.10524	9.9
253.31805	0.6
261.99896	0.6
274.19061	0.8
275.20175	1.6
276.94785	0.6
292.19983	13.0
293.04617	1.3
293.08762	0.8
293.17868	1.3
293.21136	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	293.0882
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
54.84226	1.1
55.01880	1.2
57.03442	2.6
58.00615	2.2
59.01385	34.6
61.59098	1.1
64.52058	1.1
66.62495	1.0
67.28227	0.9
69.03448	1.6
69.92126	5.4
71.01389	100.0
72.01741	1.4
73.02956	46.2
79.46088	1.0
83.01371	3.2
85.02953	11.2
87.00886	2.6
89.02454	81.6
95.01399	2.1
97.03005	1.6
99.00901	2.4
101.02460	15.9
103.04034	11.1
113.02468	14.5
119.03540	6.8
131.03514	69.0
132.03899	1.1
142.72301	1.0
143.03522	21.6
152.07253	1.3
154.04539	1.2
159.03012	1.8
161.04575	13.3
169.98904	1.0
173.04480	1.8
233.06689	18.5
293.08939	18.2
293.12466	3.3
294.09189	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	0.3
57.03440	2.1
59.01373	1.4
66.40276	0.3
66.84542	0.3
66.86561	0.3
67.01884	1.3
69.03458	0.4
69.88643	1.7
69.91734	0.3
71.05035	0.3
72.99322	0.4
81.94843	0.3
83.05029	0.5
93.03443	0.4
93.07097	1.1
95.05033	0.9
97.06602	1.7
109.06580	0.4
111.00874	2.6
111.08173	3.7
119.21509	0.3
121.10245	12.2
122.10570	0.7
123.08200	1.6
125.09736	5.4
137.09706	0.5
141.12868	1.0
147.08177	0.5
149.09767	0.5
163.11237	0.4
165.12906	0.6
167.10812	0.7
171.10303	0.6
177.12852	1.1
179.10800	0.8
185.11832	12.2
186.12183	0.9
191.10857	0.5
195.13916	1.7
197.11830	3.1
209.11876	1.3
211.13428	1.2
223.01135	0.3
223.13428	0.7
247.13487	0.4
247.20667	1.5
250.06360	1.1
273.18686	1.7
275.10858	4.0
276.11517	5.1
277.11880	0.7
291.19678	100.0
292.20041	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	291.1969
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
55.61977	1.7
59.01377	4.5
67.05566	1.6
69.59441	8.4
69.59853	3.3
71.01388	3.4
97.06599	100.0
98.06949	2.2
110.01019	1.8
114.54780	2.0
121.02951	2.5
149.13393	2.4
171.10298	2.7
183.13916	3.8
193.12349	28.1
194.12863	4.1
209.04529	2.5
211.13416	76.2
212.13744	2.3
229.19670	2.4
247.02405	2.2
263.20169	2.7
273.18649	4.6
291.19699	91.4
292.20096	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	291.2334
Annotation	Grevillol
Peak:m/z	Relative Intensity
59.01372	1.0
69.88795	0.9
121.02971	1.8
149.00934	1.0
166.03293	0.9
209.01314	2.5
209.04533	1.6
219.20898	1.0
229.07973	1.1
247.02525	2.0
273.22409	1.1
277.15695	1.1
289.07581	1.3
291.04218	1.6
291.09146	47.4
291.20117	3.8
291.23325	100.0
292.09158	5.3
292.23648	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29240	0.6
52.44101	0.6
57.03439	2.2
69.40771	4.4
75.69168	0.6
83.05029	0.9
84.72713	0.5
93.07082	1.5
97.06580	1.9
111.08186	0.8
121.10245	15.1
123.08179	1.7
125.09756	7.2
126.90686	0.6
141.12852	0.7
147.08182	0.9
165.12852	0.9
185.11841	15.1
186.12173	1.2
197.11888	3.2
209.11856	1.8
211.13396	2.3
225.86867	0.6
247.20660	1.4
273.18680	1.5
291.19681	100.0
292.19986	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	291.197
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
68.00671	0.4
69.29137	0.3
69.52376	2.7
87.05074	0.4
121.02940	0.6
291.19693	100.0
292.20016	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52884	2.9
97.20032	0.5
98.20694	0.5
155.06102	0.5
158.60265	0.5
165.12854	4.8
180.23320	0.5
247.20703	2.8
273.18582	1.2
291.19684	100.0
292.20010	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03448	3.1
59.01384	39.6
61.01031	1.3
67.05537	7.2
69.03448	2.6
70.54063	2.3
71.01388	16.8
71.05032	0.8
72.99330	1.6
73.02955	4.0
75.00866	3.1
81.03452	2.3
83.01392	3.2
83.05022	4.5
85.02970	6.5
85.06593	3.5
87.00879	3.6
88.04056	1.6
89.02459	9.8
95.01366	1.3
97.02968	2.0
99.00888	2.2
99.04508	4.2
101.02455	11.3
110.06087	1.0
111.04532	36.5
111.69103	0.9
112.04828	1.4
113.02469	6.3
115.02105	4.8
118.98071	0.9
119.03493	4.0
127.03987	1.6
129.01958	1.7
129.05594	45.5
130.05945	1.0
130.08708	1.4
131.03444	1.5
132.98192	2.0
133.05046	3.4
135.02995	7.5
137.02463	8.9
139.59830	0.8
141.01930	0.9
143.03488	2.4
155.02283	1.5
155.03511	25.6
156.03754	1.4
157.03171	2.1
159.02963	2.0
159.04726	6.3
159.06670	1.1
160.06178	2.0
161.04591	2.0
167.41794	1.0
173.04561	100.0
173.08176	2.5
174.04890	2.6
175.04169	1.8
193.52499	0.8
231.01837	0.9
273.14474	1.4
290.97037	1.6
291.06894	3.8
291.09225	14.1
291.19644	1.2
292.13943	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	289.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26087	0.9
57.03454	18.3
59.01388	2.0
67.81890	1.1
71.55050	1.1
83.05020	1.2
96.96007	1.1
99.90776	1.0
109.02959	0.9
135.04562	1.1
147.58156	1.0
229.15935	10.1
230.16309	1.0
263.14444	1.2
289.18170	100.0
290.18494	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	290.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41041	1.0
55.01886	6.4
57.03453	6.9
58.00599	2.5
59.01385	58.2
61.48896	0.8
69.03469	2.5
70.03008	1.3
70.77854	0.8
71.01389	100.0
71.53716	1.1
72.01723	1.2
72.99320	3.1
73.02954	29.5
74.61018	0.8
75.00876	2.6
80.96552	1.0
81.03458	1.4
83.01400	12.1
83.05038	2.3
84.02168	1.0
84.04578	0.9
85.02960	41.6
87.00887	11.6
88.04046	1.2
89.02454	24.0
93.03485	1.0
95.01389	8.0
96.00937	1.1
97.02954	3.3
97.06578	1.1
97.20225	0.9
99.00884	10.6
99.04514	2.1
101.02452	67.9
102.02752	1.4
110.06142	2.2
111.00852	1.0
111.04505	4.6
112.98846	1.4
113.02460	39.9
113.06098	1.9
114.01982	1.8
114.02791	1.1
117.05564	1.0
118.98086	1.5
119.03521	8.6
125.02470	2.4
125.06066	1.0
126.05614	2.5
127.04028	2.0
128.07190	18.3
129.01938	2.2
129.05602	11.6
131.03586	1.1
134.05478	1.1
139.00349	1.0
143.03520	3.9
143.07164	2.1
147.04590	1.0
157.05035	1.0
158.05353	1.0
158.08142	1.0
159.02997	10.0
159.06660	2.5
161.04573	35.2
161.06477	2.1
165.04146	1.1
170.08220	2.4
173.04539	6.1
200.06461	1.6
202.10875	2.5
210.87544	1.0
235.07425	1.0
290.12592	13.8
291.07910	1.7
291.10773	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	289.158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	28.3
60.52525	9.5
61.98833	12.6
69.27597	22.6
69.27995	88.1
71.01389	27.2
83.05071	9.6
107.05061	14.7
108.02224	15.8
119.08697	23.8
128.86952	9.7
137.97820	18.2
165.97308	77.1
180.99664	90.4
199.00714	12.0
208.93454	17.3
215.46617	10.6
289.09711	22.6
289.14639	23.5
289.18130	100.0
290.18439	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	289.158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	28.3
60.52525	9.5
61.98833	12.6
69.27597	22.6
69.27995	88.1
71.01389	27.2
83.05071	9.6
107.05061	14.7
108.02224	15.8
119.08697	23.8
128.86952	9.7
137.97820	18.2
165.97308	77.1
180.99664	90.4
199.00714	12.0
208.93454	17.3
215.46617	10.6
289.09711	22.6
289.14639	23.5
289.18130	100.0
290.18439	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	289.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13815	1.7
53.51860	2.0
57.03456	15.8
69.89074	3.2
69.89494	6.4
98.20552	2.3
109.03013	2.2
109.06622	2.2
151.04050	2.2
229.15959	11.8
245.19106	2.0
287.14346	2.7
289.02930	1.8
289.07098	1.8
289.18195	100.0
290.18610	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	289.1448
Annotation	Platensic Acid
Peak:m/z	Relative Intensity
59.01378	0.4
65.00340	0.6
66.35598	0.3
66.60287	0.3
71.54542	0.4
79.05518	0.6
82.16579	0.2
91.01929	0.6
93.03459	1.0
104.13251	0.2
106.04277	1.8
107.05034	0.5
108.02190	0.6
109.02935	0.8
117.03455	0.4
121.02960	6.0
122.03756	6.9
123.04501	0.5
130.03278	0.5
130.04256	9.2
131.04602	0.4
133.02937	1.4
134.03743	0.3
135.04543	0.7
136.50046	0.3
138.03200	0.7
143.05031	5.4
144.05832	2.5
145.06609	9.6
146.07024	0.3
149.02405	0.9
150.03218	1.4
157.06606	5.3
158.07385	1.9
159.04549	1.4
159.08167	7.2
160.05084	0.4
160.08549	0.3
161.02431	2.5
161.06075	1.1
162.03259	1.7
163.07622	0.3
165.01935	3.2
170.07347	0.6
171.08180	1.8
172.08980	0.4
173.06084	0.7
174.06818	0.5
175.07697	0.3
177.01949	1.0
177.12886	0.9
182.02252	0.5
185.06085	0.4
187.04002	2.7
190.06384	0.8
197.09682	0.3
201.05693	1.5
202.06310	1.1
203.07159	0.4
211.11270	0.4
212.12022	0.3
217.18710	0.3
227.14430	7.3
228.14830	0.5
243.13795	0.3
245.15497	3.7
269.11752	0.5
271.13412	64.1
272.13751	5.3
289.14481	100.0
290.11496	0.4
290.14810	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	289.1196
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
57.03437	0.6
59.01353	0.9
60.91381	0.6
64.01940	0.7
69.32084	3.7
76.05960	0.6
80.05054	1.4
83.05030	0.7
89.20584	0.5
92.05070	6.3
94.06073	1.2
94.06635	15.1
95.05042	0.9
103.04354	0.6
104.05072	5.2
105.03464	3.6
106.03011	0.9
106.06636	45.4
107.03789	1.8
107.06971	1.5
108.04565	4.5
110.02506	1.1
115.07677	1.5
117.58778	0.6
120.04565	17.7
121.05383	4.4
122.02515	1.5
122.06134	45.7
123.03269	10.4
123.06466	1.7
124.07710	1.7
131.03720	0.9
132.04568	12.1
134.06166	0.9
135.03278	2.1
136.04027	1.6
138.05623	82.8
139.05960	2.6
140.07176	3.5
144.08290	0.9
147.03323	0.6
147.04552	1.4
148.04102	4.7
150.05614	24.4
152.01173	1.2
158.09721	1.5
159.06911	3.0
164.03503	1.4
166.05063	5.1
172.07607	0.8
172.11343	0.9
173.08472	2.2
174.12909	2.8
184.11296	3.4
187.09947	1.5
188.07213	3.1
189.07997	7.5
191.03566	1.0
192.03969	0.6
197.07214	0.7
198.07916	1.5
199.08942	0.6
200.05986	1.3
200.09474	0.9
202.08739	2.1
202.12399	8.4
203.09514	3.3
212.09550	2.2
213.06694	4.5
214.07500	1.6
215.11884	8.4
216.10388	0.8
217.07439	15.9
218.11858	1.4
225.10368	1.0
226.07368	1.8
227.08235	2.0
227.11835	3.1
228.09065	2.5
229.09833	2.8
231.06859	1.1
231.09001	7.0
231.11403	3.6
241.06218	1.2
241.09859	11.7
242.06917	1.3
242.10439	1.2
243.11378	12.4
244.11768	0.7
246.11340	8.3
253.09868	1.1
256.08609	0.7
259.10928	7.1
271.10913	23.8
272.11258	1.5
275.56464	0.7
289.11972	100.0
290.12268	7.1
310.27298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1198
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
57.03472	0.9
59.01392	1.9
65.03957	0.7
69.47630	5.3
71.01389	1.9
73.02946	0.8
79.95769	1.8
80.96530	1.1
83.05035	1.7
91.42033	0.6
94.71786	0.7
98.20641	1.3
101.02484	0.9
107.26576	0.7
108.04573	2.8
109.02983	1.0
113.02500	0.8
113.06103	2.0
116.87762	0.6
117.97504	0.7
119.05085	0.7
120.04591	1.0
122.06168	3.9
124.04104	1.6
127.07686	1.6
132.04626	1.1
134.06149	5.3
136.04076	2.8
136.07697	1.6
137.02463	1.1
145.05128	1.7
148.03934	0.8
149.04707	0.6
150.05666	4.0
157.05127	1.4
157.08734	3.4
158.06058	0.7
161.07211	1.5
162.05666	0.8
170.06111	0.8
171.06700	1.0
171.10234	1.5
172.07733	0.9
175.05177	1.1
176.07224	0.8
184.07750	4.0
185.08348	1.4
185.09760	3.8
198.09291	0.8
199.08763	4.3
200.10791	3.9
212.05896	9.8
213.06628	10.1
213.42810	0.7
214.07373	1.9
214.60443	0.7
215.08241	2.0
226.07195	0.8
227.08279	34.0
228.08955	47.5
229.09592	6.9
241.09793	2.3
242.10608	2.0
243.11372	8.9
244.08554	1.5
245.12949	0.7
252.26512	0.8
256.08572	3.1
259.10895	3.5
271.10907	100.0
272.11243	7.2
289.03885	1.1
289.07187	4.1
289.11966	23.9
289.16617	2.9
290.12216	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	289.0834
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
57.70693	0.6
59.01376	4.9
60.88357	0.6
71.01388	11.7
73.34911	0.6
80.96539	0.7
85.02935	1.0
87.04501	0.6
88.04050	100.0
89.04333	1.4
90.97220	0.7
109.02995	0.6
114.01983	3.5
114.99569	1.1
115.00388	20.0
122.06145	1.5
130.06644	3.1
132.03041	63.1
146.06107	4.7
156.04565	8.3
157.08716	8.6
161.02422	1.1
171.10269	2.4
173.07227	13.9
174.05615	16.6
174.07195	1.1
174.07742	0.7
245.09354	7.1
271.07407	1.2
271.10739	0.9
289.08325	33.4
289.11255	2.2
289.16617	1.2
290.08566	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	289.1086
Annotation	4,5-Dimethoxy-3,3',4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
59.01379	5.0
68.99834	7.2
69.62230	10.8
71.01395	4.9
72.99315	6.1
73.02965	1.9
83.01392	2.8
85.02964	2.5
87.00880	9.4
96.96053	2.3
101.02458	8.7
104.85380	2.0
107.05025	3.9
109.02945	5.9
109.06557	1.8
119.08725	2.2
129.65323	1.9
145.02992	2.4
157.06622	7.7
158.03755	4.4
159.04507	13.4
159.08179	3.7
161.02441	7.6
163.04114	2.0
167.46036	1.9
171.04570	7.6
172.05307	43.1
173.06081	18.3
174.03212	38.5
175.03844	5.0
175.07626	13.5
177.01979	5.7
183.04466	5.5
184.05290	3.3
184.23810	1.8
185.06061	13.8
186.03316	2.4
186.06874	8.8
187.04044	30.5
187.07657	68.9
188.04735	7.2
188.08037	3.0
189.01991	17.7
189.05586	18.0
190.02655	3.2
190.06274	3.0
191.07133	3.2
196.05356	5.1
199.04031	39.0
200.04800	68.1
201.05565	42.6
201.09262	7.5
202.06337	7.9
203.07153	71.9
204.04263	17.5
204.07381	3.1
205.05090	2.4
211.04048	4.2
211.07619	3.8
212.04893	2.3
213.05611	7.8
213.09277	5.6
214.06392	8.2
215.07141	96.5
216.04411	2.3
216.07848	24.3
217.05116	9.1
217.08681	2.9
218.02267	2.2
218.05771	2.5
219.06738	5.0
224.04898	2.6
227.03485	18.5
227.07202	8.6
228.04305	75.1
228.07748	13.1
229.05098	25.4
229.08681	39.2
230.05824	9.1
231.06628	29.6
232.03844	5.0
232.07098	2.1
233.08157	3.9
239.07132	15.3
241.08643	3.1
242.05788	4.1
243.06766	2.0
245.08188	73.7
246.08847	6.2
257.04648	7.4
257.08212	100.0
258.08673	9.6
259.06250	4.1
259.09647	3.4
260.06924	6.0
266.26935	2.1
289.07285	11.7
289.10840	58.7
289.17966	17.6
290.11121	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	287.2232
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
57.03457	0.4
59.01379	1.2
69.57452	0.2
71.01379	0.3
71.54579	0.5
78.95929	0.4
80.02657	0.3
91.01901	0.6
93.03458	0.2
95.05042	0.4
97.02934	0.3
97.06606	0.5
99.08177	1.6
107.01415	0.4
108.02187	0.8
109.02969	1.6
109.06578	0.5
116.71107	0.3
118.56622	0.2
121.06572	0.3
123.08132	0.3
125.02428	0.8
127.11333	0.4
127.46027	0.2
129.09242	0.9
134.03745	1.0
135.00914	0.8
135.04379	0.8
136.01685	0.5
137.02443	0.7
139.11279	0.3
141.12849	1.5
149.02441	0.3
149.06125	0.4
151.00349	0.8
153.01970	0.3
154.02261	0.3
155.14397	0.6
175.11272	0.4
189.12877	0.5
199.07741	0.3
211.20665	0.3
227.16577	0.3
239.20093	0.6
241.21698	1.2
243.06488	0.5
243.17601	2.2
257.04245	0.3
263.04446	0.2
269.21225	3.3
285.20813	1.8
286.98709	0.3
287.04913	1.5
287.08832	3.4
287.16672	4.6
287.22293	100.0
288.09259	0.4
288.17056	0.6
288.22662	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
69.20441	0.5
69.20846	2.6
71.60224	0.3
81.03468	1.6
92.05093	1.3
93.03461	2.1
93.92676	0.3
98.47960	0.3
107.03770	0.5
108.02214	0.5
108.04565	6.2
109.02965	7.0
124.01669	0.4
134.02493	37.9
135.03308	11.0
136.04057	44.4
137.02457	2.0
137.04366	1.4
144.27925	0.4
148.04077	1.1
149.04845	1.3
176.03546	4.4
176.07257	0.4
177.04237	0.8
190.05133	0.9
204.06758	0.4
288.16071	100.0
289.16388	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	287.1505
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
55.73776	0.5
58.21712	0.5
59.01386	100.0
60.01718	1.1
60.76493	0.5
64.44942	0.5
71.54769	0.6
73.65797	0.4
75.62762	0.4
99.04509	2.6
109.06611	0.5
155.10803	0.5
165.12859	2.1
192.04259	0.5
207.13963	2.8
209.11865	8.1
225.14966	7.2
227.12906	53.1
228.13271	2.0
243.06673	0.6
251.12895	1.1
269.13989	14.4
270.14185	0.7
287.05954	1.3
287.15021	80.4
288.15335	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	287.1658
Annotation	4-hydroxyestradiol
Peak:m/z	Relative Intensity
50.34018	0.7
50.81759	0.6
52.98861	0.7
59.01382	1.6
71.01387	0.8
71.55028	1.3
71.65853	0.7
72.99322	0.9
73.02964	0.7
83.01370	1.0
109.02959	1.1
117.05403	0.7
121.02956	1.3
125.02467	2.0
135.04521	1.8
136.05302	2.4
163.04021	30.0
164.04793	7.9
175.04027	12.1
176.04483	0.8
189.05646	1.7
203.07112	3.4
242.72531	0.8
245.15417	1.8
271.13245	0.8
287.04617	2.2
287.16556	100.0
288.16907	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	287.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30363	1.9
53.53000	2.1
53.84477	1.8
58.92382	1.5
59.01386	100.0
63.40656	1.6
68.06405	1.6
71.54599	1.7
78.71904	1.5
79.95726	1.9
96.17195	1.7
108.08617	1.8
109.02968	2.3
121.02900	2.6
143.54581	1.6
165.01970	2.6
199.04080	2.1
200.04790	5.2
227.03636	2.2
227.12932	2.3
228.04240	3.1
237.18364	1.6
243.06732	4.0
243.11365	4.0
271.31805	1.7
287.05713	3.5
287.10175	1.9
287.15054	8.1
287.18585	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	287.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.1
64.96606	0.9
65.00329	1.2
69.56568	0.7
69.56921	5.2
70.29256	0.8
71.01367	1.3
80.02680	6.0
84.77718	0.8
91.01909	0.9
93.03467	3.4
95.01398	3.0
95.05051	0.8
101.02426	1.1
107.01395	4.7
107.05058	1.1
108.02184	100.0
109.03075	5.1
111.00847	0.9
119.51199	0.9
121.02969	14.8
123.00921	1.3
123.04534	42.5
124.04830	1.2
125.02459	3.6
133.02928	0.9
135.00905	2.8
135.04530	2.3
136.01680	11.4
137.02472	8.5
149.02422	3.9
150.03227	2.2
151.00372	1.8
151.04021	70.1
152.04330	2.2
156.39139	0.7
163.00372	1.2
165.01891	0.8
165.05602	4.7
171.04491	1.9
195.96902	0.9
199.04057	1.5
200.04796	1.0
211.04007	2.3
213.05557	2.9
215.03497	2.4
226.02596	1.0
227.03435	2.3
228.04274	1.0
228.07912	1.9
239.03557	4.9
241.05058	10.0
242.05670	1.3
243.02942	1.3
243.06467	0.8
243.10332	1.2
244.03758	0.7
254.05829	1.7
257.08203	16.3
258.08347	1.1
259.06171	0.9
259.06757	1.0
259.09763	12.7
260.10120	0.8
269.04269	1.0
269.08319	0.9
272.03259	1.8
285.07748	1.2
287.05386	5.7
287.09262	87.1
287.22275	4.4
288.09604	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
59.79546	0.8
65.00341	1.0
65.03973	2.1
67.01888	1.4
68.99819	1.1
69.03465	9.9
71.01381	1.5
71.54259	0.8
71.54688	1.3
79.01899	1.1
80.02680	1.3
81.03461	8.2
83.01393	4.8
89.68241	0.7
91.01904	27.5
92.02253	1.1
93.03467	11.7
95.01431	2.0
97.02967	11.2
104.52415	0.8
107.01433	2.7
108.02185	61.0
109.02976	15.1
111.00869	1.5
111.04521	5.1
111.16798	0.8
121.02975	11.2
122.03761	6.6
123.00951	2.4
123.04534	46.1
124.01702	4.1
124.04878	1.8
125.02460	100.0
126.02792	2.9
133.02995	4.6
134.03761	12.6
135.00900	71.9
135.04492	1.8
136.01794	4.0
137.02451	22.6
137.06107	2.0
138.03264	11.1
139.04015	1.4
145.02972	2.7
146.03740	4.1
147.04579	1.0
148.01636	3.9
149.02444	0.8
149.06093	25.2
149.99632	4.2
150.03265	0.9
150.06429	1.1
151.00427	1.9
151.04025	28.7
152.04366	1.2
153.01967	21.9
158.83052	0.8
159.04619	1.6
162.03275	0.9
163.00391	77.6
163.04074	1.7
164.00737	2.2
165.00714	0.8
165.01915	4.9
165.05597	3.7
169.12317	0.9
170.02290	0.9
171.04500	1.1
174.03230	4.0
177.05576	4.6
183.03009	3.2
183.04489	1.6
185.06104	2.2
186.06866	2.6
187.04042	2.6
188.04773	1.1
189.05612	1.4
193.01439	7.1
197.06091	1.2
198.06845	1.1
199.04008	2.2
201.01984	0.8
201.05615	1.7
201.09317	1.0
202.06355	1.4
209.06033	2.2
210.06856	3.5
211.03972	1.7
213.05612	7.2
214.06056	0.9
215.03520	1.1
216.04317	1.4
217.08771	1.6
225.05579	3.7
226.06380	8.7
227.03496	1.1
227.07008	1.5
228.07930	21.0
229.04932	1.3
230.05792	1.8
241.08736	2.5
242.05800	1.2
243.03001	1.7
243.06618	2.1
243.10332	3.6
245.08173	0.9
251.07286	1.3
253.05077	2.8
254.05861	35.0
255.06285	3.3
257.08182	1.7
259.09760	4.1
269.08218	27.6
270.08572	2.7
272.06964	4.0
278.43890	1.0
287.02029	1.5
287.05463	16.9
287.09277	53.7
287.12805	5.3
287.22177	0.9
288.06094	1.7
288.09613	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	287.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57369	0.3
65.03970	8.9
67.01888	3.5
69.69759	0.8
69.70170	1.9
84.36884	0.3
86.44564	0.4
91.01914	0.9
93.03465	0.7
107.01392	2.9
108.02213	4.4
109.02963	100.0
110.03313	3.0
120.31495	0.4
121.02993	1.0
122.03769	0.6
123.00906	0.7
133.02968	0.8
135.00908	0.5
136.01671	7.0
137.02461	4.9
148.00558	0.7
148.01675	9.8
149.02052	0.6
162.03224	6.5
165.01950	2.7
166.02675	0.5
176.32852	0.4
177.05589	10.7
178.05844	0.4
210.06850	0.8
225.09326	0.7
226.06439	0.6
254.05930	2.1
269.08231	2.3
287.09274	47.2
288.09595	4.4
304.56400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
65.03967	0.4
66.24673	0.2
67.57545	0.3
67.65636	0.2
69.05180	0.2
69.49071	0.4
69.49476	1.5
77.33862	0.3
79.05539	2.6
91.05524	0.3
103.05538	0.4
105.03489	0.5
107.04315	0.5
107.05042	9.2
109.02951	0.3
125.02451	0.3
135.04529	0.5
143.05074	0.3
157.06677	0.5
158.03731	0.7
159.65031	0.3
169.10204	0.9
170.07402	0.4
170.28851	0.3
172.05238	0.5
175.07686	4.0
183.04556	0.5
183.08209	0.5
185.09697	0.8
195.08165	1.7
197.06062	1.3
198.06792	1.1
201.05588	0.4
211.07710	0.6
212.08348	1.6
213.09230	65.5
214.09581	4.2
225.09221	1.3
243.10307	3.8
257.04428	0.4
257.08252	0.8
269.08066	1.9
271.06122	0.6
272.06854	1.5
287.09274	100.0
288.09625	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.093
Annotation	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
Peak:m/z	Relative Intensity
59.01383	0.3
71.01383	0.2
71.54865	0.2
74.99623	0.2
83.05037	0.3
85.06593	0.2
93.03465	0.2
97.83681	0.2
102.78154	0.2
107.01398	0.6
107.05071	0.2
109.02962	6.7
112.16525	0.2
125.02431	0.5
134.17262	0.2
135.04564	0.6
136.01686	0.3
137.02458	100.0
138.02789	3.2
143.09227	0.2
148.07629	0.4
151.00392	0.6
151.03983	0.4
152.04826	1.2
166.99887	0.2
181.01442	4.5
182.02119	0.2
184.03787	0.9
189.13087	0.2
196.42917	0.2
199.07695	0.6
227.07161	4.0
228.07936	38.4
229.08250	2.5
239.20264	0.2
243.06525	0.5
243.10289	5.5
243.17455	0.3
244.10661	0.5
254.05782	0.2
272.06879	2.8
287.09268	53.8
287.22275	4.7
288.09625	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	287.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58062	0.5
55.68513	0.5
66.71376	0.5
68.79308	0.5
69.76260	3.2
82.16135	0.5
82.49010	0.5
85.69014	0.5
98.65695	0.5
103.89014	0.4
118.52943	0.6
121.98273	0.5
125.02474	0.9
132.04614	1.4
133.78906	0.5
144.04594	0.9
145.04111	1.1
150.25029	0.5
157.07715	1.8
173.03557	3.9
173.59113	0.6
181.07703	1.3
183.05644	11.5
199.08717	0.8
200.04662	0.6
215.04642	37.7
216.04951	1.8
225.06535	0.8
243.07796	4.9
287.06766	100.0
288.07092	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	287.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.2
65.03970	5.8
67.01894	2.3
70.10629	0.5
70.11022	0.4
80.02687	0.8
82.00713	0.2
91.01907	3.1
93.78188	0.2
102.41573	0.2
107.01399	3.7
107.02077	0.4
108.02194	4.4
109.02964	100.0
109.82092	0.2
110.03292	3.0
121.02955	0.7
123.00911	1.0
124.01678	0.2
132.02139	1.0
132.14441	0.2
135.00894	4.3
135.04550	0.6
136.01678	8.4
146.59288	0.2
147.04558	0.6
149.86633	0.2
150.03131	0.3
151.00330	0.3
153.01953	0.9
165.09825	0.2
184.05403	0.2
195.04446	0.3
196.05302	0.2
197.06100	0.2
199.07660	0.2
223.04004	2.1
224.04805	11.8
225.05136	0.7
239.07156	7.9
240.07484	0.9
242.05873	0.8
257.08221	27.9
258.08536	2.2
269.00906	0.3
269.08234	0.8
272.03329	0.4
287.09277	31.2
288.09671	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	287.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65675	0.4
59.01383	0.8
62.99369	0.5
70.72228	0.6
70.72556	0.9
73.07067	0.6
80.87316	0.5
83.05061	0.8
84.08959	0.5
95.01407	0.8
106.04240	1.7
108.02180	1.8
109.02965	3.8
120.02164	0.6
121.02937	2.9
123.00912	0.8
123.04515	0.7
125.02502	1.0
134.03766	9.7
135.00905	0.8
135.04494	1.6
137.02469	3.1
149.02443	11.6
151.00371	1.1
151.04002	3.0
169.06573	0.7
179.08678	2.0
181.10254	13.2
182.10510	0.9
197.09737	2.3
225.09221	70.8
226.09586	4.0
269.08206	100.0
270.08542	8.4
287.04565	2.6
287.09256	8.8
287.19351	0.7
287.22293	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	287.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75446	0.9
59.01375	1.9
60.96958	1.0
61.84293	0.8
62.51255	0.8
65.00316	1.1
65.03981	1.0
67.01888	2.1
68.99817	1.0
69.03465	6.7
71.01382	1.6
80.02660	2.0
81.03065	0.8
81.03457	5.0
83.01392	3.6
85.02914	1.1
88.47933	0.9
91.01906	33.0
93.03476	7.9
95.01379	1.9
95.04998	1.3
97.02969	9.9
102.78019	0.8
107.01405	3.6
108.02187	73.0
109.02998	12.1
111.00922	1.5
111.04564	4.2
121.02964	9.0
122.03802	5.0
123.00903	4.5
123.04542	50.0
124.01650	2.9
124.04845	1.2
125.02464	68.8
126.02783	1.9
131.28032	0.9
133.02962	3.5
134.03793	9.8
135.00902	91.7
135.04463	1.6
136.01768	5.4
137.02470	20.3
137.06079	1.0
138.03281	7.1
139.04082	1.2
145.02950	1.3
146.03731	2.9
148.01660	3.7
149.06102	19.7
149.99586	2.1
151.00412	2.2
151.02914	1.7
151.04031	24.2
153.00726	1.6
153.01961	27.0
158.03770	1.0
159.04543	1.0
161.02429	1.2
162.03136	1.3
163.00394	100.0
163.04054	2.5
164.00740	3.3
165.01968	1.3
165.05582	2.5
174.03214	2.7
175.04008	0.9
177.05525	4.3
183.02936	1.8
183.04469	1.2
185.06026	1.7
186.06937	1.6
187.03983	3.0
188.28735	1.1
193.01414	2.9
197.05975	1.3
198.06821	0.9
199.03946	1.1
200.44002	0.9
201.05608	1.7
201.62425	1.0
202.06331	1.2
209.06010	1.8
209.09306	0.9
210.06845	2.6
211.04025	1.9
213.05544	4.2
215.03455	1.7
218.37630	1.1
225.05563	2.4
226.06348	5.2
227.03467	1.2
227.07048	2.0
228.04279	1.4
228.07925	16.8
239.03345	1.2
241.08661	1.4
243.02892	2.5
243.06636	1.9
243.10260	3.9
244.03705	1.2
253.05035	2.1
254.05852	23.6
255.06238	1.5
257.08170	1.1
259.09750	2.8
269.01071	0.8
269.08206	21.3
270.08496	1.8
272.07001	2.7
287.01865	1.8
287.05420	17.2
287.09207	39.5
287.12692	3.1
287.22250	2.0
288.06058	1.2
288.09631	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	287.0565
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
55.08473	0.6
57.03476	0.6
59.01380	2.4
71.01384	1.6
71.54468	0.5
71.54875	0.6
74.02492	0.7
80.27351	0.6
81.03479	0.7
83.01409	0.8
85.02963	1.2
87.00896	0.8
91.01932	0.6
93.03457	0.6
95.01385	2.7
95.05067	0.7
97.02940	1.0
97.06641	0.9
104.05081	0.7
108.02206	0.7
109.02982	2.3
111.00907	2.6
111.04524	2.1
114.05618	2.1
121.02903	0.9
123.00866	1.0
123.04543	0.7
125.02441	2.5
125.06081	1.4
132.02174	0.9
133.03036	1.3
135.00876	0.8
137.02464	1.0
137.06123	0.9
139.04100	0.8
143.05035	1.4
145.02969	0.7
146.03719	1.4
148.01675	16.2
149.02357	0.7
155.05014	0.6
155.07149	0.7
156.05728	0.9
157.02896	2.7
158.03764	0.8
159.03165	0.6
159.04507	2.0
160.01677	1.5
161.02498	1.4
163.00401	0.8
163.04042	1.3
167.05067	0.7
169.05098	0.7
171.04547	7.2
172.05316	5.0
173.05898	0.6
174.03276	1.9
180.20238	0.6
183.04529	7.8
184.05299	12.3
185.05705	1.1
186.03226	2.0
187.04036	3.7
188.04581	0.7
189.05595	0.7
199.04025	29.2
200.04796	21.5
201.05345	1.4
203.03503	1.8
211.03975	2.0
212.04593	0.7
213.01947	1.0
215.03410	3.3
215.07100	1.0
216.04269	2.5
227.03519	14.9
228.04292	100.0
229.04614	6.2
243.02960	1.1
243.06650	24.5
244.03752	3.6
244.06935	1.4
257.04620	1.6
259.06149	2.4
271.02527	0.9
272.03290	36.0
273.03711	1.6
287.02307	1.1
287.05627	21.7
287.10480	1.3
287.14810	3.2
288.05740	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	287.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
63.02401	2.6
65.00330	12.5
65.03572	0.2
69.17993	2.0
69.39875	0.2
74.40713	0.2
80.81249	0.2
81.03478	0.2
83.01392	6.0
93.03455	1.2
107.01400	16.7
107.05038	0.4
108.01694	0.2
108.99350	0.2
109.02979	2.0
117.03477	0.4
124.01637	0.3
125.02457	3.6
133.03009	0.3
134.03763	2.1
135.04536	100.0
136.03841	0.2
136.04855	3.8
137.02441	0.3
149.99568	0.5
151.00380	86.6
152.00696	2.8
159.04483	0.2
161.02444	0.8
165.01936	1.2
169.01442	0.6
169.12376	0.3
177.01961	0.5
193.01418	0.4
220.82402	0.2
240.93993	0.2
264.19232	0.2
269.04553	0.5
287.05640	12.6
288.05954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	8.7
59.01385	11.0
59.01678	1.2
60.01710	1.3
62.78149	0.8
63.33665	0.8
67.23271	0.8
70.02982	31.5
71.01373	1.8
71.02518	1.4
73.53980	1.0
79.95724	2.3
80.90302	0.9
82.06615	0.8
83.21091	0.8
95.02555	1.2
96.00924	63.7
97.01286	1.3
109.02964	1.3
110.06156	1.0
111.04465	1.2
112.07678	2.9
113.03573	8.4
114.01980	76.5
115.02325	1.3
116.07156	1.6
117.76743	1.0
125.02486	1.1
129.10353	100.0
130.10693	2.2
131.04637	25.6
137.02455	2.4
140.85124	0.9
153.10374	4.6
154.05167	1.0
154.08723	1.3
170.08235	2.0
171.11404	95.8
172.11720	3.4
182.12987	1.4
197.80777	0.9
200.14073	3.6
226.11934	1.2
226.16336	1.1
243.04019	1.0
268.13062	16.8
286.04526	2.3
286.09967	2.8
286.14105	59.9
287.09528	5.9
287.14395	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	286.239
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.03439	0.4
59.01363	0.9
60.62666	0.5
62.09312	0.4
65.60154	0.5
67.15263	0.4
70.02977	0.8
70.66492	0.8
74.06138	2.6
74.70914	0.5
78.58224	0.4
85.97868	0.5
109.02973	0.5
117.07069	0.5
118.05118	0.8
118.63313	0.6
125.52866	0.4
129.82065	0.4
134.03270	0.7
142.36095	0.4
207.10274	3.7
240.23264	3.0
242.04384	0.6
242.21252	2.0
268.22946	1.0
270.03976	1.3
271.04614	5.4
286.04282	3.2
286.07095	5.2
286.23892	100.0
287.16550	0.5
287.24326	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	287.0563
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03455	15.3
57.03724	1.7
58.78912	0.9
59.01389	6.5
63.02415	4.2
63.93587	0.8
65.00333	9.5
75.76510	0.8
76.58489	0.9
81.03475	3.3
83.01394	11.8
85.02958	0.9
93.03458	3.2
95.01392	1.4
95.07069	0.9
98.19859	1.8
98.27061	0.9
107.01424	7.8
108.02203	1.2
109.02962	5.5
116.81402	0.8
117.03508	1.0
121.02979	2.8
123.00885	0.9
123.04544	2.4
124.01660	3.7
125.02463	100.0
126.02822	2.5
129.16098	0.7
131.05040	2.6
133.02950	2.7
134.03749	1.6
135.04507	3.2
136.01659	1.0
137.02487	1.2
139.00397	0.9
149.06036	0.9
151.00392	15.7
152.01161	9.3
153.02007	4.3
157.06596	2.2
159.04491	2.2
165.02029	1.5
171.04608	0.9
173.06081	5.8
177.05595	17.0
178.99854	6.9
187.07617	0.8
191.07274	0.9
197.06213	1.2
199.07675	2.8
201.05594	10.6
213.05621	1.2
215.07182	5.8
219.06627	2.1
225.05515	1.0
227.12920	3.2
241.05130	2.5
243.06639	13.6
244.06938	1.7
257.08218	1.3
259.06131	71.7
260.06519	6.0
269.04709	2.7
273.64261	0.8
287.05655	50.6
287.08951	2.6
287.15002	3.7
287.18192	1.0
288.06049	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	286.085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
60.73287	0.3
61.98840	0.7
65.00328	0.7
67.01907	0.5
71.01379	0.7
80.02724	0.4
82.00631	0.3
83.01392	0.4
93.03458	0.7
95.01404	1.7
98.19873	0.8
108.02186	8.9
109.03026	0.5
111.00903	1.3
121.02961	0.7
122.03715	0.4
123.00892	1.2
123.04524	2.9
124.01738	0.3
125.02491	0.4
133.02995	0.8
135.00916	0.3
135.04546	0.5
135.91675	0.3
136.01674	17.3
137.02071	0.4
139.00346	0.4
143.08698	0.4
150.03226	3.6
151.00464	1.5
151.04022	40.5
152.04327	1.1
153.07126	0.7
154.02783	0.3
155.08699	1.8
156.05800	0.7
157.06601	0.9
162.60124	0.3
165.05565	1.4
165.06850	0.4
169.05280	0.4
169.06610	1.5
171.08189	3.8
180.00653	11.9
181.01038	0.4
181.06601	4.0
182.07318	0.4
183.08180	7.0
184.08556	0.5
185.06206	0.5
187.07558	0.6
195.03001	100.0
196.03365	3.5
197.06070	1.4
199.07643	5.8
208.05368	0.4
209.06078	1.9
211.04002	0.9
211.07704	0.4
213.09256	0.5
215.15723	0.4
223.07722	0.6
225.05571	3.4
226.06374	52.2
227.07133	42.2
228.07484	2.6
239.07172	1.1
240.08035	0.6
241.08719	36.5
242.09035	2.7
253.05058	4.3
257.08167	0.6
268.03259	0.4
270.31760	0.4
271.06137	38.0
272.06387	2.2
285.07846	0.9
286.04553	2.9
286.08490	25.7
287.08914	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	285.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01385	15.6
63.02389	4.5
65.00330	2.0
69.22546	7.7
71.82334	0.9
74.57385	0.8
83.01392	1.6
86.99856	0.8
91.01888	1.8
93.03476	2.0
107.01393	3.7
109.02965	1.3
121.02959	2.0
133.02979	10.0
135.00929	1.9
137.02444	3.5
137.73955	0.8
147.04466	1.2
148.01707	0.8
149.02458	3.3
151.00365	3.4
171.04564	1.6
175.03996	2.8
185.06024	1.5
187.04234	0.9
198.03209	0.9
199.04002	2.6
201.01749	0.9
211.03993	1.1
213.05598	1.7
215.03392	0.8
217.05034	1.7
223.13319	1.1
229.05107	2.9
239.03465	1.1
241.05034	1.5
241.09898	1.0
243.02798	0.9
257.04651	4.4
285.04056	100.0
285.17084	2.9
286.04315	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	285.15
Annotation	2-Hydroxyestrone
Peak:m/z	Relative Intensity
56.37774	0.4
59.63306	0.5
65.00328	0.5
70.44576	0.9
70.89167	0.4
97.78370	0.4
107.01421	0.5
129.07121	0.9
133.02972	1.2
135.04527	0.7
148.01662	0.7
151.00317	0.6
157.06584	2.3
161.02415	1.0
162.03256	0.9
171.08176	11.3
173.06099	1.0
174.06895	3.4
175.04004	2.0
185.06107	2.3
187.07645	1.2
188.08380	1.9
200.04893	0.5
200.16748	0.5
201.05597	2.7
202.06270	0.9
203.07048	0.7
213.05544	1.6
215.07133	17.1
216.07869	5.0
255.05685	1.4
257.15509	10.5
285.04221	7.0
285.14981	100.0
286.15317	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	285.15
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
59.01385	2.5
65.00333	0.8
69.66460	2.7
78.95906	0.6
92.42572	0.4
98.20612	1.0
107.01427	1.0
107.05046	2.5
109.02945	0.5
122.03797	0.8
133.02991	7.3
134.02234	0.6
134.03763	24.8
135.04544	27.3
137.55466	0.5
146.03738	0.5
147.04509	1.1
148.01700	1.1
148.05324	4.4
149.02383	0.9
151.00389	2.8
161.02463	35.6
162.02971	1.5
163.03983	2.0
173.02402	2.9
173.06053	2.4
174.03185	0.7
175.03992	3.2
175.07660	1.0
187.07687	1.0
188.08409	7.6
199.04086	1.3
201.02029	0.6
201.05676	1.4
202.10022	0.5
203.02330	1.1
204.12456	0.8
205.70641	0.5
213.05643	0.5
215.07083	1.0
239.23886	0.8
241.05070	1.2
242.13130	2.0
257.15488	26.0
258.15860	1.6
270.05228	0.8
284.26730	0.7
285.04108	28.7
285.07666	2.0
285.14984	100.0
285.24323	40.7
285.26871	1.9
286.04480	2.4
286.15353	7.7
286.24765	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	285.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52820	0.4
59.99773	0.4
61.83512	0.4
63.29506	0.4
65.00353	0.5
71.14334	0.9
96.09754	0.4
107.05040	26.5
108.05360	1.1
109.02953	0.9
133.02959	1.5
134.03757	0.5
135.04538	70.9
136.04883	2.1
149.02461	0.7
149.06041	0.5
151.00368	0.7
165.05569	0.9
195.18513	0.4
225.09215	10.1
226.10002	70.6
227.10297	4.6
241.12357	74.0
242.10347	0.7
242.12677	5.0
257.08243	0.5
258.08994	0.7
270.08997	0.9
285.04440	8.1
285.11337	100.0
286.11682	7.8
289.24762	0.5
307.59637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0772
Annotation	Nissicarpin
Peak:m/z	Relative Intensity
59.01397	0.7
65.00338	1.2
69.37257	3.6
83.01424	1.0
91.01913	2.5
95.01420	1.5
107.01422	1.2
108.02228	1.9
109.02954	0.5
110.83530	0.4
122.03798	0.5
122.99216	0.5
125.02481	0.5
133.02977	5.0
135.00917	3.2
135.04547	0.9
145.02983	0.5
149.02521	0.5
151.00423	2.1
151.04037	1.2
153.01991	0.9
171.04572	1.6
171.08171	0.8
175.04099	1.0
175.07744	0.8
182.03795	0.5
183.04605	1.8
185.02475	0.9
187.04037	1.3
192.96152	0.5
199.04030	4.6
199.07712	1.7
201.05504	0.5
210.03249	1.4
211.04045	3.2
213.09218	3.0
214.06377	1.2
215.03522	1.8
217.05080	0.5
225.05447	0.9
226.02737	32.2
227.03485	10.2
228.04044	0.6
241.05093	100.0
242.05704	11.7
243.06255	0.6
255.03021	1.1
257.08218	97.4
258.08582	5.6
259.09778	0.7
270.05118	1.1
284.26758	1.7
285.04071	26.0
285.07684	28.3
285.20715	1.2
285.27045	1.4
286.04431	2.0
286.08038	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0772
Annotation	Scorzocreticin
Peak:m/z	Relative Intensity
52.49204	0.6
59.01112	0.7
59.01378	3.3
61.98845	1.1
63.02392	1.5
65.00333	1.9
68.99798	3.1
69.20397	5.5
69.37513	0.5
75.73122	0.5
78.95920	1.9
81.03452	2.9
82.55334	0.6
83.01392	2.0
83.05050	0.7
86.33775	0.6
91.01913	5.8
93.03475	1.9
95.01402	0.9
96.43427	0.6
96.96026	1.0
97.90017	0.7
107.01395	2.6
107.05002	0.7
108.02190	4.9
109.02964	1.6
121.03001	0.7
122.03751	31.9
123.00888	0.9
123.04051	0.9
125.02453	4.9
133.02968	11.8
133.03914	1.1
135.04526	1.0
136.01692	1.2
137.02452	5.0
148.01688	0.7
149.02426	0.9
150.03244	8.1
151.00386	3.9
151.03995	1.0
152.91769	1.0
153.01956	0.9
154.02812	0.6
156.05814	1.0
157.37489	0.5
161.02516	0.8
165.01912	1.5
169.06580	5.6
169.10201	3.1
171.08163	14.6
174.03180	0.9
175.04033	3.3
179.03476	0.8
182.02222	4.9
185.06117	0.6
195.08191	1.9
197.05983	0.6
199.04056	3.2
201.02014	1.3
203.02344	1.7
213.09224	79.0
214.09576	4.9
217.05173	1.5
229.04999	1.0
239.07144	11.2
241.08722	74.3
242.02258	0.8
242.09088	4.7
243.03049	0.9
255.02963	0.7
257.04770	1.4
267.06720	0.8
269.60483	0.7
270.04980	1.4
284.26611	3.4
285.04095	59.8
285.07697	100.0
285.20731	2.4
285.27148	2.2
286.04456	4.5
286.08066	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	285.0773
Annotation	Brazilin
Peak:m/z	Relative Intensity
59.01395	0.9
63.02378	0.5
65.00330	1.5
67.17296	0.5
71.55359	0.8
76.14560	0.6
82.70865	0.5
83.01403	1.4
91.01915	0.7
93.03475	0.6
95.01395	1.5
105.03473	2.4
107.01398	3.9
108.02185	2.7
109.02966	5.3
121.03012	2.5
123.00877	1.7
123.04539	1.0
124.01696	1.0
132.02170	2.5
133.02969	21.2
134.03311	0.9
135.00905	1.3
136.01685	8.3
137.02443	1.9
143.05042	1.4
147.04500	1.2
148.01703	1.1
149.02458	4.0
150.45644	0.5
151.00398	6.0
151.03995	0.7
159.04578	0.7
160.01703	3.2
161.02457	35.5
171.04553	2.1
172.05243	1.4
173.06161	0.8
175.04030	2.4
177.43816	0.5
183.04521	0.6
185.06108	3.0
186.06873	1.0
187.04022	0.7
189.05592	0.6
196.05244	1.5
197.06075	1.6
198.03214	1.0
199.04012	5.5
200.04796	0.9
201.01988	1.1
201.05617	0.7
208.05478	0.6
209.06032	0.9
211.04086	2.1
211.13437	2.5
213.01921	1.3
213.05585	4.0
214.06349	1.6
217.05119	2.0
223.04143	0.8
223.07649	1.2
224.04782	3.9
225.05637	4.2
226.06319	2.0
227.03609	3.2
229.04948	1.5
239.07152	0.7
240.04225	1.0
241.05043	4.3
242.05833	2.4
243.03003	1.2
251.03181	0.7
252.04340	2.3
253.05086	5.8
255.02953	5.1
257.04205	0.6
267.06689	3.1
269.04590	3.2
270.05347	100.0
271.05698	6.3
284.26813	2.6
285.04080	73.1
285.07703	80.4
285.17078	1.8
285.20627	1.9
285.27081	1.2
286.04407	5.6
286.08032	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0773
Annotation	Scorzocreticin
Peak:m/z	Relative Intensity
54.85979	0.6
59.01389	1.3
63.02395	1.8
65.00316	1.3
68.03100	0.6
68.99819	1.6
69.56900	1.2
69.57307	2.3
72.78392	0.6
77.39671	0.7
81.03462	3.7
82.28656	0.6
83.01414	1.3
86.96318	0.7
87.83182	0.5
91.01902	4.9
93.03458	1.3
95.01366	0.7
96.95965	0.8
98.20618	1.4
107.01433	0.9
107.47980	0.6
108.02203	3.6
109.02985	0.8
111.00911	0.6
118.74772	0.6
122.03746	30.7
123.00879	1.2
123.04056	1.3
125.02442	3.8
133.02951	7.5
135.04459	0.9
136.01688	1.0
137.02452	3.6
150.03252	6.5
151.00360	2.2
152.91814	0.8
153.01967	0.8
154.02765	0.6
156.05846	0.8
165.01950	1.8
168.49597	0.7
169.06580	2.7
169.10197	3.7
171.08170	13.2
175.04007	1.1
175.07416	0.6
182.02197	3.8
191.07176	1.1
195.08171	0.8
199.04005	1.4
213.09227	66.5
214.09599	4.3
227.04956	1.1
239.07144	10.0
240.07428	0.8
241.08716	66.8
242.09024	4.9
257.08249	0.8
270.05231	1.4
280.68561	0.8
284.26825	2.9
285.04095	29.8
285.07681	100.0
285.20648	2.1
285.27075	1.3
286.04559	1.7
286.08011	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60670	0.4
53.58135	0.5
55.92620	0.5
56.79123	0.5
59.01379	1.7
60.45610	0.5
63.02415	0.7
65.00333	16.1
70.02346	1.2
70.02742	1.2
78.95915	2.1
83.01398	2.2
89.00341	3.4
91.01906	3.3
93.03471	19.6
96.96059	0.7
97.02966	10.0
101.86491	0.6
107.01391	3.3
107.05028	0.6
108.02200	1.7
110.00121	1.5
116.42929	0.5
118.78384	0.5
119.05039	100.0
120.05390	2.9
121.02979	5.7
133.02979	10.7
133.03928	0.4
135.04463	0.9
136.01743	0.6
137.99590	0.9
143.04974	0.8
144.10489	0.5
145.03012	1.6
147.04489	1.1
149.02483	1.8
149.99602	5.0
151.00386	4.3
152.91786	0.8
164.01154	2.2
165.01950	62.4
165.99077	0.9
166.02332	1.8
169.06705	0.9
171.04498	0.9
175.04010	2.1
175.07683	1.9
179.03537	1.7
187.03973	0.9
191.03523	1.8
196.00162	1.2
198.03223	0.7
199.04041	2.1
213.09158	1.0
215.03722	0.6
217.05132	1.4
222.86497	0.6
241.05081	1.3
241.08835	1.6
242.05975	0.8
252.04378	0.8
255.03040	1.6
269.04544	1.5
269.08078	0.7
270.02408	0.8
270.05267	4.1
284.26749	2.6
285.04114	45.0
285.07724	54.8
285.20813	1.9
285.27136	1.5
286.04440	3.9
286.08005	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0771
Annotation	3'-Hydroxydihydroformononetin
Peak:m/z	Relative Intensity
63.02417	0.6
64.17961	0.6
65.00335	2.2
69.29814	0.7
69.81158	3.0
75.90334	0.5
78.95910	29.3
79.42786	0.5
83.01387	1.6
91.01904	29.4
93.03476	0.8
95.01394	2.7
97.21035	0.6
98.20592	0.7
106.04299	0.9
107.01429	1.9
108.02197	6.7
110.00075	0.7
121.02960	5.4
123.00961	0.7
133.02968	12.3
134.03755	80.3
135.00896	49.9
135.04565	4.5
136.01251	1.5
148.01678	23.3
149.02438	2.6
149.06094	29.8
150.06432	0.9
151.00340	4.4
153.01958	16.5
155.74770	0.6
160.01604	0.6
161.02458	2.9
163.04016	1.7
174.03175	0.8
175.04021	2.6
180.00661	14.0
181.01132	0.7
197.06113	0.7
198.03059	0.8
199.04042	2.4
200.04755	1.1
201.01968	1.0
203.04579	0.6
211.04100	0.7
217.05089	1.2
220.59433	0.6
222.68381	0.6
226.06360	1.7
227.03419	1.4
228.04218	0.7
241.05104	1.5
241.08629	1.1
243.06685	1.5
253.05138	0.6
255.06580	1.0
269.04599	5.3
270.02219	1.0
270.05353	17.0
270.08463	1.1
271.05737	1.1
284.26871	1.0
285.04123	44.1
285.07727	100.0
285.12747	2.5
286.04434	3.6
286.08072	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.7
57.03448	0.4
59.01386	1.4
64.61388	0.4
71.01395	1.7
71.46279	0.6
72.00936	0.7
72.99303	0.8
73.02940	0.5
74.02482	0.7
75.00887	2.7
78.03915	0.3
83.01447	0.5
83.05012	0.4
85.02955	0.8
87.00877	0.8
89.02439	0.8
93.03467	44.1
94.03812	0.7
101.02475	0.7
107.05022	0.4
109.02982	1.1
110.02450	0.4
116.05069	2.7
117.72220	0.3
118.96352	0.4
123.04531	3.5
124.04032	0.8
129.01941	2.1
130.06635	0.7
137.02460	100.0
138.02795	3.4
142.06633	0.8
147.03020	3.5
149.04527	0.3
149.65865	0.4
153.01988	0.9
156.01228	0.5
165.04054	6.6
174.68143	0.4
177.68108	0.4
178.06398	0.3
179.03427	0.6
181.22092	0.4
203.08305	4.1
209.08202	0.6
225.06464	2.9
238.30852	0.4
284.26807	1.9
285.03973	1.5
285.06250	2.3
285.09772	1.8
285.12866	0.6
285.27155	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	285.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.3
62.43195	0.4
63.02404	3.9
65.00324	3.1
68.56093	0.4
69.20126	3.8
78.32121	0.4
78.95916	0.5
79.38245	0.4
80.75667	0.4
81.34562	0.3
83.01405	3.5
91.01897	0.6
107.01404	7.4
107.05041	0.8
108.02218	0.5
109.02959	0.9
132.02194	0.8
133.02979	8.7
134.03830	1.8
135.04541	100.0
136.01666	1.0
136.04880	3.2
137.02472	0.6
148.01685	0.4
149.02489	1.5
149.99628	0.7
151.00383	15.5
152.00687	0.4
161.02435	2.8
164.01189	0.9
169.01425	1.3
170.06982	0.5
175.04048	1.8
177.01956	0.5
185.06029	0.5
186.06502	0.7
196.00162	0.4
197.05989	0.7
198.03242	1.0
198.06393	0.7
199.03807	3.0
200.04337	0.6
201.02034	0.5
203.02226	0.5
204.12474	0.4
211.04031	0.5
213.05537	0.8
214.02827	0.5
214.06035	2.5
217.04904	0.4
224.04590	1.3
225.05426	0.6
226.02583	0.5
226.06067	0.5
227.03304	0.9
241.05058	2.0
242.02106	0.6
242.05591	1.8
252.04176	1.1
253.04886	0.7
255.02902	3.1
267.06656	1.2
269.04523	1.2
270.05237	24.3
271.05624	1.4
277.33578	0.4
284.26645	0.4
285.04120	30.8
285.07672	66.0
285.20578	2.4
286.04477	2.3
286.08026	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	285.0408
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.02401	1.2
65.00327	1.5
65.03957	0.8
65.28577	0.2
67.01889	0.4
70.00549	0.9
76.49953	0.2
83.01401	1.1
91.01915	0.3
93.03469	2.6
95.01417	0.6
98.20018	0.3
107.01400	2.9
108.02185	0.7
109.02967	10.3
112.21722	0.2
117.03463	0.5
119.01395	0.4
119.04990	0.2
121.03002	0.4
121.73424	0.2
123.00919	0.5
123.04494	0.4
125.02402	0.3
130.04263	0.4
131.05121	0.3
132.02263	0.2
133.01941	0.3
133.02969	5.7
135.00899	0.8
136.01668	0.4
137.02443	0.8
141.07092	0.2
143.05070	1.3
145.02942	1.0
148.01732	0.2
149.02455	0.5
151.00385	3.3
152.00616	0.3
152.45378	0.2
154.04231	0.8
155.05051	0.6
156.05823	0.4
157.02942	0.4
157.06596	0.7
158.03717	0.3
159.04538	1.2
161.02443	0.6
163.00388	0.6
164.01146	0.6
167.05023	0.6
169.01445	0.2
169.06653	1.2
171.04495	1.3
173.02467	0.5
173.06075	0.4
174.03175	0.2
175.04048	1.0
183.04491	0.5
184.05293	0.3
185.06102	1.9
187.03981	1.6
195.04599	0.4
196.05171	0.2
197.06129	0.3
198.03320	0.3
199.03999	1.3
201.01938	0.5
201.05675	0.5
211.04057	1.4
211.13274	0.2
213.05566	1.2
213.09227	0.6
214.02747	1.1
215.03450	0.6
217.05069	0.5
219.03044	0.5
227.03487	0.6
229.05006	1.6
239.03415	1.3
240.04166	0.7
241.05115	0.7
241.08720	0.8
242.02069	0.4
243.02965	0.8
255.02960	0.5
256.03760	0.2
257.04562	1.3
257.08084	0.3
267.02893	0.4
268.03711	0.3
270.05191	0.4
284.26880	0.3
285.04080	100.0
286.04437	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	285.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22612	0.2
56.76416	0.2
59.10500	0.2
63.02400	2.0
65.00324	1.3
69.46220	0.2
69.56895	0.6
69.57304	0.7
76.55237	0.2
83.01392	1.1
91.01895	0.9
93.03500	0.5
107.01402	1.8
108.02182	0.4
109.02971	0.4
119.05039	0.4
121.02988	0.5
123.04522	0.6
132.02142	0.3
133.02972	2.9
135.00882	0.8
135.04478	0.3
139.04042	0.5
140.90540	0.2
143.05037	0.6
145.02946	0.4
147.04559	0.5
148.01683	1.1
149.02457	3.4
151.00414	1.6
151.04031	0.7
157.06587	0.5
159.04509	0.4
161.06178	0.3
167.05009	0.6
169.02971	0.3
169.06670	0.6
171.04521	0.7
173.02457	0.5
173.06133	0.5
175.04022	1.5
176.01189	0.9
177.01939	1.4
180.05809	0.3
183.04547	0.9
185.06067	2.1
186.03264	0.2
187.04019	0.7
189.05515	0.7
195.04495	0.5
196.05295	0.7
197.02464	0.3
197.06017	0.4
198.03250	0.6
199.03995	1.0
201.01994	0.2
201.05534	0.3
211.04025	1.4
212.04762	0.8
213.05605	1.6
214.02710	0.5
215.03542	0.9
217.05095	1.2
227.03528	2.5
229.05075	5.3
230.05411	0.5
239.03513	1.0
240.04274	0.9
241.05055	1.0
242.02217	1.6
243.02921	0.7
255.03026	2.9
256.03723	1.0
257.04587	7.2
258.04962	0.6
267.02896	0.5
268.03708	0.4
270.05237	2.2
283.02509	0.9
284.03256	0.5
284.26862	0.4
285.04068	100.0
286.04431	7.7
286.07715	0.3
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	Unknow
Peak:m/z	Relative Intensity
50.93217	0.2
52.04998	0.2
53.36791	0.2
60.81023	0.2
63.02395	1.1
65.00328	4.2
69.18156	0.2
69.19280	2.1
80.50333	0.2
80.82624	0.2
83.01396	2.1
88.15162	0.2
93.03509	0.2
105.03468	1.0
107.01403	6.6
107.24084	0.2
108.01761	0.2
121.02965	1.3
130.04245	0.2
132.02243	0.6
133.02966	36.9
134.03320	1.3
135.04549	0.3
138.34396	0.2
143.05066	0.6
145.02956	0.3
147.04488	0.4
149.02448	4.6
151.00375	10.3
152.00705	0.3
169.06528	0.3
171.04594	1.0
173.06085	0.3
174.03285	0.3
175.04015	6.2
176.04350	0.2
185.06071	0.8
187.03955	0.4
189.05556	0.4
195.04478	0.4
197.06125	0.5
198.03264	0.6
199.04028	4.5
201.01924	1.8
211.04041	0.6
212.04855	0.4
213.05574	0.8
214.02640	0.3
215.03471	0.7
217.05031	2.8
223.04001	0.7
226.02832	0.3
229.05011	0.4
240.04292	0.3
241.05040	1.8
242.02287	0.2
243.03069	1.1
257.04587	0.7
267.03024	0.5
285.04068	100.0
286.04410	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	284.0696
Annotation	ponciretin
Peak:m/z	Relative Intensity
65.00327	0.2
65.03968	0.1
67.27910	0.1
68.99825	0.2
69.10325	0.2
71.55141	0.2
89.04000	0.2
91.01895	0.2
93.03461	0.3
95.01399	1.0
105.03484	0.2
107.01405	0.6
108.02242	0.2
109.02960	5.0
109.03709	0.3
115.05536	0.3
117.03484	0.2
119.01379	0.1
121.02959	0.5
123.00882	1.1
123.04520	0.4
129.07152	0.2
132.02203	1.4
133.02975	5.4
141.07108	2.1
143.05046	1.3
145.02975	0.5
145.06625	0.3
147.04572	0.2
149.02460	0.4
151.00400	0.6
151.05418	0.2
151.87738	0.1
153.07112	0.5
154.04224	0.3
155.05092	0.7
156.05838	0.2
157.06589	1.8
158.03722	0.5
159.04495	0.3
159.08073	0.2
160.01675	3.1
161.02451	1.1
167.05055	0.9
168.05701	0.2
169.06599	5.2
169.08029	0.3
170.03761	0.6
170.06924	0.4
171.04527	3.0
173.02390	0.2
173.06090	0.3
174.03230	0.1
175.04001	0.5
179.05034	0.3
180.05806	0.7
181.06624	0.7
182.03757	1.5
183.04506	1.5
184.05273	0.5
184.72235	0.2
185.06087	9.4
186.03229	0.4
186.06432	0.5
187.04002	0.2
195.04491	2.6
196.05261	1.8
197.06090	8.6
198.03235	17.4
198.06323	0.6
199.03967	3.8
200.04375	0.2
201.01889	0.2
201.05615	1.7
207.04512	0.2
210.03220	0.5
211.04089	0.7
212.04733	1.2
213.05579	24.4
214.05959	1.8
217.05042	0.3
223.04007	5.6
224.04779	1.6
225.05573	4.1
226.02736	8.4
227.03448	1.6
229.05031	0.1
239.03372	0.2
240.04250	1.8
241.05077	16.8
242.02342	0.2
242.05440	1.2
250.02640	0.2
251.03491	5.5
252.04253	2.0
254.02222	12.3
255.02649	0.9
255.06657	0.2
256.03354	0.4
266.05823	0.5
267.02960	0.1
267.06573	0.3
268.03702	1.3
269.04553	93.0
270.01868	0.4
270.04877	6.6
283.06018	0.3
283.26566	1.1
284.06900	100.0
284.26706	1.2
285.04050	9.2
285.07291	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	283.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13847	1.0
55.01886	2.5
57.03451	2.0
58.00589	3.9
58.99608	1.4
59.01385	93.4
60.01715	1.5
70.02322	1.7
70.02699	2.0
71.01389	62.3
72.01692	1.5
72.99304	4.3
73.02952	9.4
81.03457	1.1
83.01414	6.6
83.06134	1.7
85.02965	16.6
87.00883	4.3
89.02453	65.0
95.01405	5.5
99.00881	3.1
101.02452	47.2
102.98603	2.5
108.02054	8.1
108.93752	3.2
111.00884	3.4
113.02464	25.4
113.07208	8.9
115.51828	1.3
118.32137	1.2
119.03510	30.1
121.02921	1.6
121.05080	26.1
124.04031	1.2
125.02437	1.5
127.05087	1.7
129.01958	1.6
131.03528	2.6
133.03001	1.3
137.02469	1.3
137.03627	1.8
143.03526	8.1
149.04578	2.6
149.06105	1.1
151.02632	62.3
151.06134	2.4
159.03056	2.4
161.04572	19.6
167.03448	1.4
179.05652	13.2
179.07054	1.9
180.11424	10.8
187.02551	1.4
187.55687	1.1
198.12502	11.2
221.07939	1.5
222.96907	3.4
223.08255	5.4
224.10435	1.7
255.06714	1.7
266.11438	6.3
268.03790	2.7
268.86765	1.1
283.06604	12.8
283.10358	30.2
283.26450	100.0
284.12769	11.2
284.26819	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	283.1707
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01381	2.9
70.73956	0.3
71.01378	0.7
89.02425	0.3
95.26590	0.3
98.20708	0.6
101.02435	0.4
106.04256	0.3
107.05040	100.0
108.05360	3.1
108.09161	0.3
117.03440	0.3
135.00943	0.4
147.08141	0.5
163.11301	93.6
164.11609	4.0
183.04558	0.4
201.02548	1.6
211.03984	0.4
212.04517	0.4
224.18143	0.3
239.03340	0.3
253.05092	0.4
255.02945	1.1
268.03659	2.6
283.02582	1.2
283.06116	3.1
283.17059	81.3
283.22913	3.0
283.26398	40.0
284.17371	7.0
284.26770	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	283.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01606	0.6
59.01401	2.8
70.55504	1.1
70.55844	1.2
71.01411	0.7
73.86822	0.6
80.02713	0.7
97.28778	0.6
108.02186	4.2
109.52147	0.6
117.03471	4.4
123.04469	0.7
127.88464	0.7
133.02957	0.9
135.00925	2.7
136.01640	1.3
160.01743	0.7
161.02466	3.1
169.06578	0.8
180.05858	0.8
181.06615	1.0
183.04567	1.4
197.06053	5.6
201.02545	2.1
208.05327	2.8
209.06067	7.0
211.03993	6.0
224.04742	1.7
225.05569	15.0
228.92509	0.6
235.04073	0.7
236.04733	0.9
239.07120	2.7
240.07867	1.0
251.06992	0.9
252.04301	12.7
253.05075	100.0
254.05417	6.3
255.03075	1.2
267.06644	20.0
268.03726	2.4
268.07303	8.9
269.07669	1.1
283.06281	4.8
283.09769	95.5
283.26447	29.1
284.10098	8.6
284.26843	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	283.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
58.00599	3.1
59.01385	100.0
71.01389	58.8
71.43543	1.7
71.52942	1.8
71.53318	3.0
72.99300	4.1
73.02959	9.8
83.01411	3.5
85.02967	14.0
87.00887	5.1
89.02453	62.5
95.01385	5.2
101.02457	45.1
108.93742	3.5
111.08804	1.5
113.02465	21.2
119.03511	24.4
121.05080	27.0
128.65276	1.6
131.02513	1.8
131.03455	4.0
131.96490	1.7
133.05051	5.7
134.05495	1.7
135.05479	2.5
137.03566	1.9
143.03526	4.5
149.04558	2.4
161.04591	21.1
167.88432	1.9
179.05627	10.8
181.60661	1.8
222.96967	2.4
223.08218	5.7
241.09814	1.9
283.10388	31.2
283.26392	5.2
303.80811	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	283.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54710	0.4
56.52932	0.4
59.01380	10.0
69.51234	3.5
71.01403	1.6
73.02969	0.6
79.95752	0.7
85.03009	0.6
89.02464	1.3
92.61352	0.5
93.03492	0.7
95.01448	0.7
101.02481	1.2
107.01516	0.6
108.02199	0.9
113.02454	0.6
117.03510	0.9
118.94285	0.6
120.69276	0.5
121.02934	0.6
121.05112	0.7
123.04597	0.5
131.85878	0.5
132.02190	0.7
133.02948	0.8
135.00932	1.2
135.04568	1.0
141.03506	0.6
146.38116	0.6
147.04634	0.7
148.01704	2.0
149.02405	0.5
155.05034	1.8
161.02443	0.5
163.04007	1.9
167.05069	3.0
169.06590	8.8
171.04570	1.3
182.03839	0.9
183.04486	2.1
195.04553	0.8
196.05174	0.7
197.06143	1.8
199.04027	0.9
200.94479	0.7
201.02586	5.1
210.03116	0.6
211.03996	4.3
211.07674	3.2
212.04808	1.3
213.05583	0.6
216.28432	0.6
219.13895	2.2
223.03918	1.0
224.04791	2.6
225.05576	41.3
226.02759	0.9
226.05959	2.2
227.03482	1.9
239.03499	2.7
239.07080	2.8
240.04156	2.1
253.05077	100.0
254.05426	7.9
255.00502	0.8
255.03033	9.1
255.06647	1.9
256.03674	1.4
267.03067	1.4
267.06567	0.5
268.03809	14.1
268.07416	44.7
269.04373	1.6
269.07773	3.4
270.40442	0.5
283.02524	11.6
283.06122	23.0
283.09891	22.9
283.19443	1.9
283.26431	92.2
284.03116	1.4
284.06680	2.4
284.10178	1.5
284.26791	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	283.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35403	4.3
85.41328	0.5
88.49512	0.5
91.01906	1.9
108.02199	1.1
128.37680	0.5
132.02187	0.5
135.00912	4.9
138.05901	0.6
143.05049	0.6
148.01671	5.4
156.05827	0.9
160.01727	0.8
167.05038	0.6
183.04543	1.2
184.05310	5.7
195.04471	2.6
196.05330	2.5
211.04012	18.7
212.04648	2.3
223.04025	1.9
224.04689	2.8
236.06174	0.5
239.03513	11.0
240.04237	6.7
251.03557	0.8
255.02998	0.8
267.02969	4.5
268.03787	100.0
269.04169	6.0
283.06143	63.0
283.26477	4.1
284.03702	0.8
284.06442	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	283.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02628	2.2
91.02003	2.4
108.02258	0.7
113.46497	0.4
121.94603	0.5
132.02272	0.7
135.00888	5.8
143.05167	0.6
148.01671	6.3
153.02028	0.7
156.05899	0.7
159.04570	0.8
171.04633	1.0
182.03955	0.8
183.04602	1.9
184.05298	6.2
184.06709	0.6
195.04555	2.8
196.05351	2.0
198.03285	0.6
211.04019	20.1
212.04698	2.4
223.03972	2.4
224.04770	2.9
225.05130	0.6
227.03572	1.6
239.03502	9.5
240.04282	6.1
251.03516	0.9
255.03000	12.8
256.03336	0.8
267.03012	5.0
268.03781	100.0
269.04105	7.2
283.02600	5.1
283.06116	65.6
283.08591	0.5
283.26392	2.6
284.03430	0.8
284.06488	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	283.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81404	0.6
59.01110	0.8
59.01382	8.7
60.83976	0.5
62.13171	0.5
69.75096	2.1
69.75500	1.0
71.58729	0.5
72.00690	0.6
89.02419	0.9
95.01411	0.7
98.20634	1.0
108.02168	0.6
109.02967	0.5
117.03458	0.8
131.01401	1.7
132.02174	5.7
133.02945	1.2
134.43826	0.5
140.33778	0.6
143.05074	0.7
147.00954	0.7
156.05797	0.8
167.04987	4.1
169.06577	1.7
171.04559	1.1
172.35049	0.7
175.00381	3.3
183.04521	2.0
184.05316	2.7
185.06053	1.0
195.04523	8.0
196.05241	2.7
197.06078	1.0
198.03264	1.8
199.04057	1.5
201.02580	5.0
206.13966	0.5
211.04007	6.0
211.07599	5.4
212.04774	8.1
213.05513	2.7
223.04031	8.1
223.13467	0.7
224.04781	17.5
225.05392	1.8
226.02698	0.9
227.03523	2.3
228.04291	0.7
239.03500	11.7
239.07104	4.5
240.04228	8.8
241.04955	2.0
251.03487	3.1
253.08795	0.6
254.02235	1.3
254.05759	0.9
255.02997	5.8
255.06647	1.2
256.03757	4.4
267.02997	8.8
268.03775	55.3
269.04492	12.4
283.06125	100.0
283.26431	34.9
284.06772	17.0
284.26770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0614
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
59.01463	0.3
60.33759	0.2
63.02491	0.4
65.00127	0.2
65.00417	0.4
83.01508	0.2
91.02015	0.9
98.19906	0.6
102.67207	0.2
107.01537	0.7
117.03564	0.2
119.01412	1.4
121.02975	1.0
132.02179	5.3
134.03865	0.3
135.00891	2.4
145.03055	0.3
151.00378	1.1
153.02040	0.3
154.04398	0.5
155.05122	0.3
158.03819	0.2
167.05141	0.6
171.04617	0.4
178.10927	0.2
180.05907	0.5
182.03841	0.3
183.04530	1.3
184.05183	1.0
185.02614	0.3
187.03992	0.2
195.04530	2.0
196.05312	1.5
198.03310	0.5
199.04054	0.7
211.04021	7.3
212.04753	2.8
223.04012	3.7
224.04787	3.6
225.05168	0.4
226.02762	2.7
227.03560	1.0
239.03510	14.1
240.04233	5.4
241.04669	0.3
255.03011	18.4
256.03506	1.6
267.03006	16.6
268.03769	94.0
269.04129	7.3
269.07153	0.3
283.02600	9.5
283.06100	100.0
283.26398	2.5
284.03152	3.3
284.06482	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	283.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.6
68.16398	0.5
69.36164	2.4
69.36588	1.7
71.01411	0.6
81.40111	0.5
91.01900	2.8
98.19917	0.9
108.02182	1.1
119.68445	0.5
130.76767	0.6
132.02185	0.6
135.00893	6.8
135.04491	0.6
148.01685	5.6
156.05823	0.6
160.01584	0.9
183.04521	1.8
184.05339	6.6
195.04498	3.6
196.05333	2.6
211.04021	21.7
212.04697	3.6
213.02058	0.6
213.38040	0.5
223.03987	2.8
224.04730	2.9
239.03516	11.4
240.04314	7.5
251.03551	1.2
267.02945	5.2
268.03775	100.0
269.04114	6.9
283.06134	95.2
283.26514	1.7
284.06454	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	283.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20908	0.2
59.01397	0.4
69.24536	1.4
90.10105	0.2
91.01933	0.2
91.81209	0.2
98.00114	0.3
98.19881	0.5
103.01941	0.4
108.02187	0.5
117.03484	0.5
119.58578	0.2
126.67337	0.2
131.01395	2.2
132.02188	7.0
133.02559	0.3
135.00903	0.5
136.01669	0.4
147.00920	0.7
148.01657	0.4
149.02458	0.5
151.00330	0.2
156.05847	0.6
158.03740	0.3
167.05049	4.4
168.05725	0.7
171.04514	0.9
175.00369	3.8
182.03740	0.4
183.04527	2.5
184.05287	3.1
185.05571	0.2
193.01445	0.3
195.04509	8.2
196.05264	3.1
199.04047	0.4
200.04727	0.2
211.04005	4.3
212.04782	9.8
213.05138	0.4
223.04007	9.4
224.04794	24.1
225.05132	1.9
227.03526	1.2
227.07047	0.3
228.04277	0.7
232.07951	0.2
239.03510	11.5
239.07236	0.7
240.04239	6.7
241.04732	0.5
251.03564	2.2
255.02971	3.9
255.06589	0.5
256.03796	4.0
267.02997	8.5
268.03766	58.0
269.04126	4.1
283.06119	100.0
283.26419	5.0
284.06479	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	283.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.8
69.69507	3.0
71.01410	0.9
75.11994	0.4
75.50191	0.5
84.88927	0.5
89.02492	0.6
91.01929	0.8
93.51291	0.4
98.20702	0.5
113.02481	0.5
119.01428	1.2
121.02979	0.6
132.02200	1.4
135.00903	1.1
145.03081	0.6
159.04556	0.7
167.05055	1.7
170.03662	0.9
171.04498	0.9
172.05338	3.4
183.04494	1.7
184.05286	1.5
195.04538	4.0
196.05287	10.2
198.03264	1.7
199.03973	0.9
201.02586	0.6
211.04013	5.6
212.04726	4.5
223.04002	0.8
224.04811	2.3
227.03426	0.7
239.03520	5.2
239.16264	0.6
240.04292	100.0
241.04651	5.9
255.03006	22.0
255.06636	27.7
256.03415	1.4
256.07010	1.9
262.87921	0.5
267.02936	1.8
268.03781	28.9
269.04193	2.5
283.02551	12.1
283.06116	60.2
283.19357	1.1
283.26425	35.3
284.03372	1.0
284.06491	4.7
284.15219	0.5
284.26773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66527	0.4
59.01375	2.1
65.00339	0.9
65.03967	2.4
65.89176	0.5
67.01888	1.2
70.00956	1.1
70.01358	0.9
76.77725	0.5
80.02654	0.6
89.02471	0.5
89.03978	1.9
91.01905	1.4
93.03453	1.3
101.02441	0.7
108.02164	3.8
109.02962	11.7
115.05553	0.6
117.03465	2.2
121.02972	4.7
123.04536	0.7
123.68034	0.5
132.02164	1.6
132.05405	0.5
133.01956	0.5
133.02966	9.1
135.00876	1.8
137.02443	4.8
137.91611	0.5
141.07080	1.7
143.05019	1.4
143.08687	0.7
145.02966	6.3
146.03784	0.7
147.04520	0.7
157.06625	0.8
159.04562	1.0
161.02446	1.7
165.07066	1.0
167.05051	1.5
167.08702	1.3
169.06622	1.7
170.03757	0.5
171.04509	1.4
172.05284	0.8
173.02347	0.6
174.03323	0.9
181.06540	1.4
182.03766	0.7
182.81830	0.6
183.04474	1.5
183.08145	1.3
184.05156	0.9
185.06122	4.4
186.06702	0.8
187.03989	0.5
187.07661	1.9
193.06541	1.3
195.04416	1.5
196.05313	2.6
197.06024	1.0
198.03255	2.2
199.03952	1.2
208.05199	0.7
209.06084	5.4
210.06798	3.1
211.04048	3.8
211.07623	6.6
212.04721	1.9
213.05585	4.9
215.07091	0.8
224.04846	0.9
225.05614	2.4
226.06288	1.6
227.03465	0.7
227.07101	2.3
229.81815	0.5
236.04816	0.6
237.05611	3.7
239.03416	2.8
239.07153	2.2
240.04242	6.8
241.05048	1.0
253.05031	4.4
254.05861	29.6
255.03104	2.2
255.06619	35.5
256.06979	2.9
267.02914	0.6
268.03760	7.3
281.04666	1.0
282.05295	0.7
283.06122	100.0
283.26434	14.7
284.06473	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	283.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75251	0.5
51.31491	0.5
59.01351	0.6
65.00322	1.6
65.03969	1.6
66.10404	0.5
68.99812	0.5
89.03986	1.3
89.68333	0.6
91.01928	0.6
93.03474	0.6
108.02190	3.7
109.02969	6.3
116.54028	0.5
117.03468	1.2
121.02959	3.9
123.04541	0.8
131.20554	0.6
132.02197	2.0
133.02980	7.8
135.00793	0.9
137.02460	2.4
141.07085	1.9
143.04971	1.6
144.05931	0.6
145.02965	4.5
147.04480	0.6
159.04434	0.7
161.02510	1.1
165.07063	1.3
167.05016	2.3
167.08669	0.7
169.06644	1.3
171.04546	1.0
172.05408	0.6
174.03183	0.8
175.00395	0.6
180.05875	0.5
181.06569	1.1
183.04588	1.0
183.08165	1.3
184.05315	1.6
185.06015	2.5
186.06706	0.9
187.07645	1.1
193.06607	1.3
195.04594	3.1
196.05283	3.5
197.06038	1.5
198.03256	1.9
198.07047	0.7
200.04883	0.8
209.06082	4.8
210.06917	3.0
211.04034	5.9
211.07597	4.6
212.04713	3.6
213.05608	4.9
215.07121	1.3
221.47214	0.5
223.04028	2.7
224.04820	6.8
225.05583	2.4
226.06262	0.6
227.03534	0.7
227.07158	1.7
227.77353	0.5
237.05640	3.0
239.03491	6.9
239.07236	1.8
240.04283	8.0
241.04843	1.1
251.03627	0.8
253.05049	3.8
254.05879	24.3
255.03104	2.9
255.06625	25.1
256.03781	1.3
256.06891	0.9
267.02948	1.3
268.03781	20.1
268.06668	1.1
269.04184	1.5
281.04681	1.0
282.05487	0.7
283.06149	100.0
283.26456	8.7
284.03281	0.5
284.06415	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87565	0.3
59.01374	0.5
61.68727	0.3
61.98168	0.3
62.84198	0.3
68.85101	0.3
69.88596	1.5
72.58308	0.3
91.01897	0.8
98.20564	0.5
107.01435	0.4
116.62298	0.3
121.02966	0.6
132.02180	5.9
134.03714	0.4
135.00893	1.9
151.00340	0.8
154.04274	0.5
167.04985	0.8
168.05769	0.3
169.06580	0.6
175.13155	0.3
183.04530	0.5
184.05280	1.1
195.04581	1.7
196.05252	1.3
198.03256	0.5
199.04033	0.3
211.04021	7.2
211.07571	1.8
212.04800	2.3
223.04045	3.2
224.04802	3.6
226.02721	2.6
227.03293	0.5
239.03519	13.9
239.07040	1.4
240.04259	5.3
250.02684	0.3
251.03247	0.3
253.05055	0.8
255.02963	0.7
267.03000	15.9
268.03781	92.0
269.04129	6.9
283.06143	100.0
283.26395	4.8
284.06503	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	283.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84202	0.3
56.00970	0.3
56.27129	0.3
59.01378	1.7
60.81348	0.3
63.62967	0.3
65.00310	0.6
69.61703	1.8
88.04037	0.3
91.01904	46.2
92.02247	1.1
93.03465	0.4
96.97392	0.3
98.19974	0.4
107.01398	0.6
108.02193	0.9
117.03493	0.4
119.05035	0.6
121.02979	2.3
123.04588	0.4
132.02177	0.9
133.02989	1.0
135.00900	48.5
136.01254	1.4
149.02451	7.3
150.60045	0.3
153.01953	9.3
161.02444	3.0
162.03186	0.6
183.04556	0.6
195.04460	0.3
211.04044	1.0
212.04709	0.5
216.21808	0.4
224.04834	0.8
225.05476	0.4
227.03506	0.5
236.66821	0.3
239.03505	1.3
240.04283	0.9
255.03096	3.5
255.06461	1.4
267.03064	1.0
268.03778	5.1
269.04251	0.6
283.06134	100.0
283.26443	9.8
284.03412	0.4
284.06464	7.3
284.26776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0251
Annotation	7,10,12-Trihydroxycoumestan
Peak:m/z	Relative Intensity
53.45076	0.3
59.01158	0.3
59.01432	1.2
63.02465	1.6
65.00097	0.3
65.00388	1.0
69.91991	1.1
69.92406	0.6
79.96151	0.3
82.75158	0.3
83.01456	0.7
84.77504	0.3
91.01900	2.1
91.90826	0.3
93.03525	0.3
98.19988	0.5
102.39622	0.3
107.01381	1.9
117.03559	0.5
119.01392	8.2
120.01804	0.3
121.02956	4.3
127.05603	0.3
129.51770	0.3
132.02226	1.1
135.00891	2.4
141.03580	0.5
143.05101	0.8
145.03009	1.0
148.01697	1.6
150.03334	0.3
151.00394	4.6
155.05042	1.7
157.03017	0.4
158.03755	0.4
159.04607	1.4
167.05090	1.4
169.03012	1.1
171.04587	1.0
173.02461	0.4
182.03760	1.8
183.04515	5.1
184.05016	0.5
185.02472	2.0
187.04022	1.7
195.04544	1.1
196.05228	0.5
198.03262	1.0
199.04053	2.2
200.04979	0.4
210.03168	0.5
211.04031	4.7
212.04683	1.3
213.01906	0.5
223.04066	0.9
223.13377	0.6
224.04738	1.8
226.02780	0.7
227.03534	5.0
239.03571	2.6
240.03963	2.3
255.03009	100.0
256.03455	7.6
267.02988	2.4
268.03766	14.6
269.04031	0.8
275.34586	0.3
283.02481	46.1
283.06046	19.2
283.15359	0.6
283.23676	0.2
283.26416	11.3
284.03241	19.0
284.06378	1.6
299.57101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89018	0.5
58.02979	28.3
59.01382	5.4
69.25549	4.0
70.02988	2.0
71.01386	15.6
73.02991	0.5
75.21088	0.5
83.32072	0.5
86.06129	1.5
88.04048	100.0
89.04395	1.4
89.17316	0.4
91.01900	5.9
96.99324	2.8
98.20669	1.0
98.38506	0.4
103.12602	0.4
108.21400	0.4
109.05973	0.5
114.01994	3.7
115.00384	22.3
116.00666	0.5
117.03458	0.9
119.01398	0.4
121.02972	1.2
132.02171	1.2
132.03038	6.6
135.00909	7.4
148.01678	1.4
149.02429	0.7
153.01924	1.6
166.12375	9.0
167.05032	1.4
167.10803	25.4
168.11137	1.5
183.04559	2.2
184.05272	1.1
195.04544	3.1
196.05324	0.8
198.03188	0.6
211.04021	6.7
212.04749	1.7
220.13441	2.5
223.04089	1.3
224.04753	2.4
227.03490	0.7
238.14502	18.5
238.16930	1.0
239.03494	8.5
239.14809	1.3
240.04263	3.0
254.05783	2.0
255.02991	9.5
264.12408	3.9
267.02988	5.7
268.03784	22.3
282.05310	8.4
282.13489	44.1
282.25189	0.7
283.02573	4.5
283.06113	38.3
283.13837	2.1
283.19025	1.0
283.26434	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	282.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25445	0.7
58.65493	0.7
59.01372	3.0
64.21752	0.6
67.98128	0.8
69.31744	0.8
70.02986	1.0
71.01394	9.6
82.01057	0.6
88.04051	100.0
89.04376	1.2
91.01885	0.7
96.99313	2.3
99.62283	0.8
114.01962	5.6
115.00385	16.4
119.73016	0.9
129.92412	0.7
132.02287	1.5
132.03043	34.4
133.02933	0.8
135.00876	1.1
140.31660	0.8
153.89275	0.9
155.04977	1.0
157.55948	0.8
166.12350	3.1
167.10786	9.4
183.04474	1.0
195.04489	1.3
211.03998	2.9
212.04701	1.2
220.13402	0.8
223.03979	2.1
224.04761	3.3
238.14471	8.6
239.03554	5.8
240.04208	1.3
254.05466	2.8
255.03053	3.9
264.12405	2.3
267.02948	5.3
268.03784	22.1
282.05072	7.0
282.13498	39.7
283.02618	2.3
283.06110	28.2
283.13739	2.3
283.26437	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	282.0534
Annotation	calycosin(1-)
Peak:m/z	Relative Intensity
50.65430	0.2
60.02281	0.2
66.49227	0.2
69.54803	1.5
91.01894	0.6
93.03439	0.3
98.20635	0.4
105.33168	0.2
113.54241	0.3
117.03477	5.4
119.01443	0.5
123.04507	0.7
129.69879	0.3
132.02194	2.5
135.96199	0.3
139.05574	0.4
141.03464	1.8
141.49236	0.2
143.05054	2.2
147.00879	1.2
153.03500	0.4
154.04297	0.4
155.05046	6.7
156.05370	0.3
167.05049	6.1
168.48846	0.2
169.02951	0.4
171.04538	0.4
173.06061	0.7
182.03758	2.7
183.04517	11.7
184.04866	0.4
185.06078	0.4
195.04520	13.8
196.04895	0.8
197.02521	0.3
210.03224	3.2
211.04018	23.7
212.04443	1.4
222.03404	0.5
223.04012	7.4
224.04420	0.8
238.02766	2.1
239.03510	50.9
240.03865	2.9
250.02631	0.6
266.02283	0.7
267.03003	56.7
268.03430	3.8
282.05353	100.0
283.02649	0.5
283.05783	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	282.0535
Annotation	calycosin(1-)
Peak:m/z	Relative Intensity
65.00320	0.4
65.03996	0.3
69.62600	1.7
78.33775	0.2
90.99654	0.3
91.01909	0.4
93.03481	0.4
95.13273	0.3
96.22702	0.3
103.87194	0.3
117.03459	4.6
119.01389	0.7
123.04516	0.5
132.02185	2.0
133.03035	0.3
141.03439	1.4
143.05006	1.7
147.00900	0.8
152.14159	0.3
153.03500	0.4
155.05045	5.5
167.03636	0.3
167.05043	5.3
171.04478	0.4
173.06075	0.4
182.03749	1.8
183.04509	12.0
195.04524	13.0
196.04814	0.7
197.02451	0.4
210.03235	2.9
211.04015	22.6
212.04439	1.3
219.43259	0.3
222.03207	0.4
223.04013	6.8
224.04675	0.9
238.02742	1.9
238.09561	0.5
239.03503	48.3
240.03935	3.0
250.02776	0.5
255.03012	7.4
266.02267	0.6
267.02991	54.8
268.03558	6.6
282.05347	100.0
283.02536	3.6
283.05920	10.9
283.10727	0.4
283.26181	0.4
293.18427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
65.69370	0.2
67.64285	0.2
68.09507	0.2
70.39311	0.6
81.03488	0.2
91.05544	0.2
92.72020	0.2
93.03481	0.7
93.07084	0.2
94.04284	0.2
98.34273	0.2
107.05044	12.0
108.02198	0.4
108.05404	0.5
109.02924	0.2
109.06606	13.0
110.06950	0.4
119.05095	0.2
121.02993	0.2
122.03771	0.9
134.03754	0.9
135.04549	32.2
136.04875	1.0
137.02480	0.2
146.03783	0.4
147.04602	0.4
149.02489	0.8
149.06044	0.3
149.09697	0.2
161.02460	1.5
169.10263	0.8
171.06940	0.2
171.08112	1.1
175.07689	0.4
181.10231	0.4
183.08165	0.2
190.10020	3.2
191.10312	0.3
205.08636	0.3
211.07671	0.4
212.08476	1.1
213.09236	2.5
214.09694	0.3
222.08980	0.4
225.09235	12.9
226.09998	12.6
227.10344	0.6
237.09236	3.8
237.16505	0.6
237.67821	0.2
238.09787	0.9
279.14032	0.4
281.15485	100.0
282.15836	9.1
282.19034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28492	0.3
58.46366	0.3
58.48320	0.3
59.01372	1.2
62.46846	0.3
62.49144	0.3
71.01380	0.5
71.54642	0.3
91.05519	0.4
93.03455	1.9
99.04352	0.3
101.94415	0.4
107.05036	9.5
108.02159	1.2
109.06601	12.2
110.06915	0.4
112.84741	0.3
113.02390	0.3
121.02952	0.4
122.03758	0.7
134.03711	0.8
135.04538	26.9
136.04869	1.2
137.02470	0.3
147.04497	0.3
147.78590	0.3
149.02481	0.6
161.02438	0.7
167.08644	0.3
169.10231	1.5
171.08176	1.0
175.07645	0.8
190.10002	3.7
211.07654	1.0
212.08453	2.7
213.09200	3.1
222.09021	0.4
225.09216	10.5
226.09981	10.8
227.10387	0.5
237.09302	1.9
238.09924	0.5
239.03380	0.6
253.05005	0.6
267.02866	0.5
281.05090	1.9
281.15488	100.0
282.05322	1.0
282.15839	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	281.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	6.0
57.03452	3.0
58.00597	3.6
59.01387	100.0
69.03458	1.4
70.00426	3.6
71.01389	81.2
72.99328	4.6
73.02958	21.2
75.00901	1.5
83.01398	10.8
85.02965	34.3
87.00881	6.7
87.04531	4.3
89.02456	53.4
95.01421	5.8
97.03001	1.1
98.20611	1.4
99.00880	9.2
99.04546	1.2
101.02451	71.3
113.02467	37.1
113.03266	1.6
119.03509	18.3
119.07154	11.8
125.02469	1.7
128.56718	1.0
129.01894	1.5
131.03471	2.6
133.01573	3.3
133.05080	3.0
143.03577	5.1
149.04662	4.2
150.04242	14.3
159.02968	5.3
161.04581	35.2
166.67761	1.0
179.05641	4.6
198.62555	1.1
281.09033	2.8
281.12405	24.9
282.08438	3.8
282.12875	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	281.1397
Annotation	Carolenalol
Peak:m/z	Relative Intensity
53.86036	1.1
55.01876	3.1
57.03450	19.8
59.01382	13.9
65.03957	5.3
69.03440	2.4
69.71217	2.3
69.71629	4.0
71.01392	2.7
71.05045	1.2
76.77830	1.3
79.95721	1.3
81.03470	1.8
82.02986	9.6
83.05028	15.9
85.02962	3.6
87.00886	18.7
93.03446	2.1
95.01355	1.1
95.05025	5.0
96.96026	1.6
97.02961	2.1
97.06611	1.1
98.02500	4.4
100.04041	4.9
101.06095	1.4
107.05052	1.8
109.06628	2.6
110.02454	1.2
111.04543	6.4
111.05151	1.1
111.08162	4.0
111.47202	1.1
113.02447	1.6
113.06033	1.5
119.08666	3.6
119.54754	1.1
121.06599	10.7
123.08174	40.2
124.05330	2.5
124.07629	2.0
124.08498	1.2
129.07042	1.7
133.06688	1.2
135.04512	2.3
135.08189	2.6
136.07686	6.2
137.06064	1.6
137.09727	5.2
139.07660	4.9
139.26810	1.0
145.10208	4.3
148.01665	4.0
149.05989	1.2
150.63510	1.1
151.07655	5.6
153.09206	6.3
159.11847	1.4
161.02513	1.3
163.07655	1.4
163.11366	1.9
165.09200	1.8
168.51338	1.1
169.08780	2.5
169.10210	5.3
171.11801	42.4
172.12090	3.3
175.11234	2.7
179.03441	1.8
189.12860	15.2
190.13203	1.3
191.03389	1.6
191.07141	6.8
201.12860	13.8
207.13924	10.7
209.08192	2.2
219.13879	7.4
221.04675	1.6
235.10846	2.3
237.12537	2.3
237.14978	65.7
238.15233	3.5
281.07022	6.2
281.11557	4.7
281.13971	100.0
282.14197	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	281.088
Annotation	(3R)-3-(beta-D-glucopyranosyloxy)-4-hydroxybutanoic acid
Peak:m/z	Relative Intensity
55.01863	1.0
57.03448	0.5
57.09568	0.3
59.01380	8.8
59.25584	0.3
71.01388	21.3
71.53850	0.4
72.99318	0.5
73.02952	0.9
75.00869	1.3
83.01390	0.7
85.02962	3.7
86.34957	0.3
87.00883	13.1
87.04510	1.5
89.02451	8.5
91.21011	0.3
95.01417	0.8
95.87180	0.4
99.00863	0.4
101.02455	5.2
105.91869	0.3
113.02466	3.4
119.03533	2.3
119.07162	0.4
133.05078	100.0
134.05431	2.7
147.02991	1.9
149.06046	0.6
161.04610	1.9
163.06166	2.9
165.04126	0.4
281.08813	8.6
281.12399	1.9
282.09048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.9
57.03439	4.5
57.72218	2.0
58.00589	4.5
59.01383	91.7
71.01389	95.3
71.52996	3.0
72.01742	2.0
72.99328	3.0
73.02955	17.7
83.01391	8.1
85.02954	29.1
87.00866	17.4
87.04492	3.8
89.01936	4.3
89.02456	59.1
95.01383	8.3
99.00880	6.2
99.33718	2.4
101.02454	59.6
113.02460	34.0
119.03506	18.6
119.07138	11.0
125.02470	2.2
133.01616	3.0
133.05083	100.0
134.05399	3.5
143.03505	6.3
147.03059	4.1
149.04562	2.3
150.04242	20.1
159.02942	6.0
161.04570	32.5
163.06119	6.8
166.52486	2.5
168.11343	2.1
179.05615	5.0
281.08954	5.9
281.12350	30.9
282.08374	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	281.082
Annotation	7,2'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
55.80108	0.4
57.03465	0.4
57.99272	0.4
59.01385	3.7
67.01915	0.8
70.11166	0.5
71.01381	1.0
73.34777	0.5
77.73692	0.4
80.29536	0.5
89.02460	0.5
91.01944	0.5
95.01407	0.5
96.96031	0.5
101.02485	0.6
105.03511	0.5
107.16785	0.4
116.97340	0.4
117.03475	2.5
121.02990	1.1
123.00832	0.6
125.98400	0.4
132.02118	2.2
133.02963	4.2
137.39076	0.4
141.03508	0.5
143.05070	1.1
145.02980	4.5
146.03749	36.3
147.00890	0.6
147.04094	1.3
148.01712	1.1
149.02409	0.9
155.05040	1.5
160.01620	1.9
161.02473	11.3
162.02989	0.7
167.05051	1.7
177.01950	1.3
178.02725	38.2
179.03053	1.6
182.03780	0.6
183.04524	3.3
195.04527	4.8
207.08217	1.2
209.09691	2.7
210.03252	1.2
211.04016	6.4
223.04036	2.0
237.09224	100.0
238.02684	0.7
238.09534	7.9
239.03523	15.4
253.05028	1.7
266.02188	1.7
267.03009	16.3
281.04758	4.6
281.08197	58.8
281.17621	1.5
281.22067	0.6
281.24863	3.7
282.05411	30.2
282.08517	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0822
Annotation	Eutypoid B
Peak:m/z	Relative Intensity
59.01388	1.3
65.00339	0.4
66.01122	0.4
66.68822	0.3
71.01414	0.5
71.54480	0.3
82.13311	0.3
95.01395	0.5
101.02434	0.3
102.91198	0.3
107.05049	0.7
108.02180	4.3
109.06618	1.1
121.02991	0.5
122.03761	3.1
132.02197	3.8
133.02939	1.6
133.66884	0.3
135.00885	2.0
135.04535	2.4
146.03740	8.9
148.01683	5.2
149.02437	0.7
160.01654	2.7
161.02455	53.8
162.02817	2.1
163.00380	0.9
176.01169	0.7
177.01987	1.4
178.02742	1.2
180.78650	0.3
186.59758	0.3
190.10027	0.4
211.03917	0.5
225.05573	0.4
225.09216	0.9
226.10078	0.8
235.07594	0.4
237.09215	100.0
238.09569	7.4
239.03621	0.5
252.04305	0.4
253.05093	1.3
274.12347	0.3
274.42276	0.4
281.08197	74.4
281.15286	9.0
281.21280	0.9
281.24365	1.6
282.05246	1.0
282.08490	6.0
282.15808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07444	0.2
65.00352	0.2
69.40862	0.4
69.41271	0.9
74.76526	0.1
91.01896	3.1
91.02433	0.2
96.96023	0.2
97.99742	0.2
117.03488	0.7
127.14421	0.2
127.16611	0.2
128.38200	0.2
132.02187	1.4
132.03055	0.3
133.02985	2.5
135.00874	3.2
139.05438	0.2
143.05006	0.3
153.01929	0.6
153.07117	0.3
159.00804	0.3
160.01642	0.3
161.02426	0.3
167.04971	1.1
169.06596	1.2
180.05858	1.5
181.06604	0.9
182.03773	0.4
183.04573	0.9
185.02461	0.3
185.06078	1.3
195.04510	2.9
196.05309	2.0
197.06078	2.5
207.04588	0.3
208.05296	3.7
209.06093	5.3
210.03235	0.3
210.06372	0.3
211.03957	1.1
213.05635	0.2
223.04025	4.3
224.04764	4.9
225.05562	5.5
226.05977	0.2
235.04056	0.6
237.05447	0.3
251.01009	0.3
251.03510	4.5
252.04294	5.7
253.05069	55.1
254.05421	3.5
276.87286	0.2
279.03003	1.9
280.03571	0.5
281.04565	100.0
282.04910	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	281.0457
Annotation	4,5-Methylenedioxy-6-hydroxyaurone
Peak:m/z	Relative Intensity
52.23480	0.2
57.75234	0.2
59.01356	0.7
63.12547	0.2
67.94760	0.2
69.81944	0.7
77.05875	0.2
102.77366	0.2
111.59166	0.2
135.00935	0.4
147.13966	0.2
153.16502	0.2
166.04240	0.5
169.02982	0.2
170.03751	0.3
182.03748	1.1
183.10036	0.2
192.36922	0.2
194.03737	0.4
198.03204	0.4
210.03197	1.1
237.01979	0.8
238.02679	1.5
242.73682	0.2
253.05043	0.6
265.01556	1.1
266.02203	100.0
267.02560	6.7
270.32495	0.2
281.04562	33.7
281.24658	0.4
282.04919	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	281.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10761	0.3
59.01366	0.8
65.36589	0.4
66.45367	0.3
70.09172	1.6
71.01389	1.7
80.97054	0.3
91.01901	0.6
108.02187	1.9
115.00386	0.5
115.54817	0.4
121.02911	0.4
121.10236	1.0
122.03732	2.4
132.02174	4.4
135.00903	1.4
146.03749	11.2
148.01671	2.7
149.02455	0.7
160.01663	2.4
161.02452	37.8
162.02788	1.6
163.00375	0.6
165.09219	3.2
169.06584	0.5
177.01889	1.3
178.02708	0.8
186.62852	0.4
200.97133	0.3
209.06055	0.7
219.17557	0.6
225.05582	0.8
237.09213	100.0
238.09558	6.5
238.11739	0.6
239.03575	0.6
251.03737	0.4
252.04362	0.7
253.05066	5.0
267.03033	0.5
281.04614	9.8
281.08197	32.4
281.17511	0.8
282.05396	0.9
282.08545	2.4
287.96008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01376	0.7
60.39941	0.5
70.72308	1.1
75.54533	0.5
87.62396	0.6
88.26112	0.6
91.92563	0.5
185.89494	0.6
206.65480	0.6
207.01550	0.6
261.22235	0.6
279.23309	100.0
280.23669	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	280.083
Annotation	Fenitropan
Peak:m/z	Relative Intensity
59.01384	2.6
71.01386	9.3
71.54525	0.9
72.00941	0.8
72.99348	0.7
88.04051	100.0
89.04392	1.7
96.96028	1.7
99.00990	0.6
106.04275	1.9
108.02189	0.9
109.01759	0.8
113.02412	0.6
114.01984	5.4
115.00385	18.5
119.05097	1.6
120.05344	1.3
132.03043	97.7
133.01427	3.1
133.03365	1.5
134.01764	1.8
147.04559	0.8
159.06958	0.6
163.04042	0.8
164.04427	0.7
164.07201	2.8
165.05589	7.3
171.11887	0.7
212.09283	0.6
236.09244	3.5
244.06200	0.7
262.07275	1.5
280.08319	20.5
280.11597	1.3
281.06729	1.4
281.14075	1.0
294.74020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60714	0.1
59.01369	0.5
65.00328	0.3
68.99812	0.2
69.18993	0.4
69.19413	1.0
75.24672	0.1
80.83099	0.1
89.03996	0.2
91.01898	2.9
93.03371	0.1
112.29601	0.2
117.03497	0.7
123.04563	0.2
127.05499	0.2
132.02187	1.4
133.02057	0.2
133.02979	2.7
135.00896	3.7
139.05588	0.3
141.07211	0.2
143.05048	0.4
153.01920	0.3
153.07071	0.3
155.05032	0.2
159.04466	0.2
160.01636	0.4
161.02429	0.6
165.07065	0.2
167.05034	1.1
169.06642	1.1
179.05049	0.2
180.05815	1.4
181.06575	1.1
182.03697	0.5
183.04501	1.2
185.06081	1.1
191.05008	0.2
195.04512	3.1
196.05307	2.0
197.06076	2.7
207.04515	0.3
208.05322	4.1
209.06082	4.9
210.03304	0.3
210.06491	0.3
211.04001	1.3
213.05637	0.1
223.04002	4.9
224.04779	5.4
224.06987	0.3
225.05566	5.4
226.02695	0.3
226.05893	0.3
235.04105	0.3
237.05603	0.4
237.11203	0.2
239.03444	0.2
251.03508	4.5
252.01627	0.3
252.04283	5.6
253.05066	54.5
254.05431	3.5
267.02969	0.2
279.03030	2.0
280.03732	0.5
281.04562	100.0
282.04916	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	281.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
66.06087	0.2
66.16702	0.2
70.85209	0.5
91.01905	3.2
92.81464	0.2
96.96019	0.8
114.08035	0.2
117.03456	1.0
121.49496	0.2
132.02191	1.8
133.02965	2.5
135.00909	3.7
143.05045	0.6
153.01974	0.6
153.07063	0.4
155.04984	0.3
160.01701	0.3
161.02409	0.5
167.05069	1.4
169.06570	1.3
179.05032	0.3
180.05843	1.8
181.06558	1.0
182.03786	0.4
183.04578	0.6
185.06108	1.4
195.04501	3.2
196.05298	1.9
197.06084	2.5
198.03201	0.5
202.69788	0.2
207.04521	0.6
208.05298	3.3
208.39746	0.2
209.06114	5.0
210.03159	0.3
210.06482	0.3
211.04025	1.6
223.04002	4.5
224.04797	5.0
225.05556	5.2
226.02754	0.7
226.05952	0.5
235.04001	0.6
237.05582	0.4
239.03555	0.3
251.03473	4.4
252.04271	5.2
253.05072	56.0
254.02223	0.7
254.05414	3.1
267.02942	0.4
279.02966	2.1
280.03690	0.5
281.04565	100.0
282.01794	0.9
282.04861	7.0
291.48788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1969
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
54.32208	0.4
57.03453	33.3
58.03805	0.6
59.01385	9.4
66.75394	0.6
67.01881	0.5
69.29738	3.9
69.65221	0.5
71.01377	1.3
71.05026	24.9
83.05040	0.8
85.02970	0.6
89.02475	0.7
92.65385	0.6
94.08912	0.5
96.96027	0.8
97.06635	0.7
99.04513	0.6
101.02481	1.3
102.32900	0.6
107.08692	1.4
109.06596	0.6
113.02464	0.6
119.05053	1.1
121.03001	0.6
143.03529	0.7
171.10277	2.1
175.00388	0.6
193.15938	1.1
203.14384	1.5
213.16551	0.6
217.16046	0.5
219.17451	2.5
221.15469	3.5
234.05237	0.8
235.05389	1.0
235.07680	12.7
235.10025	1.1
235.17105	1.2
235.20586	0.6
236.07922	0.6
242.11969	0.5
249.07433	0.5
251.07097	0.5
261.05563	0.8
261.18604	8.6
279.06564	5.6
279.19684	100.0
279.23044	6.1
280.07016	0.6
280.20032	8.1
298.72125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
64.54772	0.3
71.38498	0.6
72.59953	0.4
79.87318	0.4
84.34151	0.3
96.96016	0.5
107.97332	0.4
116.48906	0.3
144.52469	0.4
184.43323	0.4
192.75133	0.4
235.11771	0.4
261.22281	0.7
276.44537	0.4
279.23309	100.0
280.23645	7.9
287.74258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1087
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
51.78349	1.0
55.01856	1.2
57.03445	1.5
58.00594	4.4
59.01385	100.0
62.75076	1.1
69.83488	6.0
71.01388	59.6
72.99303	4.9
73.02921	1.2
83.01366	2.3
85.02956	10.4
87.00869	2.0
89.02452	76.7
89.96995	1.3
95.01408	2.6
99.04530	2.6
101.02446	37.7
113.01720	1.9
113.02464	27.0
117.05639	5.6
117.35223	1.1
117.83378	1.0
119.03517	37.5
131.03484	1.6
147.06671	1.8
149.04572	1.7
161.04587	1.1
179.05640	4.6
192.33002	1.1
193.91167	1.1
279.10873	51.2
280.11078	1.5
285.20016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
56.76157	0.9
57.03454	2.0
58.00594	3.4
59.01385	100.0
60.01721	1.4
62.54169	0.9
69.53522	5.0
71.01389	51.0
71.05009	1.1
72.99323	4.3
73.02962	2.3
83.01408	2.3
85.02953	10.7
87.00896	1.9
89.02454	67.6
95.01407	3.8
98.20555	1.5
99.04524	6.0
101.02453	33.2
101.03117	1.9
113.02458	21.2
117.05614	4.5
119.03518	30.8
131.03529	2.5
143.03535	4.0
147.06677	1.2
149.04568	2.4
161.04555	1.6
179.05606	3.6
229.48279	1.1
279.10895	34.6
280.11331	2.2
296.93085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1969
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
57.03454	3.5
57.10599	2.0
59.01386	16.4
63.26580	2.0
71.01386	7.2
71.05029	5.8
71.54729	2.2
72.39985	2.1
72.55199	1.8
73.02917	2.4
83.05046	2.1
85.02947	3.6
87.43128	2.0
89.02464	3.9
90.22936	1.9
96.96025	3.2
101.02434	2.3
109.06567	2.1
113.02418	3.1
119.04968	2.7
131.01425	2.4
131.08623	2.1
139.07648	2.6
149.64935	1.8
154.91380	2.1
165.56627	2.7
195.13875	1.9
209.15474	3.1
217.19618	4.9
221.15466	17.8
223.17068	5.9
235.17038	25.0
236.17285	2.9
261.18628	34.8
262.18951	4.2
279.06522	4.6
279.13849	6.2
279.16489	4.9
279.19656	100.0
279.23260	27.5
280.19806	9.8
302.33163	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01385	3.3
59.43285	0.2
59.67623	0.2
70.92597	0.5
71.01395	0.4
77.09008	0.2
79.95754	0.2
83.01342	0.2
83.05030	0.2
88.39958	0.2
90.68529	0.2
104.83418	0.2
121.02984	0.2
127.07681	0.4
134.89493	0.2
152.91730	0.2
194.92758	0.3
205.15964	0.5
233.19164	0.4
233.22794	0.4
259.20630	0.5
262.68472	0.2
275.20166	0.2
277.18484	4.7
277.21732	100.0
278.18881	0.4
278.22079	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94088	0.3
59.01383	4.8
69.37166	1.6
69.37593	1.2
69.58277	0.3
71.01383	0.6
89.00352	0.5
98.19901	0.5
112.98635	0.3
121.02950	1.0
127.07715	0.3
127.68953	0.4
152.91754	0.7
174.05736	0.4
186.21489	0.4
194.92773	0.6
204.97572	0.5
205.15942	1.1
233.19057	0.5
233.22798	0.6
259.20493	0.6
275.20184	0.4
277.18274	7.9
277.21722	100.0
278.18814	0.6
278.22070	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	279.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00037	2.0
51.88411	1.9
56.91514	1.8
59.01384	5.1
68.52873	1.7
69.46126	5.6
69.46542	7.9
71.01387	24.1
72.99296	2.4
75.84302	1.6
76.05039	1.9
85.02955	3.5
95.50327	1.9
98.20657	2.1
99.66788	1.9
113.03226	2.2
115.00382	37.3
119.05033	38.4
127.24335	2.2
129.19604	1.7
133.01445	100.0
134.01672	1.9
163.04019	30.8
172.16096	2.1
279.12189	2.3
279.23465	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0667
Annotation	3-Methylflavone-8-carboxylic acid
Peak:m/z	Relative Intensity
51.81213	0.3
57.03438	0.4
59.01383	1.7
60.39019	0.3
61.91964	0.4
65.00315	1.5
65.03954	0.5
69.38261	2.9
70.84805	0.3
71.01369	1.0
73.02925	0.5
75.78790	0.4
79.05542	2.8
85.02953	0.5
89.02449	0.4
92.96216	0.3
96.96021	0.5
97.06574	0.7
101.02409	0.7
107.05045	8.2
111.00721	0.4
119.05014	0.8
123.29025	0.3
165.07005	0.4
170.03723	1.4
173.06100	1.6
178.07825	1.0
179.08640	4.4
180.09065	0.3
188.08449	2.9
193.06645	0.6
195.08119	0.3
203.07195	0.5
205.06607	0.5
206.07373	0.8
207.08109	1.3
211.33978	0.4
223.07671	0.6
233.06100	7.4
234.06735	0.7
235.07654	100.0
236.08011	6.0
242.68054	0.3
263.10831	0.6
266.05884	0.5
279.06659	35.8
279.13895	29.6
279.19684	5.3
279.23285	3.7
280.06934	2.9
280.14310	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	277.1447
Annotation	Isoacrostalidic acid
Peak:m/z	Relative Intensity
51.84301	1.5
58.00594	7.4
59.01384	6.0
61.98831	1.8
69.03464	10.6
69.92250	1.3
71.01385	4.8
71.46491	2.6
83.05102	2.2
85.02937	3.0
88.04529	1.3
89.00360	2.4
93.03450	1.6
97.02957	60.6
97.03590	3.2
99.00877	2.5
101.02473	1.7
118.94221	2.2
121.02956	7.0
133.06602	2.0
135.04465	2.3
149.06052	2.9
152.91769	20.2
160.98837	1.7
163.11325	3.6
167.90488	2.8
178.95258	1.4
190.05084	1.8
194.92809	38.2
194.95551	2.6
207.13895	9.6
212.93767	3.2
217.12122	1.6
218.13145	5.2
219.06670	1.4
232.00761	1.3
232.97255	1.6
233.15466	100.0
234.15817	6.6
276.93124	5.5
277.09586	3.2
277.14487	65.7
277.17877	3.6
277.21658	30.4
278.14697	4.3
278.21985	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
70.84219	1.3
82.55343	0.4
107.99245	0.5
117.58224	0.5
131.61717	0.5
149.09203	0.5
233.22672	0.8
268.46243	0.5
277.21735	100.0
278.22104	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	277.093
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
55.01874	1.8
57.03454	1.2
58.02964	1.0
59.01384	5.8
69.03464	2.3
70.25277	1.4
71.01387	100.0
71.05029	0.5
72.01719	1.0
72.31058	0.3
73.02952	5.6
74.02509	0.6
75.00874	0.4
76.98280	0.4
83.01396	8.1
85.02957	7.6
87.00885	14.5
87.04525	1.8
87.26869	0.4
89.02452	3.8
94.91173	0.4
95.01392	0.7
97.02957	1.1
97.06611	1.5
99.00885	1.8
99.04546	1.5
101.02447	5.0
101.06083	0.5
107.05040	1.3
113.02453	7.0
113.06164	0.5
115.00394	0.5
115.04014	0.9
115.07657	0.5
116.07201	0.7
120.99673	1.9
123.04563	1.0
125.02442	1.2
125.06087	8.0
127.04044	0.5
129.05614	1.5
130.06650	1.7
133.05077	79.8
134.05453	1.6
137.06134	0.6
141.05620	0.7
144.04576	1.1
145.05090	0.7
146.06128	0.6
147.02997	0.5
148.04030	0.6
155.07153	0.5
155.56914	0.4
159.02905	0.5
160.04053	0.5
161.04559	0.7
169.05106	4.3
174.05608	1.9
187.06192	2.1
190.05231	1.3
229.43483	0.4
233.09441	0.4
262.39813	0.4
277.09308	13.6
277.12561	1.1
277.21753	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	277.1235
Annotation	(4E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
Peak:m/z	Relative Intensity
50.02122	0.3
54.30272	0.3
59.01380	0.9
63.40026	0.3
65.03973	0.3
66.71176	0.3
69.56476	2.1
69.84421	0.3
71.01391	0.5
71.04862	0.3
79.05540	2.3
88.96506	0.3
93.07099	0.7
106.92483	0.3
107.05028	2.6
113.19389	0.3
121.02954	1.0
121.06637	1.9
129.07100	0.4
130.06689	0.4
130.97696	0.3
145.06609	0.5
147.04372	0.3
152.91782	1.9
157.06577	0.4
160.98740	0.6
167.90530	0.4
169.06654	0.4
183.04633	0.3
193.06537	2.1
194.06903	0.4
194.92827	2.9
195.04601	1.2
195.08179	1.3
197.06099	0.4
208.05321	7.2
209.05896	0.8
210.06960	1.1
217.10254	0.5
218.11005	1.9
219.11809	0.4
221.06100	21.7
221.13187	0.5
222.06636	2.1
223.07707	3.9
229.10025	0.4
231.11812	1.5
233.06143	1.7
233.09773	1.4
233.13313	1.9
233.19269	0.5
234.06929	2.7
235.07613	1.3
235.11269	1.0
236.08488	1.0
243.08229	2.5
244.08871	1.3
245.09471	0.5
246.07019	0.5
247.07622	4.4
249.12875	4.0
257.09766	2.9
258.10455	1.3
259.11304	10.3
259.13953	0.7
260.08420	1.2
260.11575	1.1
261.09219	10.0
262.09918	4.9
263.10840	0.7
274.10043	0.6
275.10785	3.1
276.11569	35.5
277.12332	100.0
277.21652	3.5
278.12869	12.1
291.10376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0931
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
53.61556	1.2
55.01886	8.7
55.41646	1.3
57.03445	5.7
59.01385	44.9
62.18790	1.2
70.20040	5.6
71.01388	100.0
71.05022	5.1
72.99321	3.4
73.02955	32.0
77.68812	1.4
77.96475	1.6
83.01392	11.5
85.02954	46.5
87.00883	5.0
89.02459	11.5
95.01377	8.8
97.02950	3.3
99.00887	12.6
101.02450	58.8
106.92086	1.5
113.02457	41.1
115.04021	48.5
119.03503	5.0
125.06080	2.4
128.03545	2.2
133.05086	1.6
135.41077	1.4
143.03499	3.0
145.05057	1.3
146.06085	1.2
151.22438	1.3
159.02975	7.9
161.03247	2.7
161.04553	32.0
233.10281	7.5
239.25072	1.4
243.66997	1.3
277.09390	14.8
277.14996	2.6
277.21735	5.5
294.13809	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	276.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
64.32902	1.1
69.03425	1.5
70.03509	0.9
71.01361	1.7
71.05026	9.8
71.44835	1.7
73.02952	2.7
78.40679	0.9
81.55305	1.1
83.05036	2.9
85.21232	1.0
87.00856	3.1
97.02959	5.7
111.04516	2.7
115.04034	14.5
120.99649	1.2
125.06093	1.3
128.03526	1.0
141.93500	1.0
154.12326	2.4
156.10277	1.9
172.13461	4.0
178.80519	1.0
198.11406	10.6
216.12413	30.8
217.12593	1.8
276.14398	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	277.025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02986	0.6
59.01371	1.7
60.77208	0.4
61.85458	0.4
65.35595	0.5
66.35767	0.4
66.67983	0.4
67.80619	0.5
71.01386	1.3
71.54963	0.9
71.94123	0.5
75.00861	1.2
78.90938	0.5
79.05544	1.2
82.13512	0.5
89.00350	0.8
92.99784	0.7
104.21643	0.5
106.39014	0.5
107.05041	12.4
115.04008	0.5
121.02962	1.8
128.05138	0.5
129.07109	0.6
131.08658	1.0
133.05058	0.6
133.06595	0.5
152.91772	3.3
157.06616	8.4
159.04538	2.2
160.05234	0.7
174.05554	0.9
175.07671	13.5
190.05234	0.9
193.08644	1.0
194.92857	4.5
201.05609	23.1
202.05956	0.8
202.08298	0.4
213.59985	0.4
219.06642	100.0
220.06987	5.5
251.03343	1.8
276.18887	0.9
277.02756	4.5
277.14499	1.8
277.18442	1.3
277.21735	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	277.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	17.6
59.01385	2.4
59.37465	0.7
64.71896	0.9
69.49373	5.3
71.01389	1.1
73.02971	1.0
84.04547	4.8
87.76759	0.9
88.70468	0.7
90.59203	0.8
92.05066	1.8
99.00880	1.4
99.08187	0.9
102.03516	1.5
106.06595	1.0
108.04578	1.8
114.01984	1.2
115.07655	1.2
118.03004	4.3
118.06631	5.4
120.04549	1.5
123.48503	0.8
124.04009	0.9
128.05075	11.4
129.05864	3.9
130.06638	100.0
131.03780	9.9
131.05011	3.4
131.07005	4.6
137.02466	1.2
144.04556	38.9
145.05304	1.5
145.08728	4.4
146.06134	29.7
147.06508	1.0
148.04056	2.3
156.04558	1.0
159.03214	1.1
159.06573	1.7
161.02539	2.1
161.04742	2.4
172.04034	4.7
173.07202	1.8
174.05611	97.3
175.05910	4.0
190.05110	70.0
191.05424	1.8
215.08286	4.0
218.04593	11.6
277.03882	1.4
277.08276	4.6
277.21729	2.2
297.97186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.202
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.35333	0.7
59.01386	8.9
71.01382	1.4
71.38984	1.6
72.46730	0.8
72.95045	0.7
83.05043	1.3
103.80503	0.8
148.52477	0.8
162.24066	1.0
175.86897	0.8
177.16411	1.8
203.17955	1.2
231.21220	9.3
237.66798	0.8
239.47501	0.8
257.19269	0.9
275.20169	100.0
276.20532	8.1
286.97107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81916	0.8
58.02981	3.5
59.01386	100.0
69.03465	2.0
69.32459	1.8
69.32863	4.8
71.01390	8.9
71.05026	9.8
73.02956	6.7
81.03509	1.2
82.78780	0.8
83.01397	1.7
83.05048	2.6
83.33281	0.8
84.04559	2.4
85.02960	5.1
86.88994	0.9
87.00883	3.4
87.04563	0.9
89.02467	2.2
92.05081	2.9
95.01402	1.3
97.02975	8.0
98.19879	1.5
99.00915	1.7
100.07697	0.9
101.02454	3.6
110.06135	1.2
111.04537	2.0
113.02459	3.6
113.99577	1.1
115.04025	17.5
119.03451	0.9
120.04567	1.2
120.99666	2.5
125.06129	0.8
126.05701	0.9
128.03574	6.4
128.07164	5.7
129.05598	1.5
129.07539	1.3
133.05052	2.3
144.04630	2.0
144.06670	1.4
146.06187	1.0
146.08257	5.4
147.06694	0.8
147.08487	1.0
148.04048	5.4
154.12360	0.8
156.10342	1.0
161.04643	1.5
170.08244	3.1
172.13445	4.4
188.09305	1.8
198.11371	12.5
202.10866	3.9
215.08304	2.4
216.12410	24.6
217.12796	1.0
230.61011	0.9
233.10341	0.8
276.07993	1.4
276.11719	1.4
276.14325	6.4
277.05576	0.9
277.08698	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	273.15
Annotation	Podocarpic acid
Peak:m/z	Relative Intensity
54.26438	0.3
59.64948	0.4
66.89670	0.4
69.40710	3.0
69.74982	0.4
81.70164	0.4
102.50130	0.4
106.04256	27.2
107.05053	18.5
108.02231	0.4
108.05435	0.5
108.07721	0.4
116.03500	0.3
119.05043	3.4
121.02962	0.6
124.66711	0.4
138.03249	6.8
143.05032	0.5
145.06598	1.7
147.08179	1.3
150.03255	3.8
159.08180	2.8
182.02209	3.6
229.15982	38.3
230.16313	3.2
273.14975	100.0
274.15378	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	273.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42018	0.5
60.43158	0.4
60.43468	0.4
68.69582	0.4
69.39524	2.5
70.09666	0.5
74.05588	0.4
116.72407	0.5
118.80746	0.4
206.30060	0.4
247.76901	0.4
264.38156	0.4
273.18613	100.0
274.18985	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	274.0936
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
55.01877	1.6
57.03441	1.8
58.02977	8.0
58.83478	1.0
59.01384	7.2
69.03472	1.6
71.01385	16.0
71.05020	1.3
71.45069	1.4
71.72048	0.9
72.04557	1.5
73.02950	6.7
73.04083	1.3
74.02470	2.6
79.95713	1.1
81.03450	1.4
82.02982	4.1
83.01385	4.3
83.05035	9.3
84.04556	3.0
85.02962	4.8
86.06120	1.0
87.00882	2.9
88.04059	1.4
89.02454	100.0
94.02989	1.4
96.04545	1.8
97.02984	1.5
98.02477	6.2
98.06100	1.6
99.00861	2.2
99.04522	2.8
100.04067	10.5
100.07689	2.8
101.02425	2.8
101.06075	2.5
109.02959	2.1
110.06142	9.0
112.04065	7.8
113.02468	1.9
113.06126	1.9
114.05601	5.0
115.00369	0.8
122.06181	1.8
123.04616	1.1
124.04035	2.5
125.02455	1.0
125.06046	1.2
126.05621	13.9
126.09267	1.0
126.90311	1.0
127.04031	13.2
128.03577	1.1
128.07188	26.4
130.08768	1.0
131.03586	1.0
136.04068	1.5
138.05612	0.9
138.09242	1.6
140.03522	1.3
142.05115	4.3
142.08710	2.5
143.11934	3.7
144.06619	6.0
144.10481	0.9
145.05077	15.5
146.02501	1.5
146.08240	33.3
146.09395	1.8
154.05080	1.7
156.06662	3.6
156.10258	3.7
157.05066	2.6
160.04008	1.0
166.05124	2.0
172.03958	1.0
174.99194	1.4
181.90918	1.4
184.06134	1.2
188.44267	0.9
200.14096	1.1
202.07216	4.3
232.08270	4.5
273.97305	1.2
274.09323	86.2
274.12949	51.5
275.09741	3.4
275.13211	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	273.0772
Annotation	4,2',4',alpha-Tetrahydroxydihydrochalcone
Peak:m/z	Relative Intensity
58.32793	0.4
59.01387	1.0
65.03967	4.1
67.01880	1.3
69.64839	1.9
69.65255	0.7
71.01369	1.0
79.05544	3.3
79.95742	20.6
80.02721	0.5
80.96520	0.9
81.03461	2.6
83.01382	0.5
90.21963	0.5
91.01917	0.6
93.03468	5.0
99.00883	1.4
99.24292	0.4
108.02197	1.4
109.02959	29.2
119.05033	1.4
120.05364	0.6
121.02971	11.2
122.03751	1.3
123.00920	0.9
123.04537	10.2
133.02980	0.7
134.03777	0.6
135.00888	0.8
135.04532	2.9
136.01640	0.9
137.02457	22.8
138.02765	0.8
139.04015	1.5
141.56715	0.4
148.01674	10.5
148.02846	0.8
149.02449	14.5
153.00772	0.7
163.04022	21.0
164.04344	1.0
165.01941	7.8
166.02629	0.9
167.03506	100.0
168.03848	3.3
172.05370	0.6
173.06044	0.8
178.06367	16.3
178.07913	1.0
179.03557	0.6
179.06709	0.7
183.08057	0.6
185.06067	0.5
187.04065	0.6
191.07120	1.2
193.08701	13.7
194.09100	0.9
201.05579	3.6
202.06253	0.7
215.03601	0.5
215.06982	0.7
216.07802	0.5
227.07137	4.2
229.05052	0.5
229.08743	0.5
230.05832	5.9
243.06560	0.6
245.04437	0.7
245.08209	0.9
255.06624	7.8
273.04388	12.4
273.07675	31.6
273.17172	1.6
273.20444	0.5
274.04761	0.5
274.08011	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13543	1.0
60.05429	0.9
61.93208	0.9
69.05242	0.9
80.02672	1.1
83.01386	1.6
86.02452	1.1
93.03440	0.9
95.01386	1.6
98.19781	1.8
108.02177	14.3
117.03458	1.0
121.02958	2.4
123.04537	2.2
125.09724	1.1
132.02196	1.1
133.02945	1.3
134.03749	2.6
141.07094	3.6
143.05032	1.6
145.02908	1.1
146.03706	1.1
147.04463	1.1
148.01649	1.4
156.05801	2.4
159.04575	2.0
161.02477	3.1
162.03249	1.6
169.06580	3.2
170.07382	7.2
171.04489	6.8
173.02434	9.6
174.03279	1.3
176.01123	3.1
183.04636	0.9
184.05270	8.7
185.04495	2.0
185.06087	27.5
185.07742	1.4
186.06850	25.6
187.04037	3.8
187.07196	1.7
188.04691	1.1
188.75380	0.9
189.01936	3.1
190.02713	16.4
198.03239	2.6
199.04097	6.1
199.07652	13.1
201.01941	44.5
201.09224	22.3
202.02701	8.9
202.09633	1.6
211.04050	3.1
212.04752	2.7
213.05586	9.1
214.06367	57.6
215.03485	13.2
215.06743	3.7
216.00638	4.0
216.04254	35.6
217.04794	2.0
218.02211	1.0
222.01721	3.9
227.07140	4.1
229.05220	10.0
229.08688	48.7
229.54053	1.2
230.09077	2.9
244.07335	1.1
245.08191	100.0
246.08426	4.7
273.07700	88.6
273.17093	22.1
273.20129	1.9
274.07990	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	272.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89771	0.7
53.47181	0.6
55.99577	0.6
57.89402	0.6
58.02979	15.9
59.01387	6.3
62.81966	0.6
67.52480	0.6
68.60398	0.6
70.02988	1.5
71.01389	12.5
71.31211	1.1
73.34776	0.6
77.93222	0.6
78.53998	0.6
86.78064	0.6
88.04051	100.0
89.04374	1.0
89.76110	0.6
96.99315	1.9
97.06599	19.1
112.04043	0.9
114.01987	3.3
115.00386	16.6
130.05118	21.6
132.03040	14.8
142.08774	6.8
156.10297	6.1
157.08720	12.4
174.04065	3.8
209.35384	0.7
213.05246	0.7
219.48203	0.7
228.12410	6.1
240.08879	2.1
244.06404	0.7
254.10414	2.0
270.17426	0.6
272.11426	48.5
273.07693	1.6
273.11835	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	272.1142
Annotation	(R)-glutaconylcarnitine
Peak:m/z	Relative Intensity
56.04555	0.5
58.02980	18.4
59.01387	6.2
70.02986	1.8
71.01389	11.4
71.54175	0.6
83.45514	0.6
88.04050	100.0
89.04401	1.2
96.99332	1.3
97.06593	18.9
98.06922	0.7
112.04063	1.1
114.01984	2.4
115.00381	18.4
116.00750	0.9
130.05110	20.5
130.72392	0.6
132.03038	14.4
142.08749	7.1
156.10344	5.2
157.08720	13.2
174.04102	3.6
210.11275	0.7
218.17340	0.6
228.12325	4.2
240.08765	1.5
254.10315	1.9
272.11414	46.5
273.07584	1.0
273.11810	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	273.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13623	0.9
51.65577	0.9
56.23784	0.9
63.22911	0.8
65.39691	0.8
71.54815	0.9
71.55154	1.2
79.05532	0.8
83.01427	1.0
85.06599	1.3
93.03483	1.1
107.05032	7.5
108.41565	0.9
109.02973	1.2
116.82499	0.9
117.03454	1.2
121.02940	2.7
128.85110	1.1
129.07124	3.1
130.04262	3.3
131.05040	1.3
131.08745	1.3
133.02925	1.1
143.36821	1.1
145.02963	2.6
147.04507	1.0
155.08682	1.0
156.05809	4.4
157.06596	18.1
158.03658	1.6
159.04471	4.6
159.08189	3.3
160.01645	3.6
161.02406	1.3
166.70499	1.2
167.05051	1.0
170.07278	1.5
171.04526	11.8
171.08171	13.9
172.05328	15.2
174.03224	2.3
175.07655	24.6
176.07982	1.3
181.06564	1.7
183.08113	3.3
185.06027	4.5
185.09764	1.4
187.07643	15.9
188.01172	8.4
191.03455	1.2
197.06079	1.8
199.04042	16.0
199.07674	7.6
200.04791	21.5
200.07730	1.0
201.01886	1.4
201.05589	18.1
201.09248	2.8
211.07722	1.7
214.06392	1.7
215.07155	8.5
217.08749	9.8
225.05582	1.9
227.07156	21.2
228.07477	1.1
229.05092	5.0
229.08650	9.2
243.06642	100.0
244.04712	1.3
244.06895	6.8
245.04482	1.6
245.08218	11.5
246.32513	1.1
255.06631	14.7
255.16028	1.4
271.06143	1.9
273.07700	81.6
273.17142	7.0
273.20776	3.7
274.08020	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	273.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23326	0.8
59.01371	2.8
66.25589	0.8
70.00050	2.8
82.18288	0.7
106.44985	0.6
117.03444	0.9
118.04269	0.7
123.04532	0.9
133.02896	0.7
134.03757	2.7
137.02461	0.8
145.02948	1.2
148.01678	1.5
149.34052	0.7
157.06560	1.2
159.04498	1.5
161.02438	2.3
172.05365	0.8
173.02457	9.1
174.03185	1.6
175.07695	1.5
176.01134	3.1
187.04019	4.8
187.07727	1.2
189.01961	3.1
190.02751	15.8
191.03206	0.7
199.03975	1.5
200.04839	0.9
201.01953	42.6
202.02715	10.4
203.03061	1.0
211.04063	2.0
211.16992	3.3
213.15013	5.8
215.03557	12.4
216.00684	3.8
216.04289	35.0
217.04675	1.6
222.01672	3.7
227.07179	2.1
229.05101	6.1
243.06708	3.5
244.07465	1.4
245.08206	100.0
246.08521	6.5
255.06738	1.5
255.19901	0.8
273.07718	87.9
273.17139	8.8
273.20618	1.7
274.08136	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	271.1918
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
52.43980	1.1
59.01389	1.8
59.84505	1.1
63.02391	1.6
63.42689	1.3
71.55209	1.9
91.01899	5.9
93.03468	2.1
107.05083	1.6
108.02177	2.9
109.02953	2.1
112.44701	1.5
118.08379	1.2
119.05003	1.5
125.02453	3.2
130.04242	1.5
133.03003	3.9
169.06595	3.3
176.98840	1.7
201.05582	30.4
202.06204	1.9
209.19116	58.3
210.19499	2.5
227.10789	4.0
227.20273	1.6
239.07161	9.6
239.10812	3.4
253.18108	45.4
254.18498	2.6
271.02472	2.9
271.06104	3.1
271.09756	4.3
271.13342	7.2
271.19193	100.0
271.22714	12.2
272.19476	4.1
289.14410	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	271.2282
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01881	0.9
57.03442	0.3
58.10425	0.2
59.28410	0.2
60.17574	0.2
60.30174	0.2
71.24968	0.6
72.99319	0.6
84.02170	0.3
106.00861	0.2
147.88042	0.3
197.19116	1.3
221.19177	1.2
223.20683	5.4
224.20959	0.4
225.22252	70.8
226.22609	4.6
253.21776	1.4
258.98273	0.3
269.21188	0.5
271.22797	100.0
272.23145	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	271.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27127	0.4
59.01384	4.2
59.02203	0.4
61.09361	0.4
68.99568	0.9
69.43875	0.3
69.95840	1.0
69.96230	0.8
70.01352	0.4
78.51673	0.4
79.58137	0.4
83.14997	0.4
87.70906	0.4
92.99959	0.4
93.03440	0.5
101.06080	0.7
108.02163	1.3
108.23215	0.4
109.02937	0.5
112.98583	1.0
120.63496	0.3
123.04504	0.4
125.02426	1.2
133.69232	0.4
135.04526	0.5
145.38203	0.3
176.98828	1.8
209.19200	0.6
211.17014	1.5
211.20667	1.5
225.22319	1.1
229.18100	0.7
241.04942	0.5
250.58121	0.4
253.21739	1.6
269.21231	0.6
271.02594	0.7
271.06046	0.9
271.22797	100.0
272.23102	6.0
291.68011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2282
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
58.88441	0.2
59.01383	0.6
64.88535	0.2
66.04211	0.3
66.38430	0.3
71.11824	0.8
75.29490	0.3
108.02145	0.4
112.98578	0.4
125.02454	0.7
166.72083	0.3
176.98828	0.6
211.17175	0.3
223.20789	0.3
225.22266	3.6
226.77878	0.3
253.21675	1.3
269.21262	1.0
271.22797	100.0
272.23141	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	271.098
Annotation	2-O-Methylisohemigossylic acid lactone
Peak:m/z	Relative Intensity
52.17834	0.6
55.01876	3.0
59.01405	1.2
71.01383	1.0
71.54953	0.7
73.02946	1.4
83.05088	0.6
89.80641	0.5
91.01908	1.3
93.03480	1.9
95.05035	1.7
105.03471	1.4
108.02177	2.8
109.02992	2.2
112.00077	0.5
112.98554	0.6
121.02994	0.8
122.03707	1.3
123.04518	1.4
125.02486	1.9
129.56815	0.7
135.00894	1.2
135.04556	2.4
136.05310	29.2
137.02402	0.6
137.05649	1.0
139.03935	1.2
151.03976	1.8
153.01929	1.0
161.02483	0.8
168.04311	2.1
169.06712	0.6
171.04518	0.8
171.08115	1.4
183.08189	0.7
183.11813	1.0
185.46335	0.6
198.03195	0.7
199.04068	1.1
204.43819	0.5
213.05577	0.6
227.10788	90.5
228.11099	5.4
241.05145	0.6
243.06631	1.0
253.08778	2.2
256.03571	0.9
256.07520	0.7
271.02365	2.5
271.06335	4.9
271.09763	100.0
271.19202	2.2
271.22751	2.1
272.10110	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	271.0978
Annotation	Ephemeranthol B
Peak:m/z	Relative Intensity
63.02381	0.3
64.29567	0.3
65.00337	0.4
69.34555	1.8
80.02679	1.7
89.60812	0.3
93.03479	0.4
95.01421	0.3
99.35205	0.2
107.01422	1.3
108.02184	46.6
109.02444	0.5
109.03059	0.4
119.05014	1.9
121.02969	4.1
123.04538	100.0
124.04861	2.6
125.02467	0.3
133.02972	1.2
135.00900	0.5
136.01657	1.4
137.02472	2.0
147.04494	0.4
147.50432	0.2
149.02438	1.6
150.03268	0.6
151.00407	1.7
151.03986	0.8
161.02516	0.4
162.03244	1.5
165.01947	14.2
166.02272	0.3
179.03522	10.0
180.04283	3.0
193.06660	1.5
210.06844	0.3
212.03294	1.1
221.06088	1.1
223.07626	0.3
225.09219	0.2
227.03508	0.6
227.07196	0.7
253.08771	1.5
255.02925	0.5
256.03717	1.1
271.06360	2.7
271.09769	60.0
272.10092	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0978
Annotation	4'-O-Methyldavidigenin
Peak:m/z	Relative Intensity
50.52150	0.3
57.01237	0.3
59.01390	0.4
69.62004	1.4
80.02694	1.8
93.03470	0.7
102.54510	0.3
107.01383	0.7
108.02181	49.6
109.02463	0.6
113.64973	0.2
119.05022	0.8
121.02975	3.8
122.03777	0.4
123.04533	100.0
124.04861	3.1
129.87964	0.2
133.02982	1.2
135.00894	0.5
135.04526	0.5
136.01675	1.8
137.02460	1.7
141.16281	0.3
147.00864	0.3
147.04501	0.5
149.02467	1.1
150.03249	1.3
151.04025	0.5
161.02475	0.4
162.03238	1.4
165.01936	14.9
166.02153	0.4
175.42990	0.3
179.03510	10.5
180.04301	2.9
193.06601	1.6
210.06822	0.5
212.03267	0.9
212.08455	0.5
221.06105	1.1
227.07187	0.3
227.10805	0.5
253.08723	1.6
256.07358	0.3
271.09766	62.5
271.19150	1.0
272.10120	4.4
285.35010	0.3
292.73276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0616
Annotation	Isopestacin
Peak:m/z	Relative Intensity
54.41752	0.7
54.82492	0.8
55.45572	0.7
59.01389	1.7
67.01890	1.1
68.99564	1.1
71.54132	1.1
80.02684	3.0
83.04996	0.9
91.01908	33.7
93.03476	2.5
94.04578	0.9
107.01411	5.7
108.02193	21.0
109.02988	1.2
119.05000	0.9
123.00896	2.6
123.04506	2.1
125.02477	2.2
129.82339	0.7
135.00906	32.1
135.04536	2.2
136.01677	16.9
151.04031	2.1
153.01976	11.2
163.00423	1.4
176.98854	1.7
182.36925	0.8
183.04550	2.3
184.05315	7.3
192.59845	0.9
199.03935	1.4
199.07642	8.5
208.90405	0.7
211.04068	3.1
212.04823	2.8
221.12323	0.8
227.03461	1.9
227.07214	10.4
241.05130	1.2
243.02959	1.8
243.06676	8.6
244.07132	1.0
256.03802	2.3
256.07306	2.8
271.02737	5.0
271.06140	100.0
271.09329	3.9
271.19281	3.9
271.22824	2.9
272.06427	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	271.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32949	0.2
58.57426	0.3
59.71140	0.2
69.79704	0.8
69.80114	0.5
91.01907	14.4
91.05519	0.3
92.02258	0.3
98.20636	0.4
107.05047	0.7
108.02190	0.3
109.02984	0.4
116.70905	0.2
134.03757	1.9
134.81905	0.3
135.00911	33.6
135.04539	100.0
136.01292	0.6
136.04851	2.6
153.01949	11.6
153.03163	0.6
154.02335	0.4
161.02444	0.7
165.01900	0.5
194.88416	0.2
253.05112	1.0
271.06152	23.0
271.22922	0.4
272.06479	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	271.0615
Annotation	Isopestacin
Peak:m/z	Relative Intensity
57.03071	0.6
59.01391	0.8
65.56171	0.5
67.01913	0.9
71.01386	0.6
71.54855	0.5
71.55364	0.9
88.04049	1.8
92.83564	0.5
95.01408	1.9
103.00404	0.5
108.02216	0.9
116.02711	1.3
117.03448	0.8
119.12423	0.6
121.02956	1.0
130.04272	1.1
131.05014	0.9
132.02184	10.9
141.03500	2.0
143.05055	1.5
145.02904	0.6
147.04549	2.7
148.01649	1.1
155.05034	0.6
156.02164	0.7
156.05826	9.0
158.03723	2.0
167.05043	5.5
168.05823	7.9
171.04587	3.5
171.08176	1.6
176.01157	9.5
183.04523	21.4
183.08092	1.0
184.05305	33.1
185.05701	2.4
187.04047	1.3
191.03502	11.3
195.04553	0.8
199.04018	1.0
199.07626	4.1
200.04747	1.9
201.09248	2.5
211.03995	5.9
212.04800	100.0
213.05116	3.2
227.07149	49.1
228.04271	3.4
228.07545	2.7
228.12233	0.7
243.06728	3.0
256.03778	11.4
256.84164	0.6
270.99197	1.5
271.03140	1.2
271.06128	21.1
271.11865	1.0
272.06610	1.3
272.11426	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77133	0.4
59.01385	0.9
62.69432	0.5
69.35805	0.4
69.57259	2.3
71.76907	0.4
82.10217	0.4
85.06582	0.8
86.73303	0.4
87.15667	0.4
91.01904	15.4
95.95244	1.2
107.05062	0.7
108.02171	1.0
109.02952	1.1
115.07726	0.4
123.08174	0.7
125.02470	0.6
129.05585	1.0
134.03748	1.5
135.00908	29.6
135.04535	100.0
136.04858	3.1
153.01942	14.4
157.02527	0.4
159.02834	1.3
161.02434	0.9
165.01918	0.7
166.20125	0.4
191.05492	1.4
191.14304	0.5
192.32451	0.4
200.03975	0.6
202.57974	0.4
207.25334	0.4
209.15567	0.8
211.13472	0.4
215.06145	0.4
227.07077	0.7
241.04985	0.4
253.05090	1.8
271.06140	26.3
271.15585	0.9
271.19266	1.6
271.22684	0.7
272.06516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50560	0.4
57.03456	2.7
59.01378	0.6
63.02406	6.5
65.00330	4.6
70.19643	1.4
72.08187	0.4
72.76291	0.4
83.01387	5.7
83.23855	0.4
91.05539	1.4
93.03466	1.0
95.01412	0.4
107.01397	6.2
108.02179	0.8
109.02953	1.1
115.05544	1.5
117.03477	0.8
119.05021	1.5
121.02992	0.6
124.01674	2.3
125.02450	11.8
131.05025	1.0
133.03000	0.4
133.06624	0.5
135.00879	0.7
135.04538	1.1
137.02448	1.5
143.05034	0.4
147.08186	0.9
151.00386	6.6
153.01958	1.1
157.06606	2.1
161.06094	7.2
165.01971	2.4
165.07111	0.6
169.01413	1.0
171.04483	0.6
171.08139	1.1
173.06071	1.1
175.07669	0.9
176.98686	0.4
180.05826	0.8
181.06609	1.7
183.08099	0.7
184.05298	0.6
185.06030	1.9
187.03973	0.4
197.06084	10.1
198.06409	0.6
199.04070	0.5
199.07629	1.3
209.06052	1.6
213.05579	0.9
214.34497	0.4
215.07195	1.7
225.05571	3.7
227.07162	0.9
227.10736	0.7
240.04262	0.6
241.05147	0.8
243.06607	0.9
253.05055	14.2
254.05446	0.8
271.06128	100.0
271.15591	1.4
271.19077	1.7
271.22726	0.8
272.06424	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	271.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46815	0.6
57.55207	0.6
59.01385	1.2
59.42282	0.6
63.04137	0.7
65.00335	0.9
66.99486	0.7
71.54379	0.9
93.03474	3.3
108.02190	1.6
109.02969	1.2
115.99121	0.6
117.03463	1.3
119.05038	2.0
123.04484	0.7
125.02454	1.3
135.04553	1.2
141.07106	1.8
143.05046	15.9
145.02985	1.0
157.06583	3.4
159.08127	3.0
167.05000	4.9
169.06586	1.4
180.05847	3.0
181.06659	6.2
182.07359	2.4
183.04518	4.9
183.08186	5.2
185.04506	1.4
185.06087	17.0
185.07721	0.9
194.22560	0.7
197.06087	3.3
197.12012	0.7
199.07660	0.9
208.05272	4.5
209.06099	13.2
211.03986	5.5
212.04765	4.0
224.04820	1.5
225.05585	10.9
227.07153	55.9
228.07443	3.3
241.05177	0.9
252.04311	2.1
253.05078	100.0
254.05434	6.2
256.03815	1.1
271.06131	61.0
271.15442	1.9
271.19208	1.8
271.22656	1.6
272.06418	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	269.1761
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
57.03447	1.6
59.01384	17.3
63.02411	0.6
69.49097	3.0
69.49511	1.4
71.01390	2.1
72.02171	1.4
73.02953	1.2
77.03963	0.5
79.05555	0.9
80.45241	0.6
85.02963	1.7
87.04523	12.1
91.01875	1.5
93.03467	1.7
95.01438	1.0
95.05047	1.0
97.02964	1.0
98.20641	1.2
99.56807	0.6
106.04260	2.1
107.01431	0.9
107.05029	1.6
108.02178	0.7
109.02982	1.2
111.08187	1.0
113.02475	0.7
117.03481	4.1
119.05039	2.0
120.02137	0.7
121.02975	3.6
123.00922	0.6
123.08173	1.8
123.34162	0.7
125.09770	0.7
133.02916	0.7
134.03741	4.2
135.00888	2.0
135.04539	2.0
137.02495	2.7
141.07047	0.7
149.02461	9.3
151.00369	1.1
151.85774	0.6
153.01907	0.8
153.12918	0.6
155.08701	0.6
165.07082	1.1
165.12794	0.7
169.12517	0.6
179.08644	2.0
179.14470	1.0
181.10254	8.2
181.12357	12.7
181.16006	3.2
183.08127	0.8
186.95612	3.9
189.16534	1.5
197.09677	1.6
205.15942	2.7
207.13904	9.9
207.17627	2.8
209.06065	1.0
209.15479	6.7
210.06985	1.0
210.15750	0.7
211.03969	0.7
213.05714	0.8
221.15547	1.5
223.17076	0.7
225.05658	1.3
225.09218	50.3
225.18698	2.9
226.09651	5.1
232.64163	0.6
233.15553	1.0
241.05072	1.0
241.08833	0.7
241.12247	1.1
251.07358	0.7
251.16586	3.4
254.02170	1.0
254.05934	3.7
254.10614	1.0
269.01788	1.1
269.04584	24.7
269.08200	50.2
269.13409	4.1
269.17593	100.0
269.21066	6.5
269.24905	4.8
270.04996	1.7
270.08524	3.2
270.17953	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	269.1297
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
59.01375	0.5
62.96432	0.5
65.00352	0.4
69.77363	1.1
69.77774	1.3
71.01389	0.7
91.01906	1.5
94.03005	0.6
98.20638	0.7
107.05038	3.8
117.03491	0.8
119.05051	1.0
120.04572	2.1
121.02951	2.0
123.00874	0.5
132.02177	1.8
132.63449	0.4
133.02950	5.1
134.06148	0.8
135.00871	1.5
135.04538	7.9
143.61288	0.4
149.02417	0.6
153.02048	0.5
154.77531	0.4
162.41737	0.4
167.14445	0.5
169.08891	0.5
172.07658	0.6
181.10327	0.9
186.95654	1.7
199.08995	0.5
211.08742	6.1
212.05983	0.7
213.05467	0.5
214.12411	0.6
225.05486	0.6
225.10582	7.7
226.09927	7.4
226.12317	0.9
236.09836	0.6
239.03583	1.5
239.08298	5.7
240.09045	0.9
241.12125	7.4
242.12015	0.5
251.12048	1.2
253.05112	1.1
253.09885	3.8
254.06206	4.0
254.10646	23.4
255.06174	0.5
255.10895	1.3
260.38220	0.4
269.04648	16.0
269.08234	9.5
269.12988	100.0
269.20889	3.8
269.24863	2.7
270.05066	1.4
270.08676	0.5
270.13315	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	269.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01380	0.3
55.01887	0.5
59.01382	1.9
65.00328	0.4
68.60938	0.3
71.01405	0.6
71.46500	0.5
77.03993	0.4
87.04530	0.4
92.56394	0.3
93.03473	1.7
95.01448	0.3
100.04748	0.3
101.03986	0.6
106.04277	1.1
107.01414	0.4
109.02985	0.7
115.04044	0.4
115.05578	1.3
117.02634	0.3
117.03462	1.4
119.05087	0.4
120.47417	0.3
121.03000	1.4
123.00922	0.9
124.01686	4.3
125.12157	0.3
127.35246	0.3
129.67299	0.3
132.02234	0.3
133.02988	0.6
134.03778	1.8
135.00897	0.5
137.02444	2.2
138.31200	0.3
139.07593	0.3
141.07112	3.2
143.08694	0.3
148.01677	5.3
149.02486	3.2
151.00394	0.4
155.08714	2.4
165.07111	0.8
167.08661	3.7
169.06563	0.9
177.07120	2.8
179.08665	1.0
180.05893	0.5
181.06613	0.5
181.10233	4.4
182.10521	0.4
183.08144	5.9
186.95636	0.9
193.06587	4.9
195.08177	7.8
196.08450	0.5
197.06085	0.8
197.09641	0.4
199.03938	0.4
201.05183	0.3
209.06171	0.7
209.15627	0.4
210.06786	0.4
211.07648	14.6
212.08018	1.0
221.06094	12.6
222.06548	0.7
223.07591	0.5
225.09224	23.4
226.09596	1.3
237.09192	0.4
238.06328	0.7
239.07144	100.0
240.07487	5.3
251.16492	0.7
254.09488	63.3
255.09840	3.8
269.01563	0.5
269.04593	10.0
269.08215	20.9
269.11835	23.7
269.17661	3.6
269.21216	2.9
269.24774	1.4
270.05161	1.0
270.08551	1.4
270.12003	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	3-Hydroxy-5-methoxystilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
54.91264	0.2
59.01375	0.4
62.96412	1.8
65.00330	0.6
65.03962	0.5
67.01897	7.7
69.55904	1.4
79.05539	2.4
85.02981	0.3
90.09064	0.3
91.01909	2.8
98.20540	0.4
103.05579	0.3
105.07102	2.1
107.05042	3.9
109.02933	0.4
115.05516	0.3
117.03478	0.6
119.04994	0.4
121.02956	0.3
127.44089	0.2
128.88281	0.2
129.07135	1.3
131.05090	0.5
131.08696	1.8
132.02238	0.2
133.02959	0.8
135.00885	4.0
135.04521	0.7
137.02408	0.3
149.02446	0.3
153.01926	1.6
155.08688	0.4
156.05858	0.4
157.06598	22.2
158.03740	0.3
158.06897	0.7
159.04532	0.5
169.10274	0.6
175.06273	0.4
175.07654	3.6
180.05789	0.4
181.06604	1.9
182.07315	0.7
183.04521	0.6
185.02446	0.9
186.03221	0.6
186.95624	0.3
195.04373	0.4
195.08118	1.2
197.06107	0.6
197.09734	3.4
198.03160	0.3
199.07587	1.8
201.05586	12.6
202.05888	0.6
207.08267	0.3
209.06067	3.9
210.03227	0.3
210.06735	0.7
211.04007	0.6
211.07565	0.5
213.05623	0.2
213.09158	0.5
214.02834	0.4
219.06665	1.1
223.07628	1.2
225.05714	2.2
225.09221	4.3
226.06377	0.5
227.03459	0.5
239.07146	0.3
241.05031	0.3
241.08705	5.7
242.09045	0.4
251.07169	2.0
251.16771	0.3
253.05087	2.1
254.05902	3.8
255.03119	0.3
267.06857	0.3
269.04694	10.6
269.08191	100.0
269.21143	1.3
269.24823	1.0
270.05176	0.6
270.08508	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	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15689	1.3
55.01881	11.3
57.03446	6.3
58.00605	2.6
59.01382	46.7
59.76520	1.6
64.01895	1.5
69.59911	4.6
69.60319	2.9
71.01386	100.0
72.01687	2.0
72.99306	4.9
73.02953	40.2
83.01392	18.5
84.02233	1.2
85.02961	48.7
85.03476	2.9
87.00888	4.6
89.02473	3.0
95.01393	4.8
95.33038	1.3
95.56039	1.4
97.02951	3.0
99.00889	16.1
101.02451	74.9
102.02806	1.6
107.01355	1.6
113.02461	39.9
114.02807	1.7
117.03436	1.6
121.02976	8.2
125.02461	2.1
129.01942	2.6
135.90639	1.3
143.03578	2.0
159.03021	8.1
161.04572	22.9
269.04605	12.0
269.10254	8.4
269.13232	2.8
269.17715	3.2
269.21170	1.8
269.24628	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1032
Annotation	Pentamethoxyacetophenone
Peak:m/z	Relative Intensity
53.36787	0.6
57.03456	9.1
59.01387	1.1
60.48363	0.7
66.08138	0.6
70.66673	1.3
71.01381	3.6
72.99319	4.3
74.05724	0.6
75.00844	0.7
81.43316	0.6
83.05023	0.7
87.00896	1.2
88.42587	0.6
93.03490	1.3
96.96011	0.9
97.97384	0.6
98.20596	0.6
105.07110	1.5
107.05041	4.7
108.04590	1.1
109.06599	4.9
121.02972	13.3
123.04572	1.3
123.08179	94.3
124.08517	2.9
129.01895	0.8
135.08186	0.8
137.09731	3.0
147.03070	1.1
147.08153	1.5
151.07666	1.8
151.11319	1.6
153.12865	5.7
163.07697	0.9
163.11302	8.3
177.09233	1.4
179.10796	6.6
197.11882	0.9
207.10229	5.2
225.11339	100.0
226.11664	5.5
241.05101	0.7
251.09329	1.1
269.04605	4.0
269.10342	64.3
269.21414	1.5
269.24692	1.3
270.10687	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	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	10.3
56.07215	1.5
57.03434	8.8
58.00623	2.0
59.01387	59.1
67.32954	1.6
70.15917	1.5
71.01389	100.0
71.55300	2.8
72.01744	1.7
72.99309	3.1
73.02953	38.9
79.96643	1.7
83.01393	20.2
84.02208	2.0
85.02956	56.2
87.00884	3.0
89.02468	5.0
95.01381	8.0
99.00873	15.3
101.02457	82.9
102.19101	1.7
104.05077	2.1
108.58624	1.6
113.02460	44.1
117.02654	1.6
117.03487	1.9
121.02974	2.6
123.41254	1.6
125.02498	2.1
129.01961	3.2
133.02921	2.2
143.03499	2.5
155.80220	2.0
159.03001	9.8
161.04597	28.7
174.54048	1.4
190.70441	1.4
245.64369	1.5
269.04578	21.1
269.10635	7.6
269.13171	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0822
Annotation	3-Hydroxy-5-methoxystilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
50.15967	0.4
64.41564	0.4
67.61599	0.5
69.51479	2.8
73.02955	2.0
75.60316	0.4
83.05000	0.5
85.02940	0.6
91.01904	13.5
92.02703	0.7
93.03428	0.7
95.01384	2.7
95.02415	0.4
107.01385	1.0
107.05003	0.7
108.02190	11.2
109.02943	1.1
109.73598	0.5
117.03483	1.9
119.05040	52.0
120.05367	1.7
121.02960	0.9
123.00897	0.6
133.02937	0.9
135.00906	11.2
145.02911	1.4
148.01680	35.4
149.02097	0.6
152.91776	0.6
153.01920	3.2
161.02446	0.8
180.00662	29.4
181.00919	1.0
183.01276	0.8
184.05298	1.3
186.95618	2.9
207.17525	0.8
209.06042	0.8
210.06859	0.7
211.04024	1.2
212.04823	1.1
225.05550	1.2
225.09167	2.7
226.06406	0.9
227.07124	2.5
237.05534	0.8
251.16496	0.6
253.05078	2.9
254.05867	18.9
255.06169	0.6
266.67453	0.5
269.04721	9.1
269.08203	100.0
269.17792	2.8
269.21091	3.2
269.24396	2.1
270.05438	0.7
270.08569	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	269.0822
Annotation	4'-Methylliquiritigenin
Peak:m/z	Relative Intensity
57.03449	0.8
59.01389	0.7
62.17825	0.3
62.33665	0.3
63.02403	0.4
65.00324	0.7
65.42805	0.3
65.43154	0.4
69.95273	0.4
71.01403	0.5
83.05028	0.4
85.02951	0.4
85.06590	0.4
87.04517	2.5
91.01904	42.9
92.02247	0.9
93.03443	0.5
93.12988	0.3
95.05004	0.4
98.19865	0.6
101.06090	1.0
117.03467	0.6
121.02944	1.4
132.02182	1.4
133.03023	0.6
135.00896	79.9
135.08168	0.5
136.01201	2.4
143.05003	0.6
145.10254	0.5
148.01712	0.8
153.01950	19.3
154.02228	0.8
163.11259	0.6
169.06601	1.4
180.00616	0.4
183.04475	0.5
195.04454	0.5
197.06062	0.6
212.04382	0.5
213.05527	1.1
224.04886	0.6
225.05588	1.3
226.02672	0.8
233.15469	0.9
239.03510	2.1
240.04126	0.5
241.05061	1.8
251.16455	1.4
254.02275	0.6
254.05887	12.3
255.06224	0.6
269.04599	16.6
269.08176	100.0
269.17587	11.9
269.21185	1.3
270.05048	1.4
270.08539	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	269.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84714	0.4
65.00339	1.0
69.61435	3.1
70.62312	0.5
76.25314	0.5
79.01856	0.6
85.02960	0.5
91.01903	37.0
92.02245	0.8
98.19957	0.7
107.01409	0.7
107.58977	0.4
117.03523	0.6
121.02949	1.2
132.02103	1.0
133.02980	3.3
135.00897	72.6
136.01241	1.7
148.01706	0.6
153.00710	1.1
153.01942	15.2
154.02281	0.7
161.51990	0.4
186.95706	0.4
188.96283	0.5
205.12140	0.5
225.05635	0.7
225.09122	0.5
226.02745	0.9
239.03514	1.8
241.05051	0.5
254.05876	10.3
255.06094	0.8
269.04654	13.7
269.08197	100.0
269.17593	2.8
269.24915	0.9
270.05344	0.7
270.08566	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	269.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
55.93745	0.4
57.03456	0.7
59.01394	2.8
59.84606	0.4
65.00329	0.5
68.99836	0.8
69.03466	0.5
69.51408	2.8
71.01402	0.8
73.02944	0.5
77.03984	0.4
79.05531	1.1
83.01392	0.4
85.02951	0.7
86.44870	0.4
87.04526	1.8
90.97132	0.5
91.01900	1.4
93.03491	1.2
95.01394	0.6
96.95975	0.4
97.02927	0.5
106.04247	3.1
107.01434	0.6
107.05063	0.6
108.02168	0.8
109.02922	1.5
111.08221	0.4
115.04013	0.8
115.05553	1.2
117.03473	1.4
119.05012	0.6
121.02970	5.0
123.00899	1.5
124.01685	2.9
133.02957	0.8
134.03741	6.8
135.00879	1.3
136.01665	0.9
137.02481	4.4
141.07140	2.7
148.01691	2.9
149.02448	15.7
151.00356	0.9
155.08621	2.2
158.03769	0.7
165.01909	0.4
165.07089	1.1
167.08656	1.6
169.06624	2.2
171.04619	0.5
171.08267	0.5
177.07126	1.5
179.08690	3.0
180.74530	0.4
180.76425	0.4
181.06686	0.9
181.10240	19.3
181.12473	0.9
182.07359	1.0
182.10501	0.9
183.08154	5.0
185.06207	0.6
186.95634	1.5
193.06638	3.7
195.04462	0.6
195.08189	4.4
197.06087	1.3
197.09773	2.5
198.03142	0.5
199.03983	0.4
205.15999	0.4
207.13910	1.1
209.06064	1.2
209.15518	0.5
210.06874	1.0
211.04187	0.6
211.07655	8.1
212.08066	0.5
221.06088	7.1
222.06464	0.8
223.07681	1.2
225.09224	100.0
226.02852	0.5
226.09547	6.1
239.07150	53.2
240.07501	3.0
241.04993	1.2
251.16489	0.7
254.05896	4.3
254.09496	32.8
255.09802	1.9
269.04636	15.7
269.08209	85.1
269.11740	11.4
269.17621	13.0
269.21237	3.5
269.24832	2.1
270.05447	0.8
270.08563	5.2
270.11600	0.7
270.18015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0821
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
55.67321	0.4
57.97987	0.4
59.01382	1.2
60.37419	0.4
63.02399	1.7
65.00331	18.4
66.00681	0.4
68.99825	1.2
71.01409	0.4
71.05020	0.5
71.54668	0.4
71.55061	0.4
72.99277	0.4
73.02925	0.5
75.91766	0.4
80.34397	0.4
83.01417	0.7
85.02950	0.5
89.00352	4.5
91.01896	4.0
93.03465	5.5
94.00606	0.8
97.02959	11.0
104.36552	0.4
107.01412	2.2
107.05073	0.6
108.02201	1.1
110.00088	1.2
117.03474	7.4
119.05077	0.6
121.02966	20.4
122.00064	0.7
124.01656	0.7
133.02966	1.6
134.03786	1.0
135.00974	0.5
139.04001	0.9
145.03041	0.5
149.02448	3.4
149.06100	1.6
149.99599	8.9
151.00352	2.8
151.11328	0.4
159.04539	0.8
161.02579	0.5
163.00414	0.7
165.01936	18.0
169.06612	1.1
174.24266	0.5
177.01968	1.8
181.06696	0.9
183.03018	1.0
183.04544	0.9
184.05304	9.3
185.02417	0.5
185.05896	0.4
185.30156	0.5
186.95673	0.9
196.05211	0.4
197.06160	0.8
201.05609	0.8
207.17580	0.5
209.06096	1.1
211.04012	0.9
212.04790	3.0
224.04851	0.7
225.05533	3.7
225.09196	0.6
225.14980	0.5
226.02687	0.4
226.06345	3.8
227.03571	1.0
227.07144	10.7
228.07547	0.6
239.03561	0.9
240.04233	0.5
241.04935	1.1
251.16367	1.0
253.05115	4.7
254.05862	16.1
255.06303	1.1
269.04617	42.0
269.08209	100.0
269.17697	3.7
269.21231	3.8
269.24841	2.3
270.04938	3.3
270.08572	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	269.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56861	0.7
54.14672	0.7
59.01384	1.2
62.96409	0.8
65.00328	1.2
65.40945	0.7
71.01405	1.0
79.30738	0.7
81.66364	0.7
83.95440	0.6
89.48090	0.8
91.01331	1.0
91.01907	20.9
93.03495	1.6
93.91397	0.8
107.01430	1.2
107.05049	3.1
108.02209	0.9
113.02409	0.9
117.03465	1.5
119.05052	1.6
119.30783	0.7
121.02974	31.5
132.02191	30.8
132.03210	1.5
132.98270	1.0
133.02994	7.8
135.00912	21.8
135.04538	6.5
137.02455	1.3
147.04544	4.7
149.02400	1.2
153.01958	7.6
155.64320	0.8
160.67395	0.8
161.02425	1.1
184.05249	2.0
186.95641	2.4
196.05353	0.8
197.02808	2.2
197.06047	1.1
199.07645	1.3
209.06117	1.8
210.06845	1.0
211.04050	2.6
225.05565	2.7
225.09218	3.1
226.06265	0.9
226.09984	6.7
229.95607	0.9
239.03514	32.4
240.03918	1.6
241.12296	6.0
253.05069	12.8
254.05855	18.1
255.06291	1.0
269.04633	25.0
269.08215	100.0
269.11896	10.6
269.17599	5.3
269.21246	4.8
269.24820	2.8
270.05374	1.3
270.08551	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	269.0668
Annotation	phenyl glucuronide
Peak:m/z	Relative Intensity
57.03435	0.9
59.01376	3.7
61.36575	0.9
71.01377	1.9
74.02497	2.0
74.24731	0.8
76.57180	0.8
87.00878	9.8
88.04111	1.8
93.03466	2.2
96.89283	0.8
96.96015	1.0
98.02502	2.5
108.02209	1.5
109.02988	1.1
121.02986	3.1
122.03731	5.3
123.00884	0.8
123.08184	11.9
127.35971	1.0
131.05043	1.5
136.01657	3.2
136.05344	2.3
137.02435	4.5
137.06104	16.1
138.87045	0.8
140.07150	4.6
148.05318	39.1
149.02408	6.1
149.05748	1.1
150.03194	1.8
151.04036	2.5
153.12827	1.1
163.07626	1.9
163.11305	1.6
164.04785	6.7
165.05525	1.7
172.25308	0.9
179.07155	29.8
181.05074	1.6
192.04292	10.2
207.06638	39.0
208.06946	0.9
209.04556	59.7
210.04887	2.9
225.05740	1.2
225.07811	5.5
225.11282	16.1
251.05591	2.6
254.05814	1.3
269.06689	100.0
269.10184	8.9
269.21234	2.5
269.24860	1.6
270.07001	4.9
270.09711	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	269.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03456	2.8
59.01387	2.1
69.38146	1.3
69.38567	2.1
71.01395	4.5
72.99324	1.3
73.02949	1.5
75.00869	0.7
83.01398	0.6
85.02958	1.8
87.00864	0.8
89.02442	0.9
99.00872	2.2
101.02462	3.0
105.07113	0.5
107.05035	1.4
109.06601	1.2
113.02464	1.2
121.02968	100.0
122.03319	2.7
123.04578	0.6
123.08179	27.0
124.08514	0.6
129.01979	3.4
137.02480	1.6
137.09747	0.9
147.03033	5.7
151.07640	0.5
153.12885	1.7
161.04520	0.9
163.07597	0.5
163.11263	2.8
177.09265	0.6
179.10805	2.4
207.10284	1.9
223.09642	0.5
225.11345	29.6
226.11699	1.4
241.04898	0.6
269.04370	2.1
269.10349	20.1
269.21359	0.6
270.10751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99538	0.3
57.03444	0.3
59.01373	0.8
65.00307	0.3
69.31544	2.4
77.03954	0.3
83.16782	0.3
89.03970	0.6
91.01907	7.9
92.02238	0.4
93.03485	0.5
105.03461	0.9
109.02943	0.8
109.41187	0.3
117.03456	0.3
123.04530	0.4
132.02206	1.2
133.02972	42.7
134.03319	1.1
135.00900	12.9
143.05016	0.5
149.02490	0.3
153.01978	2.3
157.06546	0.6
159.04539	0.3
161.02464	0.8
167.05048	0.5
169.06610	1.8
171.04539	0.7
173.06041	0.3
180.05772	0.5
182.03743	0.4
183.04472	0.7
184.05023	0.4
185.06099	0.7
194.98796	0.3
195.04495	1.6
196.05264	1.4
197.06110	2.8
198.03246	0.5
199.03998	1.4
201.05560	2.6
207.86653	0.3
208.05226	0.5
211.04062	1.2
212.04741	0.5
213.05603	4.2
223.04034	1.5
224.04735	2.1
225.05533	3.0
226.02753	0.6
227.03488	2.8
239.03496	0.8
240.04240	1.0
241.05156	3.5
251.03413	0.6
252.04263	0.6
254.05283	0.4
267.03070	0.5
268.03772	0.5
269.04568	100.0
269.17584	1.3
269.24728	0.5
270.02261	0.5
270.04932	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	269.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06955	0.7
57.03453	1.0
59.01365	1.4
66.69052	0.7
69.67313	4.2
71.01395	2.4
73.02966	2.5
76.02075	0.7
85.29484	0.9
87.00878	1.6
89.02432	1.2
89.51190	0.8
93.03468	41.2
94.03819	1.3
96.96029	1.8
101.02454	1.8
107.05029	1.8
120.69237	0.8
121.02972	100.0
122.03321	2.5
123.08164	3.7
130.08784	1.1
137.02463	93.9
138.02823	2.3
140.07176	5.1
148.05292	2.0
149.04587	2.6
151.04010	2.8
164.04758	1.2
168.41223	0.8
177.02078	0.9
177.35600	0.8
177.58327	0.8
179.07164	2.5
180.16437	0.7
203.84818	0.9
207.06595	1.4
209.04535	4.2
225.11320	4.8
254.05775	0.9
269.04562	0.7
269.06741	6.7
269.10471	3.4
269.21307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.3
63.02404	2.4
65.00070	0.2
65.00342	2.0
69.31284	0.9
69.31710	0.7
83.01386	0.3
83.92513	0.2
89.00323	0.4
91.01910	1.3
91.71839	0.2
107.01399	2.0
117.03473	0.5
123.04533	0.5
127.58825	0.2
132.02179	0.9
133.02974	7.2
135.00902	0.7
135.04520	1.7
143.05061	0.2
151.00348	0.5
155.05028	0.7
156.05833	0.3
156.07031	0.2
157.02948	1.1
157.06560	0.3
159.04533	2.7
161.02444	0.5
167.05109	0.2
169.06630	1.1
171.04558	0.5
173.06065	0.3
176.01099	0.2
178.90271	0.2
180.05832	1.4
181.06616	2.1
182.03746	0.4
183.04541	1.9
195.04457	0.5
196.05339	0.7
197.06137	1.3
199.03992	0.7
201.05612	2.0
211.03938	0.3
213.05586	1.1
223.03979	0.4
224.04807	1.8
225.05498	1.7
226.02650	0.2
227.03543	0.8
232.59319	0.2
239.03391	0.3
240.04359	0.4
241.05064	1.3
254.05705	0.2
269.04568	100.0
270.04910	6.8
285.65729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08432	0.1
59.07894	0.1
63.02403	5.3
64.02728	0.1
65.00323	2.5
69.51678	0.7
79.01901	0.2
81.03442	0.2
83.01378	0.7
89.00333	0.2
89.26748	0.1
91.01869	0.1
92.00488	0.1
93.03469	0.9
105.03452	0.7
107.01398	4.5
110.10406	0.1
117.03473	11.8
118.03819	0.5
121.02957	0.6
131.05070	0.3
131.39447	0.1
132.02182	0.2
133.02972	0.3
135.04541	0.9
141.03406	0.1
143.05045	0.1
145.02977	0.2
148.01610	0.2
149.02451	2.5
151.00371	3.1
155.05014	0.4
157.06610	0.4
158.03722	0.3
159.04529	3.7
161.02451	1.5
169.06595	0.9
171.04517	0.5
171.20070	0.1
173.06039	0.2
176.01180	0.4
180.05815	0.5
181.06584	1.2
182.03740	0.4
183.04521	1.9
185.02365	0.1
195.04558	0.3
196.05283	0.7
197.06097	1.1
199.04018	0.4
201.05597	1.4
203.03526	0.2
209.02444	0.1
210.03310	0.2
213.05597	0.4
224.04913	0.7
225.05585	2.4
226.05885	0.2
227.03522	1.3
240.04250	0.2
241.05109	0.4
268.03754	0.3
269.04556	100.0
270.04895	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	269.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.3
63.02406	1.5
65.00332	1.1
69.42635	0.6
69.43061	1.0
83.01400	0.4
88.04033	0.5
89.00320	0.3
89.03996	0.3
91.01904	4.4
91.02448	0.4
107.01397	1.1
107.81030	0.2
109.03024	0.4
117.03493	0.7
123.04549	0.5
124.05306	0.3
132.02190	1.3
133.02966	39.7
134.03316	1.3
135.00890	7.1
135.04517	0.6
136.01228	0.3
144.24846	0.2
149.02434	0.3
151.00374	0.5
153.01953	1.2
155.05046	0.4
157.02950	0.6
157.52635	0.2
159.04543	1.3
163.67024	0.2
169.06628	0.5
171.04530	0.4
173.06010	0.5
180.05835	1.0
181.06670	1.2
182.03806	0.3
183.04561	1.2
185.06216	0.3
195.04437	0.2
196.05202	0.7
197.06090	1.0
198.03223	0.2
199.03993	0.7
201.05614	1.8
211.03989	0.4
211.62981	0.2
213.05608	0.6
224.04800	1.7
225.05315	1.9
225.08836	0.2
226.02698	0.5
227.03490	1.5
240.04161	0.4
241.05165	1.3
254.05788	0.4
269.04565	100.0
269.17621	0.8
269.21094	0.6
270.04929	6.9
270.17163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0458
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.27502	0.3
52.14645	0.3
54.96906	0.3
63.02401	3.2
65.00329	3.0
77.70256	0.3
80.54713	0.3
83.01379	0.9
89.00340	0.3
91.01877	1.7
93.03468	0.4
105.03453	0.6
107.01402	4.2
108.02171	1.3
117.03470	8.8
121.02962	2.0
123.04568	0.6
132.02184	1.4
133.02974	6.5
135.00899	0.9
135.04520	1.1
143.24646	0.3
149.02438	3.7
151.00366	3.9
151.88675	0.4
155.05058	0.8
157.02965	1.0
157.06654	0.3
159.04552	3.1
161.02425	0.5
167.05116	0.5
169.06671	0.8
171.04506	0.8
180.05824	1.5
181.06651	2.7
182.03777	0.4
183.04514	2.7
185.06116	1.8
186.06815	1.3
195.04572	1.3
196.05292	0.8
197.06084	1.0
198.06895	0.7
199.03970	0.6
201.05580	1.7
208.05334	0.3
209.06084	3.8
210.06866	3.8
211.04041	3.8
212.04633	0.7
213.05597	0.7
224.04831	1.3
225.05589	5.1
226.06303	1.4
227.03510	1.5
237.05602	0.5
239.03542	2.5
241.05080	0.8
253.05066	4.4
254.05864	48.7
255.06255	3.0
269.04575	100.0
269.08148	29.0
270.04910	6.7
270.08466	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2332
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
52.71241	4.4
55.12539	4.7
61.60215	4.6
65.00343	9.5
65.28563	4.4
70.71516	9.4
70.71892	8.5
71.01410	4.0
71.42266	4.3
73.77612	5.2
89.00348	6.7
91.01952	4.8
96.96011	4.9
98.95602	12.1
107.01372	7.2
116.85768	4.9
139.99620	4.6
143.98932	4.8
151.47614	4.4
157.94006	4.4
178.99728	7.5
194.99391	4.9
222.98863	6.2
238.98407	6.4
252.04315	11.0
267.06641	13.7
267.14792	6.1
267.23300	100.0
268.23425	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	269.0457
Annotation	Emodin
Peak:m/z	Relative Intensity
57.03415	0.5
59.01377	1.5
62.96421	9.7
63.02412	0.6
65.00323	1.0
67.01878	0.9
71.01372	1.0
71.54903	0.7
83.01390	0.8
85.02962	0.5
90.97148	0.7
91.01903	1.3
93.03470	0.6
101.03979	0.7
107.01437	0.5
108.02208	1.3
115.05577	0.6
117.03500	1.8
119.05053	2.4
121.02976	1.2
133.03011	1.3
135.00879	1.7
141.07109	1.3
143.05029	1.4
145.02953	0.7
148.01680	1.8
149.02438	1.4
151.00331	0.9
152.91772	0.7
155.05038	0.8
157.06586	0.6
169.06560	2.7
171.04506	1.7
180.00694	0.9
181.06552	0.6
182.03752	0.8
183.04454	0.8
185.06006	1.0
186.06599	0.5
186.95602	4.8
195.04550	1.0
197.06110	1.9
198.03189	1.2
199.03998	1.1
209.06102	0.6
210.03261	0.5
210.06949	0.8
211.04094	1.1
213.05545	2.2
221.15422	1.0
223.04068	1.3
224.04805	0.8
225.05666	2.2
225.09222	2.6
225.14987	0.5
226.02762	0.7
226.06139	1.3
227.01247	0.5
227.03481	1.4
239.03535	1.3
241.05058	1.2
251.12624	0.5
253.05016	0.8
254.05814	12.9
255.06174	0.7
269.04587	100.0
269.08105	13.0
269.12875	5.7
269.17947	2.9
269.21063	5.1
269.24756	3.1
270.04962	6.8
270.08493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.7
57.03460	5.7
58.00612	3.1
59.01384	100.0
60.01707	1.2
69.03479	0.8
69.45768	4.5
71.01389	98.2
72.01736	0.9
72.99310	5.3
73.02954	27.9
75.00879	2.5
83.01394	15.6
84.02181	1.0
85.02961	41.0
87.00891	6.8
87.04526	2.5
89.02454	43.3
95.01407	6.5
97.02946	2.2
99.00887	10.3
101.02453	85.9
102.02789	1.7
103.03977	1.1
105.01888	1.3
105.05589	15.1
113.02457	43.1
114.02836	1.2
116.15642	0.7
119.03503	15.6
125.02408	2.2
129.01924	1.8
131.03479	1.2
135.06630	1.0
139.05121	1.7
143.03508	4.7
149.04489	1.7
159.03001	8.4
161.04572	45.2
162.04831	1.0
179.05550	3.0
201.21698	0.7
216.66122	0.6
258.34732	0.7
267.07086	7.1
267.10675	37.4
268.13300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.3
57.03450	7.0
57.84350	1.3
58.00594	4.7
59.01384	100.0
69.46263	1.3
69.46796	10.1
69.47161	1.4
71.01389	92.7
72.01724	1.7
72.99310	4.8
73.02952	31.6
75.00888	1.6
77.82596	1.3
83.01397	12.8
85.02958	40.4
87.00900	4.6
87.04530	1.7
89.02451	39.1
95.01384	7.5
98.19940	2.8
99.00877	11.8
101.02451	80.9
102.02791	1.9
103.04028	1.7
105.05588	13.1
113.02462	41.6
119.03522	16.4
125.02473	1.6
129.01920	2.4
139.05074	1.5
143.03456	4.6
158.91412	1.5
159.03008	8.1
161.04568	54.9
161.05911	3.2
161.29234	1.2
162.04918	1.8
174.40549	1.5
179.05609	2.3
220.63618	1.3
267.07498	2.1
267.10886	34.3
268.12988	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	267.1969
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01887	1.4
59.01368	1.6
63.40455	0.6
63.40789	0.7
65.00359	0.8
69.03469	5.7
69.36412	1.1
69.36813	5.1
71.01386	1.6
71.05037	11.6
80.02693	1.7
81.03487	1.7
83.05042	1.4
89.02449	0.8
91.01890	1.1
97.06596	1.2
98.95606	1.3
101.02448	2.0
112.43591	0.7
121.02979	1.2
132.02187	0.9
135.00938	0.7
140.83572	0.7
149.72897	0.8
193.16064	1.1
195.17516	1.4
221.19110	3.0
223.04030	2.1
223.07576	0.7
223.20689	100.0
224.21034	5.4
251.03429	0.8
252.04337	8.2
253.04547	0.8
265.25980	0.7
267.06638	9.4
267.19672	56.6
268.20001	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	267.0724
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
54.83392	0.4
55.01885	1.4
57.03455	3.4
57.19368	0.4
58.00589	0.8
59.01385	24.2
59.07771	0.4
67.01894	0.5
68.99783	0.4
69.90362	2.1
71.01387	33.7
72.01723	0.4
72.99303	4.0
73.02946	1.8
75.00880	16.4
75.01310	0.9
77.31062	0.4
79.96435	0.4
83.01407	1.4
84.02145	0.6
85.02959	32.1
87.00883	19.6
88.01150	0.4
89.02450	9.8
91.04031	1.1
95.01386	5.7
97.33684	0.4
99.00887	9.6
101.02448	2.5
103.00391	2.5
105.01260	0.6
105.01936	5.0
111.00907	0.6
112.01672	0.5
113.02460	39.8
114.02792	1.2
115.00386	1.9
117.01956	2.0
119.03559	0.7
129.01956	2.1
131.03513	1.1
149.04507	0.7
152.91676	0.4
155.05928	0.4
157.01414	1.2
175.02441	2.1
178.93321	1.2
205.07158	0.8
207.05106	1.7
220.94427	0.7
237.06172	1.7
249.06169	4.4
267.07220	100.0
268.07568	4.6
286.12653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20409	0.2
59.01450	0.4
61.10987	0.2
62.54193	0.3
65.03136	0.2
69.63515	0.5
69.63932	1.3
81.47794	0.3
91.01900	3.0
92.97579	0.2
102.21239	0.3
108.02225	0.4
113.21999	0.3
119.01405	1.5
132.02185	8.6
133.02588	0.3
135.00888	6.9
153.02029	1.1
155.05034	0.3
157.76561	0.3
167.05046	1.3
177.06323	0.3
180.05751	0.4
182.03728	0.6
183.04593	0.9
195.04509	7.5
196.05249	1.2
208.05272	4.6
209.05598	0.4
210.03276	0.8
211.03998	2.5
223.04008	21.1
224.04749	7.1
239.03508	31.9
240.03877	2.2
251.03520	12.6
252.04288	100.0
253.04630	6.7
267.03104	11.0
267.06619	88.7
268.03659	2.8
268.06976	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	267.0665
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
50.85213	0.1
55.03942	0.1
55.21309	0.1
63.36277	0.1
64.84982	0.1
71.93030	0.1
83.70830	0.1
91.01884	1.4
91.02365	0.1
104.02691	0.2
108.02161	0.4
126.06065	0.1
132.02182	9.5
133.02505	0.2
135.00890	4.5
136.01283	0.1
141.74669	0.1
153.01949	0.5
155.05061	0.3
167.05040	0.6
168.05775	0.1
180.05811	0.5
183.04517	0.3
184.70825	0.1
195.04523	7.3
196.05151	1.0
203.72148	0.1
208.03346	0.3
208.05301	4.7
209.05525	0.1
211.03989	0.4
223.04010	22.0
224.04726	6.7
225.05046	0.4
239.03496	2.3
251.03505	14.3
252.04285	100.0
253.04625	6.4
253.06894	0.1
267.06625	90.5
268.04019	0.3
268.06958	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	267.0664
Annotation	5-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
50.51298	0.3
59.01370	1.2
66.30643	0.3
69.56970	1.5
69.57379	0.8
71.01384	1.0
73.02934	0.4
75.48135	0.3
80.47731	0.3
89.02458	0.5
91.01901	3.1
98.20603	0.7
101.02465	0.8
108.02199	1.2
113.02468	0.4
117.03478	61.8
118.03822	1.5
132.02190	2.3
134.03745	0.3
135.00900	10.4
136.01186	0.4
137.45853	0.3
147.04518	2.2
153.01958	1.2
161.04605	0.4
167.05034	0.4
180.05789	0.5
182.03780	0.8
183.04485	0.6
195.04445	2.5
196.05280	1.5
197.64978	0.3
198.03134	0.6
200.94720	0.3
205.95198	0.4
210.03203	0.6
211.04068	1.5
212.40002	0.3
221.17593	0.3
223.04015	8.4
224.04811	5.4
239.03510	3.6
249.14807	0.4
251.03604	2.0
252.04300	84.8
253.04637	5.0
267.03210	6.1
267.06628	100.0
267.15884	2.1
268.03741	2.0
268.06961	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	267.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
61.52798	0.2
71.55008	0.3
79.01923	0.2
80.10100	0.2
85.02979	0.3
88.54234	0.2
89.02534	0.3
91.01898	1.3
91.49144	0.2
94.77214	0.2
96.96040	0.3
101.02496	0.4
103.07825	0.2
108.02196	0.5
113.02452	0.3
132.02185	9.6
132.03183	0.5
133.02589	0.2
135.00896	4.2
135.01817	0.4
145.03070	0.2
151.00420	0.3
153.01941	0.3
167.05086	0.7
169.01480	0.4
180.05873	0.5
183.04536	0.3
195.04529	7.6
196.05092	0.7
208.05296	4.0
223.04019	21.8
224.04758	6.3
225.05138	0.4
230.84587	0.2
237.05446	0.6
239.03520	1.9
251.03532	14.4
252.04295	100.0
253.04620	6.0
267.06635	96.0
268.04108	0.3
268.06976	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	267.0664
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
50.85438	0.1
54.61222	0.1
60.74317	0.1
61.17518	0.1
70.01070	0.3
70.01482	0.5
75.40244	0.1
81.61198	0.1
91.01899	1.6
104.02693	0.3
108.02181	0.2
117.03493	0.1
132.02187	9.7
133.02472	0.4
135.00899	4.6
143.46469	0.2
153.01932	0.5
167.05031	0.6
168.05727	0.2
180.05847	0.6
195.04527	8.0
196.05284	0.8
208.05322	4.1
209.05638	0.4
223.04025	22.2
224.04752	7.0
225.05188	0.4
239.03366	0.4
251.03513	14.8
252.04294	100.0
253.04630	5.6
253.07278	0.3
267.06638	85.6
268.04019	0.3
268.06973	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	267.0299
Annotation	Coumestrol
Peak:m/z	Relative Intensity
58.41636	0.2
59.01387	0.6
63.81660	0.2
69.45395	1.5
72.91418	0.3
91.01897	4.5
108.02223	0.5
119.01398	2.8
132.02185	9.2
135.00896	10.2
136.01274	0.3
148.72487	0.2
151.07631	0.3
153.01953	1.0
155.05070	0.8
167.05051	1.4
180.05763	0.5
182.03804	0.9
183.04585	1.3
195.04514	8.0
196.05170	0.8
208.05319	4.2
210.03297	1.2
211.04018	4.0
223.04012	20.7
224.04774	6.5
225.05171	0.3
239.03516	49.5
240.03917	2.6
251.03513	13.6
252.04291	100.0
253.04622	4.5
267.03098	17.8
267.06647	88.2
268.03677	3.5
268.07007	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	267.03
Annotation	Coumestrol
Peak:m/z	Relative Intensity
54.80554	0.2
56.51252	0.3
59.01354	0.8
68.62669	0.2
91.01324	0.3
91.01892	6.2
98.19853	0.6
104.02659	0.5
106.94515	0.2
107.78061	0.2
108.02175	0.4
113.02377	0.2
119.01403	4.5
132.02180	10.3
133.16531	0.3
135.00893	13.5
139.05507	0.3
151.34811	0.2
151.39914	0.3
153.01929	2.1
155.05046	1.3
160.81593	0.2
167.05011	2.0
180.05791	0.5
182.03775	1.5
183.04478	2.9
184.05231	0.3
185.02437	0.4
193.34355	0.2
195.04506	9.1
196.05136	0.8
208.05299	4.2
210.03232	1.9
211.04008	6.8
212.04503	0.5
223.04008	22.9
223.13490	0.3
224.04742	6.5
229.86159	0.3
239.03502	73.3
240.03854	4.2
251.03485	14.4
252.04282	100.0
253.04608	4.2
267.03055	28.7
267.06625	90.0
268.03668	5.6
268.06976	4.5
287.59848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2175
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
51.66142	0.3
59.01371	1.1
65.00300	0.3
69.24213	2.6
89.02457	0.3
96.95384	0.6
96.96017	10.7
163.03984	1.0
196.56052	0.3
241.59097	0.3
265.14984	8.2
265.21735	100.0
266.15170	0.4
266.22110	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	266.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96339	0.3
59.01387	0.5
65.41154	0.3
69.36344	0.5
69.36749	2.1
69.58380	0.3
71.01396	0.3
89.02397	0.3
91.01897	1.2
93.03457	4.2
96.96059	0.4
98.20102	1.2
118.03004	13.1
119.04998	0.3
120.04568	0.7
134.70361	0.3
135.00923	0.4
136.04060	100.0
137.04408	2.6
140.95888	0.3
143.44505	0.3
146.06143	9.2
162.05658	2.5
190.05078	0.6
203.79977	0.3
209.31911	0.4
211.04131	0.4
234.04054	1.8
239.03506	2.9
240.24667	0.4
267.03055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1811
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
57.03455	19.6
59.01382	4.0
65.00311	0.5
65.85419	0.5
69.03461	0.9
69.38191	4.0
70.85503	0.5
71.01391	7.1
73.02946	0.5
78.95898	1.2
81.03504	0.5
83.05040	0.8
85.02952	0.8
95.05074	0.5
95.23491	0.6
96.96017	1.9
101.02423	0.8
108.02148	1.3
113.02492	0.5
117.03449	1.7
119.54871	0.5
135.04536	0.5
139.07597	0.6
145.02963	2.6
148.01674	1.0
163.04019	2.1
173.02449	1.9
179.14403	0.9
193.06557	0.6
193.15991	1.6
202.63806	0.6
205.06592	1.1
207.13950	2.0
221.06094	8.3
221.15540	4.7
221.19099	7.7
222.06693	1.0
223.07607	4.5
235.04021	0.6
237.09233	0.7
238.09802	0.6
248.04877	1.1
249.05569	38.1
250.06335	17.7
251.06612	1.2
265.08728	38.9
265.14862	4.4
265.18088	100.0
266.08905	2.5
266.18463	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	265.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92326	0.2
71.31823	0.5
79.95744	2.1
91.46608	0.3
95.00095	0.3
95.95264	0.7
96.96021	100.0
111.53904	0.3
117.59586	0.3
135.90677	0.3
163.04019	0.5
221.19160	1.2
265.14801	76.6
266.15134	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	265.1811
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
51.26134	0.6
57.03455	13.0
58.35299	0.8
59.01384	100.0
60.99320	1.5
62.96088	0.8
69.46047	4.6
71.01382	8.5
82.59763	0.6
83.05032	0.9
86.36877	0.6
87.48328	0.7
96.96018	4.9
101.02455	1.5
115.71940	0.7
135.04570	0.9
163.04025	2.5
178.06279	1.2
183.13982	1.1
193.15985	8.2
221.19077	1.2
222.03340	0.7
265.14902	4.4
265.18094	87.8
266.18414	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	265.181
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
51.05452	2.2
57.03457	82.9
57.17438	2.7
58.82700	2.4
59.01381	66.3
71.01380	15.3
71.54730	3.3
78.95905	2.9
83.05019	4.4
85.02962	4.5
96.96030	14.0
101.02434	8.2
104.16135	2.5
113.02473	3.1
135.04486	5.8
148.05293	2.7
163.04056	14.8
178.06331	6.4
191.03415	4.1
193.15976	10.9
221.15463	6.5
247.16864	3.3
265.08731	16.8
265.12289	4.0
265.14709	21.7
265.18073	100.0
266.18347	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	265.093
Annotation	tubercidin
Peak:m/z	Relative Intensity
53.11172	0.8
57.03445	3.0
58.00603	1.6
59.01384	55.2
60.01699	0.8
63.97035	0.9
71.01388	31.0
71.63083	0.7
72.57082	0.8
72.99322	1.7
73.02943	2.7
80.96523	1.2
83.01400	1.3
85.02959	21.5
87.00880	9.0
87.04517	2.3
89.02455	23.4
95.01401	2.3
98.20728	1.1
99.04491	1.2
101.02460	15.6
103.04019	31.1
107.00714	0.8
113.02456	9.2
117.05593	12.2
119.03519	10.0
133.05081	74.6
134.05333	1.2
143.03493	1.2
145.05063	1.0
147.03015	1.0
149.04536	0.9
179.05577	1.9
264.40802	0.9
265.09299	100.0
266.09647	4.2
277.52942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.093
Annotation	tubercidin
Peak:m/z	Relative Intensity
57.03445	4.5
58.00588	1.7
59.01385	53.4
67.73305	1.0
70.06696	3.5
71.01386	32.2
72.99297	2.5
73.02952	4.3
83.01395	3.0
84.52637	1.0
85.02960	26.4
87.00881	6.5
87.04508	1.7
89.02448	26.7
95.01382	2.0
99.04563	1.1
101.02450	17.1
103.04016	36.2
104.03469	1.0
113.02460	11.0
117.05594	30.5
119.03506	9.9
131.03555	1.2
133.01546	1.5
133.05078	33.3
139.05188	1.1
145.05070	1.3
150.04221	6.9
205.92361	1.1
247.30934	1.3
259.69360	1.2
265.09305	100.0
266.09174	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	265.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00562	1.0
55.01882	7.8
57.03460	5.7
57.03688	1.0
58.00591	2.3
59.01386	60.0
71.01389	100.0
71.05026	1.0
71.54306	2.0
72.01744	1.2
72.99319	4.8
73.02958	34.4
75.00867	2.7
80.96521	2.4
83.01393	17.0
85.02960	47.6
86.00141	1.9
87.00893	9.9
87.04531	4.9
88.04066	7.1
89.02457	13.0
92.05074	1.2
95.01402	7.0
96.96017	2.1
97.02959	2.8
99.00893	13.2
99.04562	1.0
100.65665	1.1
101.02456	79.6
103.04025	3.4
103.07664	3.3
111.00876	3.6
113.02466	37.3
115.00360	2.1
117.05599	16.5
117.47337	1.2
119.03514	2.8
121.02950	1.7
122.06142	1.4
123.35265	1.2
125.02470	3.1
129.01956	2.8
132.03032	5.4
133.05077	48.5
134.03697	1.6
135.04568	1.7
136.04063	1.9
143.03516	3.4
147.06654	3.7
148.05312	1.2
149.02458	2.7
149.06061	1.9
151.04018	1.8
159.03041	9.9
159.04359	2.0
161.02478	3.0
161.04575	42.6
163.04051	4.9
164.04762	3.4
165.05528	1.9
175.04015	2.1
177.01952	1.4
177.05762	2.5
179.03215	1.1
179.07089	3.8
191.03497	3.0
191.07263	1.1
193.04982	1.9
217.09790	1.4
221.09514	1.4
235.02466	1.4
247.06105	1.6
265.03610	1.6
265.07181	5.4
265.09299	7.6
265.12903	19.4
266.06790	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	264.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.0
65.66192	0.8
70.02982	22.0
71.01393	4.7
72.00932	1.4
74.16570	0.9
91.05540	7.1
96.99313	7.2
98.20670	1.9
98.84393	0.8
114.01985	100.0
115.02300	1.7
117.03497	8.9
124.59975	0.9
129.01897	2.7
129.13171	0.8
134.06134	22.8
135.06483	1.0
144.08244	2.1
145.10204	0.8
146.04579	5.0
146.06094	1.6
159.59036	1.0
160.07689	3.3
188.07129	4.0
232.06178	11.1
265.14322	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	265.0931
Annotation	tubercidin
Peak:m/z	Relative Intensity
55.01872	2.0
59.01386	36.1
61.31554	0.9
64.98613	0.9
67.87405	1.0
69.68490	2.5
69.68917	3.4
71.01012	1.7
71.01391	23.8
72.99313	1.1
73.02953	3.4
75.00867	1.3
80.96522	1.1
85.02954	11.2
87.00884	14.9
87.04522	1.7
89.02453	14.6
94.71445	1.0
98.20635	1.9
101.02444	7.0
102.05415	0.9
103.04034	2.4
113.02460	5.1
117.05598	36.3
119.03490	3.3
133.05084	100.0
134.05406	2.9
143.03519	1.0
147.03052	1.1
147.06442	1.1
153.10803	1.2
157.55644	1.0
161.04616	1.2
179.05547	1.6
193.70534	1.0
201.13095	1.0
221.09343	1.7
265.09375	12.4
266.08810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1654
Annotation	Speciosin K
Peak:m/z	Relative Intensity
54.46672	0.5
59.01371	2.9
63.05360	0.5
70.60197	0.5
71.01405	1.6
85.02957	1.3
90.44563	0.5
101.02470	0.9
105.01963	0.6
108.02210	0.5
109.02952	0.9
113.02489	0.7
121.03000	0.6
140.04784	0.7
144.86923	0.5
148.32753	0.6
149.02444	1.1
149.06094	1.3
164.04749	0.6
172.03809	1.4
172.57677	0.5
178.05415	0.6
179.07124	1.4
180.07919	1.7
182.25931	0.5
187.11292	18.8
188.11667	0.8
190.60555	0.6
203.03300	0.6
205.12346	100.0
206.12675	4.9
219.10324	1.1
219.13881	1.1
219.17587	0.8
231.13943	0.8
249.11377	2.6
263.13181	2.4
263.16525	53.2
264.16827	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	263.2019
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01390	1.8
63.13826	0.3
70.62775	0.5
70.63144	0.6
71.01379	0.8
81.79986	0.2
83.05009	0.3
83.24619	0.3
86.02103	0.3
105.32452	0.3
105.94836	0.3
196.76115	0.3
202.51495	0.4
219.21199	0.9
230.48131	0.3
245.19156	0.5
261.18646	0.3
263.20175	100.0
264.20547	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	263.1138
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
50.63580	1.2
54.01168	1.2
55.01878	8.3
57.03449	3.8
58.00589	3.0
59.01386	82.5
69.03458	2.3
71.01389	100.0
72.01698	1.5
72.99318	3.7
73.02950	30.9
75.00883	3.6
83.01392	15.4
83.05025	1.4
85.02959	48.3
85.03473	2.5
87.00888	6.3
87.04533	3.5
89.02449	29.9
95.01396	8.0
96.16168	1.3
97.02939	1.6
99.00891	13.8
99.04533	4.4
101.02456	70.6
101.06094	4.1
111.00873	2.0
113.02461	42.7
119.03517	9.3
119.07103	1.4
125.02451	2.6
129.01994	2.4
143.03500	3.2
159.02957	7.8
161.04573	44.9
161.08163	2.0
205.03255	1.3
263.11459	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	263.1291
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
55.08699	1.7
57.03442	2.9
59.01378	16.9
61.28918	1.5
61.70354	1.6
69.03485	1.8
69.53493	1.7
71.01398	4.5
74.72097	1.6
79.05527	2.5
83.05051	3.3
95.05045	2.1
97.02950	9.6
105.07114	4.7
107.05016	3.7
108.05813	8.0
109.02979	8.8
109.06623	3.8
111.04535	14.3
113.06101	8.4
116.17192	2.1
119.08658	6.6
121.06581	4.3
122.03741	13.9
123.08159	8.3
125.06093	20.1
135.08150	3.6
136.05325	16.0
137.06093	7.8
137.09663	2.8
138.06873	20.3
139.07669	38.7
148.05321	10.4
149.06056	4.6
151.07664	75.4
152.04778	6.6
152.08449	42.8
153.09232	11.3
159.11807	4.1
161.09746	9.7
163.07674	16.0
167.07104	4.3
175.07545	2.2
177.12781	2.1
185.09659	2.2
186.10461	4.4
188.08446	4.4
189.09216	8.0
189.12898	2.0
201.12875	33.5
202.13232	1.9
203.10791	25.7
204.11565	70.8
205.11903	3.1
219.13902	100.0
220.14214	4.0
245.11580	2.0
263.12863	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.85818	3.4
69.86237	5.0
70.88232	1.6
71.01388	2.4
79.46181	1.7
85.02973	1.8
96.70786	1.4
98.20618	2.2
101.02490	1.6
172.61172	1.7
174.59528	1.5
177.12886	1.8
197.61507	1.4
221.11896	2.4
263.12836	4.3
272.29083	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07528	1.3
54.03500	1.2
59.01385	100.0
69.44161	10.1
70.02988	5.0
70.89050	1.2
71.01389	3.9
72.00889	1.1
72.29135	1.1
73.02950	1.9
83.01414	1.5
96.99320	1.7
101.02436	2.3
113.02471	1.5
114.01958	4.5
139.41505	1.2
200.66684	1.4
263.05499	2.4
263.09607	1.9
263.12958	3.7
263.16541	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	263.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.03437	1.0
70.64998	2.3
70.65330	1.2
71.01384	2.2
73.02948	1.5
84.03698	0.9
101.45602	1.1
119.45391	0.9
155.06610	0.9
180.06583	1.1
219.48280	0.9
263.12817	2.3
263.16544	6.9
284.53033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84585	1.1
59.01387	100.0
71.01370	6.2
71.91752	1.1
73.02956	3.9
73.04073	1.9
83.01455	1.4
85.02949	2.0
85.06593	2.7
96.96022	1.3
98.19803	2.5
101.02410	5.7
113.02441	2.5
115.05128	2.8
115.07660	20.6
121.01767	1.1
131.07141	9.9
147.04504	1.7
164.07228	1.8
175.04065	1.6
185.87537	1.3
195.27589	1.2
204.04382	1.8
219.03040	1.2
229.01826	1.3
263.05771	3.0
263.09885	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14862	1.1
59.01385	100.0
71.01406	1.3
71.30959	1.4
71.31314	2.4
73.02947	2.7
78.00658	1.4
91.05568	1.7
100.41403	1.2
101.02437	1.8
101.51842	1.1
102.05624	19.8
107.86939	1.5
115.07646	2.6
117.11597	1.4
128.03542	16.6
135.04507	2.2
144.21584	1.5
145.08803	1.3
146.04611	29.2
173.05968	1.3
175.07941	3.1
191.03452	1.8
191.07208	1.4
232.33617	1.6
263.05383	1.5
263.09445	3.5
264.08780	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	263.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.27978	0.8
64.86358	0.7
69.31972	7.5
69.37165	0.8
76.72443	0.8
79.58112	0.9
101.02389	1.1
113.04665	0.8
206.36708	0.8
212.59589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12896	0.8
58.70363	0.7
59.01383	100.0
62.50791	0.7
62.52000	0.7
70.09567	1.7
70.09956	2.0
97.43793	0.8
101.02470	1.1
118.14262	0.7
119.63112	1.0
149.50208	0.7
154.71036	0.8
263.12967	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02380	1.1
59.01385	100.0
61.56215	0.9
69.29472	9.8
69.68946	1.0
72.19650	1.0
85.11063	1.0
89.49177	0.9
98.20636	1.8
118.54268	0.9
118.83571	1.1
125.80879	1.0
147.02139	1.1
148.37622	1.1
157.83052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.01399	1.1
71.55279	1.1
73.02942	0.9
95.80199	0.9
101.02452	0.7
114.84499	0.8
115.61337	0.8
131.57434	0.7
135.80414	0.9
142.76030	0.8
183.04504	1.5
263.12979	1.4
263.16504	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	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.48005	0.8
70.11900	2.6
73.02972	1.3
73.94069	0.7
81.33366	0.6
82.59414	0.7
87.11246	0.6
95.48943	0.6
101.02491	0.7
143.25209	0.7
166.54402	0.7
187.28235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0722
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
50.82838	0.6
59.01383	5.0
71.01384	12.4
71.54913	1.2
90.04431	0.6
96.04549	0.9
115.00381	24.6
117.07116	1.0
125.09621	1.0
126.10088	1.9
131.05045	4.5
146.06133	100.0
146.42558	1.1
147.04535	22.9
147.06467	3.0
148.04848	1.0
152.66634	0.7
156.08165	6.7
174.09236	6.5
182.06133	1.0
188.10097	1.9
200.07159	9.7
202.31812	0.8
217.46550	0.7
218.08224	53.5
219.08563	3.0
234.12218	0.9
262.07208	49.7
263.07602	2.9
263.12848	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	262.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17275	1.0
57.03460	4.4
58.02970	2.8
59.01379	9.7
69.03464	3.8
70.02997	6.2
70.39545	2.3
70.39957	2.5
71.01391	5.8
71.22845	1.2
72.99340	2.3
73.02967	1.7
74.02465	2.4
75.00887	1.6
79.05534	5.0
84.04527	1.6
85.02957	31.7
86.02502	1.4
87.00890	1.7
87.04524	3.3
87.92537	3.2
88.04069	2.0
89.02469	1.3
95.05042	1.8
96.04563	38.4
96.65756	1.3
97.02945	3.6
97.06596	1.2
98.02461	4.0
98.20589	1.2
99.00882	3.4
99.04528	1.4
101.02446	1.9
103.92053	3.4
105.93642	1.4
109.02983	1.1
110.02477	2.4
111.00888	1.3
111.04518	2.2
112.04078	1.8
113.02480	1.7
115.04050	1.6
116.03550	1.6
118.98088	3.3
128.03557	4.8
128.84425	1.1
129.01949	8.6
131.03780	3.9
131.07016	1.6
132.04106	2.2
133.04916	3.3
139.94926	1.1
140.03595	1.7
140.10837	9.6
141.01936	3.1
142.00342	1.3
142.01471	25.2
142.08723	2.7
144.03024	1.9
145.04906	2.2
145.96765	1.3
146.08250	1.8
147.06627	1.5
153.07973	1.9
156.08566	1.7
157.07718	1.4
158.04582	8.4
158.05913	1.9
158.08115	2.6
159.06453	2.4
166.94743	1.5
168.10335	10.4
170.08243	67.3
171.08623	1.8
172.02512	3.6
172.13460	24.1
176.09200	2.0
199.94202	1.8
200.12958	15.1
202.03543	2.3
202.10866	51.6
203.11234	1.4
204.12431	2.9
218.10387	1.6
218.13922	4.3
220.08102	2.3
244.04477	1.2
244.11980	4.0
262.05560	7.5
262.09305	9.5
262.12973	100.0
263.05676	1.7
263.08160	1.5
263.13403	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	262.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22689	0.9
54.36959	0.9
58.02995	1.0
59.01389	6.3
61.86603	1.0
67.12082	1.0
69.19781	10.3
71.01367	2.1
79.05532	5.5
85.02946	2.4
96.04554	2.3
98.20778	1.7
103.50226	1.1
107.89355	1.1
123.04524	1.8
128.03592	1.5
128.07201	4.0
131.03746	1.4
133.05022	3.3
140.10838	7.7
142.01520	1.6
146.08263	2.1
153.07973	2.5
168.10315	11.5
170.08247	62.0
171.08585	1.9
172.13454	19.5
176.09146	1.5
200.12943	16.8
202.10863	47.2
203.11098	1.2
204.12265	1.7
218.13959	4.2
244.11958	4.2
262.09314	3.4
262.12976	100.0
263.13297	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24674	1.8
59.01387	100.0
65.99459	2.0
71.01367	6.0
73.02961	2.5
83.01411	2.9
83.48013	1.9
84.02938	1.9
94.03014	2.4
101.02449	3.2
102.46289	1.9
131.38716	2.0
163.03998	6.2
263.03156	2.2
263.12341	3.4
263.14420	8.6
263.16785	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	261.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03232	0.6
53.10254	0.6
58.02982	7.6
59.01386	9.7
70.02984	8.9
71.01408	1.0
72.04554	4.7
73.73356	0.6
74.02479	100.0
84.04556	2.6
85.76325	0.7
86.02496	4.2
92.05074	1.8
97.49277	0.6
98.02483	23.4
98.20677	1.5
101.02480	0.9
110.02512	1.1
116.03546	51.0
118.06593	1.0
128.03557	11.5
130.06650	1.7
130.94536	0.7
131.03773	9.4
132.04564	38.4
138.05685	0.8
139.11334	1.1
140.05013	0.8
144.03372	1.1
144.04562	23.7
145.04933	0.8
146.06071	1.2
157.07748	5.6
158.06142	5.9
166.02777	3.9
173.07233	1.6
175.08739	6.1
181.05063	3.1
182.04672	1.2
187.59944	0.7
190.90672	0.6
199.08727	3.2
201.06686	11.8
201.11333	2.4
209.75433	0.7
215.08273	1.3
217.09810	2.3
219.07764	9.1
243.07805	1.8
261.08826	30.3
261.13080	3.8
261.17047	1.0
262.09134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0882
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
54.08486	1.4
58.02986	26.8
59.01377	3.1
59.19847	0.9
66.95198	1.2
67.87730	1.2
69.59740	7.4
70.03001	2.7
74.02483	34.0
84.04562	12.0
86.02486	3.9
92.05068	9.4
97.60787	1.1
98.02486	16.2
100.28629	0.9
110.02486	3.2
111.64066	1.0
113.84622	1.1
116.03562	19.4
116.05038	1.0
118.02919	1.2
118.06638	3.0
120.04527	2.0
128.03558	30.8
128.05019	1.4
130.06633	7.1
130.15607	1.0
131.03786	54.1
132.04573	59.7
133.04921	1.5
140.05103	3.2
144.04565	17.6
146.06064	6.1
147.05582	1.1
157.07713	30.7
158.06125	35.3
158.08063	1.6
160.04063	1.8
175.08783	34.9
188.74429	1.1
189.06790	4.0
199.08783	7.5
201.06700	11.6
202.05125	1.4
217.09865	10.8
219.07753	35.4
220.07913	1.8
243.07771	6.8
261.08813	100.0
262.09137	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	258.0984
Annotation	O-fumaryl-L-carnitine
Peak:m/z	Relative Intensity
52.10020	0.6
53.10232	0.6
56.55489	0.6
58.02997	0.7
59.01378	1.8
69.66361	2.9
69.66779	0.9
70.02985	1.5
71.01384	12.1
74.46696	0.6
87.29422	0.6
88.04050	100.0
89.04359	1.3
96.99331	2.7
99.08133	0.6
110.32263	0.6
112.07709	2.4
114.01975	3.5
114.99572	1.1
115.00386	21.2
126.73698	0.6
132.03043	13.6
142.08745	39.2
143.07152	21.1
143.08980	1.4
144.07500	1.0
154.27489	0.7
167.88675	0.5
186.58228	0.6
196.09869	1.7
214.10881	28.4
215.11092	1.4
223.36931	0.6
226.02972	0.7
240.08826	4.3
258.09839	78.6
259.09964	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0976
Annotation	Tristin
Peak:m/z	Relative Intensity
51.88218	0.5
52.71750	0.5
65.43842	0.5
69.33405	2.4
69.33826	1.8
80.68887	0.5
85.03032	0.5
94.63440	0.5
95.90814	0.5
99.04489	0.5
113.02463	0.7
130.84641	0.5
131.05058	0.5
157.06708	0.5
159.04536	0.5
162.53282	0.5
173.07208	1.4
175.04019	0.8
175.07710	0.7
176.90080	0.7
204.02394	1.2
204.04279	18.6
205.04666	1.0
215.08302	1.2
236.03268	30.2
237.03651	1.3
243.06563	0.5
244.07286	0.6
259.09760	100.0
260.10104	6.0
266.41977	0.5
280.05612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	0.2
59.01382	0.4
59.51631	0.2
70.02986	3.8
71.55354	0.2
71.97569	0.2
86.02481	0.7
94.44053	0.2
98.02488	100.0
99.02825	1.1
106.70123	0.2
112.34433	0.2
122.90131	0.2
127.07646	0.2
130.05116	29.9
131.05449	0.5
165.12944	0.2
173.07271	0.2
215.08244	0.2
215.11942	0.3
217.14478	0.6
259.06171	0.4
259.10965	2.6
259.19327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.155
Annotation	O-1602
Peak:m/z	Relative Intensity
57.45053	0.3
59.01387	0.4
71.55447	0.5
74.83432	0.3
82.02470	0.3
83.05062	0.8
83.92085	0.4
99.00938	0.5
116.92881	0.4
134.03755	21.3
135.04137	0.4
147.04546	0.4
148.19330	0.4
155.54001	0.3
158.03622	0.3
166.02734	14.1
170.99600	0.4
173.06129	2.8
174.06796	0.9
174.97885	0.3
181.96796	0.4
183.17540	0.4
187.07666	1.0
188.08394	1.5
202.78848	0.3
211.20665	0.5
219.84546	0.6
221.15520	1.0
221.84247	1.2
229.08636	0.4
257.08203	4.2
257.15494	100.0
257.23999	1.5
257.93942	0.7
258.08566	0.4
258.15820	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	257.2126
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
51.81676	0.4
58.12994	0.4
59.01374	0.5
62.41191	0.4
66.11199	0.4
69.30384	0.3
70.14271	1.6
71.59792	0.4
74.44727	0.4
80.09729	0.4
80.52940	0.4
81.03461	0.4
83.05011	0.4
104.72337	0.4
107.16691	0.4
177.91284	0.3
183.17603	0.7
203.97287	0.4
207.17537	0.8
209.19112	4.9
211.20686	66.1
212.21007	4.0
239.20187	1.4
257.08023	0.9
257.21246	100.0
257.93973	0.9
258.21545	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	257.082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
59.01372	0.9
66.24915	0.4
67.01894	3.6
68.99815	1.3
69.03463	8.9
71.02342	1.2
79.01896	8.8
81.03461	19.1
82.04765	0.5
93.03465	2.0
93.82349	0.5
95.01405	4.2
97.02964	4.2
97.07536	0.5
98.67186	0.5
107.01398	41.7
108.01613	0.7
108.02210	8.5
108.33650	0.5
121.02954	1.2
123.00893	9.7
124.01655	3.9
125.02473	4.0
136.01665	4.8
151.00377	31.1
152.00691	0.5
166.02721	1.0
171.10324	0.5
239.12881	0.8
242.05858	100.0
243.06215	5.5
256.23682	0.9
257.08209	42.0
257.23923	1.1
258.08481	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	257.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84458	0.3
65.03967	8.6
67.01893	3.0
70.92359	0.7
80.02708	0.4
91.01917	0.8
92.24149	0.3
93.03465	1.1
99.08173	0.5
107.01402	2.2
108.02169	2.5
109.02959	100.0
110.03300	2.6
117.03427	0.4
119.05017	4.1
121.02962	0.9
122.03767	0.9
123.00865	0.5
125.09736	0.7
127.07648	1.0
135.00932	0.8
135.77580	0.3
136.01672	5.5
137.02475	3.4
144.22849	0.3
147.04533	17.0
148.01674	9.7
148.04814	0.5
149.02011	0.4
165.01996	2.3
193.06645	0.5
195.08218	1.0
211.07585	0.9
213.09227	0.8
225.11362	0.5
239.07166	3.8
242.06204	0.3
256.23679	0.8
257.08209	48.3
257.17484	2.7
257.23898	1.0
258.08524	2.9
258.20761	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0822
Annotation	Guibourtinidol
Peak:m/z	Relative Intensity
57.03424	0.7
58.54538	0.6
59.01369	0.8
69.03480	0.7
69.67645	0.6
72.99313	0.7
74.12777	0.7
80.02683	2.9
81.03452	1.5
83.05014	0.7
91.01898	7.3
93.03464	21.0
94.03807	0.8
95.01402	3.7
98.20765	1.3
107.05034	16.0
108.02183	62.3
109.02464	1.4
121.02966	100.0
122.03309	2.7
123.00905	1.5
123.04535	59.9
124.04875	1.3
125.02458	0.9
133.02975	1.6
135.00900	21.1
136.01678	2.3
137.02409	1.0
149.02463	2.3
151.00446	1.1
151.04012	15.8
156.18239	0.6
158.51018	0.6
166.02715	1.4
169.06546	1.1
169.79070	0.7
181.06618	1.4
195.04506	3.6
197.06087	5.6
209.05925	0.8
211.03996	0.8
213.09106	1.8
224.04820	5.4
225.05579	43.1
226.05945	1.4
227.07199	3.4
227.16589	0.7
229.05087	0.9
229.08722	2.0
239.07071	2.4
242.05765	4.7
256.23700	3.1
257.08224	85.4
257.17566	4.8
257.23807	4.5
258.08481	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0821
Annotation	Dehydrooxoperezinone
Peak:m/z	Relative Intensity
53.04756	0.6
59.01390	1.2
63.41515	0.6
65.03980	1.2
67.01880	0.8
71.54607	1.1
80.02687	4.4
81.03440	0.8
91.01913	12.5
93.03494	1.2
95.01395	1.0
99.00881	1.1
107.01406	11.9
107.05052	0.7
108.01476	1.3
108.02194	22.4
109.02985	9.3
121.02992	0.9
122.03741	1.1
123.00908	4.2
124.01723	1.2
135.00891	13.7
136.01677	28.5
137.02023	0.7
146.88318	0.6
153.01961	5.2
158.03653	0.9
170.68190	0.7
171.08121	0.8
185.02415	0.9
185.06038	0.7
187.07619	1.0
189.12851	1.2
200.04732	0.6
201.05586	0.7
212.93860	0.6
213.05714	0.7
213.09244	4.3
215.07196	0.7
219.84560	2.6
221.84274	5.2
224.04716	3.0
229.05008	0.9
229.08699	1.2
239.07159	1.9
241.05089	0.8
242.02171	0.8
242.05849	4.1
256.23636	3.2
257.08215	100.0
257.23871	4.3
257.94067	0.8
258.08578	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	255.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
63.02402	4.7
65.00018	0.3
65.00332	5.6
68.99833	0.8
69.74306	1.2
69.74715	0.5
83.01395	6.3
107.01407	8.7
108.02174	1.0
123.00896	0.6
125.02443	0.7
136.01669	0.7
141.07137	1.0
145.06609	5.8
151.00374	11.0
164.01144	2.2
169.01498	0.5
169.06599	2.6
171.04527	6.8
172.05313	1.7
177.01964	0.5
185.06059	2.3
187.07744	2.2
192.25407	0.3
193.06555	0.4
211.07671	3.5
212.07944	0.3
213.05586	9.8
214.05951	0.8
222.42618	0.3
227.07074	0.7
255.06638	100.0
255.23294	3.7
256.06967	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	256.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02676	0.9
58.02979	15.2
59.01372	1.3
70.02979	1.2
71.01393	12.5
86.06149	0.9
88.04050	100.0
89.04403	1.5
96.99323	4.3
114.01987	6.2
115.00387	23.1
132.03032	6.0
140.10829	18.3
140.11710	0.6
141.09235	34.9
142.09566	0.8
166.12383	1.1
175.21249	0.8
194.11853	4.0
212.12932	28.1
213.13200	1.4
229.33907	0.7
238.10835	4.7
256.11917	54.4
256.23615	6.0
257.12210	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	257.0459
Annotation	3,5-Dihydroxy-1-methoxyxanthone
Peak:m/z	Relative Intensity
59.01376	0.9
61.96080	0.6
62.84991	0.6
65.03963	1.4
67.01894	0.6
69.23269	5.9
83.05054	0.7
91.01906	34.5
92.02232	1.3
93.03471	100.0
94.03802	2.1
108.02179	2.4
109.02943	4.7
121.02959	4.2
123.00899	1.4
132.06863	0.9
135.00903	78.3
136.01222	1.4
143.05032	0.8
153.01958	33.6
154.02211	0.8
163.00391	85.2
164.00719	2.4
169.69797	0.6
185.06064	1.5
213.05554	0.9
213.09242	1.0
228.04224	0.7
229.05116	1.8
242.05919	2.5
256.23724	2.3
257.04587	12.2
257.08160	6.7
257.14102	0.9
257.17502	1.0
257.23923	1.6
258.04898	0.9
258.08798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03987	0.3
69.39353	1.0
69.39780	1.1
80.02690	0.5
81.03470	4.4
81.51278	0.2
85.90052	0.3
88.73688	0.3
91.05540	0.3
93.03469	0.5
95.01409	0.5
97.43004	0.3
108.02178	3.3
109.02963	1.0
122.03749	43.2
123.00913	0.8
123.04105	1.1
124.01685	0.4
125.02451	3.5
125.37743	0.2
128.17532	0.2
129.07169	0.3
136.01680	0.9
137.02458	4.4
141.07092	0.3
143.08652	0.3
144.82147	0.2
153.01978	1.3
154.02689	0.6
156.05814	1.1
167.08678	0.4
169.06599	1.2
169.10204	3.5
171.08167	15.7
172.08542	1.0
185.09779	0.3
211.07765	0.3
213.09222	100.0
214.09561	5.9
257.08203	84.3
258.08539	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	253.072
Annotation	Sporovexin B
Peak:m/z	Relative Intensity
59.01382	41.1
65.03953	1.9
68.99839	1.3
69.28472	7.8
69.28902	4.4
71.01383	2.2
74.21940	1.4
85.02923	1.4
91.01883	3.8
96.95984	2.9
100.12934	1.3
101.02455	1.3
109.02954	16.1
119.01384	4.7
121.02966	58.0
122.03259	1.7
124.71546	1.5
125.51514	1.4
133.02919	2.8
137.02444	27.6
148.01689	7.6
161.04555	3.9
161.65358	1.3
163.00380	39.8
173.06061	1.6
181.01443	51.4
182.01715	1.5
191.07114	2.3
193.07243	7.2
229.04668	1.4
253.07156	100.0
254.07484	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	253.093
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
53.20108	1.8
59.01385	100.0
61.88000	1.6
68.65429	1.8
70.87555	4.0
70.87895	2.4
71.01395	4.5
71.88457	2.1
73.02955	4.5
76.96080	1.9
83.59978	1.9
84.55785	1.9
87.00888	6.1
91.30629	2.0
101.02446	4.7
161.04550	6.4
193.07159	15.8
241.15405	2.0
253.09360	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	255.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	5.1
59.01372	3.0
71.01377	1.3
71.24464	0.8
71.24579	2.3
72.99316	50.2
75.00859	2.8
76.58939	1.1
87.00884	13.0
91.01851	1.2
93.03466	9.0
99.00877	2.3
103.02181	1.0
106.04252	1.9
107.05034	17.9
107.50350	1.0
108.02173	1.3
119.05045	4.1
121.02966	3.0
122.03731	2.3
123.04539	60.6
124.04858	2.1
131.05049	3.0
133.02974	9.6
135.04538	4.6
147.04578	4.9
149.06102	23.7
150.03221	2.6
151.04022	1.3
163.04012	2.7
165.05588	99.9
166.05952	2.6
167.24036	1.1
175.04004	2.8
179.03523	24.4
181.04997	1.2
193.05072	29.7
195.02994	12.0
211.06102	1.3
219.03004	1.2
235.51328	1.0
237.03940	1.6
255.05128	100.0
255.23381	4.3
256.05576	4.8
256.07843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0512
Annotation	PISCIDIC ACID
Peak:m/z	Relative Intensity
55.10466	0.9
56.89864	0.9
58.00595	5.1
59.01364	2.2
65.91795	1.0
69.84982	4.2
72.99315	46.3
75.00881	2.4
86.59391	1.0
87.00893	11.1
93.03468	11.2
99.00879	2.7
102.04136	1.1
106.04232	2.8
107.05045	11.3
108.02169	2.3
109.75551	0.9
111.60950	1.0
119.05003	3.2
121.02958	4.6
123.04538	51.5
125.73646	0.9
131.05023	2.7
133.02977	7.7
135.04517	3.1
137.06056	1.2
139.60887	0.9
147.04533	4.2
149.06081	21.0
150.03178	1.3
150.06396	1.3
151.04037	1.8
163.03984	3.3
165.05585	96.5
166.05914	2.7
175.04030	2.7
179.03519	25.5
193.05075	27.5
194.05458	1.8
195.03008	9.9
209.04724	1.3
211.06163	2.4
226.33322	0.9
230.66641	1.0
255.05116	100.0
255.23309	4.9
256.05588	5.2
256.08057	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	255.0665
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
63.02098	0.4
63.02405	5.7
65.00330	7.2
68.99821	0.8
69.48892	0.8
69.49319	1.2
83.01392	7.6
89.89084	0.3
95.01392	0.4
98.20655	0.3
100.19762	0.3
107.01405	8.2
108.02181	1.2
109.02977	0.3
117.07130	0.3
123.00882	0.9
125.02451	0.7
133.02997	0.5
136.01674	1.0
141.07095	1.2
141.89708	0.2
145.06604	7.1
146.68915	0.3
147.08960	0.3
151.00383	11.5
151.01598	0.6
155.08716	0.3
164.01198	1.8
169.06612	3.2
170.06975	0.3
171.04539	6.3
172.05344	2.1
183.08170	1.0
185.06085	2.5
187.07666	3.0
193.06606	0.6
211.07616	3.1
213.05586	10.2
214.05902	0.7
219.88992	0.3
227.07149	1.0
230.58917	0.3
248.96844	0.3
255.06642	100.0
255.23279	3.4
256.06992	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	252.0516
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
57.13634	0.4
59.01380	0.5
63.09203	0.4
67.08121	0.3
69.24079	3.8
69.24461	0.9
69.30717	0.3
71.01392	7.3
79.57185	0.4
88.04043	2.3
91.01887	1.9
93.03467	18.7
94.03790	0.7
104.73653	0.4
114.01967	1.0
115.00388	14.5
118.03008	17.6
119.03323	0.7
121.02976	1.1
132.03059	3.4
136.04057	100.0
137.02463	6.8
137.04350	2.2
146.06094	2.0
164.07188	7.9
165.12636	0.4
208.06181	7.4
234.04099	1.4
252.05156	25.2
253.05409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03280	0.2
58.40781	0.2
59.01387	3.1
69.81673	1.3
80.54244	0.2
91.01902	7.5
92.02170	0.3
98.19946	0.3
104.02686	0.8
108.02188	0.9
132.02182	17.1
133.02521	0.6
135.00897	7.7
140.29491	0.3
143.50772	0.3
153.01930	1.2
167.05055	2.0
179.04933	0.3
180.05865	1.7
193.07188	1.0
195.04527	21.3
196.05026	1.7
198.85635	0.2
208.05324	4.9
209.05688	0.4
223.04013	38.6
224.04715	8.9
225.05009	0.3
227.09787	0.3
237.05264	0.5
251.03503	21.8
252.04283	100.0
253.04657	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	250.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07692	0.4
59.01373	1.2
66.01667	0.4
70.02985	1.0
71.01392	6.1
71.13023	0.8
71.13359	0.9
72.00935	0.8
79.70372	0.4
88.04047	82.2
89.04377	0.9
91.05547	3.4
96.99316	0.5
105.06185	0.4
114.01984	4.8
115.00388	15.2
117.03499	0.4
132.03038	100.0
133.03395	1.4
134.06151	1.2
135.04541	4.2
181.53708	0.4
191.84425	0.4
202.14612	0.4
206.08275	1.5
232.06075	0.8
250.07216	17.2
251.07545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	9.8
57.03445	5.7
58.00597	3.2
59.01385	78.9
69.30341	1.1
69.50273	2.3
69.50678	5.9
71.01388	100.0
72.99315	4.7
73.02953	36.2
75.00875	3.3
83.01393	16.8
85.02959	47.2
86.03306	1.5
87.00886	5.4
87.04533	2.8
88.62701	1.2
89.02454	21.2
95.01393	8.8
97.02953	1.7
99.00900	11.7
101.02454	85.5
109.80803	1.1
111.00912	1.8
113.02464	42.1
119.03502	6.6
125.02466	2.3
129.01942	2.4
133.05099	7.3
143.03514	4.4
159.03004	10.5
161.04573	44.6
251.11392	31.0
251.13985	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	249.1863
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01395	5.0
61.98823	1.9
68.99567	4.4
70.26737	0.8
71.50983	1.3
73.02948	0.8
80.96540	0.9
87.00829	0.9
112.98569	5.1
121.02961	2.2
122.03760	0.9
147.04514	1.0
154.97363	2.6
161.02420	0.9
170.48036	0.8
189.12845	1.1
204.04257	1.2
205.15991	34.8
205.19490	1.5
206.16284	2.5
219.02927	1.3
231.17531	2.0
243.66278	1.0
244.99579	0.9
247.17044	1.0
248.97188	1.7
249.14957	55.0
249.18584	100.0
250.14487	38.0
250.18599	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	249.1499
Annotation	Sch 601254
Peak:m/z	Relative Intensity
51.53699	1.6
57.03448	3.5
59.01380	8.8
67.01922	1.4
69.03466	23.1
71.01373	2.5
71.05012	2.2
71.55058	2.0
73.02958	1.7
83.05044	4.1
85.02937	2.9
93.03422	1.7
95.05023	2.8
96.96008	2.3
97.06628	4.2
107.05001	2.4
108.02211	2.0
109.06500	2.3
111.08196	2.3
121.02952	5.2
121.06583	2.4
122.03751	13.3
123.08175	2.3
125.09740	1.6
135.08131	3.4
147.08250	1.7
149.13390	2.3
151.11295	3.6
161.02432	1.8
170.93961	1.6
173.09702	3.0
173.55223	1.4
179.10728	3.6
183.41589	1.4
187.14856	2.8
191.10873	1.9
193.12358	3.5
204.04370	7.6
205.12381	5.2
205.15929	12.4
213.12827	2.0
219.06635	5.7
221.15474	14.4
231.13936	23.5
234.05321	2.8
249.07520	3.4
249.14981	100.0
250.14536	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	249.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03438	0.6
59.01387	39.9
59.29015	0.4
60.52305	0.4
69.03474	0.6
69.50110	3.2
71.01386	6.3
71.05054	0.5
72.99306	0.7
73.02957	7.6
75.00892	1.3
75.75182	0.4
79.95742	0.7
80.96518	1.1
83.01397	1.0
85.02958	4.3
87.00879	1.5
87.04523	1.1
89.02439	1.4
95.01425	0.8
96.96024	0.6
97.02963	0.5
97.54446	0.4
99.00901	1.0
101.02447	4.1
103.04007	2.5
110.06140	2.9
113.02477	3.1
113.38807	0.5
117.05592	100.0
118.05914	2.1
124.01626	0.4
136.07689	1.0
138.05655	1.0
147.04575	0.8
149.02536	0.6
159.06665	0.7
161.02544	0.5
161.04605	1.0
161.06232	0.8
175.06256	0.6
176.06773	0.7
177.05560	0.5
204.04329	2.1
219.03098	0.9
219.06538	0.7
221.04947	0.6
224.31461	0.5
226.61037	0.5
234.05331	1.8
249.04141	1.3
249.07755	1.5
249.09785	3.2
249.13065	1.6
249.15387	0.5
250.14507	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	247.1705
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01371	0.2
70.12843	0.3
70.13236	0.4
75.08893	0.2
79.95737	0.3
94.61336	0.1
118.46918	0.1
121.20184	0.2
123.09570	0.1
179.07094	0.2
184.00183	1.3
184.20134	0.2
186.95598	0.5
205.16103	0.2
220.17038	0.8
231.13925	0.6
247.17044	100.0
248.08044	1.0
248.17371	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	245.0933
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
53.35811	0.8
58.02977	13.2
64.44652	0.9
65.17692	1.0
68.93010	0.8
70.02992	16.2
72.00919	2.5
72.04543	3.9
74.02480	77.6
76.73852	0.9
98.02483	14.5
115.08090	0.8
116.03548	31.3
116.05063	23.4
117.05356	1.1
128.08009	1.0
130.06613	2.9
135.29259	1.0
142.06659	5.8
159.09277	4.2
183.09372	1.9
186.05576	1.2
201.10388	8.7
203.08284	90.8
204.08640	2.0
245.09323	100.0
246.09641	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0984
Annotation	Valinopine
Peak:m/z	Relative Intensity
50.72069	1.5
50.84013	1.9
66.03484	2.1
69.66725	7.0
71.01385	25.0
71.05023	1.6
74.02483	100.0
75.00862	4.9
81.84039	1.4
88.04048	69.5
96.99329	2.7
98.20637	3.0
109.46657	1.5
110.02519	2.7
114.99570	2.8
115.00385	49.5
130.08752	76.3
131.07158	68.2
131.07869	1.2
131.08165	1.8
131.09166	1.9
132.03003	3.5
132.07419	2.9
156.10295	1.6
178.34871	1.7
184.09854	1.4
189.09491	1.5
194.81613	1.4
202.10873	66.8
209.69330	1.5
228.08749	7.4
246.09843	95.6
247.10204	5.1
264.08688	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	247.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93848	0.4
61.99592	0.4
62.93640	0.4
64.70690	0.4
71.55156	0.5
79.05537	4.9
80.61821	0.4
80.99724	0.4
85.74429	0.4
91.05564	0.6
105.07111	0.5
107.05042	28.4
108.05385	0.6
117.58672	0.4
124.27707	0.4
129.07121	1.1
131.08698	2.5
133.06573	1.0
143.05017	1.4
147.08173	0.5
157.06577	6.2
158.07037	0.4
159.04524	5.0
159.08142	1.0
160.05281	2.9
175.07652	100.0
176.08002	4.4
177.12253	0.4
185.06110	1.5
186.95708	0.5
187.03998	1.4
188.04837	0.8
192.57298	0.4
201.05560	3.0
203.07162	31.5
204.07483	1.5
219.06506	0.5
238.60727	0.4
247.06125	16.4
247.13327	0.6
259.40131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21183	0.9
58.02972	3.4
59.01377	1.8
70.02976	3.8
71.01394	15.9
72.00925	1.0
74.02470	12.0
88.04047	53.1
89.04459	0.9
96.99329	5.2
98.02483	2.9
108.43554	0.8
114.01968	3.1
115.00379	27.1
116.03552	2.3
116.05100	4.8
116.05767	0.8
128.10829	100.0
129.09227	30.0
129.10213	1.2
129.11163	2.0
130.09557	1.4
130.36488	0.8
132.03018	2.3
142.06616	1.3
154.12408	2.0
156.13905	1.2
159.09271	1.1
168.31639	0.8
168.89168	0.8
174.33551	0.8
182.11751	4.9
200.12912	32.9
201.10390	1.3
201.13312	2.0
203.08266	11.1
226.10869	6.7
233.89948	0.9
244.11903	75.4
245.09297	9.8
245.12163	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	245.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	24.5
67.39323	0.7
69.38164	4.6
69.38575	1.3
70.02984	15.7
70.67355	0.6
72.00921	4.3
72.04566	4.1
74.02480	100.0
79.89975	0.7
98.02486	23.9
98.20619	1.1
116.02731	1.5
116.03555	32.1
116.05069	33.4
117.03969	0.9
117.05477	1.1
129.05785	0.7
130.06644	5.0
142.06644	8.7
159.09315	6.5
173.79790	0.7
183.09239	1.0
186.05673	2.0
201.10312	10.1
203.08275	92.9
204.08644	2.7
245.09317	88.3
246.09709	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	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
58.00117	1.3
59.01381	3.3
69.40726	9.9
71.05031	4.2
73.82490	1.1
85.28439	1.2
88.04044	3.8
96.99357	3.6
97.02960	7.2
97.06584	3.5
98.20715	2.8
99.00893	25.7
102.01703	1.1
106.09073	1.2
108.77073	1.4
109.06596	1.4
110.02459	1.2
110.03701	2.1
111.00877	2.4
114.09236	6.5
115.00394	1.4
123.08203	2.1
125.09727	6.5
129.09254	1.9
135.08214	1.4
142.02734	2.1
142.50594	1.4
145.02953	2.8
155.14427	2.8
163.11293	9.7
179.10712	1.2
181.12376	29.7
182.12717	1.5
197.11845	1.8
199.07697	1.2
199.13394	23.7
207.10297	52.4
208.10632	2.9
225.11351	100.0
226.11682	6.5
243.03050	2.2
243.06914	3.2
243.12408	83.5
243.16057	2.8
244.12532	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
50.37483	1.0
52.94291	0.9
55.15278	1.0
55.74030	1.0
57.03441	1.5
58.20091	1.2
59.01377	1.6
63.11862	0.9
66.28910	0.9
71.05025	4.3
71.54897	1.3
83.05024	1.1
97.02953	4.5
97.06598	2.1
98.39824	1.0
99.00888	25.5
109.06593	1.2
110.03751	2.5
114.09282	2.3
123.08195	1.6
125.09734	7.0
127.11320	1.0
139.49266	1.1
142.02763	1.8
145.02942	1.6
155.14435	2.8
163.11319	10.1
168.86273	1.1
179.10738	1.0
181.12343	26.9
197.11810	1.5
199.07608	1.1
199.13409	25.3
207.10271	53.8
208.10704	2.4
225.11339	100.0
226.11626	3.6
243.02917	1.6
243.06715	3.0
243.12386	99.1
244.12752	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	242.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69142	0.4
59.01371	1.4
60.81251	0.3
70.02976	1.4
70.99705	0.4
71.01392	7.1
72.00891	0.5
88.04048	100.0
89.04383	0.9
96.99313	1.0
109.06622	0.3
114.01978	8.4
115.00388	14.8
126.09240	1.9
127.07667	8.9
132.03041	68.6
133.03394	0.7
152.10832	0.4
180.10287	0.5
181.12358	0.8
184.05305	0.7
198.11371	4.4
224.09224	1.1
242.10349	27.9
243.10399	0.6
243.12500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0623
Annotation	Uridine
Peak:m/z	Relative Intensity
54.21017	1.1
59.01394	1.9
66.03489	12.3
68.01410	3.2
69.50134	5.4
69.50552	2.5
71.01398	2.8
72.14369	1.1
82.02989	29.1
83.01397	1.4
94.02986	2.4
95.01329	1.1
96.04531	1.6
99.00910	1.3
108.04564	2.1
110.02490	100.0
111.02010	4.6
111.02750	2.2
112.98832	1.2
117.01906	1.2
122.02491	9.9
124.04046	3.2
132.03064	1.5
140.03558	10.5
152.03563	15.7
152.93837	1.1
153.03040	9.2
200.05663	37.6
201.05927	1.8
242.55205	1.2
243.06259	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	243.1239
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.19060	0.8
57.01440	0.7
57.03460	0.8
59.01386	1.2
63.27299	0.7
69.03446	0.6
69.29708	5.4
71.05019	2.7
79.95743	4.4
83.05027	0.9
95.05080	0.7
97.02959	4.0
97.06580	1.8
99.00886	15.2
109.06597	1.3
110.03731	1.4
112.31910	0.7
122.03754	5.4
125.09740	5.5
125.86914	0.6
135.08119	0.8
137.06107	5.5
142.02673	1.1
148.05324	10.1
152.01245	0.7
153.12909	1.0
155.14409	2.0
163.07686	4.8
163.11314	6.2
181.12360	19.2
181.13983	1.0
182.12721	0.7
197.11751	0.9
197.60939	0.6
198.27533	0.7
199.13411	22.0
200.13817	1.1
207.10265	32.2
208.10620	1.5
225.11330	64.6
226.11765	3.2
241.10641	0.8
243.03241	6.9
243.06828	2.2
243.12381	100.0
244.12747	5.0
244.15152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98030	1.1
59.01381	1.0
64.58151	0.3
65.00330	1.3
66.03481	0.6
71.46150	0.5
72.04522	0.4
80.98055	0.8
83.04990	0.4
87.00867	0.3
96.95987	0.4
97.98312	1.5
109.01203	1.2
110.01963	18.1
111.00885	0.4
111.02792	2.2
114.05597	0.4
124.02267	0.5
125.93977	0.4
136.07686	0.8
154.06975	100.0
155.07288	3.3
155.08430	0.4
181.10365	0.3
198.05959	24.2
199.06285	0.7
212.23846	0.3
242.04907	9.5
242.06741	0.5
242.10287	1.0
243.12460	0.9
246.39491	0.3
259.50793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1447
Annotation	Annuionone F
Peak:m/z	Relative Intensity
53.53971	0.6
57.03454	13.9
58.51985	0.4
59.01387	2.6
61.97324	0.5
69.03470	2.5
71.01382	2.6
71.05036	1.3
73.02953	3.4
76.01176	0.5
81.03461	3.6
83.05019	1.8
84.02172	0.5
85.55834	0.5
91.15372	0.5
93.03497	0.9
95.05035	4.2
97.02966	4.4
97.06593	3.8
98.03738	0.5
98.20692	1.7
98.95597	1.2
99.04551	1.6
99.08175	2.6
102.05589	0.8
107.05038	0.9
107.08705	0.6
108.02187	1.0
109.02950	1.2
109.06599	7.4
109.07278	0.8
110.03722	1.2
111.04527	3.8
111.08175	1.3
113.06117	1.6
114.99922	0.5
121.06616	2.5
122.03667	0.4
123.04517	1.8
123.08167	6.9
124.05310	28.2
125.06192	2.8
128.03560	0.7
133.06593	0.7
135.04565	0.7
135.08170	1.8
136.05318	9.7
137.06079	2.1
137.09734	3.5
138.06873	1.6
139.07661	100.0
140.07957	3.2
141.09233	1.8
142.08731	0.7
143.09001	0.6
146.04597	1.4
147.08255	0.6
149.09729	16.3
150.10057	0.5
151.07661	35.8
151.11174	2.3
152.08022	1.3
153.05612	0.6
153.09230	1.4
155.07152	1.1
159.08171	0.9
161.06096	0.5
161.09726	7.0
163.07639	2.7
163.11285	1.8
164.08406	2.2
165.09230	1.1
167.10725	2.4
169.08701	3.7
173.09749	0.7
175.07614	0.6
175.11301	3.2
177.09251	4.9
179.10788	26.6
180.11142	0.5
181.08696	0.5
183.29535	0.4
189.09155	0.6
191.10721	0.7
193.12338	12.0
194.12646	0.6
197.11832	3.3
200.80174	0.6
203.10764	1.6
205.12361	3.7
211.13412	1.6
221.11812	3.0
223.13412	21.2
224.13763	1.1
239.12901	0.7
241.14464	62.9
242.10257	0.9
242.14734	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	241.1085
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.44704	0.7
57.03442	1.9
69.03454	3.0
71.05030	5.3
74.77051	0.6
78.06310	0.6
79.95753	1.9
83.05029	1.8
85.02972	0.7
123.08174	1.2
125.09730	2.5
139.07599	0.9
151.11333	1.1
153.12859	2.9
160.09297	0.6
161.06120	5.2
161.09766	0.9
179.10767	6.7
197.06128	4.2
197.11847	100.0
198.12195	3.9
223.09731	2.7
241.01859	4.5
241.05127	2.2
241.10838	70.1
242.11060	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	241.1235
Annotation	Bisphenol B
Peak:m/z	Relative Intensity
55.01902	0.1
55.03748	0.1
65.03975	0.1
68.06781	0.1
69.74892	0.7
93.03493	0.2
107.05038	29.0
108.05398	0.7
109.02960	0.3
122.03767	0.5
125.02429	0.3
134.03772	0.1
135.04539	61.2
136.04866	1.9
149.02426	0.7
149.06097	0.8
150.06921	0.2
151.05247	0.1
165.05643	0.6
167.03580	0.2
181.10271	0.6
184.00160	0.4
185.06197	0.2
197.09724	0.3
211.07753	0.3
225.09224	7.8
226.10002	56.2
227.10361	2.9
230.09491	0.4
241.12352	100.0
242.12686	5.9
258.09109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60138	0.7
51.42208	0.6
59.01382	0.8
66.91171	0.6
68.99821	0.8
69.63513	0.6
70.03281	0.6
76.98073	0.5
77.44914	0.6
89.90047	0.7
93.03455	1.6
95.01378	1.7
106.04243	4.3
107.05035	0.8
108.02180	4.3
109.02976	1.0
119.05003	0.9
121.02971	44.6
122.03711	2.1
125.02480	0.7
135.04532	1.1
137.02446	3.5
139.07623	1.7
150.03235	0.9
171.08192	1.0
195.08197	1.4
197.09735	100.0
197.15479	2.4
198.10085	5.1
213.09262	4.0
223.13489	0.8
226.02785	0.7
226.10281	0.8
227.16623	0.7
229.72165	0.8
241.08731	62.1
241.14130	4.3
241.18065	2.5
241.21657	3.2
242.09190	3.3
242.22127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0873
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
61.98845	0.4
63.02386	0.6
68.99831	1.9
70.66966	0.4
71.54909	0.6
81.03450	2.6
91.01901	5.2
93.03474	0.7
97.97987	0.4
103.56264	0.4
108.02202	2.4
109.26675	0.4
111.00946	0.4
122.03751	23.8
123.00890	1.3
123.04057	0.6
125.02458	2.3
136.01686	1.1
137.02446	3.0
139.07613	0.4
139.59953	0.4
150.03246	4.3
153.01955	1.2
154.02649	0.5
156.05856	0.7
165.01944	1.4
169.06584	3.3
169.10242	2.3
171.08180	9.3
172.08517	0.6
182.02240	2.7
184.00188	0.8
195.08153	0.8
197.15552	0.4
213.09229	53.6
214.09535	2.8
222.98863	0.5
223.13533	0.4
225.05566	1.2
226.02818	0.6
239.07172	6.4
241.08725	100.0
241.18095	11.9
241.21753	1.5
242.09058	5.8
242.17992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0873
Annotation	RESVERATROL 4'-METHYL ETHER
Peak:m/z	Relative Intensity
57.03450	0.6
59.01382	0.5
70.65859	0.5
70.66200	0.3
70.66378	0.2
71.95798	0.2
73.02958	0.2
79.05537	3.4
83.01397	0.4
87.32357	0.3
87.94933	0.2
88.80229	0.2
95.05064	0.4
98.33694	0.3
107.05044	5.5
111.00948	0.4
122.03669	0.3
122.30372	0.3
125.06120	0.3
129.07101	1.4
130.04236	0.3
132.02206	0.4
133.02953	1.0
135.04530	0.8
139.07668	0.7
143.08699	0.5
155.08699	0.9
156.05814	0.6
157.06596	14.6
158.06970	0.5
159.04504	0.7
167.04958	0.4
169.06586	0.7
170.07404	0.5
171.08167	0.4
173.05969	0.3
180.05829	0.6
181.06613	3.3
182.07344	0.9
183.04475	0.5
195.08215	1.2
196.05376	0.4
196.08760	0.3
197.06097	0.6
197.09758	8.3
197.11659	0.5
197.15506	0.7
198.06931	0.3
198.10098	0.5
199.07674	10.1
200.08066	0.4
201.05611	1.3
211.07710	1.1
213.09282	1.0
223.07713	0.8
223.13495	0.6
225.05498	1.4
226.06242	0.5
226.10002	0.9
241.08728	100.0
241.18074	1.4
241.21736	1.2
242.04781	0.3
242.09050	5.9
242.17567	0.4
242.21588	0.4
257.76202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01730	0.2
68.99825	0.8
69.40681	1.4
74.20137	0.2
151.05550	1.8
153.07126	1.5
155.05142	0.2
169.06633	1.8
181.06587	0.3
184.00168	0.3
195.04469	1.2
197.06094	59.4
198.06435	2.9
212.07979	0.3
223.04146	0.3
224.04767	2.0
225.05586	100.0
226.05928	5.1
240.07936	19.1
241.08141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0832
Annotation	1-(2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
Peak:m/z	Relative Intensity
59.01384	4.0
62.98952	2.9
69.25803	2.5
71.53714	3.4
72.04559	3.5
82.03018	3.9
85.02940	5.9
88.96680	2.8
96.96016	32.0
98.06118	5.4
102.05616	3.1
121.02988	4.9
125.03583	9.6
137.47154	3.0
151.05106	20.8
153.01318	10.8
154.06984	53.7
164.04822	4.6
179.08321	5.0
193.22598	3.1
197.04472	3.6
197.09512	4.3
198.06024	17.1
198.07637	5.0
205.76480	2.9
241.03963	22.7
241.08424	100.0
241.14537	5.0
241.21736	7.3
242.08672	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	239.1292
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
54.15344	0.5
58.63044	0.6
59.01384	5.9
67.01878	0.5
71.54772	0.9
85.02934	0.6
87.00851	0.5
91.01894	2.0
95.01363	0.6
97.06596	0.5
121.02919	0.5
135.00935	2.6
138.38112	0.6
148.01643	1.2
155.05016	1.1
167.05016	1.4
177.12869	3.2
179.05646	2.6
183.04646	0.9
195.04530	1.7
195.13916	100.0
196.14265	4.8
197.06111	3.9
203.10780	1.0
211.03976	1.9
221.11841	0.8
239.03560	6.8
239.07158	11.6
239.10753	1.1
239.12885	9.7
239.16541	1.5
240.03815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2019
Annotation	10Z-pentadecenoic acid
Peak:m/z	Relative Intensity
53.71146	0.5
53.93833	0.4
57.03454	0.5
59.01117	0.5
59.01385	6.2
65.00340	0.5
69.22277	5.0
69.22680	1.0
71.01378	1.3
78.37945	0.5
93.36178	0.6
95.01354	0.6
98.20593	1.0
123.00863	0.8
166.54344	0.5
179.05614	1.4
195.13963	1.2
203.52603	0.6
207.04117	1.0
223.02853	1.2
239.06796	4.8
239.20184	100.0
240.20535	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	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.92555	0.4
54.15599	0.4
54.51894	0.4
57.03452	0.6
59.01379	1.2
69.98488	2.2
84.80927	0.4
95.05032	1.3
101.06093	7.8
109.06596	5.7
111.08157	6.0
122.03745	0.8
125.09707	0.7
135.11865	0.4
138.06879	1.3
139.04027	14.0
139.07686	0.6
140.04347	0.5
151.11333	0.6
154.06374	32.7
155.06676	0.7
165.12924	0.5
167.14438	10.6
179.10788	5.6
182.05869	3.7
193.59604	0.5
195.13921	100.0
196.14221	5.0
207.40553	0.4
217.91881	0.5
239.12920	5.5
239.16512	1.1
240.13216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0717
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
54.34890	0.4
57.03434	0.5
59.01382	3.4
64.24655	0.5
65.00311	0.4
65.03965	1.0
66.48053	0.4
66.87515	0.4
67.01906	3.7
68.12000	0.5
69.47269	2.2
69.47669	0.5
85.02927	0.6
87.00902	0.5
91.01905	31.1
95.01374	0.5
96.23954	0.4
96.96021	2.4
101.06074	0.6
104.02670	0.5
108.02183	1.7
109.02959	5.6
109.06596	0.8
135.00899	26.1
139.03999	2.4
141.07085	0.8
148.01675	6.3
148.05318	1.1
151.11307	0.7
153.01945	7.2
154.06390	3.1
161.04567	0.5
167.08630	1.5
167.14401	1.0
169.06602	1.9
179.05632	2.1
179.10796	0.6
180.00642	0.8
181.18202	0.4
193.06694	0.9
195.08157	4.6
195.12079	0.9
195.13896	9.3
197.06107	15.3
198.06557	0.4
211.07690	0.7
221.18187	0.5
223.02896	0.6
239.07153	100.0
239.10638	8.8
239.12793	1.9
239.16426	3.6
240.07480	4.8
240.11224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0564
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
58.00591	2.6
59.01384	4.3
69.42846	7.7
72.99316	41.5
73.02954	1.5
73.46726	0.9
73.47359	0.9
87.00874	3.7
88.11440	1.0
89.36372	1.0
91.05544	26.0
93.03483	1.7
106.04242	1.7
107.05034	11.5
108.02247	1.4
115.05571	5.5
117.03476	10.7
121.02939	3.4
128.56874	0.9
131.05055	8.0
133.06619	13.7
135.04533	3.1
147.04536	3.2
149.06091	100.0
149.91739	1.0
150.03207	7.9
150.06406	3.8
159.04501	1.4
163.04033	24.2
165.05556	1.6
177.05586	42.9
177.07146	2.4
178.05962	1.2
179.03522	34.7
180.03906	2.1
193.05014	1.8
195.06636	3.7
209.04558	5.2
218.48413	0.9
221.04556	1.6
239.05627	93.2
240.05960	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	239.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19591	0.3
57.01876	0.4
59.01381	1.5
63.04269	0.4
65.00311	0.6
70.68153	0.8
70.68514	0.8
79.63030	0.4
87.00898	0.5
91.01907	30.1
91.57147	0.4
92.02241	0.6
95.01373	0.5
96.96037	0.7
105.01375	0.3
108.02165	0.6
109.02996	1.8
125.88956	0.4
133.06619	1.7
135.00900	22.5
136.01285	0.5
141.07124	0.4
143.05002	0.6
148.01675	3.3
153.01967	5.3
164.72188	0.4
167.08646	0.6
169.06551	2.0
171.10318	0.5
179.05605	1.1
180.00705	0.7
195.08179	1.4
195.13922	9.2
197.06097	42.8
198.06422	2.2
211.07721	0.7
239.07159	100.0
239.12715	2.0
240.07477	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	237.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	10.6
57.03452	8.0
58.00581	3.3
58.00835	0.8
58.02280	0.7
59.01384	79.5
66.64352	1.2
70.22500	0.8
71.01389	93.0
71.53140	0.9
72.99296	4.2
73.02954	39.6
75.00874	4.9
75.04541	0.9
81.03426	0.9
83.01394	19.9
84.02183	1.1
85.02958	55.3
87.00884	8.5
89.02454	13.8
95.01394	6.0
97.02957	2.8
97.12486	0.8
99.00896	14.2
101.02452	100.0
107.33287	0.9
111.00880	2.6
113.02456	38.4
119.03491	3.6
125.02439	2.2
129.01942	2.4
129.77278	0.8
143.03505	3.7
149.29176	0.9
159.02997	7.9
161.04573	35.6
199.90990	1.0
201.21346	0.9
237.09821	20.8
238.10103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97434	0.4
59.01384	1.0
65.00323	1.0
66.84322	0.4
68.85685	0.4
69.22895	0.4
69.82510	0.4
71.01387	1.7
73.02952	0.4
83.01422	0.4
85.02981	0.7
88.04043	0.6
93.03471	0.6
95.01434	0.6
101.02462	1.5
107.05050	0.9
113.02454	0.6
117.03391	0.5
119.01397	2.9
120.62494	0.4
121.02962	1.5
127.20850	0.4
129.84679	0.4
135.04543	0.9
145.02957	0.5
146.03751	3.1
147.00888	12.4
149.02399	1.0
151.04039	2.2
156.72913	0.4
161.02451	1.3
164.01135	1.5
165.01904	0.6
175.00427	0.8
178.02774	2.1
179.03513	38.4
180.03844	1.4
193.04967	0.5
207.02997	100.0
208.03400	3.9
208.05305	0.6
221.04486	1.1
222.05345	81.8
223.05685	3.5
226.92783	0.5
229.05312	0.5
237.07513	27.6
237.14925	0.6
238.08005	1.2
257.89545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	10.9
56.77128	1.4
57.03456	8.0
57.41325	1.3
58.00603	4.2
59.01384	76.2
64.09517	1.3
71.01389	98.2
71.53083	1.7
72.99314	6.9
73.02955	42.9
74.02479	1.8
74.99116	2.6
75.00890	12.1
76.88680	1.3
83.01394	21.1
85.02958	67.5
87.00882	51.9
89.02454	16.1
94.89555	1.3
95.01399	6.8
96.96006	2.0
97.02947	2.4
99.00900	14.4
101.02453	100.0
111.00910	4.2
113.02459	37.5
119.03554	3.2
120.99656	2.8
125.02458	3.1
129.01936	8.7
138.05595	2.2
143.03548	5.9
159.03033	10.5
161.04565	36.0
175.04060	2.7
194.08211	1.6
204.10065	1.4
205.03584	4.7
237.04207	4.7
237.06245	7.7
237.09816	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	237.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.3
65.00351	1.2
71.01409	1.4
71.55031	0.5
73.02985	0.4
75.69799	0.4
85.02972	0.7
88.08688	0.3
89.02477	0.5
91.05535	2.8
93.03474	0.5
96.96025	0.4
101.02470	1.4
101.06057	0.4
107.05065	0.7
109.84744	0.4
113.02505	0.6
117.03481	3.8
119.01400	3.3
119.05055	1.1
120.99612	0.4
121.02975	0.6
123.04552	0.5
135.04538	1.1
147.00896	13.7
148.01581	0.5
149.02489	1.4
151.04050	2.7
161.04630	0.7
164.01173	1.8
165.01962	0.4
175.00412	0.8
179.03511	36.8
180.03853	1.3
193.04987	0.6
207.03000	100.0
208.03299	3.3
219.14018	0.6
221.04637	1.8
222.05345	81.3
223.05724	3.0
237.07672	25.1
237.09514	7.3
237.14841	3.4
238.07889	0.9
246.17815	0.4
252.37558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.077
Annotation	3-Epiradicinol
Peak:m/z	Relative Intensity
59.01387	0.8
67.01904	2.1
71.01385	1.0
73.02962	0.3
79.05534	1.8
80.61919	0.3
81.51064	0.3
84.68781	0.3
85.02965	0.7
87.00879	0.3
91.05547	1.8
93.03474	0.6
94.01920	0.3
101.02441	0.3
105.03465	0.9
107.05041	10.7
112.40673	0.3
113.02489	0.3
117.03509	0.4
121.02962	4.8
122.03751	4.6
123.04541	4.4
128.06926	0.3
129.07076	0.3
131.08650	1.0
133.06529	0.5
135.04541	13.7
136.04825	0.4
141.45598	0.3
149.02422	0.8
149.09822	0.3
157.06555	1.8
159.04492	2.3
160.05275	1.0
161.42816	0.3
165.01952	9.9
166.02628	0.8
167.03514	0.6
173.06126	0.4
173.07860	0.3
175.07655	33.7
176.07983	1.6
179.03499	0.6
193.08681	0.6
201.05522	2.0
219.06689	3.9
237.07700	100.0
238.08012	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	237.0616
Annotation	3-Deoxyoctulosonic acid
Peak:m/z	Relative Intensity
51.30582	0.5
55.01877	2.0
57.03445	3.0
58.00598	0.7
59.01384	14.0
70.22385	1.7
71.01387	15.7
72.99301	2.0
73.02947	5.0
74.02474	0.6
74.99123	0.9
75.00878	17.2
83.01385	2.9
85.02956	9.4
87.00883	100.0
88.01215	1.1
89.02455	4.5
89.96165	0.5
95.01402	1.0
95.40039	0.5
96.96027	0.5
97.03000	0.8
99.00900	2.9
99.42274	0.5
101.02455	13.4
111.00898	0.7
113.02459	5.7
117.01926	0.5
119.03504	1.2
121.04105	1.0
121.05374	0.6
125.02521	0.8
129.01955	13.0
138.05591	0.5
143.03491	0.6
149.02544	0.7
149.06107	0.7
151.38126	0.4
159.03008	1.3
161.04581	5.1
194.08266	1.1
205.03607	0.7
237.00441	0.5
237.03867	1.2
237.06157	17.9
237.09747	2.7
255.77594	0.5
257.66049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12033	0.8
64.89813	0.7
71.01389	18.9
80.38770	0.8
80.74918	0.7
89.16763	0.7
95.52464	0.7
100.48939	0.7
115.00392	10.0
121.02970	100.0
122.03312	3.2
132.46355	0.7
141.13155	0.8
186.70728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0619
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03452	1.4
59.01389	2.7
69.90808	0.9
71.01395	2.2
73.02946	0.4
75.00882	6.0
78.95919	1.0
83.01388	0.3
85.02948	1.7
87.00885	100.0
88.01228	1.1
89.02460	0.9
99.00900	0.3
101.02455	0.7
111.00850	0.4
129.01961	10.9
130.02367	0.4
138.45963	0.3
163.30040	0.2
210.96010	0.3
219.05241	0.7
237.06175	8.9
238.06458	0.4
252.91035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
59.01393	3.9
60.72590	0.4
61.65194	0.4
67.33189	0.4
70.18131	0.9
70.18501	0.8
71.01391	1.9
75.00882	9.5
78.95906	1.3
85.02956	1.8
87.00883	100.0
88.01226	1.4
89.02448	1.6
94.48146	0.4
101.02460	0.8
111.00909	0.7
113.02450	0.5
129.01961	11.6
130.02278	0.5
162.97215	0.4
190.90370	0.5
210.96025	0.7
219.05067	0.9
227.95294	0.4
237.06155	13.2
237.08537	0.9
238.06569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
70.66209	0.5
70.66531	0.3
76.43083	0.2
101.02463	0.3
113.64169	0.2
121.97369	0.2
134.03751	0.7
135.04498	0.6
136.05305	0.3
148.05322	10.4
149.05951	0.4
149.09721	1.5
154.24748	0.2
162.06853	0.4
175.07594	0.4
176.08417	0.9
177.09222	43.9
178.09570	1.6
190.09976	1.9
191.10767	0.9
192.11575	34.0
193.00752	0.2
193.11942	1.8
201.09212	0.6
203.07164	0.7
217.08699	4.0
218.09483	9.1
224.10446	0.3
236.10548	100.0
237.10947	5.6
257.26846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22271	0.7
69.80633	3.5
71.01389	12.9
76.13401	0.6
91.02351	0.7
102.03481	0.8
115.00380	32.9
119.05045	1.0
120.04563	100.0
121.02966	23.4
121.04851	3.3
130.06664	1.0
133.94897	0.6
139.26994	0.7
145.65556	0.6
146.06175	1.1
147.04520	1.0
148.07684	9.5
164.07115	1.3
174.05614	14.4
179.40771	0.6
192.06683	34.7
193.06970	1.0
197.18304	0.6
218.04565	5.3
220.98006	0.6
236.05646	45.7
237.05948	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	236.093
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
59.01379	3.1
61.28008	0.6
68.95005	0.7
71.01382	5.7
71.53150	1.2
72.00914	2.0
72.10812	0.7
72.99343	1.0
73.02950	3.9
74.99104	1.4
80.96523	1.2
82.02950	0.6
83.01396	0.9
85.02967	2.4
86.02493	0.8
86.90714	0.7
87.00886	2.6
88.04050	100.0
89.04402	0.8
91.05541	2.3
96.96009	1.5
97.03033	0.7
100.04059	10.8
101.02441	2.7
107.05063	1.2
115.00388	1.3
117.05595	0.8
118.06668	1.2
119.04992	0.7
120.04557	2.6
121.02940	1.6
121.04112	1.8
135.04588	1.2
136.99078	1.1
146.09752	4.7
147.04541	17.7
149.06081	3.2
161.04662	1.3
162.05612	1.3
164.07176	19.3
172.07674	1.0
174.09241	2.5
175.04031	0.7
190.08716	3.2
192.06642	1.3
192.10327	16.0
193.04976	1.5
193.10616	1.0
201.77568	0.7
207.03026	0.9
221.04251	1.0
236.05540	2.3
236.09299	64.7
237.04259	1.3
237.07744	3.0
237.09662	2.1
248.94820	0.7
252.29959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25651	0.2
59.01381	4.6
69.03454	0.2
69.81081	0.4
69.81503	0.8
71.01385	0.6
83.05029	0.9
85.02980	0.3
97.06600	0.2
98.20611	0.3
101.02420	0.2
115.28508	0.2
148.05392	0.3
149.06111	0.2
151.07617	0.2
163.00291	0.2
163.14963	0.6
191.18034	2.0
217.15955	1.5
219.13734	0.2
220.03772	0.2
233.15417	1.4
235.17043	100.0
236.10535	0.3
236.17380	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	235.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08912	0.4
57.03450	0.8
57.93698	0.3
59.01372	0.7
59.11570	0.3
59.76612	0.3
63.97326	0.3
71.00407	0.7
120.05836	1.7
126.31747	0.3
133.06599	1.7
147.08159	0.9
157.01704	0.3
163.11298	14.0
164.11600	0.8
174.10406	0.3
175.11320	1.4
191.14417	4.7
217.15979	7.4
219.96165	0.3
233.15491	10.9
234.15915	0.4
235.17044	100.0
236.17393	5.7
250.30528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1706
Annotation	Atlantolone
Peak:m/z	Relative Intensity
50.04605	0.3
59.01386	6.5
59.52411	0.3
61.98829	0.5
63.09260	0.3
66.64107	0.2
69.03489	0.4
71.01382	1.0
71.54512	0.4
79.95757	0.4
83.05061	0.7
84.85426	0.3
85.02937	0.5
85.96251	0.3
92.92811	0.5
94.03014	0.3
98.54198	0.3
101.02486	0.5
103.54980	0.3
104.72868	0.3
112.72788	0.3
113.02481	0.3
129.24330	0.3
133.02940	0.3
147.04478	0.3
148.01633	0.4
148.05263	0.3
151.07628	0.3
163.00356	0.4
163.03966	0.4
163.07671	0.3
163.14888	0.8
173.06091	0.6
177.09177	0.3
185.51628	0.3
191.07072	0.5
191.18073	2.3
217.16019	1.4
218.09540	0.3
233.15495	1.3
235.05963	1.4
235.17052	100.0
236.10507	0.4
236.17389	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	235.1705
Annotation	1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
59.01387	1.2
69.77680	1.4
71.01425	0.4
73.02960	0.2
101.02447	0.3
107.75409	0.2
118.39277	0.3
125.35110	0.2
141.34151	0.3
169.51389	0.2
200.99026	0.3
235.17049	100.0
236.17377	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	235.0614
Annotation	Orthosporin
Peak:m/z	Relative Intensity
57.03452	0.7
57.92947	0.4
59.01365	0.6
65.03967	0.9
69.03448	1.0
71.01358	0.6
71.55509	0.6
74.74537	0.3
80.02641	0.6
89.34663	0.3
93.03468	3.3
95.01397	0.6
95.05040	5.4
96.78299	0.4
103.05522	0.7
105.03498	1.8
108.02190	3.3
109.02943	1.3
117.07089	0.9
119.05045	1.0
119.08709	1.9
121.02969	7.1
122.03764	4.6
129.07103	1.1
130.04247	7.7
131.05046	1.4
132.02190	2.5
133.02977	3.5
135.00888	0.5
137.02644	0.4
143.05069	2.4
144.05809	1.5
145.02974	1.2
145.06609	6.3
146.03741	1.3
147.04530	4.9
147.08192	1.3
148.01665	2.6
148.05228	0.7
149.06024	0.5
157.94981	0.4
158.03737	14.9
159.04420	0.7
161.06088	3.2
163.07661	7.3
171.04535	1.2
172.05309	6.2
173.06082	43.3
174.03227	0.9
174.06456	1.8
175.04111	0.4
176.04782	1.1
187.04042	1.2
189.05577	1.0
191.03535	1.0
191.07170	5.1
191.11766	0.5
191.14505	0.4
192.00684	0.4
192.48077	0.5
199.04091	0.7
202.02669	2.0
217.05060	52.5
218.05339	2.3
235.06125	100.0
236.06433	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	233.1548
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
59.01379	1.1
59.10732	0.3
69.18690	0.4
70.66247	0.7
70.66560	0.5
85.06596	22.5
85.15994	0.4
86.06956	0.4
105.62808	0.4
107.05054	0.9
120.05815	11.1
131.48871	0.4
133.06638	1.2
135.08176	100.0
136.08490	3.7
147.08173	10.5
147.09361	0.4
152.04810	4.4
152.06012	0.6
163.11346	2.3
173.91364	0.4
201.75891	0.4
215.14384	0.6
226.22343	0.4
233.15488	79.6
234.15816	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	233.1549
Annotation	5-(4-Hydroxy-5-methyl-1-methylene-5-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
55.26036	0.2
57.03454	12.0
59.01387	1.3
69.94061	0.9
98.20015	0.3
120.05820	20.3
121.06621	0.9
122.03745	0.7
123.75324	0.3
133.06601	3.3
147.08206	0.3
152.04802	5.6
153.05145	0.3
161.09763	0.4
163.11298	100.0
164.11624	4.3
175.11295	9.0
215.14336	0.4
233.15475	78.6
234.15811	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	233.1549
Annotation	Confertifoline
Peak:m/z	Relative Intensity
59.01385	5.3
69.48634	1.7
69.49039	0.5
71.05045	0.4
74.43087	0.3
75.00883	1.0
78.76875	0.3
79.95811	0.3
80.62341	0.3
91.37908	0.3
93.03474	0.6
96.96017	0.3
97.02956	0.4
107.05048	0.4
133.06606	3.0
135.08173	13.2
136.08492	0.4
147.08179	0.9
149.06123	0.5
151.04008	0.5
152.91791	0.7
161.09714	0.7
163.11282	2.1
163.88579	0.4
172.88022	0.7
173.04529	0.9
173.09750	0.9
175.11292	4.7
189.12874	0.5
190.98689	0.8
191.10803	4.5
203.14395	0.7
205.15945	0.6
215.14401	1.0
231.13933	1.2
233.15479	100.0
234.15800	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	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31073	0.4
53.19880	0.4
59.01387	0.8
59.96732	0.7
60.97509	0.8
69.20570	4.1
71.09581	0.4
74.12974	0.3
74.99081	9.5
76.44364	0.4
91.02200	0.8
93.00142	1.9
96.10567	0.4
106.69196	0.4
118.96282	1.9
125.11880	0.4
134.99413	9.7
135.08177	0.5
136.97324	2.8
143.05380	1.6
149.00972	76.9
150.00874	2.6
150.98859	1.1
159.08490	1.1
161.05159	0.6
161.06412	3.9
165.64449	0.4
215.05696	1.3
217.07227	99.3
218.07343	5.9
233.10361	100.0
234.10495	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	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	8.1
59.01384	100.0
60.01704	10.7
67.01909	5.8
68.99800	5.3
71.01388	53.6
71.05025	3.8
71.53828	6.4
72.99313	4.6
73.02959	11.6
81.03455	4.1
83.01398	8.2
83.05035	5.7
85.02960	8.9
87.00850	5.5
89.02448	8.5
93.03458	5.7
99.00909	17.4
101.02452	13.6
109.02973	5.3
111.00893	17.6
111.04569	3.8
113.02539	4.9
117.03510	3.7
118.12454	4.7
122.58443	3.3
127.00315	4.1
129.01974	20.1
129.02740	3.3
145.00914	12.5
151.03970	9.5
153.02020	4.6
153.05511	3.6
173.04544	9.3
188.99881	10.0
189.01926	7.3
192.28081	3.8
215.09204	7.8
232.98889	13.3
233.04567	5.5
233.06609	7.1
233.10352	37.2
233.15454	73.6
242.50917	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	232.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04768	0.4
52.72223	0.4
54.26962	0.4
57.03475	0.4
59.01385	6.0
71.01389	6.5
71.54041	0.4
71.54404	0.6
75.59023	0.4
85.06598	21.2
88.04050	100.0
89.04404	0.9
93.03473	0.5
96.95991	0.4
105.28551	0.4
113.06084	4.1
116.03499	0.8
130.08757	1.8
133.43025	0.4
142.06233	0.4
145.03308	0.5
153.05408	0.4
155.20898	0.4
160.09810	18.6
161.02405	0.6
161.10106	0.5
162.05527	0.4
188.07419	0.4
189.05466	0.4
204.06647	0.7
232.06224	1.2
232.11903	15.6
233.01405	0.4
233.04524	0.7
233.08253	0.6
233.10226	0.9
233.15498	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39287	0.8
58.02983	1.0
58.60993	0.8
59.01382	100.0
60.29234	0.6
68.72591	0.6
71.01379	4.1
71.01723	0.6
71.53804	1.1
71.62453	0.5
73.02960	1.6
75.43577	0.7
81.78134	0.7
82.03021	1.0
83.05044	1.2
85.02969	1.6
86.06129	0.9
88.04047	5.1
89.02428	1.2
98.02496	1.8
99.00887	1.0
100.04070	1.0
100.92918	0.7
101.02425	0.8
103.04033	2.4
111.00913	0.8
112.04068	1.5
112.07756	1.3
114.05605	0.8
115.71360	0.7
116.07194	1.8
126.05679	0.7
126.16426	0.7
128.03612	0.8
128.07175	1.4
130.05113	1.8
132.03044	1.0
143.03543	0.9
158.08266	0.7
172.09802	5.9
186.07761	1.3
188.09334	2.8
190.10835	1.4
199.77849	0.7
215.09105	0.6
223.10463	0.8
232.08237	6.8
232.11729	3.1
233.10422	1.6
233.15541	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	232.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95528	0.9
58.27212	0.8
59.01369	1.9
65.64248	0.7
70.02983	61.3
71.55585	1.2
79.96931	0.7
83.15129	0.7
86.07267	0.7
91.05531	8.4
96.99318	8.7
114.01978	100.0
115.02288	1.4
116.05106	0.9
117.03470	32.1
117.07096	1.1
117.70998	0.7
118.03838	1.3
118.06653	1.3
122.39018	0.7
134.06137	17.9
144.08217	1.4
145.04970	0.8
145.06596	1.4
146.06134	7.0
152.03615	0.9
160.07669	3.7
172.04080	1.6
188.07106	6.8
198.80771	0.7
232.06152	2.7
232.10693	0.9
233.15436	3.0
239.46559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	8.0
59.01383	3.2
70.02982	1.9
71.01398	1.5
71.05022	3.8
71.53771	1.7
72.04553	40.6
72.99287	1.5
73.02976	2.2
80.96552	1.8
81.02223	2.2
82.02992	23.7
82.31985	1.4
83.01389	29.8
83.05039	2.7
84.04546	1.7
85.02957	8.1
86.06122	2.3
96.04601	2.4
98.02489	65.4
98.06129	2.4
100.04061	9.1
100.04767	1.5
100.07687	24.7
101.02456	2.0
102.09238	2.1
107.05012	2.0
108.04568	2.1
110.06126	12.7
111.04539	2.3
112.04042	4.6
112.09638	1.5
114.00196	4.8
114.05616	4.6
116.07196	2.2
126.05625	6.0
128.07185	18.3
129.90601	1.5
130.08734	3.8
136.07703	3.4
138.05624	2.1
138.09261	1.8
140.10814	6.4
142.03304	5.9
150.05597	2.8
151.04004	4.4
156.06602	2.6
156.10306	26.1
158.11887	17.2
166.08752	3.3
167.06273	1.4
168.06638	1.5
168.10342	7.5
169.08675	2.7
184.09804	40.5
186.02202	1.8
186.11365	100.0
202.07469	1.5
213.11269	1.7
230.01263	4.6
230.10341	96.9
230.15573	2.6
230.99773	2.8
231.08658	3.7
231.10841	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	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53146	0.6
59.01377	0.9
67.08008	0.6
70.02974	1.6
71.01387	12.7
71.55501	1.0
88.04047	100.0
89.04382	0.8
96.99320	5.5
103.37756	0.5
114.01974	7.4
114.09256	71.5
114.99580	0.8
115.00382	21.7
115.07658	31.4
115.09593	1.3
116.08023	0.9
132.03024	3.4
140.10825	1.0
151.04036	2.4
168.10333	4.5
186.11363	26.1
186.13036	1.3
187.07663	1.4
201.05602	0.8
212.09305	6.0
230.10341	43.6
231.10652	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	230.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21325	0.8
59.01381	1.7
59.29579	0.7
60.73192	0.8
63.88078	0.9
68.92975	1.0
69.68616	3.3
69.69051	2.3
70.02983	2.4
71.01385	12.1
82.99855	0.8
86.47937	0.8
88.04050	100.0
88.39715	0.8
89.04385	1.1
96.99324	5.6
99.09393	0.8
100.07668	1.9
114.01993	6.4
114.09258	85.8
115.00386	27.2
115.07659	29.1
115.09579	2.2
132.03046	5.7
137.43709	0.8
140.10840	1.6
157.69901	0.9
168.10287	4.2
174.10260	0.8
181.47859	0.7
186.11369	30.8
186.13017	1.6
187.11690	2.0
212.09270	7.4
230.10341	56.4
231.10536	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	230.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80179	0.5
54.02215	0.5
59.01387	2.0
62.30202	0.5
64.94991	0.5
70.02979	1.3
71.01390	12.1
71.54807	0.6
71.55224	0.8
88.04049	100.0
89.04380	1.7
96.99313	4.8
114.01993	5.6
114.09259	85.9
115.00385	23.3
115.07665	29.1
115.09518	1.2
116.00662	0.6
130.08743	1.9
132.03041	5.6
140.10837	1.3
150.14917	0.6
168.10332	4.7
186.11369	29.2
212.09312	7.0
230.10344	55.0
231.10744	1.9
242.03265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18095	0.7
58.02963	1.1
59.01369	2.7
63.31989	0.8
66.03471	1.3
70.99639	1.2
71.01369	2.5
71.53418	1.2
71.53807	1.0
72.04552	2.0
72.99305	2.3
73.01173	6.4
73.04070	4.0
80.05069	2.1
82.02998	8.3
96.04562	28.3
98.02499	2.5
98.99097	5.2
100.04031	2.0
101.02462	1.7
108.04564	26.8
114.00205	90.3
114.05601	2.3
115.00485	1.6
118.19637	0.9
130.08760	26.8
142.03334	100.0
143.03658	3.3
143.11900	7.0
151.03987	2.2
184.09857	1.8
186.02306	42.0
186.07829	2.0
186.11327	2.5
187.10886	28.1
212.47688	0.9
230.01285	77.0
230.06729	3.1
230.10306	7.4
230.15620	1.1
230.99571	1.0
231.01636	1.8
231.08710	2.5
231.13620	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	229.0872
Annotation	Hibiscoquinone C
Peak:m/z	Relative Intensity
55.34809	0.5
57.03421	0.4
64.90473	0.4
70.00085	1.5
76.13033	0.3
80.02669	0.4
93.03497	0.9
93.58164	0.3
95.01394	0.6
108.02193	4.5
109.11911	0.4
121.02980	2.4
123.04543	1.1
133.02957	1.0
135.36414	0.4
141.07149	0.9
143.05002	0.7
144.05794	0.8
145.06602	0.5
146.03737	0.4
149.13406	0.7
157.06578	0.6
159.04550	1.1
168.18156	0.4
169.06606	1.8
170.07372	3.2
171.04535	4.7
172.05225	1.1
184.05333	0.9
185.02472	0.5
185.06100	17.2
186.06879	28.5
187.07220	1.6
193.12357	0.6
197.06001	0.6
197.11833	0.5
198.03296	1.1
199.04053	6.1
199.07652	0.4
200.04700	0.6
201.01768	0.4
201.09142	0.4
211.13396	0.6
212.04800	0.7
213.05594	10.8
214.06378	82.1
215.06677	3.6
227.07159	1.6
228.04362	0.4
229.05013	3.0
229.08716	100.0
229.14252	2.8
230.09042	5.2
246.05403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98438	0.4
59.01362	1.4
70.02975	1.2
71.01385	7.9
71.55123	0.6
72.00907	0.5
88.04049	100.0
89.04367	1.0
96.99323	1.3
105.51125	0.4
108.02190	0.8
109.01722	1.2
109.02496	0.9
112.07676	3.0
113.06096	8.1
114.01979	7.6
114.02727	0.6
115.00384	15.9
123.73022	0.5
132.03040	62.4
133.03421	1.0
136.01756	0.7
166.08847	0.8
184.09787	3.0
184.14282	0.7
186.17690	0.4
194.01563	0.5
200.08061	1.2
210.07870	1.4
228.08968	15.7
229.05411	0.4
229.09012	0.6
229.11041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46224	2.6
71.05017	0.7
80.02678	2.6
81.03464	1.6
83.01393	0.4
83.05030	7.1
84.02178	3.7
95.05056	0.7
125.06080	1.1
125.09824	0.4
135.08150	1.1
147.11742	0.5
163.11296	6.0
165.12833	4.2
181.12411	0.8
183.13864	0.5
191.10791	1.5
209.11836	100.0
210.12189	4.3
227.12885	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	227.1291
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03451	0.4
59.01379	0.6
60.37370	0.2
69.97460	0.3
71.01374	0.3
71.05018	0.9
71.54815	0.5
80.02684	2.0
81.03452	1.7
82.56894	0.3
83.01369	0.4
83.05032	6.4
84.02177	3.4
93.03486	0.3
95.05042	1.0
97.06571	0.4
108.02241	0.3
109.02953	0.3
112.38412	0.3
113.06112	0.4
125.06111	0.6
125.09734	0.5
135.08174	0.9
136.01654	0.3
137.02480	0.3
147.11844	0.3
154.99730	0.3
163.11293	5.9
165.12871	5.4
181.12346	1.1
183.13911	5.0
184.39519	0.3
191.10805	1.7
199.07710	0.4
199.13470	0.3
209.11838	100.0
210.12184	4.6
227.03526	0.8
227.07300	1.2
227.08997	0.3
227.10826	0.6
227.12854	4.5
227.16475	0.4
227.20142	1.0
236.97197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03466	0.5
58.56903	0.1
59.01402	0.3
59.99503	0.1
69.03490	0.1
71.05058	0.2
71.55060	0.1
82.16722	0.1
83.05048	0.4
93.03454	0.2
94.54869	0.1
97.06638	0.1
111.00954	0.1
111.08170	1.0
121.02934	0.1
136.10219	0.1
153.09216	0.2
163.11314	0.3
165.12860	19.3
166.13164	0.8
181.12387	0.4
183.13913	100.0
184.14284	4.3
191.10909	0.2
199.13556	0.1
209.11845	4.9
210.12166	0.3
211.07527	0.1
212.08508	0.2
227.10899	1.1
227.12894	17.1
227.20204	0.5
228.13255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1292
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.03440	0.4
59.01383	0.5
64.05336	0.3
68.99153	0.3
69.45186	2.8
71.05023	0.7
71.13789	0.3
74.11961	0.4
80.02682	2.0
81.03462	2.0
81.64252	0.4
83.01421	0.5
83.05037	7.0
84.02190	3.9
95.05019	1.2
97.06568	0.5
109.06572	0.4
125.06113	1.2
135.08171	0.8
146.17499	0.4
147.11868	0.4
163.11311	6.7
165.12871	3.9
181.12369	1.1
191.10802	1.8
199.13470	0.7
206.12355	0.4
209.11855	100.0
210.12178	4.8
213.08888	0.4
227.12883	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	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.71672	0.4
57.03464	0.7
59.01387	5.7
60.99299	1.6
71.05025	0.8
72.99323	0.5
79.05525	0.9
81.03451	0.9
82.00066	0.5
83.05048	0.7
95.04988	0.5
97.06591	1.7
109.06615	0.8
123.08170	0.8
133.10201	0.8
135.11694	0.6
145.54892	0.5
147.11783	0.8
151.11281	1.2
153.12872	3.9
163.11299	1.7
165.12863	22.6
166.13141	0.7
179.10849	0.9
183.13887	1.4
191.10823	0.6
197.11816	4.3
209.00879	0.8
209.11855	9.2
225.11343	1.2
227.12903	100.0
227.71434	0.5
228.13272	4.3
229.39276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84222	0.4
67.30688	0.3
69.54403	1.6
69.54812	0.8
71.05031	0.5
71.78581	0.4
76.52618	0.4
80.02698	2.0
81.03453	1.6
83.05037	8.0
84.02174	2.8
95.05030	0.9
98.02492	0.9
109.06586	0.5
114.35384	0.4
125.06107	1.0
125.09738	0.5
135.08192	1.0
140.64096	0.3
163.11305	6.3
165.12849	4.5
181.12375	1.3
183.72897	0.4
191.10800	1.5
209.11844	100.0
210.12166	4.3
227.08167	0.4
227.12904	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0828
Annotation	Aaptamine
Peak:m/z	Relative Intensity
53.21609	0.8
57.03390	0.9
59.01367	1.6
68.01418	18.7
68.99813	16.0
69.99355	3.9
70.00955	0.8
70.02978	9.8
71.05039	1.0
72.99344	0.8
83.05042	2.3
84.00900	3.6
85.18761	0.9
95.16447	0.8
95.66767	0.8
96.00927	14.3
97.01696	16.4
98.02483	100.0
98.20705	1.1
99.02811	1.6
104.33772	0.8
108.02213	1.2
110.02453	4.1
112.00402	1.6
115.71452	0.8
116.05053	8.8
121.17453	0.9
130.06648	1.9
142.06657	0.9
157.07712	1.7
160.41753	0.9
163.11412	0.9
165.12860	3.1
183.13943	3.8
184.07710	1.7
199.13350	4.2
209.11829	23.3
210.12077	1.2
211.84410	1.0
227.08292	61.0
227.12828	9.6
227.20146	2.1
228.08603	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	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
60.42030	0.4
65.00338	0.7
69.03467	0.4
70.03004	0.4
71.05021	0.6
71.55585	0.7
78.43179	0.4
81.03503	0.6
83.05045	0.7
85.46856	0.4
91.47474	0.4
93.03478	1.0
97.02953	11.1
97.06600	0.9
99.00888	3.5
109.06601	3.5
110.03756	4.5
123.04524	0.5
125.09740	1.1
135.08180	1.6
136.05281	2.4
137.02409	0.5
142.02718	5.1
145.10228	0.6
147.61488	0.4
161.09773	1.2
163.11290	12.0
164.40207	0.4
165.01924	1.3
165.09171	0.6
179.10777	1.1
181.12358	31.7
182.12766	1.0
189.09261	1.0
195.03040	0.7
195.06712	0.5
197.11855	1.3
207.10268	73.7
208.10626	3.3
225.11328	100.0
226.11682	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
59.01385	52.3
65.00323	5.3
69.31523	18.3
73.01241	2.1
82.10110	2.4
83.05037	4.5
93.03461	6.8
95.05032	7.0
96.66307	2.2
97.06596	3.7
99.04484	2.5
109.06586	6.1
114.77621	2.1
135.08167	3.0
136.98813	8.5
137.02449	5.1
153.12862	5.4
163.00407	2.4
163.11296	39.0
165.01949	3.5
167.03581	2.2
178.99788	2.7
180.04253	4.1
181.12360	100.0
182.12645	4.4
195.02992	7.3
195.06760	5.5
206.99326	3.2
207.10271	17.1
210.05354	7.0
225.00339	3.5
225.05743	3.7
225.11336	86.4
225.14764	5.0
226.11771	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
59.01387	100.0
60.01730	1.0
69.03484	0.5
69.09100	0.4
70.01466	2.1
95.05041	0.5
95.68271	0.4
97.06592	3.0
99.06129	0.4
109.06567	0.7
135.08182	1.9
147.08170	3.9
151.11354	0.6
165.09286	1.6
181.12352	0.7
195.06641	0.8
207.10190	0.7
225.11346	30.7
226.11720	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	225.091
Annotation	Pinosylvin methyl ether
Peak:m/z	Relative Intensity
59.01368	0.2
60.92694	0.1
64.03164	0.1
65.00343	0.3
68.99828	0.5
69.03453	0.3
69.48441	0.1
72.88303	0.1
77.03973	0.3
79.01897	0.3
81.15366	0.1
82.00622	0.2
83.01405	0.6
91.01901	1.1
92.02715	0.6
93.03471	1.2
95.01377	0.7
106.04256	6.4
108.02190	0.9
109.02971	1.4
117.07122	0.2
120.02179	1.0
121.02974	4.7
123.00891	1.0
134.03755	13.7
135.00896	0.4
135.04077	0.3
136.01689	0.6
136.98816	0.3
137.02452	4.1
141.07114	0.5
143.08678	0.2
149.02455	16.7
150.02780	0.4
153.07097	0.2
155.08710	0.8
156.05853	0.2
165.01956	0.4
171.08180	0.4
179.08679	0.2
181.06554	0.1
181.10269	0.3
182.07393	0.2
183.08159	1.1
187.36072	0.1
195.08199	0.2
197.09645	0.3
207.08160	0.2
209.06068	0.4
210.06801	0.3
223.07674	0.2
225.09229	100.0
226.09563	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	224.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88174	0.4
60.74909	0.4
62.04595	0.4
69.16642	0.4
69.16916	1.4
69.17328	2.2
79.95733	3.1
80.96524	0.8
81.24323	0.4
85.02977	0.4
96.96018	100.0
124.03985	0.5
136.99159	3.7
142.05127	3.7
144.06674	35.5
145.06960	1.0
146.95177	0.7
224.02351	46.6
225.02669	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	225.0559
Annotation	Dithranol
Peak:m/z	Relative Intensity
55.01857	0.2
59.01112	0.2
59.01384	3.6
59.64977	0.2
61.39398	0.2
61.98803	0.2
65.00328	1.1
68.99828	2.6
69.03448	0.2
71.30419	0.2
81.03481	0.3
83.05011	0.2
91.01854	0.2
93.03463	1.2
97.02943	0.5
97.06608	0.4
98.28268	0.2
106.04278	0.4
107.05048	3.5
109.02940	0.5
109.06599	0.7
110.03745	0.2
121.02990	0.9
123.00858	0.4
125.02473	0.4
126.90520	0.4
129.07133	0.6
134.03764	0.8
135.04541	4.5
135.08093	0.2
136.98865	1.4
137.02467	0.9
138.02031	0.2
141.07137	0.5
149.02470	3.1
151.00359	0.2
151.04279	0.3
151.05553	6.8
152.06195	0.3
153.07118	3.3
154.07468	0.2
155.05008	0.5
163.11263	0.7
165.01904	0.3
167.05032	0.2
168.00613	0.2
169.06587	4.3
170.06989	0.2
179.05090	0.4
179.08836	0.2
179.10789	0.2
181.05070	0.2
181.06619	0.5
181.10245	0.8
181.12328	0.7
181.15903	0.2
195.02936	0.5
195.04535	4.2
196.05211	0.3
197.06096	100.0
198.06430	5.1
206.99380	0.7
207.10277	2.9
210.05344	0.7
223.04082	0.5
224.04797	3.3
224.90511	0.3
225.05603	81.3
225.09236	17.7
225.11377	4.8
226.05951	4.2
226.09793	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	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03437	2.7
59.01385	19.9
61.98822	1.4
65.00327	0.9
66.02181	0.9
67.01888	0.8
68.71365	0.7
69.03471	6.1
71.01396	3.8
71.05018	3.1
71.54910	1.0
73.02946	2.1
74.99084	0.8
83.05033	1.5
85.02960	1.4
85.06608	1.8
89.00347	0.9
93.03452	1.1
95.01368	0.9
95.05032	0.8
97.39323	0.7
101.02446	3.6
107.01406	1.3
107.05028	1.0
109.02953	0.8
109.06584	2.2
111.08155	0.9
118.71660	0.7
121.02982	2.7
121.06580	0.9
123.00874	1.2
125.09706	1.2
135.00870	0.8
135.04480	1.0
135.11806	1.1
137.02432	1.0
141.01819	1.0
141.09212	1.8
149.02475	2.3
149.09731	1.8
151.00369	1.8
151.04002	2.1
159.32875	0.8
161.09708	1.1
161.13382	1.6
163.03978	1.6
163.06151	1.2
164.04823	1.3
165.01932	3.0
166.06369	1.0
167.10803	9.2
176.98311	2.9
177.12898	1.1
178.99879	1.1
179.09320	0.7
179.10754	4.4
179.14433	11.3
193.01476	5.8
194.99327	1.2
195.02176	0.6
195.04431	1.3
195.13905	28.7
196.14215	1.4
205.12337	20.2
206.12679	1.5
208.00000	0.8
208.03757	9.2
222.98820	1.1
223.02689	4.3
223.05913	4.0
223.07878	2.4
223.13411	100.0
224.13765	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	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03444	2.5
59.01378	8.0
61.24603	1.0
64.90973	1.0
69.03482	8.2
69.17834	7.9
69.18244	2.2
71.05030	2.4
85.06591	1.7
93.03470	1.0
98.19933	2.3
99.35501	1.0
109.06705	1.1
111.08113	1.1
116.23785	1.0
116.79388	1.0
125.09755	1.3
141.09244	1.5
149.09695	1.8
151.66940	0.9
153.09151	1.2
161.13333	0.9
167.10806	10.5
177.12854	2.2
179.10808	3.4
179.14438	13.1
195.13910	32.1
196.14259	1.6
205.12343	23.0
206.12715	1.1
208.03714	1.4
210.60649	1.0
223.13416	100.0
224.13785	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	223.0765
Annotation	Pterocarpan
Peak:m/z	Relative Intensity
59.01384	2.4
67.01888	0.5
69.95238	1.0
69.95629	0.6
71.01392	0.8
73.02940	0.3
83.49316	0.3
85.02949	0.5
93.03468	0.4
96.96005	1.1
98.20627	0.6
98.38680	0.3
101.02438	0.7
120.24134	0.3
121.02955	0.6
137.02457	0.6
149.02419	0.8
151.03911	0.5
164.04779	0.5
165.01878	0.6
167.08658	0.7
169.54057	0.3
176.98219	0.7
180.05786	0.7
193.01488	2.6
193.06642	0.9
194.99434	0.6
195.04515	1.8
195.08159	26.4
196.08427	1.9
197.06050	0.4
208.03694	1.9
208.05322	7.8
209.05983	1.4
221.06015	2.0
222.06866	34.7
223.07648	100.0
223.13350	2.2
224.04762	0.7
224.08183	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	223.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80326	0.4
59.01384	6.6
61.98829	0.8
62.67296	0.4
63.02372	0.5
65.00302	0.4
71.01384	0.9
73.02950	1.0
73.04383	0.5
77.03968	2.3
79.01891	0.5
83.01396	0.5
85.02954	1.0
93.03487	2.6
95.01391	3.3
95.73383	0.4
96.96014	1.1
97.02979	0.4
101.02444	1.6
105.03473	6.0
107.01379	1.3
108.89067	0.4
109.02946	2.6
113.02428	0.6
115.92494	0.4
121.02974	13.2
123.00889	6.4
125.02444	1.4
134.96753	0.4
137.02451	13.2
137.03508	0.6
138.03218	2.1
149.02460	10.1
149.99585	0.9
151.00375	10.3
151.03992	1.3
163.11264	0.6
164.04823	1.7
165.01941	39.7
166.02299	1.4
166.06305	1.0
167.05052	1.4
176.98402	0.7
177.99104	2.8
180.04291	23.5
193.01431	84.1
194.01801	2.5
194.99475	0.6
195.04515	17.1
195.06615	8.4
195.08334	0.9
195.13884	0.9
196.04935	1.1
205.12317	0.9
208.03783	100.0
209.04121	3.7
218.57573	0.5
223.04007	36.5
223.06151	14.1
223.09805	0.9
223.13391	5.2
224.04634	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	223.0613
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.84951	1.2
57.03441	3.5
59.01381	4.0
60.97518	1.1
69.42136	5.2
69.42543	3.9
87.00879	22.8
91.05538	89.4
92.05875	2.0
93.03469	1.6
98.19963	2.6
117.06346	0.8
117.07119	22.9
121.02969	1.9
133.06609	43.9
135.04510	5.1
149.02440	5.3
151.04031	1.3
161.06091	62.8
162.06415	2.7
163.04021	100.0
164.04471	5.0
165.09213	1.2
179.07150	6.5
193.05078	1.4
201.13680	1.3
205.05048	2.3
223.06131	92.8
224.06483	4.1
225.11063	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	223.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	1.1
59.01388	14.4
61.98825	1.9
63.02380	0.8
69.03454	0.8
71.01393	2.3
71.54831	0.8
73.02966	2.0
77.03967	2.1
80.87663	0.7
85.02967	2.4
85.06683	0.7
91.04034	1.1
93.03461	2.9
95.01403	4.5
97.02960	0.9
99.00801	0.8
101.02443	2.2
103.44257	0.7
105.03470	6.7
107.01376	1.4
108.40321	0.7
109.02965	2.8
115.60017	0.7
120.99647	0.8
121.02972	12.4
123.00922	6.2
125.02448	1.4
137.02469	13.6
138.03206	2.4
141.01761	1.0
141.86810	0.8
149.01320	0.8
149.02460	11.6
149.70413	1.0
151.00394	9.1
151.04005	2.6
159.32277	0.8
163.06145	1.3
164.04788	3.6
165.01945	41.1
166.02342	1.1
166.06342	2.2
167.10789	0.9
176.83661	1.4
177.99055	2.6
178.99855	1.1
179.03456	0.9
179.10707	1.9
179.14435	1.6
180.04317	18.4
193.01433	81.9
194.01772	2.7
195.04903	1.2
195.06639	7.3
195.13950	5.1
205.12428	1.8
208.03781	100.0
209.04071	3.4
223.02805	4.2
223.06052	14.8
223.07845	1.7
223.09810	1.8
223.13397	18.5
223.16139	3.7
224.13736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.9
57.03204	1.5
57.03455	21.3
58.00584	3.1
59.01380	21.2
61.75961	1.1
63.53735	1.0
68.99812	3.2
71.01384	23.5
71.39497	1.8
72.99317	11.3
73.02951	11.0
75.00883	7.2
75.94661	1.0
80.96525	1.7
81.03457	1.8
83.01392	13.6
84.02162	2.7
85.02957	100.0
86.03300	1.4
87.00887	6.8
87.02744	2.6
88.01681	1.2
89.02417	2.4
91.03993	3.8
95.01367	1.9
96.96019	30.7
99.00903	5.2
101.02453	19.6
103.04027	1.7
107.04989	1.5
111.00889	43.5
112.98755	1.2
113.02431	3.1
117.03754	1.5
119.05025	5.8
119.15731	1.0
121.02991	2.1
125.02457	9.0
129.01952	34.9
131.03534	2.5
135.04767	4.1
136.99214	1.4
143.03500	1.8
143.04997	2.7
144.06682	9.2
147.03038	9.9
149.02420	3.4
151.03973	1.4
161.04526	4.9
161.06056	2.7
163.04016	2.1
164.04703	1.6
179.03467	1.7
179.07246	1.1
181.05116	0.9
181.06973	5.1
187.02484	3.2
193.01344	3.6
205.01656	2.2
205.03540	37.4
206.03783	1.2
208.03683	1.5
223.02896	1.6
223.04547	41.6
223.08156	6.7
224.02354	14.7
224.04594	1.9
242.23262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03450	4.3
59.01391	3.2
68.99819	0.6
69.85992	2.6
71.01378	4.4
72.99307	1.8
73.02941	1.0
75.00874	1.0
79.95748	2.5
80.35632	0.5
80.96500	0.6
83.01395	1.8
84.02184	1.0
85.02957	25.3
86.56145	0.5
87.00897	1.7
92.06934	0.5
92.63156	0.5
92.96000	4.4
96.96017	100.0
99.00884	2.1
101.02441	2.7
102.38596	0.5
102.98080	1.3
103.00340	0.6
106.83550	0.5
108.93741	3.6
110.92607	1.8
110.93427	0.6
111.00887	11.9
116.95984	0.9
118.97590	0.6
125.02440	0.7
129.01945	8.6
132.95525	4.7
132.99164	0.6
136.93239	0.6
136.99178	4.0
142.05103	3.9
144.06679	39.4
144.95506	11.6
147.02995	2.2
150.94859	1.2
156.95468	1.2
174.96573	5.7
187.02496	0.5
204.97604	3.7
205.03564	10.5
205.51183	0.6
208.03859	0.6
222.96858	0.6
222.98744	3.6
223.04599	10.8
224.02356	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.082
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
52.94914	0.6
59.01389	7.1
61.98814	0.5
65.03967	0.9
69.87769	2.6
71.01396	0.9
71.05029	0.5
79.05540	0.6
84.56115	0.5
85.02976	0.6
86.32874	0.5
90.91941	0.5
91.01914	1.6
107.05047	1.9
108.02145	0.6
109.02943	1.2
109.06592	5.0
117.68809	0.5
121.02976	6.6
122.02912	0.8
122.03766	12.7
126.53203	0.5
131.08606	0.5
133.03009	0.8
133.10271	0.8
134.03717	0.5
143.05043	2.1
144.05849	3.0
148.01714	0.6
157.05386	0.8
157.06615	10.4
158.06859	0.6
159.08179	24.7
160.05432	0.6
160.08467	1.2
163.08667	0.5
175.07663	2.0
177.05621	1.8
177.09224	7.3
185.06117	1.1
187.03928	0.5
201.05565	2.4
203.07156	100.0
204.07449	4.5
206.02295	0.7
220.18329	0.5
221.08209	98.3
221.11792	2.6
221.15477	1.7
222.08556	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	221.1549
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
51.51712	0.1
59.01397	0.7
61.98819	0.1
69.52475	0.5
69.52887	0.3
89.27457	0.1
98.19828	0.1
127.07672	0.8
148.05278	0.4
149.06026	0.5
151.07632	0.5
164.08429	2.4
165.09227	0.2
205.12355	1.6
206.12663	1.1
207.13921	1.2
220.14699	4.1
221.15471	100.0
222.15799	5.7
225.14934	0.1
235.13423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0821
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
50.22921	0.6
59.01383	17.5
61.98839	2.0
65.00320	0.8
65.03979	0.7
69.16915	5.5
69.17324	2.0
71.01402	1.7
72.38638	0.6
75.00856	0.8
79.05544	1.0
85.03025	0.7
86.96712	0.6
91.01908	1.7
93.03496	0.9
98.19865	1.4
101.02436	0.7
107.05030	2.1
108.02204	1.2
109.02995	1.5
109.06606	4.7
121.02958	7.3
122.03754	12.4
133.03020	0.7
133.10263	1.2
134.03693	1.1
143.05054	2.1
144.05827	1.9
149.02444	1.3
149.06114	1.4
157.06615	10.7
159.06847	1.1
159.08167	22.3
160.08620	1.0
162.83949	0.8
175.07654	1.6
177.05606	4.4
177.09190	7.9
178.98576	1.6
190.99870	2.1
201.05594	1.6
203.07153	80.8
204.07553	4.0
206.02170	2.0
220.99434	1.6
221.04602	2.4
221.08214	100.0
221.11807	2.6
221.15451	8.1
222.08540	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	221.0667
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
59.01387	100.0
68.99763	3.2
71.01392	57.5
71.55260	4.6
73.02953	61.9
75.00877	6.5
77.22743	3.1
78.31065	2.8
80.77656	2.9
83.01403	12.8
84.79433	3.0
85.02958	17.3
89.02427	10.4
95.01403	3.3
101.02455	33.1
113.02468	40.0
131.03499	7.8
139.02432	5.7
161.02454	4.1
177.05611	4.8
179.48730	3.4
190.99861	8.1
206.02229	7.7
221.04552	5.7
221.11908	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	219.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98828	3.6
65.03937	0.5
71.02780	0.9
79.05537	10.7
90.55962	0.5
93.03460	1.3
104.52119	0.4
105.07102	0.6
107.05039	52.5
108.05351	1.2
113.37086	0.4
115.05520	0.4
128.68951	0.5
129.07108	2.4
131.08685	3.7
133.06644	2.3
145.03001	0.9
146.03767	0.5
147.08162	0.5
148.01700	1.1
156.05835	0.7
157.06590	17.3
158.06993	0.4
159.04526	7.9
160.05328	4.3
173.06041	0.5
175.07654	52.3
176.07954	2.1
190.29852	0.5
197.91263	0.4
201.05586	37.5
202.05910	1.5
204.00653	0.4
204.04262	0.5
219.06628	100.0
219.17526	5.1
220.07011	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	221.0668
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
59.01383	100.0
65.02921	4.0
69.03455	4.8
71.01389	42.9
71.55533	5.8
73.02954	33.7
75.00885	8.5
79.70296	3.6
83.01400	9.3
85.02959	17.8
89.02446	6.6
89.31215	3.6
95.01356	4.6
101.02439	25.6
113.02459	40.4
130.09669	4.4
131.03566	7.0
161.09605	5.3
163.00327	4.0
175.24303	4.2
177.98930	3.7
190.99898	4.8
206.02222	6.6
206.09572	4.7
221.11955	19.8
221.15381	5.2
222.11359	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	219.0664
Annotation	2,6-Dioxo-6-phenylhexanoate
Peak:m/z	Relative Intensity
59.01371	0.3
61.98821	0.3
62.33570	0.2
69.18857	0.3
69.80656	0.5
69.81050	0.6
79.05536	6.7
83.94211	0.2
86.73100	0.3
93.03478	0.5
105.07157	0.3
107.05041	35.7
108.05360	1.1
110.73656	0.3
112.43124	0.3
115.05539	0.5
117.03511	0.3
129.07111	1.3
131.08672	2.9
133.06622	1.7
143.62259	0.3
145.02933	0.6
148.01668	0.4
156.05925	0.3
157.06604	19.9
158.06955	0.8
159.04520	6.4
160.05322	3.4
173.06082	0.3
175.07652	31.9
176.08008	1.3
201.05589	43.4
202.05934	2.1
204.04295	0.6
219.06631	100.0
219.17496	0.9
220.06923	4.5
220.92770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
61.98829	0.9
69.58112	2.1
69.58510	1.1
79.05535	7.8
83.46638	0.5
84.58092	0.6
87.69637	0.6
89.79225	0.5
90.80241	0.5
93.03421	0.6
105.07083	0.6
106.34678	0.5
107.05040	36.6
108.05399	1.1
110.20499	0.6
129.07068	1.4
131.08675	1.9
133.02948	0.6
133.06580	1.0
145.02869	0.5
157.06599	22.3
158.06973	0.9
159.04497	6.8
160.05344	3.5
175.07652	31.2
175.33348	0.6
176.07938	1.2
184.80321	0.6
201.05588	44.4
202.05922	2.3
219.06639	100.0
219.17522	1.9
220.06953	3.8
229.34680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1036
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.60825	0.4
59.01376	2.0
70.83594	1.0
70.83933	0.7
71.01389	11.2
71.05031	19.7
83.20647	0.5
88.04051	100.0
89.04404	1.2
99.04528	5.8
116.03535	0.9
116.07180	2.4
118.94510	0.4
129.05537	0.5
146.08253	44.3
147.08604	1.0
162.37575	0.5
218.10361	22.8
218.13777	0.9
219.10791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
60.01711	2.3
65.03964	4.7
70.83118	1.3
70.83448	1.5
71.01386	2.1
71.05016	2.8
81.03445	1.4
88.04056	14.9
103.43581	0.8
117.67533	0.9
126.09258	1.7
127.04031	4.0
146.08215	5.8
154.08746	6.6
157.32387	0.9
170.08223	1.3
186.11378	25.6
218.00755	1.0
218.10414	3.2
218.13994	100.0
219.14397	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	219.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54481	0.4
71.02338	0.6
74.34795	0.4
75.22127	0.5
79.05534	8.5
93.03464	1.0
102.21912	0.4
107.05039	39.7
107.09967	0.4
108.05386	1.3
115.05525	0.7
129.07111	1.8
130.43159	0.4
131.08646	3.6
133.06590	2.3
141.71138	0.4
145.02930	0.6
148.01637	0.5
156.05858	0.7
157.06601	12.7
158.06909	0.5
159.04526	7.5
160.05318	4.3
160.48775	0.5
175.07657	45.8
176.08038	1.9
197.87317	0.4
201.05588	30.2
202.05956	1.3
207.29243	0.4
210.46957	0.4
219.06630	100.0
220.06932	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	218.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
66.07883	0.5
70.83863	1.0
71.01389	12.8
71.05030	20.9
72.00916	0.9
75.20912	0.5
88.04051	100.0
89.04360	0.6
92.09631	0.5
95.13504	0.6
99.04533	5.6
116.07178	2.6
129.05605	0.6
146.08247	49.7
147.08592	1.2
151.53554	0.5
218.10358	24.6
218.13957	1.9
219.10707	1.2
231.19365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32593	0.4
59.01384	100.0
60.01727	0.7
62.02880	0.4
69.43982	3.2
71.01408	0.6
71.05035	0.7
72.02509	0.4
73.42477	0.4
75.42726	0.5
83.01390	0.7
88.04051	3.6
90.97161	1.6
97.02934	0.7
118.96619	1.1
126.09263	0.5
127.04040	0.6
132.98209	3.0
134.04739	0.8
146.08235	1.7
154.08757	0.6
170.08162	0.6
173.10097	0.8
174.99260	29.5
175.99504	0.7
176.54089	0.5
186.11389	3.6
194.90144	0.5
217.00313	26.1
217.07256	0.5
217.09103	1.0
218.00764	0.7
218.10500	1.1
218.13977	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	217.9765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56712	0.2
50.91895	0.2
66.04875	0.2
71.01406	0.2
105.82005	0.2
108.02180	6.7
109.02538	0.2
130.06647	0.5
138.01984	100.0
139.02338	2.4
144.04588	0.5
146.06160	0.3
174.05594	0.3
186.11450	0.3
217.97661	5.7
218.13992	1.0
219.17560	0.3
224.37021	0.2
236.66522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0671
Annotation	O-Succinyl-L-homoserine
Peak:m/z	Relative Intensity
57.03443	3.3
58.02959	1.3
59.01377	2.4
59.13558	1.0
59.62931	0.9
61.24251	1.1
64.74968	1.1
65.03977	2.6
69.03455	1.2
70.02988	56.4
70.36920	3.5
71.01019	1.4
71.01389	22.4
72.04537	1.9
73.02959	1.4
78.46371	1.2
81.03460	1.7
82.02994	3.6
83.01392	3.7
83.05010	2.3
84.04565	1.5
85.02955	3.2
86.06116	1.8
87.00885	1.1
87.04520	1.3
88.04052	17.8
93.45203	0.9
96.04552	3.2
96.99335	3.1
97.02896	1.1
98.02499	6.6
98.06116	5.3
99.00867	1.4
100.04049	1.9
101.02452	3.7
102.05622	100.0
103.04025	32.3
103.05945	1.6
105.03794	1.3
112.04061	2.2
114.05624	4.1
115.00385	33.3
117.02007	1.2
124.04031	1.2
126.05608	1.4
126.09236	1.4
127.04070	2.4
128.07184	1.8
129.01917	2.4
142.05130	1.4
146.08255	1.6
154.08751	5.2
156.06674	2.4
172.06120	3.5
174.07727	60.8
175.08205	1.7
186.11386	16.8
200.05634	8.1
200.09253	2.2
218.05090	1.5
218.06711	55.4
218.10318	6.0
218.13980	68.3
219.05048	2.4
219.06921	1.9
219.08813	1.8
219.14452	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	216.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.5
55.01880	1.0
57.03449	0.6
59.01385	100.0
60.01704	0.5
69.03469	5.0
69.45363	1.5
69.45771	2.0
71.01400	1.3
71.05029	18.5
72.00938	0.9
72.04552	0.9
72.99322	1.0
73.02950	4.2
74.02489	0.5
75.51792	0.4
81.03465	6.3
82.03004	0.9
83.01380	1.0
83.05031	11.3
85.02959	1.7
87.00893	1.8
87.48158	0.5
88.04048	0.7
90.40758	0.5
90.97178	0.5
93.03485	2.2
97.02959	15.2
98.02511	0.9
99.04551	0.7
100.04029	0.6
100.07730	1.0
109.02956	0.8
109.06604	2.3
110.06116	0.7
111.04534	7.4
111.05249	0.7
114.09306	0.5
115.04021	3.8
126.09230	0.6
128.07220	0.7
129.05597	1.5
132.98167	0.9
137.02490	0.8
137.20294	0.4
142.08749	0.8
144.03085	1.9
144.06674	0.9
154.12447	3.7
156.10336	2.7
172.09837	3.1
173.00876	0.6
174.99266	7.2
198.04158	1.0
198.07686	1.1
198.11342	6.0
214.69046	0.5
216.01401	1.0
216.05252	1.1
216.08884	5.6
216.12389	14.5
216.14374	0.8
217.00288	6.3
217.07278	0.6
217.12805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21471	0.4
59.01386	100.0
60.01726	0.7
90.97165	1.8
98.19942	1.0
118.96646	1.0
132.98209	2.9
141.75162	0.4
156.99890	0.4
166.08919	0.4
174.99272	26.1
217.00314	25.3
229.18311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
56.45024	0.4
57.03434	0.5
59.01384	100.0
60.01726	0.7
60.99316	0.4
69.03468	5.4
71.01379	0.8
71.05029	16.1
71.53655	0.7
72.00915	0.9
72.04560	1.2
72.99307	0.9
73.02953	4.1
81.03460	4.2
82.03018	0.6
83.01400	0.4
83.05030	10.1
84.04585	0.5
85.02967	0.9
87.00916	1.5
88.04075	0.7
90.97160	0.7
93.03484	1.5
97.02958	12.9
98.02520	1.0
100.04034	0.6
100.07730	0.6
109.06577	2.5
110.80372	0.4
111.04519	6.9
114.05623	1.2
115.04015	3.0
118.96687	0.8
118.97461	0.4
126.05668	0.7
127.04064	0.5
128.07191	0.8
129.05630	1.3
132.98241	1.0
137.02457	0.6
144.03099	1.1
144.06688	1.2
152.14194	0.4
154.05220	0.6
154.08815	0.7
154.12392	3.1
156.10336	2.6
156.80011	0.4
170.08267	0.6
172.09756	2.2
172.11903	0.5
172.13359	0.6
174.99261	10.0
198.11363	4.6
216.05269	1.0
216.08904	4.7
216.12398	12.7
216.14397	0.8
217.00294	8.2
217.07162	0.5
217.12576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.129
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03453	2.3
59.01404	0.8
68.63734	0.4
69.03468	0.7
71.05045	0.6
71.55289	0.8
73.02979	0.5
73.90973	0.5
82.95176	0.4
83.05062	0.8
85.02972	0.5
87.00880	8.9
87.01366	0.5
87.70451	0.5
97.02983	1.3
99.08100	0.5
125.09765	2.0
127.11288	0.6
144.00941	3.5
151.11354	1.2
153.12865	58.4
154.13214	2.4
162.62321	0.4
171.02034	0.7
171.13919	1.3
197.11847	65.9
198.12177	3.3
200.04784	2.1
215.00998	23.7
215.07205	4.8
215.12886	100.0
216.01256	1.3
216.13223	4.4
232.03696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0565
Annotation	cis-(Homo)3-aconitate
Peak:m/z	Relative Intensity
55.01880	11.7
57.03448	2.4
58.02951	2.8
59.01375	5.4
69.03456	6.3
70.81630	3.7
71.01377	4.1
71.05009	4.1
72.04564	2.3
73.02937	3.2
74.44096	1.6
80.02695	3.3
81.03452	6.6
83.04987	1.5
85.02959	1.7
87.00851	1.9
88.04035	4.5
92.39120	1.2
93.03461	1.9
95.05028	5.3
96.99311	1.8
97.02958	10.5
97.06601	100.0
98.06982	1.6
99.00871	5.9
99.08168	3.8
100.07687	2.1
107.05038	18.9
108.02186	4.1
109.02929	2.6
109.06602	39.9
111.04521	1.7
113.02372	1.4
115.04022	14.6
117.01973	1.8
123.04546	53.3
125.06096	57.8
125.07031	3.0
126.06490	2.6
127.00361	2.2
127.03988	1.9
127.07668	3.7
128.07149	4.4
135.04533	39.0
141.05602	23.3
143.07144	6.4
144.00975	7.3
144.03069	3.3
144.04454	2.3
144.36723	1.5
151.04022	7.8
153.05595	14.2
169.05084	21.3
171.06618	2.2
172.09839	1.7
173.07133	1.8
179.03423	2.2
187.02509	2.2
187.06114	22.9
197.04585	18.5
215.00964	58.1
215.05611	11.3
215.07594	2.6
215.16411	1.6
216.01280	3.1
216.08752	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	215.0563
Annotation	cis-(Homo)3-aconitate
Peak:m/z	Relative Intensity
55.01888	13.0
55.97960	1.8
56.73783	1.7
57.03444	4.6
58.02983	2.7
59.01389	49.8
69.03461	9.9
69.72861	9.1
69.73270	3.5
71.01387	17.3
71.05022	13.8
72.00924	7.5
72.04562	22.0
72.99319	5.3
73.02962	7.4
75.00883	2.0
79.95773	2.5
80.02695	2.7
80.38699	1.7
80.96534	4.2
81.03450	11.2
82.02991	9.2
83.01396	9.0
83.05048	7.3
85.02955	6.8
87.00886	18.9
88.04082	2.4
89.02449	11.4
93.03495	2.8
95.01405	2.3
95.05025	9.2
97.02972	16.7
97.06605	100.0
98.02487	17.5
98.03776	2.5
99.00900	5.8
99.04553	3.8
99.08157	4.1
100.04052	6.7
100.07697	2.1
101.02439	4.0
103.04819	2.2
107.05042	18.6
108.02178	3.9
109.02961	2.1
109.06606	50.6
110.06136	3.2
111.00906	3.7
111.04536	9.1
112.04038	1.9
114.05653	2.3
115.00385	5.5
115.04035	22.3
116.07212	5.6
117.01978	2.9
123.04543	48.9
125.02398	2.1
125.06099	58.8
126.09262	6.4
127.04050	2.6
127.07687	11.1
128.07199	12.5
129.10358	7.0
132.19908	1.7
135.04544	38.5
136.07799	2.0
138.05640	3.1
141.05603	21.9
142.08748	4.6
143.07159	7.6
143.11914	14.6
144.00954	5.0
144.03043	14.2
144.10315	2.9
151.04027	5.9
152.07164	2.2
153.05617	16.6
154.06067	2.9
154.08678	2.4
154.12442	2.7
161.00928	7.6
167.03508	2.4
169.05070	20.4
169.09854	8.2
170.08176	10.4
171.01173	2.3
171.06677	8.3
171.11386	8.5
172.09836	22.3
187.06134	16.5
197.04599	24.6
198.11433	2.9
214.96994	3.5
215.01030	42.8
215.03162	3.2
215.03569	2.3
215.05595	19.1
215.07509	4.9
215.10373	6.1
216.08807	22.0
216.12486	5.9
235.43668	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	213.1135
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03470	2.3
58.35623	0.5
59.01400	0.7
69.03474	1.9
69.17525	5.0
69.17934	1.2
80.02686	1.6
80.96579	0.5
81.03490	1.2
82.88015	0.5
83.05036	8.2
89.00346	1.3
95.05048	2.3
97.06606	8.1
98.19955	1.3
107.05054	0.8
108.66655	0.6
109.06582	1.2
111.08202	0.7
122.03738	1.6
123.08179	1.8
133.10262	6.1
139.11317	10.2
143.99742	0.5
149.09749	1.8
151.11301	100.0
152.11642	4.4
155.22438	0.5
155.48108	0.5
169.12352	4.6
176.98387	3.4
183.10287	2.1
183.13850	1.1
194.99281	3.7
195.10286	8.1
197.99274	0.7
200.82526	0.6
213.00377	1.1
213.09377	3.3
213.11325	67.2
213.14874	2.8
214.11694	2.2
219.29442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
51.70697	0.4
72.91151	0.4
75.40290	0.4
83.05027	0.4
89.76698	0.3
91.91955	0.4
93.03464	1.8
93.84902	0.5
98.19868	1.0
157.34962	0.4
162.03090	0.4
165.12791	0.5
169.06589	0.5
177.12975	0.5
180.00182	0.4
180.25664	0.4
183.13914	26.5
184.14270	1.2
195.13918	22.5
196.14235	1.2
197.99226	0.5
211.13350	0.9
213.14975	100.0
214.15331	4.1
214.17218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12467	0.6
56.97985	2.7
56.98246	0.7
58.02941	1.7
59.01330	2.9
69.03437	1.5
69.30226	3.4
69.30643	2.5
71.01344	1.0
71.04993	1.0
72.00886	1.1
73.37693	0.7
74.02448	0.8
74.34881	0.8
80.44118	0.7
82.99617	83.3
83.04990	2.1
83.99921	1.7
85.02935	1.1
86.02459	2.4
86.06093	0.8
87.33504	0.6
87.99889	37.8
88.04017	1.8
92.05046	1.6
93.03430	1.9
97.01183	1.6
97.02934	3.0
98.20677	1.2
100.07676	2.4
101.02440	0.8
101.06084	1.4
108.04559	1.3
109.03005	0.9
109.06577	1.5
111.99868	2.2
115.00304	0.9
116.05076	2.9
116.07159	1.1
121.06606	1.2
125.09714	1.0
126.98611	25.7
127.02248	100.0
127.07656	1.6
128.02589	2.1
135.04553	0.8
136.04118	0.9
143.11935	2.6
144.00925	7.0
144.04640	0.8
153.09267	1.3
159.03336	2.7
160.04103	2.1
161.04840	0.9
171.01219	38.4
171.09288	1.7
171.11513	0.9
172.01654	1.6
184.99284	1.0
188.03578	4.1
197.08276	0.9
200.01611	2.1
206.44830	0.7
215.01016	42.7
215.09361	3.3
215.12968	1.7
216.01286	1.7
236.00038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0923
Annotation	Tetradehydrochromoarnottione
Peak:m/z	Relative Intensity
64.02031	0.3
65.03986	0.5
66.52297	0.3
70.72175	0.9
76.57506	0.3
81.03458	3.9
92.72215	0.3
93.03490	0.5
95.57189	0.4
98.19948	0.3
108.02178	2.7
109.02962	0.4
118.78880	0.3
122.03750	33.5
123.00868	1.0
123.04066	1.1
125.02461	2.4
129.07077	0.4
137.02487	2.2
153.01947	0.6
154.02686	0.8
156.05820	1.3
169.06569	1.2
169.09219	0.3
169.10281	3.6
170.10602	0.4
171.06693	0.7
171.08162	12.6
172.08458	0.4
177.94916	0.3
213.09227	100.0
214.09552	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	213.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
67.01902	0.2
68.99802	0.2
69.57390	1.2
74.56253	0.2
80.02666	0.4
81.03464	3.8
83.01360	0.3
91.05525	0.4
92.48983	0.2
93.03468	0.7
93.06353	0.2
95.01397	0.4
98.20632	0.3
108.02174	3.0
109.02960	0.6
122.03748	33.5
123.00883	1.0
123.04088	0.7
124.01650	0.3
125.02457	3.2
129.07100	0.2
129.24736	0.2
130.16373	0.2
136.01659	0.5
137.02461	3.6
141.07065	0.3
143.08641	0.2
151.11276	1.1
153.01945	1.1
154.02727	0.8
156.05824	1.4
169.06612	1.2
169.10226	3.3
171.08168	12.0
172.08501	0.3
176.98311	0.3
185.09680	0.2
186.02740	0.2
194.99313	0.5
195.13832	0.2
213.09219	100.0
214.09538	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	213.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	0.5
67.01904	0.3
69.53688	1.7
80.02682	0.3
81.03460	3.6
81.90762	0.2
91.05531	0.4
93.03465	1.3
93.67445	0.2
95.01404	0.5
97.51764	0.2
99.69737	0.2
108.02187	2.8
109.02965	0.6
122.03750	33.6
123.00880	0.8
123.04067	0.9
124.01678	0.3
125.02458	2.4
131.80841	0.2
136.01697	0.4
137.02466	3.1
138.02838	0.2
141.07086	0.2
143.69992	0.2
153.01915	1.0
154.02684	0.7
156.05817	1.0
169.06668	1.1
169.10242	3.7
169.12358	2.8
171.08165	13.3
172.08528	0.5
198.06778	0.5
211.03693	0.2
211.07744	0.3
213.09227	100.0
214.09564	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	213.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49080	0.1
59.86863	0.1
65.03968	0.2
67.01881	0.2
69.43507	1.0
80.02677	0.3
81.03465	3.9
82.03789	0.2
83.01410	0.2
84.02182	0.2
91.05546	0.4
93.03459	0.6
95.01391	0.4
108.02191	2.7
109.02968	0.4
112.27110	0.1
117.86060	0.1
122.03751	36.0
123.00890	1.1
123.04068	0.8
125.02452	2.8
129.07170	0.2
136.01649	0.5
137.02463	3.1
141.07147	0.2
143.08708	0.2
153.01979	0.9
154.02724	0.6
156.05820	1.1
169.06601	1.1
169.10243	3.4
171.08174	13.4
172.08519	0.7
185.09834	0.2
213.09229	100.0
214.09573	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	213.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33683	0.6
53.40911	0.5
55.20308	0.6
63.41452	0.5
64.87561	0.6
66.05577	0.6
66.34286	0.5
69.30117	4.0
69.30534	1.6
81.03454	3.7
81.46625	0.6
93.03471	0.7
108.02192	3.0
109.02955	0.6
122.03746	34.7
123.00878	0.8
123.04087	0.8
125.02463	2.4
132.65326	0.6
137.02464	2.6
150.87498	0.7
151.27898	0.6
154.02736	0.9
156.05847	1.3
169.06683	1.2
169.10262	4.4
171.08170	12.8
172.05319	0.6
172.08542	0.8
213.09225	100.0
214.09558	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	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.10579	0.3
59.01371	1.0
63.71053	0.3
69.03458	0.7
70.92345	0.9
83.05021	0.7
87.03413	0.3
87.56081	0.3
95.01395	0.6
121.02943	0.4
123.03358	0.4
124.04020	0.5
125.04356	0.5
137.02470	0.4
142.01585	0.3
148.01660	0.4
149.09886	0.3
153.05536	0.3
155.10791	0.4
164.98332	0.4
165.12875	0.8
166.91034	0.5
167.06076	0.5
167.10757	1.8
167.14372	2.0
181.01514	0.4
181.05099	0.4
183.13913	14.3
184.14294	0.7
192.97778	0.5
193.12372	4.3
196.03825	0.8
211.04036	0.7
211.13402	100.0
212.13754	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03453	0.2
58.00607	0.2
59.01371	0.3
67.01894	2.4
69.03465	0.4
69.50562	0.1
70.88773	0.2
71.54810	0.2
72.94450	0.2
83.05028	1.0
85.06599	0.6
95.01399	0.6
95.05075	0.2
97.06596	0.4
109.02945	0.2
117.77331	0.2
121.03012	0.2
123.00927	0.2
123.04556	0.2
123.08179	0.5
124.04050	0.2
125.09732	5.2
137.02432	0.3
137.09781	0.2
139.00365	0.2
139.11255	0.2
151.11327	0.4
152.01279	0.2
153.05582	0.4
167.03569	0.2
167.06192	0.3
167.14424	4.4
168.14696	0.3
181.01416	0.3
181.05078	0.3
183.13899	1.0
192.97890	0.2
193.12325	0.5
196.03767	0.4
211.04298	0.9
211.13405	100.0
212.13756	3.8
234.47380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
58.10138	0.7
59.01376	1.5
69.70184	3.1
83.05022	0.9
95.01417	1.1
97.02988	0.6
98.20696	1.0
107.01545	0.5
111.00877	0.6
111.08167	0.5
113.92493	0.5
115.31549	0.5
121.02994	0.6
121.76308	0.6
123.00887	0.6
123.04517	0.7
137.02386	0.6
139.11293	0.6
151.11386	0.7
155.10817	0.6
163.04059	0.7
164.98236	0.6
165.12891	0.7
166.91046	0.9
167.08678	1.2
167.10776	1.7
167.14415	3.2
169.06599	3.8
181.01384	0.7
181.05081	0.6
183.13918	15.0
192.97836	0.8
193.12360	3.4
193.39259	0.5
196.03787	0.9
211.06042	1.0
211.07741	16.3
211.13405	100.0
212.07974	0.8
212.13774	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	211.0978
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
59.01385	100.0
60.01733	1.2
65.42670	0.8
71.05019	0.7
71.59917	0.6
72.99275	0.8
80.05068	0.8
83.05051	0.7
92.05080	2.1
94.06703	0.9
96.96049	0.9
105.09554	0.7
106.06644	1.4
109.06602	1.6
111.04529	2.0
120.04556	1.0
121.02965	2.0
121.06586	0.8
122.06120	4.6
123.00884	1.7
123.04537	1.7
123.08179	1.0
124.07716	1.2
125.02512	1.2
134.07373	3.4
136.05322	3.2
138.03256	1.6
138.05637	2.9
149.09734	24.8
150.05679	3.6
150.10130	1.3
151.03979	1.1
151.07663	5.6
152.08440	24.3
153.01933	0.8
153.05618	1.9
167.03448	0.8
167.05391	0.8
167.10793	47.9
168.06656	3.5
168.11168	1.6
169.63341	0.8
181.01482	1.0
181.05176	6.5
186.33846	0.7
196.03763	2.1
196.07567	3.4
211.04277	1.1
211.06226	1.9
211.09773	36.3
211.13361	3.0
212.05666	3.0
212.10249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0978
Annotation	Striatisporolide A
Peak:m/z	Relative Intensity
59.01385	100.0
60.01719	1.1
63.14272	0.8
65.00330	1.0
69.51741	3.6
70.78646	0.8
74.52299	0.7
81.92841	0.7
93.03463	0.6
93.56673	0.6
95.01377	0.8
95.05051	2.8
97.02994	1.1
109.02957	0.9
109.06625	1.6
111.04539	17.0
113.06110	1.8
121.06675	0.9
122.03767	1.3
123.04554	2.4
123.08183	4.9
124.05328	8.0
125.06081	1.0
137.02496	1.4
137.06090	1.8
139.07663	38.2
140.08026	1.4
149.09778	3.3
151.07678	1.0
152.08461	5.6
153.05620	1.0
166.06374	1.7
167.10745	4.3
175.04689	0.7
181.08675	5.7
211.04202	1.1
211.07765	2.9
211.09683	9.6
211.13417	2.0
212.10173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53001	0.9
59.01385	100.0
60.01716	0.9
69.86438	2.9
72.99317	2.1
80.05058	1.3
83.01389	1.0
84.69589	1.1
92.05075	3.0
94.02969	1.0
95.01425	1.5
96.96003	2.6
97.06600	0.8
103.44568	0.8
106.06631	2.3
109.01672	1.2
109.02969	1.0
109.06609	2.5
111.04512	3.0
120.04564	2.0
121.02960	2.5
122.06107	5.4
123.00857	3.0
123.03493	1.4
123.04541	6.1
123.08147	1.3
124.07700	1.3
126.81316	1.0
129.74165	0.9
134.07385	1.7
136.04192	0.8
136.05301	4.2
136.07719	1.1
137.02440	1.2
137.09750	1.6
138.03281	0.9
138.05615	3.9
138.06825	2.3
138.09267	1.5
139.07591	0.9
148.01717	1.4
149.02502	1.9
149.08539	1.6
149.09727	26.3
150.05634	4.5
150.06776	1.0
150.10132	1.3
151.03979	1.5
151.07663	7.1
152.01196	0.9
152.08438	27.2
153.05602	1.3
153.09203	3.9
163.04135	1.0
164.98299	1.3
167.03493	2.7
167.05212	0.9
167.07199	1.1
167.10793	46.6
168.06612	4.7
168.10168	1.0
171.45549	1.0
181.01390	1.8
181.05190	5.3
183.13753	1.2
193.01402	2.6
193.04999	1.1
193.08791	1.4
193.12369	1.2
194.08243	1.1
196.03752	2.6
196.07494	2.0
211.02446	5.2
211.06407	2.0
211.07872	2.1
211.09760	39.5
211.13107	6.7
212.05679	5.4
212.09422	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	211.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21015	0.5
57.59285	0.6
59.01384	1.0
59.04799	0.5
69.29049	4.8
81.03452	0.9
83.05016	0.6
95.01387	1.1
97.02963	1.8
97.06581	0.9
107.05030	0.7
109.06613	0.9
111.04558	1.3
121.02956	1.2
123.00923	1.5
124.01687	2.2
125.02459	15.2
125.06099	2.0
135.04536	25.1
136.04921	0.9
139.04027	1.1
149.06152	0.8
152.01164	5.3
153.05582	2.6
163.04024	100.0
164.04347	2.5
167.06067	0.7
167.10735	1.0
177.05659	0.5
178.06364	86.1
179.05345	0.6
179.06635	3.6
180.53220	0.6
181.01578	3.6
181.05077	47.9
182.05396	1.0
185.79855	0.6
193.08711	38.7
194.09029	1.4
196.03751	2.0
196.07416	52.0
197.07726	1.8
202.41362	0.6
211.06161	1.1
211.07938	1.3
211.09769	30.5
211.13303	1.7
212.10123	0.9
213.38269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92018	0.3
64.37106	0.3
65.00334	0.4
65.03967	1.5
71.05011	0.3
71.55318	0.4
90.05411	0.3
93.87241	0.2
95.01392	0.8
99.08167	1.2
101.03997	0.4
121.02892	0.3
123.00920	0.8
137.02477	0.3
141.07109	0.7
148.01669	0.4
152.06334	0.9
163.04112	0.3
164.98228	0.5
165.07162	1.6
167.04980	0.4
167.08676	8.1
167.10786	0.5
168.08971	0.5
169.06599	20.3
170.06891	0.8
181.01434	0.3
181.05081	0.3
183.13927	0.3
192.97737	0.4
193.01485	0.3
193.08611	0.3
193.12442	0.4
196.03819	0.5
209.06100	0.9
210.06715	0.3
211.07660	100.0
211.13249	5.2
212.07997	5.4
225.97226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0614
Annotation	Danielone
Peak:m/z	Relative Intensity
50.59403	0.9
59.01376	1.4
69.03433	0.8
70.28819	2.9
71.31248	0.9
81.03489	1.1
95.01395	5.5
96.96020	2.8
104.05071	1.2
105.05398	3.5
107.05049	2.2
108.02189	13.9
109.02958	17.4
120.02179	12.1
121.02895	1.5
123.00870	2.4
123.04548	11.0
134.03735	1.8
135.04529	2.5
136.00734	0.8
136.01669	5.5
136.04047	1.3
137.02435	5.1
138.03218	3.7
148.01680	94.3
149.02148	3.4
149.04370	7.9
152.01175	8.9
153.05591	91.9
154.05916	2.3
163.04021	97.0
164.04370	4.1
165.01949	3.1
166.02705	8.9
167.03456	2.8
167.05511	8.2
167.06920	1.5
169.05048	1.5
179.03481	3.1
181.05081	100.0
182.05374	2.9
192.97679	1.0
196.03766	9.9
211.02493	4.1
211.04491	1.7
211.06119	27.8
211.10109	1.2
211.13396	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	211.025
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
57.03465	0.4
58.67967	0.4
59.01382	1.0
65.00337	0.5
69.03469	0.4
69.41108	2.3
72.59494	0.3
72.99312	0.7
79.01913	0.4
80.02691	1.9
85.02965	0.4
93.03468	0.4
95.01385	1.8
95.05083	0.5
96.96027	5.1
97.90976	0.5
108.02186	62.1
109.02522	1.4
110.74247	0.3
111.00888	0.5
121.03026	0.6
121.06631	0.6
121.60169	0.3
123.00919	1.7
123.04539	16.0
123.08229	0.7
124.01717	0.5
125.02424	0.5
134.03783	1.3
135.00946	0.5
135.04581	0.5
136.01680	1.0
137.02443	1.1
148.01709	1.1
149.02530	0.5
149.04391	0.5
149.06137	0.7
149.09686	0.4
150.03252	0.6
151.00426	0.4
151.04024	1.3
152.01167	100.0
153.01503	2.6
153.05624	1.3
156.82431	0.3
163.00444	0.5
163.04033	0.9
166.02754	0.6
166.99869	0.7
167.03513	14.3
167.05264	0.7
167.07153	0.5
168.03951	0.4
178.02748	0.7
181.01424	1.8
181.05075	2.6
183.13803	0.3
193.01363	0.4
193.05104	0.9
193.08699	0.4
193.12210	0.4
196.00130	7.8
196.03766	2.2
196.07440	1.0
211.02496	48.6
211.06256	4.8
211.09731	0.9
211.13388	2.9
212.02884	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	210.0409
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
54.20213	0.4
59.01390	0.4
64.01933	0.6
71.54158	0.6
77.03992	0.7
79.05549	0.4
80.05122	0.4
80.82703	0.4
92.05075	0.8
94.03003	0.9
94.06638	0.5
95.01407	0.5
96.96036	0.7
102.03483	0.5
103.04307	2.7
104.05077	40.9
105.05409	1.0
107.05030	0.5
108.02197	2.7
108.04569	0.6
109.02972	3.0
120.02164	1.9
120.04557	6.6
120.05374	0.6
120.57806	0.4
122.06129	2.2
123.00875	0.7
123.04530	2.6
124.01672	0.7
124.04070	2.1
134.03761	0.5
136.01707	0.9
137.02429	0.5
138.05573	0.4
144.53500	0.4
148.01675	14.1
148.04063	60.5
149.02443	0.5
149.04387	2.2
151.04004	0.8
152.01183	2.1
153.05595	15.2
157.45900	0.4
163.04028	14.1
165.01945	0.8
166.05103	100.0
167.03470	0.7
167.05464	3.1
167.10793	0.5
179.03384	0.5
180.03787	0.6
181.05078	15.4
196.03792	1.9
210.04080	12.1
211.02641	0.8
211.04460	0.6
211.06108	5.1
211.13391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
58.23745	0.5
59.01398	0.7
64.94215	0.4
70.91938	0.9
70.92302	0.5
92.99815	0.7
94.02980	0.5
96.47507	0.4
121.02972	15.8
124.04082	1.0
153.09398	0.5
165.12895	0.7
194.05801	0.6
209.04547	1.9
209.11850	100.0
210.12213	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	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.11737	0.9
57.03454	6.7
59.01382	4.8
61.98828	5.6
65.00333	1.2
69.03460	2.7
69.62185	4.2
71.01386	18.9
71.05034	1.8
73.02953	1.9
75.41727	0.8
78.65599	1.0
80.02683	2.2
81.03471	2.7
83.01402	2.6
83.05037	6.0
84.02168	1.8
85.02940	2.0
88.19598	0.8
91.01901	2.5
92.99850	4.2
93.03465	3.8
94.02980	1.7
95.01401	1.3
95.05041	4.4
96.96014	2.2
97.06591	4.3
98.19913	1.9
107.05075	1.3
109.02982	1.5
109.06628	1.5
111.08170	3.3
112.01653	0.9
118.94189	1.2
120.02177	1.7
121.02971	98.0
122.03323	3.1
123.08144	1.4
124.04073	4.5
125.09739	8.5
135.08208	1.8
136.01637	1.7
136.98825	2.2
137.02444	1.2
137.06137	1.0
137.09720	2.0
145.10240	1.5
147.11792	3.1
149.09689	1.2
151.11301	28.8
152.11726	1.2
153.12877	3.1
161.02504	1.1
161.09662	1.1
163.11320	8.8
163.66286	0.8
164.94150	1.1
164.98311	2.4
165.12865	24.8
166.94218	1.2
167.10811	1.4
167.49741	0.8
173.09708	2.5
179.03548	2.4
179.10863	6.8
181.05101	1.1
181.12363	31.5
182.12726	1.7
191.10793	16.8
192.11093	1.0
194.02145	1.3
194.05840	2.1
209.00844	1.1
209.04642	10.5
209.11856	100.0
210.12193	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	209.1185
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
57.03460	3.9
59.01385	100.0
60.01734	0.9
81.03485	2.1
83.05022	0.9
85.02921	0.8
93.03510	0.8
96.96034	0.9
97.06597	3.2
109.06628	3.0
120.02215	1.0
121.02962	20.6
122.03261	1.0
124.04101	0.9
137.02533	0.8
140.93108	0.8
146.98097	0.9
151.03969	0.9
161.02458	0.8
163.11423	0.7
165.12888	4.8
179.03494	2.5
181.59923	0.7
194.02217	1.3
194.05815	1.9
209.04549	3.5
209.06357	1.6
209.08589	1.7
209.11838	26.2
210.12178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
53.26495	0.6
55.01875	3.4
57.03462	2.7
59.01385	1.2
69.03455	1.2
69.65282	1.4
69.65707	2.3
71.01400	1.4
71.05018	0.8
80.02674	1.4
81.03469	4.5
82.60304	0.6
83.01393	27.2
83.05029	4.4
84.01727	0.7
84.02178	1.3
85.02960	0.6
92.99839	2.6
93.03486	1.4
94.02985	1.3
95.05015	1.3
97.02939	0.6
97.06627	4.7
109.06678	0.6
111.08195	1.1
121.02969	32.2
123.08181	2.7
124.04060	2.7
125.08820	1.3
125.09740	26.3
126.10094	1.1
135.08200	2.8
136.98811	1.0
137.02443	0.8
147.11819	1.3
161.02507	0.7
162.41953	0.6
163.11311	11.9
164.98286	1.6
165.12891	3.8
173.09732	0.7
179.03560	1.5
181.12320	1.1
190.14696	0.6
191.10791	8.6
194.02234	0.8
194.05910	1.3
195.04463	1.4
197.60417	0.5
208.05322	1.0
209.01044	0.9
209.04408	4.2
209.06474	4.1
209.11844	100.0
210.06830	5.1
210.12178	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	209.1185
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
57.03442	0.4
59.01385	0.4
61.99233	0.3
69.18596	3.0
73.31969	0.3
75.94787	0.3
80.02698	2.9
81.03462	2.8
83.05038	9.3
85.02964	0.8
93.03457	0.7
95.05043	1.2
97.06610	0.6
98.19921	0.6
100.19421	0.3
109.06571	0.7
120.02165	0.3
121.02964	6.9
124.04047	0.5
125.06095	0.9
125.09763	0.4
129.01927	0.5
130.35779	0.3
135.08179	1.2
137.64786	0.3
140.19540	0.3
163.11308	7.2
165.09142	0.4
165.11601	0.4
165.12863	4.4
166.13200	0.4
179.03510	0.7
181.12433	1.3
191.10770	1.7
208.49214	0.3
209.04526	1.1
209.11842	100.0
210.12178	4.8
222.62166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03450	3.6
59.01384	12.7
69.03463	29.9
69.63826	7.2
71.05022	3.3
83.05022	4.5
93.03472	2.6
95.05024	2.3
96.96011	1.4
97.06593	1.5
100.73242	1.0
108.05825	2.8
109.06561	1.4
111.08166	6.0
120.02188	1.2
121.02971	21.4
121.10229	2.0
127.07685	2.3
129.93462	1.3
133.87830	1.0
135.08205	3.4
147.11775	1.7
153.09250	8.4
163.11288	4.9
164.11430	1.2
165.09200	2.8
165.12848	24.1
166.13210	1.9
181.12370	25.6
186.71019	1.1
191.10773	28.1
192.11096	1.5
209.04527	2.2
209.11835	100.0
210.12154	4.5
218.06177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01401	0.9
65.00359	0.6
69.25096	3.6
71.01373	0.6
72.54276	0.4
73.02957	0.6
75.00874	0.4
77.03979	0.5
81.03467	0.9
85.02944	2.5
87.00880	1.1
91.01907	0.5
91.05550	2.1
93.03458	4.1
94.03008	0.5
94.03812	1.1
95.01398	0.7
95.05039	3.3
105.02808	0.8
105.03471	10.5
107.05040	1.1
108.02124	0.5
109.02972	1.3
117.03500	0.5
119.03370	0.9
120.02194	1.4
121.02967	49.7
121.06599	2.0
122.03296	0.7
123.04578	2.1
124.04076	0.6
129.01930	1.1
133.02965	6.1
135.04553	3.5
136.04057	2.5
137.02499	0.8
137.04413	3.8
137.06116	0.5
146.03752	0.5
147.04510	1.2
148.05261	0.5
149.02432	0.7
150.03210	1.7
151.04018	32.0
152.04369	1.0
161.02458	72.0
162.02832	2.5
163.04018	1.1
165.05605	1.0
165.07501	0.6
165.09175	0.6
175.03990	1.1
176.04796	42.1
177.05176	1.9
179.03510	100.0
180.03859	4.2
181.05046	0.5
191.01791	0.5
191.07159	11.9
191.08900	0.6
193.05051	0.7
194.05853	62.6
195.06168	2.4
209.02792	1.5
209.04584	5.5
209.06653	1.4
209.08220	17.1
209.11642	3.1
210.08498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.8
59.01376	1.2
62.86500	0.5
65.00330	0.6
69.26781	3.1
69.27202	1.1
71.01450	0.5
75.00857	0.6
77.03992	1.0
78.65569	0.5
80.69577	0.5
85.02932	2.5
91.01915	1.4
93.03461	2.8
95.01392	0.7
95.05029	2.6
101.08923	0.5
105.03470	10.9
106.03722	0.6
107.05051	0.8
109.01723	0.9
111.00875	0.6
120.02205	2.3
121.02969	77.7
122.03214	2.5
123.04558	1.2
129.01962	1.8
133.02965	5.5
136.01677	1.0
146.61343	0.4
147.04523	0.8
150.03230	1.0
151.04021	27.5
152.04369	1.3
152.71684	0.5
161.02457	65.7
162.02821	1.9
165.05525	0.8
166.05118	1.9
175.04109	0.5
176.04808	30.3
177.05222	1.6
179.03514	100.0
180.03886	3.5
181.05205	0.5
191.07146	10.6
193.05098	0.7
194.05855	78.7
195.06149	3.6
201.44325	0.5
209.04797	7.3
209.06714	1.8
209.08240	21.3
209.11632	1.0
210.04451	0.6
210.08604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.9
59.01382	1.0
62.98050	0.5
65.34095	0.4
65.66745	0.4
67.01902	0.5
69.86076	1.6
71.01381	1.2
75.00883	0.8
75.14129	0.5
77.03992	1.0
81.03463	0.8
82.50870	0.4
84.02153	0.6
85.02950	3.6
87.00891	0.8
91.01922	1.1
91.05558	2.4
93.03462	3.9
94.03036	0.5
94.03815	1.1
95.05034	3.2
97.03042	0.5
105.03470	9.9
107.05033	1.0
109.02969	0.8
117.03533	0.8
118.03030	0.6
119.03362	0.8
120.02193	1.8
121.02968	54.8
121.06600	10.9
121.07426	0.7
122.03266	1.1
122.06136	0.7
123.04530	2.2
124.01688	0.5
124.04057	1.0
129.01967	1.4
133.02963	5.7
135.04567	2.1
136.01697	0.8
136.04082	2.4
137.02550	0.9
137.04430	5.6
147.04572	2.6
149.02458	0.8
150.03226	1.8
151.04021	33.6
152.04369	1.4
161.02461	76.2
161.81133	0.5
162.02873	1.9
163.04076	1.3
165.01952	1.0
165.05544	1.2
165.07587	0.7
166.05101	0.4
167.08025	0.9
169.83592	0.5
175.04070	0.7
176.04808	47.2
177.05228	1.8
179.03519	100.0
180.03818	3.5
191.07156	12.8
193.05008	1.0
194.05865	69.6
195.06261	2.4
208.99239	0.5
209.02776	1.2
209.04578	7.6
209.06581	2.3
209.08217	20.7
209.11615	3.1
210.08556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84449	0.6
51.78176	0.6
52.23011	0.7
57.03443	1.2
58.74894	0.6
59.01386	5.8
64.96035	0.6
65.00304	1.2
71.01381	0.9
71.05025	0.6
71.54993	1.0
77.03983	0.8
80.75229	0.6
81.03435	1.0
83.05026	0.8
85.02950	1.4
87.00890	0.7
92.99829	2.8
93.03461	3.6
94.02982	1.7
95.01376	1.1
95.05037	3.2
101.77183	0.7
105.03473	8.2
107.05045	0.9
117.03436	0.7
121.02971	58.5
122.03212	1.1
123.04516	1.4
124.04054	4.8
129.01917	1.5
133.02953	5.5
136.01674	0.8
136.98810	1.0
137.02467	1.6
147.04556	1.0
149.02464	0.6
149.04582	0.6
150.03218	1.7
151.04021	28.2
152.04288	1.0
161.02458	60.9
162.02826	1.7
163.11264	1.6
164.98323	1.8
165.01901	0.7
165.05568	1.4
165.12840	2.1
175.04031	0.6
176.04800	32.0
177.05157	1.8
179.03516	100.0
180.03883	2.9
191.07153	10.5
194.02287	3.0
194.05861	82.8
195.06128	3.1
208.93350	2.0
209.00934	1.1
209.04643	8.5
209.06491	1.8
209.08224	23.4
209.11821	16.0
209.15230	1.1
210.08519	0.7
210.12137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0668
Annotation	beta-D-Sedoheptulopyranose
Peak:m/z	Relative Intensity
55.01881	5.0
57.03456	35.3
58.00606	1.8
59.01112	2.0
59.01385	30.5
68.99826	2.0
69.03458	1.5
70.27692	4.5
70.28031	1.5
71.01393	13.0
72.99317	2.4
73.02943	3.9
75.00906	1.6
83.01388	7.1
84.02169	9.3
85.02957	95.5
87.00885	31.7
87.04491	2.1
89.02454	7.7
97.02948	2.3
98.19926	1.7
99.00896	5.1
101.02451	3.9
104.05049	2.8
111.00889	9.9
129.01953	53.5
131.58536	1.5
141.01933	3.9
142.99876	6.9
148.04095	3.3
159.02991	12.2
166.05096	4.4
209.06670	100.0
210.06964	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03569	0.2
57.50915	0.2
60.04195	0.2
68.00720	0.2
69.44341	1.1
69.44740	0.4
79.03543	0.3
83.05032	0.4
98.19903	0.3
121.02970	2.3
122.93652	0.2
141.07126	2.3
152.25575	0.2
160.71671	0.2
163.11301	0.3
165.07108	45.6
166.07457	2.3
167.05037	14.0
168.05414	0.6
174.92653	0.2
179.03561	0.3
208.05357	0.2
209.06090	100.0
209.11649	4.3
210.06422	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	205.1235
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
57.03455	20.4
57.65486	0.5
58.02988	0.7
59.01370	2.9
69.03467	1.9
71.01378	1.2
71.55438	1.1
72.99306	0.8
73.52291	0.7
79.05547	1.3
83.01399	1.0
83.05042	1.7
85.02979	1.2
85.06590	5.4
87.00889	1.2
91.05563	0.7
91.06137	0.6
92.05046	0.9
93.03461	1.4
93.07095	0.7
93.23026	0.7
95.05029	1.3
97.06586	0.9
106.04251	1.3
107.05041	40.0
108.05380	1.1
109.02949	1.1
109.06621	2.2
115.00375	1.8
117.04561	0.7
119.05053	3.3
120.05801	1.0
121.06582	3.4
121.10228	0.7
123.04539	1.4
123.08176	2.3
125.02456	0.9
126.09252	1.4
127.09605	3.9
133.02962	1.1
133.06563	1.0
134.03693	0.9
135.08174	6.2
137.06097	2.0
137.09763	0.9
145.04039	1.0
145.10213	1.4
147.04494	2.0
147.08189	6.9
148.08932	1.2
149.06090	22.7
149.09692	0.8
150.06711	0.8
161.02455	1.3
161.06073	1.5
161.09738	3.6
162.05617	0.8
162.06877	1.8
163.07674	1.1
163.11293	40.6
164.07101	2.2
164.11555	1.0
171.08191	1.7
175.03923	1.3
175.07675	3.7
175.11263	0.9
177.05540	0.7
177.12851	6.5
187.05176	2.7
187.11285	15.8
188.11644	0.7
189.09229	3.1
190.02757	1.1
190.06393	0.8
190.10014	8.3
203.10808	0.9
205.05048	1.7
205.12355	100.0
205.15965	3.1
206.08363	0.8
206.12663	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	206.0823
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
54.47272	0.6
55.74431	0.6
58.02980	33.0
69.53831	4.5
69.54157	0.6
70.02984	14.2
72.00902	5.0
78.05059	0.6
82.97116	0.6
91.05540	13.8
103.05531	1.1
127.17804	0.6
135.04501	0.6
135.26688	0.6
142.66592	0.6
147.04530	36.2
148.04950	1.1
162.09273	1.6
164.07175	100.0
165.07521	2.2
181.09302	0.7
206.08224	32.0
207.08687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0664
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
59.01386	0.3
68.47911	0.2
69.24589	0.9
69.25013	0.5
77.03958	0.3
89.03970	0.2
95.05023	0.6
98.19942	0.3
105.03469	4.8
105.04187	0.2
107.47428	0.1
109.02895	0.2
121.02995	0.3
123.04534	0.6
132.02129	0.2
133.02968	38.1
134.03320	1.0
148.05261	0.3
149.02455	2.1
151.03996	0.5
161.02396	0.3
163.11285	0.2
164.04805	2.6
166.21561	0.1
177.01947	13.7
178.02252	0.3
185.36530	0.2
192.04295	100.0
193.04625	3.6
198.31976	0.2
207.06638	16.8
207.13918	1.1
208.06955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0827
Annotation	Tryptophan
Peak:m/z	Relative Intensity
65.49672	0.4
72.00917	23.5
72.29303	0.4
74.02481	32.2
74.73032	0.4
83.05082	0.5
98.20776	0.7
116.05077	100.0
117.05408	3.5
126.09272	1.8
128.05077	0.5
129.05815	0.7
130.06651	3.0
132.08228	0.7
142.06641	26.3
143.06973	0.7
157.07755	1.5
159.09290	16.3
160.09526	0.5
161.04950	1.0
186.05617	3.4
203.08281	56.1
204.08569	1.7
204.12360	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	203.0828
Annotation	Tryptophan
Peak:m/z	Relative Intensity
56.74670	0.5
59.01401	0.7
65.45411	0.6
67.77785	0.5
68.76738	0.6
70.79656	1.0
70.79990	0.9
72.00918	23.6
74.02481	32.8
77.63996	0.6
83.05045	2.1
91.05842	0.7
111.06886	1.6
116.05077	100.0
117.05408	3.0
126.09256	8.3
129.05768	0.7
129.50658	0.6
130.06645	3.2
142.06641	27.4
143.06940	0.9
159.09308	16.8
160.09610	0.7
161.04860	1.0
185.04695	0.6
186.05646	3.3
200.55347	0.7
203.08278	55.2
204.08560	1.8
204.12422	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	204.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84294	0.7
58.51710	0.6
59.01372	0.7
69.03455	2.1
69.94955	3.1
70.83104	0.6
71.01359	1.1
72.99319	1.9
73.93382	0.6
75.00892	0.6
81.03472	4.5
83.04575	1.2
83.05032	13.3
87.00862	1.5
87.92874	0.6
93.91353	0.7
110.06122	1.2
111.00886	2.2
111.06915	10.2
126.09259	73.9
127.09594	2.0
128.10831	5.2
154.08784	3.3
154.31114	0.6
160.04071	0.8
170.08246	1.8
172.09782	2.9
186.11345	1.8
204.12415	100.0
205.12793	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	204.1242
Annotation	Pantothenol
Peak:m/z	Relative Intensity
69.55289	2.9
69.55713	1.3
72.99316	1.5
78.01587	0.5
81.03452	2.1
83.05038	7.4
111.06915	5.0
126.09261	49.0
127.09578	1.0
127.68954	0.5
128.10779	3.3
154.08778	2.0
156.15202	0.5
170.08253	1.5
172.09785	2.4
186.11415	1.1
204.12421	100.0
205.12811	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	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01719	0.9
61.07511	0.3
69.72529	1.6
113.04678	0.3
140.21608	0.3
157.03583	7.0
158.03658	0.3
159.01512	1.4
201.02574	11.1
202.02692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1498
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
59.01385	29.0
69.03450	1.0
71.01408	0.6
74.51384	0.4
74.90456	0.5
85.02964	0.5
87.04531	0.5
95.01427	0.6
99.92590	0.6
104.05486	0.4
117.03452	0.8
125.09739	1.6
127.11246	0.6
138.32718	0.5
139.11293	1.4
145.03020	0.5
155.14432	6.5
156.14700	0.6
156.40248	0.4
157.03590	1.1
157.06497	1.1
157.12373	0.5
158.89355	0.5
159.01555	0.9
159.05643	0.7
159.89449	0.7
164.83641	1.1
173.02449	1.0
173.06052	2.0
183.10347	0.7
183.13954	2.4
191.16524	0.5
199.13457	0.9
201.02594	2.6
201.05563	3.4
201.11281	4.7
201.14983	100.0
201.80235	0.5
202.15317	4.6
204.65219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0725
Annotation	N-(methoxyacetyl)-4-hydroxyproline
Peak:m/z	Relative Intensity
54.91960	1.0
57.03444	2.6
59.01387	3.6
64.75840	1.1
69.03451	1.3
70.03014	1.7
71.01390	38.2
71.53022	1.2
72.99304	4.3
74.02480	3.8
82.02985	2.5
84.04566	6.4
85.02969	5.6
87.04543	2.9
88.04053	2.1
96.04548	2.9
97.02943	2.7
98.02512	3.3
98.21392	1.1
100.04059	100.0
101.02464	1.4
101.04417	1.4
102.53017	1.1
112.04069	7.7
112.07668	5.2
114.02020	2.2
115.04037	1.5
118.05124	4.6
122.06155	1.4
130.05118	24.6
140.03580	1.9
140.07176	1.6
142.01433	1.8
144.12250	1.1
156.03050	4.7
158.08261	7.4
163.78557	1.0
164.83603	1.4
184.02542	1.4
184.06136	1.8
201.80319	1.2
202.07233	59.3
203.07498	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	199.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70451	0.3
55.01870	0.5
57.03473	0.5
59.01386	0.5
67.01885	1.1
69.03457	0.5
70.03846	0.3
71.01387	0.4
71.05042	1.7
71.05370	0.3
71.54818	0.6
75.07200	0.3
75.53288	0.3
83.01398	0.4
85.02982	0.5
92.99794	1.5
97.02970	0.6
99.00899	1.0
99.08189	0.7
111.00906	1.4
111.08076	0.4
113.06148	0.3
121.09502	0.3
123.08196	0.5
125.09747	2.0
127.04031	0.4
127.11309	4.3
131.29031	0.3
136.98811	0.8
137.09767	0.4
139.19043	0.3
153.12881	1.4
155.10791	1.5
155.14456	0.9
156.05779	0.4
162.83966	0.5
163.11299	0.7
170.12854	0.3
171.04596	0.4
171.10326	0.6
174.71652	0.3
180.97746	0.5
181.12341	1.6
184.05212	0.5
197.11821	2.5
198.91197	0.7
199.07675	1.4
199.13419	100.0
199.80630	0.6
200.13777	4.7
211.82309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1342
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
51.36486	0.4
57.03446	0.9
59.01370	0.4
60.95887	0.4
67.01889	0.9
68.99839	0.4
69.24416	2.6
69.24841	1.4
71.05019	1.1
83.01430	0.4
83.05014	0.7
84.53528	0.4
85.02951	0.7
90.35044	0.4
92.99816	2.0
97.02988	0.4
99.00887	1.5
99.08167	0.8
111.00902	1.5
119.50704	0.4
125.09727	1.8
127.00365	0.5
127.11291	4.1
136.98814	0.5
153.12860	1.5
154.99844	0.6
155.10799	1.8
155.14401	0.9
155.58769	0.4
156.05765	0.5
162.83910	0.6
163.11308	0.8
164.83597	0.9
180.97914	0.4
181.12354	1.5
197.11801	1.8
198.91281	2.0
199.04070	0.8
199.13406	100.0
199.80394	0.5
200.13741	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	199.0613
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
50.83723	0.3
50.91771	0.4
55.01884	10.5
57.03449	1.1
59.01379	1.6
67.01888	1.3
67.08392	0.4
69.03452	1.1
70.03803	0.5
71.01386	0.9
71.05021	1.2
71.54639	0.6
72.04542	0.5
72.99294	0.4
73.02945	0.7
78.03422	0.4
79.95738	1.0
81.00488	0.4
81.03454	0.9
81.04648	0.4
83.01437	0.5
83.05022	1.4
85.02980	0.7
87.00871	0.4
87.38227	0.4
92.99843	1.0
93.03481	0.5
95.05022	0.9
97.02949	0.9
97.06571	0.7
98.03301	0.9
99.04509	0.7
108.62162	0.4
109.06619	1.9
110.06161	0.4
111.00895	1.6
111.08169	100.0
112.08507	2.0
113.02459	0.7
116.07197	0.6
122.03759	6.6
127.04021	1.0
130.06630	1.1
136.98845	0.4
137.06096	29.3
137.09682	0.8
138.06471	0.5
138.09277	1.1
155.07162	13.3
155.08420	0.8
155.10788	1.2
157.07706	2.2
164.83691	0.5
181.05109	6.8
182.08264	0.5
198.98918	0.5
199.00710	0.8
199.04231	0.7
199.06110	7.1
199.09760	1.7
199.13406	2.2
199.17020	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	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74484	0.5
59.01368	0.9
65.00298	0.5
69.03461	4.4
71.01379	1.3
71.54791	0.5
83.01380	0.9
83.05029	1.0
95.01395	1.9
97.02960	4.6
97.06586	0.5
101.54263	0.5
108.75407	0.5
109.02963	1.6
111.00901	0.6
112.01682	1.5
121.02966	1.7
123.00887	6.1
125.02456	0.5
125.09689	0.5
126.90501	1.1
129.65924	0.4
137.09795	0.6
138.03238	1.3
139.00435	0.5
141.09248	0.5
151.00381	0.8
151.11298	1.6
153.02005	1.0
153.05566	1.7
153.09232	1.9
153.12888	5.3
160.84224	2.6
162.83926	7.9
166.99886	4.7
169.12363	19.7
169.22006	0.5
170.12711	1.1
178.99887	0.9
179.10788	2.0
182.02242	9.4
182.05876	0.5
196.91475	1.1
197.04527	2.1
197.06067	2.1
197.08133	2.0
197.11847	100.0
197.80817	4.2
198.12236	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	198.0774
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
57.03427	0.6
59.01387	1.2
61.98834	0.7
63.97859	0.6
67.01897	0.8
69.03465	22.1
70.03831	2.9
72.94339	0.6
82.03015	0.6
83.01385	0.6
83.05032	1.3
85.02947	0.8
92.05114	3.0
93.07054	0.8
95.01386	1.1
95.05054	1.4
96.95987	0.7
97.02962	39.0
98.02482	1.1
98.20579	0.8
100.07688	1.0
108.04564	2.5
109.01783	0.6
109.06590	0.8
110.01903	0.7
110.06144	4.0
111.00903	0.8
111.04535	1.9
111.08186	1.3
112.04062	1.0
115.21796	0.6
121.05313	1.6
122.06139	4.4
124.04071	1.7
124.07696	100.0
125.08028	1.9
126.05640	1.1
134.06111	2.7
135.03297	0.7
136.07697	65.9
137.08026	1.3
138.05632	6.3
141.58955	0.6
150.39404	0.6
154.05064	3.3
154.06985	4.8
154.08739	4.0
154.12352	0.8
155.07231	1.1
156.10201	0.6
167.99280	0.8
168.06664	10.3
180.06676	56.4
181.07072	1.5
183.01604	0.7
198.04094	2.5
198.07721	15.3
198.11436	1.1
199.06161	1.0
199.13425	1.2
199.17064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.43708	0.2
59.01386	1.1
61.98832	0.8
65.00316	0.3
65.11069	0.2
69.03462	3.5
71.01389	0.7
71.54102	0.3
74.67300	0.2
79.63645	0.2
80.96542	0.3
81.03444	0.3
83.01405	0.2
83.05038	1.0
85.10921	0.2
95.01400	0.8
97.02959	1.5
97.06577	0.3
99.04559	0.2
103.97686	0.5
109.02926	0.4
112.98582	0.3
116.92891	1.0
121.02981	0.7
123.00906	2.5
123.08189	0.6
125.02435	0.4
125.09745	0.4
126.90497	0.8
137.02406	0.3
138.03236	0.7
141.09229	1.4
151.11282	0.9
153.01932	0.4
153.05588	0.8
153.09239	1.9
153.12851	5.0
154.91452	0.3
160.84236	6.2
161.09669	0.2
161.84273	0.5
162.83928	15.4
166.99869	2.0
167.10814	0.4
169.12350	18.5
170.12691	0.5
178.99852	0.7
179.10759	2.0
182.02232	4.0
190.32994	0.2
197.04828	1.0
197.11841	100.0
197.80806	8.8
198.12172	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	197.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.3
59.01377	1.1
61.09937	0.2
61.98839	2.7
65.00331	0.5
68.99575	1.0
69.03465	3.6
71.01388	1.0
71.05013	0.3
81.03459	0.5
83.05028	1.3
85.02975	0.3
93.03481	0.2
94.14631	0.2
95.01401	0.9
97.02966	2.9
97.06581	0.4
103.97670	2.3
109.02991	0.5
111.04511	0.4
112.98556	1.1
116.92879	0.4
121.02943	1.2
123.00887	3.8
123.08150	0.4
125.02431	0.5
125.09766	0.5
126.90545	1.3
135.00790	0.2
135.08180	0.3
137.02478	0.3
137.09760	0.3
138.03223	0.9
139.00264	0.3
141.09229	1.0
151.11281	1.0
152.01294	0.3
153.01964	0.7
153.05594	1.0
153.09241	2.0
153.12862	5.2
154.91347	0.7
160.84233	5.9
161.84300	0.7
162.83929	15.3
166.99857	2.8
169.12354	18.8
170.12715	0.7
178.99861	0.8
179.03468	0.3
179.10791	2.2
182.02222	5.7
182.05800	0.4
182.07384	0.2
183.02510	0.3
196.90788	0.2
197.04713	1.6
197.11844	100.0
197.78961	0.4
197.80818	7.9
198.12202	3.5
210.40935	0.2
216.09512	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01374	0.7
64.34754	0.4
64.59258	0.4
65.00333	0.4
69.03464	2.4
70.34967	0.3
71.01377	0.7
71.05029	1.2
71.55162	0.5
81.03452	0.6
83.01408	0.6
85.02960	0.3
85.06612	0.4
95.01385	0.9
95.05051	0.7
95.12243	0.3
97.02975	3.1
97.06598	15.7
99.08164	4.5
109.02961	0.7
109.06595	0.9
111.08133	0.6
116.92845	0.4
121.02977	1.4
122.03780	2.1
122.04539	0.4
123.00899	3.4
123.04475	0.4
125.02460	0.8
125.09741	1.3
126.03237	0.9
126.90504	0.8
137.09740	1.5
138.03249	1.0
146.52629	0.4
151.00456	0.4
151.11311	1.1
153.01965	1.6
153.05556	1.1
153.12863	100.0
154.05287	0.5
154.13245	3.3
162.83939	0.9
166.99899	2.3
167.99385	0.4
169.12386	1.0
178.99933	0.6
179.10786	22.4
180.11143	0.6
181.09818	0.4
182.02246	5.0
185.91031	0.4
192.98729	0.4
196.91475	1.1
197.04541	1.6
197.06140	1.0
197.08197	0.5
197.11829	11.7
197.15544	0.5
198.12358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.31210	0.5
61.98814	0.6
64.77858	0.5
69.03465	1.4
70.91636	1.1
71.05029	1.0
95.01381	0.8
95.05061	0.6
97.02956	2.1
97.06601	15.2
99.08166	3.4
104.86448	0.5
109.06578	0.8
111.04487	0.6
116.92860	0.8
121.02955	0.8
122.03773	2.5
123.00906	3.2
125.02466	0.9
125.09745	0.6
126.90530	0.9
135.04524	0.5
137.09709	2.2
137.85481	0.5
138.03264	0.9
151.11279	0.9
153.05603	1.1
153.12868	100.0
154.13208	3.2
160.84204	5.5
161.84349	0.5
162.83929	14.0
166.99886	2.1
179.10794	19.0
180.11108	0.7
182.02217	4.5
197.02180	0.7
197.04573	1.1
197.11845	9.4
197.80846	7.7
216.07805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01379	1.1
59.12429	0.4
69.03474	2.3
70.22832	0.3
70.78651	0.3
70.92198	0.9
71.53416	0.4
76.73790	0.4
83.05022	1.0
95.01390	0.9
97.02982	1.2
97.06610	0.5
111.04573	0.4
121.02950	0.6
123.00903	2.2
125.02486	0.7
127.30953	0.4
138.03276	0.7
141.09241	1.1
145.85378	0.5
151.11308	0.9
153.05606	0.6
153.09245	2.0
153.12860	4.2
160.84268	1.7
162.83952	5.0
166.99835	1.9
167.04620	1.5
169.12360	18.3
170.12715	0.5
175.66360	0.4
178.99902	0.8
179.10788	1.9
179.69234	0.4
182.02248	2.8
182.06898	0.9
184.73466	0.4
197.04572	1.0
197.11847	100.0
197.80862	2.5
198.12195	3.6
199.70621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30325	0.4
59.01379	0.9
59.09948	0.6
61.62852	0.4
65.00353	0.6
67.01888	0.8
68.99805	0.6
69.03464	2.7
71.01387	0.9
71.12952	0.7
71.13287	0.8
74.93552	0.5
81.03497	0.5
83.01388	1.7
83.05029	0.7
85.02968	0.6
89.00352	1.2
91.01898	1.6
93.03469	0.6
95.01396	3.2
95.05073	0.5
96.96018	0.6
97.02962	4.2
106.00592	1.0
108.02188	1.5
109.02977	2.6
109.04172	0.5
109.06612	1.2
111.04490	0.5
121.02969	18.0
121.06599	0.9
122.03756	36.0
123.00899	16.2
123.04019	0.6
124.01716	3.6
125.02450	1.4
125.06155	0.6
128.94386	0.5
135.00931	0.5
135.04486	0.5
135.08176	1.4
136.01669	6.3
137.02458	8.8
137.06075	1.4
138.03253	5.1
139.00426	0.5
151.00345	1.2
153.01933	3.9
153.05612	5.1
153.09242	1.8
154.02730	7.4
164.04803	1.0
166.99883	12.5
167.03546	0.7
178.99852	1.8
179.03459	0.7
179.07201	0.7
182.02281	20.8
182.05847	100.0
183.02629	0.6
183.06168	3.1
197.00842	0.6
197.04602	6.8
197.08203	33.9
197.11923	1.9
198.08232	0.5
198.76381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Syringic acid
Peak:m/z	Relative Intensity
51.48446	0.7
55.01904	1.0
58.01880	0.6
59.01375	1.5
63.02417	0.8
65.00331	1.8
67.01885	0.8
68.99841	1.2
69.03454	2.4
71.01385	1.0
71.55007	1.1
72.44027	0.6
75.00878	0.7
75.81387	0.6
77.91544	0.6
78.01131	1.1
80.81735	0.6
81.03465	1.0
83.01392	2.8
89.00350	10.9
90.16705	0.6
91.01905	4.5
95.01399	9.6
97.02961	4.8
106.00613	9.5
109.02975	0.7
110.00082	1.0
111.00903	2.5
111.04528	0.9
115.53524	0.6
118.02985	1.2
121.02969	100.0
121.06599	1.4
122.03333	2.3
123.00895	50.6
124.01260	1.4
125.02459	1.1
127.00391	2.8
136.98840	1.4
137.02444	1.6
137.30304	0.8
138.03250	17.2
139.00415	2.4
139.03983	1.8
153.01926	2.8
153.05589	55.3
153.09164	1.6
154.01480	0.6
154.02765	1.1
154.05936	1.8
164.04884	0.7
165.01898	0.8
166.99864	37.9
179.07161	1.2
182.02225	61.7
182.05756	2.1
183.02565	1.7
188.88824	0.8
197.04555	37.7
197.08224	2.1
197.11751	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0457
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
51.02388	0.4
53.97345	0.4
69.03464	0.8
69.66685	0.6
69.67097	1.1
83.01406	0.4
83.05043	0.3
85.12833	0.3
93.03445	0.3
95.01393	11.7
96.01721	0.5
97.02957	1.4
98.20560	0.4
109.02948	1.1
121.02960	1.8
121.06599	2.6
123.00893	87.2
124.01216	1.9
137.02431	0.4
138.03236	25.8
139.03545	0.6
153.01976	0.4
153.05571	1.3
153.09232	0.4
166.99864	78.2
168.00198	2.6
181.01418	0.4
182.02219	100.0
183.02562	3.2
197.04564	23.2
197.11865	0.5
198.04900	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71361	1.7
55.01881	7.7
57.03452	11.6
58.00599	5.4
59.01382	58.0
67.01847	1.5
68.99809	1.9
69.03464	23.2
69.89722	7.9
69.90020	1.6
71.01384	63.5
72.99317	11.7
73.02953	63.6
75.00880	2.8
79.01891	3.7
81.03476	5.0
83.01394	28.7
84.02152	1.9
85.02956	100.0
86.00105	8.1
87.00886	49.9
89.02455	4.5
95.01382	13.3
95.05042	5.7
95.69939	1.5
97.02959	26.8
99.00885	54.1
99.01539	2.7
101.02449	75.8
111.00897	7.7
112.01668	4.2
113.02447	16.6
115.04019	3.5
117.01955	3.1
123.00881	7.9
124.01656	1.9
125.02467	21.3
127.03970	2.9
129.01939	2.5
131.03517	26.8
140.01198	8.1
141.01949	20.8
142.02744	2.8
155.03539	14.4
157.05005	2.4
159.02953	3.9
161.04564	99.4
165.17606	1.4
172.24579	1.4
173.04558	2.2
175.06129	29.0
180.99496	1.6
191.05685	1.7
193.07176	84.0
194.07684	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0719
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01881	8.6
57.03455	10.2
58.00595	5.8
59.01387	51.5
68.99808	3.2
69.02848	1.8
69.03459	25.8
70.27914	7.0
71.01389	64.2
72.99339	10.5
73.02953	71.0
75.00893	11.0
79.01910	4.9
81.03465	8.8
83.01390	25.3
84.02175	3.1
85.02958	88.1
85.03473	4.3
86.00110	13.9
87.00879	55.0
87.11030	2.2
89.02461	5.7
95.01406	14.2
95.05046	2.5
97.02952	30.9
99.00889	64.0
99.04523	2.7
101.02451	85.4
107.01414	2.7
111.00904	6.3
112.01665	7.6
113.02486	14.4
115.04009	3.9
117.01933	2.6
123.00918	9.3
124.01709	4.0
125.02468	25.9
127.03993	2.5
131.03497	5.7
140.01186	7.2
141.01968	24.6
142.02737	4.1
152.82999	2.0
155.03552	16.9
157.05069	2.7
159.02975	2.7
161.04565	100.0
162.04951	3.1
173.04633	2.1
175.06143	10.8
193.07173	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
57.03453	1.2
58.00601	0.4
59.01385	4.7
67.01880	0.4
69.03449	2.6
69.52505	1.9
71.01384	8.0
72.99324	1.5
73.02953	9.3
75.00871	0.4
79.01910	0.7
81.03484	1.0
83.01390	2.6
85.02957	9.1
86.00120	1.5
87.00883	6.6
89.02464	1.0
95.01395	2.1
97.02963	3.6
99.00888	6.8
101.02447	10.4
107.01425	0.4
107.05020	0.8
111.00880	0.7
112.01671	0.5
113.02454	2.2
115.04086	0.4
117.01897	0.4
123.00920	0.8
125.02459	3.2
127.04044	0.4
134.03726	1.4
135.04543	30.2
136.04872	0.9
138.72136	0.3
139.16905	0.3
140.01222	0.8
141.01968	3.1
142.02730	0.6
149.06094	0.8
155.03488	2.1
159.03018	0.6
161.04572	13.6
163.04030	100.0
164.04359	2.6
178.03098	1.6
178.06371	58.1
179.06668	2.1
193.05101	1.2
193.07167	7.2
193.08748	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	188.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84125	1.1
58.02982	21.4
59.01386	94.3
60.01719	1.3
67.05531	1.4
69.03427	1.3
69.84939	5.8
71.01380	1.5
71.05035	6.9
72.99299	2.7
80.52757	1.2
84.04565	6.5
84.70496	1.0
86.06127	5.7
97.83945	1.2
98.06144	2.1
100.07705	14.0
102.09269	1.7
110.06118	5.1
126.05617	3.3
126.09259	16.0
128.07195	100.0
129.07506	2.3
142.08754	20.1
144.04500	1.1
144.10318	21.8
146.08247	56.0
170.08228	7.9
188.09296	52.1
189.09703	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	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03454	7.0
59.01383	2.3
67.01902	3.8
68.79149	0.6
70.50920	1.1
71.01378	1.3
72.99311	2.1
73.02945	1.0
76.96496	0.6
83.01403	0.7
85.02198	0.7
85.02959	34.3
87.00883	48.0
88.01208	0.7
92.95975	1.3
93.03452	1.2
99.00886	1.6
101.02470	1.6
109.03002	0.9
111.00892	100.0
111.04546	0.9
112.01256	2.1
127.04020	1.1
129.01965	6.9
130.99843	0.7
148.94963	4.5
154.99908	0.8
173.00887	2.6
191.02003	9.3
191.05623	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	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03453	6.4
59.01382	1.7
67.01894	3.4
69.46389	0.4
69.79837	0.8
69.80241	1.2
71.01393	1.4
73.02971	0.7
79.89580	0.4
85.02958	30.2
87.00882	48.9
88.01257	0.5
99.00910	0.7
101.02474	1.0
103.04092	0.4
111.00890	100.0
112.01235	2.2
112.98823	2.2
129.01955	5.4
130.99878	0.8
131.03523	0.5
154.99849	0.6
161.10320	0.4
173.00922	2.1
191.02002	9.3
191.05585	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	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83158	0.3
55.01880	1.1
57.03445	1.1
58.00598	0.7
59.01385	5.9
68.99831	0.4
69.03459	3.2
71.01387	8.4
72.99310	1.1
73.02956	10.0
75.00885	0.4
79.01898	0.7
81.03472	1.0
83.01399	3.6
85.02955	11.8
86.00090	1.6
86.01515	0.3
87.00883	7.6
88.95232	0.3
89.02448	0.4
89.03967	4.0
95.01394	2.2
97.02956	5.2
99.00890	8.8
99.01549	0.5
101.02454	10.7
106.04256	1.1
109.03023	0.4
111.00881	1.1
112.01715	0.5
112.04249	0.3
113.02461	2.2
115.04041	0.5
117.01949	0.5
117.03473	7.5
121.02950	1.8
123.00895	1.3
124.01648	0.5
125.02449	3.4
127.04044	0.7
133.02974	2.7
134.03755	100.0
135.04091	2.6
137.02441	7.4
139.04019	1.9
140.01143	1.0
141.01973	3.2
142.02649	0.5
148.01765	0.4
149.02385	0.5
149.06084	9.8
150.03244	1.0
150.06331	0.4
155.03511	2.1
157.92671	0.3
159.02992	0.8
161.04561	13.7
162.04938	0.5
175.06107	0.6
178.02725	24.9
179.03102	0.9
193.01419	0.5
193.05089	14.8
193.07176	8.3
194.05479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
58.02982	32.2
59.01385	100.0
60.01712	0.9
60.45171	0.8
65.03965	1.2
67.05521	1.4
69.03448	2.8
71.01374	2.4
71.05028	14.0
71.53325	1.4
72.99314	3.1
73.02953	1.2
82.02975	1.1
83.01397	3.0
83.05037	3.6
84.04551	4.4
85.02959	2.9
86.02483	1.7
86.06127	3.6
87.00873	3.8
87.04497	0.9
88.04022	1.4
97.02956	17.2
97.88300	0.9
98.02483	4.8
98.06137	2.9
99.00902	2.8
99.04533	1.7
100.07697	18.2
101.06088	2.3
102.05605	3.3
102.09251	1.6
105.49476	0.9
109.02974	5.0
109.06599	2.5
110.06131	4.6
112.04042	2.8
113.02434	2.4
113.04871	1.4
114.05618	5.4
116.07158	3.1
124.07689	1.2
126.05585	2.4
126.06428	1.2
126.09260	15.4
127.04014	3.8
128.03552	3.0
128.07191	69.7
129.01942	2.7
129.05566	1.3
134.17393	0.8
135.12692	0.9
137.43477	1.0
141.01971	1.5
142.05103	5.6
142.08749	33.1
142.09875	1.6
143.09103	1.0
144.06630	4.0
144.10313	21.0
145.05095	1.6
146.08246	43.3
147.06602	1.4
170.08260	12.0
171.03020	6.5
188.05649	4.5
188.09290	51.3
189.04086	9.4
189.07738	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	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03453	4.4
59.26036	0.3
63.84242	0.2
69.03450	0.7
69.17520	3.0
72.16690	0.3
80.02679	0.4
82.94601	0.3
83.05029	0.7
88.65744	0.3
95.05029	0.8
97.06596	13.3
97.07222	0.6
98.06921	0.4
99.38493	0.3
123.08176	6.6
125.09738	100.0
126.10066	2.6
143.10805	2.1
169.08731	2.4
187.09782	40.7
188.10088	0.8
200.12213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0719
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
55.88975	0.2
58.02981	0.2
59.01387	0.3
59.28793	0.2
64.90913	0.2
65.99847	0.3
68.99823	1.1
69.31296	2.0
96.00925	42.9
97.01709	14.1
103.05569	0.2
110.02487	0.4
117.07081	0.5
126.10084	0.2
130.04297	1.2
143.05037	0.8
145.06602	13.8
146.06105	0.7
146.07079	0.3
160.88322	0.2
170.06044	1.1
188.07181	100.0
189.01855	0.3
189.07516	4.3
189.12839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0562
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
63.68304	0.1
68.15357	0.1
69.23725	0.2
69.24128	1.0
70.08518	0.1
71.01396	0.2
90.62305	0.1
114.09262	0.3
116.05084	1.9
125.07326	0.1
125.09721	0.2
128.05070	0.1
140.05122	0.6
142.06633	100.0
143.06976	3.8
158.06087	0.3
186.05634	1.8
187.09804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.025
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
55.01890	0.7
57.03455	2.7
58.00588	1.1
58.02981	0.6
59.01385	6.1
67.01897	11.5
68.99813	1.9
69.03484	0.5
71.01394	3.2
71.05018	2.2
71.52889	0.7
71.53281	0.6
72.99319	3.9
73.02952	17.9
73.04079	9.8
81.03465	1.4
81.07111	0.5
83.01404	1.6
83.05028	2.6
85.02948	1.7
85.06601	1.3
87.00868	0.5
90.41248	0.4
90.97117	0.9
95.05013	1.4
96.99338	0.5
97.02945	0.6
97.06604	6.7
99.00905	2.8
99.04534	8.1
99.08162	1.7
106.45000	0.4
111.00894	100.0
111.04501	0.9
112.01239	1.2
112.07765	0.5
113.06100	1.7
114.09314	0.5
115.00438	0.5
115.04031	4.2
116.07198	0.9
123.08214	0.7
125.02503	2.4
125.06100	50.0
125.09734	7.9
126.06398	1.3
127.00410	1.3
127.04033	3.7
128.07169	1.1
129.05640	0.6
130.08759	18.5
139.04034	1.1
141.05577	1.2
141.86871	0.7
143.03519	11.9
143.07161	13.6
143.11914	11.3
144.04602	0.9
146.08347	0.7
154.99919	1.5
159.03073	0.6
159.04495	0.7
168.88954	1.4
169.05095	15.9
169.08752	0.4
170.05424	0.7
172.05392	0.8
186.90019	0.5
186.95622	0.8
187.02533	1.5
187.04185	1.0
187.06166	18.5
187.07576	0.8
187.07968	1.2
187.11005	10.9
187.13411	0.6
188.09229	1.0
188.12859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0615
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
57.03445	1.4
58.02970	0.7
59.01385	50.8
68.05056	1.0
68.99832	0.7
69.03452	1.4
70.02982	3.4
71.01389	11.7
71.35296	1.2
72.00953	0.6
78.95924	0.8
80.05043	0.7
83.01419	0.9
83.05031	1.3
84.04564	10.3
85.02958	0.7
94.02988	4.0
95.05051	3.0
96.00940	1.5
96.04574	0.6
97.01704	5.1
97.02976	1.0
97.06593	3.6
98.02490	1.0
98.06118	1.4
100.00423	0.8
102.07622	0.6
110.02488	2.7
110.98519	1.0
111.04520	1.4
112.04058	100.0
112.07690	0.9
112.70678	0.6
113.02457	5.0
113.04429	1.6
113.06102	1.0
122.06136	12.9
123.04534	1.3
124.04055	72.4
124.98789	0.7
125.02442	2.8
125.04348	1.0
138.05562	1.2
140.05542	1.2
140.07193	33.6
141.05591	3.4
141.06725	3.6
141.09261	0.6
142.96629	2.3
166.05087	5.9
167.03477	1.0
184.06163	66.8
185.06473	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1392
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.65814	0.4
69.40820	3.2
76.81405	0.4
98.20603	0.9
111.00887	0.4
124.01670	0.6
142.51532	0.4
158.77383	0.3
168.00677	1.8
183.00533	0.7
183.02985	0.6
183.13911	100.0
184.14264	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	184.0617
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
53.05645	0.6
58.02982	5.6
59.01384	53.0
69.82067	2.7
69.82461	1.2
70.02975	2.8
71.01384	13.1
71.76453	0.5
79.64909	0.6
83.73649	0.6
84.04559	10.2
94.03010	4.2
94.06641	0.7
95.05026	1.8
96.00930	1.3
97.01695	6.2
98.06142	1.8
110.02498	3.1
112.04058	100.0
113.02468	1.7
113.04401	1.3
113.06084	1.1
122.06135	9.0
124.04055	73.9
125.04381	1.7
139.04025	0.6
140.07190	32.3
141.05655	0.8
141.07590	1.1
143.08253	1.4
166.05098	6.4
184.06158	64.3
185.06500	1.8
185.09306	1.7
204.97737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13858	0.3
58.38335	0.3
59.01377	1.1
59.29237	0.3
63.02386	0.4
69.42480	2.2
71.01392	1.0
73.02946	0.4
75.00896	0.4
83.01411	0.4
85.02949	0.6
87.00880	2.2
89.02500	0.5
91.05511	0.4
107.01395	0.6
108.02199	0.8
117.03456	0.4
121.03013	0.4
135.04543	3.6
137.02419	0.4
145.02951	3.1
146.03752	100.0
147.04462	3.9
151.00305	0.5
151.04004	0.6
161.04665	1.2
161.06088	21.2
162.06389	0.8
163.04056	1.3
164.04810	24.1
165.05124	0.5
178.99936	0.7
179.03604	0.4
179.05592	2.3
179.07166	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	179.0563
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
57.03434	0.8
58.00594	1.3
59.01389	19.6
63.02383	0.8
69.03469	1.2
71.01394	14.0
71.05022	3.4
71.35126	1.4
72.97736	0.7
72.99316	11.5
73.02953	8.7
75.00882	100.0
80.34664	0.8
81.03467	6.7
83.01409	1.6
85.02976	7.4
87.00885	22.8
87.04520	0.8
89.02467	6.9
91.01947	1.2
97.02980	2.2
99.00899	9.4
99.04536	3.3
101.02461	2.0
113.02497	1.3
117.01964	2.7
121.02972	1.3
125.02460	2.5
131.03499	1.4
135.04532	6.3
141.01971	1.3
143.03499	12.1
151.00441	0.7
159.03041	1.0
161.04579	14.7
164.04794	1.2
179.05627	55.0
180.06085	1.1
180.56407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.7
69.72654	1.9
71.01416	0.4
75.00900	0.8
83.01453	0.5
87.00896	1.4
91.05579	0.8
93.03477	0.5
95.53036	0.3
105.03512	0.5
107.05088	0.4
108.02183	0.8
117.03499	0.5
119.05090	0.3
121.02969	0.7
123.04489	0.3
129.02045	0.4
135.04549	6.1
140.25864	0.3
145.02974	5.5
146.03758	100.0
147.04535	4.9
161.04648	1.2
161.06097	17.4
162.06570	0.4
163.04022	3.1
164.04811	54.1
164.30087	0.4
165.05139	1.5
179.03659	0.8
179.05663	0.8
179.07147	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	179.0563
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
57.03455	1.0
58.00603	0.6
58.05990	0.7
59.01384	18.5
64.43911	0.7
69.03458	1.0
69.49625	4.5
71.01386	14.9
71.05025	2.4
72.99317	9.9
73.02951	9.2
75.00877	100.0
81.03463	6.4
81.49332	0.7
83.01383	1.5
84.02174	0.7
85.02959	5.4
87.00886	18.8
87.04519	1.3
89.02444	6.2
97.02959	1.5
98.19904	1.2
99.00884	7.2
99.04533	2.0
101.02451	2.5
110.09197	0.6
113.02451	1.1
117.01964	1.9
123.04482	0.7
125.02461	2.6
131.03471	1.0
135.04533	2.6
141.01990	0.6
143.03500	10.8
149.02441	1.1
151.00244	0.6
161.04561	11.7
164.04854	0.8
179.05621	50.2
180.05977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.2
63.02388	0.2
65.00336	0.4
65.03970	1.7
67.01894	0.3
71.01382	0.2
71.55764	0.3
76.83529	0.2
79.05556	0.5
87.00875	0.5
107.05040	3.7
109.02971	1.5
121.02970	0.2
128.78606	0.1
134.06155	0.2
135.04536	70.5
136.04877	2.0
149.06061	0.5
151.00342	0.2
153.93362	0.2
161.04591	0.2
163.04021	100.0
164.04367	3.0
177.05673	0.3
178.06380	3.2
178.99802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
69.77963	1.4
73.16726	0.3
79.95734	0.3
87.00902	0.6
98.20673	0.2
119.93774	0.7
134.96104	45.2
135.96152	1.8
136.94025	100.0
137.94099	5.1
138.94423	0.3
151.92732	16.0
152.92824	0.9
161.04619	0.4
164.01108	0.2
178.95079	56.8
179.05612	0.3
179.95183	2.9
196.96085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0195
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
54.58349	0.2
55.32364	0.2
55.65937	0.2
57.02662	0.2
59.01376	0.3
59.30297	0.2
62.64734	0.2
69.75259	0.7
69.75648	0.4
71.01412	0.3
77.03982	1.2
79.01875	0.2
81.03454	2.2
89.03976	10.6
90.04311	0.3
93.03462	1.6
95.05045	1.3
98.19924	0.3
105.03469	14.6
106.03831	0.5
107.01405	0.6
109.02954	0.6
119.49586	0.2
121.02963	1.2
133.02971	29.7
134.03238	1.1
135.00917	0.5
139.04050	0.5
145.53049	0.2
149.02469	4.6
162.03246	3.7
171.91463	0.2
177.01942	100.0
178.02274	3.5
181.36676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0765
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
55.01895	0.4
57.03447	0.5
58.00593	0.6
59.01385	14.1
62.80430	0.4
65.03988	0.5
67.01891	0.8
68.99811	0.5
69.03468	1.4
69.53166	0.8
69.53574	1.9
71.01396	3.5
72.99352	0.4
73.02960	1.9
78.95466	0.4
79.05543	15.0
80.05877	0.7
83.01403	0.9
84.02184	0.7
85.02957	3.9
87.00898	2.1
87.04495	0.4
93.03481	2.2
95.01397	0.6
95.05032	0.5
97.02966	1.1
98.19878	0.5
99.00912	1.3
105.07127	0.5
107.05042	62.9
108.05373	2.0
111.56498	0.4
113.02443	0.4
113.06096	0.5
115.00381	1.2
115.04018	1.4
115.05564	0.9
115.70988	0.3
116.92838	0.9
119.05033	0.6
125.02440	0.6
129.05643	0.5
129.07135	1.3
131.03497	1.1
131.05045	1.0
131.08684	4.9
132.98201	2.8
133.06596	2.3
145.02974	0.6
146.03781	0.5
147.04567	0.9
147.08157	1.1
148.01663	2.8
157.06589	3.1
159.04527	10.3
160.05304	4.4
173.06097	0.9
174.82814	0.7
174.88995	3.8
174.99261	1.3
175.04077	2.3
175.06279	4.5
175.07648	100.0
176.03600	0.7
176.08005	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	175.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01382	18.8
60.01710	0.4
65.03975	0.5
67.01884	0.6
69.03463	1.5
71.01387	4.0
72.99320	1.2
73.02951	1.5
75.00870	0.5
79.05539	12.6
80.05876	0.4
83.01394	1.5
83.51832	0.3
84.02151	0.9
85.02962	4.3
85.06602	1.2
87.00877	3.9
87.04553	0.6
93.03465	1.9
95.05013	0.7
97.02955	1.2
98.11012	0.4
99.00891	1.4
100.01682	0.7
101.02462	0.6
105.63390	0.3
107.05039	56.5
108.02208	0.5
108.05374	1.4
109.39994	0.4
113.06096	1.2
115.00377	1.4
115.04027	2.1
115.05524	0.6
117.01957	0.5
119.04993	0.6
121.02998	0.5
122.03802	0.8
124.01750	0.4
124.98864	0.4
129.07101	2.6
131.03531	1.2
131.05042	1.1
131.08673	6.4
132.09045	0.5
132.98221	4.5
133.06575	2.5
135.28418	0.4
145.02916	0.6
146.03737	1.3
147.04543	1.5
147.08102	0.8
148.01692	1.7
157.01407	0.4
157.06635	3.1
159.04526	8.7
159.06816	0.3
160.01619	0.6
160.05295	3.8
163.04045	0.5
164.38031	0.5
173.06052	0.6
174.82788	0.7
174.86139	0.8
174.87628	0.5
174.89003	5.1
174.99240	1.5
175.04231	3.5
175.06256	4.6
175.07642	100.0
176.03485	0.8
176.08043	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	175.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31944	0.4
59.01386	17.9
69.03448	1.0
71.01395	2.2
71.54548	0.8
72.99316	0.8
73.02970	1.4
79.05544	14.5
80.05885	0.5
83.01405	0.6
85.02956	3.0
85.06595	0.6
86.62192	0.4
87.00895	2.4
90.97157	0.8
93.03471	1.6
95.04147	0.4
95.05083	0.6
97.02963	0.8
99.00893	0.9
105.07101	0.5
107.05046	62.8
108.02113	0.4
108.05389	1.8
115.00404	1.8
115.04018	1.5
122.03779	0.4
124.98775	0.5
129.07121	1.4
131.03523	0.8
131.05035	0.6
131.08679	5.2
132.98213	4.0
133.02910	0.5
133.06604	2.3
145.02910	0.8
146.03726	0.6
147.04523	0.8
148.01711	2.2
149.02441	0.6
157.06599	2.9
159.04538	10.3
160.01669	0.5
160.05327	5.0
161.02448	1.4
173.06033	0.6
174.82893	0.6
174.88985	3.4
174.99246	1.5
175.04128	1.8
175.07655	100.0
176.03607	1.0
176.08009	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	175.0614
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
57.03443	2.2
59.01384	9.7
68.35886	0.7
69.03460	2.1
71.01385	4.8
71.05034	2.8
71.29601	1.7
72.67456	0.7
72.99312	2.4
73.02950	6.9
75.00893	1.1
75.07471	0.7
76.32278	0.6
81.03479	1.1
82.00988	0.6
83.05041	1.2
85.02941	3.7
85.06596	39.0
87.00886	100.0
87.04516	12.7
95.05036	2.1
97.02963	0.8
99.00908	2.2
101.02450	21.5
101.06075	1.6
111.04541	3.2
113.02451	2.8
113.06100	39.6
114.06403	0.8
115.00381	3.0
115.04021	11.1
117.01936	1.0
129.05586	4.4
131.03499	4.3
131.07161	16.5
132.07549	0.8
146.27077	0.7
153.42178	0.7
157.05066	8.6
167.50459	0.8
175.06134	44.5
175.11691	0.9
176.06502	0.9
191.05821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.076
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
55.01894	0.4
57.03443	0.5
59.01386	15.9
65.03971	0.8
68.99805	0.4
69.03465	1.1
69.66778	2.7
71.01393	2.5
72.99317	0.7
73.02962	1.8
79.05541	14.3
82.62405	0.5
83.01414	1.4
83.05043	0.5
84.02199	0.8
84.92205	0.4
85.02953	3.2
85.06605	1.1
85.34583	0.4
87.00883	2.5
91.46328	0.4
93.03470	1.9
95.01363	0.6
95.05039	0.6
96.99327	0.4
97.02958	0.8
99.00850	0.7
105.07095	0.7
107.05042	62.6
108.05355	1.3
110.54787	0.4
113.06084	1.0
115.00423	0.7
115.04006	1.6
115.05496	0.7
119.05038	0.5
129.05569	0.6
129.07100	1.2
131.03477	1.1
131.08682	5.5
132.98218	3.3
133.06639	2.2
145.02950	0.9
147.04524	0.8
148.01729	2.4
157.05264	0.5
157.06570	2.3
159.04530	9.0
160.01660	0.8
160.05310	5.3
174.82809	1.0
174.86028	0.9
174.88997	3.5
174.99275	1.4
175.04112	2.4
175.06265	4.6
175.07649	100.0
176.03560	0.9
176.07993	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	175.0613
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
59.01392	3.1
61.49768	0.3
69.92519	1.6
71.01378	0.8
85.02948	0.5
85.06598	23.1
86.06943	0.6
87.00885	100.0
87.04514	6.6
88.01228	1.1
98.20013	0.4
101.02449	3.4
113.06104	17.6
114.06451	0.5
115.00375	0.7
115.04031	3.6
129.05589	1.5
131.07166	1.4
157.05104	2.1
175.06136	28.6
175.11678	0.5
176.03558	0.5
176.06378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
59.01384	9.7
68.35886	0.7
69.03460	2.1
71.01385	4.8
71.05034	2.8
71.29601	1.7
72.67456	0.7
72.99312	2.4
73.02950	6.9
75.00893	1.1
75.07471	0.7
76.32278	0.6
81.03479	1.1
82.00988	0.6
83.05041	1.2
85.02941	3.7
85.06596	39.0
87.00886	100.0
87.04516	12.7
95.05036	2.1
97.02963	0.8
99.00908	2.2
101.02450	21.5
101.06075	1.6
111.04541	3.2
113.02451	2.8
113.06100	39.6
114.06403	0.8
115.00381	3.0
115.04021	11.1
117.01936	1.0
129.05586	4.4
131.03499	4.3
131.07161	16.5
132.07549	0.8
146.27077	0.7
153.42178	0.7
157.05066	8.6
167.50459	0.8
175.06134	44.5
175.11691	0.9
176.06502	0.9
191.05821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.6
58.02971	7.0
59.01381	21.0
60.01728	2.2
69.03445	7.2
70.03020	1.9
71.01383	15.9
71.05011	2.2
71.53833	2.5
71.71541	1.9
72.01722	6.1
72.99307	7.5
73.02937	14.9
75.00867	3.6
83.01382	3.9
83.05034	9.7
84.05350	2.6
85.02960	12.2
85.06595	37.9
86.06121	4.0
86.06924	16.1
87.00883	100.0
87.04517	15.1
88.04028	2.9
98.72668	1.8
99.00879	5.7
99.04457	1.8
100.01238	3.6
100.07678	4.9
101.02463	7.7
102.05627	5.4
111.04506	5.6
112.01224	3.2
112.04133	2.4
112.04853	11.2
113.02474	6.0
113.06093	27.1
115.00370	9.5
115.04005	5.1
124.98833	3.1
125.99170	2.7
128.07173	14.2
128.10818	19.2
129.05569	5.2
130.05939	9.2
131.03534	7.4
131.07169	14.2
132.06711	3.0
135.67249	1.8
144.00198	6.6
147.50787	1.9
156.03822	7.9
157.01367	2.2
157.05035	3.5
174.04903	4.3
174.07751	12.3
174.11356	67.5
175.02461	2.2
175.06122	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14600	4.3
52.99885	3.6
57.03466	4.1
57.72685	3.5
58.02980	7.6
59.01384	29.0
69.50672	18.6
71.01382	33.3
72.01716	4.7
73.02963	6.3
75.00868	11.1
78.53518	3.8
83.62376	4.0
85.06609	3.1
86.06133	3.9
87.00880	30.3
92.65431	3.8
93.30981	3.3
99.00893	4.8
115.00376	22.2
116.81663	3.8
124.98787	5.3
128.07175	11.1
128.10852	5.6
144.00204	11.3
174.07697	9.0
174.11382	100.0
175.02473	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00304	1.8
55.01881	7.3
57.03454	6.7
58.02977	1.4
58.93245	1.0
59.01386	29.1
67.01878	4.1
67.05535	9.7
68.99816	3.9
69.03440	3.4
70.19577	1.6
70.19952	1.9
71.01389	100.0
71.05013	1.7
72.01723	1.5
72.99320	5.9
73.02954	7.8
75.00863	1.4
80.99799	2.7
81.03472	3.1
83.01376	9.0
83.05026	10.0
85.02963	7.2
85.06597	74.5
86.06895	1.1
87.00875	7.6
93.03471	6.9
96.99313	6.6
97.84046	1.2
99.00888	35.8
99.04556	1.8
100.07733	1.3
101.02489	1.8
102.05668	1.4
104.55007	1.1
108.34642	1.0
111.00903	28.0
111.04530	61.5
112.04874	1.2
112.98089	2.1
112.98826	33.3
113.02464	3.4
115.00356	4.6
124.98820	29.6
127.03993	2.3
128.07170	1.9
128.10840	1.2
129.01947	2.9
129.05591	33.5
137.02461	6.4
140.98315	1.9
142.99876	68.3
145.01343	1.3
154.99869	2.1
155.03525	31.2
173.00945	14.1
173.04558	28.1
173.08026	2.2
174.11346	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	173.0457
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
55.01883	5.3
57.03446	9.1
59.01384	44.2
60.99292	1.4
67.01907	7.7
67.05537	12.5
68.99817	3.3
69.03454	4.9
70.52502	2.9
71.01389	66.9
71.05014	1.6
72.99306	5.3
73.02949	5.7
81.03465	3.9
81.98376	1.1
83.01402	6.6
83.05038	15.6
85.02949	8.8
85.06598	100.0
86.06947	1.2
87.00882	11.1
87.04568	1.6
93.03477	6.4
95.46854	1.2
96.99331	3.3
99.00886	25.0
99.04527	5.1
101.02448	1.8
101.06078	1.4
110.38837	1.2
111.00894	49.0
111.04531	82.8
112.04819	1.3
112.98819	22.0
113.02482	4.9
115.00385	3.4
117.09828	1.1
117.98808	1.1
124.98819	17.5
127.04005	3.5
128.10849	2.6
129.01953	1.9
129.05603	58.9
130.05850	2.1
137.02461	10.8
142.99873	39.7
154.99902	1.5
155.02267	2.5
155.03528	44.6
173.00983	7.8
173.04573	40.2
173.08147	7.9
174.07716	1.8
174.11346	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	173.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	2.8
55.01883	7.5
56.64025	1.0
57.03444	4.2
59.01383	9.5
60.99325	0.9
67.01878	4.2
67.05537	1.1
68.99815	3.5
69.79517	1.6
69.79928	3.4
71.01388	100.0
72.99332	5.1
72.99679	1.3
73.02946	5.9
73.06792	1.0
80.99809	1.4
83.01386	10.4
83.05021	1.8
85.02948	4.8
85.06597	12.8
87.00894	6.9
93.03465	3.2
96.99342	4.3
98.19996	1.7
99.00891	31.2
100.01197	1.1
101.05424	0.9
104.91051	0.9
110.81904	1.0
111.00899	19.3
111.04523	9.4
112.98820	46.2
113.99134	1.1
115.00376	4.1
116.59405	0.8
124.98814	26.1
129.05603	5.5
129.13861	0.8
130.86998	1.1
136.32083	1.1
137.02417	1.7
140.98264	1.8
142.99872	57.5
154.99818	1.1
155.03506	4.5
173.00926	10.5
173.04523	3.8
173.05923	0.8
173.08356	1.0
174.11400	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	170.9759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98039	2.4
57.03432	0.4
58.00601	0.1
58.02970	0.2
59.01373	0.4
60.80760	0.1
65.00332	0.4
68.99842	0.2
69.03471	0.2
71.01360	0.3
71.54033	0.3
73.02976	0.2
73.45041	0.1
79.65798	0.1
81.03482	0.3
81.51982	0.2
82.99618	100.0
83.05027	0.3
83.99521	0.2
83.99956	1.3
84.04529	0.2
85.02948	0.3
86.02493	0.1
88.04041	0.4
95.01392	0.4
97.03008	0.2
97.06625	0.2
99.00880	0.5
99.04546	0.3
100.07685	0.6
103.48750	0.1
109.06579	0.8
111.00901	0.6
112.04085	0.5
113.02453	0.2
117.73998	0.1
125.09711	0.4
126.98613	19.6
127.04002	0.2
127.07690	1.0
127.11296	0.5
127.98929	0.3
128.07066	0.2
128.10791	0.3
130.08754	2.2
139.00372	0.2
140.07187	1.1
141.03983	0.2
143.05031	0.2
144.04570	0.3
153.05519	0.2
170.83296	0.9
170.97595	4.7
171.01909	1.4
171.06767	0.9
171.10283	6.7
171.13927	0.9
172.04079	0.2
172.06154	0.2
172.09746	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	171.1393
Annotation	Decanoic acid
Peak:m/z	Relative Intensity
55.01876	1.3
55.63788	0.8
59.01377	4.1
61.98829	1.8
65.00323	2.8
68.99816	1.7
71.01379	1.9
71.54918	1.9
73.02946	1.1
83.01400	1.5
83.05036	2.5
84.04534	1.8
88.98828	1.8
89.02444	3.4
92.47776	1.0
95.01381	1.2
96.96036	1.7
97.02950	1.6
99.00905	6.9
99.08186	1.2
99.92603	1.7
109.06599	2.7
111.00871	2.0
112.04050	2.8
117.00462	1.7
125.09704	1.0
127.00397	1.4
127.02927	1.1
127.07670	11.9
127.11301	4.4
128.90102	2.9
130.08777	1.7
130.78200	1.0
134.86623	1.7
136.86293	1.9
144.04552	6.2
152.98274	1.9
153.09235	1.6
170.83315	3.2
170.88420	4.9
170.97758	1.2
171.02002	15.2
171.03249	1.7
171.06601	2.7
171.08078	1.5
171.10292	42.8
171.13927	100.0
172.04105	2.3
172.06154	2.0
172.09668	5.2
172.14265	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	169.0145
Annotation	Gallate
Peak:m/z	Relative Intensity
57.03453	9.0
63.02399	3.6
65.00330	13.4
71.07679	0.7
77.78697	0.5
81.03468	6.0
83.01395	38.0
84.01723	0.8
84.35121	0.4
96.24330	0.4
103.15295	0.4
105.98875	0.4
107.01405	21.3
108.99326	0.6
117.02618	0.4
119.07441	0.4
125.02466	29.6
126.02835	0.6
151.00386	100.0
152.00729	3.3
169.01440	64.5
170.01770	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	169.0144
Annotation	Gallate
Peak:m/z	Relative Intensity
51.51701	0.3
53.67555	0.3
54.80674	0.3
57.03455	8.9
57.15971	0.3
63.02406	2.9
65.00327	12.9
70.18159	1.3
81.03471	5.5
83.01395	35.6
84.01751	0.7
97.02961	0.5
97.06619	0.4
107.01401	18.7
108.99314	0.4
125.02461	27.9
126.02766	0.8
139.00409	0.7
151.00381	100.0
152.00771	2.7
169.01439	61.8
170.01723	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	170.046
Annotation	Cetoniacytone B
Peak:m/z	Relative Intensity
55.87922	0.5
58.02992	2.2
58.09488	0.6
59.01385	5.1
62.84704	0.5
68.96829	0.6
69.03471	2.1
69.55648	3.9
70.02985	1.4
71.01394	0.9
71.05040	1.7
79.31126	0.6
81.03480	1.2
82.99630	1.4
83.01399	1.0
83.05025	1.0
84.04557	3.7
85.02952	1.2
94.02998	4.4
95.01410	0.8
96.00943	0.9
96.04581	1.1
97.01721	1.9
97.02989	2.3
97.80917	0.5
98.02476	4.4
98.19987	1.0
100.65578	0.5
108.04571	0.9
109.02957	2.2
110.02490	10.2
112.04065	7.4
122.02476	6.1
122.06080	0.6
124.04067	3.6
125.01200	30.8
125.07179	0.7
126.01527	0.8
126.02797	0.9
126.05685	1.4
126.09288	1.5
126.15239	0.6
127.04041	0.7
128.07202	2.0
131.04793	0.5
134.04765	1.7
136.00444	0.6
138.01985	16.4
139.02774	10.3
140.03555	100.0
141.03914	2.5
142.08754	0.6
152.00697	1.6
152.03513	3.8
163.94099	0.5
168.03001	1.5
170.04604	61.2
170.08266	1.9
171.01926	0.9
171.04965	1.6
171.10307	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	168.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	100.0
58.98991	0.4
59.03307	0.6
59.29249	0.4
61.98826	0.6
69.03439	0.5
69.52760	2.0
70.02988	0.6
82.95455	1.1
84.41431	0.3
91.92716	0.4
96.99353	0.3
97.02977	0.5
98.20599	0.6
125.02454	7.3
125.03336	0.5
131.61577	0.3
153.01541	0.6
168.13928	7.0
168.98997	0.4
169.01453	1.9
173.58844	0.3
186.13905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Gallate
Peak:m/z	Relative Intensity
51.94066	0.4
55.01888	0.7
56.95969	0.4
57.03453	9.7
57.60481	0.4
63.02410	3.0
65.00327	14.2
67.03030	0.5
68.99815	0.7
69.03460	0.6
69.32968	0.7
69.33379	2.4
70.02962	0.4
71.01392	1.2
76.70595	0.4
80.96523	0.6
81.03461	6.2
83.01392	37.7
84.01732	0.8
84.04582	0.6
85.02977	1.2
95.42226	0.4
96.09808	0.4
96.96013	1.8
97.02967	0.8
98.00112	0.5
98.02480	0.7
98.19943	1.0
98.95610	0.4
99.00909	1.8
107.01395	19.0
108.01759	0.8
110.00101	0.7
111.00893	1.3
113.02448	3.3
125.02458	30.6
125.06087	1.5
125.99606	1.1
126.02779	0.7
127.32948	0.4
139.00378	2.8
140.03568	0.9
151.00378	100.0
152.00722	2.8
153.99130	1.0
169.01431	71.3
169.09799	0.4
170.01773	2.2
170.04568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
52.56068	0.3
57.03447	1.5
59.01390	2.9
63.02391	0.5
64.86014	0.3
65.00317	3.0
67.01911	1.0
69.48353	2.0
76.01034	0.4
76.09249	0.4
80.02694	0.9
81.03467	26.6
82.03821	0.5
83.01394	12.8
83.01894	0.6
91.01917	0.7
93.03474	0.7
95.01391	1.9
95.05051	3.6
97.02953	0.4
98.19913	0.7
99.04562	0.6
101.84776	0.4
107.01393	3.7
108.02198	5.9
121.02937	0.5
122.03750	0.4
123.00931	1.0
123.04536	100.0
124.01675	0.9
124.04855	3.5
125.02457	8.1
133.25079	0.3
136.15793	0.4
137.02451	0.4
139.04002	0.7
149.02495	0.7
151.00378	5.0
152.01173	9.4
153.01959	1.9
167.03508	71.8
168.03922	2.3
185.69141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.2
65.00329	0.4
76.12891	0.2
81.03463	0.6
91.01923	1.0
93.03473	0.7
95.01398	1.4
95.05031	0.4
96.96005	1.6
97.02986	0.2
98.19896	0.7
108.02181	9.1
109.02956	0.5
111.00889	0.3
111.04522	0.3
121.02968	13.9
122.03760	18.6
123.00864	1.4
123.04556	6.1
123.08171	1.5
124.01699	2.4
124.48779	0.2
125.02471	0.3
134.03754	0.6
136.01669	2.5
137.02463	3.1
137.06081	0.3
149.06055	0.4
152.01196	15.2
152.04803	100.0
153.01779	0.4
153.05144	2.6
154.02763	2.6
166.99826	0.2
167.03516	5.0
167.07150	11.3
168.07649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1079
Annotation	Ascaridole
Peak:m/z	Relative Intensity
53.28020	3.4
59.28050	3.9
59.30199	4.0
70.72286	5.6
70.72622	7.0
72.81867	3.4
80.02688	4.1
95.01394	7.3
108.02183	100.0
109.02502	5.1
123.04549	48.0
123.86991	3.5
143.09532	3.8
152.01161	44.2
167.03500	43.8
167.10779	76.8
172.84109	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	167.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72894	0.3
66.99012	0.3
67.54462	0.4
69.52872	1.4
69.53300	0.9
77.38531	0.3
80.02689	5.6
98.19903	0.6
108.02189	100.0
109.02487	2.1
123.04545	43.1
124.03996	0.3
124.04877	1.0
152.01187	6.2
167.03517	31.2
168.03905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20377	0.2
69.61802	1.3
80.02690	5.5
82.95415	0.3
91.54321	0.2
108.02183	100.0
109.02503	2.8
123.04534	39.8
124.04852	1.3
152.01166	6.4
167.03506	30.6
167.35762	0.3
168.03859	1.0
185.16638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
57.03449	1.1
58.87344	0.6
59.01384	2.1
65.00332	3.1
67.01905	1.0
69.03458	0.9
71.55036	0.5
80.02695	3.1
81.03464	16.4
82.03799	0.5
83.01389	8.6
83.05054	0.9
91.01900	9.2
91.03034	2.9
93.03494	0.8
94.06635	1.4
95.01411	3.4
95.05040	2.4
96.04566	0.6
96.96059	0.7
97.02911	0.7
99.04542	1.1
102.84468	0.6
107.01388	2.8
108.02185	64.4
109.02441	0.7
109.03078	0.6
111.00932	0.8
112.01196	0.5
121.02946	3.4
122.03802	2.7
123.00903	2.1
123.04536	100.0
123.08167	1.6
124.01659	2.7
124.04866	3.1
124.07711	1.3
125.02478	6.2
135.02037	1.0
136.01701	0.7
137.02452	1.3
139.00356	1.0
149.02487	1.1
149.06136	0.6
151.00385	3.6
152.01166	91.3
152.04785	16.1
153.01498	3.2
167.03506	62.4
167.07149	2.4
168.03839	2.3
168.06612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39109	0.2
55.37197	0.2
57.14468	0.2
67.28365	0.3
69.97271	1.2
80.02689	5.6
97.12878	0.2
108.02185	100.0
109.02505	3.1
123.04537	41.0
124.04890	1.0
152.01157	4.8
167.03510	28.3
168.03865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0349
Annotation	Orsellinate
Peak:m/z	Relative Intensity
51.39632	0.3
53.99457	0.3
66.37879	0.3
69.18739	2.6
80.02684	5.6
81.03495	0.3
95.01378	0.5
108.02184	100.0
109.02502	2.0
111.43767	0.3
123.04535	42.6
124.04856	1.2
152.01173	5.3
160.36774	0.3
167.03506	30.4
168.03819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0352
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
68.99792	0.4
69.94645	1.7
71.01377	0.4
79.69847	0.4
80.02689	2.0
80.29135	0.4
81.03481	0.6
91.01907	1.5
91.02524	0.3
93.03509	0.7
95.01407	3.3
95.05039	1.3
97.02962	0.4
98.20742	0.5
108.02185	57.4
109.02444	0.9
111.08186	0.6
112.01577	0.4
121.02956	1.4
121.06648	0.5
122.03766	1.0
122.06179	0.5
123.00912	2.9
123.04540	20.6
123.08146	0.6
124.01680	2.8
124.04889	0.5
125.02446	0.7
137.02460	0.8
139.00412	0.7
139.04002	1.2
139.07626	1.7
149.02466	0.5
149.06079	0.7
152.01166	100.0
152.04620	2.2
153.01517	2.2
167.03506	21.4
167.07175	1.5
168.03844	0.8
168.06685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06517	0.5
57.03451	1.3
59.01394	2.4
63.02406	1.1
65.00327	4.2
65.20216	0.6
67.01904	0.9
67.73204	0.6
69.03445	1.0
69.79334	3.3
73.35611	0.6
80.02685	1.7
81.03465	17.4
83.01401	9.8
85.76899	0.5
91.01907	8.8
93.03471	1.2
94.22600	0.6
95.01412	3.9
95.05051	2.9
96.96039	1.1
98.19971	0.9
99.04523	0.6
105.07107	0.7
107.01409	3.1
108.02187	59.6
109.02466	0.7
111.00873	0.9
111.04431	0.8
119.13615	0.5
121.02972	6.4
122.03780	6.9
123.00942	4.5
123.04539	99.8
123.08168	1.9
124.01707	3.7
124.04872	2.6
125.02462	7.8
136.01639	1.1
137.02420	1.8
139.03973	0.9
149.02443	0.9
149.06126	0.6
151.00406	4.1
152.01167	100.0
152.04794	41.1
153.01544	3.1
153.05125	1.2
154.02786	0.8
167.03510	73.1
167.07162	5.4
168.03877	1.5
168.06682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0352
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
66.67970	0.2
69.92930	0.7
69.93343	0.6
80.02692	5.4
81.03454	0.3
82.33560	0.3
86.92763	0.3
90.88388	0.2
91.01910	0.4
95.01398	1.1
95.05064	0.3
97.02937	0.3
98.20045	0.4
108.02186	100.0
109.02486	2.5
123.00900	0.6
123.04540	41.5
124.01717	0.4
124.04853	1.4
125.02419	0.4
137.02469	2.0
137.08044	0.5
152.01167	10.5
152.04764	0.4
153.01563	0.5
153.14191	0.3
167.03514	33.5
168.03986	1.3
168.06677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49442	0.4
57.03429	1.4
59.01373	1.8
70.55386	0.5
70.58469	1.7
71.01381	3.7
72.99311	2.0
73.02941	0.9
75.00851	1.1
77.03961	0.7
85.02963	1.2
87.00890	4.1
89.02450	1.8
93.03476	4.2
93.05396	1.5
95.05046	3.0
101.02464	0.8
105.01949	2.8
106.04250	19.5
108.02186	4.4
119.05050	3.0
120.04532	0.6
121.02982	10.4
121.04904	2.3
121.06591	8.5
122.03708	0.8
123.04533	2.7
135.04568	0.7
137.02443	1.6
138.03239	2.0
147.04523	5.5
150.03235	3.4
151.00436	0.6
163.07622	0.6
165.01938	1.9
165.04030	2.3
165.05556	2.6
165.09215	100.0
166.05139	0.7
166.09601	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	167.0348
Annotation	Orsellinate
Peak:m/z	Relative Intensity
55.09018	0.4
55.45613	0.4
59.03008	0.4
61.98833	0.5
68.99825	1.2
71.54962	0.7
76.48610	0.4
80.02684	6.2
82.95431	0.9
91.01884	1.0
92.99842	0.6
95.01405	5.4
95.05051	0.7
97.02940	0.9
105.77811	0.4
108.02186	100.0
109.02447	2.6
111.00879	1.0
121.02999	0.5
123.00906	3.4
123.04535	43.5
123.08134	0.6
124.01700	0.7
124.04868	1.5
125.02467	1.0
132.86786	1.4
135.09865	0.4
137.02446	0.7
139.00398	0.6
139.04027	0.6
149.02496	0.5
152.01164	18.8
152.78290	0.5
153.00607	0.6
166.99818	1.3
167.03506	35.6
168.03877	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	165.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57761	0.3
57.03442	1.5
59.01387	3.2
67.33048	0.3
69.03454	0.5
70.25246	0.3
71.01385	2.0
71.54924	0.5
72.99308	1.1
73.02953	0.7
75.00880	1.2
77.03966	0.5
81.03424	0.5
81.28564	0.3
85.02973	0.9
87.00870	3.0
89.02460	1.2
91.05546	0.7
92.05062	0.7
93.03474	3.9
93.05396	1.1
95.05033	3.5
99.00900	0.4
101.02464	0.6
105.01939	2.5
106.04251	24.0
107.04520	0.5
108.02184	5.6
111.04561	0.4
119.05031	3.2
120.04570	0.5
121.02970	8.2
121.04906	3.3
121.06599	8.5
122.03736	0.6
123.04508	2.8
123.08182	0.4
135.04465	0.5
135.08151	0.4
137.02461	0.6
137.04404	0.6
138.03268	2.0
147.04546	3.8
147.07098	0.4
147.08147	2.3
149.06116	0.4
150.03226	2.2
164.89659	0.5
165.01971	0.8
165.04005	1.2
165.05540	2.2
165.09219	100.0
166.09560	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	165.0195
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
53.37012	0.4
55.09418	0.4
59.01384	2.5
67.01908	0.5
69.03468	0.4
69.74098	1.4
71.01383	2.8
73.02975	0.5
75.00881	1.2
77.03976	1.3
78.95146	0.3
85.02990	0.6
87.00876	2.1
89.02462	1.1
93.03483	3.7
101.02444	0.8
101.94234	0.4
105.01953	1.5
108.02219	0.4
109.02940	0.5
119.05021	0.5
121.02972	100.0
122.03278	3.5
123.00921	0.6
123.04543	0.4
137.02440	1.2
147.04539	0.4
149.00996	0.5
150.03233	3.0
165.01955	10.7
165.04092	1.4
165.05580	1.4
165.07693	0.6
165.09212	0.9
166.05171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0406
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
55.01880	1.0
57.03453	0.7
57.88553	0.3
59.01081	0.4
59.01383	7.7
70.40064	1.2
71.01389	7.4
72.99313	6.7
73.02964	3.1
75.00879	21.6
85.02985	0.7
85.32329	0.3
87.00883	100.0
88.01215	1.5
89.02451	2.3
99.00890	12.5
101.02452	2.9
105.01943	74.7
106.02301	0.8
117.01946	3.4
119.03477	0.5
128.95547	0.3
129.01961	1.5
135.02962	1.9
147.03008	6.9
153.31778	0.3
165.04056	43.9
166.04385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0719
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
54.47858	0.6
63.35700	0.5
66.86949	0.6
70.83595	1.0
72.00916	45.0
73.01238	0.7
79.43666	0.5
87.00880	1.6
91.05547	2.1
103.05528	6.6
103.06144	0.6
105.01963	1.0
109.80258	0.5
119.05043	2.1
121.02951	2.0
135.04565	0.6
147.04533	100.0
148.04887	3.3
164.07176	47.5
165.07515	1.7
176.84360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
54.71061	0.5
59.01396	1.6
64.75323	0.4
70.41302	1.6
71.01405	2.1
72.00915	36.7
75.00902	1.4
77.39944	0.4
77.50751	0.5
87.00878	2.6
89.02451	0.9
91.05537	3.3
93.03466	13.0
93.04028	0.9
94.03831	0.5
103.05537	4.9
105.01952	1.8
105.03493	0.9
108.02227	0.6
109.03005	1.0
119.05030	4.9
120.04597	0.8
120.05368	10.4
121.02966	10.7
121.06585	0.8
122.03682	0.6
123.00919	0.5
123.04569	0.6
135.04549	3.4
137.02464	1.5
145.02985	2.8
146.03732	5.9
147.04535	100.0
148.04906	3.5
149.02434	0.7
150.03233	5.0
163.04054	1.3
164.04799	7.1
164.07176	50.1
165.01944	1.4
165.04041	1.6
165.05571	1.4
165.07547	2.0
165.09232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07129	0.8
55.01877	2.7
57.03441	1.4
59.01387	6.3
61.96109	0.8
69.03461	1.2
69.83126	4.1
69.83408	1.3
71.01388	80.1
71.05016	1.4
72.01752	1.1
72.99318	1.5
73.02952	57.1
75.00874	1.1
76.80435	0.8
81.03477	3.8
83.01404	3.2
83.05029	2.7
85.02950	4.7
87.00881	40.9
87.04512	7.3
89.02454	13.1
99.00886	6.2
99.04533	8.8
99.05135	1.4
101.02449	13.3
102.03240	11.8
103.04028	2.0
117.05584	9.3
119.02665	1.8
119.03519	35.1
119.04950	7.3
121.15816	0.7
131.03462	1.3
145.05075	13.6
145.06152	1.2
157.19145	0.8
158.51701	0.9
162.89395	1.3
163.06134	100.0
164.06473	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	163.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80132	0.1
56.60056	0.1
64.03153	0.1
69.72115	0.6
70.64486	0.1
98.32201	0.2
105.03461	0.2
112.94112	0.2
119.05054	0.5
121.02953	1.8
122.03783	0.3
124.41535	0.1
147.04550	2.8
148.05319	100.0
149.05649	3.7
163.06291	0.2
163.07658	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	163.1124
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
59.01394	6.1
66.07413	1.1
70.10006	5.4
71.01373	4.6
83.90123	1.1
85.02954	5.6
87.00899	1.8
91.01914	1.5
92.01433	1.6
98.20602	1.2
101.02455	6.1
115.33659	1.2
119.03598	1.2
119.05038	24.4
123.86963	1.2
131.19582	1.3
131.95940	1.3
135.00867	1.5
141.36627	1.1
147.08165	1.5
163.00345	3.1
163.04025	1.7
163.06186	9.1
163.11301	100.0
164.11597	3.7
179.61038	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
50.20732	0.1
52.63713	0.1
59.01389	0.9
69.87193	0.1
70.03636	0.7
71.01392	0.9
72.00912	1.6
73.02946	0.3
85.02938	0.8
87.00877	0.5
91.01897	0.3
91.05544	0.8
93.03465	1.6
96.91273	0.1
101.02439	0.5
103.05533	0.2
113.02394	0.2
113.32741	0.2
117.03478	0.3
119.05039	100.0
120.04560	0.3
120.05359	3.2
135.04520	0.4
147.04536	4.0
148.01558	0.2
153.43680	0.2
155.64529	0.2
163.00375	0.7
163.04027	7.2
163.06113	1.8
163.07544	0.3
164.04495	0.2
164.07188	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	163.0615
Annotation	beta-L-Rhamnose
Peak:m/z	Relative Intensity
55.01879	3.0
57.03449	1.4
58.09545	1.0
59.01386	7.2
69.03461	2.8
69.25443	9.8
69.25831	2.3
71.01390	87.1
72.99325	1.9
73.02955	40.8
81.03462	3.8
83.01389	3.9
83.05018	1.4
85.02958	5.8
87.00887	42.9
87.04526	6.3
87.36364	1.1
89.02454	15.5
89.80721	1.2
93.03429	1.3
98.19918	1.7
99.00889	5.3
99.04530	4.0
101.02451	13.3
102.03242	14.4
103.04021	3.1
110.81496	1.2
117.05582	10.1
119.03526	32.7
119.04969	7.7
129.60173	1.0
131.03584	1.4
145.05066	10.6
163.06143	100.0
164.06528	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	161.0457
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01873	8.6
57.03455	45.4
58.00590	3.1
59.01384	67.6
62.04687	2.0
69.03457	8.6
69.67815	2.2
70.89179	5.3
71.01392	60.4
71.05029	50.0
72.99335	10.6
73.02953	41.0
75.00879	4.5
81.03475	5.7
83.01393	14.6
84.78996	2.1
85.02959	59.7
85.88696	2.1
86.98038	2.1
87.00884	90.7
87.04547	2.8
89.02448	6.0
95.01395	5.9
97.02950	13.0
99.00893	12.2
99.04534	90.0
101.02457	100.0
104.08208	2.6
113.02496	5.2
115.04041	11.0
115.07706	10.9
117.05610	15.7
125.02454	7.8
128.39198	1.9
131.03496	7.8
133.02977	7.8
143.03526	21.9
160.89243	2.4
161.02571	14.0
161.04568	83.9
161.08217	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	163.0404
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01377	0.5
59.05017	0.2
70.28555	1.0
71.01381	1.6
79.95744	0.3
80.43784	0.3
85.02955	0.6
87.00896	0.5
91.05585	0.3
93.03471	1.4
99.57974	0.2
101.02433	0.6
119.05041	100.0
120.05357	3.0
133.64577	0.3
135.00888	0.4
148.37677	0.3
162.83949	0.5
163.00377	0.8
163.04044	6.5
163.06143	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	159.0664
Annotation	3,3-Dimethylglutaric acid
Peak:m/z	Relative Intensity
57.03461	0.6
59.01377	0.9
68.99850	0.4
70.01263	1.2
71.01385	0.4
73.02973	0.8
81.15922	0.3
85.02953	0.6
87.00886	0.9
94.70523	0.3
97.06606	5.3
98.19971	0.4
99.00896	0.6
99.92512	0.4
101.02460	0.6
111.00932	0.4
112.01674	0.8
113.02540	0.3
115.07662	100.0
116.08015	3.3
116.92875	0.7
123.20712	0.3
129.01932	0.6
141.05592	6.8
159.03009	1.1
159.06644	27.6
159.10240	0.7
160.04144	0.3
160.07028	0.7
172.84108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01381	1.0
62.18880	0.2
63.25495	0.2
65.43658	0.2
68.99812	0.4
69.03461	0.7
71.01379	1.4
71.55177	0.3
72.99314	0.4
73.02958	1.4
74.04433	0.2
80.55256	0.2
83.01377	0.3
83.05040	0.4
85.02952	0.4
87.00872	0.9
94.95025	0.2
95.01351	0.2
97.02927	0.5
97.06605	4.7
99.00880	0.6
99.92587	0.6
101.02448	0.6
106.23960	0.2
111.00908	0.8
112.01661	0.5
113.02476	1.1
113.09743	0.3
114.94937	0.5
115.07663	100.0
116.05055	0.3
116.07993	2.4
116.92892	1.9
126.03238	0.2
128.67380	0.2
129.01947	0.6
131.03540	0.4
131.05038	0.2
132.02151	0.5
141.01984	0.3
141.05588	6.9
146.39838	0.2
159.03091	2.1
159.04477	0.8
159.06647	28.3
159.10239	0.8
159.38654	0.2
160.04066	0.3
160.06984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.046
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
55.01873	0.5
56.01421	0.3
57.03454	2.8
57.04568	0.4
58.02977	0.7
59.01376	0.4
69.03465	0.4
70.01950	1.1
71.01395	1.0
82.02987	0.5
83.01399	1.1
83.51324	0.2
84.04557	9.8
84.05064	0.5
85.02970	0.7
86.06126	90.3
87.05968	0.3
87.06439	1.9
96.04572	1.5
97.02957	0.7
99.00890	0.3
100.01701	0.3
110.06071	0.4
112.04059	100.0
113.04411	2.5
114.05622	19.1
115.05968	0.6
130.05104	0.5
140.07193	0.7
156.06671	0.6
158.04607	17.6
158.08237	13.1
158.09578	0.4
159.04932	0.6
178.48730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03450	1.2
57.04563	0.4
58.02986	2.1
69.03471	0.3
70.80795	0.8
71.01367	1.5
71.05027	0.6
73.02951	0.5
83.01414	0.4
84.04568	1.3
85.02959	0.5
86.06121	12.2
87.00876	0.5
93.48154	0.3
96.04549	2.5
96.08203	0.4
97.02966	1.1
97.04896	0.3
99.00841	0.4
105.77195	0.3
112.04057	12.6
112.07668	0.4
113.04385	0.5
114.05615	2.5
114.06336	0.4
114.09258	6.6
115.03974	0.3
116.07185	100.0
117.07523	2.5
130.67303	0.3
140.07191	0.5
141.01927	0.6
154.13654	0.3
156.06667	0.5
158.04620	2.4
158.08232	19.4
159.02991	0.6
159.08539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0667
Annotation	N-ACETYLPROLINE
Peak:m/z	Relative Intensity
57.04557	0.2
57.46085	0.2
66.03513	0.5
68.99817	0.4
69.03456	0.2
69.85609	1.1
82.99607	0.2
83.01416	0.2
83.05063	0.2
84.00902	0.3
84.04549	0.4
112.04098	0.3
112.04872	1.0
112.07750	0.2
113.06104	0.7
114.05618	100.0
115.05963	2.2
127.00433	0.2
133.91472	0.2
138.02823	0.5
156.06670	6.1
156.89447	0.2
157.05157	0.3
171.73668	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0773
Annotation	Nicotyrine
Peak:m/z	Relative Intensity
52.42793	0.4
57.03447	0.5
59.01396	0.7
63.13863	0.4
67.51987	0.5
69.62161	1.5
69.62588	1.4
71.01408	1.0
75.47884	0.5
76.42168	0.5
76.63358	0.5
84.99336	3.2
116.05074	4.5
127.00390	2.5
127.22569	0.4
128.05080	41.1
128.98322	0.5
129.05460	1.5
130.06641	78.9
131.06996	3.2
142.02783	1.0
144.04486	0.5
146.06129	0.8
156.06979	2.6
156.89499	0.7
157.07721	100.0
157.12357	1.9
157.30789	0.5
158.06142	0.9
158.08110	5.6
161.04918	0.6
172.04073	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	153.0195
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.92270	0.5
61.39431	0.6
62.56976	0.5
63.20782	0.5
64.31094	0.7
65.00333	4.1
65.03979	0.9
66.03474	1.1
67.01888	0.9
68.99808	2.2
69.03457	2.0
69.87336	2.7
72.99319	5.6
79.01931	0.6
81.03481	3.7
82.00600	2.7
82.02999	1.0
83.01396	3.0
84.99308	2.3
85.02919	0.6
87.08732	0.5
87.46995	0.5
92.04961	0.6
93.03473	1.1
95.01402	1.9
95.05025	1.5
96.99333	2.4
97.02958	2.4
107.01406	1.5
107.05038	1.1
108.02202	3.6
109.02966	29.9
109.06597	1.9
110.00107	100.0
111.00446	2.4
111.04563	0.6
122.03757	0.9
123.00882	1.7
123.04539	41.3
124.01643	1.1
124.04042	4.5
124.04890	1.4
124.98842	0.6
125.02476	11.4
125.99612	2.7
135.04526	1.8
135.95735	0.6
136.04083	1.8
136.07697	0.9
137.99603	44.6
138.03239	1.4
138.06859	0.6
139.00421	4.4
151.00398	2.2
153.01953	64.7
153.05560	9.1
153.09259	1.0
154.02341	2.1
154.05090	2.1
165.96178	0.6
167.15417	0.6
170.33928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1287
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
51.62528	1.4
55.01884	1.6
65.00321	3.4
66.03497	3.4
66.62830	1.2
67.01899	2.7
67.16197	1.5
68.99814	1.8
69.03452	4.7
70.22530	2.6
70.22878	3.8
71.01397	1.6
71.05032	2.7
72.99292	2.1
74.00810	1.2
81.03465	4.0
82.03004	3.2
83.01383	2.7
83.05033	1.8
85.02969	1.6
90.51771	1.4
95.01394	2.8
96.99339	1.3
97.06608	24.4
99.08166	9.9
107.05038	1.8
108.02208	12.7
109.02962	100.0
109.06599	3.3
110.00110	33.8
110.02518	1.9
110.03293	5.0
110.06174	1.3
123.00932	2.1
123.04550	8.1
124.04072	7.2
125.02465	9.2
125.09754	2.3
135.04495	1.8
136.04047	3.0
137.09741	2.3
137.99612	32.0
139.00186	1.1
140.65402	1.6
151.00371	2.0
151.11302	3.2
153.01956	44.1
153.05568	2.6
153.12862	86.9
153.86890	26.3
154.02394	2.7
154.05109	5.6
154.13199	3.9
165.67831	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	152.0356
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
50.85695	0.3
59.01393	0.3
66.03489	1.3
67.85271	0.2
68.36657	0.2
68.61681	0.2
69.03448	0.3
69.48911	1.9
70.35025	0.2
70.42087	0.2
72.01701	0.2
78.03501	1.3
81.03492	0.4
83.01394	0.3
90.02795	0.3
106.02996	0.8
107.03775	5.4
108.02197	1.7
108.04630	0.3
109.02961	7.4
110.00105	2.1
121.03013	0.6
122.02515	1.6
122.03751	31.2
123.03995	1.3
125.02473	0.7
134.02519	0.3
137.02010	0.6
137.99609	2.4
138.15276	0.2
147.75153	0.2
151.00319	0.3
152.03543	100.0
153.01965	2.6
153.03893	3.9
153.05212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.3
66.03493	1.6
71.01382	0.2
72.01733	0.3
81.03464	0.4
92.56724	0.2
95.01402	0.2
98.19882	0.5
108.02182	1.2
108.04574	0.4
109.02965	6.6
110.00098	1.9
110.02497	0.2
121.02987	1.2
122.03753	44.0
123.04015	1.3
124.03978	0.2
124.79367	0.2
125.02467	0.6
131.87387	0.2
137.02031	0.6
137.99614	2.1
141.30534	0.2
152.03549	100.0
153.01990	2.2
153.03897	3.6
168.93567	0.2
169.03728	0.2
170.10493	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06140	1.0
57.15911	0.8
58.08085	0.9
59.01371	5.6
69.03468	2.4
71.01388	34.2
71.09915	2.2
73.02956	21.8
86.09396	0.8
87.00893	11.5
89.02452	100.0
90.02773	2.0
101.02419	1.7
103.04000	4.7
105.65456	0.8
111.29301	1.0
131.03525	8.7
131.74252	1.0
137.26990	1.1
149.04559	31.5
149.05721	1.9
150.04842	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	151.0403
Annotation	Vanillin
Peak:m/z	Relative Intensity
53.87612	0.2
55.01902	0.2
59.01385	1.5
63.90545	0.2
64.47791	0.1
65.00330	1.7
67.01884	0.2
69.03474	0.4
69.22411	1.6
69.22742	0.3
71.01389	2.2
72.45067	0.2
73.02946	0.8
79.01891	0.3
79.27660	0.2
83.01402	0.8
85.02950	0.3
89.02453	0.9
92.02699	0.3
95.01405	1.1
98.19939	0.3
101.02470	1.4
107.01399	1.1
107.05035	0.8
108.02186	6.4
108.02927	0.3
109.03035	0.3
117.01910	0.2
122.03792	0.2
123.00880	0.3
123.04507	0.3
136.01672	100.0
137.02010	3.7
151.00368	0.3
151.04016	8.8
151.06087	0.6
152.03452	0.2
152.07210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0403
Annotation	Vanillin
Peak:m/z	Relative Intensity
55.93191	0.4
59.01388	5.3
60.73426	0.4
63.02394	0.7
66.03500	1.5
68.99837	0.7
69.03471	0.5
69.94026	1.3
69.94435	0.8
71.01387	9.7
72.99324	0.6
73.02960	1.9
82.00604	0.7
83.01421	1.1
85.02982	0.6
89.02457	4.9
91.01923	1.7
92.02684	4.6
95.01400	16.5
96.01730	0.5
97.02958	0.6
98.20616	0.4
101.02440	5.0
106.00620	0.5
107.01402	0.5
107.05045	1.2
108.01467	0.9
108.02187	16.1
108.04539	0.4
108.74966	0.4
109.02443	0.4
119.01421	1.3
121.02951	1.0
122.03751	0.4
123.00915	2.7
123.04540	2.0
133.05092	0.4
136.01675	85.4
137.02011	2.9
151.04022	100.0
151.06079	3.3
152.04462	3.4
159.38283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	L-xylulose
Peak:m/z	Relative Intensity
51.77077	0.3
55.96441	0.3
59.01159	0.4
59.01388	4.5
59.93860	0.4
69.03461	3.0
69.89299	1.8
71.01389	31.5
72.01723	0.9
73.02952	21.0
74.03289	0.4
75.00891	0.3
78.04194	0.4
81.01411	0.4
85.02977	0.9
87.00892	11.1
87.79759	0.4
89.02453	100.0
90.02773	2.3
101.02439	1.6
103.04035	5.4
131.03514	9.8
132.03844	0.7
149.04575	29.9
150.04939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31368	0.7
59.01384	5.3
69.03465	3.1
70.82679	1.1
70.83005	0.9
71.01388	34.7
72.01736	0.8
73.02955	22.5
73.03366	1.4
82.55849	0.6
82.70087	0.5
84.55504	0.6
87.00887	12.5
87.94862	0.6
89.02454	100.0
90.02800	1.6
90.79431	0.6
101.02470	1.3
103.04010	5.7
106.80655	0.6
118.30441	0.6
131.03510	10.3
132.03847	1.1
149.04568	31.0
150.04875	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	149.0457
Annotation	L-xylulose
Peak:m/z	Relative Intensity
58.53247	1.1
59.01389	6.6
63.35031	1.1
69.03482	2.1
70.70461	1.0
70.70760	1.6
71.01385	29.2
72.99244	0.9
73.02955	21.1
73.49620	1.2
76.32331	0.9
85.02975	1.3
87.00886	12.2
89.02454	100.0
90.02802	2.0
103.04020	4.0
131.03520	10.7
149.04567	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	25.4
71.26530	10.3
71.26868	5.9
72.99307	5.0
74.63767	4.7
85.02946	10.3
99.00909	8.7
102.17537	4.3
103.04039	5.9
115.00343	6.5
117.03468	14.3
118.03035	6.2
119.05050	6.0
133.24802	4.8
145.02931	37.5
146.02582	9.3
146.03740	100.0
147.04251	9.2
156.10210	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	147.0301
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
51.14345	5.1
54.00795	5.3
55.01887	5.1
57.03460	10.5
59.01381	28.1
61.88231	4.3
63.81443	4.8
67.73676	4.6
68.99827	7.2
69.17523	49.0
71.01389	100.0
72.77460	4.5
72.99315	7.7
73.02968	5.3
75.00878	15.3
85.02953	44.5
99.00877	31.5
101.02443	12.1
103.03998	6.9
114.08654	4.5
115.00419	10.2
119.04994	4.4
125.02738	4.8
147.01993	14.8
147.03050	6.3
147.04532	33.6
147.06616	20.2
148.04102	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	148.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87823	1.2
69.95645	6.6
73.80510	1.4
89.02448	2.0
90.12682	1.3
91.05521	3.8
93.03470	5.1
94.71725	1.3
99.38068	1.5
103.05569	2.8
105.03474	4.5
119.05056	6.8
121.02975	31.1
147.04539	29.7
147.83134	1.5
148.05321	100.0
149.05664	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.3
58.35107	1.9
59.01367	4.5
70.08521	8.4
71.01397	13.0
71.05030	4.9
72.00937	3.1
73.02960	9.1
73.05473	1.9
77.50777	2.2
80.05066	17.5
82.03000	5.1
82.06583	3.5
83.01389	3.6
83.05041	2.9
87.00882	5.1
92.02691	1.7
96.04559	10.2
98.06097	9.3
99.04540	2.3
100.04045	2.9
113.80537	2.0
124.04075	4.3
126.05650	3.5
142.05107	59.1
142.06194	3.8
144.03058	2.6
144.06686	100.0
145.06989	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	144.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48598	1.2
55.01877	1.7
55.65127	1.4
56.95924	1.2
57.03423	1.9
57.66129	1.1
58.02972	5.2
59.01387	4.0
60.11484	1.4
62.17556	1.2
64.77322	1.2
71.01385	24.1
71.05038	6.8
72.00916	3.6
72.99311	4.1
73.02953	6.0
76.37512	1.3
78.54516	1.2
80.05059	20.7
81.03455	2.2
82.02988	2.6
82.06637	3.3
83.01379	3.2
83.05052	4.7
84.04552	1.9
85.02950	1.3
86.56098	1.2
87.00887	10.0
88.04041	1.9
93.21609	1.1
96.04563	9.6
98.06123	10.3
99.00897	2.7
99.04548	4.3
100.00420	1.6
100.04060	3.7
100.07687	4.4
100.08674	1.3
101.06083	2.0
102.05625	7.3
115.00411	7.7
124.04036	4.6
126.05595	6.4
127.00362	3.3
128.07137	1.5
138.31937	1.6
142.03999	2.9
142.05112	55.0
143.05505	2.7
144.00218	1.2
144.02986	1.9
144.04684	16.8
144.06679	100.0
144.96484	37.5
145.01433	3.5
145.03001	2.0
145.04044	8.0
145.05055	2.8
145.06992	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75924	2.1
53.00313	22.8
55.01880	4.3
58.00594	2.4
58.02987	3.7
58.34872	2.1
59.01370	9.1
61.12789	2.3
64.33390	2.3
65.23355	2.5
67.01881	7.1
68.99812	7.2
69.83276	9.5
71.01392	55.2
71.05035	8.1
72.04593	2.2
73.02950	7.1
74.58028	2.3
80.05076	20.2
80.99846	6.8
81.03487	2.7
82.06631	4.8
83.01364	3.0
85.02956	8.1
87.00932	11.3
96.04553	11.5
96.99320	23.1
98.06120	9.7
99.04527	9.8
100.04071	5.5
102.05613	4.1
106.14821	2.3
111.00901	10.7
112.98830	32.8
115.00370	7.7
115.04031	2.8
124.04063	3.5
124.98817	65.3
125.02439	3.9
126.05571	5.1
140.98322	10.4
142.05109	60.0
142.99873	87.8
143.03473	4.3
144.06677	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	26.1
59.01378	7.9
63.41224	3.6
68.46685	3.4
68.99817	6.0
70.93710	10.0
71.01394	56.7
79.65850	3.6
80.99799	6.3
87.00900	12.4
96.99324	35.6
112.98826	35.1
115.00359	6.5
124.98814	79.5
140.98303	15.6
142.05103	8.8
142.99872	100.0
144.06696	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	24.4
59.01374	12.1
66.71434	3.7
68.99829	4.6
70.51674	12.8
71.01384	52.4
78.95272	3.6
80.99818	7.1
87.00871	16.4
93.77989	4.1
96.99316	37.2
106.26255	3.4
111.00852	7.7
112.98824	41.1
115.00417	6.0
124.98820	87.5
133.11218	3.5
140.98280	17.5
142.05075	5.7
142.99879	100.0
144.06644	16.8
152.50217	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	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
63.27966	0.3
69.92683	1.3
79.95728	0.3
94.03799	0.7
95.01402	0.5
107.24409	0.3
108.02185	76.4
108.70759	0.3
109.02515	3.3
111.00861	0.8
123.03285	0.4
130.17305	0.3
138.01982	100.0
139.00436	0.4
139.02335	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	138.0563
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
63.29665	1.1
67.01888	3.0
71.27608	2.0
71.70045	0.9
79.95731	1.4
83.01393	2.0
93.03466	2.2
94.02971	1.2
94.03815	5.5
95.05019	3.9
101.85614	1.1
107.04526	1.1
108.02194	5.4
109.02477	1.3
110.06159	0.9
111.00881	12.4
120.04576	1.4
120.05370	1.4
123.03279	100.0
124.01672	1.7
124.03608	3.2
126.49151	0.9
138.01961	8.8
138.02779	2.4
138.05617	75.7
139.00365	9.7
139.03970	1.5
139.05981	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	142.0665
Annotation	1-Naphthylamine
Peak:m/z	Relative Intensity
53.36559	0.3
59.01369	0.4
61.04599	0.4
61.36598	0.4
66.83196	0.4
68.28944	0.3
69.93533	1.7
70.99622	0.5
71.01389	2.0
71.05009	0.8
81.03487	0.5
85.02942	0.9
87.04494	0.3
97.02959	0.6
99.04540	0.5
116.05083	3.1
125.02498	0.6
140.05092	0.9
142.06633	100.0
143.03513	0.5
143.06989	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	137.061
Annotation	SCHEMBL9698637
Peak:m/z	Relative Intensity
57.03432	0.9
58.23083	0.9
64.68468	1.0
65.00320	1.1
65.03973	1.9
66.03493	1.1
72.06743	0.8
74.99100	1.3
79.49726	0.8
81.03458	4.7
85.73047	0.9
93.03468	84.8
94.02992	21.6
94.03786	2.5
95.05025	1.1
106.04256	28.6
107.05080	9.2
108.02194	11.1
108.05361	1.0
109.02965	3.0
119.05036	37.8
120.05402	1.9
122.03709	1.4
123.03274	11.9
127.04038	3.2
135.04520	3.8
136.01706	2.2
137.02477	25.2
137.03531	2.1
137.06097	100.0
138.01971	3.2
138.03194	2.7
138.05597	8.7
138.06479	3.7
159.66144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.061
Annotation	2-(4-Hydroxyphenyl)ethanol
Peak:m/z	Relative Intensity
60.44271	0.8
63.63790	0.7
64.86160	0.6
69.46950	1.8
69.47363	3.5
78.88108	0.7
81.03462	3.3
93.03468	24.9
98.20608	1.2
106.04250	29.9
107.05060	11.4
108.02177	6.4
109.02979	0.9
119.05036	38.2
120.05360	1.6
123.03285	2.2
135.04555	2.8
136.95026	0.8
137.02527	6.6
137.06096	100.0
138.01923	0.7
138.03253	2.3
138.05527	1.7
138.06447	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01887	1.6
57.93726	0.9
64.32936	0.7
67.01896	5.0
68.99816	1.3
69.20666	4.3
69.21081	3.1
75.32031	0.8
79.95749	0.7
82.03017	0.8
83.01398	2.1
93.03472	1.9
94.02998	2.0
94.03796	6.4
94.98137	1.3
95.01396	1.3
95.05038	1.3
98.20581	2.1
102.34493	0.8
108.02181	71.4
109.02494	2.9
110.00126	0.8
110.02474	1.8
111.00891	18.8
123.00897	1.2
123.03272	17.9
124.01669	2.4
134.19080	0.7
138.01978	100.0
138.05597	21.3
138.06651	1.2
139.00385	11.9
139.02304	3.3
139.03987	1.7
139.05959	0.9
155.48843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.75932	0.2
65.03967	1.5
66.73074	0.2
68.85116	0.2
71.54572	0.4
78.96070	0.2
91.01917	0.8
93.03467	100.0
94.03798	4.5
108.02179	3.8
135.00914	0.7
136.01666	0.3
136.89201	0.3
137.02458	16.7
138.01939	3.6
138.02840	0.7
139.22583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0247
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
59.27837	0.4
59.80636	0.4
65.03964	1.6
70.83700	0.7
70.84009	0.4
81.03460	3.0
90.37178	0.4
91.01883	1.0
93.03466	44.8
94.03813	1.7
100.25288	0.4
107.05029	0.4
108.02182	6.1
108.16238	0.4
109.02950	4.0
119.01400	1.3
119.05025	1.0
121.97144	0.5
123.03256	1.3
136.01671	11.4
136.89226	0.7
137.02458	100.0
137.06017	2.2
138.01956	0.5
138.02818	4.6
138.05576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75758	0.2
63.14196	0.2
65.03973	1.5
74.50454	0.2
79.34305	0.3
81.03465	0.2
93.03470	100.0
94.03086	0.3
94.03794	4.6
95.05103	0.2
98.19845	0.4
108.02185	11.9
109.02969	0.5
110.51384	0.2
115.70851	0.2
123.03279	1.5
136.01646	0.3
137.02463	14.8
137.06068	0.4
138.01979	16.1
138.02782	0.7
138.05621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0168
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
53.41555	0.5
59.47800	0.6
65.03986	1.2
67.01884	0.8
67.85316	0.6
69.03487	0.7
69.51187	1.3
69.51604	2.2
81.02221	0.5
81.03471	0.8
92.02676	0.4
92.05061	5.0
93.03468	100.0
93.17918	0.5
94.02946	0.5
94.03806	1.9
95.01401	4.6
95.07060	0.5
108.02185	31.9
109.02494	1.7
116.18684	0.5
136.01672	25.8
136.03981	1.1
136.04898	5.7
136.07686	0.6
137.02467	19.8
145.65323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0406
Annotation	salicylamide
Peak:m/z	Relative Intensity
60.32471	1.1
65.03994	1.3
69.90460	4.7
70.13755	1.0
81.03471	1.3
91.01907	20.9
93.03469	100.0
94.03797	2.5
94.98666	1.4
108.02180	3.6
108.04582	2.0
109.02961	3.3
118.03006	65.4
119.03331	3.9
122.03754	2.0
134.07385	1.2
136.01701	4.8
136.04054	72.6
136.04898	2.7
136.86250	1.5
136.89209	3.8
136.90295	1.1
137.01465	2.0
137.02467	25.6
137.03519	1.3
137.04408	2.6
145.05385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0407
Annotation	4-Nitrotoluene
Peak:m/z	Relative Intensity
53.68327	1.1
58.71335	0.9
62.04549	0.8
64.01923	5.5
65.00325	1.0
65.03962	3.2
70.65508	1.2
70.65831	1.6
72.51336	0.8
81.03453	1.8
92.05064	6.4
92.76642	1.0
93.03469	71.5
94.02988	1.9
106.04260	4.3
107.05034	3.9
108.02184	6.5
108.04561	2.9
109.02988	5.7
119.01363	1.1
119.05035	7.2
125.11469	0.9
131.69734	0.9
135.00883	1.1
135.89453	2.3
136.01814	6.5
136.04048	100.0
136.04886	5.0
136.89204	5.6
137.02466	41.9
137.04398	5.8
137.06084	17.0
137.07040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.27179	0.5
57.77342	0.5
65.03956	1.8
66.12602	0.5
71.23652	0.7
72.90733	0.5
81.03471	3.9
91.01897	1.3
93.03468	98.1
94.03797	4.6
95.01422	0.6
106.04259	1.0
108.01491	0.7
108.02181	8.2
109.02997	4.2
111.02286	0.5
112.69963	0.5
119.01395	1.3
119.05030	1.5
122.03777	1.2
123.00879	0.5
123.03264	1.3
136.01674	12.1
136.89246	1.4
137.02458	100.0
137.06088	3.6
137.07222	2.8
138.01883	1.0
138.02841	4.3
138.05605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0509
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
57.03445	1.3
59.01385	4.8
62.64677	0.6
69.72637	1.1
69.73032	1.7
71.01390	100.0
72.01723	1.7
72.99322	12.0
85.02919	0.7
87.00346	1.5
87.00883	28.3
87.04528	6.4
88.01226	1.2
89.02454	10.0
92.29263	0.7
115.00388	52.0
116.00735	1.9
116.26301	0.6
131.70866	0.7
133.01443	12.3
133.05078	30.8
134.04674	1.5
134.05534	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	133.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25447	0.6
54.30492	0.6
59.01386	3.5
65.01443	1.5
69.83937	1.1
69.84346	2.1
71.01387	74.1
72.01714	1.5
72.99315	7.5
82.99828	0.6
87.00883	22.0
87.04530	4.4
89.02451	7.0
92.02554	10.1
105.35533	0.6
107.03642	35.5
115.00378	43.2
116.00745	1.4
118.70948	0.6
133.01439	9.5
133.05078	22.9
134.04736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46325	0.3
59.01383	0.7
65.01453	1.3
68.02543	0.8
70.03356	1.4
70.03748	0.7
71.01384	0.9
72.01720	0.3
75.00880	1.0
78.94764	0.3
80.02579	0.4
85.02955	1.0
92.02559	10.0
96.34464	0.3
98.16991	0.3
98.20517	0.4
107.03648	39.9
108.04012	1.0
111.78632	0.3
117.25835	0.3
117.75378	0.4
122.98691	0.3
134.04742	100.0
135.03041	0.5
135.03551	0.4
135.04388	1.5
135.05113	2.3
135.26974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
52.87327	0.8
59.67914	0.8
63.30451	0.9
69.83566	4.7
69.83851	1.4
71.01388	79.8
72.01722	2.2
72.99315	19.9
87.00877	1.6
89.02442	8.9
93.20422	0.8
98.19905	1.1
98.25299	0.9
106.05608	0.9
115.00384	100.0
116.00719	3.4
131.19460	0.7
133.01447	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	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39377	1.0
59.01377	2.5
70.80292	1.1
70.80637	2.4
71.01389	96.3
72.01729	1.9
72.99314	20.2
73.58370	1.2
85.76802	1.2
87.00887	6.6
87.04564	1.3
87.49323	1.0
89.02453	9.1
98.19861	1.3
115.00386	100.0
116.00695	2.5
122.41452	1.0
133.01443	20.9
133.05069	7.0
137.91959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
53.13392	4.9
55.01877	13.7
57.03463	34.2
67.01899	79.8
68.02216	4.9
68.99825	8.6
71.01387	12.5
71.19517	10.7
83.01399	6.4
84.32753	4.4
85.02951	18.6
88.04075	4.9
101.02478	4.6
128.90193	10.2
129.01959	15.4
130.08757	100.0
130.72815	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	129.0196
Annotation	Mesaconate
Peak:m/z	Relative Intensity
55.01881	12.9
57.03460	43.2
58.02966	7.0
59.01375	8.3
67.01897	92.7
68.99805	11.7
69.63817	21.2
69.64230	7.4
71.01401	5.5
72.99311	10.8
73.02962	7.8
74.86422	5.1
79.22499	4.4
85.02960	100.0
88.04057	41.4
128.94160	5.1
129.01947	27.1
129.05579	17.2
130.08781	35.8
141.92784	6.0
147.87892	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	130.0875
Annotation	Isoleucine
Peak:m/z	Relative Intensity
67.90144	0.8
69.56786	0.8
70.40180	3.3
71.01387	1.6
73.02957	3.9
85.02981	1.0
87.04548	2.0
121.19109	0.9
130.08752	100.0
131.09067	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	132.0305
Annotation	Aspartate
Peak:m/z	Relative Intensity
59.01375	2.5
71.01390	58.2
71.54261	1.1
72.00907	2.9
72.01740	1.4
72.99329	6.4
73.02967	1.9
79.14146	0.9
85.02924	1.0
87.00882	8.3
87.04533	2.2
88.04052	100.0
89.02448	3.9
89.04393	2.2
95.24738	0.9
105.03482	2.0
105.14862	0.9
111.48810	1.0
114.02028	5.1
115.00387	54.1
116.00748	1.4
122.60838	1.0
132.02173	1.4
132.03053	17.0
132.86807	1.6
132.90071	1.2
133.01469	5.5
133.02972	3.1
133.05092	6.9
133.06645	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01368	2.3
69.43120	2.6
69.43538	3.0
71.01389	87.0
72.01728	1.9
72.94154	0.7
72.99315	19.0
74.14194	0.8
77.03981	0.9
87.00889	3.3
89.02452	9.0
101.39338	0.8
105.03450	0.9
107.03612	1.0
115.00384	100.0
116.00710	2.9
129.68039	0.7
133.01451	22.1
133.02509	1.1
133.02962	1.5
133.05092	1.5
133.06616	1.1
134.04753	3.2
134.51711	0.8
147.54836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
59.89599	2.8
70.85252	4.2
70.85596	4.5
88.10895	3.1
93.03458	6.3
98.94379	2.5
111.76812	2.7
121.02966	100.0
122.02481	3.2
122.03307	5.5
137.72240	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	129.0196
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
50.26371	5.5
51.43610	4.9
55.01870	15.4
55.37745	5.4
57.03454	49.4
57.21218	5.3
59.01377	10.4
60.02272	5.6
60.80928	5.6
64.58452	5.9
67.01894	100.0
68.40299	5.8
68.99813	20.4
70.19340	24.4
71.01376	21.9
71.26659	5.2
72.99310	9.6
73.02946	8.4
79.46345	5.6
80.41176	6.0
83.01391	12.9
83.04996	8.4
85.02956	37.0
87.00888	7.2
88.04065	9.9
98.20033	7.1
111.00938	6.8
123.02101	7.9
129.01962	36.3
129.05571	12.0
130.08762	29.0
146.75156	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	1191.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	1.7
85.02962	1.4
87.00872	0.7
89.02457	1.0
89.03970	0.5
91.01917	0.4
92.87355	0.2
93.03462	0.3
95.01392	0.4
96.96020	0.6
99.00885	0.4
101.02454	3.7
105.03474	0.2
107.05061	0.6
108.02174	1.2
109.02982	1.9
113.02457	1.8
115.00350	0.2
115.05512	0.2
115.97807	0.2
117.03486	0.7
119.03527	0.3
119.05054	0.2
121.02969	1.4
123.00877	0.3
123.04539	0.3
128.89255	0.2
131.05063	0.2
132.02226	0.2
133.02971	7.4
135.00917	0.2
135.04547	0.5
136.01654	0.2
137.02454	1.1
141.07155	0.5
143.05011	0.3
145.02982	1.7
146.03633	0.2
147.04536	0.2
149.02419	0.5
157.06593	2.4
159.04539	1.1
161.02452	18.4
161.04616	0.5
162.02898	0.9
163.00366	0.7
164.65622	0.2
167.05017	0.3
167.08672	0.3
169.06572	0.2
171.04518	0.3
172.05255	0.2
173.02438	0.3
173.06053	0.5
174.03252	0.5
174.06860	0.9
175.02573	0.3
175.04013	0.6
175.07675	1.9
176.01181	0.2
176.04790	3.8
177.01933	0.4
177.05313	0.3
178.02513	0.3
179.03539	0.2
181.06653	0.4
183.04509	0.3
183.08229	0.5
184.05251	0.4
185.06090	1.7
186.06908	0.3
187.00385	0.4
187.03940	1.1
187.07564	0.5
190.02563	0.2
190.06337	0.3
191.07173	0.2
193.06580	0.3
195.04568	0.6
196.05327	0.7
197.06064	0.5
198.03172	0.5
198.06790	0.2
199.03951	0.4
199.07642	0.2
200.04913	0.3
201.05580	3.4
202.06288	1.1
203.07124	0.2
209.06097	1.6
210.06863	1.0
211.04007	1.2
211.07610	2.1
212.04752	0.5
213.05579	1.8
213.09235	0.4
214.06152	0.2
215.07072	0.5
216.04250	0.2
217.05096	0.2
219.06610	0.3
224.04771	0.4
225.05550	0.8
226.06339	0.4
227.03581	0.3
227.07097	1.0
229.05246	0.3
229.96458	0.2
236.04695	0.2
237.05542	1.2
239.03545	1.2
239.07158	1.1
240.04285	2.7
240.07967	0.5
241.04971	0.7
249.09401	0.2
253.05031	1.8
254.05855	11.6
255.03050	0.4
255.06621	11.2
256.06943	0.8
265.05032	0.3
268.03763	2.7
269.04147	0.3
270.05371	0.9
281.04572	0.7
282.05212	0.5
283.06128	65.2
284.03519	0.3
284.06424	4.7
285.04187	0.2
285.07568	1.2
291.10315	0.5
293.08768	0.2
307.09695	1.0
308.03204	0.3
312.02557	0.2
314.07642	0.2
317.08340	0.3
319.09698	1.5
323.05765	0.6
327.05026	1.4
334.12137	0.4
335.05621	0.3
335.09161	1.7
336.09927	0.2
337.07120	0.6
338.07907	0.6
339.08423	0.3
345.07538	0.7
349.10733	0.6
349.14600	0.2
351.08530	0.3
353.10373	0.8
354.10834	0.2
363.08752	10.8
364.09119	0.8
365.10370	0.3
377.10233	0.9
378.11075	6.2
379.11838	0.9
381.09775	0.8
391.11957	0.4
393.13449	32.0
394.09186	0.2
394.13861	2.8
395.14960	0.7
396.12170	0.6
409.13031	0.5
410.13293	0.4
411.14609	2.3
412.14655	0.2
415.10687	0.3
489.14240	0.6
525.13715	0.4
531.19373	0.2
543.15125	0.3
553.17603	0.3
554.17255	0.3
555.18774	5.0
556.19110	0.6
573.19794	2.9
574.20215	0.4
585.15979	1.2
600.18732	0.5
613.19189	3.9
614.19531	2.3
615.20825	100.0
616.21143	13.3
719.22296	0.5
1191.46375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02972	0.5
85.02943	0.5
87.39542	0.3
94.02998	6.3
94.06626	1.1
98.19944	0.7
100.22458	0.3
101.02485	0.3
104.05065	1.2
106.06644	1.6
107.03776	3.2
108.04583	1.5
115.00393	0.4
120.04554	0.9
121.05351	0.8
122.06136	16.8
123.06510	0.4
124.04041	1.0
132.04558	1.2
134.06145	4.3
136.04042	1.7
136.07678	0.5
137.04796	0.4
138.05630	3.5
139.02783	1.0
146.06056	0.6
147.05589	0.8
148.04066	1.2
149.76324	0.4
150.05615	3.5
152.07185	27.9
153.07523	1.1
158.02466	0.3
159.74174	0.3
160.04053	0.8
161.03604	0.3
161.04771	0.7
162.05498	0.4
166.05113	0.3
168.06607	0.3
169.15439	0.3
172.11282	0.5
174.05589	1.8
175.02605	0.4
175.05136	0.9
176.03424	0.3
180.06676	0.7
186.05646	0.6
186.12865	0.5
187.08867	0.3
188.07173	1.7
190.05121	1.9
201.10318	3.8
210.07986	0.7
211.08737	1.1
212.10995	0.4
213.10336	2.8
213.38594	0.3
215.08321	0.4
215.11848	0.5
223.08739	0.7
223.12480	0.4
224.09552	1.0
225.10301	2.3
226.11093	0.3
227.08118	0.5
227.11877	2.7
229.09883	4.5
229.13431	1.9
235.08659	0.6
237.10368	2.3
238.10942	0.4
239.08194	0.6
239.11934	4.3
241.09883	0.8
243.11455	0.5
245.12961	6.6
247.10910	0.7
248.09558	0.4
249.06749	0.7
249.10257	0.9
250.07414	2.1
251.08179	1.5
251.11925	1.0
252.08969	0.8
253.09796	2.4
255.11389	3.1
257.12888	1.9
259.10779	0.9
263.08258	1.1
264.09033	0.7
265.06424	0.6
265.09824	4.1
266.10428	1.2
267.11374	3.2
268.11774	0.4
269.12952	0.6
273.12402	2.5
276.08908	0.4
277.06732	0.4
277.09833	2.2
278.07010	2.5
278.10571	1.6
279.07767	3.2
279.11307	1.6
280.11972	0.9
281.09439	0.4
281.13016	0.5
285.12448	0.5
289.11966	1.3
291.07858	1.1
291.11374	0.8
292.08435	0.7
293.09369	10.6
294.10028	3.0
295.10858	5.4
297.12418	0.8
301.11951	6.6
302.12344	0.5
305.09402	0.5
306.06827	0.4
306.10071	1.3
307.10876	2.4
309.12430	2.6
313.12003	2.9
318.12402	0.4
319.13004	24.9
320.13483	1.5
321.08755	0.5
321.12360	0.5
323.10361	3.4
325.12009	1.6
326.12564	0.6
327.13522	2.8
330.12625	0.7
331.13574	0.5
332.14059	1.0
337.08331	7.1
338.08963	1.2
339.09750	1.7
339.13733	0.8
340.10699	0.6
341.11667	0.5
343.13760	0.4
344.10208	0.7
344.13989	1.0
345.15042	0.4
346.15680	0.5
351.09790	0.9
355.13165	1.2
356.13943	0.8
358.11914	0.8
359.12909	1.0
360.13510	0.6
365.17221	0.4
366.18793	0.4
371.12549	0.5
372.13388	1.3
372.17459	0.6
373.14261	0.8
374.15048	6.3
375.15591	0.5
384.13177	0.7
386.15378	1.4
388.16760	1.0
389.17331	0.3
390.18527	0.5
391.15393	1.2
392.16107	5.6
393.16400	0.9
398.14896	0.9
400.12683	0.6
402.14175	0.7
402.18661	0.5
404.16003	0.5
415.19235	0.4
416.16147	5.0
417.16705	1.2
418.18100	0.6
428.16071	1.9
430.13721	0.6
431.18460	0.8
432.19324	1.2
433.16272	0.6
434.17175	3.9
435.17615	0.6
440.16226	0.6
442.17566	0.6
443.18335	0.4
444.15680	1.1
446.16888	2.0
458.17349	1.2
459.17908	4.2
460.18832	4.1
462.16809	1.1
463.17410	1.2
471.24084	0.4
474.20718	2.1
475.17880	0.5
476.18179	2.6
477.19260	0.8
478.20340	0.5
486.16916	2.5
487.17465	0.8
492.21362	0.5
503.16974	5.8
504.17783	13.3
505.17978	1.7
511.23566	0.5
513.25415	0.5
518.19366	4.1
531.26251	1.6
535.19824	0.4
536.20453	0.5
539.22986	2.4
540.23724	0.5
545.05792	0.3
550.22034	7.2
551.22382	0.8
553.24652	0.6
557.24200	2.7
558.24670	1.0
571.25549	1.1
581.24176	2.2
583.22241	1.8
599.25171	11.1
600.25507	1.0
602.23596	0.4
615.24725	5.3
616.24945	0.9
625.23108	1.5
631.27698	2.5
643.24115	19.5
644.24487	1.8
647.27124	4.7
648.26855	0.5
657.25739	4.7
658.26086	0.7
675.26721	100.0
676.27039	11.9
676.38538	0.7
677.27380	0.4
689.28235	6.3
690.28784	0.6
707.29358	96.2
708.29633	13.3
709.30133	0.6
994.39996	0.3
1183.42786	3.1
1184.42444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01870	0.6
59.01375	1.2
60.50079	0.5
71.01079	0.9
71.01421	0.8
71.05035	2.5
73.02953	100.0
74.03278	2.2
84.24014	0.4
87.00889	0.5
90.22038	0.4
99.00889	9.2
99.92613	2.5
99.93193	0.5
116.92874	6.8
117.01957	13.3
117.05589	0.9
117.92872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0507
Annotation	3H-Indole
Peak:m/z	Relative Intensity
72.04531	0.6
73.02953	11.3
73.16749	0.6
74.02487	5.9
82.10844	0.5
83.03615	0.5
98.20668	1.4
99.00863	0.9
99.92593	16.7
116.05077	100.0
116.07225	2.0
116.92873	46.3
117.01976	1.3
117.05416	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	116.0719
Annotation	L-Valine
Peak:m/z	Relative Intensity
51.65082	1.0
54.53495	0.7
59.01385	3.8
70.43748	1.9
70.44076	0.9
71.01388	3.2
71.05029	15.0
72.01717	1.7
73.02955	69.5
74.02489	1.0
99.00892	6.2
99.04528	1.0
99.92590	36.3
116.02536	1.1
116.07191	59.7
116.92870	100.0
117.01942	6.4
117.05618	4.3
117.07536	3.2
132.64879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0403
Annotation	LEVULINIC ACID
Peak:m/z	Relative Intensity
59.01389	21.0
67.97672	4.3
69.48804	30.1
71.01381	47.2
71.05025	39.7
73.02946	5.8
74.02477	11.4
97.02982	7.5
97.93139	7.4
114.93403	18.7
115.00385	9.5
115.04038	32.4
115.05949	13.9
116.02570	4.8
116.07177	100.0
124.46222	4.4
129.87465	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	1151.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04596	0.2
80.05057	3.1
90.03442	0.2
94.03004	1.7
94.06619	1.0
104.05069	1.2
106.06635	1.4
107.03770	2.1
108.04566	1.0
108.08195	0.4
108.71854	0.2
120.04569	0.4
120.08179	0.2
121.05306	0.2
122.06130	10.9
123.06514	0.4
124.07710	0.6
130.06616	0.5
132.04549	0.6
134.03769	0.4
134.05298	0.3
134.06137	5.3
136.04033	0.3
136.07697	1.6
137.07973	0.2
138.05635	0.3
139.02771	0.8
146.06137	1.5
147.03275	0.3
148.04037	1.2
148.07724	0.4
150.05591	0.9
152.07182	27.3
153.07532	0.9
158.06197	0.3
160.04053	1.1
160.07732	0.4
161.04619	0.2
162.05585	0.4
164.07156	0.2
173.04782	0.4
174.05626	1.3
175.03931	0.3
177.36765	0.2
180.06688	3.1
181.05043	0.2
186.05634	0.6
188.07176	11.3
189.07538	0.6
190.05124	0.3
193.05049	0.4
203.85675	0.2
209.10979	0.2
210.07863	0.4
211.08763	1.9
212.09245	0.2
214.05164	0.2
222.08095	0.3
223.08882	0.4
223.12399	0.7
224.09544	0.8
225.10370	2.5
226.10966	0.7
227.08214	0.2
227.11925	2.6
227.35965	0.2
228.12262	0.2
229.09848	0.6
230.12041	0.3
235.08748	0.5
236.09550	0.3
237.10310	1.1
238.07451	1.4
239.08263	0.4
239.11900	1.1
241.09947	0.2
245.12967	3.1
248.09578	0.4
249.06752	0.5
249.10379	0.7
250.07399	0.4
250.11192	0.3
251.08292	1.4
251.11890	1.7
252.09029	1.7
253.09839	6.7
254.10275	0.6
257.13004	0.2
262.07492	0.4
263.08188	0.4
263.11890	0.2
264.09000	1.0
265.09851	2.5
266.10632	0.6
267.11401	2.8
268.11841	0.2
273.12448	0.7
274.12836	0.3
277.09854	2.3
278.07227	0.2
278.10452	0.6
279.07779	2.2
279.11392	1.8
280.08466	0.7
280.12051	0.2
280.22641	0.2
281.09106	0.2
282.10062	0.2
289.09854	0.2
292.08755	0.9
293.09363	1.9
294.10080	2.5
295.10892	27.8
296.11279	2.7
307.10895	12.1
308.11218	1.0
311.06729	0.4
311.10300	0.3
313.11899	1.2
316.14395	0.2
317.11401	0.6
319.12973	0.3
321.08850	0.7
323.10318	2.7
324.10568	0.2
325.11948	0.6
335.12503	3.3
336.12827	1.1
337.13208	0.3
338.09039	0.4
339.09863	1.2
340.10468	0.3
341.11279	0.2
351.09921	0.7
355.13126	0.3
364.20349	0.3
372.17374	0.3
374.15082	0.3
390.18292	0.4
392.19879	1.1
400.16165	0.2
404.15784	0.3
412.16751	0.4
414.18192	0.4
416.15714	0.3
417.16113	0.4
418.17923	1.1
419.18158	0.2
432.19382	4.0
433.19443	0.5
436.18738	0.9
440.16113	0.7
442.17950	0.9
448.18256	0.3
458.17087	1.0
460.18814	23.8
461.19119	3.0
462.16599	0.3
463.17493	0.5
468.15723	0.5
476.18228	2.2
477.18991	0.4
486.16470	1.0
504.17819	41.6
505.18088	4.7
505.23724	0.2
506.18106	0.3
532.86334	0.2
536.20404	100.0
537.20703	12.5
538.20752	1.1
633.25140	0.3
643.24481	0.3
653.64740	0.2
661.24609	0.4
675.26642	0.6
691.26343	0.4
692.26514	0.3
693.27625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0039
Annotation	Maleic acid
Peak:m/z	Relative Intensity
50.77056	1.8
51.89454	1.9
59.01386	4.8
69.70229	5.6
69.70612	4.4
71.01389	100.0
74.02481	2.1
81.53931	1.6
85.65693	1.7
87.00908	6.6
98.20794	1.7
111.77069	1.7
115.00378	8.7
115.05938	5.0
116.07197	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	1143.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
79.84205	0.1
83.01387	0.5
93.03476	0.2
95.01405	0.1
98.20034	0.1
107.01404	1.6
108.02189	1.3
109.02962	1.1
111.00925	0.2
112.13325	0.1
119.01437	0.1
119.05016	0.2
121.02967	1.3
124.01687	0.2
125.02440	0.2
133.02979	0.3
135.00902	0.7
135.04552	0.2
139.04047	0.2
145.02966	0.1
147.00990	0.1
148.01680	0.8
149.02481	0.3
151.00377	7.1
152.01164	0.8
159.04539	0.4
161.02373	0.2
163.00385	2.0
163.03963	0.2
164.01151	0.5
165.01924	0.2
167.05075	0.2
169.01451	0.2
171.04506	0.2
173.06067	0.1
174.03229	0.1
175.04021	0.3
178.99866	3.7
183.04515	0.5
187.03998	0.4
190.99971	0.2
192.00673	0.3
193.01392	0.2
198.03148	0.2
199.03969	0.7
201.01910	0.2
201.05583	0.3
203.03519	0.3
211.04013	1.1
213.01878	0.2
215.03470	0.6
216.04263	0.4
226.02753	1.0
227.03502	2.5
229.01466	0.2
229.05045	0.4
239.03513	0.3
240.04260	0.2
243.03000	8.1
244.03601	0.6
245.04561	0.8
254.02208	1.6
255.03000	20.9
256.03409	1.3
257.04434	0.1
266.02341	0.2
271.02490	44.7
272.02972	3.2
273.04031	0.8
283.02457	1.1
284.03320	1.7
285.04083	1.9
299.02115	1.2
299.05313	0.3
300.02762	72.7
301.03494	27.3
302.03900	1.2
327.05365	0.1
343.04425	0.2
447.11121	0.3
463.08813	1.8
464.08957	0.2
505.09891	100.0
506.10199	6.6
593.15070	5.3
594.15710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1141.5806
Annotation	Unknow
Peak:m/z	Relative Intensity
79.92774	0.2
80.70081	0.3
83.01401	1.0
85.02957	13.7
86.00092	1.0
87.00885	4.4
87.04520	1.1
89.02443	1.7
93.35976	0.3
93.54390	0.3
95.01398	2.0
96.96022	1.4
99.00880	6.1
101.02441	1.8
103.04012	0.8
112.01651	0.6
113.02464	8.2
114.15601	0.3
115.04028	0.9
131.03529	3.3
139.00381	0.7
143.03508	2.7
145.05074	0.6
149.06131	0.3
157.01491	0.3
163.06157	0.6
170.72797	0.3
194.35016	0.3
205.07138	1.8
247.08157	0.3
303.52716	0.3
322.42395	0.3
411.14334	0.5
502.00656	0.3
845.46417	0.5
1123.57324	1.7
1124.57178	0.5
1141.58081	100.0
1142.58252	23.7
1164.60938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.7129
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05054	0.1
81.03465	3.7
81.63638	0.1
83.01392	5.3
83.01894	0.3
83.05034	8.0
85.02959	1.6
87.00890	0.3
89.02447	1.9
95.01423	0.6
97.02950	0.3
99.00881	0.3
99.04530	0.2
100.07689	0.1
101.02452	12.1
102.02816	0.1
107.06161	0.3
108.04539	0.4
109.02892	0.1
113.02464	5.3
113.03272	0.3
114.02808	0.1
119.03509	1.7
125.02390	0.5
125.07246	0.5
126.05602	0.3
131.03517	1.5
135.88586	0.1
143.03522	1.6
143.08249	0.3
146.73665	0.1
147.03030	0.3
149.04576	3.0
149.05959	0.2
155.03496	0.5
161.04567	5.1
162.04904	0.1
166.02711	0.2
168.80547	0.1
175.03954	0.1
193.04988	0.1
203.05614	0.7
203.07214	0.1
207.15013	0.8
221.06671	1.8
224.17677	1.7
225.16101	9.6
225.95619	0.1
226.16396	0.3
242.18777	0.5
250.15546	0.2
268.16751	0.1
270.97620	0.1
290.22476	0.1
308.23608	0.1
309.21826	0.6
310.89444	0.1
314.92532	0.1
324.26654	0.5
333.22998	0.6
339.07120	0.3
339.27350	0.1
341.29144	0.7
351.23642	0.2
367.27100	1.4
385.28027	0.1
403.98312	0.1
407.33905	0.2
413.21902	0.3
417.15417	0.4
433.31808	0.9
434.32263	0.1
450.34515	1.2
451.32928	7.1
452.33139	0.6
468.35364	0.2
476.32645	0.2
535.38733	0.2
550.43604	1.2
551.43591	0.2
559.39709	0.3
565.44299	0.3
567.46228	0.2
593.43762	0.8
632.47626	0.1
659.48706	2.3
660.48828	0.3
677.49719	100.0
678.50049	11.8
679.49921	0.5
921.39410	0.1
1135.50720	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	1135.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05070	1.6
84.15105	0.8
85.02951	1.4
89.02434	1.2
93.03470	2.7
94.06614	2.7
95.01348	1.3
96.96017	2.3
99.00907	1.4
101.02433	1.5
107.03784	8.0
108.02190	1.0
108.04565	1.7
115.71008	0.9
117.03461	18.0
120.04587	2.0
121.02934	1.9
122.02526	0.9
122.06123	24.4
124.04037	1.0
125.02381	1.3
132.04556	1.1
134.06125	3.4
139.02739	3.7
148.04025	1.1
149.02461	1.7
150.05591	3.4
152.07191	30.0
153.07455	1.3
159.04515	1.2
159.44849	0.9
160.01674	1.0
161.02420	3.6
163.03973	1.3
163.32623	0.8
174.03137	1.1
175.00340	1.2
175.03969	1.5
177.01878	1.6
183.04411	1.1
184.07774	1.0
196.93417	1.0
198.05650	1.4
224.07172	1.3
226.05043	5.0
227.05962	5.4
227.07927	1.4
228.06628	1.9
235.08739	2.0
237.10283	2.0
239.05609	1.6
239.11998	1.6
240.06642	8.6
241.07414	1.4
242.04587	1.6
251.08228	1.1
252.06671	2.1
253.04990	1.1
254.04648	3.4
255.05415	4.4
256.06076	4.3
263.08228	2.6
265.09753	5.1
266.04788	1.0
268.03644	2.1
268.06201	3.6
269.04465	5.1
269.06918	2.0
277.09802	1.5
281.04565	16.3
281.07318	1.5
282.05301	7.1
282.07947	1.4
283.06155	40.6
284.05954	6.9
285.04071	1.4
287.08115	1.6
293.04602	3.8
294.05267	1.7
295.06064	10.5
296.06165	2.9
297.03983	2.2
298.04282	1.2
298.07376	1.1
302.06604	2.0
307.06061	1.2
308.02921	1.1
309.03967	5.5
310.07385	1.2
311.05618	49.2
312.05887	3.3
314.04358	3.0
315.11273	1.4
321.04059	3.9
322.04678	1.9
323.05609	19.3
325.07117	1.6
328.05804	2.8
331.10486	1.5
335.05515	2.1
337.06952	1.0
339.05103	2.1
341.06647	27.0
342.06796	1.4
351.04874	2.2
353.06488	4.3
356.13922	1.4
370.11871	1.2
372.08768	1.9
386.10587	1.1
388.16550	1.1
389.09015	1.7
400.08066	1.3
402.09790	2.0
402.18188	1.0
403.11313	1.1
412.12857	1.4
416.07166	1.7
418.09131	4.5
427.15671	1.3
428.16205	2.2
429.16953	1.4
430.09171	2.0
430.17786	1.6
431.09906	5.8
432.10681	1.9
435.12131	1.0
443.09970	2.6
446.08691	4.8
447.11572	1.0
448.10315	2.1
458.08728	1.6
459.09875	2.7
460.10355	3.6
476.09869	5.1
476.16074	1.4
478.11325	5.9
481.10214	1.7
487.12793	1.2
490.11661	1.4
506.11057	1.5
508.12366	2.2
523.14758	1.4
524.84729	1.0
530.13647	1.2
533.16260	1.0
539.14429	1.2
565.16241	1.2
567.14105	4.1
569.15253	1.8
579.13507	4.6
580.14685	1.9
593.14862	1.2
597.15192	1.4
598.15894	2.9
599.15741	1.5
609.15369	3.9
621.16199	1.3
623.15375	1.0
627.16174	2.0
639.16748	1.6
682.19354	1.5
694.18274	1.2
727.23352	1.0
729.19397	7.4
747.20453	34.0
748.20880	3.1
871.26001	2.5
903.28534	1.7
907.28149	7.2
937.28308	2.2
939.30713	7.5
940.30994	1.5
949.29285	1.8
951.27393	3.5
952.30408	1.0
965.30316	1.6
969.30981	2.7
981.29883	1.3
983.30341	8.3
999.32617	1.2
1002.24042	1.3
1009.31171	10.2
1010.32184	2.5
1013.31207	1.4
1027.32654	73.7
1028.32874	13.9
1041.34033	6.5
1042.33484	1.5
1043.31238	1.8
1053.30762	12.9
1054.30615	3.2
1059.35315	29.6
1060.35046	5.8
1071.31543	99.2
1072.31836	22.8
1085.33386	16.4
1086.33826	1.9
1103.34155	100.0
1104.34521	23.7
1117.35339	1.4
1135.35571	11.8
1136.37488	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	113.0246
Annotation	19322-27-1
Peak:m/z	Relative Intensity
51.52483	1.4
55.01892	9.9
57.03457	34.2
60.33417	1.2
67.01900	5.3
68.27547	1.4
68.99563	8.3
69.03459	3.6
71.01385	11.2
71.59437	1.5
72.99319	2.5
83.01382	7.7
84.02185	14.8
85.02962	100.0
86.03310	5.1
88.42237	1.3
95.01385	3.4
110.54811	1.4
113.02467	26.9
114.05618	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	1133.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03471	11.6
83.01390	7.7
83.05039	5.3
85.02957	91.4
86.03277	1.1
87.00883	100.0
89.02458	2.3
93.03467	16.1
93.68192	1.0
95.01398	49.4
97.02960	31.4
99.00842	5.2
99.04529	7.5
101.02451	4.9
103.04012	8.7
107.05064	1.8
108.02181	4.9
108.99864	1.0
109.02959	25.1
111.00896	20.3
111.04509	3.5
113.02465	35.5
113.03255	1.7
114.03193	1.1
115.00381	10.6
115.04024	2.4
119.03477	1.1
119.05100	1.4
121.02956	4.1
123.04537	2.4
125.02461	6.0
127.04028	35.3
129.01955	3.0
135.04539	1.7
137.02472	9.6
139.00391	26.8
139.04012	2.4
141.05574	1.5
145.05093	8.9
146.65210	1.1
148.13364	1.0
149.02457	1.5
151.04010	1.8
153.01952	4.0
155.03534	8.1
157.01433	9.9
167.03450	1.4
169.05078	3.4
171.02983	3.9
173.04604	5.5
175.02481	32.2
179.03500	2.5
181.01479	2.8
181.05028	1.3
188.56624	1.4
199.02501	41.4
200.02711	1.3
213.04071	1.4
217.03554	18.7
241.03526	2.6
259.04544	1.8
267.66150	1.4
277.05545	1.5
285.06293	2.0
303.07184	14.3
321.08301	8.2
345.08279	11.5
387.09317	27.5
405.10449	18.0
447.21954	1.1
543.13159	1.4
551.16095	2.2
563.12048	1.4
569.17804	1.3
593.16364	1.3
603.15839	1.3
623.14581	8.6
629.16925	1.6
647.15912	2.1
685.18341	1.9
689.19153	1.7
707.17462	2.3
709.18280	35.8
710.18610	2.9
727.19421	93.7
728.19464	8.3
733.18085	1.7
751.19458	2.8
783.75720	1.0
793.20178	4.6
811.21143	5.6
927.22607	2.6
969.23633	2.2
975.27655	1.5
1029.25488	14.5
1044.56250	1.4
1073.28650	3.2
1091.29346	1.9
1115.29431	39.0
1115.54163	2.4
1116.29858	6.3
1133.30505	69.5
1134.30115	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	113.0247
Annotation	19322-27-1
Peak:m/z	Relative Intensity
50.58524	1.8
55.01878	8.2
57.03456	39.3
67.01890	2.1
68.99570	26.2
69.03468	11.4
69.17834	20.9
71.01388	7.8
72.00919	2.8
72.99317	3.9
74.74687	2.1
79.39308	1.8
83.01402	6.9
84.02172	12.6
85.02964	100.0
85.13763	2.0
86.03302	4.7
87.42796	2.1
95.01419	2.6
109.95294	2.2
113.02467	56.4
114.02015	4.0
114.02802	4.2
114.05623	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01404	0.3
85.02953	0.2
86.66639	0.1
87.66747	0.1
88.35604	0.2
91.01898	0.3
91.94897	0.1
93.03474	1.0
95.01388	0.2
99.04546	0.8
101.02444	0.3
104.02566	0.1
107.01399	1.1
109.02958	0.4
113.02422	0.2
117.03481	0.2
119.05079	0.2
125.02467	0.6
131.03413	0.2
132.02191	0.4
135.00871	1.1
141.07030	0.2
143.05067	0.6
145.02943	0.2
147.04591	0.2
148.01721	0.6
151.00369	1.7
153.01933	0.5
153.09181	0.2
154.04207	0.2
156.05833	0.2
157.06590	0.3
159.04532	0.7
161.02554	0.2
163.00372	1.4
164.01083	0.2
165.01877	0.3
167.05087	0.3
168.10977	0.1
169.01399	0.1
169.06615	0.5
171.04539	0.5
173.02396	0.1
174.03287	0.1
175.03951	0.2
180.15240	0.1
182.03671	0.2
183.04581	0.9
184.05315	0.6
185.02457	0.2
185.06073	1.5
187.03967	1.6
189.05534	0.5
195.04533	0.7
196.05281	0.5
197.06107	0.6
197.99675	0.2
198.03204	0.3
199.04053	0.7
201.05545	0.4
207.11707	0.1
211.04037	3.5
212.04736	0.6
213.05553	1.2
215.03445	0.3
223.04073	0.3
224.04819	0.3
225.15092	0.2
227.03510	18.6
228.03876	0.9
229.05066	7.0
230.05309	0.4
239.03502	2.2
240.04272	1.8
241.05063	1.0
243.03070	0.3
243.33778	0.2
244.46237	0.2
252.04324	0.2
255.03003	33.2
256.03622	3.3
257.04581	4.2
258.04913	0.2
267.03024	1.5
268.03775	15.5
269.04266	0.7
271.02524	0.2
281.04572	0.2
283.03381	0.4
283.06137	19.8
284.03284	42.0
285.04047	54.0
286.04416	2.5
297.04324	0.2
299.05429	0.2
300.02814	0.2
325.07214	0.4
327.05194	0.8
361.34760	0.2
387.19934	0.2
429.21255	0.3
531.24500	1.1
593.15131	100.0
594.15460	9.6
1125.40698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03437	0.2
83.01394	1.7
85.02953	1.3
89.02454	2.4
92.38047	0.2
93.03461	0.3
95.01405	0.8
99.00906	0.3
99.04567	0.2
101.02454	4.6
109.02964	1.7
111.00860	0.3
113.02460	2.4
114.02796	0.3
119.03502	0.9
121.02975	0.4
123.00908	2.6
123.04530	0.3
125.02448	0.8
131.03531	0.5
133.02975	0.3
137.02457	6.1
138.03194	0.2
139.00381	0.5
139.04036	0.3
143.03522	0.7
147.04514	0.2
149.02481	1.0
149.04553	0.8
151.00378	16.6
151.03967	1.1
152.01143	1.2
152.04810	1.4
152.07166	0.3
153.01921	0.5
154.02740	0.2
161.04562	1.8
162.03175	0.2
163.03969	0.3
164.04826	0.4
165.01938	0.7
166.02725	42.3
167.03371	2.3
173.02522	0.4
175.04010	0.9
176.04674	0.2
177.01944	1.8
177.05522	0.3
179.03546	0.3
179.05580	0.6
179.07111	0.4
181.05075	52.3
182.05397	1.7
184.03824	0.6
189.05679	0.2
190.02704	0.4
190.06354	0.7
191.03546	0.9
192.04253	0.8
193.05054	0.7
195.03008	0.5
203.03514	0.3
205.05028	0.7
205.08710	0.6
207.06651	0.7
218.05911	0.2
219.06635	0.7
221.04611	0.3
221.06705	0.7
255.03156	0.2
269.04565	0.8
271.02490	0.4
300.02710	0.4
301.03510	0.3
301.07281	0.3
314.07999	0.2
316.09592	0.2
329.10294	0.2
341.10397	0.3
356.12711	0.3
357.09692	0.5
359.11331	2.0
371.14679	0.3
371.20718	0.8
383.32889	0.2
387.10873	10.7
387.31427	0.2
388.11050	0.7
402.13202	7.1
403.13562	0.3
413.21747	1.2
417.15555	100.0
418.15912	7.9
418.21509	0.4
419.16211	0.8
440.51266	0.2
536.20673	0.3
561.19781	0.6
603.90387	0.2
918.26306	0.4
1123.45447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02943	0.1
89.02417	0.1
93.03466	0.2
95.01407	0.1
96.96010	0.1
98.20650	0.2
101.02493	0.1
105.03463	0.1
108.02184	0.3
109.02971	0.6
113.02512	0.1
121.02975	0.3
123.00900	0.4
124.01667	0.2
132.02199	1.4
133.02986	0.4
135.00899	0.3
136.01671	0.5
137.02455	3.8
141.07076	0.1
145.02974	0.2
148.01694	0.3
149.02466	0.2
150.03166	0.2
155.05006	0.1
160.01669	1.4
161.02470	3.4
169.06638	0.4
171.04544	0.4
172.05392	0.2
174.03185	0.2
175.04047	0.2
178.02821	0.1
183.04558	0.3
185.02548	0.2
185.06131	0.7
186.06918	0.2
187.03940	0.6
187.36960	0.1
190.02725	0.1
195.04597	0.2
196.05310	0.2
197.06029	0.9
198.03233	0.5
198.06911	0.2
199.03995	0.7
200.04762	0.7
201.05560	0.7
209.06154	0.4
211.03955	0.8
212.04796	0.2
213.05573	7.6
214.06317	2.3
215.03549	0.2
215.06857	0.1
217.05063	0.5
223.04012	0.5
224.04779	1.1
225.05580	1.4
226.02689	0.4
226.06354	0.3
227.03540	1.9
228.04030	0.1
229.05055	0.3
239.03560	0.5
240.04221	0.2
241.05078	3.5
242.05785	0.9
243.27663	0.1
251.03474	0.7
252.04285	4.1
253.01508	0.2
253.05042	2.4
254.02112	0.6
254.05821	0.3
255.03009	3.1
256.03305	0.2
267.02969	0.2
268.03967	0.2
269.04568	6.3
270.05328	6.7
271.05768	0.4
279.03021	0.3
280.03806	0.7
281.04581	2.4
281.06906	0.1
282.05325	0.4
283.02524	2.0
284.03079	0.1
285.07758	0.2
297.04068	2.7
297.07251	0.1
298.04834	100.0
299.05188	5.0
299.08679	0.1
313.07190	90.9
314.07532	4.9
314.10468	0.1
330.03796	0.1
1123.46521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9858
Annotation	Trifluoroacetic acid
Peak:m/z	Relative Intensity
56.13916	0.2
57.03450	0.8
61.68295	0.3
64.66878	0.2
66.03497	0.6
68.99580	100.0
69.99908	0.6
70.57061	0.8
71.01399	0.3
72.32160	0.2
80.57668	0.2
82.68237	0.2
83.01398	0.3
84.02171	0.4
85.02959	2.3
100.52564	0.2
112.98586	2.6
113.02455	1.2
114.05618	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	112.9858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13916	0.2
57.03450	0.8
61.68295	0.3
64.66878	0.2
66.03497	0.6
68.99580	100.0
69.99908	0.6
70.57061	0.8
71.01399	0.3
72.32160	0.2
80.57668	0.2
82.68237	0.2
83.01398	0.3
84.02171	0.4
85.02959	2.3
100.52564	0.2
112.98586	2.6
113.02455	1.2
114.05618	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	1121.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02718	0.1
81.03464	1.0
83.01392	0.2
85.02955	0.2
87.00883	0.1
89.02449	0.2
91.05540	0.1
93.03462	0.2
95.01392	0.1
95.08797	0.0
96.96021	0.0
97.02978	0.1
101.02442	0.3
103.19052	0.0
107.04993	0.1
108.02178	0.7
109.02986	0.1
113.02457	0.2
117.03482	0.1
121.02988	0.1
122.03746	9.9
123.00880	0.2
123.04070	0.4
124.01673	0.1
125.02442	0.7
129.07118	0.1
131.03584	0.1
131.65051	0.0
133.03011	0.4
135.04515	0.1
136.01663	0.2
137.02454	0.9
149.02425	0.1
153.02005	0.2
154.02678	0.3
156.05830	0.3
157.06581	0.2
159.04550	0.1
161.02451	1.4
165.01996	0.0
169.06644	0.3
169.10252	1.3
170.10623	0.1
171.08168	5.0
172.08534	0.3
173.06099	0.1
174.06851	0.1
175.04117	0.1
175.07632	0.2
176.04771	0.1
187.00452	0.1
201.05624	0.2
202.06255	0.1
206.62347	0.1
213.09219	100.0
214.09554	7.6
215.09819	0.7
237.09225	0.7
253.05313	0.1
255.10129	0.3
284.03110	0.1
291.10269	0.1
307.09793	0.1
319.09787	0.1
335.09299	0.1
345.07892	0.1
353.10138	0.1
357.13538	0.2
363.08823	0.7
376.73190	0.1
377.10199	0.1
378.11057	0.4
379.11920	0.1
393.13486	1.8
394.13782	0.1
395.14847	0.1
411.14743	0.1
417.15561	4.2
418.16086	0.5
461.14740	0.1
536.20691	0.1
555.18512	0.4
573.19623	0.1
574.83679	0.0
583.25116	0.1
585.16168	0.1
613.19220	0.2
614.19690	0.2
615.20807	4.7
616.21271	0.4
627.25092	0.1
649.23230	0.1
714.74640	0.1
1089.32727	0.1
1121.46826	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	1115.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	0.2
83.43084	0.1
85.02932	0.5
86.00114	0.2
87.00885	1.0
89.02457	0.9
93.03475	0.2
99.00899	0.2
101.02451	0.9
105.03485	0.2
113.02439	0.2
119.05058	0.3
121.02967	1.4
121.06635	0.2
122.03759	0.2
131.03505	2.5
131.04478	0.2
133.03000	0.2
147.04547	1.7
148.05318	100.0
149.04593	0.1
149.05640	2.6
159.04495	0.2
161.02463	2.0
163.07661	81.4
164.07980	2.3
173.06064	0.6
176.04807	0.4
177.02074	0.1
188.04843	0.1
189.05563	0.2
191.05623	0.9
191.07153	0.2
201.05568	0.3
203.05646	0.4
217.05075	0.3
219.06483	0.2
247.98245	0.1
304.04370	0.1
322.04709	0.1
323.05734	0.2
333.07620	0.1
337.07089	0.3
339.08499	0.2
351.08801	0.3
361.07230	0.9
363.08698	0.2
367.14005	1.1
376.09515	0.6
377.10330	0.3
379.08212	0.3
391.11969	1.5
393.09564	0.2
394.10483	0.3
405.22607	0.1
408.12036	0.1
409.12939	0.9
703.22461	25.7
704.22614	2.1
740.19696	0.1
962.95087	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	1111.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01396	0.6
85.00146	0.2
85.02971	0.3
96.96042	0.4
98.20663	0.3
101.02439	0.3
107.01394	1.7
109.02975	0.4
113.02444	0.6
117.03468	0.4
121.02955	0.5
122.06070	0.2
125.02439	0.5
132.02200	0.4
133.02959	3.5
134.03743	0.8
135.04471	0.4
145.03008	0.2
148.01694	0.4
149.02438	0.8
149.99564	0.3
151.00383	3.6
151.04085	0.2
152.03502	1.2
161.02415	0.3
165.02087	0.2
169.01440	0.3
171.04427	0.3
175.04022	1.2
177.01968	0.4
178.99796	0.2
183.04523	0.7
184.05321	0.2
187.03947	0.3
188.04790	0.3
199.04021	1.4
200.04759	0.3
201.01900	0.4
201.05615	0.2
209.05931	0.2
211.03952	1.0
212.04605	0.4
213.05539	0.2
215.03426	0.5
217.05084	0.8
227.03514	1.5
239.03488	0.6
240.04036	0.4
241.05046	0.6
243.03090	0.4
255.03020	1.6
255.53831	0.2
256.03784	3.7
257.04529	0.3
267.02954	0.6
268.03754	3.6
269.04538	9.4
270.04916	1.0
271.02429	0.3
283.02432	0.8
283.06104	1.7
284.03284	51.4
285.04050	84.0
286.04401	3.7
287.05597	0.3
297.04083	0.9
298.04584	0.3
299.05035	0.2
300.02789	0.3
327.05115	1.3
356.23703	0.2
432.74356	0.2
447.09402	1.3
489.10388	100.0
490.10751	7.8
505.07617	0.4
505.20844	0.3
577.15680	5.9
578.15924	0.8
579.15857	0.3
768.83844	0.3
813.19452	0.5
851.00586	0.3
1111.45691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01885	40.2
56.02208	1.9
56.40257	1.9
58.83917	1.8
63.24588	1.7
67.01900	50.5
67.37647	1.8
68.02241	1.9
69.65259	11.2
71.01391	11.0
74.58698	1.9
77.44973	1.7
78.95911	13.9
79.95763	2.9
83.01395	100.0
84.01727	4.6
84.04537	14.1
93.29681	2.1
96.97983	1.7
100.96167	1.8
110.97585	8.8
111.00899	98.2
111.04543	16.0
112.01250	5.0
112.04053	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	111.009
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
50.55624	2.7
55.01882	41.7
62.77718	2.7
67.01526	3.4
67.01894	76.3
69.63716	17.0
71.01365	7.7
78.95907	23.0
83.01395	80.4
84.01743	3.4
84.04557	3.4
85.03793	3.4
92.50764	2.8
98.19917	5.8
110.97585	8.3
111.00887	100.0
111.04504	15.6
112.01248	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	1107.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
76.94616	0.1
83.01382	0.2
89.74751	0.1
101.02438	0.3
107.72852	0.1
109.02939	0.2
117.03410	0.5
121.02968	0.5
132.02144	0.6
133.02966	0.2
136.01637	0.1
137.02448	0.9
141.03566	0.1
143.05124	0.1
145.03044	0.1
147.00880	0.2
154.04175	0.1
155.05064	0.4
160.01634	0.2
161.02444	0.7
167.05055	0.6
171.04474	0.1
180.05821	0.2
182.03772	0.2
183.04532	1.3
185.06157	0.2
195.04504	2.5
196.05013	0.2
197.06087	0.3
198.03271	0.1
200.04720	0.2
201.05650	0.2
208.05342	0.3
210.03218	0.3
211.04013	4.6
212.04494	0.1
213.05577	1.7
214.06284	0.6
217.63391	0.1
223.04013	2.8
224.04698	0.3
225.05556	0.3
226.02878	0.2
226.06586	0.1
227.03569	0.4
235.04225	0.1
236.04787	2.0
238.02724	0.4
238.06477	0.1
239.03511	21.2
240.03859	0.9
241.05083	0.7
242.05899	0.2
250.02628	0.2
251.03297	0.2
251.07106	0.4
252.04315	1.0
253.05161	0.6
255.03096	0.6
264.04266	0.9
266.02261	0.3
267.03000	40.8
268.03317	1.8
269.04562	1.5
270.05371	1.2
271.06021	0.1
279.06750	0.2
280.03665	0.2
281.04547	0.4
282.05350	100.0
283.02600	0.4
283.05676	5.1
289.05048	0.2
292.03796	1.2
294.05353	0.2
295.06390	0.5
297.07690	92.0
298.04901	19.3
298.08063	4.2
299.05081	1.0
304.07483	0.4
307.06107	4.1
308.06454	0.2
309.07596	0.3
313.07196	15.8
314.07333	0.7
319.09839	0.3
339.08743	1.9
351.05069	0.1
381.09607	0.1
491.77658	0.1
542.86975	0.1
925.81177	0.1
1107.45239	0.1
1111.49548	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05537	0.6
81.03451	0.3
81.07076	0.4
83.05034	9.5
93.03475	1.8
107.05023	1.9
108.02170	0.5
109.02959	0.8
119.05035	0.6
121.02972	1.6
121.06602	0.5
122.03773	1.0
123.04588	0.3
123.08176	24.8
124.08576	0.7
131.05022	1.2
132.31082	0.3
134.03720	1.1
135.04521	1.4
137.02446	1.8
143.04984	0.4
149.02458	3.0
151.04019	0.6
159.04593	0.6
161.02448	0.8
163.04041	0.4
169.06671	0.6
171.08162	0.4
173.06062	0.5
177.05566	0.6
179.08702	0.6
181.01457	0.5
181.10255	2.2
183.08138	1.0
185.06125	0.4
187.07674	0.4
189.05627	0.5
195.08122	0.6
197.09688	1.3
197.11497	0.3
201.05591	0.4
207.08224	0.4
210.06903	0.4
211.07687	2.8
212.08366	1.0
213.09209	5.0
223.07695	1.5
225.09229	40.7
226.09724	2.2
227.07228	0.4
227.10733	0.4
228.08138	0.5
235.07578	0.6
237.09233	3.5
238.09914	0.6
239.07170	1.6
239.10770	2.7
240.07851	0.5
241.08755	1.4
242.09439	0.4
247.11362	0.4
251.07201	1.4
251.10617	0.3
252.08092	0.4
253.08679	0.5
254.09526	0.5
256.07382	3.2
257.08289	0.5
263.07266	0.5
263.10706	0.8
265.09473	0.5
265.12350	5.1
265.15262	0.5
266.12845	0.4
269.08206	20.6
270.08762	1.4
272.06866	0.6
277.12250	0.4
279.13980	0.5
280.10922	0.4
281.08231	4.8
281.15488	0.8
282.08893	0.5
282.12579	0.5
283.09805	0.5
285.07800	0.4
287.14487	0.7
289.16043	0.4
291.10281	3.4
291.13797	0.8
292.10880	0.7
295.09570	0.4
303.13913	2.3
305.15536	1.6
307.17059	0.4
308.38199	0.4
309.11276	1.8
317.11856	1.0
320.12677	3.2
321.11707	0.5
331.13434	4.5
335.12936	1.6
345.18515	0.5
347.12836	1.6
349.14474	6.4
349.18674	0.5
350.15060	0.5
355.15591	0.4
357.15033	0.4
363.19662	4.6
364.20209	0.4
365.14096	0.8
375.16031	38.4
376.16422	2.8
381.20746	3.5
389.17664	6.7
390.17947	0.4
391.19260	0.9
392.16302	1.3
393.17093	47.6
394.17407	3.3
407.18668	16.8
407.62930	0.4
408.19229	2.9
423.17780	0.6
424.18607	0.4
425.19736	100.0
426.20050	6.5
707.61353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01401	1.2
85.02948	2.9
87.00900	0.7
87.57323	0.3
89.02460	2.3
92.33050	0.3
95.01398	1.2
96.21381	0.3
97.32516	0.3
99.00891	0.6
99.04604	0.4
101.02456	4.6
105.23769	0.3
107.01431	0.5
108.02202	0.5
111.00912	0.3
113.02460	6.3
114.02775	0.4
119.03517	1.2
125.02502	0.6
125.96480	0.4
143.03571	0.6
151.00383	2.5
161.04579	2.5
163.00328	0.4
171.04503	0.4
175.03961	0.4
179.05630	0.4
183.04495	0.8
187.04042	0.5
199.04024	2.3
200.04715	0.3
201.01889	0.4
209.15453	1.0
211.04068	0.7
215.03465	1.2
225.15039	0.7
226.02742	0.5
227.03517	3.3
227.16559	2.2
231.03021	0.4
234.22415	0.4
238.02629	0.3
242.02252	1.8
243.02989	17.8
244.03505	2.5
245.03340	0.3
254.02280	0.4
255.02992	12.4
256.03461	0.7
257.04568	3.0
259.06226	0.5
270.01752	2.7
271.02484	30.7
272.03040	4.8
273.03281	0.7
285.04053	4.7
286.04767	1.3
287.05563	1.5
297.03909	0.5
299.01993	29.6
300.02740	28.2
301.03116	3.2
302.03134	0.8
309.35065	0.3
313.03598	0.5
313.07190	0.4
314.04340	31.3
315.05103	64.1
316.05420	8.0
317.02591	0.4
317.05615	1.9
324.43869	0.3
357.06174	0.7
371.20755	21.6
372.21097	1.2
389.16711	0.7
389.21805	10.6
390.22125	0.4
429.21524	0.4
430.22037	0.7
431.22852	27.4
432.23309	1.2
475.12350	1.0
519.31940	0.9
579.33575	0.5
623.16180	100.0
624.16571	17.2
624.26996	0.7
625.16760	9.1
626.17023	0.6
952.31525	0.4
1098.97986	0.4
1099.36755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
101.02457	0.2
104.96754	0.1
113.02423	0.1
117.03515	0.1
121.39756	0.1
127.78374	0.1
132.02242	0.3
141.03551	0.1
143.05057	0.1
147.00842	0.1
155.05046	0.2
161.34442	0.1
167.05054	0.3
169.29346	0.1
171.04565	0.1
175.00333	0.1
182.03772	0.1
183.04538	0.7
186.03276	0.1
195.04514	4.2
196.04921	0.2
197.02502	0.1
201.05589	0.1
210.03287	0.2
210.06857	0.5
211.04031	3.5
212.04424	0.2
215.03607	0.1
223.04039	1.4
225.05507	0.4
226.06369	0.2
236.04807	0.2
237.05556	0.1
238.02727	0.2
239.03517	26.7
240.03868	1.2
251.03424	0.2
251.07109	0.7
252.04384	0.3
253.05087	0.5
254.05873	17.9
255.06262	0.8
264.04370	0.2
265.05215	0.1
266.02267	0.4
266.05771	0.1
267.03003	7.1
268.03391	0.3
280.03674	0.1
281.04599	0.9
281.08191	0.4
282.05359	71.0
283.05716	3.3
289.05008	0.1
292.03757	0.4
294.05316	0.1
295.06198	0.7
296.06876	0.3
297.07700	100.0
298.08023	5.3
304.07465	0.5
307.06128	3.0
308.06393	0.2
309.07770	0.2
310.08081	0.1
311.09329	0.2
319.09723	0.5
339.08752	2.0
340.09467	0.1
348.06512	0.1
363.08820	0.2
381.09766	0.1
440.56635	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	1095.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01375	0.2
85.02969	0.2
91.01891	0.2
93.03467	0.1
96.95998	0.2
101.02422	0.3
107.01413	0.2
108.02128	0.1
109.02896	0.2
110.08437	0.1
113.02470	0.2
119.05000	0.2
121.02877	0.1
122.03716	0.3
134.03723	0.1
135.00919	0.6
136.01675	0.2
148.01675	1.4
149.02501	0.2
150.03224	0.2
151.00349	0.4
153.02005	0.1
158.03725	0.6
163.04027	0.2
176.01170	0.6
183.04507	0.3
184.05286	0.1
187.03938	0.2
188.04729	0.2
189.01961	0.1
193.04906	0.1
195.04526	0.2
196.05254	0.2
199.04099	0.7
200.04768	0.8
210.71188	0.1
211.04034	1.2
212.04822	1.2
213.09222	0.8
214.02678	0.3
215.03444	0.1
216.04172	0.3
223.03993	0.3
224.04778	0.2
225.05641	0.1
225.84036	0.1
227.01350	0.2
227.03513	3.5
228.04208	0.7
239.03532	1.2
240.04279	0.7
242.02232	0.3
255.03015	5.3
256.03760	2.1
267.02975	0.8
268.03763	1.2
269.04541	1.0
270.05383	0.8
283.02542	5.2
283.06012	0.8
284.03278	59.1
285.03641	2.7
296.03320	0.1
297.04068	2.1
298.04813	3.1
299.05621	100.0
300.05966	4.5
301.07178	0.2
306.05371	0.3
312.06631	0.2
313.07080	0.6
321.07755	1.0
323.05573	0.2
326.04272	0.7
327.04996	0.2
341.06662	10.5
342.07025	0.5
365.06577	0.8
383.07797	0.6
387.14749	0.2
419.13284	0.9
420.13730	0.1
427.13947	0.2
503.12021	1.6
582.83496	0.1
1095.39148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
91.01887	0.7
101.02455	0.4
113.02396	0.1
117.03445	0.2
121.02956	0.1
123.00856	0.1
125.18998	0.1
128.88036	0.1
132.02197	0.4
133.02937	0.5
135.00906	0.9
143.05045	0.2
147.00984	0.1
148.05275	0.6
151.03918	0.1
153.01956	0.2
159.04475	0.1
160.01682	0.1
161.02429	0.2
163.07649	0.5
167.05035	0.4
169.06586	0.3
171.04576	0.1
180.05832	0.5
181.06584	0.4
182.03650	0.1
183.04503	0.5
184.05301	0.2
185.06039	0.6
185.13519	0.1
187.03952	0.1
195.04532	1.0
196.05237	0.5
197.06108	1.0
198.03105	0.1
207.04584	0.2
208.05292	1.1
209.06100	2.0
210.03241	0.2
211.03972	1.2
211.07906	0.2
212.04822	0.3
213.05429	0.2
215.03522	0.7
223.04022	1.4
223.07520	0.1
224.04784	2.4
225.05574	2.1
235.03947	0.2
236.04800	0.3
237.05573	0.4
239.03508	2.0
240.04317	1.3
241.04907	0.1
248.04834	0.1
251.03531	2.0
252.04320	2.4
253.05078	28.3
254.05409	1.2
265.05099	1.3
267.02945	1.5
267.05969	0.2
268.03790	9.8
269.04135	0.4
279.03006	1.3
280.03775	0.2
281.04572	100.0
282.04913	5.0
283.06067	0.4
293.51605	0.1
294.05252	0.2
295.02518	0.8
295.06143	0.7
296.03281	29.9
297.03647	1.5
303.06754	0.2
309.04123	0.7
310.04825	0.1
311.05634	47.0
312.05939	2.3
318.05414	0.2
321.04089	1.6
322.04739	0.1
323.05667	1.5
324.06073	0.1
325.07153	0.1
333.07590	0.3
347.05634	0.1
353.06702	1.6
365.06873	0.2
369.13409	0.2
692.18878	0.1
1089.43896	0.1
1114.67065	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	1083.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95744	1.0
80.02693	2.9
95.28014	0.2
96.96023	11.8
108.02186	50.3
109.02494	1.2
123.04539	24.6
123.08175	3.4
124.04846	0.5
124.08495	0.3
135.04553	1.4
137.29637	0.2
152.01154	2.9
167.03513	100.0
168.03879	2.2
173.75156	0.3
225.09175	0.3
273.18781	0.3
291.19595	1.0
363.15918	0.5
407.18649	2.5
408.18936	1.0
409.19354	0.5
422.20947	0.3
437.19943	0.5
438.20062	0.8
439.21057	3.5
440.21271	1.5
441.22476	5.1
481.15140	0.4
494.58777	0.3
540.16571	0.6
555.19073	0.5
572.15527	0.2
641.22919	0.7
652.85510	0.3
777.27887	3.7
778.28052	0.8
809.26959	4.9
810.26337	1.3
859.97858	0.3
915.41870	1.1
916.41760	0.4
1040.23425	0.3
1083.46375	2.5
1084.46228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.432
Annotation	Unknow
Peak:m/z	Relative Intensity
86.94570	0.4
91.07057	0.3
96.96041	1.0
98.19895	1.1
127.02750	0.4
160.97554	0.3
169.06577	0.5
177.12857	0.8
179.08681	2.7
187.04123	0.4
190.25081	0.4
196.08972	0.4
211.07675	0.9
221.06226	0.4
223.07655	26.6
224.08400	5.1
225.09277	3.9
225.89452	0.3
227.07159	0.6
232.08965	0.6
233.06026	0.4
234.06773	0.6
235.07678	1.6
237.09201	1.2
246.06967	0.5
247.11214	0.5
251.07129	1.5
252.07913	0.4
256.07535	0.7
257.09796	0.6
259.11383	1.0
261.09201	0.7
263.07129	2.2
263.10690	0.8
264.07935	4.5
265.12262	0.6
275.07462	0.5
275.10657	0.8
277.12418	0.6
285.09244	0.5
286.10172	0.4
287.10870	0.7
289.08725	0.5
303.10263	6.4
304.11047	8.3
305.11829	0.6
322.08478	0.5
329.19205	0.7
336.96915	0.4
339.72113	0.4
345.18607	1.4
347.20163	23.8
348.20581	1.3
355.17212	0.7
373.18103	20.9
374.18423	1.6
391.19180	100.0
392.19510	7.0
589.64954	0.4
710.04248	0.4
924.93176	0.4
1057.06531	0.5
1079.43237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01400	0.4
83.28497	0.3
92.19333	0.3
99.46061	0.3
107.01409	1.3
108.02183	0.7
109.02989	0.7
121.02965	1.2
125.02487	0.4
135.00909	0.6
148.01685	0.4
151.00381	6.7
163.00400	1.0
164.01173	0.4
178.99878	3.6
190.99878	0.4
199.03902	0.4
203.03473	0.3
211.04005	0.5
215.03444	0.3
226.02676	1.0
227.03545	1.6
228.04282	0.4
229.04967	0.7
243.02985	5.0
245.04602	0.8
254.02258	1.2
255.03001	14.5
256.03461	0.9
271.02493	30.9
272.03076	2.3
273.04175	0.8
283.02505	0.8
299.01965	1.0
300.02774	65.4
301.03488	26.5
302.03964	1.5
343.04501	0.7
496.41034	0.3
513.72491	0.3
527.92255	0.3
609.14648	100.0
610.14972	11.0
611.15161	0.8
988.29584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
85.11874	0.1
86.40797	0.1
88.98809	0.2
93.03452	0.2
96.95980	0.3
107.05010	0.1
109.02953	0.2
117.03462	0.1
119.56676	0.1
121.02941	0.2
123.04498	0.2
129.07098	0.1
131.05066	0.2
133.02969	1.0
135.04538	0.5
139.04015	0.1
145.02971	0.1
147.00905	0.1
147.04541	0.1
148.01775	0.1
149.02454	0.8
150.03206	0.1
151.10907	0.1
152.79552	0.1
155.05045	0.3
157.06615	0.2
159.04539	0.3
161.02449	0.2
163.00366	0.2
171.04550	0.2
173.06070	1.6
174.03284	0.1
174.06804	0.1
175.00449	0.1
175.03978	0.1
175.07639	0.1
177.01924	0.1
183.04535	0.2
187.04030	0.3
187.07658	0.1
189.01888	0.2
197.06081	0.4
199.04036	0.6
200.01064	0.1
201.01991	0.6
201.05569	0.4
211.04054	0.1
213.05569	0.4
214.06343	0.2
215.03473	0.4
217.05084	0.5
224.04735	0.3
225.05562	0.6
227.03499	1.1
228.04179	0.4
229.05133	0.2
237.09076	0.2
240.04285	0.2
241.05025	0.8
242.05853	0.3
243.06569	0.7
249.05385	0.1
251.03432	0.1
251.10732	0.1
253.04994	0.6
255.02948	0.2
261.08978	0.2
263.03622	0.1
263.06958	0.2
264.07846	0.1
265.08844	0.1
266.05579	0.1
267.02972	0.3
267.06329	0.1
268.03787	0.4
269.04520	1.4
271.02539	0.1
272.08209	0.1
277.05075	0.3
277.08551	0.1
279.02899	0.2
279.06369	0.1
279.10242	0.3
280.03809	0.2
280.07300	0.1
281.04422	0.1
281.08221	0.1
282.05408	0.2
283.09726	0.2
284.03299	0.2
289.08600	0.2
291.06570	0.4
292.07385	0.2
295.02606	0.5
295.09741	0.3
296.03192	1.0
297.04068	8.3
298.04776	0.8
305.08127	0.4
307.06046	0.3
307.09744	0.5
308.03326	0.5
308.06750	0.2
309.04092	5.2
309.07605	0.2
310.04694	0.5
311.05606	0.1
312.06232	0.1
321.04156	0.9
322.04712	0.2
323.05737	0.2
323.09265	0.4
333.07703	1.0
334.08505	0.2
335.05624	0.6
336.06430	1.9
337.07077	0.4
337.10806	0.2
338.07895	0.3
344.05383	0.5
350.07834	0.5
351.08749	47.5
352.09106	2.6
357.33603	0.1
365.10263	0.2
366.10965	0.4
377.10645	0.2
420.15820	13.3
421.16309	0.8
435.18149	100.0
436.18454	6.3
481.15237	0.3
555.18787	0.6
572.15747	0.1
641.22626	0.8
1045.39771	0.1
1077.41125	2.8
1078.42505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	1.5
85.02978	0.2
93.03477	0.3
95.01430	0.3
105.38608	0.2
107.01399	2.8
108.02180	0.2
109.02979	1.7
111.00829	0.2
111.24645	0.2
113.02428	0.2
121.02980	0.7
123.00908	0.3
124.01670	0.7
125.02465	0.7
132.60680	0.2
133.01958	0.2
133.02968	4.4
134.03729	0.5
135.00839	0.2
135.04509	0.9
137.02448	0.4
146.03734	0.8
147.04535	0.4
148.01677	0.2
149.02446	0.9
149.06067	0.2
151.00385	7.5
151.04010	0.6
152.01163	1.5
153.01947	1.2
159.04544	0.3
161.02464	0.8
161.04494	0.2
161.06094	0.3
163.00432	0.8
163.04036	0.5
165.01894	0.4
169.01460	0.7
173.02525	0.2
174.03279	0.2
175.00473	0.4
175.04001	1.9
177.01952	1.1
177.05467	0.9
178.99887	7.8
179.03477	0.6
179.07207	0.4
181.01476	0.3
185.02492	0.3
187.03911	0.2
189.01932	0.5
189.05531	0.6
190.02721	0.3
190.99915	0.2
191.03554	0.6
192.00659	0.4
193.01424	1.4
198.03279	0.3
199.04008	0.7
201.01936	0.9
201.05560	0.2
203.03519	1.7
205.01485	0.4
205.05035	0.5
207.03023	0.2
211.04042	0.7
211.07594	1.1
212.04811	0.2
213.01993	0.5
213.05667	0.5
214.02708	0.4
215.03546	0.7
217.05081	0.6
219.02992	0.2
223.07819	0.2
225.02020	0.4
225.05609	0.3
226.02740	0.9
227.03482	1.8
228.04153	0.3
229.01477	0.3
229.05009	0.3
230.02304	0.2
231.03043	0.2
233.04504	0.5
235.02493	0.3
237.01990	0.6
237.05537	0.2
238.06351	0.2
239.03484	0.4
239.07172	0.4
240.04286	0.4
241.01448	0.4
241.05006	0.6
242.02336	0.6
242.05563	0.2
243.02969	0.7
245.04593	0.5
249.05650	0.2
252.04329	0.4
253.01494	1.0
253.05109	0.4
254.02167	1.0
254.05792	0.5
255.03040	2.3
255.06548	0.3
256.03696	0.3
257.04489	0.2
265.05011	0.4
266.02213	0.3
267.02917	0.4
267.06650	0.7
269.00967	3.6
269.04102	0.3
270.01547	0.6
270.05124	0.2
271.02448	2.2
272.03018	0.2
277.05011	0.2
280.03632	0.3
281.00916	0.7
281.04449	0.3
282.01733	0.3
283.02487	0.9
283.06168	0.9
284.03256	0.5
284.06799	0.2
285.04108	0.6
293.04691	0.3
295.02490	0.6
295.06088	0.5
297.00647	0.5
297.04053	2.3
298.04837	5.6
299.02017	1.3
299.05603	2.5
300.02844	0.3
301.03549	0.3
307.06052	0.4
309.04153	0.8
310.04898	0.6
311.02148	0.3
311.05600	4.4
312.02731	0.4
312.06393	5.1
313.04123	0.2
313.07202	6.2
314.07571	0.3
317.04462	0.3
321.04056	0.3
323.05655	1.6
325.03619	0.2
325.07272	1.0
327.05124	2.6
333.04156	0.3
335.05563	0.3
337.03571	0.4
338.04370	0.5
339.05106	7.8
340.05594	0.5
341.02908	0.5
341.06638	3.7
342.07065	0.2
344.05350	0.7
345.04276	0.3
347.05743	0.4
351.05225	1.0
353.06717	2.2
357.06168	1.0
359.05814	0.3
361.03720	0.4
363.05130	0.4
365.06830	0.3
366.03894	0.2
367.04568	0.7
369.06183	31.2
370.06561	1.7
371.07675	0.7
373.03714	0.3
375.05029	0.6
379.04575	0.4
381.06171	3.4
383.07755	0.7
389.03098	1.0
391.04654	0.3
393.06189	0.5
395.07785	0.4
397.05643	0.3
399.07254	25.8
400.07556	1.4
403.04608	0.4
404.05200	0.3
405.06375	1.5
407.03983	1.4
409.05124	0.2
411.07263	3.5
412.07288	0.2
413.08875	0.8
417.02591	0.3
417.12161	0.8
418.03354	1.1
419.04074	3.9
420.04669	0.5
421.05649	1.1
423.07495	1.0
425.08694	0.2
429.08240	5.4
431.04202	0.5
433.01755	1.0
435.07214	0.4
441.08270	1.9
442.07993	0.2
443.09729	0.2
447.03693	0.6
447.22342	0.4
448.04401	0.7
449.05209	1.1
451.03067	0.4
453.08191	1.0
459.09460	2.9
471.09253	1.8
483.09076	0.3
489.10431	8.7
490.10736	0.7
501.10330	0.6
519.11426	1.7
561.12195	0.9
579.13593	100.0
580.13885	8.0
581.14587	0.2
583.05188	0.5
600.05591	0.3
601.06354	3.0
602.06537	0.3
611.10413	0.3
763.11652	3.2
764.12140	0.4
862.13727	0.2
909.17218	7.0
910.17438	1.2
1071.22644	15.1
1072.23206	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	1071.226
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01401	3.0
91.25677	0.6
95.01399	1.2
107.01402	10.5
109.02999	2.7
121.02966	2.6
123.00887	0.7
124.01662	2.5
125.02447	2.1
133.02988	1.1
134.03709	0.7
137.02417	0.6
139.04005	0.8
146.03754	1.2
148.01654	1.5
149.02473	2.8
151.00385	35.2
152.01155	6.2
153.01939	1.2
155.04942	0.6
159.04483	0.6
161.02452	1.5
163.00366	2.0
169.01407	2.0
169.02797	0.8
171.04579	1.0
174.03127	0.7
175.00359	1.6
175.03999	2.7
178.99867	40.4
179.07080	1.1
179.66304	0.6
180.00305	1.0
183.04503	0.9
185.02434	1.0
187.03999	0.9
189.01981	1.4
190.99875	1.8
191.03551	1.1
192.00648	3.2
193.01419	7.1
194.01752	0.6
197.02414	1.0
198.03236	1.2
199.03947	1.5
203.03487	5.7
211.03998	1.7
213.01923	1.2
214.02676	1.4
215.03522	2.4
225.02039	1.1
226.02753	2.9
227.03484	6.5
228.04169	0.9
229.01524	0.8
229.05014	1.3
231.02974	1.3
237.01958	3.0
239.03532	1.4
240.04121	1.0
241.01390	2.0
242.02177	1.7
243.02991	2.3
244.03703	0.7
245.04411	0.8
253.01479	3.5
254.02197	6.1
255.03023	10.2
256.03610	0.8
257.00717	0.8
259.02551	1.0
267.02994	3.0
269.00937	6.5
269.04745	0.8
270.01633	1.1
271.02493	11.4
272.02963	0.7
277.05154	0.6
279.03156	0.8
281.00891	3.0
282.01642	1.7
283.02527	3.8
284.03235	1.7
291.06598	0.7
293.04602	1.2
295.02408	3.2
296.03143	1.5
297.00647	1.1
297.04047	1.6
299.02023	5.0
300.02640	1.1
301.04636	0.5
305.04425	0.9
306.05273	0.7
309.03964	1.1
311.01981	1.9
312.02802	0.8
313.03625	0.7
317.04477	1.6
319.06100	0.8
321.04105	1.5
333.04108	1.6
335.02011	0.7
335.05728	1.6
337.03549	0.8
339.01416	0.7
341.03021	4.5
345.03925	1.8
347.05597	2.8
348.06522	0.7
349.03314	0.8
349.07156	0.8
351.05219	0.9
357.04227	0.6
361.03415	2.0
363.05103	2.1
365.03036	2.8
373.03625	1.2
375.05142	2.8
377.02786	1.0
379.04910	0.8
388.02185	0.9
389.03067	5.6
390.03528	1.6
391.04507	2.3
392.05328	1.2
393.06586	0.8
403.04526	1.7
404.05429	2.3
405.06406	8.9
406.03406	1.8
407.04135	9.1
408.04660	1.5
409.05469	1.9
417.02319	1.3
418.03284	0.9
419.04111	5.4
420.04724	1.7
421.05807	4.2
431.04144	1.3
432.01306	1.4
433.01968	7.6
443.12045	1.0
447.03439	1.8
449.05191	2.5
451.03018	2.5
465.04611	1.0
475.02734	1.3
479.02545	1.0
527.06281	0.7
555.05914	0.7
563.13843	2.2
569.09167	0.9
579.13519	1.1
583.05261	3.2
599.04315	1.1
600.05493	1.9
601.06250	12.9
763.11560	23.4
763.25391	1.3
764.11664	2.5
806.14215	0.7
909.17249	12.8
910.17468	1.1
1071.22607	100.0
1072.22949	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	1069.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
76.98181	0.2
83.01408	0.4
85.02953	0.5
89.02453	0.7
91.01882	0.3
93.03458	0.7
99.13670	0.2
99.30141	0.2
99.46186	0.2
101.02455	0.6
107.01392	1.2
108.02209	0.2
109.02943	0.4
112.93043	0.2
113.02464	0.9
117.03513	0.3
119.03505	0.2
125.02415	0.3
132.02179	0.3
135.00903	0.9
143.05026	0.4
151.00386	1.9
153.01945	0.3
154.04164	0.2
157.06627	0.4
159.04524	0.7
161.04575	0.5
163.00417	1.4
164.01163	0.4
165.01950	0.2
167.05046	0.3
169.06610	0.3
171.04515	0.5
173.06097	0.3
175.03986	0.2
178.99873	0.2
183.04478	0.4
184.05058	0.2
185.06070	1.3
187.04013	1.7
189.05608	0.7
193.75975	0.2
195.04599	0.4
197.06073	0.5
199.04039	0.8
201.05539	0.4
211.04027	1.5
212.04579	0.2
213.05597	1.2
223.04060	0.2
227.03510	16.8
228.03891	1.0
229.02806	0.4
229.05064	7.1
230.05457	0.4
239.03586	1.0
240.04300	0.3
241.05000	1.1
255.03004	33.0
256.03546	3.4
257.04562	3.8
258.04926	0.3
267.03033	0.5
269.04388	0.2
283.02615	0.4
283.05960	0.3
284.03284	43.8
285.04050	56.8
286.04398	2.6
327.05173	1.1
371.20700	2.2
389.22058	0.8
420.74365	0.2
431.22906	4.4
432.23212	0.4
593.15131	100.0
594.15454	10.8
594.23187	0.2
595.15570	0.6
796.89117	0.2
833.06567	0.2
1069.26501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0505
Annotation	o-Cresol
Peak:m/z	Relative Intensity
61.66575	0.6
65.01451	1.0
65.99844	1.3
71.53657	0.6
83.50262	0.6
84.19807	0.7
95.05074	1.7
106.04268	4.0
107.05043	100.0
108.02187	4.3
108.04568	13.8
108.05373	6.5
123.04540	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	1071.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01384	5.9
95.01353	1.7
107.01404	14.6
109.02986	3.5
111.00852	0.8
111.42422	0.7
113.02455	1.1
121.02966	3.0
123.04477	0.7
124.01682	2.8
125.02438	2.5
133.02980	4.6
137.02467	1.0
145.03008	1.2
146.03734	3.8
148.01653	1.3
149.02452	3.0
151.00386	43.6
152.01178	8.4
153.01981	4.8
161.02438	1.6
161.06117	1.6
163.00403	1.8
163.03983	1.8
166.64507	0.7
169.01468	4.7
173.02351	1.0
174.03227	0.7
175.00392	1.8
175.04031	3.7
177.01927	1.3
177.05544	0.8
178.99872	51.8
179.07149	4.3
180.00241	1.2
189.01944	1.0
190.99800	1.5
191.03476	1.1
192.00653	3.6
193.01425	8.2
197.02429	1.9
198.03221	1.1
199.03986	1.8
203.03580	3.7
205.01408	1.0
211.04033	2.1
213.01981	1.6
214.02719	1.6
215.03465	2.5
217.01570	1.3
225.01903	2.1
226.02631	3.9
227.03510	7.8
228.04269	2.1
229.01381	1.2
229.05026	1.1
237.01903	2.1
239.03455	2.3
240.04308	1.0
241.01439	2.5
242.02162	2.1
243.02972	3.2
245.04514	1.2
253.01521	5.2
253.05193	1.3
254.02159	5.8
255.02991	10.5
256.03699	1.3
257.00824	0.9
265.05032	0.8
267.02921	2.7
269.00946	15.5
269.03970	1.3
270.01581	2.0
271.02478	11.8
271.05142	1.4
272.02902	1.1
273.04272	0.7
281.00909	3.9
281.04160	1.6
282.01688	1.8
283.02478	5.2
284.03180	1.5
285.04187	1.1
293.04507	1.8
295.02527	2.0
296.03113	1.0
297.00528	1.8
297.04053	3.5
298.01523	1.2
298.04639	4.2
299.01965	6.8
299.05194	1.8
300.02606	0.9
304.03821	1.0
305.04776	1.3
307.06195	1.0
309.04062	1.9
311.01959	2.3
311.05585	2.9
312.03192	0.9
312.06320	3.9
313.03702	1.6
313.07245	3.6
317.04648	1.7
319.02386	1.0
319.06030	1.5
323.05530	0.9
325.06891	0.9
327.05081	2.4
331.06308	1.0
332.03537	1.1
333.03983	1.8
334.04999	0.9
335.05759	2.0
339.05093	5.9
341.03021	4.0
341.06836	2.0
345.04068	1.3
347.01776	1.1
347.05609	3.1
349.03418	1.1
351.05261	0.9
353.06647	3.0
361.03412	2.4
363.05099	2.9
365.03012	2.1
369.06168	22.3
370.06543	1.5
373.03735	1.9
375.05191	3.3
377.03015	1.4
379.04440	0.9
381.06250	2.8
389.02985	6.8
390.03668	1.6
391.04602	2.4
392.05420	1.6
393.06256	1.5
399.07260	15.9
400.07681	1.7
401.02966	1.1
403.04816	1.6
404.05386	2.9
405.06235	9.6
406.03149	1.8
407.04105	8.8
408.04611	0.9
409.05527	1.8
411.07324	2.1
417.02356	1.3
418.03253	2.9
419.04114	16.3
420.04672	2.5
421.05627	6.1
429.02832	0.9
429.08292	3.5
431.04169	1.8
433.02039	6.1
447.03726	2.8
448.04352	2.4
449.05347	4.3
451.03174	1.3
459.09445	1.1
461.01682	0.9
489.10379	6.3
519.11713	1.3
579.13586	72.2
580.13806	6.4
583.05023	3.6
600.05774	1.9
601.06146	17.3
602.06183	1.1
763.11481	17.8
764.11896	1.7
909.17310	31.1
910.17511	4.5
1071.22656	100.0
1072.22949	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	1067.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00877	6.5
81.03470	0.3
83.01389	2.3
83.10685	0.1
84.02164	0.2
85.02957	12.8
86.00105	1.3
86.03305	0.2
87.00882	6.5
87.04525	1.4
89.02455	4.1
95.01393	3.5
96.96017	0.4
97.02950	1.6
99.00891	8.3
99.04525	0.2
101.02453	6.1
103.04022	1.3
107.05053	0.2
109.02974	0.3
111.00882	0.3
112.01671	0.7
113.02459	8.1
115.00382	0.3
115.04017	1.7
119.03501	1.1
121.02949	0.1
125.02462	3.1
127.04017	0.4
129.01970	0.2
131.03513	3.3
139.00391	1.0
143.03506	3.4
145.05080	0.7
157.01431	0.8
161.04538	0.5
163.06134	1.6
165.01935	0.1
175.07587	0.3
193.01436	0.3
201.05617	0.2
205.07169	2.5
208.03796	0.5
211.13344	0.2
214.70221	0.1
219.06650	0.8
223.06123	1.1
247.08258	0.3
301.06992	0.2
314.16351	0.1
425.12167	0.2
472.66846	0.1
563.37384	0.2
723.40894	0.2
732.99445	0.1
733.44904	0.3
741.42096	0.5
879.51440	0.3
897.57178	0.1
1005.53931	0.3
1049.53027	1.7
1050.52185	0.3
1067.54321	100.0
1068.54700	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	1067.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00878	0.2
83.01389	1.1
85.02966	1.5
87.00867	0.5
89.02457	3.4
93.03444	0.3
95.01402	0.4
101.02456	4.5
109.03001	0.2
113.02463	2.6
115.00395	0.4
117.03465	7.7
117.04286	0.5
118.03835	0.5
119.03522	0.8
119.05056	0.2
126.11612	0.2
131.01407	1.4
131.03490	0.3
133.02977	0.3
134.03745	0.2
137.02452	0.3
143.03529	0.5
145.02960	0.3
149.04559	0.8
151.00349	0.3
152.99232	0.2
161.02448	0.8
161.04565	1.0
163.00345	0.2
163.04039	0.7
164.61632	0.2
173.02454	4.5
174.02859	0.3
175.00375	8.2
175.02649	0.5
176.00720	0.6
179.03673	0.2
181.65237	0.2
193.06601	0.3
221.06429	0.6
227.03499	0.2
237.05624	0.5
246.06796	0.2
249.05621	1.2
250.05893	0.2
255.03044	0.8
265.05118	0.8
268.03775	0.4
269.04523	3.3
270.04947	0.3
271.02487	0.4
279.06598	0.2
281.04510	1.8
282.05334	2.0
283.02475	0.8
283.06085	3.1
284.03271	0.4
284.06277	0.2
285.04025	0.5
292.03839	0.2
293.04581	100.0
294.04932	13.0
295.05219	3.6
297.04065	0.3
299.02124	0.4
299.05566	0.4
300.02771	0.4
301.03195	0.2
307.05920	0.3
309.04196	0.2
310.04602	0.4
311.05624	6.8
312.06055	0.6
313.06302	0.4
314.04346	0.8
323.05627	2.0
325.06915	0.2
327.05057	0.8
335.05576	1.1
341.06583	1.0
353.06650	0.7
355.07642	0.3
357.06363	0.4
365.06577	0.3
383.07751	0.4
387.20160	0.6
413.08801	28.3
414.09103	3.9
415.09247	1.3
429.21567	1.2
431.09549	0.5
447.09381	0.9
473.11002	1.3
474.11249	0.2
488.67908	0.2
563.14288	0.5
577.15222	0.3
593.15143	87.1
594.15491	16.2
595.15662	8.1
596.15906	0.5
1067.33362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.6009
Annotation	Unknow
Peak:m/z	Relative Intensity
108.02202	0.1
119.05054	0.2
121.02957	0.2
134.03786	0.3
137.02440	0.2
149.02458	0.9
149.06065	2.0
161.02480	0.7
189.09225	0.4
191.10680	0.2
211.11273	0.2
212.08310	0.2
225.09216	41.8
226.09550	1.8
237.09210	10.3
238.09557	0.7
239.10820	0.8
240.11581	0.4
265.12207	0.3
269.08252	0.2
272.10477	0.8
279.13992	0.3
280.14633	0.3
281.08301	0.7
295.17041	48.3
296.17383	2.8
324.13608	0.3
339.16006	100.0
340.16333	5.5
562.35120	0.1
701.30963	4.1
702.31384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.237
Annotation	Unknow
Peak:m/z	Relative Intensity
73.75220	0.1
77.30205	0.1
83.01382	0.1
84.00606	0.1
91.01863	0.1
96.95976	0.1
101.02436	0.3
107.01438	0.1
122.64117	0.1
126.40234	0.1
129.03581	0.1
132.02171	1.3
134.03734	0.1
135.00885	0.6
151.00381	0.1
154.04260	0.1
162.78674	0.1
179.48325	0.1
180.05858	0.1
183.04672	0.1
184.05397	0.2
195.04483	0.4
196.05354	0.4
198.03229	0.1
199.04013	0.1
200.04791	0.1
211.04010	1.0
212.04784	0.6
223.04047	0.9
224.04745	1.4
225.01625	0.1
225.05222	0.1
226.02786	0.9
227.03526	0.1
236.04674	0.1
237.05576	0.1
238.06386	0.2
239.03499	4.2
240.04250	1.6
250.02699	0.1
251.03447	0.1
252.04269	1.8
253.05019	0.3
254.05949	0.5
266.48425	0.1
267.03003	5.1
267.06476	0.6
268.03778	48.2
268.49335	0.1
269.04120	2.2
269.08325	0.1
281.04611	0.2
282.05325	1.1
283.06137	100.0
284.06461	4.5
284.09674	0.1
285.07541	0.2
290.05899	0.3
295.06091	0.2
296.06888	0.2
297.07739	0.6
305.08124	0.8
307.06210	0.2
310.04916	0.3
311.05640	0.2
325.07202	6.2
326.07785	0.4
349.07370	0.5
367.08142	0.4
427.09900	0.1
487.13129	0.1
527.47211	0.1
903.92480	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	1061.5703
Annotation	Unknow
Peak:m/z	Relative Intensity
96.75487	0.2
107.05061	0.3
141.07126	0.3
167.08710	0.3
169.06633	1.1
173.09741	0.3
175.11342	0.5
179.08685	1.8
180.05893	0.3
181.10257	0.3
191.08693	0.3
193.06575	0.2
193.10184	1.2
195.08142	0.7
196.08841	0.3
204.18286	0.2
209.06068	0.3
210.06900	0.3
211.07683	3.0
221.06146	0.4
222.06870	0.4
223.07654	27.7
224.08344	4.5
225.09187	3.3
229.17856	0.2
235.07651	6.5
236.08304	0.8
237.09216	19.0
238.09528	0.7
251.07231	0.2
256.07349	0.6
261.09198	1.4
262.10037	0.2
263.10767	0.7
266.09470	0.2
267.06622	0.9
275.10788	3.5
276.11414	0.6
281.11847	0.2
294.09106	0.2
313.14496	0.2
327.17572	0.4
343.17065	1.8
344.17587	0.2
345.18597	20.8
346.18890	1.5
361.18210	0.3
363.19635	3.9
364.19922	0.2
405.17050	0.6
406.17453	0.4
407.18649	100.0
408.18979	6.1
479.26532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00931	0.4
83.01405	1.6
85.02957	0.8
87.00841	0.4
89.91650	0.3
93.03468	1.0
93.90928	0.4
95.01417	0.5
96.96009	1.0
99.00906	0.3
101.02474	0.9
101.95358	0.4
107.01408	2.5
113.02448	0.9
117.03453	1.3
121.03023	0.3
132.02174	2.6
134.03738	1.1
135.00897	1.0
136.01671	0.9
137.02425	0.5
143.05106	0.5
145.02968	0.6
151.00378	7.2
151.03979	1.1
152.01154	0.6
153.01967	0.4
155.04987	0.4
159.04504	1.1
160.01675	4.0
163.00381	1.3
164.01103	0.8
167.04996	0.4
169.01411	0.6
171.04594	1.0
175.03984	2.1
177.01863	0.3
178.99884	1.9
182.03770	0.6
182.86887	0.4
183.04523	3.0
185.02509	1.0
185.06107	0.8
187.04005	1.2
189.05589	0.5
193.05081	0.6
197.06036	0.3
199.03966	0.7
200.04765	0.4
200.61789	0.3
201.05515	0.4
211.04005	3.9
212.04646	0.5
213.05650	0.7
227.03502	36.4
228.03973	1.8
229.04985	2.1
239.03502	0.9
240.04253	0.5
255.02997	89.4
256.03568	7.3
257.04550	2.5
267.02975	0.4
268.03818	0.5
269.04596	2.0
283.02499	43.3
284.03268	99.8
285.04022	29.5
286.04456	1.1
299.05444	0.6
309.04163	0.7
327.05148	1.1
328.63123	0.4
339.05148	0.5
342.10880	0.4
352.05411	0.4
357.13684	2.1
473.10703	0.4
498.17709	0.4
503.32281	1.0
529.76465	0.4
575.13922	1.7
606.13898	3.7
607.14130	1.3
739.20966	100.0
740.21368	9.7
753.22675	0.7
838.36975	0.4
867.25354	0.5
915.25531	5.8
924.74860	0.4
1060.54980	0.8
1061.31384	33.2
1062.31738	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	1061.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01408	0.1
85.98015	0.1
89.15919	0.1
91.01951	0.2
101.02457	0.3
102.51810	0.1
108.02176	0.1
132.02176	2.5
135.00879	0.7
153.01976	0.1
155.05078	0.1
167.05055	0.3
167.39793	0.1
180.05824	0.1
182.66409	0.1
183.04512	0.5
195.04509	3.4
196.05188	0.3
204.48793	0.1
208.05324	1.7
209.05664	0.1
210.03239	0.2
210.06905	0.4
211.04001	1.2
221.06096	0.1
223.04022	6.4
224.04764	2.2
225.05482	0.3
226.06311	0.1
236.04828	0.6
237.05573	0.1
238.02669	0.1
238.06256	0.1
239.03511	13.4
240.03827	0.5
248.04797	0.2
251.03525	4.2
251.07185	1.0
252.04294	57.0
253.04668	3.0
253.08559	0.1
254.05856	8.5
255.06204	0.4
264.04221	0.1
266.02228	0.2
266.05682	0.1
267.03433	3.2
267.06628	100.0
268.06964	5.1
268.36359	0.1
269.08160	0.2
274.06378	0.1
281.04651	0.3
281.08240	0.6
282.05353	35.2
283.05722	1.6
289.08694	0.3
292.03909	0.2
295.06216	0.7
296.06860	0.2
297.07687	51.3
298.08029	3.0
304.07275	0.2
307.06100	1.4
309.07693	1.3
310.07956	0.1
311.09271	0.2
319.09799	0.2
333.12665	0.1
339.08701	1.0
351.08850	0.1
354.91769	0.1
453.54501	0.1
462.69788	0.1
575.09680	0.1
866.55151	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	1059.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02464	0.1
91.01891	0.6
96.95982	0.1
101.02438	0.3
117.03525	0.3
117.52068	0.1
132.02199	0.3
133.02954	0.6
135.00885	0.9
147.01190	0.1
148.05353	0.5
150.03300	0.2
153.01944	0.3
161.02518	0.1
163.07648	0.5
167.05057	0.4
169.06648	0.3
180.05783	0.4
181.06615	0.4
183.04564	0.2
185.06067	0.5
195.04482	0.8
196.05296	0.3
197.06082	0.8
208.05295	1.1
209.06065	2.0
211.04025	0.5
223.04034	1.0
224.04779	1.7
225.05591	1.9
226.05807	0.1
235.04082	0.3
236.04625	0.2
237.05467	0.3
249.05486	0.1
251.03499	1.7
252.04282	2.5
253.05067	29.0
254.05441	1.4
255.06511	0.1
265.04993	0.7
267.06662	0.5
268.03760	0.2
279.03107	1.1
280.03729	0.2
281.04562	100.0
282.04907	5.3
283.06091	0.2
295.06161	0.3
296.03290	0.2
303.06775	0.3
309.04111	0.4
311.05646	0.4
323.05609	1.5
380.12268	0.1
397.12872	0.4
398.13165	0.4
431.60278	0.1
734.42468	0.2
1058.53748	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73534	0.5
51.26281	0.5
58.33767	0.6
60.20422	0.6
64.01925	18.9
64.20670	0.5
65.01453	29.9
65.99847	1.0
66.01744	0.6
71.31562	1.3
73.63414	0.5
106.04121	100.0
107.02533	0.9
107.03660	8.7
107.04461	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	1057.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
76.33309	0.4
83.08541	0.4
118.57912	0.4
138.42760	0.4
149.02397	0.5
149.06097	0.4
152.75359	0.4
192.11549	0.4
193.06540	0.5
212.08400	0.7
223.07599	1.4
225.09224	13.6
226.09540	0.7
227.10727	1.9
237.09253	3.5
239.10614	0.5
243.35912	0.4
267.03589	0.5
287.06284	0.4
292.11142	0.9
293.15512	0.5
295.17035	8.9
296.17258	0.5
299.02591	0.4
299.05981	0.9
301.07364	0.5
304.56372	0.4
310.17389	0.4
334.72974	0.4
339.15994	5.0
349.07565	0.5
395.11777	1.4
399.08835	0.4
421.10922	0.5
423.12723	0.6
427.09003	0.5
431.12216	0.4
433.12817	0.7
437.10489	0.5
443.09460	0.8
445.11188	0.8
447.12619	0.5
451.11942	0.6
465.14038	0.8
473.10767	0.7
475.12491	0.8
477.13303	1.2
479.15457	1.1
489.13034	0.4
493.17178	0.8
503.11819	0.6
505.13474	1.3
507.14767	3.8
509.16293	3.1
511.17996	6.9
512.18524	0.7
513.15723	0.4
519.14496	0.6
521.17126	2.0
525.15765	3.5
526.16296	0.5
531.15588	0.6
535.18188	5.8
536.18890	0.5
541.16547	0.8
545.15887	0.4
551.14166	1.2
553.15350	0.8
555.17261	3.9
556.17365	0.5
557.20215	4.7
559.18494	0.7
561.19171	0.5
565.15735	1.0
567.20264	1.2
573.19531	1.5
575.21185	6.7
577.22809	12.3
578.22827	1.2
579.16901	1.4
579.25250	2.4
581.19580	0.8
587.18762	0.4
589.18866	2.7
591.20685	2.6
593.20990	0.5
595.21490	0.5
603.20605	3.8
607.21454	0.7
615.20752	7.4
616.21008	1.0
617.20135	0.5
619.20026	2.8
621.21826	5.3
622.22522	0.4
623.24518	3.5
624.25543	0.5
625.26617	2.9
626.26019	0.5
639.24597	0.5
641.25995	1.0
643.26837	1.9
645.29443	2.4
646.29211	0.6
647.30707	0.6
657.25629	0.5
673.28540	16.3
674.28625	1.5
677.20959	0.4
687.26660	0.8
689.27972	1.0
717.27490	73.1
718.27869	8.4
735.28802	2.4
769.69867	0.5
779.27606	7.6
780.27832	0.6
1057.44299	100.0
1058.44617	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	1053.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02951	3.8
75.00880	9.3
75.01311	0.5
81.03457	0.5
83.01385	1.7
85.02959	18.9
86.00107	1.6
87.00890	7.0
87.01702	0.2
87.04531	1.7
89.02454	2.4
93.00311	0.2
94.69843	0.2
95.01398	8.5
96.96015	1.3
97.02966	3.2
98.14298	0.2
98.19971	0.3
99.00890	14.9
99.04511	0.4
101.02464	2.6
103.04008	1.1
109.02950	0.2
111.00854	0.7
112.01675	0.7
113.02462	14.9
115.00391	0.3
119.03465	0.5
123.00906	7.9
125.02459	2.9
131.03520	6.2
139.00392	0.7
141.01956	3.7
143.03506	4.1
145.05067	0.8
145.42503	0.2
157.01439	1.0
163.06119	0.9
179.42184	0.2
205.07188	2.2
216.02098	0.2
247.08232	0.3
262.37543	0.2
345.27585	0.2
437.34241	0.2
457.36804	0.5
501.35645	0.3
566.73694	0.3
581.38550	0.3
757.42065	0.3
911.50647	0.3
1009.53607	1.5
1010.53204	0.4
1017.51630	1.3
1018.51990	0.4
1035.51794	100.0
1036.51990	17.5
1053.52881	41.9
1054.53186	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	1055.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
75.64822	0.4
83.01380	0.6
85.02980	0.4
89.02455	0.4
93.03458	0.5
98.20654	0.8
101.02483	0.3
107.01388	2.3
108.02172	1.7
109.02975	1.2
111.00988	0.4
113.02441	0.4
121.02970	1.2
124.54745	0.3
125.02480	0.5
133.02977	0.8
134.03716	0.4
135.00890	1.0
135.04521	0.3
148.01678	0.7
149.02463	0.6
149.04538	0.6
151.00381	7.1
152.01144	1.3
158.18819	0.4
160.05296	0.8
161.02502	0.4
161.06149	0.4
163.00369	1.7
163.04050	0.4
164.01173	0.6
165.01846	0.4
171.04523	0.4
175.03999	0.3
175.07599	1.0
178.99870	3.4
187.03917	0.5
199.04016	1.1
211.03944	1.0
213.02286	0.3
215.03586	0.4
226.02701	0.6
227.03522	2.5
229.04994	0.7
240.19113	0.3
243.03027	6.3
245.04617	0.8
254.02148	1.3
255.03012	17.9
256.03568	1.2
271.02493	37.5
272.02972	2.6
273.04102	0.6
281.04538	0.3
283.02423	1.3
284.03278	9.4
285.04053	20.4
286.04291	1.0
299.01953	1.5
299.05402	0.7
300.02771	70.6
301.03522	27.7
302.03799	1.3
327.05124	1.0
329.13962	6.0
359.14929	1.7
401.73587	0.3
447.09360	18.4
448.09729	1.2
463.08987	1.8
505.09921	100.0
506.10211	7.2
507.10675	0.4
516.23145	0.4
593.15302	0.5
607.12616	0.5
615.39136	0.3
623.16589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01375	0.9
91.01900	0.2
92.75403	0.2
93.03439	0.2
94.80908	0.2
107.01392	2.4
108.02207	0.7
109.02969	0.8
121.02979	1.2
124.01669	0.2
132.02145	0.2
133.02960	2.0
134.03738	0.2
135.00896	0.6
136.25995	0.2
137.02489	0.2
142.24825	0.2
148.01686	0.8
149.02432	0.7
151.00380	7.6
153.01892	0.3
163.00394	1.4
163.04048	0.2
167.48427	0.2
169.01407	0.3
175.04045	1.2
177.01941	0.4
178.99876	2.4
183.04594	0.3
183.06551	0.2
185.06052	0.4
187.04008	0.5
188.04495	0.2
190.99922	0.3
198.03171	0.3
199.04010	1.4
201.01875	0.5
201.05589	0.2
209.11903	0.2
211.04068	0.8
212.04691	0.2
213.05632	0.2
215.03560	0.5
216.04048	0.4
217.05070	0.8
226.02733	0.7
227.03519	3.1
228.04062	0.3
229.05078	0.6
229.64996	0.2
239.03432	0.4
240.70628	0.2
241.01599	0.3
241.05113	0.5
242.01880	0.5
243.02992	4.9
243.05341	0.4
244.03256	0.2
245.01068	0.3
245.04529	0.8
254.02278	1.2
255.02994	16.9
256.03680	2.2
257.04538	0.6
267.03043	0.2
269.13876	0.3
270.01715	0.6
271.02487	29.5
272.02963	1.6
273.03812	0.5
283.02545	1.1
284.03278	37.3
285.04047	50.1
286.04379	2.4
298.01251	0.2
299.01984	0.8
300.02756	48.8
301.03503	22.7
302.03857	0.9
309.04062	0.6
327.05142	1.2
329.13919	0.2
346.71155	0.2
361.16727	0.3
429.08350	0.5
447.09253	3.0
448.10040	0.3
449.20038	1.1
461.07275	0.8
462.07642	0.6
463.08838	53.6
464.08997	3.2
593.15125	100.0
594.15509	8.7
609.14758	0.6
844.30267	0.2
1020.17548	0.2
1020.44574	0.2
1057.36035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99307	1.5
73.02949	3.1
75.00883	5.7
80.69685	0.3
81.03503	0.4
83.01391	2.5
85.02961	7.7
86.00123	0.7
87.00874	4.8
87.04521	1.4
87.41798	0.3
89.02456	3.6
94.18221	0.3
94.55781	0.4
95.01398	2.3
96.96026	2.0
97.02953	2.8
99.00893	6.8
99.04534	0.4
101.02448	6.4
103.04005	1.4
105.86387	0.3
113.01719	0.5
113.02464	5.8
115.04006	1.2
119.03517	1.1
125.02467	5.1
131.03520	2.4
139.00357	0.5
143.03503	3.5
157.01381	0.7
161.04634	0.7
163.06110	1.3
190.60179	0.4
205.07198	2.8
247.08282	0.5
298.75464	0.4
397.13223	0.4
403.68942	0.4
565.38934	0.7
576.53058	0.4
694.11090	0.4
725.43317	0.6
846.38739	0.4
1033.53333	3.4
1051.54919	100.0
1052.55225	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	1051.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
75.15215	0.2
91.05563	0.3
93.03483	0.3
96.96013	0.3
98.19883	0.5
106.04265	0.3
107.05035	0.8
108.02222	0.3
116.92889	0.4
117.07154	0.3
121.02976	0.6
122.03687	0.2
130.04224	1.1
131.70746	0.2
133.02959	0.3
134.03767	1.5
135.04541	36.6
136.01712	0.7
136.04868	6.7
137.02492	0.4
137.05008	0.6
143.05095	0.6
145.06621	0.9
145.76602	0.2
147.04549	0.3
148.05318	7.6
149.02449	0.6
150.03174	0.2
151.03975	0.3
157.06616	0.7
157.40147	0.2
158.07310	0.3
159.04500	0.3
159.08163	0.7
161.02457	1.9
161.06146	0.3
162.02959	0.4
163.04010	1.1
164.01137	0.3
171.08189	1.0
172.05353	0.2
173.06039	0.5
179.08739	0.4
180.04376	0.4
185.06120	0.5
193.10310	0.3
195.11807	3.5
196.12227	0.3
197.09787	0.4
201.05515	0.3
213.09280	0.6
217.05057	0.3
225.09232	4.8
226.09882	0.8
227.06862	0.3
227.10718	0.3
227.14410	0.7
229.03372	0.2
237.09225	2.4
238.09666	0.6
239.10791	74.5
240.11148	3.1
264.11389	0.2
265.04773	0.3
269.08270	1.1
270.08652	0.3
271.13449	4.8
272.13712	1.7
273.14117	0.3
276.11594	0.5
277.12183	0.5
289.14471	5.9
290.14810	1.9
291.15060	0.4
320.10153	0.3
345.18640	3.4
346.18982	1.1
347.20123	2.1
363.19809	1.1
364.20096	0.8
365.21097	1.3
366.21671	0.3
389.17715	0.9
390.17874	0.6
391.18918	0.6
407.18668	33.8
408.19009	18.3
409.20187	100.0
410.20538	6.9
487.50946	0.2
639.57837	0.2
1051.43018	2.0
1052.41418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
89.04018	0.2
91.05531	0.6
93.03490	0.2
103.28616	0.1
105.32249	0.1
106.04266	0.4
107.05061	0.9
108.02206	0.3
109.02950	0.2
117.03436	0.3
117.07112	0.3
121.02953	0.4
130.04248	1.7
131.04642	0.3
133.03000	0.3
134.03763	2.4
135.04538	49.7
136.01680	0.3
136.04868	8.1
137.02473	0.2
137.05020	0.7
143.05078	0.8
144.05817	0.3
145.06606	1.4
146.06955	0.2
147.04565	0.2
148.05319	7.9
149.02463	0.7
149.05615	0.2
150.03154	0.2
151.04045	0.4
157.06601	0.9
158.07274	0.3
159.04544	0.2
159.08151	0.9
160.08592	0.2
161.02458	1.4
161.06059	0.2
162.03160	0.5
163.04027	1.1
164.01089	0.2
165.01910	0.2
169.06459	0.1
171.08163	1.6
173.06076	0.5
179.03482	0.2
179.08626	0.4
180.04321	0.4
187.04045	0.5
193.10295	0.2
195.11806	3.6
197.09752	0.5
201.05621	0.4
201.08939	0.1
202.06215	0.2
211.11284	0.2
213.09264	0.6
214.68251	0.1
225.09232	3.7
225.81012	0.1
226.10022	0.5
227.10756	0.5
227.14435	0.9
228.14735	0.2
237.09270	0.7
238.09827	0.2
239.10788	78.5
240.11108	3.9
263.10822	0.2
269.08301	0.5
271.13416	8.3
272.13742	2.5
273.14038	0.6
277.12183	0.4
289.14484	6.2
290.14871	2.1
291.14917	0.4
305.08221	0.2
320.10486	0.3
345.18677	0.5
346.19019	0.3
347.20303	1.7
363.19656	0.3
365.21091	1.2
389.17679	1.0
390.17874	0.5
391.19028	0.8
407.18652	32.5
408.19006	18.4
409.20175	100.0
410.20557	6.1
410.25662	0.2
462.24042	0.2
482.15424	0.2
746.28052	0.2
908.16913	0.2
908.74493	0.2
924.10126	0.2
1051.43164	1.4
1054.63525	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
79.02512	0.3
89.91954	0.3
98.19976	0.5
102.17812	0.4
149.02425	0.3
186.15002	0.3
223.07655	0.5
225.09276	2.6
227.10768	0.6
235.07903	0.4
237.09097	1.5
253.12302	0.4
261.12766	0.4
269.06537	0.4
277.12354	0.9
283.08145	1.0
285.09845	0.4
293.15494	3.1
295.08167	0.9
295.16986	1.6
321.05948	0.7
337.12946	1.5
339.15887	1.1
353.16266	2.0
379.14026	1.5
393.78470	0.4
446.12015	0.6
453.15695	0.7
455.17200	1.4
461.15826	0.5
467.16776	0.7
493.18890	1.4
495.20328	5.5
496.20670	0.5
503.17059	1.1
505.18542	2.1
506.19366	0.5
515.17078	0.8
521.21838	1.6
531.20160	0.6
545.21619	0.6
551.22937	0.5
555.19928	0.5
559.23438	1.2
561.24988	8.6
562.25000	0.6
563.26544	8.7
564.26721	1.5
571.23218	1.3
573.25287	2.9
587.22406	1.9
589.28241	2.6
599.22778	4.5
600.22620	0.7
601.28009	0.4
627.29919	2.6
629.31238	21.0
630.31799	2.9
631.32764	14.4
632.33203	1.7
657.30743	58.4
658.31171	6.1
701.29730	100.0
702.30011	12.9
1041.46985	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	1041.6029
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	2.1
75.00882	6.6
75.54339	0.4
83.01385	1.1
85.02963	10.9
86.07706	0.5
87.00887	2.8
89.02448	1.3
95.01378	2.3
96.96013	1.1
99.00896	3.6
101.02448	0.6
103.00394	1.0
113.01727	0.8
113.02464	11.9
114.02855	0.5
114.48506	0.4
115.00349	0.8
117.01954	1.2
129.01947	0.9
131.03546	0.5
152.70012	0.5
175.02505	1.4
198.87787	0.5
249.06247	2.6
267.07138	2.9
277.21738	29.6
278.22095	1.1
509.26990	0.8
527.28650	100.0
528.21710	0.5
528.29089	6.7
704.93085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99315	1.7
73.02951	2.8
75.00877	4.5
80.96008	0.2
83.01393	2.1
85.02958	12.6
86.00101	1.1
87.00880	5.0
87.04517	1.1
88.98801	0.3
89.02456	3.1
95.01400	2.9
96.96026	1.7
97.02949	0.6
99.00889	8.5
101.02451	6.6
103.04006	1.0
107.04932	0.3
111.00868	0.3
112.01673	0.7
113.02462	9.1
115.04011	1.1
117.31871	0.2
119.03531	0.7
125.02471	0.5
127.04032	0.3
131.03522	2.3
135.75949	0.2
139.00365	0.9
143.03494	3.3
145.05040	0.4
157.01434	0.8
161.04601	0.7
163.06142	1.1
183.29817	0.2
205.07153	1.7
296.64490	0.3
327.47318	0.3
391.30325	0.4
452.95905	0.2
518.94354	0.3
717.42419	0.9
912.66962	0.3
935.98236	0.3
967.53113	0.6
981.55054	0.8
1025.52478	1.4
1043.54395	100.0
1044.54724	15.6
1055.13940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	1.1
96.96007	0.7
103.36874	0.5
105.03466	0.7
107.05047	2.4
108.02211	0.7
110.39311	0.5
120.98235	0.4
121.02958	1.3
122.03780	0.7
134.03728	1.1
135.00873	0.8
135.04546	4.7
137.02466	0.8
144.05818	1.1
145.03017	0.6
146.03790	0.6
147.04549	0.8
149.02519	2.5
159.04503	1.4
159.08163	1.6
161.02477	4.1
162.03198	2.7
172.05334	0.5
174.03215	1.2
175.02547	1.0
175.04010	13.2
175.07619	1.7
185.06151	1.0
186.06796	0.8
188.04785	3.4
192.04500	0.5
193.05156	0.5
201.05585	1.0
203.03508	1.5
203.07155	19.0
205.08722	0.8
211.11232	0.8
218.05902	0.6
220.03825	3.2
223.07442	0.8
225.09224	27.5
226.09923	7.0
227.10649	0.6
237.09258	4.2
238.09969	1.2
239.10750	1.9
241.12437	0.6
248.61778	0.5
249.12785	1.4
251.10785	100.0
252.08289	0.9
252.11116	4.8
253.08780	0.6
253.12425	2.2
265.08646	0.9
269.08231	1.9
275.10794	1.8
276.11551	1.7
277.12350	3.4
279.10300	19.5
280.10715	1.3
281.15430	1.6
282.12744	3.5
283.09698	0.9
291.13824	2.3
294.12646	26.2
295.09714	0.6
295.12921	1.7
297.14975	10.1
298.15259	0.6
303.10309	1.4
309.14981	49.4
310.15353	2.2
321.11151	0.8
341.13846	3.3
353.13962	95.4
354.14331	5.1
371.14984	6.6
661.86688	0.5
668.99316	0.5
839.54401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02950	0.2
83.01402	0.8
85.90530	0.2
89.42503	0.2
98.20773	0.3
105.03426	0.2
107.01405	2.0
109.02934	0.4
120.87399	0.2
121.02963	0.6
125.02435	0.3
132.02223	0.4
133.02960	3.7
134.03746	0.9
148.01686	0.3
149.02449	1.3
149.99623	0.3
151.00391	4.5
159.04555	0.2
163.00453	0.3
171.04507	0.3
175.04047	2.0
177.01949	0.5
183.04510	0.5
185.06068	0.7
187.04050	0.4
189.05548	0.4
197.06174	0.3
198.03203	0.3
199.04005	2.0
200.04694	0.4
201.02003	0.5
211.03955	1.1
212.04820	0.3
213.05547	0.7
215.03534	0.5
217.05016	0.9
227.03525	6.1
227.05728	0.4
228.04065	0.6
229.05008	1.0
229.45302	0.3
239.03549	0.7
240.04298	0.2
241.05000	0.6
243.02960	0.9
255.02997	10.0
256.03748	3.9
257.04520	0.9
283.02441	0.6
284.03284	69.2
285.04047	100.0
286.04422	4.6
297.03964	0.3
299.05472	0.3
300.02951	0.4
327.05087	1.1
429.08331	0.4
447.09360	45.6
448.09647	3.2
463.08780	0.3
464.09274	0.2
473.10989	0.2
593.15131	98.2
594.15479	9.3
620.83716	0.2
836.60370	0.2
895.17157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	1.6
73.02955	4.3
73.68912	0.3
74.99942	0.3
75.00879	7.7
81.50191	0.3
83.01398	2.8
83.11689	0.3
85.02959	13.7
86.00111	1.1
87.00891	5.6
87.04523	1.7
89.02439	2.4
95.01409	2.1
96.96035	2.1
97.02963	8.7
99.00890	8.6
101.02441	1.9
103.04008	0.7
106.70866	0.3
111.00892	0.5
113.02457	6.9
115.00372	0.6
115.03986	1.3
119.03510	0.4
125.02454	12.4
131.03510	4.3
139.00386	0.5
142.02695	0.3
143.03491	3.4
145.05051	0.5
157.01413	0.5
163.06134	0.7
205.07198	1.6
315.12442	0.5
328.72940	0.3
360.26285	0.3
1019.52350	2.3
1037.53357	100.0
1038.53601	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	1041.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01405	0.8
99.51933	0.6
107.01372	2.1
108.02224	0.6
121.54203	0.6
125.02475	0.7
151.00381	7.7
163.00417	1.4
164.40335	0.7
166.84059	0.7
171.04559	0.6
178.99886	4.7
199.04042	0.8
203.42543	0.7
226.02794	1.1
227.03551	2.5
243.03046	5.6
254.02223	1.8
255.02994	13.5
256.03479	0.8
266.02350	0.7
269.04333	0.7
271.02490	32.3
271.05469	1.6
272.02914	2.4
273.04102	0.8
283.02600	1.2
283.05722	0.9
299.01935	2.5
300.02762	64.3
301.03488	23.6
302.03860	1.4
311.05618	1.9
431.09888	1.8
608.13232	0.8
609.14636	100.0
610.14996	8.4
858.66461	0.7
921.21295	0.8
1009.71265	0.9
1041.25647	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	1041.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02950	0.2
83.01402	0.8
85.90530	0.2
89.42503	0.2
98.20773	0.3
105.03426	0.2
107.01405	2.0
109.02934	0.4
120.87399	0.2
121.02963	0.6
125.02435	0.3
132.02223	0.4
133.02960	3.7
134.03746	0.9
148.01686	0.3
149.02449	1.3
149.99623	0.3
151.00391	4.5
159.04555	0.2
163.00453	0.3
171.04507	0.3
175.04047	2.0
177.01949	0.5
183.04510	0.5
185.06068	0.7
187.04050	0.4
189.05548	0.4
197.06174	0.3
198.03203	0.3
199.04005	2.0
200.04694	0.4
201.02003	0.5
211.03955	1.1
212.04820	0.3
213.05547	0.7
215.03534	0.5
217.05016	0.9
227.03525	6.1
227.05728	0.4
228.04065	0.6
229.05008	1.0
229.45302	0.3
239.03549	0.7
240.04298	0.2
241.05000	0.6
243.02960	0.9
255.02997	10.0
256.03748	3.9
257.04520	0.9
283.02441	0.6
284.03284	69.2
285.04047	100.0
286.04422	4.6
297.03964	0.3
299.05472	0.3
300.02951	0.4
327.05087	1.1
429.08331	0.4
447.09360	45.6
448.09647	3.2
463.08780	0.3
464.09274	0.2
473.10989	0.2
593.15131	98.2
594.15479	9.3
620.83716	0.2
836.60370	0.2
895.17157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99311	1.4
73.02953	4.1
75.00880	8.0
75.01507	0.1
81.03462	0.3
83.01397	1.9
84.01690	0.2
84.02171	0.4
85.02958	17.6
86.00108	1.3
87.00884	5.6
87.04528	2.0
89.02454	2.7
95.01396	2.8
97.02959	3.3
99.00891	9.3
99.04494	0.2
100.01693	0.2
101.02454	1.9
101.40341	0.1
103.04028	1.0
111.00899	0.3
112.01697	0.8
113.02461	12.0
114.02820	0.2
115.00390	0.2
115.04023	2.4
119.03499	0.5
125.02464	6.4
131.03510	4.7
131.04488	0.3
139.00407	0.7
142.02673	0.2
143.03506	3.9
145.05078	0.8
157.01385	0.7
163.06067	0.8
205.07196	1.6
247.08238	0.3
563.38049	0.2
583.40088	0.4
741.42493	0.4
843.29053	0.2
849.50061	0.4
937.51355	0.3
1019.52081	1.6
1037.53345	100.0
1038.53540	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	1033.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
74.61371	0.4
75.59079	0.4
78.97270	0.4
79.27503	0.4
84.86328	0.5
96.96023	0.7
122.27824	0.5
142.07813	0.5
169.06532	0.7
177.12848	0.7
179.08720	3.1
211.07672	1.0
221.06151	0.5
223.07663	26.4
224.08382	3.7
225.09258	2.9
227.07164	1.0
232.08929	0.7
235.07545	2.2
237.09219	1.3
245.09622	0.8
247.11365	0.5
251.07146	1.9
256.07394	0.7
259.11328	1.0
261.09122	0.6
263.07178	2.7
263.10294	0.8
264.07928	4.5
267.34354	0.5
267.64713	0.5
277.12509	0.7
285.09241	0.6
287.10629	0.6
289.08936	0.9
303.10321	6.0
304.11057	9.0
305.11670	1.1
329.19336	0.6
331.98087	0.5
345.18655	1.8
347.20190	19.0
348.20520	1.1
355.17050	1.3
373.18100	19.8
374.18253	1.1
391.19196	100.0
392.19559	7.3
505.82880	0.5
1033.42151	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	1033.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
79.65479	0.2
96.96007	0.6
99.03181	0.3
116.92835	1.1
119.05038	0.5
135.04578	0.3
145.02965	0.4
146.03831	0.3
147.04564	0.7
153.07112	0.3
158.03775	0.3
159.04489	0.7
159.96947	0.3
161.88225	0.3
165.07088	0.3
167.08676	1.1
168.16167	0.3
169.06644	1.7
171.08200	0.3
172.05339	0.7
173.06104	0.7
179.08725	0.6
181.06613	0.6
182.07372	2.4
187.07668	2.7
191.08655	0.3
193.06659	0.5
195.08191	3.5
207.08142	0.3
209.06093	4.3
209.83922	0.3
210.06895	7.5
211.07649	10.6
212.08229	0.7
213.09216	0.3
221.06087	1.7
222.06856	0.4
223.07663	45.2
224.08054	2.9
225.09222	1.1
231.06625	0.3
233.05949	0.5
235.07651	6.4
235.66373	0.3
236.08183	0.7
237.09177	0.6
263.10800	1.1
277.12341	1.9
303.10352	0.4
305.19058	0.3
345.18600	1.1
347.20178	42.7
348.20490	3.1
373.18045	2.9
391.19180	100.0
392.19519	6.7
415.08960	0.3
573.02698	0.3
1033.43079	3.0
1034.43445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
80.86490	0.1
88.48863	0.1
96.96030	0.8
105.16058	0.2
107.05030	8.4
108.05370	0.3
109.03008	0.2
122.03752	0.3
131.05125	0.1
135.04535	25.4
136.04845	0.6
149.02455	0.4
149.06073	0.6
165.05621	0.2
181.10257	0.3
186.20303	0.2
193.05032	0.5
197.09673	0.2
211.07660	0.2
211.11345	0.4
212.21318	0.2
213.79321	0.2
225.09219	5.9
226.09993	32.4
227.10315	1.3
230.09546	0.3
231.55182	0.2
239.10818	0.8
241.12346	55.9
242.12666	2.5
255.10240	0.3
258.09094	0.4
269.08163	1.9
270.08920	0.6
278.13232	0.3
283.09808	0.6
284.10638	0.3
285.11362	0.2
293.15466	3.3
294.15646	0.2
302.07803	0.2
311.16528	1.3
316.09396	0.4
355.15512	100.0
356.15826	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	1029.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55033	0.4
72.00922	0.9
72.04561	0.7
73.02911	0.3
74.02479	21.8
83.01407	0.4
98.02486	5.7
99.74193	0.3
106.17147	0.3
107.01398	1.0
116.03567	3.9
116.05070	11.3
117.69055	0.3
130.06644	1.1
132.02173	0.5
135.00880	0.6
142.06616	2.3
151.00377	2.8
159.09285	2.3
161.02509	0.3
162.61533	0.3
163.00392	0.9
164.01117	0.3
178.99867	1.0
183.04539	0.4
183.09230	0.4
183.12572	0.3
186.05568	0.5
187.04062	0.3
199.04025	0.5
201.10393	1.8
203.08272	22.6
204.08617	0.9
211.04010	1.5
213.05550	0.4
213.09248	0.5
216.61517	0.3
227.03500	25.8
228.03880	1.2
229.05048	1.0
239.03513	0.6
245.09315	42.1
246.09744	1.7
255.03000	50.7
256.03613	4.9
257.04526	1.3
283.02576	1.4
284.03271	77.8
285.03931	14.3
286.04440	0.5
293.04745	0.4
297.04056	0.6
299.05588	0.5
309.04056	0.7
327.05054	2.4
357.06287	0.6
393.05899	0.3
413.08896	0.4
428.55887	0.3
447.09390	1.4
575.14392	0.7
739.20953	100.0
740.21289	12.3
740.34668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.247
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02973	0.1
84.12049	0.1
91.01977	0.3
98.19941	0.1
98.91486	0.1
101.02504	0.2
108.02222	0.1
117.25423	0.1
128.27730	0.1
132.02170	2.4
135.00911	0.7
146.84790	0.1
153.01996	0.1
161.12907	0.1
167.05070	0.1
171.04427	0.1
180.05724	0.1
195.04521	1.4
196.05295	0.2
208.05293	1.5
209.05557	0.1
223.04016	5.1
224.04767	1.9
225.05191	0.1
236.04776	0.5
237.05530	0.1
238.06207	0.1
239.03552	0.2
248.04807	0.2
251.03516	4.3
251.07066	0.7
252.04292	58.2
253.04619	2.4
253.08586	0.1
266.06030	0.1
267.06631	100.0
268.06970	4.9
269.08029	0.1
274.06351	0.1
281.08066	0.4
282.05432	0.3
289.08752	0.3
295.06195	0.4
297.07755	0.4
309.07681	1.0
333.07629	0.1
351.08865	0.1
438.79321	0.1
671.61230	0.1
739.75769	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	1027.5855
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	14.4
75.77363	2.2
85.02954	5.5
87.00867	4.8
89.02454	14.6
97.02959	7.3
99.92607	3.5
101.02460	12.7
104.68921	2.5
108.82486	2.2
113.02474	6.9
116.92876	23.9
118.82806	2.3
119.03522	5.2
125.02452	4.9
125.09716	2.5
125.19312	2.5
137.09735	2.9
161.33379	2.3
171.10286	4.9
179.05566	3.1
195.13934	3.1
195.86740	2.3
221.15428	2.4
223.13553	2.1
235.08220	5.5
277.21725	32.3
291.19699	24.8
293.21103	8.0
309.20737	100.0
310.21158	6.0
379.12173	3.3
397.13556	44.0
398.14059	3.0
415.14572	14.5
689.33929	3.5
707.34253	3.6
891.46759	2.8
917.50165	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	1025.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	1.5
73.02955	0.6
83.01399	0.7
85.02947	0.6
89.02463	0.4
99.00925	0.3
99.04586	0.3
101.02464	0.5
107.01395	2.2
108.02191	1.0
109.02997	0.9
113.02461	0.6
121.02969	0.9
125.02467	0.6
135.00856	0.6
137.02458	0.4
139.03929	0.3
148.01688	0.9
149.02521	0.3
151.00386	7.4
159.04568	0.3
161.04651	0.3
163.00401	1.8
164.01041	0.4
175.04025	0.4
178.99875	3.3
183.04398	0.4
198.03218	0.3
199.04008	0.8
203.03529	0.4
205.12425	0.3
211.03969	0.8
215.03435	0.4
226.02765	1.0
227.03568	2.1
229.05013	0.7
243.03009	6.6
244.03502	0.8
245.04507	0.7
254.02219	1.1
255.03006	20.3
256.03406	1.4
271.02499	37.6
272.02921	2.9
273.03677	1.0
283.02548	1.1
284.03259	2.3
285.04004	3.3
286.04288	0.9
299.02005	1.8
300.02783	73.4
301.03485	25.9
301.06293	0.4
302.03793	2.3
303.04041	0.4
329.14056	1.3
447.09390	2.2
463.08780	1.7
464.09268	0.3
505.09930	100.0
506.10309	9.7
507.10425	2.4
593.15247	0.9
607.12390	0.3
609.13983	0.3
808.65552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.334
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54767	0.2
73.02947	0.2
83.01390	0.3
85.02934	0.4
89.02409	0.5
95.01349	0.1
95.15413	0.1
101.02431	0.8
102.44424	0.1
107.01334	0.3
109.02916	0.2
113.02424	0.4
119.03467	0.2
123.00893	0.1
132.02188	0.1
133.02905	0.2
134.03725	0.3
137.02310	0.1
147.00934	0.1
148.01613	0.5
149.99571	0.1
151.00389	0.9
161.02336	0.2
161.04456	0.2
169.01456	0.2
169.06520	0.2
176.01025	0.1
183.04462	0.2
184.05356	0.1
187.04002	0.1
195.04492	0.2
199.04088	0.2
200.04729	0.4
211.03949	0.5
212.04753	0.6
213.05327	0.2
224.04741	0.3
225.05431	0.3
226.05865	0.2
227.03502	1.1
228.04256	0.4
239.03526	0.5
240.04120	0.3
253.04996	0.3
254.05322	0.2
255.03003	2.3
256.03763	2.3
257.04321	0.1
267.02942	0.5
268.03592	0.6
269.04663	0.6
270.05026	0.2
281.04550	0.5
282.05081	0.6
283.02539	2.1
283.05487	0.3
284.03278	61.8
285.03607	3.1
296.03314	0.2
297.04047	4.2
297.07700	1.5
298.04514	2.6
298.08051	1.1
299.05621	100.0
300.05957	5.4
301.06839	0.1
313.07233	0.2
321.07611	0.2
326.04230	0.4
341.06668	2.8
342.06967	0.3
365.06705	0.2
383.07709	0.2
389.21814	0.7
431.22879	2.9
432.23282	0.3
443.09894	0.6
461.10800	0.3
501.10001	0.6
502.10721	0.9
503.11224	1.1
1023.42548	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5385
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	13.9
72.99323	1.2
73.02953	3.7
75.00878	7.7
81.03465	0.4
83.01390	2.8
85.02957	12.2
86.00108	1.1
87.00885	5.2
87.04517	1.4
89.02451	1.7
95.01398	2.2
96.96006	0.6
97.02350	0.4
97.02961	6.4
99.00893	9.2
99.04485	0.4
101.02440	2.1
103.04009	0.8
111.00890	0.2
112.01693	0.3
113.02467	6.1
114.02866	0.2
115.00337	0.3
115.04021	1.6
119.03493	0.2
125.02457	9.4
131.03513	4.5
139.00368	0.3
143.03505	3.2
145.05080	0.5
157.01404	0.6
163.06129	0.6
202.42897	0.2
205.07162	1.7
229.99371	0.2
247.08084	0.3
301.10529	0.2
465.37491	0.4
565.39008	1.0
635.43787	0.4
725.42725	0.3
921.52448	0.3
1003.53290	1.9
1013.26959	0.2
1021.53839	100.0
1022.54089	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	1017.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01405	1.9
73.02947	0.9
77.03963	1.2
79.01901	1.6
81.48068	0.4
82.28091	0.3
83.01396	0.6
83.97599	0.4
85.02957	0.9
87.00890	0.4
96.95986	1.2
101.02481	1.9
105.03454	0.4
113.02454	1.0
116.18684	0.4
117.03452	0.6
119.05019	0.7
119.48036	0.5
121.02956	0.9
123.33002	0.4
129.57832	0.4
132.02196	1.9
134.03781	0.5
143.04994	0.9
145.02979	2.4
161.04636	0.5
165.01935	1.3
175.00374	0.5
180.05777	0.6
181.06622	1.1
194.07417	0.6
195.04541	1.7
195.06300	0.4
195.08163	0.9
205.12292	1.0
208.05249	1.2
211.04144	0.6
221.06128	0.4
221.75804	0.4
223.04041	3.4
223.07635	3.4
224.04692	1.3
224.07826	0.5
237.05598	0.5
238.06384	1.0
239.03545	4.6
239.07156	0.7
240.03929	0.5
251.03523	2.9
251.07179	0.9
252.04301	33.8
253.04945	4.9
254.05788	3.1
263.07166	0.8
265.05130	5.4
266.05646	2.0
267.06644	100.0
268.06970	5.5
277.05209	1.8
279.06665	5.6
281.04721	0.5
281.08057	0.4
282.05362	13.6
283.05832	0.9
293.04648	0.8
295.06140	61.6
296.03381	0.8
296.06393	3.3
297.07706	18.4
298.04828	1.6
298.08099	1.3
305.04636	1.0
307.06128	8.9
308.06345	0.7
309.07663	1.0
325.07217	14.3
326.07639	0.7
333.07394	0.4
337.07321	0.9
361.07108	0.6
361.37894	0.4
369.77039	0.4
379.08322	1.3
397.09268	2.8
397.22290	1.9
415.10352	4.4
415.23334	0.7
457.11447	65.4
457.24698	1.5
458.11765	4.5
537.03717	0.4
604.36377	0.4
647.25684	0.4
660.86621	0.4
708.10443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10261	0.9
71.01389	16.5
72.99324	1.5
73.02952	4.2
75.00881	7.4
83.01399	1.8
83.05067	0.2
84.02189	0.3
85.02957	19.5
86.00108	1.3
86.03262	0.2
87.00887	7.3
87.04520	1.9
89.02460	2.0
95.01391	3.5
96.96016	0.7
97.02981	0.5
99.00893	11.8
99.04532	0.3
101.02446	2.9
103.04018	1.0
109.03017	0.2
111.00880	0.3
112.01707	1.0
113.02459	14.4
114.02789	0.4
115.00390	0.4
115.04023	1.7
119.03531	0.2
125.02480	0.5
129.01950	0.6
131.03514	4.4
139.00389	0.9
143.03525	2.8
145.05026	0.6
157.01431	0.8
163.06091	0.7
169.99277	0.2
172.75887	0.2
191.05705	0.2
199.17006	0.2
205.07118	1.5
346.04776	0.2
348.34735	0.2
357.55310	0.2
372.85605	0.2
391.30045	0.6
407.33472	0.4
409.34851	0.3
419.97815	0.2
423.33130	0.3
437.34241	0.3
439.31522	0.2
441.33163	0.2
457.36685	0.5
463.35730	0.3
483.38416	0.5
501.35657	0.4
520.71637	0.2
559.40253	0.8
699.41254	0.3
717.42572	1.1
738.09412	0.3
778.02747	0.2
882.63165	0.2
911.51318	0.3
937.51428	0.8
951.53052	0.7
995.51617	1.5
1013.53333	100.0
1014.53607	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	1013.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29629	0.3
70.29969	0.8
71.01387	1.3
73.02967	0.4
83.01376	0.6
85.02938	0.6
89.02449	0.4
95.70965	0.4
98.20531	0.4
101.02455	0.8
107.01427	1.9
108.02176	1.2
109.02950	1.0
113.02434	0.5
121.02961	0.9
122.37484	0.3
125.02450	0.3
134.03828	0.3
135.00948	0.4
142.30988	0.3
148.01663	0.7
149.02444	0.5
150.99199	0.5
151.00378	7.0
159.04451	0.5
160.99763	0.3
161.02473	0.3
163.00407	1.7
164.01106	0.4
169.01422	0.5
177.12769	0.3
178.99878	3.3
183.55544	0.3
186.78539	0.3
187.04057	0.5
191.07175	0.3
199.04025	0.6
203.03572	0.3
205.12126	0.3
210.03372	0.3
211.03981	0.8
213.01854	0.3
215.03510	0.7
216.04318	0.4
226.02672	1.0
227.03429	2.0
229.04918	0.6
243.03018	7.5
244.03455	0.3
245.04546	1.0
254.02217	1.6
255.03001	18.9
256.03397	1.4
271.02496	41.5
272.02945	2.8
273.03931	1.0
283.02454	1.3
284.03259	0.6
285.04013	1.2
286.04343	0.4
289.07312	0.3
299.02051	1.2
300.02768	75.1
301.03470	29.1
302.03912	1.9
315.18100	0.3
371.20813	0.4
390.53799	0.4
429.21277	0.9
430.21811	0.4
431.22806	0.7
447.09647	0.7
463.08789	3.5
505.09903	100.0
506.10196	9.1
507.10703	1.0
521.12378	0.3
549.17902	0.3
575.11969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	17.9
72.99309	1.8
73.02956	4.8
75.00875	9.3
79.95749	0.4
83.01395	3.2
85.02962	20.4
85.92003	0.4
86.00105	0.7
87.00405	0.7
87.00889	7.4
87.04530	2.1
89.02455	2.3
95.01378	3.0
96.96019	2.8
99.00894	11.4
101.02463	2.5
103.04020	1.7
112.01685	1.1
113.02462	14.0
115.04014	1.9
118.33498	0.5
125.02400	0.5
131.03499	4.0
139.00398	1.3
143.03520	3.5
145.05113	0.6
146.61792	0.5
157.01483	0.6
163.06111	0.9
205.07191	1.5
276.99658	0.5
425.34543	0.7
559.75525	0.5
993.49750	1.4
1011.51770	100.0
1012.51959	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	1011.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	0.4
71.54791	0.3
73.02953	0.2
77.03975	0.2
79.01892	0.3
79.74519	0.1
83.01388	0.4
84.36578	0.1
85.34417	0.2
89.02446	0.2
93.03474	0.6
95.01379	0.4
101.02448	0.3
105.03465	0.2
107.01402	0.4
109.02965	0.4
113.02364	0.2
117.03488	2.9
119.05022	0.7
121.02960	0.6
123.04564	0.3
124.92248	0.2
131.05025	0.2
133.02992	1.4
133.06645	0.2
135.04504	1.3
137.02461	0.3
143.05121	0.2
145.02979	0.3
147.04475	0.4
149.02432	0.5
149.06140	0.2
151.00415	0.4
151.04007	0.3
159.04492	0.4
161.02463	1.4
161.06082	0.3
163.00391	0.3
163.04073	1.3
165.05595	0.2
173.02397	0.2
175.04019	1.3
177.01944	0.6
177.05562	0.5
187.04005	0.3
189.01939	0.7
189.05579	0.3
191.03525	1.3
191.46049	0.2
193.01508	0.3
197.06052	0.3
199.04059	0.3
201.05472	0.2
203.03513	0.8
205.05125	0.4
213.05522	0.2
215.03592	0.3
217.05034	0.3
221.04572	0.4
223.07738	0.3
227.03632	0.2
233.04498	0.4
238.06413	0.2
239.84532	0.2
241.04930	0.2
243.06615	0.3
245.04620	0.3
251.07144	0.2
253.08658	0.3
257.04221	0.2
267.06610	0.5
268.07446	0.6
269.04529	0.4
279.06610	0.3
281.04636	0.6
282.05298	1.1
283.06113	2.2
284.03305	1.1
284.06284	0.3
285.04132	0.8
294.05115	0.2
295.06113	2.7
296.06866	1.5
297.04102	1.8
297.07648	12.4
298.04788	0.9
298.08047	0.7
299.05600	1.8
307.06055	1.3
308.06937	0.2
309.07709	1.3
311.05634	2.6
323.05618	2.6
324.06277	0.5
325.07220	5.3
327.05118	9.5
328.05807	2.4
329.05954	0.2
335.05661	0.9
337.07248	1.8
339.05222	0.5
341.06665	0.2
351.05121	0.4
353.06680	27.2
354.07108	1.5
355.08289	0.7
356.05530	0.5
357.06161	2.4
365.06668	2.9
366.06604	0.2
367.08426	0.4
369.06168	0.5
381.05957	0.5
383.07745	16.5
384.08063	0.8
395.07767	2.0
396.07736	0.2
397.09244	0.3
407.07825	0.3
413.08893	1.8
425.08871	1.0
437.08829	0.4
443.09863	8.6
444.10059	0.7
447.09338	7.5
448.09891	0.8
448.15213	0.2
455.09842	1.1
459.16833	0.2
473.10910	5.4
474.11172	0.4
485.10919	0.6
503.11899	0.2
515.11975	0.4
539.95538	0.2
545.13208	0.5
563.14093	100.0
564.14453	8.7
805.13129	0.4
967.18488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.2
75.00884	0.1
78.95893	0.1
79.95747	6.6
85.02945	0.1
87.00874	0.1
96.96022	100.0
97.95967	0.2
98.20538	0.1
99.00921	0.1
113.02464	0.2
183.51283	0.1
280.50183	0.1
322.28372	0.1
570.03741	0.1
570.57233	0.1
632.41479	0.1
644.00983	0.1
911.49945	0.6
912.50409	0.1
949.45319	0.2
1009.46899	0.6
1010.47089	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	1011.242
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.6
73.02926	0.5
79.01888	0.3
79.03993	0.2
85.02979	0.3
91.05528	0.2
93.03456	0.7
95.01429	0.2
97.06847	0.2
101.02435	0.4
116.85477	0.2
117.03483	2.9
119.05022	0.5
121.02883	0.2
133.02966	1.7
135.04561	1.3
137.02457	0.3
145.02936	0.4
147.04559	0.3
149.02449	0.4
151.03999	0.2
152.01057	0.2
159.04529	0.3
161.02464	1.3
162.03236	0.3
163.00250	0.3
163.03970	1.3
173.05965	0.2
175.03987	1.1
177.01939	0.5
177.05562	0.7
179.03519	0.2
187.04012	0.4
189.01932	0.5
189.05627	0.2
191.03506	0.9
197.06015	0.2
199.03876	0.3
203.03513	0.8
205.01431	0.3
205.05019	0.4
213.05609	0.3
215.03470	0.4
217.04996	0.3
221.04588	0.3
227.03656	0.3
233.04453	0.5
238.06285	0.4
240.21225	0.2
245.04524	0.2
251.07132	0.3
253.08620	0.3
267.06561	0.2
268.07431	0.3
269.04559	0.3
281.04584	0.6
282.05331	1.3
283.06165	2.3
284.03253	0.8
284.06201	0.2
285.04013	0.6
295.06213	2.3
296.06882	1.6
297.04056	1.6
297.07635	11.3
298.04791	0.9
298.08084	0.6
299.05533	1.9
307.06100	1.4
309.07709	1.3
311.05591	2.7
321.03986	0.2
322.05191	0.3
323.05664	2.0
324.06378	0.7
325.07230	4.5
326.07809	0.4
327.05084	9.7
328.05792	2.5
335.05606	0.9
337.07196	1.8
339.04916	0.3
341.06741	0.5
351.05084	0.4
353.06674	25.9
354.07071	2.0
355.08319	0.6
356.05276	0.4
357.06201	2.5
365.06677	2.6
367.08365	0.3
369.06186	0.3
381.06290	0.3
383.07748	15.2
384.08020	1.0
395.07855	1.6
397.09412	0.4
407.07593	0.3
413.08728	1.8
425.08795	0.9
425.14706	0.2
426.09592	0.3
443.09924	9.0
444.10089	0.6
447.09372	7.6
448.09662	0.5
455.09723	0.9
473.10852	5.1
485.10715	0.4
545.13104	0.6
563.14075	100.0
564.14423	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	1007.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	1.8
72.95377	0.3
74.20599	0.3
75.00891	0.5
83.01384	0.5
84.85431	0.3
85.02967	0.8
87.00935	0.3
87.02942	0.3
89.02473	0.6
95.01388	0.4
96.96023	2.2
98.19955	0.8
101.02446	0.8
109.02943	0.4
113.02455	1.1
116.36743	0.4
119.05001	0.4
125.02454	0.5
133.03049	0.4
134.03790	0.5
151.07639	0.4
167.08672	2.8
169.06607	7.1
175.03981	0.5
197.06097	0.6
197.11841	0.8
211.07657	100.0
212.07986	5.4
213.05592	0.6
221.06090	0.4
241.05017	0.7
255.06555	0.7
269.04602	5.5
284.06918	8.4
285.04169	0.5
285.07321	0.8
299.09280	8.1
300.09528	1.1
396.64853	0.4
399.16449	0.5
415.13989	3.1
963.46216	0.4
1007.45270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	1.3
71.01726	0.3
71.54276	0.2
73.02943	0.4
73.52393	0.2
75.00871	0.5
79.01936	0.3
85.02951	1.1
87.00893	0.5
91.05501	0.2
93.03439	0.8
101.02437	0.3
101.99841	0.2
104.85563	0.3
107.01467	0.3
113.02462	1.2
117.03462	2.4
119.05017	0.5
125.02486	0.3
133.06595	0.4
134.03749	1.7
135.04553	1.2
147.04489	0.3
149.02441	0.7
149.06108	0.6
159.04503	0.5
160.01611	0.3
161.02432	1.2
161.06117	0.3
163.04015	0.6
165.05537	0.3
175.03967	1.3
177.02032	0.3
177.05603	0.6
179.03520	0.4
185.02296	0.3
187.03986	0.3
189.01889	0.5
191.03528	0.8
193.05138	1.4
193.06592	0.2
197.06033	0.3
203.03491	0.9
205.05188	0.3
215.03459	0.4
221.04590	0.5
223.07727	0.3
235.07498	0.3
245.04675	0.3
249.06194	0.7
251.07173	0.4
252.05048	0.3
253.08716	0.5
267.07187	2.9
268.07486	0.8
279.06723	0.5
281.04602	0.7
282.05319	1.2
283.06033	1.7
294.05136	0.4
295.06088	2.9
296.06790	1.5
297.07693	12.1
298.07986	0.5
301.03470	0.3
307.06232	1.4
309.07690	1.9
311.05667	1.4
312.05939	0.4
323.05679	2.5
324.06357	0.6
325.07199	4.9
326.07413	0.3
328.05893	2.4
335.05655	0.8
337.07205	2.0
351.05173	0.6
353.06674	29.5
354.07010	2.4
355.08331	0.9
356.05493	0.7
365.06644	3.6
379.08194	0.5
381.05984	0.4
383.07745	22.2
384.07953	1.7
395.07684	1.8
397.09250	0.5
407.07602	0.7
413.08765	2.1
425.08804	2.9
443.11850	7.3
444.12762	0.5
446.86975	0.3
455.09937	0.7
473.10855	4.6
474.11343	0.4
503.11938	2.2
545.13177	0.4
563.14081	100.0
564.14429	9.0
579.13715	0.4
756.20538	0.7
982.08026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	6.8
71.54805	6.5
74.77793	4.4
78.92750	4.2
92.92834	4.8
140.17087	4.6
160.41589	4.3
179.05638	7.1
181.43265	4.9
216.90739	5.2
235.08121	6.3
277.21744	31.0
285.17136	5.0
291.19626	11.1
309.20752	100.0
310.20963	6.5
397.13477	53.3
404.18219	4.9
415.14569	13.3
675.36450	7.6
689.33978	7.5
1003.54498	51.6
1004.53680	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	1003.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44331	11.0
71.01388	54.6
72.99318	4.9
73.02959	20.7
75.00903	2.0
75.25916	1.6
81.03478	5.2
83.01402	13.1
83.05090	1.7
83.69333	1.7
85.02962	29.4
87.00867	8.4
89.02460	16.8
95.01390	8.8
96.96004	5.3
97.02964	6.5
99.00896	6.7
101.02457	38.3
111.00886	8.7
112.01691	2.3
113.02464	33.9
119.03482	5.2
123.00887	2.0
124.01695	4.8
125.02473	17.0
129.01915	1.7
143.03558	4.9
150.03094	2.5
159.03041	3.4
161.04553	7.9
195.04431	2.9
211.03969	3.3
223.04018	4.8
224.04762	2.7
228.14317	1.9
239.03506	21.8
240.04088	3.1
251.03525	2.9
252.04288	40.8
253.04631	12.1
254.05983	16.6
267.03430	4.8
267.06641	79.8
268.03741	10.5
268.06952	21.4
269.07285	7.5
282.05362	66.0
282.07938	1.2
283.05893	11.8
286.96677	1.8
295.06110	7.3
297.07693	100.0
298.08066	6.0
299.25821	3.4
307.06039	2.7
339.08670	2.8
345.30008	5.4
404.50986	1.8
411.14328	2.1
413.21600	2.7
457.11310	6.1
457.24252	2.9
489.34396	3.9
507.35156	6.5
633.38806	5.1
651.39960	11.8
669.40717	6.6
795.43878	70.8
796.44080	11.2
813.44971	78.8
814.44635	9.2
831.45978	12.7
855.46069	44.1
856.45862	6.5
873.31793	3.0
873.47260	37.4
874.47522	5.4
915.48364	10.9
916.48425	2.5
1003.44855	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	1003.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.0
73.02941	0.8
80.97106	0.2
83.01393	0.7
85.27476	0.3
87.00872	0.3
89.02457	0.5
99.04530	0.3
101.02456	0.8
107.01399	1.7
108.02184	0.9
109.02943	0.6
113.02456	0.4
121.02973	1.1
125.02441	0.4
135.00935	0.6
148.01732	0.6
151.00385	6.5
159.04485	0.2
161.04527	0.3
163.00395	1.7
163.04002	0.3
169.01402	0.6
178.99872	3.3
187.03860	0.4
201.05618	0.3
211.04024	0.5
215.03548	0.3
226.02745	1.0
227.03532	1.4
229.05095	0.4
239.03474	0.3
243.02985	4.4
244.03569	0.5
245.04547	0.6
245.09357	1.0
254.02139	1.2
255.03000	14.7
256.03418	0.8
271.02496	31.3
272.03018	2.4
273.04047	0.4
283.02570	0.6
299.01935	0.9
300.02771	61.7
301.03510	23.9
302.03937	1.0
343.04718	0.3
601.12085	0.3
609.14642	100.0
610.15021	9.8
611.15424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	0.4
71.54974	0.3
78.82581	0.2
79.05534	0.2
82.72139	0.2
89.02423	0.3
93.03461	1.3
96.95997	0.5
106.89300	0.3
107.05000	0.9
108.02208	0.5
109.02950	0.3
109.06594	0.4
121.02951	0.5
122.03735	0.9
125.02379	0.3
134.03767	1.9
135.04539	21.4
136.04880	0.6
137.02460	1.0
147.04543	6.2
152.04791	0.3
171.08124	0.4
171.10205	0.3
172.08896	0.2
175.07646	1.1
189.09218	0.9
190.10016	0.7
194.68491	0.3
206.33113	0.3
211.07655	1.2
212.08432	3.0
213.09216	4.0
220.69119	0.2
223.07715	0.5
225.07024	0.5
225.09224	9.8
226.09787	1.3
237.12817	0.8
238.43079	0.3
239.14346	0.4
241.08743	1.7
258.08939	1.0
263.14282	0.4
266.73737	0.3
271.15051	0.3
277.21722	0.3
279.14175	0.3
281.15488	60.2
282.15817	3.3
307.13449	3.5
308.13620	0.3
325.14478	100.0
326.14813	6.8
327.21933	0.6
397.13367	0.6
415.14380	0.4
563.28125	0.3
639.14624	0.3
793.65167	0.3
812.18866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	6.8
69.07071	27.0
71.04999	6.8
73.02917	3.3
77.03909	1.2
79.05496	95.3
81.03421	6.2
81.07059	99.8
83.02803	1.1
83.04996	8.7
83.08624	14.7
85.02911	15.1
85.06534	8.3
91.03954	4.1
91.05484	92.7
93.07050	100.0
94.07385	1.1
95.04967	12.5
95.08610	81.8
97.02898	11.9
97.06533	10.4
97.10180	9.8
99.04465	1.9
99.08100	5.6
103.05482	3.1
105.04519	2.8
105.07035	77.7
107.04982	4.6
107.08601	63.0
109.02843	1.8
109.06508	8.9
109.10163	39.7
111.04416	1.7
111.08074	6.2
111.11690	1.3
113.09636	2.2
115.05491	5.7
116.06180	2.0
117.07026	32.3
119.08585	61.2
121.06509	4.7
121.10146	46.2
123.08074	4.6
123.11714	8.2
125.06072	1.1
125.09630	7.1
127.03899	6.0
127.07542	1.5
128.06252	3.8
129.05525	1.5
129.07008	15.6
131.07085	1.8
131.08574	47.3
133.06493	1.4
133.10135	45.3
135.08067	4.4
135.11705	28.5
137.09625	4.4
137.13255	1.8
139.11171	2.7
141.07011	4.4
142.07765	3.1
143.08586	18.1
144.09325	1.6
145.05005	2.6
145.06439	1.4
145.10132	39.5
147.11694	32.0
149.09612	5.3
149.13268	16.8
151.11189	3.3
155.08635	5.3
155.10692	1.6
157.10138	14.2
159.08005	2.0
159.11711	31.6
161.09621	2.8
161.13258	18.6
163.06102	1.8
163.11176	5.6
163.14833	5.3
165.12767	2.8
167.10596	1.3
168.09402	1.4
169.10150	8.4
171.11702	13.1
173.09650	1.6
173.11841	1.8
173.13251	16.7
175.11192	3.3
175.14859	6.0
177.12790	3.9
177.16438	1.6
179.14343	2.3
181.10136	1.8
183.11667	6.5
185.13240	14.7
187.14803	14.7
189.11220	1.9
189.12767	2.3
189.16490	2.1
191.14337	2.3
193.15865	1.4
195.11810	1.8
195.13806	2.5
197.13242	5.4
199.14845	6.7
201.16396	4.8
203.14288	3.8
203.17995	2.6
205.15881	6.0
209.13255	3.0
211.14807	2.3
213.16478	3.4
219.17461	3.5
221.19034	2.5
227.12706	6.7
229.14307	8.0
229.19493	2.9
231.17485	1.4
231.21124	2.2
239.18033	3.8
241.19545	12.3
243.21027	2.6
257.18997	14.7
259.20596	27.7
261.18213	1.3
261.22241	9.0
267.15967	1.9
269.17429	2.4
269.31183	1.2
275.20099	23.4
277.21674	32.2
283.20590	1.3
293.21106	10.3
301.21671	1.9
315.23190	4.0
317.24716	1.5
331.22601	6.2
333.24213	31.1
335.25839	54.0
349.23785	25.0
351.25345	67.8
385.23679	2.2
403.24878	1.5
413.21619	1.3
487.34421	1.6
489.35806	9.2
505.34848	1.6
515.37488	1.6
517.40625	2.0
517.68280	1.3
527.37341	3.1
529.38965	4.7
535.41608	1.8
545.38324	3.5
555.40308	2.1
569.42310	5.2
609.45129	53.7
610.45673	1.6
621.33807	1.3
627.36627	1.8
627.46240	28.1
735.48645	1.7
753.49023	2.2
771.49634	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	985.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03370	2.7
69.07008	3.8
69.98850	3.2
71.01295	2.0
71.04997	28.8
71.05358	1.7
73.02930	4.6
75.04482	3.8
76.75426	0.7
79.05495	8.3
81.03369	2.2
81.07059	18.0
83.04988	13.7
83.05459	1.5
83.08566	1.3
85.02909	70.0
85.03403	2.3
85.03649	2.2
87.04440	1.2
91.03954	6.0
91.05485	8.7
93.07050	16.9
95.01334	13.6
95.04915	1.9
95.08614	36.9
95.09213	1.8
97.02897	8.0
97.06490	1.3
97.10104	1.2
99.00754	1.7
99.04398	2.0
101.02332	1.1
103.03883	2.4
105.07036	17.9
106.27187	0.7
107.04912	1.0
107.08600	22.5
109.02829	1.5
109.06441	1.8
109.10162	26.2
111.04456	11.3
111.08096	3.9
113.02306	2.3
113.05936	0.8
117.06988	3.5
119.08583	18.2
121.06484	1.0
121.10158	14.6
123.04451	0.9
123.08014	0.9
123.11719	6.1
125.05939	1.2
127.03915	5.9
128.06140	1.2
128.07066	0.7
129.05489	17.6
129.06966	2.7
130.07747	0.9
131.03360	0.7
131.08582	11.8
133.10141	14.4
135.08029	1.7
135.11703	11.2
137.05891	2.6
137.09555	0.7
137.13200	2.0
139.07471	1.2
139.11168	1.4
141.01834	38.3
142.07726	1.2
143.07635	0.6
143.08568	6.0
145.04895	5.8
145.06244	1.1
145.10135	18.5
147.04434	0.7
147.06525	10.1
147.10655	1.0
147.11693	13.6
149.06009	4.8
149.09550	0.6
149.12193	0.9
149.13275	12.2
151.03842	0.9
151.07489	1.7
151.11105	1.6
153.12636	0.9
155.08493	2.2
156.09293	1.7
157.10155	8.3
158.10808	0.8
159.02922	10.0
159.07991	0.9
159.10480	1.1
159.11703	17.9
160.12514	0.9
161.05960	0.9
161.09636	1.2
161.13268	10.0
163.06059	9.9
163.07462	1.9
163.14801	4.1
165.09065	1.8
165.12793	0.7
169.10069	2.8
170.10782	0.9
171.06561	0.7
171.11705	12.0
172.12317	1.0
173.09558	1.1
173.11971	0.7
173.13292	10.5
175.07549	1.3
175.11075	1.0
175.14828	6.3
177.03879	1.9
177.05414	1.5
177.09065	2.7
177.15233	0.6
177.16397	7.4
179.10640	0.7
181.10039	1.2
183.11708	2.9
185.09590	0.8
185.13258	7.0
187.11168	0.9
187.14804	9.5
189.09012	2.4
189.12680	1.3
189.16394	11.0
191.10651	3.5
191.17914	0.8
193.10017	0.9
193.12215	1.8
195.11696	1.8
195.17406	1.0
197.13316	4.1
199.11110	2.5
199.14848	7.5
201.12659	2.7
201.14540	0.8
201.16385	11.4
203.10643	2.5
203.14273	1.1
203.17896	2.5
205.12201	2.5
205.15828	2.9
207.17392	4.2
209.13222	2.1
210.13914	0.9
211.14835	2.1
213.12689	1.9
213.16304	2.8
215.10699	1.2
215.14238	2.4
215.17859	2.1
217.12256	4.0
217.15784	1.4
219.13831	7.1
219.17355	2.7
221.84602	0.6
223.14755	1.2
225.12730	0.9
225.16307	1.9
227.14281	1.8
227.17848	2.6
229.12245	1.2
229.19453	1.7
231.13783	5.8
231.17303	0.7
233.15315	4.3
237.11052	1.3
237.16333	1.1
239.17870	1.8
241.12245	1.4
241.19518	1.0
243.13783	3.2
243.20990	0.8
245.11703	1.0
245.15390	4.4
249.11180	0.8
251.18112	0.9
253.15970	0.8
253.19595	1.6
255.08624	2.2
255.17418	1.1
255.21071	1.1
257.15393	2.0
259.13110	0.9
259.16965	1.9
263.12781	1.7
267.21014	1.7
269.06531	1.0
269.15259	1.4
269.22531	1.3
271.16980	1.8
273.09726	1.0
273.18579	1.3
275.12891	0.8
277.14410	6.5
283.16907	1.3
285.18484	1.0
287.07648	1.6
289.14371	12.1
297.18381	0.7
299.20111	0.8
301.14365	2.9
303.15906	4.9
305.08667	3.5
309.11700	2.1
315.15903	7.0
317.17493	5.0
323.09818	0.7
327.15897	2.8
329.17520	4.5
331.18903	1.6
339.09192	0.7
343.19028	3.8
355.19125	1.8
357.20630	3.6
363.26843	0.8
369.20505	2.2
371.22116	3.8
377.55072	0.6
381.20526	0.8
391.29901	0.8
393.31461	1.4
395.22165	1.3
403.30005	1.6
409.30658	0.8
419.29538	1.9
421.30994	4.9
423.25369	2.2
425.26913	13.6
437.30414	1.2
447.29047	1.4
453.30057	11.0
455.31415	0.9
463.28424	1.1
465.30048	86.3
466.30460	2.7
483.31097	100.0
484.31323	4.5
501.32181	11.1
574.31262	0.8
623.31915	1.1
641.33130	5.6
653.12549	0.8
777.13544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.5
69.07063	0.6
71.04984	0.5
71.59009	0.5
73.02917	2.8
77.04001	0.4
78.06283	0.3
79.05505	2.4
81.03432	1.2
81.07063	2.5
83.01273	0.4
85.02905	4.2
91.03963	2.7
91.05473	1.7
93.07058	2.5
95.05009	0.5
95.08617	2.0
97.02898	4.0
99.04452	0.8
101.02392	1.7
105.07083	0.9
107.08604	1.1
109.02895	0.7
109.10184	0.5
112.66477	0.4
115.03914	0.4
119.08656	1.1
121.10166	0.5
123.11723	0.5
127.03976	1.0
131.08620	0.5
133.10159	0.5
135.11650	0.4
145.10159	0.4
147.11725	0.5
159.10172	0.3
184.11134	0.3
185.04263	0.8
201.03754	0.3
203.05327	0.9
204.37032	0.3
217.89680	0.4
243.08398	1.8
251.40427	0.4
271.21060	0.3
301.08875	0.4
305.08063	0.4
335.25964	0.7
347.09430	2.7
363.09024	0.7
365.10583	0.6
374.68069	0.3
405.13675	5.0
463.14325	0.6
477.15765	0.5
519.29181	3.5
535.29010	2.8
549.17621	0.4
577.06744	0.3
643.41418	0.3
681.34698	5.9
697.34381	2.8
753.37476	0.7
813.51697	0.6
975.56525	100.0
976.56842	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	975.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	3.3
69.07074	0.4
71.01333	0.4
71.04995	0.5
71.08019	0.2
71.39742	0.2
71.42893	0.2
71.58901	0.3
71.59867	0.2
73.02922	2.9
79.05495	2.3
81.03427	1.4
81.07066	2.2
83.04974	0.3
85.02905	5.3
87.04483	0.4
91.03960	3.1
91.05479	2.1
93.07040	2.8
95.04980	0.5
95.08616	2.3
97.02896	6.3
97.03510	0.4
97.10207	0.3
99.04471	1.1
101.02373	1.8
105.07021	1.5
107.08593	1.6
108.65381	0.2
109.02907	0.7
109.06521	0.3
109.10166	0.8
111.08096	0.2
115.03911	0.4
117.07041	0.4
119.08615	1.0
121.10179	1.2
127.03934	1.2
130.36444	0.3
131.08592	0.8
133.10164	0.6
135.11690	0.7
145.04988	0.6
145.10149	0.5
147.11723	0.4
149.13290	0.3
161.33070	0.3
185.04305	0.6
203.05331	1.0
231.29604	0.3
243.08443	2.0
282.67987	0.2
317.20990	0.4
335.25848	0.5
344.95395	0.2
347.09494	2.2
363.09103	0.6
365.10687	1.3
373.23505	0.3
381.85828	0.3
386.31277	0.3
405.13699	6.3
421.13428	0.3
519.29297	4.3
535.28766	3.5
566.67932	0.3
681.34497	5.7
682.35046	0.3
697.34003	3.7
813.51404	0.7
975.56525	100.0
976.56860	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	973.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99780	0.6
69.03439	4.3
69.07069	7.3
69.99168	1.1
69.99571	2.5
71.01349	2.7
71.04995	41.6
73.02918	7.3
75.04479	5.5
77.03924	1.0
79.05497	9.6
81.03418	2.1
81.07060	29.8
83.04987	19.9
83.08628	4.6
85.02906	98.4
85.06503	0.7
87.04474	2.1
89.31351	0.6
91.03963	7.9
91.05478	9.9
93.07048	27.3
95.01331	19.4
95.04963	2.3
95.08608	57.4
97.02893	10.6
97.06548	2.0
97.10175	2.3
99.00816	2.5
99.04464	1.5
99.08096	0.6
101.02369	1.3
101.05984	0.8
103.03938	3.1
103.05458	0.9
105.07034	28.0
107.04958	0.7
107.08597	41.2
109.02885	2.2
109.06542	1.9
109.10161	46.3
111.04441	12.9
111.08080	11.9
111.11712	1.0
113.02360	3.4
113.05971	0.6
115.03946	1.4
115.05431	0.7
117.05569	0.6
117.07013	3.3
119.08588	37.1
121.06532	1.7
121.10145	33.7
123.00809	0.8
123.04440	0.8
123.08081	2.9
123.11716	11.4
125.06059	1.1
125.09615	1.8
127.03924	7.2
128.06223	0.8
129.05481	23.4
129.06966	1.2
131.03397	1.5
131.08572	12.4
133.10133	28.0
135.04440	0.8
135.08078	1.8
135.11699	21.3
137.06039	1.6
137.09645	2.0
137.13254	3.4
139.07567	1.5
139.11200	2.1
141.01831	55.3
142.07848	1.3
143.07527	0.8
143.08556	5.2
144.09355	1.5
145.04968	7.1
145.10124	29.8
147.06523	13.8
147.11691	25.3
148.11993	0.7
149.06071	0.6
149.09612	1.8
149.13261	27.4
151.11200	1.5
151.14842	1.1
153.12784	0.8
155.08562	1.5
156.09393	1.9
157.10146	10.8
158.10921	1.2
159.02893	10.3
159.06548	0.7
159.08015	0.7
159.11691	28.8
159.13016	1.5
161.05943	0.7
161.09654	2.8
161.13260	29.7
163.06039	13.8
163.07426	0.9
163.11209	2.3
163.14821	16.3
165.01950	0.8
165.07564	0.7
165.09084	0.9
165.12689	1.2
165.16325	0.9
167.07069	1.6
169.08788	0.9
169.10072	3.3
170.10924	1.8
171.06555	1.1
171.11688	13.4
172.12404	0.8
173.08183	0.7
173.09599	1.3
173.13269	24.9
175.11174	2.8
175.14828	21.4
177.03952	2.4
177.05415	1.1
177.09216	0.7
177.12762	1.3
177.16388	14.2
179.10698	0.9
181.04895	0.6
183.11714	3.4
185.13274	10.7
187.11253	1.4
187.14818	22.8
189.12874	3.0
189.16371	19.9
191.10692	1.4
191.14336	2.9
191.17963	9.7
193.12274	1.6
193.15927	1.9
195.17484	2.6
197.11623	0.7
197.13251	3.9
199.14816	8.8
201.03999	0.8
201.12744	1.0
201.16383	25.4
203.10663	0.8
203.14331	4.8
203.17958	26.5
205.12315	2.5
205.15887	8.1
205.19533	2.4
207.13794	2.3
207.17444	6.7
209.13370	0.9
211.14848	4.0
213.16408	7.9
215.14455	1.3
215.17975	12.9
217.12251	1.9
217.16013	4.4
217.19514	12.1
219.13846	5.3
219.17412	5.0
219.20923	0.8
221.15398	1.7
221.19009	3.5
223.14868	0.8
225.16396	2.7
227.17932	4.1
229.15868	1.9
229.19554	2.4
231.13834	3.1
231.17503	2.2
231.21062	0.9
233.15387	12.7
233.18886	4.2
235.13242	1.5
235.16893	0.9
235.20520	1.4
237.14627	1.3
239.17961	2.5
239.42729	0.7
241.19502	2.3
243.13869	1.7
243.21201	2.7
245.15340	5.0
245.19110	1.8
247.16943	10.8
249.14966	1.0
249.18684	0.7
251.16484	2.2
253.19501	2.3
255.08665	2.8
257.15442	2.2
257.19049	0.7
259.08261	0.8
259.16968	6.1
259.20486	0.8
261.14996	1.0
261.18582	0.8
261.22321	1.2
263.16504	2.6
267.21024	1.2
269.08316	7.4
269.19070	0.8
269.22711	0.9
271.17056	1.6
271.20581	0.9
273.09763	2.0
273.18527	2.8
275.16531	2.6
277.17868	6.1
279.21027	0.8
283.16846	0.8
285.18640	1.5
287.07669	1.7
287.20096	2.7
289.18188	1.3
291.19510	6.6
297.18665	0.9
297.22086	0.8
299.20087	2.7
301.21503	0.8
303.19440	2.6
305.08664	7.5
305.21152	5.2
309.11856	2.5
311.19980	0.8
313.21622	1.1
315.19681	0.8
317.21091	1.5
321.08157	1.2
323.09830	1.0
325.21542	1.3
326.11224	0.7
327.23285	1.8
331.22833	0.9
339.09174	0.8
341.25061	1.0
343.22614	1.4
345.24265	1.8
349.29111	1.4
357.24271	0.9
359.25980	1.9
365.19675	1.3
367.29837	1.0
379.21249	0.7
389.32095	4.2
395.29343	7.7
395.33771	0.8
407.33139	14.6
408.33023	0.7
409.34662	1.0
413.30542	13.5
417.31668	1.3
423.32623	6.0
425.34073	9.2
435.32602	27.3
436.32950	0.9
441.33688	16.3
453.33661	100.0
454.34030	2.2
455.35318	1.5
471.34744	60.1
472.34973	1.7
565.34869	1.5
583.35956	1.5
593.34412	1.3
611.35779	3.2
629.36761	5.6
699.93451	0.6
700.07489	0.7
779.41614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.8
69.06718	1.1
69.07072	14.2
71.04987	2.5
71.08614	0.8
71.27085	0.8
73.02932	2.8
74.81873	0.7
77.03927	1.1
79.05495	43.9
81.03415	2.3
81.07059	58.5
83.04980	3.9
83.08620	7.2
85.02906	9.6
85.06531	2.3
88.81594	0.5
91.03960	7.0
91.05484	37.7
93.07047	50.6
93.22588	0.7
95.04971	5.5
95.08608	46.2
97.02914	6.0
97.06535	3.6
97.10168	3.5
99.04455	1.3
99.08085	2.6
103.05454	0.8
105.04513	2.0
105.07034	31.7
107.04990	0.8
107.08596	28.1
109.02921	0.7
109.06535	3.8
109.09461	1.0
109.10163	17.0
111.04439	0.7
111.08076	2.5
113.09675	1.5
115.05461	1.0
116.18034	0.6
117.07015	11.9
119.08586	24.9
121.06487	1.2
121.10148	25.0
123.08075	2.7
123.11714	5.2
125.09613	1.5
127.03912	2.3
128.06218	1.2
129.05479	1.1
129.06990	4.6
130.07741	0.7
131.08572	18.7
133.10136	21.3
135.08000	1.2
135.11702	16.9
137.09615	2.5
137.13255	2.2
139.11171	0.7
143.08574	4.5
145.04965	1.6
145.10127	15.7
147.11690	17.1
149.09630	1.7
149.13261	8.6
151.11176	1.2
153.44917	0.6
155.08566	1.0
157.10155	4.6
159.11700	12.1
161.13281	8.5
163.06033	1.9
163.11142	1.1
163.14842	3.1
165.12671	0.8
169.10085	1.0
171.11703	5.2
173.13263	8.9
175.11143	0.8
175.14876	3.9
177.12755	1.2
177.16490	0.6
181.10034	1.1
183.11696	1.3
185.13290	4.8
187.14821	7.4
189.16394	1.3
195.13797	0.9
197.13239	0.8
199.14836	3.2
201.16423	1.9
203.14310	0.8
203.17989	0.9
205.15837	3.5
211.14885	0.9
213.16402	1.5
215.17970	0.8
217.16000	0.8
219.17355	0.8
221.19070	1.4
227.17772	0.8
231.21078	1.7
235.16942	0.9
237.16434	0.8
239.17973	1.7
241.19588	7.4
243.21039	2.0
257.19046	2.5
259.20581	21.0
261.22131	6.7
269.17581	0.7
273.44077	0.6
275.20148	1.3
277.21603	16.2
279.23190	1.1
289.21811	0.7
293.21112	1.6
295.22751	1.1
315.23206	1.4
317.24716	1.7
330.65686	0.6
331.22729	1.0
333.24240	15.2
333.28192	1.0
335.25809	100.0
336.26178	1.8
337.27539	2.8
351.25317	32.5
353.28574	0.7
353.62573	0.6
367.22784	0.7
409.30734	0.7
417.82510	0.7
489.35312	1.3
495.29639	1.1
519.42194	1.7
529.38837	3.1
553.42279	1.1
557.42255	0.7
571.43506	1.7
593.45941	3.7
611.46747	45.9
612.46710	1.5
629.48035	1.3
681.41296	0.9
755.51184	1.0
970.58246	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	970.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33505	2.4
69.03428	5.6
69.07070	23.3
71.04989	4.4
73.02921	3.8
79.05495	89.8
81.03432	4.8
81.07062	81.8
82.82579	3.4
83.04984	4.9
83.08638	10.0
85.02898	18.0
85.06531	3.0
91.03966	11.2
91.05484	73.1
93.07050	98.9
95.04985	12.4
95.08611	76.2
97.02914	7.8
97.06521	6.7
98.20747	8.0
99.08105	3.0
105.04552	3.1
105.07039	81.4
107.04900	2.4
107.08598	46.8
109.06521	4.9
109.10155	28.4
111.08076	3.0
115.05498	4.7
117.07035	26.0
119.08596	63.8
121.10150	42.6
123.08070	4.1
123.11712	6.9
124.46478	2.2
125.09671	2.7
127.03923	5.8
129.07016	13.3
130.07787	4.4
131.08580	37.7
133.10133	46.9
135.11725	30.3
143.08574	17.3
145.05003	8.9
145.10138	34.8
147.11702	44.7
149.13298	15.9
151.11185	3.7
157.10144	10.1
159.11708	27.7
161.13274	27.2
163.06006	8.9
163.11186	3.3
163.14835	5.0
169.10257	3.8
171.11652	15.8
173.13257	19.0
175.14861	8.1
177.12756	3.6
181.10120	3.4
183.11699	4.5
185.13235	13.2
187.14888	6.4
194.99501	2.4
195.11679	2.8
197.13257	4.2
199.14954	4.5
201.16478	2.8
203.06941	3.3
213.16476	3.0
215.18210	2.8
219.66461	2.8
231.21213	4.0
239.17949	3.3
241.19501	26.1
243.21121	6.7
257.19086	8.8
259.17984	4.8
259.20602	63.3
260.21027	3.2
261.22147	12.0
274.01611	2.6
277.21701	4.4
315.23135	8.5
333.24268	55.9
335.25818	100.0
351.25549	3.6
519.41791	8.4
537.42816	3.2
593.45868	15.6
611.46753	86.6
612.47125	6.7
665.46539	3.5
719.49072	4.9
755.50378	4.8
962.67621	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	970.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	5.6
69.07062	2.7
69.64732	5.2
71.05009	3.9
73.02919	2.0
79.05489	2.9
81.03416	5.0
81.07082	3.9
83.04983	2.6
83.08606	3.1
85.02417	1.3
85.02905	15.9
85.06567	4.9
87.00833	6.4
87.04502	0.9
91.05466	2.4
93.07050	10.6
95.04988	5.7
95.08031	1.2
95.08616	13.6
97.02914	5.4
97.06519	1.4
97.10124	0.9
98.21541	0.9
98.97549	0.7
99.04443	5.8
99.08100	57.0
101.06033	2.0
105.01862	5.5
105.06984	1.9
107.08596	8.9
109.02879	6.6
109.10171	19.4
111.08098	1.1
111.11761	1.0
113.06001	1.4
117.01847	0.8
119.08591	4.8
121.10152	5.4
123.11699	3.2
125.09666	2.6
127.03934	13.4
127.07506	0.9
131.04982	0.9
133.10127	9.8
135.08130	1.2
135.11713	13.2
137.09615	8.0
145.04996	4.3
149.13226	1.6
151.14847	2.1
152.05771	0.8
153.12733	3.7
155.10675	14.1
159.02887	4.6
165.16389	2.2
175.14821	8.7
193.15891	34.7
193.17665	1.8
203.20782	1.0
211.16940	66.4
212.96323	0.8
219.47705	0.8
229.17903	0.9
231.05006	2.0
249.06003	1.2
382.59042	0.9
459.22290	100.0
460.22339	2.3
469.47989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5854
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	4.0
69.03429	3.3
69.07079	1.2
71.55962	0.6
72.61945	0.6
73.02911	3.3
79.05503	2.3
81.03402	1.1
81.07067	4.3
85.02911	5.9
91.03967	3.7
91.05500	1.9
93.07030	3.1
95.08601	3.3
97.02892	5.6
99.04457	1.0
101.02403	1.5
105.07078	0.6
107.08632	0.9
109.10213	0.9
119.08654	0.7
121.36341	0.9
126.42822	0.6
127.03944	1.3
132.13904	0.7
138.32281	0.7
152.17752	0.5
185.04289	0.8
243.08455	1.1
261.22388	0.7
326.20959	0.6
335.25879	1.0
341.30722	0.9
347.09653	2.0
365.10800	1.1
405.13718	4.7
519.29492	4.6
521.30975	1.9
681.34442	5.0
683.36334	4.4
799.53271	0.9
961.58521	100.0
962.58795	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	964.6208
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05171	1.9
67.05509	26.2
69.03448	2.3
69.07071	13.5
71.05009	3.0
71.08640	19.2
71.58712	2.1
73.02926	2.4
79.05503	25.2
81.03406	3.7
81.07058	38.8
83.08610	13.8
85.02914	8.0
85.06537	3.4
85.10185	7.7
89.06055	2.8
89.18398	1.6
91.03948	4.8
91.04957	3.2
91.05489	44.7
93.07039	25.2
95.04958	4.2
95.06193	1.7
95.08613	37.3
97.02906	5.5
97.06544	2.4
97.10170	7.1
99.08092	4.1
103.05489	2.1
103.07545	1.7
105.04545	2.2
105.07043	33.2
107.04975	2.5
107.08601	18.4
109.06544	4.6
109.10159	12.4
111.08073	2.7
115.05480	3.4
117.07041	19.8
119.08579	30.5
121.06498	2.8
121.10133	10.4
123.11697	3.5
125.09666	2.2
127.03912	2.4
128.06274	2.8
129.07011	13.3
130.07784	2.6
131.08591	23.4
133.10135	15.6
135.11681	4.9
136.81248	1.7
137.09619	2.1
137.13277	2.0
141.07011	4.6
142.07855	2.6
143.08557	16.3
145.04982	2.1
145.10135	29.5
147.08044	2.6
147.11693	13.9
149.09619	7.0
149.13138	2.3
155.08607	4.8
157.10135	12.3
159.11720	23.9
161.09656	3.2
161.13306	4.2
163.11156	5.2
169.10153	7.7
171.11717	7.4
173.13272	12.5
175.14789	3.8
183.11717	5.2
185.13266	19.9
187.14703	3.2
197.13228	4.1
199.14919	2.1
201.16316	3.0
203.14316	7.3
213.16472	2.5
217.15887	3.1
219.17438	9.0
229.19623	4.5
239.17967	11.3
239.23746	2.8
257.19016	34.0
265.17859	2.3
267.10199	2.3
275.17184	3.6
275.20056	32.8
276.20660	2.0
313.27393	100.0
331.22665	12.4
349.23752	40.5
400.49274	1.8
462.55872	1.8
547.58014	1.8
569.45325	3.4
587.46759	77.7
588.47247	3.1
599.46771	1.8
806.73206	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	956.6311
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	89.3
69.03424	4.2
69.07068	30.4
69.86150	2.1
70.10060	5.3
71.08624	3.1
73.02919	5.8
79.05499	46.1
81.07060	100.0
83.08620	20.4
85.02904	22.8
91.03967	16.5
91.04958	2.8
91.05490	29.6
93.07047	57.1
95.04977	2.6
95.08610	82.5
97.02895	13.8
97.06553	4.2
97.10179	8.1
99.08115	3.0
102.00414	2.2
105.07047	25.0
107.08599	31.6
109.10162	31.7
117.07043	5.1
119.08590	22.2
121.10151	31.5
123.11707	17.8
124.76254	2.4
125.09657	2.5
127.03917	8.2
128.01503	2.0
129.06960	2.0
131.08560	15.2
133.10143	17.3
135.11697	19.7
137.13255	7.4
145.04977	9.3
145.10126	10.4
147.11708	14.1
149.13255	13.9
151.14836	3.2
159.11682	7.7
161.13293	10.2
163.06081	10.6
163.07237	2.0
163.14809	3.6
171.11693	3.5
173.13283	5.5
175.14835	6.3
185.13252	2.7
185.67543	1.9
187.14839	5.8
189.16415	3.4
203.18135	2.4
215.18063	2.5
241.19530	3.4
243.21124	8.6
245.22588	2.9
259.20551	7.3
261.22183	28.6
262.22385	3.1
263.23526	4.9
275.24088	2.9
296.40680	2.2
312.42059	2.1
317.24570	4.1
333.24231	7.6
335.25824	87.0
336.26196	6.8
337.27362	96.1
339.28806	6.7
531.40729	2.3
597.48749	40.7
615.49829	53.4
616.50891	2.5
899.98364	2.7
948.31946	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6156
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	49.4
69.03426	2.0
69.07064	12.8
70.29263	0.6
70.77580	1.2
71.04994	1.4
71.56357	0.6
73.02922	3.8
79.05494	32.4
81.03428	1.3
81.07059	53.5
83.04990	1.4
83.08626	6.7
85.02911	14.3
85.06535	2.0
85.07706	0.9
91.03961	10.2
91.05483	22.3
93.07048	38.7
95.04984	3.3
95.08611	42.1
97.02339	1.0
97.02903	8.3
97.06538	2.5
97.10181	3.4
97.19427	0.7
99.04446	1.4
99.08102	1.5
105.04554	1.3
105.07029	17.1
107.07864	1.2
107.08597	24.1
109.06518	0.7
109.09445	1.2
109.10165	19.3
111.08085	1.4
111.11720	1.0
117.07032	6.3
119.08584	15.1
121.10151	17.6
123.08076	1.5
123.11720	9.3
125.09618	1.2
127.03955	4.0
129.07019	2.1
130.07838	0.6
131.07692	1.0
131.08574	10.1
133.10141	13.1
135.11693	14.8
137.09613	1.0
137.13243	3.0
139.11188	0.8
143.08600	2.9
145.04948	4.9
145.10110	8.9
147.11696	9.9
149.13272	9.4
151.14868	1.3
157.10167	1.8
159.11694	9.0
161.13258	9.3
163.06033	8.7
163.11221	0.9
163.14821	4.8
167.14479	0.8
171.11702	2.3
173.13264	7.0
175.14818	3.2
177.12740	0.8
177.16400	1.2
183.11624	0.7
185.13243	2.5
187.14816	4.1
189.16365	1.1
199.14836	2.1
201.16431	1.4
207.17381	0.7
213.16476	0.8
215.17982	1.3
223.14665	0.8
229.19513	0.7
233.22737	0.9
241.19734	3.8
243.21048	6.1
245.22684	0.9
249.22580	0.7
259.20657	8.6
261.22153	19.6
263.23743	2.3
273.22110	0.9
277.21588	1.0
279.23245	1.4
299.23636	0.8
313.25073	0.8
315.37421	0.6
317.24832	3.6
333.24197	7.6
335.25812	100.0
336.26010	1.5
337.27408	11.5
461.24283	0.8
489.35941	0.9
521.43872	3.2
539.44476	0.9
543.40125	1.0
550.11230	0.7
553.08868	0.7
595.47217	18.1
595.56165	0.6
613.48285	22.3
655.89154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05165	1.2
67.05507	14.4
69.03429	4.0
69.07067	10.0
69.32735	6.8
71.01358	2.4
71.04997	36.5
73.02921	7.9
74.23212	0.8
75.04472	4.6
77.03917	0.9
79.05490	7.7
81.03423	2.3
81.06574	1.4
81.07061	29.2
83.04984	16.1
83.08636	6.3
85.02908	85.6
87.04472	2.3
87.90172	0.7
91.03953	7.2
91.05478	7.8
93.07047	21.8
95.01333	18.4
95.04974	1.5
95.08609	62.0
96.08897	1.1
97.02897	9.4
97.06506	1.9
97.10153	2.7
99.00817	1.7
99.04480	1.3
101.02381	1.3
101.05989	1.2
103.03952	2.9
105.04557	1.0
105.07034	22.7
107.08598	38.0
109.02925	1.5
109.06535	1.5
109.10160	46.7
111.04449	11.1
111.08086	10.8
111.11702	2.1
113.02364	3.4
117.07039	2.2
119.08586	30.9
121.10146	30.2
123.11723	15.6
125.09636	1.1
127.03899	5.8
129.05489	22.5
131.03380	2.0
131.08575	8.4
133.10139	28.2
134.00636	0.8
135.11702	24.5
137.09660	1.0
137.13225	5.7
139.03889	1.1
139.11185	4.9
141.01833	66.8
142.07765	1.0
143.08572	1.6
145.04982	7.2
145.10132	13.0
147.06531	12.7
147.11694	22.8
149.13263	20.7
151.11212	1.9
151.14848	1.3
153.12752	1.0
157.10155	3.5
159.02911	12.1
159.11703	17.0
160.12459	0.8
161.13260	24.1
163.06018	10.7
163.11122	1.3
163.14827	19.0
165.12767	3.4
169.10086	1.1
171.06551	0.8
171.11696	2.6
173.13271	12.4
175.14835	19.5
177.03972	2.7
177.12849	1.6
177.16399	18.7
179.14330	1.3
179.17957	1.8
185.13310	3.5
187.14819	13.1
189.16393	19.4
191.14378	1.3
191.17950	10.9
193.15910	4.7
195.17448	5.8
199.14842	3.5
201.16402	17.7
203.17969	29.3
205.15903	6.0
205.19470	3.6
207.17421	7.8
213.16412	4.1
215.17963	15.3
217.15955	2.9
217.19507	18.4
219.17430	9.0
219.20946	1.1
221.19014	10.8
227.17979	6.2
229.19518	16.3
231.17497	1.8
231.21107	2.3
233.19012	8.0
235.20575	1.5
239.17996	1.0
241.19553	3.0
243.21065	5.2
245.19051	4.2
245.22784	0.8
247.20615	12.4
253.19461	1.0
255.08675	1.9
255.21059	4.7
257.22626	3.9
259.20505	1.9
261.22174	2.8
267.21133	1.2
269.06577	1.0
269.22656	3.8
271.24197	2.6
273.09671	1.2
273.22147	2.2
275.23740	3.4
281.22650	1.2
283.24295	3.5
285.22076	0.9
285.25754	1.0
287.07620	2.9
287.23773	1.8
295.24356	2.1
297.25745	3.1
301.25323	1.4
305.08649	5.9
309.11719	2.7
311.27319	1.5
313.25296	2.1
315.26901	4.1
321.08176	0.8
323.09766	1.7
329.28528	1.5
339.09467	0.9
351.18057	0.9
351.30566	1.3
365.19553	1.0
365.32040	5.1
369.31689	1.1
383.32996	7.1
393.35071	1.0
405.35214	16.1
411.36121	2.9
421.35068	1.3
423.36218	100.0
424.36612	3.0
441.37305	85.6
442.37680	3.0
581.38300	6.9
599.39404	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5995
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05222	1.0
67.05507	10.2
69.03428	1.5
69.07071	5.7
69.79118	1.1
71.04981	1.8
71.08633	18.2
71.58879	1.2
73.02905	0.9
78.14982	0.9
79.05492	8.8
81.03419	51.3
81.07062	15.8
81.25325	1.1
83.04976	2.9
83.08624	15.2
85.02894	3.6
85.10186	13.7
88.39985	0.8
89.06026	2.1
91.03941	2.0
91.05479	9.1
93.07037	4.8
95.04977	15.6
95.08047	1.3
95.08611	15.8
97.02888	3.0
97.06526	1.6
97.10188	6.2
105.07046	7.5
107.04922	3.6
107.08593	1.9
109.06519	1.9
109.10174	7.1
111.04440	1.1
111.08086	4.7
111.11736	2.0
119.04942	1.1
119.08574	6.8
121.06496	2.4
121.10130	4.1
123.04405	2.1
123.11681	3.4
125.09644	1.5
127.03909	1.6
129.06993	4.4
131.08545	4.7
133.06479	1.7
133.10107	3.6
135.11711	1.4
137.09677	1.2
137.13222	1.4
142.07773	1.4
145.04927	2.0
145.32741	0.9
147.04327	1.5
147.08034	1.8
147.11659	5.2
149.09595	2.4
157.10158	6.8
163.06000	2.5
168.01160	1.0
175.11215	5.6
193.12251	21.1
235.13283	1.1
244.97356	1.1
259.13287	2.1
267.15921	100.0
268.16263	1.8
285.27783	2.4
301.14285	2.4
309.17014	2.6
333.16818	1.5
341.30511	98.5
342.30646	2.5
356.25558	1.1
385.41403	1.3
387.35107	1.1
408.58243	1.1
465.69055	1.1
533.42047	88.2
534.42126	3.7
544.13190	1.0
575.42920	5.7
629.43677	2.9
641.43890	1.7
659.45148	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	941.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.9
69.03437	3.4
69.07090	0.7
71.05000	0.8
71.57839	0.6
73.02921	3.1
79.05529	1.9
81.03431	3.0
81.07057	2.7
83.08633	0.8
85.02910	5.5
91.03981	2.1
91.05479	2.4
93.07026	1.8
95.04993	0.8
95.08636	1.7
97.02908	5.7
99.04491	0.5
101.02411	1.7
103.03977	0.4
105.07079	1.2
107.08626	1.0
108.82556	0.3
109.02921	0.4
109.10194	0.6
117.07030	0.3
119.08641	1.2
121.10200	1.6
121.63286	0.4
127.03959	1.6
129.07008	0.5
131.08638	1.0
133.10205	0.8
135.11729	0.5
145.05038	0.4
147.11736	0.8
149.09700	1.1
157.10149	0.7
170.72958	0.4
175.11336	0.6
180.89867	0.4
185.04242	0.9
185.31647	0.4
193.12352	1.1
203.05394	0.9
243.08466	2.2
267.16022	0.9
283.15231	3.1
285.97238	0.4
287.47784	0.4
301.20154	0.4
339.18033	0.7
347.09430	2.4
363.09244	0.5
365.10953	1.5
405.13666	6.7
501.23068	9.5
501.30243	0.5
519.29279	4.8
586.58984	0.4
603.26715	0.5
663.28479	7.4
681.34515	4.1
779.45538	1.9
941.50867	100.0
942.51056	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	937.586
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.9
69.03434	2.9
69.07077	0.6
70.74978	0.6
71.04990	0.5
71.08644	0.7
73.02921	3.6
79.05526	1.3
81.03437	1.4
81.07069	2.1
83.08640	0.5
85.02911	5.3
85.10207	0.5
87.04458	0.3
91.03957	3.1
91.05497	0.7
93.07038	1.5
95.08614	2.1
96.46324	0.3
97.02899	4.5
98.30009	0.2
99.04488	0.8
101.02380	1.6
103.03979	0.3
105.07013	0.4
107.08634	0.6
109.02895	0.7
109.10172	0.9
115.03925	0.5
121.10167	0.6
127.03932	1.7
127.30121	0.2
131.08588	0.4
133.10130	0.5
135.11734	0.3
145.05092	0.3
185.04300	1.0
203.05403	0.6
243.08461	1.6
250.76863	0.3
313.27380	0.4
335.26022	0.6
347.09448	2.5
363.09128	0.3
365.10901	0.8
390.53360	0.3
405.13696	4.6
456.13031	0.3
497.30917	3.3
519.29388	5.4
544.75818	0.3
547.81104	0.3
659.36078	3.4
681.34656	6.2
775.53577	1.1
890.51276	0.4
937.58600	100.0
938.58960	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	936.553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.6
67.05508	58.9
68.08210	1.1
69.03442	5.4
69.07069	14.6
69.26454	3.0
69.26857	7.2
71.04991	5.2
73.02908	3.3
79.05495	43.1
81.03423	89.8
81.07063	64.8
83.04980	8.4
83.08624	26.1
85.02909	9.4
85.06547	2.8
90.67481	1.1
91.03961	4.8
91.05486	35.8
93.07047	47.2
95.04977	31.8
95.08610	45.9
96.59956	1.3
97.02906	9.0
97.06518	4.9
97.10176	7.4
103.05478	1.3
105.06384	2.1
105.07035	28.7
107.04975	7.7
107.05577	1.3
107.08601	28.9
109.02896	1.8
109.06534	5.9
109.10165	22.7
111.04417	1.5
111.08081	9.6
115.05452	2.4
117.07010	9.8
119.04960	2.0
119.07788	1.8
119.08588	24.7
121.06492	6.3
121.09305	2.0
121.10146	28.0
123.04407	3.0
123.08039	5.2
123.11716	8.0
125.09637	6.6
127.03918	2.6
129.07022	12.2
131.08585	22.9
133.06497	2.5
133.10136	15.6
135.08047	2.2
135.11708	14.2
137.09589	3.4
137.13286	1.6
142.07764	2.5
143.08568	2.7
145.04971	3.5
145.06223	1.1
145.10127	14.8
147.04453	1.5
147.08066	5.4
147.11691	16.5
149.09628	9.0
149.13284	7.4
151.07767	1.3
151.11183	1.6
155.08546	2.5
157.10143	14.8
159.11751	9.7
161.13295	6.0
163.05997	4.0
163.11192	4.2
163.14822	3.8
165.12772	3.4
169.10097	1.8
171.11681	2.7
173.13260	7.1
175.11198	10.0
175.14807	3.5
177.16330	1.4
181.10042	1.4
185.13303	3.1
187.14827	2.9
189.11221	3.8
189.16457	1.4
191.10741	1.2
193.12242	22.3
197.13284	2.0
205.12186	1.5
209.13193	1.7
211.13219	2.4
227.12820	9.0
235.13252	2.4
243.21115	4.8
243.23593	1.2
249.14801	4.8
259.13330	2.5
259.20590	1.7
261.22134	18.3
267.15927	100.0
268.16263	1.1
269.35223	1.2
273.14813	2.1
285.22214	1.8
299.23788	1.2
301.14542	1.6
301.25314	7.1
309.16971	4.0
317.24817	3.5
333.16467	1.4
333.24097	1.3
335.25815	76.3
336.26074	1.8
359.25726	2.4
389.23618	1.3
417.31570	1.7
421.25604	3.6
435.27377	2.9
435.32565	6.2
449.28818	1.2
453.33777	7.7
471.34549	4.9
475.30301	1.8
509.36118	3.2
527.37372	65.5
528.37494	1.5
545.38428	68.9
546.38464	3.2
559.39703	2.8
569.38342	6.6
577.41272	1.4
623.39160	2.6
635.39185	2.8
653.39978	3.0
671.41278	1.8
706.00775	1.4
744.40387	1.2
910.32849	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.2
67.05509	36.9
69.03422	1.2
69.07072	9.9
71.05004	1.3
71.08636	20.9
71.49151	1.1
73.02914	3.7
79.05493	19.8
81.03416	1.4
81.07061	40.8
83.08628	9.5
85.02911	15.7
85.06541	1.4
85.10185	10.5
89.06027	1.6
91.03969	10.9
91.05486	11.7
91.15417	0.6
93.07048	25.1
95.04984	2.5
95.08613	40.1
97.02903	8.4
97.06551	1.5
97.10172	4.3
99.08134	0.8
100.20689	0.9
103.07587	0.9
105.07024	8.8
107.08604	16.9
109.06494	0.7
109.10156	18.8
111.08115	1.1
111.11713	1.0
117.07024	2.7
119.08590	8.5
121.10151	13.0
123.11707	7.6
124.52296	0.7
127.03905	5.1
131.08583	7.0
133.10146	7.4
135.11696	10.8
137.13307	3.4
145.04973	5.2
145.10143	5.2
146.14302	0.7
147.11713	4.4
149.13248	6.9
153.12688	0.7
159.11726	5.5
160.26732	0.7
161.13257	4.3
163.06044	6.8
163.14835	3.6
173.13277	5.4
175.14828	1.3
177.16396	2.8
187.14847	3.2
215.18401	0.7
215.20566	0.8
223.16705	0.7
233.22610	1.1
239.23798	3.8
243.21089	10.1
257.24805	1.7
261.22165	41.9
279.23029	1.1
313.27386	100.0
314.27686	2.9
317.24805	6.5
335.25818	84.2
336.26035	1.9
499.44937	1.8
573.48822	43.5
574.48468	1.5
582.90710	0.7
591.49890	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	923.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.1
69.03429	3.1
69.07069	0.5
71.01366	0.8
71.04990	2.0
71.42187	0.4
71.56346	0.5
71.76331	0.4
73.02922	4.1
79.05503	2.6
81.03419	4.8
81.07069	2.4
83.04973	0.6
83.08643	0.9
85.02900	5.4
85.06559	0.5
87.04492	0.7
91.03947	2.7
91.05481	2.3
93.07040	2.7
95.05003	2.0
95.08642	1.3
97.02898	5.7
97.06526	0.6
98.97617	0.8
99.04443	0.8
101.02409	1.8
103.03950	0.7
105.07018	2.3
107.08635	1.6
108.36739	0.4
109.02905	1.1
109.06536	0.6
109.10178	1.2
111.04468	0.5
111.08128	0.4
115.03948	0.5
119.08611	1.6
121.06550	0.5
121.10155	2.5
123.08033	0.6
127.03919	2.6
129.07037	1.0
131.08560	2.4
133.10135	2.3
137.06052	0.8
141.05623	0.4
143.08636	0.4
145.04956	0.7
145.10179	0.5
147.04422	0.8
147.11792	1.3
149.06000	0.6
149.09624	2.4
156.70662	0.4
157.10251	1.4
159.11781	0.5
160.26714	0.4
175.11273	1.3
177.00768	0.4
177.05502	0.6
185.04372	0.7
185.06244	0.4
193.12334	1.7
203.05333	1.4
211.13257	0.4
225.15009	0.8
243.08469	1.8
267.16064	1.3
271.06082	0.6
283.15186	4.0
299.05460	0.5
339.17957	1.7
347.09528	3.0
365.10864	1.2
381.13504	1.2
405.13730	6.6
409.07895	0.6
409.12988	2.7
410.13232	0.7
469.20755	1.0
501.23117	16.7
502.23535	0.6
567.12726	0.5
599.33154	0.6
611.15857	0.4
645.27368	0.6
663.28351	17.1
664.29034	0.9
717.23151	0.5
743.39191	0.6
761.38989	2.8
905.44989	0.9
923.44617	100.0
924.45013	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	919.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.4
69.03434	3.4
69.07079	0.5
71.01360	0.8
71.05003	0.9
71.08647	1.0
73.02919	3.0
79.05495	1.5
81.03422	3.1
81.07051	1.5
83.05001	0.5
83.08648	0.9
85.02908	5.8
85.10202	0.5
85.40432	0.3
87.04482	0.6
91.03972	2.4
91.05482	2.2
93.07063	1.2
95.04994	1.0
95.08630	1.5
97.02898	5.6
97.06502	0.3
98.21449	0.7
99.04490	1.1
101.02385	1.7
103.03982	0.4
105.07052	0.8
107.08611	0.9
109.02894	0.6
109.10223	0.6
115.03928	0.5
119.08591	0.6
121.10213	0.4
127.03954	1.3
129.07063	0.3
131.08594	1.0
133.10202	1.0
145.04997	0.3
147.11725	0.6
149.09656	0.9
157.10120	0.6
175.11258	0.7
185.04297	0.9
193.12363	1.2
203.05290	0.8
203.07040	0.4
221.33650	0.3
230.70049	0.3
240.72545	0.3
243.06221	0.3
243.08470	1.6
267.10205	0.4
267.16049	0.6
283.15170	2.3
313.27490	0.6
339.17950	0.7
347.09521	2.6
365.10764	1.0
405.13715	6.4
441.20816	0.5
469.20279	0.4
497.30911	4.5
501.23068	10.2
519.07318	0.3
609.69751	0.4
630.47009	0.3
659.36182	4.2
663.28351	8.2
714.79047	0.4
757.46930	2.3
816.89288	0.3
919.52411	100.0
920.52777	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	918.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75967	0.7
67.05511	15.3
67.72038	0.7
69.03425	3.9
69.07069	4.5
69.57700	2.7
69.58123	2.4
70.57451	0.7
71.05000	3.0
79.05049	1.4
79.05495	18.7
81.03420	43.6
81.07056	15.6
83.04972	4.2
83.08627	13.9
85.02923	3.9
85.06548	1.3
90.71997	0.7
91.03949	1.2
91.05480	14.4
93.07051	14.1
95.04978	22.9
95.08617	7.0
97.02899	2.5
97.06541	2.7
97.10181	13.7
98.97592	1.2
99.04436	1.0
101.79042	0.7
103.05464	0.7
105.04494	0.9
105.07037	12.6
107.04969	12.2
107.08604	11.4
109.02911	1.5
109.06517	7.9
109.10146	6.9
111.04445	1.5
111.08096	4.9
115.05468	1.8
116.98611	0.8
117.07025	4.5
119.04969	2.1
119.08591	10.8
121.06525	9.8
121.10174	7.6
123.04457	2.6
123.08076	3.9
123.11724	1.3
125.06009	1.4
125.09641	13.7
127.03942	1.4
129.07008	8.5
131.04944	2.3
131.08572	10.7
133.06491	4.0
133.10144	5.1
135.04451	1.0
135.08038	4.5
135.11668	1.4
137.06004	1.5
137.09637	1.6
139.11185	1.3
141.06990	1.1
142.07799	1.6
143.08594	1.6
145.06477	6.0
145.10135	4.5
147.04391	2.3
147.08090	4.4
147.11693	6.0
149.09621	4.7
151.07491	1.1
153.09137	2.4
155.08591	1.7
157.06494	2.4
157.10165	6.2
159.08089	2.3
159.11690	2.7
161.05980	1.4
161.09647	2.2
163.03825	0.9
163.11188	3.6
165.12740	1.0
167.10677	1.5
169.10136	1.5
171.08057	2.5
171.10271	1.0
171.11725	2.7
173.09668	1.8
173.13249	2.3
175.07513	0.9
175.11188	6.5
177.05420	0.9
177.12828	1.0
181.10176	1.1
185.09680	1.2
185.13260	1.5
187.11157	1.2
187.14784	1.3
189.11209	4.9
189.12804	2.0
191.14424	1.7
193.12263	15.5
195.11720	1.6
197.09720	1.2
197.13344	1.4
199.11214	2.2
199.13213	1.0
203.14412	1.1
205.12347	2.3
209.13303	1.1
211.13309	1.2
215.14365	2.2
217.12230	1.4
219.13837	2.7
227.12662	2.0
231.13942	1.5
233.15356	4.1
235.13242	1.4
237.02850	1.7
237.12744	1.1
249.14946	1.6
255.13838	2.4
257.15393	1.2
259.13324	2.1
267.15936	42.8
269.15472	1.3
273.14810	6.5
273.17236	0.8
293.17627	1.9
309.16949	1.4
323.09268	0.8
339.23203	3.0
345.06509	0.9
349.21561	4.5
357.24298	2.2
367.22717	12.7
381.13525	5.7
382.01343	0.8
384.24658	0.8
385.23767	20.1
385.28375	1.6
403.24979	6.1
409.12830	8.1
410.13138	1.3
441.26364	9.2
459.27451	100.0
460.27719	5.4
471.09668	1.7
477.28510	91.4
478.28998	3.6
491.30048	12.6
501.28339	5.4
509.30945	4.7
513.10553	2.3
513.28400	1.7
531.29443	2.2
541.33655	0.9
543.29468	2.2
555.30078	0.9
567.29688	5.1
585.30640	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	914.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.5
67.05508	11.8
67.15171	0.5
69.03391	1.6
69.06728	0.4
69.07069	5.5
69.30836	1.0
69.31248	3.5
71.04962	1.6
71.08637	19.0
73.02892	1.3
79.05499	5.7
80.32243	0.5
81.03423	53.3
81.07061	13.8
83.04964	3.4
83.08626	18.0
85.02904	3.7
85.06519	0.5
85.10186	10.7
89.06001	0.9
91.03962	3.4
91.04974	0.7
91.05487	8.6
93.07060	5.3
95.04976	16.5
95.08611	15.7
97.02882	4.1
97.06512	1.2
97.10167	4.1
99.08055	0.6
103.05439	0.8
103.07536	1.0
105.07037	6.6
107.04958	3.6
107.08575	2.8
107.60691	0.5
109.06472	2.2
109.09576	0.5
109.10170	6.2
111.04426	1.8
111.08071	4.7
111.11674	0.6
115.05399	0.9
117.06963	1.2
118.26800	0.5
119.04954	0.6
119.08596	7.4
121.06464	1.5
121.10174	3.8
123.04404	1.7
123.08044	0.9
123.11724	3.2
125.09592	0.8
127.03896	1.5
129.07014	6.3
131.04819	0.6
131.08569	4.3
133.06509	2.5
133.10132	2.8
137.09651	0.8
137.13220	1.1
142.07755	1.8
143.08456	0.6
145.04924	1.7
145.10095	0.6
147.04381	1.1
147.08032	1.9
147.11685	4.6
149.09625	3.8
157.10153	6.4
163.05994	1.8
163.11131	1.3
164.57925	0.5
165.12720	1.6
174.66692	0.5
175.11205	6.8
193.12250	22.0
211.13263	1.5
223.13229	0.7
231.13817	0.5
235.13290	1.2
239.23660	2.2
249.14857	1.7
257.24774	2.3
259.13287	1.9
267.15933	100.0
268.16260	2.0
273.14960	1.1
274.94659	0.5
301.14331	2.0
309.16995	2.7
309.47427	0.5
313.27386	96.7
314.27621	1.7
319.15405	0.8
333.17020	0.6
353.85739	0.5
357.07462	0.6
505.38931	77.0
506.39386	2.1
523.40295	1.5
547.40039	6.4
589.41016	0.8
601.41193	2.8
613.41095	1.7
631.42133	1.9
649.43359	1.0
851.05072	0.6
914.51288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.8
67.05170	1.0
67.05506	14.1
69.03414	2.0
69.07069	7.0
71.04993	1.5
71.08634	20.6
71.58589	0.7
73.02907	1.7
79.05499	8.4
81.03421	64.2
81.07058	16.7
83.04991	3.6
83.08140	1.4
83.08620	20.2
85.02922	5.1
85.09705	1.1
85.10186	12.3
89.06033	0.7
91.03944	4.2
91.05486	13.4
91.71098	0.6
93.07056	5.8
95.04972	18.3
95.08612	18.3
97.02890	4.4
97.06528	1.5
97.09731	0.6
97.10187	5.3
99.11691	0.8
101.80495	0.6
103.05410	0.7
105.07040	8.3
107.04935	3.8
107.08580	2.7
109.06497	2.2
109.10152	7.7
111.04417	1.5
111.08096	4.7
113.05984	0.8
117.07012	1.2
119.04903	0.8
119.08588	8.2
121.06516	1.6
121.10159	4.5
123.04424	1.8
123.08035	1.2
123.11696	3.2
125.09624	1.1
129.07019	8.2
131.08568	4.9
133.06470	2.8
133.10153	3.0
135.11665	0.8
137.09579	1.6
137.13260	1.4
142.07784	2.1
145.04942	2.2
145.10120	1.3
147.04366	0.7
147.08044	2.1
147.11690	5.4
149.09651	3.8
153.39401	0.8
157.10127	8.7
163.06038	3.0
163.11150	1.2
165.12787	1.3
175.11238	5.7
193.12262	24.4
211.13292	2.4
231.13823	0.8
235.13385	0.9
239.23695	2.0
249.15001	1.0
257.24765	1.4
259.13284	2.3
267.15927	100.0
268.16235	1.9
271.09244	0.7
273.14807	1.1
301.14346	2.2
309.17010	2.7
313.27377	95.8
314.27740	2.4
319.15512	0.9
324.42792	0.6
333.16980	0.9
505.38901	78.9
506.39471	3.8
523.39990	1.8
525.07697	0.6
547.39929	6.0
555.40936	0.8
601.40869	2.8
613.40942	1.7
624.16528	0.7
631.42151	1.1
649.43079	1.8
914.51758	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	909.482
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.7
69.03432	3.9
69.07085	0.7
71.01371	0.8
71.04993	0.9
71.58630	0.5
73.02924	5.1
79.05505	2.5
81.03428	2.3
81.07063	3.1
83.04987	0.6
83.08627	0.4
85.02911	7.3
87.04486	0.6
90.07593	0.3
91.03955	3.7
91.05476	2.1
93.07052	2.7
95.04974	0.9
95.08615	2.5
97.02897	6.8
99.04482	1.1
103.03945	0.4
105.07032	2.0
107.08617	1.4
109.02905	1.0
109.10191	1.2
115.03937	0.4
119.08603	0.8
121.10175	1.2
127.03941	1.9
129.05469	0.4
129.07063	0.5
129.87579	0.3
131.08594	0.9
133.10159	1.0
135.11714	0.6
144.09065	0.3
145.05026	0.6
147.11690	0.5
149.67502	0.3
156.26128	0.3
157.10190	0.5
158.28555	0.3
185.04318	0.8
192.69688	0.3
193.12373	0.4
203.05353	0.8
203.07115	0.3
212.96536	0.3
243.08369	2.4
251.12613	0.8
269.12289	0.5
307.15610	0.4
335.26117	0.9
347.09454	2.3
363.09009	0.5
365.10712	0.8
405.13730	6.0
469.20462	4.3
482.34930	0.4
519.29260	5.6
519.36884	0.3
631.25983	3.3
681.34528	7.0
747.42584	1.1
789.16345	0.4
909.48199	100.0
910.48639	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	910.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	19.6
69.03424	4.0
69.07080	10.2
70.61784	2.9
70.81879	1.1
71.04981	3.2
71.08280	1.4
71.08640	17.5
73.02921	3.3
79.05499	13.5
81.03422	37.7
81.07056	21.2
83.04993	9.7
83.08624	22.4
85.02422	1.5
85.02910	23.6
85.06525	1.5
85.10185	12.3
89.06023	2.0
91.03954	5.6
91.04945	1.8
91.05479	19.7
93.07047	13.3
95.04970	16.3
95.08607	16.5
97.02903	6.7
97.06513	4.6
97.10174	5.5
98.21014	2.2
99.08131	1.1
105.07052	14.4
107.04936	4.0
107.08587	4.4
109.02863	1.3
109.06508	2.9
109.10181	7.0
111.04422	1.8
111.08097	6.0
111.11713	1.4
113.06007	1.3
119.08589	11.0
121.06545	1.1
121.10133	6.3
123.08090	2.2
123.11725	4.5
125.09674	1.2
127.03912	2.1
127.61215	0.9
129.07005	8.1
131.08585	6.7
133.06532	2.0
133.10132	7.0
137.13216	1.5
142.07800	2.2
145.04950	2.0
147.11687	10.1
149.09590	4.1
154.55397	1.0
157.10138	11.9
160.23659	0.9
163.06015	3.2
165.12720	1.6
175.11194	11.4
183.08069	1.0
190.15529	0.9
193.12254	30.4
211.13303	42.6
221.97995	0.9
256.28067	1.0
267.15909	15.7
285.16968	60.9
286.17331	1.5
326.63196	1.1
341.30524	62.1
342.30878	1.3
533.42194	13.4
551.43140	100.0
552.43036	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	907.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	2.3
69.03431	3.6
71.01350	1.2
71.04999	0.9
71.25813	0.7
71.26174	0.4
73.02919	4.0
79.01434	0.4
79.05508	2.5
81.03401	1.8
81.07066	1.9
83.04980	0.6
83.08633	0.3
85.02905	6.1
91.03969	2.9
91.05479	1.4
93.07040	2.3
95.08626	1.7
97.02901	5.4
99.04486	0.9
101.02384	2.3
105.07057	1.0
107.08598	1.1
109.02887	1.0
109.10167	1.0
115.03922	0.5
117.07013	0.7
119.08584	0.7
121.10150	0.8
127.03920	2.1
131.08609	0.6
135.11751	0.8
145.04996	0.6
145.10175	1.2
163.11212	1.1
185.04306	0.6
196.11093	0.4
203.05312	0.7
209.11830	0.6
243.08417	1.8
283.15430	0.5
347.09521	1.8
363.09076	0.6
365.10538	1.0
405.13718	5.2
406.13535	0.5
443.40482	0.4
467.18948	6.7
519.29425	2.8
607.24017	0.4
626.91473	0.4
629.24231	6.3
681.34741	3.1
691.49921	0.4
745.41302	1.3
906.51080	1.3
907.46735	100.0
908.47296	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	909.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96890	0.3
64.64464	0.3
67.05518	2.9
69.03436	3.8
69.07081	0.6
70.06634	0.3
71.01351	0.3
71.04997	0.9
73.02926	3.7
79.05490	2.1
81.03416	2.9
81.07056	2.5
83.04964	0.5
83.08631	1.0
85.02908	7.5
85.03424	0.4
87.04451	0.4
91.03953	3.5
91.05482	2.4
93.07054	2.5
95.04989	1.0
95.08604	1.8
97.02898	5.9
99.04485	1.2
105.07027	1.7
107.05009	0.3
107.08607	1.3
109.02898	0.8
109.10199	0.6
111.08078	0.4
119.08624	1.1
121.10135	0.9
127.03956	2.0
129.07076	0.4
131.08614	1.0
133.10182	1.0
135.11710	0.5
136.55489	0.3
136.56923	0.4
145.05009	0.4
147.11739	0.7
157.10213	0.8
175.11267	0.6
175.14964	0.4
185.04277	0.8
193.12311	1.1
203.05234	0.3
243.08466	2.3
251.12747	0.6
269.12637	0.7
285.10300	0.4
301.20444	0.5
307.15485	0.4
317.85281	0.3
335.25830	0.5
347.09467	2.6
363.09085	0.5
365.10809	1.2
405.13647	5.7
469.20538	6.7
519.29413	3.7
631.25592	6.2
681.34595	3.3
747.43079	1.5
909.48193	100.0
910.48541	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	904.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.9
67.05508	31.7
69.03432	3.2
69.07070	8.7
69.23996	1.6
69.24407	4.0
71.04985	2.7
73.02909	1.4
77.03933	0.7
78.35213	0.6
79.05495	26.5
80.05856	0.6
81.03419	31.1
81.07058	31.8
83.04989	6.8
83.08622	14.8
85.02903	17.8
85.06549	1.2
91.03979	3.7
91.05486	18.6
93.07048	26.7
95.04972	14.4
95.08611	23.8
96.08904	0.8
97.02898	5.8
97.06543	3.4
97.10143	2.6
98.20783	1.2
99.04417	0.9
99.08068	0.8
103.22271	0.7
105.04529	0.6
105.07032	15.2
107.04955	3.0
107.08599	12.1
109.06510	3.3
109.10146	7.8
111.04430	1.6
111.08073	5.8
113.06017	1.7
115.05440	0.9
117.07036	3.0
119.08581	12.9
121.06528	1.5
121.10148	12.9
121.58967	0.5
122.10468	0.7
123.08073	1.9
123.11720	3.3
125.09649	1.2
127.03963	1.9
128.06219	0.7
129.06999	4.6
131.08568	8.8
133.06537	1.2
133.10133	9.4
135.08078	0.8
135.11694	6.8
136.12057	1.0
142.07837	1.0
145.04935	1.4
145.10162	3.8
147.08067	1.6
147.11691	9.0
149.09656	2.4
149.13255	2.7
157.10133	8.0
159.11697	2.0
161.13266	2.0
163.06055	1.8
163.11192	3.0
163.14915	0.9
165.12790	1.8
173.13297	1.4
175.11163	7.2
175.12541	0.8
175.14861	0.9
185.13275	0.7
187.14877	0.9
193.12242	18.4
211.13298	24.8
227.12801	3.0
228.13199	1.1
237.14398	0.8
243.21045	1.2
261.22086	5.6
267.15860	7.2
283.15390	1.7
284.15671	1.5
285.16968	29.7
286.17444	0.9
317.24860	1.3
335.25790	49.4
336.26178	4.2
337.26462	1.8
421.25754	0.7
429.21085	0.9
435.32654	0.7
471.34848	0.8
511.71411	0.8
527.37286	7.6
543.36493	1.3
544.37408	1.8
545.38361	100.0
546.38629	5.4
572.24408	0.6
647.89764	0.7
689.42462	1.8
878.85638	0.7
904.49652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.4
69.03435	3.5
69.07069	0.7
71.01347	0.9
71.04994	0.7
73.02923	3.8
73.03313	0.5
75.97958	0.3
76.13508	0.3
79.05492	2.3
79.15648	0.3
81.03428	2.4
81.07059	3.0
83.04994	0.6
83.08623	0.5
85.02907	6.6
91.03957	5.0
91.05477	1.4
93.07060	3.1
95.04932	0.5
95.08609	2.7
97.02899	7.2
97.06512	0.6
97.10203	0.5
99.04461	1.2
101.02402	1.8
103.03926	0.4
105.07045	0.8
107.08585	1.5
109.02890	0.6
109.10175	1.3
115.03963	0.4
117.07013	0.6
119.08575	1.6
121.10159	1.5
127.03902	1.5
131.08563	0.5
133.10155	0.6
135.11700	0.9
137.09732	0.3
145.10138	0.9
149.13354	0.3
159.11742	0.3
163.11221	0.8
173.13364	0.3
185.04263	0.7
203.05351	0.8
211.13383	0.4
227.12950	0.3
238.83447	0.3
243.08467	2.3
249.11082	0.6
257.96481	0.3
283.15356	0.4
285.16745	0.3
335.25781	0.5
337.27377	0.4
347.09396	2.4
363.09131	0.6
365.10736	0.8
405.13681	5.1
406.14340	0.5
467.18970	3.5
518.58887	0.3
519.29248	5.1
547.39990	0.5
548.40063	0.9
629.24310	2.8
681.34412	6.8
682.34692	0.4
745.41589	1.4
906.51367	1.2
907.46631	100.0
908.47028	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	904.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.8
67.05508	44.3
69.03432	5.1
69.07071	11.2
69.30698	6.8
71.01397	0.8
71.04993	4.3
71.12887	0.8
73.02930	3.8
73.06553	0.9
77.03932	0.8
79.05499	40.2
81.03422	51.6
81.07062	50.2
83.04981	11.6
83.08624	21.7
85.02909	30.6
85.06522	2.6
91.03967	7.8
91.05486	36.2
93.07050	38.1
95.04356	1.0
95.04975	23.6
95.08611	31.5
97.02898	10.5
97.06512	3.9
97.10196	4.8
98.21542	1.4
99.04469	0.9
99.08075	1.1
105.04512	1.4
105.07035	25.4
107.04967	6.0
107.07872	1.0
107.08603	17.0
107.45861	0.7
109.02899	0.7
109.06525	5.2
109.10154	13.4
111.04446	1.8
111.08099	8.1
113.06026	1.9
115.05454	1.0
117.07042	5.0
119.07215	0.8
119.08586	21.4
121.06560	1.4
121.10146	19.5
123.08093	3.3
123.11696	4.8
125.09621	2.1
127.03947	2.7
129.07008	10.0
131.08582	15.2
133.06471	1.6
133.10136	16.1
135.08180	0.8
135.11716	9.2
137.09601	2.0
137.13278	1.9
140.47464	0.6
142.07794	2.3
143.08536	1.0
145.04996	3.5
145.10133	7.6
147.08072	2.2
147.11696	16.3
149.09673	4.6
149.13310	3.7
151.11250	1.5
155.08653	0.8
157.10146	13.5
159.11700	3.3
161.13258	2.4
163.06027	4.2
163.11116	1.6
163.14888	1.3
165.12744	2.7
169.10083	0.8
171.11659	1.1
173.13272	2.9
175.11185	11.1
175.14943	0.7
177.12837	0.8
183.11656	0.9
187.14879	1.1
189.11201	0.8
193.12256	36.4
194.00716	0.7
194.12547	0.7
211.13303	63.5
212.13606	1.0
227.12819	1.6
243.21191	2.3
249.14877	0.8
261.22205	12.1
267.15927	15.2
279.23276	1.1
285.16974	70.8
286.17252	1.5
301.25266	1.5
317.24808	3.0
329.25153	0.7
335.25806	62.8
336.26187	1.4
417.31418	1.1
435.32800	2.3
453.33630	3.1
487.94412	0.7
527.37354	16.3
545.38409	100.0
546.39014	4.2
652.25885	0.7
933.88440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	1.9
67.05505	40.6
67.05859	1.3
69.03424	3.7
69.07072	10.6
71.04995	4.0
71.12340	1.3
73.02917	2.7
77.03924	0.6
79.05494	32.1
80.05819	0.6
81.03419	39.9
81.07059	44.1
83.04982	9.0
83.08619	16.9
85.02906	24.3
85.06512	2.0
91.03490	0.4
91.03963	5.5
91.04475	0.8
91.05481	29.3
93.07047	36.1
95.04362	0.9
95.04970	18.5
95.08606	27.1
97.02883	6.8
97.06532	3.0
97.10170	3.6
99.04440	0.9
99.08067	1.2
103.05446	0.7
105.04515	1.1
105.07033	21.8
107.04951	4.5
107.08601	16.3
109.02870	0.6
109.06538	4.5
109.09463	0.8
109.10154	11.2
111.04427	1.5
111.08081	5.9
111.11666	0.5
113.05965	1.7
115.05431	0.9
117.07023	4.8
119.04852	0.6
119.08585	17.3
119.49857	0.5
121.06461	1.2
121.09323	0.9
121.10146	15.7
123.08032	1.6
123.11718	3.3
125.09604	1.1
127.03885	2.0
129.06999	6.9
131.08575	11.7
133.06448	1.7
133.10132	10.3
134.10373	0.5
135.08014	0.9
135.11687	7.3
136.66954	0.5
137.09616	1.3
137.13222	1.3
141.06969	0.5
141.34076	0.4
142.07736	1.8
143.08510	0.8
145.04927	2.7
145.10132	5.4
147.08014	1.6
147.11687	12.7
149.09628	3.7
149.13246	3.2
155.08498	0.6
157.10136	8.6
159.11729	3.8
161.13332	2.4
163.05995	2.0
163.11194	0.8
163.14799	1.8
165.12781	1.6
169.10054	0.7
171.11667	0.8
173.13280	3.3
175.11174	9.1
175.14775	0.8
177.12709	0.5
181.10028	0.4
185.13176	0.8
187.14815	1.4
193.12242	24.5
199.14772	0.8
201.16359	0.5
201.70844	0.4
211.13297	34.6
212.13676	0.5
227.12769	1.0
243.21054	2.8
249.15007	0.6
261.22125	9.1
262.02676	0.5
267.15927	10.1
279.23157	0.5
285.16956	42.9
286.17249	1.0
301.25308	0.7
317.24857	2.1
335.25809	68.0
336.26199	1.7
435.32770	1.3
449.62134	0.5
453.33618	1.9
471.34930	1.0
515.07080	0.5
522.17859	0.4
527.37317	13.4
528.37848	0.5
545.38385	100.0
546.38867	4.4
563.39063	0.8
678.97015	0.5
679.09839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.9
67.05508	31.7
69.03432	3.2
69.07070	8.7
69.23996	1.6
69.24407	4.0
71.04985	2.7
73.02909	1.4
77.03933	0.7
78.35213	0.6
79.05495	26.5
80.05856	0.6
81.03419	31.1
81.07058	31.8
83.04989	6.8
83.08622	14.8
85.02903	17.8
85.06549	1.2
91.03979	3.7
91.05486	18.6
93.07048	26.7
95.04972	14.4
95.08611	23.8
96.08904	0.8
97.02898	5.8
97.06543	3.4
97.10143	2.6
98.20783	1.2
99.04417	0.9
99.08068	0.8
103.22271	0.7
105.04529	0.6
105.07032	15.2
107.04955	3.0
107.08599	12.1
109.06510	3.3
109.10146	7.8
111.04430	1.6
111.08073	5.8
113.06017	1.7
115.05440	0.9
117.07036	3.0
119.08581	12.9
121.06528	1.5
121.10148	12.9
121.58967	0.5
122.10468	0.7
123.08073	1.9
123.11720	3.3
125.09649	1.2
127.03963	1.9
128.06219	0.7
129.06999	4.6
131.08568	8.8
133.06537	1.2
133.10133	9.4
135.08078	0.8
135.11694	6.8
136.12057	1.0
142.07837	1.0
145.04935	1.4
145.10162	3.8
147.08067	1.6
147.11691	9.0
149.09656	2.4
149.13255	2.7
157.10133	8.0
159.11697	2.0
161.13266	2.0
163.06055	1.8
163.11192	3.0
163.14915	0.9
165.12790	1.8
173.13297	1.4
175.11163	7.2
175.12541	0.8
175.14861	0.9
185.13275	0.7
187.14877	0.9
193.12242	18.4
211.13298	24.8
227.12801	3.0
228.13199	1.1
237.14398	0.8
243.21045	1.2
261.22086	5.6
267.15860	7.2
283.15390	1.7
284.15671	1.5
285.16968	29.7
286.17444	0.9
317.24860	1.3
335.25790	49.4
336.26178	4.2
337.26462	1.8
421.25754	0.7
429.21085	0.9
435.32654	0.7
471.34848	0.8
511.71411	0.8
527.37286	7.6
543.36493	1.3
544.37408	1.8
545.38361	100.0
546.38629	5.4
572.24408	0.6
647.89764	0.7
689.42462	1.8
878.85638	0.7
904.49652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2763
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
64.55390	0.1
68.99490	0.1
68.99822	0.2
69.03424	1.2
69.27483	0.1
71.01352	0.2
71.04993	10.2
71.57382	0.1
72.05353	0.1
73.02924	0.6
75.04507	0.5
79.05479	0.1
81.03421	0.4
83.04986	2.1
85.02905	14.9
87.04451	0.4
93.07069	0.1
95.04964	0.4
97.02885	1.1
99.04449	0.7
107.04939	0.3
109.02869	0.5
111.00818	0.4
111.04436	1.3
113.05996	0.2
115.15414	0.1
117.05492	0.4
121.02862	1.7
121.06496	0.2
127.03918	1.0
129.05478	3.5
133.02847	0.3
137.02339	0.5
145.04945	0.6
147.04417	0.4
147.06503	1.2
153.01831	1.8
153.05457	0.3
155.21405	0.1
157.04980	0.1
157.06422	0.1
161.06010	0.3
163.06042	0.4
165.01843	1.1
171.06525	0.2
177.05418	0.1
183.02901	0.4
185.06009	0.4
203.07077	0.1
213.05490	0.6
213.07338	0.1
219.54405	0.1
229.04965	0.4
231.06557	0.5
239.09132	0.5
241.04968	0.7
257.04489	0.3
258.05267	0.7
259.06012	0.3
264.33057	0.1
271.06049	0.2
275.11334	0.3
283.05966	0.1
285.03778	0.1
286.04575	0.1
287.05490	100.0
288.05835	2.3
288.08740	0.1
299.05518	0.4
303.04990	11.2
304.05484	0.2
311.05661	0.3
325.07047	0.2
329.06500	1.3
351.08365	0.1
353.06500	0.4
379.08215	0.3
397.09268	0.5
415.10159	0.4
431.10110	0.2
433.11328	1.0
449.10797	28.4
450.11188	1.0
467.89545	0.1
493.85498	0.1
546.70630	0.1
595.16632	0.3
611.15948	0.7
632.29309	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	903.277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.1
67.05511	0.2
68.99799	0.2
69.03434	0.8
71.01354	0.3
71.04997	10.1
71.58263	0.1
73.02924	1.0
75.04482	0.5
79.05509	0.1
81.03422	0.4
83.04615	0.1
83.04986	2.6
85.02909	14.7
86.03233	0.1
87.04473	0.3
91.03968	0.5
91.05512	0.1
93.03369	0.1
95.04977	0.4
97.02904	0.9
97.06528	0.1
97.93301	0.1
99.04465	0.5
101.06024	0.2
109.02891	0.4
111.00787	0.6
111.04455	2.0
113.06020	0.3
117.05512	0.3
121.02868	0.6
121.06583	0.1
123.04438	0.2
127.03925	0.8
129.05486	4.0
131.05028	0.1
133.06505	0.1
135.04465	0.2
137.02344	1.9
137.03412	0.1
139.03922	0.1
145.04996	0.3
147.06528	1.6
149.02383	0.3
151.03897	0.1
153.01833	1.9
153.05475	0.6
157.05005	0.1
159.06509	0.1
161.06009	0.3
163.03969	0.4
163.05971	0.4
165.01846	1.4
166.02618	0.2
171.06534	0.3
173.06050	0.2
179.06943	0.1
183.02962	0.6
183.04369	0.1
183.06592	0.2
187.04004	0.1
195.03093	0.2
201.05507	0.8
201.07594	0.3
205.05092	0.1
211.03868	0.1
213.05626	0.2
213.07642	0.3
215.03340	0.1
219.03125	0.1
219.06538	0.1
229.04987	2.6
239.03520	0.1
239.09167	0.9
247.06050	0.5
255.08652	0.2
257.04480	2.0
257.10217	0.3
274.04840	0.5
275.05383	0.2
275.11252	0.3
285.03983	0.9
287.05685	0.5
293.12305	0.1
302.04205	0.1
303.05005	100.0
304.05344	2.2
315.04761	0.5
327.05026	0.1
345.05957	0.7
369.06174	0.2
395.07593	0.1
403.93201	0.1
411.07394	0.1
413.08908	0.3
431.09793	0.3
449.10837	21.4
450.11142	0.6
465.10410	0.5
595.16254	0.3
606.03314	0.1
611.16132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.6
67.05507	48.3
69.03429	4.0
69.07071	12.1
71.01335	1.1
71.04995	4.4
71.08647	2.0
71.18288	1.3
73.02922	4.8
79.05496	44.0
81.03431	13.7
81.07060	52.5
82.03720	1.2
83.01356	6.4
83.04985	10.0
83.08618	15.4
85.02416	1.4
85.02909	20.8
85.06530	1.5
91.03957	11.9
91.05485	26.6
93.07050	50.1
93.79076	0.8
95.04977	10.5
95.08609	34.3
97.02902	10.5
97.06528	5.3
97.10159	5.4
99.04456	2.8
99.08117	0.8
101.49212	0.8
105.07037	19.3
107.04961	5.9
107.07861	1.5
107.08594	29.1
109.06530	6.2
109.10163	14.8
111.04442	2.6
111.08085	3.2
115.05470	1.2
117.07032	9.7
119.08586	16.4
121.06519	4.7
121.10148	21.1
122.10476	0.9
123.08096	7.8
123.11739	5.3
125.05996	1.1
125.09628	4.2
127.03912	5.2
129.07007	2.4
131.08569	10.9
133.10123	9.0
135.08067	2.3
135.11702	23.1
137.09631	2.5
137.13237	1.5
139.07594	0.9
142.07787	0.9
143.08575	1.9
145.04977	5.5
145.10127	19.6
145.11273	1.1
147.08113	1.2
147.11679	5.8
149.09587	1.4
149.13222	6.1
151.11162	0.9
153.12746	3.0
155.08575	1.8
157.10089	1.9
159.11710	5.6
161.13258	4.5
163.06024	5.8
163.11189	20.8
163.14847	3.1
171.11652	1.3
173.09634	3.0
173.13295	7.1
175.14888	1.5
177.16396	1.5
181.12253	2.7
185.13228	1.6
187.14815	2.7
189.11240	2.3
191.10645	2.6
193.12262	2.3
199.14821	1.3
201.16420	1.3
209.11702	5.7
211.13240	1.1
215.17973	1.3
227.10721	1.6
227.12781	11.2
241.19641	1.0
243.21060	5.5
259.20593	2.6
261.22141	18.4
261.24826	1.3
267.15857	5.4
268.16321	3.6
269.16367	0.9
272.20178	0.9
275.20184	0.8
281.22629	0.8
283.15405	100.0
284.15677	1.8
285.16852	1.0
297.22012	1.0
299.23605	3.9
313.27460	4.1
314.27826	4.1
317.24731	5.8
333.24115	2.2
335.25818	90.1
336.26196	2.9
433.30933	3.3
451.32153	4.7
452.23587	1.0
469.33145	3.5
487.33997	1.3
505.39362	1.4
506.39145	2.3
507.39526	2.4
515.37128	1.1
525.35693	6.7
526.35645	1.1
543.36847	89.4
544.36884	3.2
561.37610	3.6
676.47717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.7
67.05508	36.9
68.98654	0.9
69.03439	2.6
69.07063	10.1
69.26238	10.0
71.04980	2.2
73.02913	2.1
75.06429	1.0
77.03894	1.1
79.05494	37.6
81.03407	4.2
81.07056	40.7
83.01302	1.1
83.04962	2.8
83.08611	10.5
85.02897	5.5
85.06544	1.3
89.53064	1.0
91.03934	3.8
91.04964	1.4
91.05482	17.8
93.06469	2.3
93.07047	46.0
95.04964	8.1
95.08609	46.9
97.02905	6.3
97.06512	4.5
97.10159	1.3
99.04449	3.0
101.03920	0.9
105.06503	1.0
105.07046	11.8
107.04956	7.2
107.08598	32.7
109.06535	2.5
109.10152	13.2
111.04405	1.8
117.06351	0.9
117.07026	7.6
117.41091	1.1
119.08572	14.1
121.06507	5.2
121.10146	21.1
121.41682	1.2
123.11709	4.0
125.06012	1.6
129.06999	2.6
130.07776	1.3
131.08560	4.5
133.10127	5.8
135.07968	1.4
135.11697	48.4
139.07515	2.3
143.08534	1.1
145.10117	29.6
147.11726	2.1
149.13229	3.0
153.12759	1.2
159.11650	1.2
161.13219	1.7
163.11185	59.4
173.09532	1.0
173.13243	2.9
175.14864	1.2
180.32520	1.3
181.12231	11.3
187.14748	1.1
209.11734	1.8
211.97919	1.0
227.12788	71.8
228.13145	1.4
243.21049	4.3
261.22220	8.5
283.15399	100.0
284.15811	1.7
314.27731	1.9
317.24667	2.5
335.25803	89.6
429.96451	1.1
469.32629	1.7
472.49078	1.0
543.36816	95.2
544.36914	4.5
561.37744	1.4
676.47729	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.7
65.62799	0.9
67.05508	35.7
67.05872	2.0
68.76501	0.8
69.03420	2.3
69.07076	8.6
69.81763	5.4
71.04985	3.2
71.08618	1.9
73.02943	4.0
79.05498	32.7
81.03427	12.9
81.07061	39.9
83.01338	6.2
83.04990	8.8
83.08624	11.5
85.02904	17.4
85.06538	1.0
85.10186	1.3
90.02445	0.8
91.03969	11.5
91.05481	19.7
93.06461	1.9
93.07047	36.6
95.04977	8.2
95.08611	27.3
97.02895	9.7
97.06525	4.4
97.10171	4.2
98.21440	0.9
99.04459	1.7
100.63409	1.1
105.04537	1.3
105.07041	14.8
107.04939	5.6
107.08598	20.5
109.02898	1.1
109.06520	5.1
109.10155	12.7
111.04422	2.3
111.08088	1.2
115.03970	1.0
115.05460	1.2
117.07023	9.5
119.08580	13.8
121.06497	3.6
121.10149	18.3
123.08069	6.4
123.11693	3.7
125.05991	1.2
125.09627	3.7
127.03896	3.9
129.06998	1.4
131.08568	8.6
133.10144	7.0
135.08044	2.3
135.11696	18.1
137.09599	1.5
137.13289	1.3
143.08623	1.8
145.05000	5.0
145.06238	0.9
145.10133	17.5
147.08044	1.4
147.11716	4.5
149.13240	4.7
153.12753	2.3
155.08528	1.4
157.10080	1.4
159.11699	4.9
160.50629	0.9
161.13272	3.8
163.06021	3.9
163.11185	19.6
163.14803	2.7
171.11626	1.5
173.09605	4.3
173.13266	3.7
175.14847	1.7
181.12198	3.0
183.11745	1.0
187.14836	2.3
189.11232	1.8
191.10655	2.9
193.12288	2.3
209.11780	7.1
211.13327	2.0
227.12756	11.3
228.47552	1.1
243.21072	3.0
259.20612	1.6
261.22183	13.1
267.15900	5.0
268.16174	1.5
283.15411	100.0
285.16861	1.1
295.36356	0.9
299.23773	4.2
313.27359	2.3
314.27753	1.7
315.28531	0.9
317.24698	4.2
329.74600	0.9
333.24197	1.1
335.25824	61.6
336.26123	1.5
358.00302	0.9
433.31079	3.6
451.32138	4.3
469.33084	3.9
505.38828	1.5
506.38809	1.4
507.39572	2.1
525.35419	5.2
543.36823	55.2
544.37170	2.5
561.37836	5.6
640.59778	1.1
687.27887	0.9
712.70288	1.0
775.48883	1.1
902.47504	2.7
903.48016	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	887.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.3
67.05505	2.1
69.03432	3.9
69.07076	0.7
69.65699	1.5
71.01364	0.7
71.05006	0.3
71.08641	1.1
73.02917	4.3
75.86575	0.2
79.05495	1.6
81.03419	2.6
81.07059	2.8
83.04991	0.5
83.08644	1.1
85.02911	6.8
85.10198	0.7
87.04468	0.3
91.03960	3.4
91.05483	1.6
93.07057	1.8
95.04998	0.8
95.08623	1.9
97.02900	5.1
97.03499	0.3
97.06577	0.4
97.10188	0.5
97.80861	0.2
99.04485	0.8
101.02393	1.7
105.07062	1.0
107.04971	0.4
107.08602	0.6
109.02930	0.7
109.10187	1.0
111.04490	0.3
111.08122	0.3
115.03973	0.3
119.08636	1.0
121.06528	0.2
121.10168	0.6
123.11681	0.3
127.03922	1.9
129.06981	0.3
131.08621	0.7
133.10162	0.5
135.11725	0.2
145.05034	0.4
145.10176	0.5
147.11716	0.4
149.13301	0.2
157.10153	0.6
175.11224	0.5
185.04276	1.0
192.08176	0.2
193.12312	0.8
203.05334	0.7
211.13385	0.6
239.23602	0.3
243.08405	1.9
251.12657	0.8
259.08063	0.3
269.17697	0.9
285.17078	0.3
305.08307	0.3
307.15155	0.7
313.01190	0.2
313.27509	0.9
335.25958	0.7
335.37546	0.2
347.09491	2.4
365.10794	1.1
405.13718	5.4
469.20490	7.4
470.21283	0.3
497.30765	4.5
529.39044	1.9
631.25800	7.1
659.36151	4.3
660.37042	0.4
725.44409	1.7
887.49774	100.0
888.49823	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	887.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99794	0.2
69.03431	1.2
70.70274	0.3
71.01332	0.2
71.04998	8.8
73.02914	0.8
75.04461	0.5
81.03405	0.3
83.04565	0.1
83.04988	1.9
85.02910	12.1
86.03191	0.1
87.04454	0.3
91.03981	0.2
95.04954	0.3
97.02914	0.8
99.04423	0.5
101.05941	0.2
109.02849	0.4
111.00790	0.4
111.04446	1.5
113.05972	0.2
117.05463	0.3
120.69471	0.1
121.02860	1.2
123.04428	0.2
127.03922	0.8
127.04678	0.1
129.05486	3.7
137.02350	0.3
145.04947	0.4
147.06532	1.3
153.01842	1.5
153.05399	0.5
157.06311	0.2
163.05994	0.4
165.01811	0.8
171.06528	0.2
183.02930	0.3
185.05969	0.3
203.06833	0.2
213.05479	0.7
213.07407	0.3
231.06532	0.3
239.09125	0.6
241.04967	0.7
245.06708	0.2
257.10205	0.2
258.05243	0.4
275.11374	0.3
287.05511	100.0
288.05859	2.0
299.05496	0.3
311.05112	0.2
329.06607	0.8
397.09323	0.3
415.10254	0.4
433.11343	24.1
434.11594	0.7
449.10928	0.4
579.17279	0.2
595.16724	0.9
682.97516	0.2
712.76245	0.2
729.44281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.465
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.5
67.05167	1.1
67.05508	16.8
69.03420	4.3
69.07072	3.4
69.28962	5.8
70.06575	0.6
71.04989	3.1
73.02930	1.2
75.48575	0.7
79.05495	14.8
81.03422	71.6
81.07060	16.2
82.03757	0.6
83.04981	7.6
83.08627	19.0
83.11838	0.6
85.02911	12.4
85.06546	1.6
91.03945	2.3
91.04893	1.0
91.05482	20.8
93.07057	12.1
95.04974	23.2
95.08604	6.9
97.02896	4.5
97.06560	3.3
97.10181	5.5
99.08081	1.1
99.74731	0.7
103.05431	1.1
105.07037	13.5
107.04959	6.5
107.08589	7.3
109.02856	0.9
109.06538	4.3
109.10168	4.7
111.04448	2.3
111.08099	7.1
113.05994	0.9
115.05443	1.4
117.07005	2.6
119.04926	1.3
119.08588	14.9
121.06493	4.7
121.10139	6.7
123.04418	1.2
123.08066	2.5
123.11712	1.2
125.09631	4.8
127.03948	1.6
129.07028	9.0
131.04935	1.4
131.08568	9.3
133.06519	4.2
133.10138	6.8
135.08072	1.5
135.11711	1.6
137.05983	0.9
137.09613	1.6
142.07767	2.2
143.08528	1.5
145.02879	1.0
145.05081	0.7
145.05441	0.8
145.06505	5.3
145.10114	2.6
147.04431	1.5
147.08061	4.4
147.11697	11.0
149.09637	6.3
151.07582	0.9
151.11197	0.8
153.05467	0.8
153.09143	0.7
155.08487	0.8
157.06516	1.2
157.10136	12.9
159.08034	1.3
161.05977	1.0
161.09685	1.4
163.06059	0.9
163.11191	2.1
165.12718	2.3
166.63025	0.6
167.15817	0.6
169.06471	0.8
169.10129	1.3
171.08029	1.1
171.11661	1.0
173.09651	1.1
175.11189	10.9
177.05496	1.8
181.10086	0.8
183.08054	0.7
185.09645	1.0
185.13187	0.6
189.11194	1.3
193.12259	30.6
194.12666	0.9
195.11707	1.0
199.11264	0.6
199.75357	0.6
203.14340	0.8
205.12262	1.2
211.13304	12.0
213.12726	1.2
215.14392	0.9
227.12668	1.0
229.14322	1.5
231.13811	0.7
233.15413	0.8
235.13274	1.2
237.12675	0.9
239.14253	0.7
243.14093	0.6
249.14833	1.8
255.13654	1.4
259.13324	0.8
267.15927	100.0
268.16275	2.3
273.14859	3.5
285.17004	11.6
301.14221	0.7
341.21021	1.7
349.21609	3.2
367.22617	8.3
385.23782	8.6
403.25049	2.0
405.24374	0.8
433.25839	18.0
434.25861	0.9
441.26422	7.3
459.27448	77.1
460.27695	2.7
477.28537	46.1
478.28778	1.5
491.30011	1.2
501.28519	1.6
519.29443	2.4
523.97113	0.7
567.30017	1.1
573.30255	0.8
585.29999	1.6
603.31555	1.7
621.32281	1.3
714.03979	0.7
850.39325	0.8
886.46729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56105	0.4
65.03925	1.0
67.05511	17.9
69.03439	3.7
69.07076	7.3
69.94684	0.4
71.05000	2.9
71.08638	16.0
71.58614	0.4
71.58967	0.7
73.02930	3.0
75.96722	0.4
79.05501	12.2
81.03424	37.4
81.07062	21.8
83.04988	10.1
83.08627	19.1
85.02914	23.8
85.06509	1.1
85.09721	0.7
85.10188	9.7
87.04433	1.1
89.05983	1.2
91.03967	5.7
91.05486	17.1
93.07051	8.6
95.04978	14.0
95.08616	17.9
95.57731	0.5
97.02903	6.6
97.06511	2.9
97.10186	4.7
99.04441	0.7
99.08077	1.3
99.11700	0.6
103.07523	0.7
105.06406	0.9
105.07042	12.4
107.04971	3.7
107.08603	3.7
109.06515	3.0
109.10172	6.5
111.04450	1.0
111.07375	0.4
111.08088	5.7
111.11687	0.7
113.05972	1.6
115.05451	0.9
117.06979	1.0
117.09132	0.6
119.04878	0.6
119.08588	10.2
121.06496	0.9
121.09452	0.5
121.10154	5.1
123.08057	2.2
123.11732	3.2
125.05966	0.9
125.09572	1.4
125.13245	0.5
127.03937	2.7
127.07532	0.5
129.07014	5.9
131.08580	6.9
133.06465	1.9
133.09229	0.5
133.10141	6.2
135.11609	0.7
136.93492	0.5
137.09608	0.7
137.13220	1.1
142.07730	1.5
145.04990	2.3
145.10115	1.3
147.08031	1.8
147.10658	0.7
147.11710	9.3
149.09644	4.1
151.11058	0.5
157.08926	0.7
157.10141	9.9
163.06059	2.1
163.11246	0.6
165.12740	2.6
175.09749	0.7
175.11188	8.8
193.12257	28.0
211.13309	43.4
212.13782	0.4
239.23685	2.2
257.24817	1.5
267.15933	14.4
268.16220	0.5
285.16983	61.3
286.17331	1.1
313.27390	62.1
314.27643	1.6
505.38910	13.9
523.39996	100.0
524.40472	3.9
882.46844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	4.2
67.05511	5.0
68.21677	0.5
69.03436	3.5
69.07083	1.5
70.04542	2.2
71.01354	0.6
71.04990	1.6
73.02911	2.9
76.70052	0.5
79.05490	6.3
80.05848	0.5
81.03426	2.1
81.07056	6.1
83.08627	0.9
84.59402	0.5
85.02917	4.6
85.06579	0.6
87.90929	0.5
91.03960	2.9
91.05486	7.5
93.07050	6.7
95.04980	1.4
95.08608	3.6
97.02891	3.7
97.06509	0.5
99.04445	0.6
101.02397	1.5
105.07037	6.1
107.04988	0.5
107.08594	3.1
109.06528	0.9
109.10188	1.1
117.07014	2.6
119.08590	3.9
121.10192	1.5
127.03931	1.1
129.07040	1.4
131.08601	1.7
133.10156	2.5
135.11710	0.8
137.06003	1.9
143.08632	1.1
145.10184	1.7
147.11757	1.4
154.80833	0.5
159.11755	1.5
161.13263	0.8
169.10355	0.4
185.13312	0.6
189.12758	0.5
203.05296	0.7
207.14116	0.5
243.08389	2.7
247.13126	0.8
303.15784	0.5
303.19275	0.7
327.17896	0.5
332.80060	0.5
333.20465	5.5
335.25873	0.5
350.64291	0.5
389.23227	1.1
463.23218	0.7
465.21024	8.7
473.23071	0.4
481.33661	0.6
551.28351	12.3
679.37372	0.7
681.45471	0.9
689.37354	0.6
698.46191	1.1
699.46747	4.8
735.40173	0.5
775.42395	2.4
843.50531	0.9
861.49725	100.0
862.49896	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	862.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.1
69.07077	7.7
69.65441	1.7
69.65851	4.5
79.05475	1.5
79.27207	0.8
81.07033	3.0
91.05466	4.0
92.22068	0.8
93.06995	2.0
95.08595	1.8
95.48686	0.8
97.10219	0.9
105.06385	1.6
105.07037	26.5
107.04886	0.9
109.10204	1.3
117.07005	1.7
119.08584	51.3
121.06455	2.1
128.19032	1.2
133.10159	5.1
147.11708	4.4
161.05974	1.9
164.04674	2.7
177.05473	8.3
192.04160	4.1
192.05797	1.0
203.17883	5.3
205.04964	12.4
207.06531	100.0
208.06796	2.3
409.23755	60.6
410.23865	2.3
415.17273	1.0
862.39276	1.3
862.53790	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	880.527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02636	0.6
61.02934	9.3
65.03944	0.7
65.99582	0.3
67.05515	10.6
69.03429	1.5
69.06718	0.5
69.07076	6.7
70.60477	0.5
70.60816	0.9
71.01353	0.7
71.05002	1.9
71.08638	16.4
73.02923	3.8
75.04446	0.4
76.50290	0.4
76.91920	0.4
79.05499	10.5
81.03424	5.6
81.07065	15.6
83.01350	6.2
83.04988	6.0
83.08627	10.4
85.02417	0.8
85.02911	12.3
85.06541	0.7
85.10186	8.3
89.06023	1.0
91.03960	6.2
91.05492	7.6
93.07050	12.6
95.04978	3.3
95.08613	14.5
96.04478	0.4
97.02903	7.6
97.06527	2.4
97.10149	3.0
99.04470	2.5
99.11768	0.4
103.07557	0.4
105.07038	5.3
107.04970	4.0
107.08600	7.9
109.02875	0.6
109.06532	3.6
109.10164	5.5
109.54822	0.4
111.04440	1.1
111.08083	1.0
111.11716	0.7
115.03960	0.8
117.07021	4.1
119.08586	4.9
121.06515	1.9
121.10139	4.9
123.08095	4.9
123.11702	1.5
125.06036	0.8
125.09631	1.2
125.13272	0.4
127.03937	2.6
129.07021	0.9
130.07814	0.6
131.08543	2.0
132.38541	0.4
133.10130	1.4
135.08075	1.3
135.11703	6.3
137.09610	0.9
137.13303	0.9
139.07578	0.7
145.04976	3.0
145.06081	0.5
145.09016	0.8
145.10127	9.8
147.08057	1.0
153.12755	1.9
155.08597	0.8
163.06067	3.0
163.11195	14.2
173.09558	2.0
181.12303	2.3
186.28558	0.4
186.67235	0.4
191.10661	1.9
209.11726	4.6
227.12866	2.8
236.01286	0.4
239.23761	1.2
257.24753	1.5
283.15427	100.0
284.15765	2.2
313.27383	71.0
314.27722	2.8
433.20526	0.4
454.23907	0.4
521.38428	50.1
522.38696	2.2
612.57648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	6.2
65.03941	2.3
67.05164	1.5
67.05511	21.2
69.03435	3.4
69.07067	6.1
70.09350	3.4
71.04991	1.9
73.02934	3.1
73.80456	0.8
79.05501	19.8
81.03420	16.9
81.07064	22.3
81.07515	1.5
83.04988	2.4
83.08616	5.2
85.02905	4.6
91.03973	3.1
91.05486	20.0
93.07052	18.6
95.04978	6.2
95.08614	13.7
97.02886	4.6
97.06535	0.8
97.10185	1.2
103.05503	0.9
105.04546	1.0
105.07034	12.3
107.04977	3.1
107.08597	9.9
109.06514	2.6
109.10159	4.8
111.08132	1.6
115.05498	1.7
117.07021	2.9
119.04960	4.4
119.08593	7.7
121.06561	1.3
121.10158	6.9
123.04465	4.0
123.11792	1.2
125.09663	0.9
129.07024	4.1
130.81984	0.7
131.04933	1.2
131.08560	7.4
133.06514	2.7
133.10124	4.6
135.04405	3.9
135.08145	1.0
135.11757	2.3
136.06233	3.5
137.05984	23.7
137.09612	1.0
142.07816	0.8
145.04997	0.8
145.06517	2.3
145.10149	2.8
147.04420	4.7
147.08138	2.4
147.11644	4.1
148.20869	0.7
149.06017	5.4
149.09648	5.2
149.13278	1.2
157.06509	2.7
157.10208	3.5
159.08110	2.8
159.11847	0.9
161.06001	8.0
163.07527	3.7
171.08081	1.1
173.05934	4.5
173.09686	0.9
175.07523	6.0
175.11261	2.1
183.08148	1.3
185.06003	0.8
185.09691	1.2
187.07515	6.1
189.09180	2.5
190.08626	1.1
193.12251	5.7
199.07576	2.9
201.09201	2.9
210.10289	0.9
210.20514	0.8
211.07632	1.4
211.13344	3.5
213.09206	1.2
248.95840	0.8
257.15353	3.9
285.14761	3.9
302.17514	6.6
303.15814	1.9
311.16574	1.9
329.17511	5.5
335.25873	5.5
346.20187	6.8
347.18665	1.6
376.21118	1.4
420.23773	6.3
438.24969	1.5
654.44086	1.7
680.45245	3.5
681.43939	0.9
698.46289	100.0
699.46704	6.3
740.47913	1.9
776.46881	1.5
816.49261	2.0
824.49115	3.1
842.50641	4.1
860.51416	44.5
861.51923	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	858.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54597	0.6
65.42812	0.7
67.39851	0.7
69.03436	0.9
69.07067	3.0
70.06596	100.0
70.10184	1.6
70.10580	1.5
71.06906	0.8
81.03440	1.0
85.02908	1.3
86.09711	10.3
95.01334	1.8
97.77745	0.7
101.03512	1.2
125.07146	2.2
137.06058	0.9
141.06596	4.2
141.10271	2.6
157.09727	3.8
177.05453	0.9
179.08667	1.1
183.14899	1.7
191.08534	0.9
203.08792	0.7
205.06630	1.0
206.07318	0.8
207.08139	3.4
209.12891	1.1
215.08667	1.2
219.08119	2.4
221.06079	3.2
223.07631	1.6
229.15482	41.0
230.15910	1.6
231.08185	2.6
234.06900	1.7
235.07565	9.0
237.05492	1.7
243.08083	1.1
245.09750	2.0
247.07561	7.4
249.09166	0.9
252.10338	0.9
254.09981	0.8
255.08025	1.5
257.09610	1.0
258.09158	0.8
259.07651	2.8
261.05353	1.7
261.09174	2.5
262.08670	1.3
263.07077	3.7
266.15005	3.0
271.07556	3.9
273.05771	1.4
273.09204	4.7
273.11765	0.8
274.06250	2.3
274.09015	1.0
275.07077	3.6
278.08240	3.3
280.09781	1.4
283.07553	0.9
285.05835	0.9
285.09015	1.7
287.07089	3.1
289.05353	1.2
289.08670	4.3
290.08289	1.7
291.06448	2.3
291.09952	0.7
293.08148	1.8
294.14584	3.5
298.06177	1.0
299.07095	1.8
300.10449	0.8
301.08673	3.9
303.06601	5.8
304.06131	1.0
304.09555	1.0
305.08041	4.6
307.05539	0.8
308.09351	0.9
311.07047	1.2
313.05264	0.9
313.08975	0.9
314.07968	1.0
315.06735	2.4
316.07010	1.7
316.10168	1.2
317.07947	5.3
319.09747	2.3
321.07715	2.5
326.08255	1.3
327.06412	5.8
328.09854	1.7
329.08057	6.9
330.07956	1.0
331.09589	1.8
333.07593	1.6
335.09232	4.8
336.08966	1.4
342.07584	1.2
344.09186	4.7
345.07581	16.8
346.10809	2.4
346.14514	0.9
347.09113	3.9
348.08939	2.8
356.09412	1.9
357.07596	8.7
359.09143	1.8
362.10300	1.4
368.11404	1.4
372.08649	14.5
374.10025	4.7
375.08652	8.8
379.23447	2.4
380.11374	2.1
390.09750	17.5
391.16690	1.3
392.11322	3.3
393.09811	2.2
398.12314	4.0
400.08231	1.1
402.09848	3.0
408.10938	5.2
416.15921	1.2
417.14731	1.4
420.10834	11.5
425.24469	0.8
428.13239	0.9
438.11896	7.3
456.12994	2.6
457.17929	1.1
485.17224	6.9
486.17462	0.9
487.15439	2.1
513.16498	13.3
517.15942	1.7
528.17615	3.8
530.19189	1.8
546.18951	1.4
548.20856	1.1
553.18115	3.8
558.18860	8.3
571.19720	0.8
576.19843	15.0
594.21381	2.2
612.22192	2.5
618.24481	2.2
630.23877	3.2
635.21259	1.0
636.24939	1.7
643.23944	1.4
648.25732	2.4
649.25458	0.8
666.26349	5.6
673.25287	2.4
684.27521	17.8
685.27802	1.2
691.26086	1.0
786.33160	1.8
804.34375	4.3
822.35382	2.5
840.36310	5.4
858.37427	3.4
884.34058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.8
65.03941	7.1
67.05170	4.6
67.05511	70.1
69.03431	8.2
69.07069	29.6
69.86128	11.2
71.04986	4.4
72.77943	2.4
73.02895	2.7
77.03902	3.1
79.05050	4.7
79.05497	70.1
81.03428	7.9
81.07063	79.8
83.04993	5.6
83.08601	13.1
85.02900	5.7
85.06554	8.5
91.03966	3.6
91.05487	100.0
93.07053	70.4
95.05002	16.9
95.08047	3.6
95.08619	55.4
97.02901	6.0
97.06543	11.1
97.10162	7.7
98.20822	3.5
99.08082	8.4
103.05473	7.2
105.04540	3.2
105.07038	82.9
107.04986	5.8
107.08589	44.7
109.02866	2.4
109.06515	17.2
109.10167	22.1
111.08094	9.4
113.05991	5.5
114.08706	2.3
115.05445	10.1
117.07023	57.5
119.04959	3.0
119.08592	68.8
121.06525	6.2
121.10152	23.2
123.08089	6.8
123.11774	3.1
125.09641	5.1
127.03930	3.6
128.06209	14.1
129.05495	5.5
129.07021	32.2
130.07811	4.6
131.08583	54.4
133.06451	3.4
133.10139	33.1
135.08040	6.4
135.11697	14.4
137.09631	3.5
141.06956	12.8
142.07780	6.9
143.08582	40.3
144.09337	5.1
145.06511	4.8
145.10139	58.0
147.08054	5.8
147.11703	25.4
149.09619	11.4
149.13268	5.0
153.07018	6.4
154.07796	3.5
155.08562	23.1
157.10126	30.0
159.08060	3.7
159.11705	41.0
161.09648	6.7
161.13266	12.0
163.11214	9.9
166.07841	4.9
167.08543	8.8
169.10146	26.1
171.10333	4.4
171.11697	21.8
173.13232	20.7
175.11215	4.1
175.14874	7.3
177.05356	2.5
177.12804	4.4
179.08632	4.8
180.09248	3.3
181.10124	13.0
183.11728	23.9
185.11620	3.8
185.13263	48.1
187.14836	10.1
189.12675	3.3
193.10153	6.0
195.08208	2.9
195.10143	2.9
195.11646	14.8
197.11713	3.4
197.13161	13.6
199.14868	8.5
201.16367	6.7
203.14362	16.6
205.15970	2.7
207.11751	6.9
209.13318	10.6
211.14870	8.4
217.15921	3.2
219.11722	3.3
219.17493	8.7
221.13248	6.7
223.14882	5.4
229.19571	3.3
233.13217	2.7
235.14842	5.8
235.39566	2.4
237.16296	5.8
239.18097	12.0
243.17387	2.8
255.17462	6.4
257.19037	21.0
261.16455	3.5
273.18332	5.8
275.20102	27.3
279.19733	2.9
309.22137	2.6
325.03955	4.6
329.21078	2.9
331.22745	5.0
338.35730	3.1
343.04971	4.2
347.22311	5.1
349.23776	31.4
351.25293	5.5
355.63184	2.7
405.28162	2.7
447.14728	9.3
448.15439	13.9
465.15817	13.2
466.16183	11.1
485.32022	2.9
497.12442	2.8
497.32867	6.9
508.82324	3.4
513.36749	3.3
527.37524	3.9
531.38184	4.4
537.35718	4.4
549.39270	4.2
551.37238	9.3
553.38715	8.3
565.38721	5.0
569.38190	8.7
605.42493	13.5
623.43103	32.1
641.43842	7.4
667.52209	2.9
716.21484	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	853.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.5
67.05511	6.1
69.03425	3.9
71.00035	1.0
71.00374	0.4
71.01358	0.7
71.05019	0.7
73.02918	4.8
79.05513	1.4
81.03434	1.8
81.07073	2.1
83.08638	0.7
85.02914	6.0
85.93988	0.4
87.04493	0.5
91.03953	3.3
91.05489	1.6
93.07063	1.6
95.08635	1.9
97.02892	6.5
99.04452	0.9
101.02395	2.0
105.06999	0.5
107.08617	1.3
108.79882	0.4
109.02887	0.8
109.10172	5.1
115.03950	0.5
119.08591	1.3
121.10148	0.6
127.03958	1.5
137.09691	0.5
173.11783	0.7
185.04321	1.0
195.09943	0.6
197.05309	0.5
203.05374	1.1
229.14478	1.5
233.07224	0.5
243.08284	2.4
251.12891	0.5
290.85651	0.5
305.61163	0.5
347.09579	2.7
354.82990	0.5
365.10388	1.1
365.43964	0.5
405.13675	5.7
413.17838	8.5
519.29333	4.0
575.23212	8.8
681.34442	4.7
691.40680	2.3
730.17596	0.5
853.45587	100.0
854.46057	7.5
854.61139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	7.8
67.05508	7.9
68.85036	0.5
69.03427	5.0
69.07064	0.9
71.01357	1.0
71.01967	0.4
71.04969	0.6
73.02919	5.3
79.05498	2.9
81.03424	3.6
81.07065	4.4
85.02899	7.6
87.04494	0.6
87.71684	0.5
91.03970	5.0
91.05485	2.2
93.07039	3.2
95.08604	2.9
97.02895	7.2
99.04469	1.5
101.02381	2.0
105.07046	1.1
107.08608	1.5
109.02898	1.3
109.10159	4.2
115.03951	0.5
117.07014	0.6
119.08593	0.9
121.10130	1.1
127.03926	2.4
131.08607	0.8
133.10197	0.7
135.08061	0.6
145.05051	0.6
161.13338	0.5
173.11758	0.9
182.48541	0.4
185.04269	1.4
186.53514	0.4
195.10013	0.8
203.05371	1.4
229.14474	0.7
230.05032	0.5
243.08505	2.0
245.67679	0.5
313.84000	0.5
335.25909	1.0
339.69760	0.5
347.09604	2.7
363.08807	0.6
365.10696	1.0
405.13721	7.2
413.17813	6.0
413.22952	0.5
433.27426	0.5
519.29425	5.0
525.62762	0.5
575.22894	4.7
681.34534	8.1
681.45087	0.8
691.40167	1.7
739.37396	0.5
853.45581	100.0
854.46027	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	853.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	3.2
67.05492	2.6
69.03456	1.8
71.58559	2.5
79.05492	5.2
81.05768	1.7
81.07077	2.2
82.06551	1.7
85.23326	1.5
89.03912	4.9
89.40949	1.4
91.05487	4.8
92.05042	1.7
92.71294	1.6
93.07030	7.1
94.06569	12.9
95.04965	2.4
95.07344	7.5
96.08144	17.8
97.02916	2.0
97.06522	1.7
103.05478	1.7
106.06537	2.7
108.04452	3.3
108.08125	23.9
110.09673	22.2
116.04982	8.7
120.04481	6.6
120.08122	22.9
122.06037	12.8
124.07597	22.2
127.03918	10.0
127.86035	1.7
132.04527	2.0
134.06006	5.7
136.07584	30.2
138.05508	2.7
138.09146	34.1
140.07085	2.3
144.03400	1.8
144.04456	22.6
146.06013	21.1
148.07582	11.4
152.07022	5.9
160.03954	5.2
162.05502	10.2
164.07053	4.1
166.08649	44.0
172.03951	81.7
174.05505	7.4
176.07056	8.7
178.04974	2.4
188.07077	2.1
190.05003	58.3
194.08115	2.7
198.09196	2.0
204.06564	100.0
205.06776	2.9
207.06525	2.2
209.10846	1.8
212.09512	1.7
216.06598	2.1
222.07640	2.7
223.12352	2.1
225.10173	4.0
226.10986	2.1
227.11829	6.6
236.09387	2.4
237.10229	4.8
239.11826	3.8
241.09668	2.7
243.11288	4.8
249.10168	3.7
250.11011	2.6
251.11858	8.0
252.08784	2.3
253.09641	3.6
253.13350	2.8
254.10478	1.9
255.11281	17.0
257.12787	2.4
262.10962	3.1
263.08167	3.0
263.11847	3.3
264.08899	3.4
265.09729	8.6
265.13300	1.8
266.10489	4.8
267.11346	8.5
268.12036	2.1
269.12878	3.3
271.10864	2.8
272.05780	2.1
273.12384	11.6
277.09784	3.4
279.11353	10.5
280.12189	2.7
281.12912	4.0
283.10785	3.8
285.12341	7.0
287.10486	2.3
291.11322	3.7
293.09293	6.7
293.12665	2.8
295.10770	5.8
296.11502	2.2
297.12366	13.0
299.10522	2.5
299.13837	16.6
303.13550	5.1
305.09189	2.9
306.09900	3.3
307.10828	6.7
309.12286	6.1
311.10464	2.6
313.12039	3.0
321.12500	8.6
322.09354	2.5
323.10388	13.1
324.10922	2.2
325.11838	43.6
326.12631	2.3
327.13443	10.4
337.11850	4.2
339.13504	3.5
340.10602	3.3
343.13129	4.5
349.12006	2.2
353.11252	4.0
357.14499	22.1
358.15216	3.0
359.16113	4.9
365.11392	2.2
367.12781	2.3
373.14236	4.6
374.14978	3.7
386.14682	2.9
398.14917	2.1
414.14301	2.9
416.16064	4.1
443.14056	3.1
448.18445	2.1
461.15393	5.8
462.16174	3.1
474.16400	3.8
476.18439	2.4
490.19458	2.5
492.21475	2.1
499.13513	4.0
511.13528	5.3
552.17365	2.5
557.13995	2.1
572.16534	2.1
584.16284	2.4
610.24042	7.6
611.24506	3.8
614.17523	4.5
627.24432	15.6
628.24811	5.3
629.26447	2.2
632.18884	9.9
642.25696	2.2
645.25354	4.6
650.19855	2.7
659.26160	2.9
664.21399	16.3
665.21643	2.4
677.21869	6.8
687.24506	4.5
695.23108	6.1
696.23102	2.7
705.25684	4.2
719.23138	2.7
737.24341	2.7
739.25446	5.0
767.25452	11.0
785.26849	8.5
803.27844	44.2
804.27484	3.7
821.29089	10.7
835.29510	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	853.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19891	2.3
65.03947	2.5
67.05512	2.3
69.95779	5.1
69.96185	9.0
79.05476	6.8
80.05027	3.5
81.05781	3.0
82.06574	5.1
85.02929	3.4
91.05492	4.9
93.07047	8.7
94.06026	2.9
94.06544	16.5
95.07365	10.1
95.08579	2.6
96.08134	23.5
102.05509	2.7
106.06552	7.1
108.08122	36.2
109.10089	2.2
110.09682	37.3
116.04981	9.3
120.04458	8.6
120.08109	31.8
122.06031	17.3
124.07598	25.8
134.06027	11.8
136.07585	34.8
138.05499	3.1
138.09149	48.9
140.07069	4.4
144.04454	20.1
146.06035	33.6
148.07567	13.6
150.09155	3.6
152.07074	8.5
155.67589	2.5
160.03928	5.3
160.07475	2.8
162.05557	14.0
164.07143	12.3
166.08643	57.7
172.03949	79.3
172.05428	4.6
174.05533	5.3
174.11264	18.7
176.07053	16.7
178.05008	6.2
190.05003	62.0
194.08269	3.2
199.08543	3.0
204.06573	100.0
211.12415	4.1
213.10190	4.2
215.11827	2.3
223.08649	2.7
224.09315	2.3
225.10251	6.4
227.11790	7.8
228.12743	2.7
232.61272	2.3
236.09331	4.2
237.10205	7.1
238.10939	4.3
239.11771	7.4
241.13423	3.7
243.11195	11.1
249.10306	6.6
250.10962	4.0
251.08064	3.8
251.11801	10.0
252.08778	3.0
253.09715	9.7
253.13373	3.2
255.11348	11.6
262.11111	6.7
263.11810	9.7
264.08975	7.6
264.12418	2.9
265.09848	12.2
265.13400	2.8
266.10568	9.8
267.11298	12.7
269.12830	4.1
271.10855	6.1
271.14569	4.2
272.05664	2.5
273.12531	14.6
273.15161	2.6
276.08673	3.2
277.09705	10.7
278.10583	4.8
279.11322	19.5
280.08179	2.8
280.12070	4.9
281.09564	2.4
281.12930	7.1
283.10828	8.5
284.11621	4.3
285.12384	14.9
287.10358	5.2
289.09525	4.3
291.11188	5.8
293.09213	14.1
293.12643	5.1
294.09985	4.1
295.10748	7.7
296.11380	4.3
297.12375	18.7
299.13910	54.5
299.39038	2.8
301.11896	3.7
303.13821	14.2
305.09189	4.4
306.09967	5.5
307.10785	10.3
309.12213	13.5
311.10345	4.9
311.13611	4.4
313.11707	4.9
319.10834	5.8
321.09137	2.8
321.12268	15.0
322.09122	11.9
323.10315	24.7
324.10797	4.0
325.11832	56.6
327.13400	12.8
331.16562	2.7
336.07217	4.8
337.11765	10.5
339.13379	5.3
340.10339	13.1
343.12921	13.4
344.14102	4.0
353.11475	4.9
355.13007	2.7
356.13907	2.9
357.14435	26.4
358.15399	8.5
359.15933	7.9
360.13525	3.4
373.14154	4.2
374.15015	6.1
377.11594	3.9
382.11984	2.7
385.14529	3.0
386.15021	7.0
387.15750	4.9
388.16611	4.1
391.08771	4.1
400.16507	5.7
402.14145	3.3
404.15778	4.1
414.14105	5.8
415.15207	10.2
416.15942	13.2
418.17691	3.7
428.16342	2.6
430.18216	3.2
432.15176	5.5
439.11142	3.9
444.15427	4.1
448.18341	2.6
451.11102	3.5
454.13776	4.5
456.15390	2.8
462.16446	5.2
464.18192	6.5
472.18356	2.8
474.16064	12.3
476.17950	8.6
485.14816	2.6
490.19638	7.0
493.12561	5.7
499.13535	12.5
506.19153	3.9
511.13251	12.2
513.14966	4.0
516.70093	2.9
520.20837	3.5
522.21008	2.9
550.21899	4.2
574.55054	2.4
575.15521	2.9
585.23621	5.4
609.23645	11.2
610.24567	13.1
611.24634	7.1
614.18451	3.2
620.21790	3.6
627.14587	2.9
627.24658	57.5
628.24432	8.0
629.26074	5.0
645.25684	21.9
646.20154	8.3
647.20435	5.5
659.26471	4.2
664.21454	54.7
665.21606	7.2
666.22925	2.8
668.20587	3.8
678.23315	4.1
679.23572	3.4
696.23285	9.0
742.44623	2.6
749.23389	2.8
767.24957	6.2
785.26624	8.4
803.27454	6.7
821.28503	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	853.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82940	2.1
63.58791	1.9
69.28365	17.9
79.05471	3.7
80.05007	3.0
82.06589	4.5
90.70295	2.0
91.05472	5.8
91.16476	2.0
93.05775	3.1
93.07034	6.7
94.06579	10.5
95.04967	2.0
95.07350	6.0
95.08622	2.3
96.08142	24.9
96.84339	1.9
97.06538	2.5
103.20667	2.2
106.06551	7.4
108.08125	26.7
110.09692	34.8
116.04961	8.6
120.04482	11.7
120.08099	27.7
122.06046	15.0
124.07603	35.2
130.57599	1.9
132.04465	2.2
134.06041	21.6
136.07584	26.6
137.06085	2.3
138.05458	2.1
138.09148	44.5
144.04477	13.5
146.04817	2.6
146.06001	51.6
147.06778	2.8
148.07578	16.4
150.05551	4.8
150.09106	2.2
152.07068	9.1
160.03940	6.6
162.05521	19.4
164.07080	6.1
166.08653	56.2
170.62761	1.9
172.03940	73.4
172.05420	4.2
174.05576	4.7
176.07080	34.7
178.04977	18.0
190.03368	4.5
190.05002	58.6
191.05542	2.4
192.06567	5.9
193.07310	3.9
194.08191	13.2
198.11517	2.8
204.06580	68.9
206.08133	3.3
209.10672	2.9
218.08078	5.0
224.09392	2.9
225.10231	2.4
227.11835	5.0
234.11369	3.1
235.08707	2.8
236.09322	4.3
237.10289	5.1
239.11774	5.1
243.11240	3.8
245.12830	2.6
249.10194	6.4
250.11024	7.6
251.08122	3.7
251.11819	8.4
252.08969	3.7
253.09654	2.3
253.13422	4.6
255.11316	7.2
261.10281	7.6
262.11102	14.9
263.11801	7.9
264.08923	7.4
265.09735	10.5
265.13239	3.0
266.10425	8.7
267.11307	9.6
271.14435	8.9
272.05557	11.8
273.12341	8.8
277.09808	8.5
278.10498	5.4
279.11340	22.2
280.08142	14.0
280.11826	4.3
281.09515	2.9
281.12878	9.7
283.10812	3.5
284.11472	3.3
285.12357	9.3
289.09564	3.0
291.11307	6.6
293.09213	20.5
293.12784	6.2
294.09909	4.0
295.10944	3.3
296.11493	8.2
297.12268	25.0
299.13919	77.7
300.14108	2.9
303.13306	7.0
305.09323	10.1
306.09933	7.9
307.10733	12.7
308.11343	4.0
309.12390	14.1
311.10486	11.7
311.13690	2.9
317.09207	2.6
319.10583	5.3
321.08716	3.7
321.12347	33.0
322.09283	34.1
322.12888	5.0
323.10275	41.8
324.07263	4.7
324.10880	9.2
325.11844	75.4
326.12344	4.2
327.13409	12.2
335.10309	3.4
336.07190	3.3
337.11890	11.4
338.08685	5.1
339.13364	5.8
340.10431	22.6
343.12958	10.0
347.10141	2.9
353.11057	3.0
354.12180	3.8
357.14499	27.2
358.15390	3.1
359.16156	4.0
365.11234	9.4
366.12195	3.6
389.11404	2.2
391.09039	3.4
400.16815	2.7
401.13443	2.3
416.15833	5.1
424.12640	2.9
430.17682	2.8
433.10223	3.1
439.11365	8.6
446.20804	6.6
448.18695	5.0
451.11276	5.4
453.13107	3.4
454.13580	3.9
461.15234	3.6
462.19965	2.2
464.17947	2.6
473.15195	2.9
474.20544	3.5
476.18130	7.0
479.16745	2.9
485.15631	2.6
486.16583	3.4
490.19714	3.0
493.12198	5.7
497.16919	2.8
499.13586	14.5
511.13705	14.6
513.14868	6.6
520.21088	3.0
525.15466	2.8
528.17188	2.4
531.16132	7.6
543.16089	6.4
545.17950	2.5
546.18903	3.5
550.21613	3.9
575.14935	8.4
601.26001	4.7
612.22247	2.4
618.20837	3.5
620.22247	4.6
624.21027	3.6
627.24902	14.8
638.22449	9.1
639.24323	2.9
645.25531	27.4
646.19934	6.1
647.27576	4.7
650.18860	5.1
656.20862	5.4
660.21411	3.1
664.21381	100.0
665.21698	9.9
666.22650	2.7
668.20490	7.7
678.22852	10.5
679.24054	3.5
696.24042	33.4
697.24066	6.1
803.27649	11.0
821.28760	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	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	3.6
60.61443	1.0
61.02930	10.7
65.03942	1.9
67.05507	96.3
67.45108	0.7
69.03425	3.0
69.06782	0.7
69.07074	9.6
71.04979	2.4
71.45314	0.8
73.02908	3.2
79.05496	22.6
81.07062	41.7
83.05009	1.8
83.08619	7.8
85.02912	14.4
85.06540	3.0
91.03966	9.0
91.05489	16.6
93.07050	28.6
95.04965	1.8
95.08611	28.7
96.04528	1.1
97.02901	7.4
97.06517	1.4
97.10162	2.5
99.08102	1.7
103.44129	0.8
105.07046	7.9
107.08604	15.1
109.06483	0.9
109.10161	82.9
111.08078	2.8
117.07011	3.1
119.08581	11.4
121.10135	14.4
123.11719	3.6
124.46812	0.8
125.09613	2.2
127.03906	3.5
131.08563	5.7
133.10114	5.6
135.11707	8.3
137.09627	3.1
145.04939	4.3
145.10132	5.3
147.11670	5.2
149.13272	6.8
153.90807	0.8
155.10670	7.7
159.11732	5.0
161.13289	4.5
163.06030	5.6
163.14836	3.3
173.11775	20.7
173.13274	3.9
175.14780	1.3
177.16420	1.1
187.14861	2.0
189.11227	1.4
201.16359	1.1
227.12779	6.6
228.05504	0.7
229.14359	100.0
230.14780	1.8
243.21127	4.9
261.22137	22.6
262.22363	0.9
277.61832	0.8
280.49091	0.9
281.17639	0.7
317.24792	4.1
335.25806	83.2
336.26224	2.3
373.18683	0.7
379.30130	0.9
397.30893	0.9
471.34308	1.7
489.35785	76.9
490.35928	4.1
507.36847	5.9
523.15228	0.9
633.39966	1.1
650.02454	0.8
661.39294	0.8
803.31036	0.8
834.27716	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	2.3
61.02931	11.1
62.59185	0.7
65.03942	2.1
67.05508	100.0
68.05856	0.9
69.03432	2.8
69.07063	7.4
69.25484	5.4
69.25898	2.0
71.05004	3.6
71.08659	0.7
73.02905	3.4
77.03918	0.8
79.05493	18.7
81.03432	2.3
81.07063	38.1
83.04984	0.8
83.08624	8.3
84.37410	0.7
85.02903	14.6
85.06535	2.1
91.03954	7.9
91.04901	0.8
91.05482	14.6
93.07050	27.6
95.04974	1.9
95.08610	24.8
96.09005	0.8
97.02902	8.4
97.06541	2.1
97.10181	1.5
98.21523	1.5
99.04459	1.1
99.08122	1.2
102.23661	0.8
105.07044	7.4
107.08599	14.3
109.02831	0.8
109.10161	78.2
110.10529	0.9
111.08080	3.1
113.05974	0.7
117.06995	3.9
118.30051	0.7
119.08589	11.1
121.10145	11.4
123.11685	4.7
124.32014	0.7
125.09638	1.6
127.03912	3.8
127.11237	1.0
131.08585	6.2
133.10141	4.4
135.11688	8.9
137.09605	3.0
137.13307	1.2
145.04906	3.6
145.10167	4.3
147.11710	3.8
149.13228	4.5
155.10675	5.9
159.11676	4.2
161.13217	3.3
163.06001	5.2
163.14861	2.5
171.11763	0.9
173.11777	22.1
173.13286	4.3
175.14816	1.4
177.16354	1.6
187.14851	2.0
189.11220	1.0
201.16454	0.7
213.14738	0.9
227.12848	7.0
229.14363	97.0
230.14680	2.3
233.22681	0.7
243.21136	5.5
261.22137	17.3
279.23160	0.8
317.24832	4.0
335.25815	68.1
336.26169	2.3
379.29956	1.5
397.30951	2.3
415.32129	1.8
433.33450	0.8
471.34476	2.3
489.35785	49.0
490.35742	2.0
507.36823	5.0
508.36832	0.9
848.50598	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	843.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84894	0.2
60.95851	0.7
65.14204	0.3
68.48769	0.3
69.64509	1.9
131.83745	0.3
147.04404	0.6
154.02994	0.3
155.80493	0.3
176.04657	0.3
191.07076	1.8
192.07381	0.3
243.01422	0.3
255.05226	0.4
257.08218	0.3
289.79489	0.3
293.08206	0.4
303.05643	0.5
303.10352	0.3
304.05844	0.3
307.04782	0.4
318.09042	0.3
321.11255	0.5
325.05713	0.4
333.11069	0.3
335.09109	0.9
336.09781	0.5
346.07635	0.4
347.09128	0.8
349.10699	0.4
350.11224	0.6
361.10864	0.4
365.13861	10.2
366.14139	4.3
367.14685	1.7
368.14636	0.4
393.13336	7.1
394.13654	4.5
395.13892	1.4
396.14343	0.4
433.12601	100.0
434.12888	2.8
451.13623	0.9
457.08020	0.3
474.15408	4.2
489.10181	0.4
843.24609	0.4
861.23309	0.3
862.22614	0.4
863.21826	0.6
864.22119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.6
68.05031	1.7
70.06596	61.4
70.73679	1.4
71.04997	0.8
75.05206	0.9
75.05608	12.3
76.03969	0.6
79.10801	0.6
83.06102	2.2
84.04510	32.4
85.06496	0.6
85.07655	1.3
88.07611	0.6
91.05481	8.4
91.88737	0.5
95.06087	3.0
96.04490	2.2
97.07655	2.5
98.06018	0.8
101.06513	1.1
101.07145	14.0
102.05529	2.9
103.05465	2.0
107.04958	1.6
112.08733	25.9
113.07110	4.7
115.08700	10.0
118.06574	0.7
119.04960	6.6
120.08114	35.2
121.06483	0.7
122.06019	0.6
124.03973	1.9
124.08685	0.9
125.07053	1.0
129.06595	5.6
130.04980	0.9
131.04951	0.6
132.08060	1.9
132.83664	0.6
136.07587	91.1
140.08195	2.4
141.06575	3.7
146.06116	0.7
147.04434	1.4
148.07607	5.6
148.08673	1.2
151.05032	0.7
152.03423	4.0
152.07079	0.7
152.08246	1.9
157.10881	0.9
159.07639	0.7
160.07555	0.7
161.10703	0.7
167.08188	2.2
168.07764	0.9
169.06102	7.5
169.10953	0.6
172.11076	0.9
175.08612	0.6
176.07114	0.8
177.10196	3.1
181.09729	1.1
181.40111	0.6
184.34995	0.7
186.08769	7.3
187.07188	3.6
193.09741	19.4
195.07701	2.2
200.10767	1.0
203.08250	1.6
205.09724	2.8
206.09306	0.9
207.62828	0.6
212.10344	2.0
213.08751	1.6
215.08173	1.0
216.14973	1.9
217.13409	2.0
221.09273	3.9
222.12379	2.0
223.07133	2.1
224.10320	0.7
227.11807	1.0
230.12947	0.7
232.10956	0.8
233.12862	0.7
240.09641	0.8
241.08286	2.7
241.16302	0.6
242.12840	4.2
244.14468	4.5
252.09966	0.7
253.08173	0.8
258.10724	1.3
259.15585	15.4
261.12155	0.7
270.12491	0.7
271.10999	0.7
277.89050	0.7
280.09543	0.7
281.07739	1.1
287.15012	2.2
295.14380	0.7
297.11893	1.4
298.10181	2.8
303.14618	5.3
304.13052	3.0
308.93582	0.6
315.12958	1.5
316.13199	0.7
316.17697	0.7
333.15460	0.9
338.09909	0.8
343.14133	0.9
344.17242	1.1
355.12463	1.1
360.16803	2.0
361.20041	1.6
386.89038	0.7
433.17627	1.3
444.23688	1.6
471.19922	1.0
472.23529	0.9
573.27893	1.6
580.71454	0.7
743.79810	0.7
793.35522	0.8
810.39264	1.0
820.37018	0.8
821.35522	2.0
838.38470	100.0
839.38904	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	837.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.1
67.05495	1.9
68.99787	0.9
69.03436	1.5
70.26810	1.9
75.04478	0.8
79.05500	4.1
81.03419	1.6
81.07045	2.6
91.05494	5.8
93.07051	2.2
95.04971	4.0
95.08572	1.1
101.06016	0.7
103.05493	1.6
105.03377	1.1
105.04520	0.8
105.07028	2.0
107.04962	3.5
108.05704	0.9
109.06521	2.3
112.22431	0.8
115.05453	1.5
117.07009	2.0
119.04951	1.5
119.08581	2.4
121.06526	7.7
123.04465	1.1
123.08030	0.9
125.06020	0.9
128.06200	1.4
129.07028	4.6
131.04932	2.2
131.08525	1.5
133.02838	2.0
133.06509	1.1
135.04431	2.8
135.08043	1.2
136.05183	3.2
137.05998	1.4
138.06764	0.7
139.07541	1.9
141.06973	2.2
142.07707	0.7
143.08554	1.1
145.06487	3.8
147.04427	7.8
147.08078	5.9
148.05234	3.9
149.02333	3.9
149.06017	6.8
150.06755	2.1
151.03917	1.6
151.07552	20.0
151.84843	0.6
153.05458	1.6
155.08557	2.1
157.06491	3.6
158.07285	4.0
159.04433	1.6
159.08044	2.0
160.05287	0.9
161.02377	7.5
161.05991	6.2
163.03897	3.4
163.07518	3.2
164.04712	4.6
165.05460	2.7
165.06847	0.9
166.06177	1.0
167.03397	3.0
167.07068	8.1
167.08472	1.2
167.15237	0.6
168.05836	0.9
169.06477	1.2
169.10072	0.9
171.04407	1.2
171.08072	1.7
173.06003	2.3
173.09639	4.4
174.06850	0.9
175.03917	3.7
175.07538	4.2
176.04703	3.9
177.05473	13.9
178.06207	2.0
178.07706	0.8
179.07054	21.7
179.08530	1.1
181.05020	1.6
181.06477	1.1
181.08571	1.9
182.07178	0.7
183.08073	1.6
185.06000	8.2
185.09563	0.9
187.03954	4.0
187.07524	1.8
189.05498	2.4
189.09097	4.0
191.03387	1.5
191.07045	49.3
192.07825	75.2
193.04950	4.0
193.08150	1.0
194.05733	1.5
195.08046	2.3
197.05969	1.6
198.06732	0.9
199.07588	2.0
201.05434	1.6
201.09158	7.0
203.07043	100.0
204.07368	1.9
205.05008	2.0
207.06528	18.1
207.08365	1.3
208.07300	5.8
209.08083	6.0
210.06664	1.2
211.07530	3.6
212.08131	0.6
213.05522	1.1
213.09055	5.4
214.06326	1.2
215.07002	0.9
215.10722	0.9
217.08574	6.7
223.07675	0.8
225.09114	1.6
227.06982	3.6
228.07677	0.9
229.08580	10.5
237.05490	0.7
238.06152	0.8
241.08533	1.6
243.10181	26.3
249.08994	1.3
249.11266	1.7
251.07077	1.4
257.08069	2.0
261.09067	0.9
263.07074	1.2
263.10556	0.8
265.04828	0.8
265.08612	1.9
267.06598	0.7
269.07965	0.9
273.08881	0.8
275.10745	0.7
277.04999	0.8
277.08456	1.4
279.06558	1.8
279.10059	1.5
281.08325	1.0
281.11713	1.5
288.07880	0.8
289.08667	1.6
290.09415	0.8
291.06583	2.2
291.10028	1.3
292.07455	0.7
293.07938	2.0
293.11554	1.0
295.13388	0.7
297.07642	0.8
303.06763	1.3
303.10208	1.9
304.10794	0.7
305.08182	2.1
305.11679	1.3
306.08948	1.1
307.06110	1.6
307.09467	1.2
308.06876	0.7
308.10373	1.4
309.07678	0.9
310.08282	1.0
311.09363	1.4
315.06403	1.1
316.07486	0.8
317.07950	2.2
317.11407	0.8
318.09058	1.3
319.05994	1.0
319.09708	1.8
321.07748	0.9
321.11191	5.4
321.14597	1.0
323.09384	1.0
323.12640	3.6
331.05994	1.0
331.09485	1.6
333.07419	0.8
333.11203	1.6
334.08313	1.1
335.09155	1.4
335.12738	1.6
337.10718	2.7
339.08606	1.7
339.15854	5.4
347.09256	2.3
347.12997	1.0
349.10724	11.1
349.14566	1.2
351.12259	2.1
353.13794	2.3
355.09818	1.2
361.10880	1.0
363.12387	1.4
365.13791	1.2
367.15417	31.7
368.15881	1.3
377.10168	1.8
378.10956	1.0
379.11810	8.9
381.13391	7.0
387.12283	0.8
391.11633	2.6
397.12872	0.9
409.13095	6.4
411.14420	44.9
412.14746	1.6
415.11945	1.8
419.14694	0.9
421.16193	1.2
469.12851	0.9
471.10287	1.0
473.12024	1.3
487.13681	1.3
499.14236	0.9
507.14389	1.2
525.15253	2.7
545.14398	0.8
553.15149	1.7
557.17834	1.5
567.16327	2.9
568.16620	1.1
585.17383	3.0
599.19257	1.3
617.20007	2.4
673.20209	1.0
727.22321	1.5
741.23096	1.4
745.22314	3.0
755.20709	2.4
759.24060	2.0
769.22217	2.9
773.22345	1.2
775.24463	0.8
787.23962	8.6
788.24103	0.9
791.26190	0.9
801.25177	3.1
805.24585	1.9
819.26166	2.9
837.27069	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	832.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02925	1.0
58.06603	36.7
59.06126	2.8
60.04525	2.4
61.02923	4.0
65.03960	1.9
67.05509	29.6
69.03433	1.9
69.07067	6.0
69.88263	3.7
70.06593	3.2
71.04991	1.4
73.02908	2.5
79.05495	26.1
80.05019	2.8
81.03450	1.5
81.05791	1.6
81.07060	23.6
82.06599	3.8
83.05003	1.4
83.08630	3.2
84.04510	3.2
84.08149	5.9
85.02909	3.8
91.03955	2.5
91.05488	17.2
93.07053	17.9
94.06572	13.7
95.04968	3.3
95.08612	17.4
95.09584	1.1
96.08139	2.7
97.02902	3.6
97.06502	1.3
98.20741	1.3
105.04497	1.6
105.07036	12.4
106.06566	1.8
107.08585	13.4
108.08128	3.3
109.10168	7.0
110.06053	1.1
110.09683	2.8
112.06838	1.0
112.07617	4.4
117.07051	6.2
119.08587	8.4
120.08115	2.4
121.10159	8.4
122.09698	2.5
124.11245	4.7
129.07039	2.0
131.08588	6.4
132.08139	1.2
133.10136	5.1
134.09702	1.8
135.11674	4.1
136.11211	1.9
143.08569	2.1
144.24854	1.0
145.10126	5.8
147.11652	2.2
148.11273	1.8
149.13283	2.3
152.10686	2.0
157.10139	3.1
159.11734	2.8
160.11169	1.1
161.13217	1.7
164.14366	3.4
171.11710	2.6
187.14839	1.3
197.13280	1.1
200.42403	1.1
220.16962	2.1
267.58817	1.0
300.23190	2.3
301.21603	1.7
318.24356	5.2
335.25812	11.9
374.27090	1.4
392.27975	4.6
418.31125	1.1
532.39984	3.0
572.43164	3.2
612.46490	2.5
623.47327	1.4
635.46466	1.8
652.49274	7.4
670.50446	100.0
671.50568	7.9
814.54773	2.6
832.55780	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	829.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.6
64.26200	0.4
67.05505	5.6
69.03432	3.0
69.07074	1.2
69.85289	1.7
71.04995	1.0
73.02916	3.4
73.03261	0.4
77.93853	0.4
79.05497	5.0
81.03413	1.9
81.07056	4.6
83.08631	0.7
85.02905	4.7
87.04484	0.5
91.03966	3.1
91.05479	4.1
93.07047	5.2
95.04977	0.8
95.08615	4.0
97.02902	4.5
97.06536	0.4
98.21054	1.0
99.04460	1.0
101.02394	2.4
103.03998	0.4
105.07055	2.9
107.08582	2.8
109.02896	0.8
109.06528	0.5
109.10156	1.7
117.07059	1.0
119.08585	1.9
121.10172	1.5
127.03920	1.9
129.07005	0.7
131.08601	1.2
133.10158	1.1
135.11737	0.9
143.08618	0.3
145.10147	1.1
147.11732	1.0
159.11786	0.5
161.13258	0.4
185.04269	0.5
243.08418	2.2
247.13171	0.6
247.87498	0.4
303.15924	0.5
303.19336	0.4
320.97742	0.4
333.20340	3.0
335.25964	0.4
389.22943	0.4
465.21109	2.9
470.04294	0.4
519.29272	5.7
551.28351	6.6
592.04242	0.4
743.43433	1.2
829.50726	100.0
830.51074	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	827.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33313	2.1
63.14963	2.2
69.03426	2.5
69.07077	4.3
69.44929	14.7
70.06587	2.8
77.37766	3.1
79.05439	2.4
80.05012	2.5
81.03388	2.3
82.06586	4.6
85.02905	5.9
89.03897	2.5
91.05486	4.7
93.03413	2.4
93.07047	7.5
94.06585	10.4
95.04953	3.1
95.07347	6.5
96.08135	23.5
96.75478	2.0
97.06543	3.1
100.57000	2.5
103.05471	3.2
106.06567	5.1
106.26221	2.3
108.04500	2.7
108.08118	18.8
110.09687	38.3
116.04990	9.3
120.04504	6.5
120.08109	27.3
122.06037	13.8
123.06815	2.8
124.07594	34.6
134.06033	11.9
136.07581	29.4
138.09148	42.8
140.07086	4.0
144.04500	16.4
144.08043	2.4
146.06018	35.1
148.07545	17.6
150.05530	5.4
150.09120	4.7
152.07089	6.7
160.03973	6.5
160.07579	2.8
162.05530	14.6
164.07065	7.0
166.08647	52.3
167.07010	2.4
172.03946	90.6
172.05435	4.8
172.07480	3.3
172.09439	2.5
174.05580	5.4
176.07086	18.3
178.05016	4.4
178.08588	3.7
188.07083	3.5
190.04996	63.7
190.08524	2.6
192.06548	5.9
193.07343	2.7
194.08125	10.7
204.06580	100.0
205.06914	3.4
206.08168	4.8
211.12357	2.4
216.27672	2.6
218.08252	4.8
224.09267	4.9
225.10109	3.1
227.11847	3.9
232.09743	6.0
236.09274	7.3
237.10217	4.9
238.10933	5.2
239.11830	3.2
244.06189	4.5
246.07607	3.3
248.09340	4.1
249.10223	9.3
250.10942	7.1
251.11836	10.1
252.08978	3.9
253.09673	4.1
253.13327	3.5
254.10307	6.1
255.11253	6.0
257.13095	3.5
262.11017	6.5
263.11703	11.1
264.08981	7.1
265.09818	8.3
265.13254	2.4
266.10495	4.3
267.11307	8.2
268.12088	2.6
269.12769	3.1
271.14526	5.1
272.05551	3.6
273.12268	5.9
275.11761	2.8
277.09747	6.7
278.10345	27.0
279.11304	14.6
280.08182	12.2
280.11563	4.7
281.12924	7.5
282.10052	2.6
283.10846	4.9
284.11609	3.4
285.12317	11.7
287.05426	3.3
291.11349	6.2
293.09531	4.7
293.12836	6.8
294.09805	6.7
295.10678	5.8
295.14124	4.0
296.11328	38.3
297.12338	30.5
298.09262	4.0
298.12738	2.7
299.13916	33.9
303.13678	3.8
305.09274	5.5
306.10065	3.2
307.10745	8.7
309.12445	12.8
310.12869	2.8
311.10269	3.9
313.11948	5.3
313.15601	2.9
314.12381	8.8
319.10776	5.2
321.12338	17.9
323.10275	25.1
323.13940	3.4
324.10922	3.8
325.11862	70.5
327.13428	12.5
335.10110	5.9
337.11847	22.3
343.12915	9.0
355.12833	3.2
357.14600	31.3
359.15881	6.6
365.11359	5.1
367.12939	4.7
373.13953	3.8
377.11407	6.4
379.12943	3.4
395.12186	3.5
399.15442	2.7
407.12445	9.1
416.16000	3.9
419.12601	3.5
425.13376	4.3
431.12558	3.0
437.13525	3.7
439.15326	3.3
449.13730	7.5
455.14346	9.9
467.14569	4.3
471.19540	3.1
474.20068	2.7
476.18069	5.1
485.15680	2.4
490.19568	4.0
505.17841	7.4
518.19421	3.3
520.20563	5.4
536.20105	3.4
549.17297	5.4
572.20435	4.5
576.23608	3.4
594.24359	12.0
602.21735	12.0
604.22559	6.4
616.22583	5.6
620.22449	87.8
621.22748	7.2
622.23706	7.5
634.23700	7.6
638.23486	78.3
639.23505	6.9
640.24768	5.5
652.25110	48.0
653.25500	9.7
670.26001	29.4
671.25659	2.7
672.27454	3.3
759.28265	4.4
777.29321	7.5
795.30389	7.5
814.68262	2.5
827.34021	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	827.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14119	2.0
72.11274	2.0
79.05488	4.7
80.05034	2.8
81.03447	2.9
82.06581	4.8
85.02916	5.9
89.03935	2.4
91.05494	2.8
93.07024	4.9
94.06573	9.5
95.07355	7.4
96.08134	23.7
103.05494	3.2
106.06548	7.1
108.04472	3.4
108.08132	19.7
110.09681	32.6
116.05012	8.6
120.04469	6.9
120.08127	20.4
122.06035	14.8
124.07609	33.2
134.06023	11.2
136.07581	28.1
138.05481	2.6
138.09157	37.7
144.04478	18.0
146.06009	30.5
148.07611	16.2
150.05502	5.2
150.09135	2.0
152.07091	8.8
160.04033	4.9
160.07643	2.9
162.05525	10.3
164.07066	10.4
166.08653	55.6
167.06989	2.8
172.03944	87.3
172.07550	2.2
174.05515	6.2
176.07083	17.9
178.05051	5.0
178.08580	2.8
188.07118	3.4
190.05005	63.3
190.08617	2.7
192.06610	7.1
194.08229	5.9
197.10747	3.3
202.08809	2.7
204.06586	100.0
206.08174	3.9
208.06136	2.6
218.08228	4.1
225.10216	4.2
227.11792	5.3
232.09627	4.6
236.09344	8.7
237.10202	6.1
238.11021	3.5
239.11772	5.7
244.06279	2.6
245.13051	2.6
249.10231	10.7
250.10976	8.2
251.11766	11.3
252.08868	3.3
253.09702	4.1
254.10353	7.7
255.11320	9.8
262.07089	4.3
262.10968	6.0
263.11865	12.4
264.08881	7.6
265.09821	7.1
265.13385	6.2
266.10486	6.3
267.11322	8.9
271.14429	2.8
272.05637	3.3
273.12402	9.1
277.09799	6.2
278.10345	26.3
279.11230	19.9
280.08295	14.5
280.11868	6.6
281.09030	2.3
281.12961	6.1
282.10056	2.5
283.10825	4.4
285.12460	7.6
287.05618	3.5
291.11325	8.4
292.12079	3.3
293.09509	3.2
293.12845	3.8
294.09821	2.9
295.10788	8.5
296.11337	38.4
297.12268	24.3
298.09253	4.7
298.12622	2.6
299.13931	36.6
303.13947	2.5
306.09720	2.7
307.10736	8.4
308.11499	2.3
309.12366	16.0
311.10345	4.4
311.13901	2.7
313.11948	3.3
314.12335	11.2
317.09579	2.7
319.10852	6.7
321.12399	16.7
323.10324	23.4
325.11844	70.7
327.13406	7.7
331.10901	2.7
333.12363	2.4
335.10275	6.2
336.11179	2.8
337.11755	19.7
339.13379	6.3
341.11679	2.5
343.13016	6.8
357.14468	34.2
359.15952	4.3
365.11285	3.3
367.13034	3.9
373.14053	3.5
377.11404	6.3
395.12509	3.3
398.14859	3.2
407.12299	5.9
408.13226	3.6
416.16107	3.1
419.12354	5.0
421.14493	2.9
425.13098	4.1
431.12085	3.5
449.13391	4.2
455.14517	7.3
466.34427	2.5
467.14304	8.4
469.16882	2.9
471.19354	5.1
473.15704	2.8
476.17957	3.1
490.19818	3.5
505.18204	9.2
517.17609	2.8
520.20660	7.4
549.17194	3.8
572.20447	3.8
576.23535	3.6
584.20313	2.7
594.24756	11.1
602.21124	13.4
604.22894	6.7
612.26422	2.5
616.22961	5.2
620.22437	87.3
621.22485	6.1
622.23645	6.9
629.26123	2.8
634.23529	7.7
638.12708	4.4
638.23425	88.7
639.23572	7.0
640.24890	6.4
652.25073	49.5
653.25330	9.9
670.26105	29.9
671.25598	3.5
759.28809	4.6
777.29486	4.5
795.30676	6.7
827.33893	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	826.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.4
60.45169	0.4
61.02934	9.6
65.03924	1.2
67.05512	55.7
69.03405	1.6
69.07069	5.1
69.29287	0.5
71.04980	2.0
71.08640	13.7
73.02925	3.3
79.05476	1.3
81.03430	0.7
81.06582	0.7
81.07063	13.7
83.08629	8.7
85.02912	10.5
85.06528	1.7
85.09730	0.6
85.10189	7.8
89.06034	1.2
91.03967	6.9
91.05495	3.3
93.07031	2.2
95.08059	0.9
95.08618	13.7
97.02911	5.9
97.10189	2.4
99.04458	1.1
99.11754	0.6
99.93375	0.5
101.02350	0.5
105.07095	0.7
107.08563	1.4
109.02851	0.7
109.10165	58.2
110.10512	0.9
111.08075	2.2
119.08576	4.5
123.11702	2.0
127.03913	2.7
137.09605	1.9
137.13216	0.7
145.04965	3.5
151.14789	0.6
155.10684	3.9
163.06046	4.1
172.46005	0.4
173.11757	15.4
229.14372	100.0
230.14706	1.4
239.23689	1.6
257.24789	1.1
268.95599	0.5
284.20560	0.6
313.27393	78.0
314.27686	2.3
431.77051	0.6
433.12799	1.3
434.12943	0.7
467.37393	63.6
468.37769	2.9
520.55774	0.6
582.86249	0.5
639.51819	0.5
679.10986	0.6
826.32751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.3
65.03934	2.8
67.05510	40.6
68.99792	4.4
69.03078	1.4
69.03436	26.0
69.07072	51.7
70.28197	2.7
71.01368	1.6
71.04990	4.4
71.08647	6.1
73.02924	3.4
73.06572	1.2
79.05121	1.4
79.05507	16.6
81.03427	26.5
81.07063	100.0
83.04981	3.6
83.08621	31.2
85.02913	43.4
85.03432	2.2
85.06546	17.8
85.10167	3.2
87.00839	21.2
91.05500	8.4
93.07046	23.0
95.04994	5.6
95.08614	90.4
97.02901	23.8
97.06535	2.8
97.10175	31.6
99.04467	6.6
99.08100	15.7
103.03968	1.2
104.72441	1.0
105.01890	12.4
105.07041	6.3
107.04977	1.4
107.08606	21.0
109.02888	27.4
109.06515	2.3
109.10164	69.8
111.04466	1.4
111.08076	4.2
111.11720	13.3
113.09625	2.7
115.03967	1.5
117.06961	2.0
117.17418	1.4
119.08596	5.3
121.06519	2.1
121.10140	13.6
121.62440	1.1
123.04493	1.2
123.11716	35.0
124.12053	1.1
125.02320	1.5
125.09573	1.9
125.13300	5.4
127.03928	39.0
127.11201	2.1
129.01849	2.5
129.06981	1.8
129.12744	1.3
131.08600	3.9
133.10132	3.1
135.05348	1.4
135.08070	1.5
135.11716	15.6
136.06201	12.8
137.05898	2.3
137.09644	1.7
137.13271	14.7
139.11238	1.3
139.14888	1.6
145.04939	7.5
145.10136	3.1
147.02875	1.2
147.11717	2.3
149.05959	1.2
149.13269	14.6
151.03947	1.5
151.14841	11.5
153.12823	3.5
157.10135	2.1
159.02888	4.6
160.85399	1.1
161.13278	1.1
163.14836	9.1
165.09198	1.5
165.16402	10.5
169.04984	2.3
171.02888	1.6
177.16368	2.7
179.17972	5.8
183.17462	1.6
187.06027	2.4
189.04016	2.6
191.17940	2.6
193.12238	1.4
193.19466	1.4
197.18982	1.2
205.19545	4.2
207.21054	1.7
213.03938	5.0
219.21101	3.7
223.20476	2.0
231.05064	7.3
241.21646	12.0
249.06020	1.4
255.23216	4.5
263.27332	5.6
273.06055	3.9
275.27411	10.5
281.28436	4.5
287.05399	1.5
293.28409	55.9
294.28580	1.3
299.29498	20.1
305.28415	1.2
309.27905	1.4
311.29459	63.2
312.29800	2.0
329.30560	34.2
335.29221	1.4
377.30844	1.2
383.29474	3.9
389.30609	1.5
401.30634	5.6
410.48871	1.1
419.31757	5.5
437.32233	1.2
461.09131	1.3
497.34457	2.1
505.31525	3.2
523.32648	5.0
541.33191	1.9
548.66888	1.4
552.56708	1.2
559.34827	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	824.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49372	0.7
65.03940	4.5
67.05498	1.9
69.03413	1.9
71.58674	0.7
75.04465	2.4
78.04711	2.1
79.05492	3.8
81.03406	2.4
81.07055	1.2
82.04173	0.7
85.02913	5.9
85.21571	0.7
87.55462	0.7
89.03888	0.9
90.55966	0.6
91.05484	8.7
93.03419	7.8
93.07058	4.1
95.04961	3.0
95.08630	1.1
97.02873	1.5
97.06532	1.9
103.05476	12.9
105.03412	1.0
105.07023	4.9
106.04177	12.7
107.04976	6.0
107.08598	1.0
109.02851	0.6
109.06503	1.3
110.03632	1.0
111.04446	1.0
115.05446	4.0
117.07023	2.6
118.04156	2.6
119.04942	1.9
119.08617	0.7
121.06512	16.0
123.04403	3.1
123.08047	0.9
124.05231	1.6
125.06012	7.4
127.03852	1.0
130.04161	1.3
131.04939	12.9
132.05702	1.3
133.02852	0.8
133.06497	4.0
134.03648	1.8
135.04382	1.4
135.07965	1.1
135.12556	0.7
137.05969	4.1
138.09143	0.9
139.07570	0.7
142.02635	1.0
143.04950	0.8
144.05659	0.8
145.02892	1.9
145.06470	2.9
147.04367	1.3
147.08072	1.7
148.05186	7.1
149.05994	30.5
151.03883	1.9
151.07533	2.3
152.04645	0.9
153.05428	2.6
153.07092	0.8
153.09096	8.2
157.06516	0.8
159.07985	1.3
160.05305	0.9
161.05980	6.1
162.07619	1.3
163.03889	1.8
163.06264	1.3
163.07545	14.1
165.05519	1.2
166.06224	0.8
167.07056	38.9
171.06642	1.1
173.06015	4.5
175.07509	2.1
176.04704	1.6
177.05479	17.8
177.09010	0.8
181.04967	42.8
181.08572	16.2
187.07484	3.3
190.06238	1.4
191.07042	53.8
192.07730	0.9
193.04968	0.9
193.08612	4.2
195.06534	2.3
201.05453	1.5
203.07054	2.1
205.08635	2.2
207.06540	1.8
207.10138	0.7
209.08099	100.0
210.08319	1.8
217.08633	1.5
219.08347	0.9
219.10185	3.4
220.06950	0.8
233.07991	3.2
235.07619	1.0
235.09669	3.4
245.08069	1.1
248.78386	0.6
252.08047	0.9
263.06531	1.2
263.09174	16.9
267.10214	2.3
278.39871	0.7
297.11182	1.4
307.09607	0.8
325.10657	1.5
353.10275	0.7
357.13266	4.1
367.11386	1.1
369.13672	1.2
385.12839	7.3
399.14264	2.2
412.19070	0.7
417.15454	16.1
458.84415	0.7
462.85074	0.8
609.23047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50686	1.8
61.02926	3.3
65.03944	5.7
67.05507	83.3
69.03419	6.7
69.07063	25.1
70.17866	1.7
71.05003	4.4
73.02915	2.2
79.05495	73.0
81.03403	4.4
81.07060	76.2
83.04974	5.6
83.08615	15.7
85.02921	3.3
85.06545	6.3
91.05489	67.9
93.07049	73.9
95.04967	8.1
95.08608	59.8
97.02872	4.3
97.06528	7.7
97.10172	6.3
99.08083	4.5
103.05446	3.8
105.04520	3.3
105.07038	62.4
107.04965	4.6
107.07866	2.5
107.08595	48.4
109.06509	6.2
109.10159	27.5
111.08101	7.9
115.05479	3.2
117.07033	35.6
119.08593	49.0
121.06512	2.4
121.10148	29.6
123.08101	4.7
123.11730	6.5
125.09672	3.9
128.06277	3.2
129.07014	16.6
130.07811	2.8
131.08568	35.8
133.06413	2.4
133.10136	26.1
135.08060	4.0
135.11708	16.6
136.40393	2.0
137.09605	3.3
141.07002	4.1
142.07774	3.9
143.08568	16.1
144.09184	2.1
145.06534	2.0
145.10135	41.2
147.11688	22.6
149.09641	8.0
149.13272	8.9
151.11272	2.5
155.08572	6.5
156.09286	2.0
157.10107	15.4
159.11688	38.3
161.09651	2.4
161.13246	12.6
163.11244	3.7
163.14790	2.5
169.10112	10.7
171.11693	10.7
173.09724	2.5
173.11932	2.9
173.13271	19.2
175.11212	4.0
175.14824	5.6
177.12776	2.5
181.10126	2.5
183.11690	7.9
185.13277	30.2
187.11215	2.8
187.14842	5.4
189.12860	2.8
191.14371	2.9
191.25652	1.7
197.13307	6.1
199.14888	4.8
201.16348	3.4
203.14326	8.6
205.15865	3.1
211.14832	2.9
215.17844	2.6
216.35048	1.9
217.15889	2.0
219.17499	10.8
221.15318	2.8
223.14903	2.2
227.12785	3.9
229.19542	5.1
229.63029	2.3
239.18083	14.1
241.19545	3.7
257.19006	35.2
259.20575	4.4
261.22131	6.6
275.20071	41.7
281.29797	2.0
293.21112	2.5
317.24677	3.4
331.22549	10.7
333.24326	2.9
335.25812	100.0
336.26151	2.1
349.23770	49.8
351.25223	3.6
529.39044	2.6
555.40466	5.0
609.45209	61.8
627.45801	5.7
747.79626	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	818.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.9
58.46051	5.6
67.05517	51.7
69.07076	16.8
69.31225	29.5
69.31658	23.7
79.05530	33.1
79.05905	5.9
81.07070	52.5
83.08627	6.7
87.82085	6.6
91.05506	29.4
93.07050	46.7
95.08612	51.6
105.07044	18.8
107.08594	22.0
109.10162	23.4
114.24445	6.3
117.07056	9.2
119.08608	19.8
121.10166	18.0
123.11742	12.6
127.14877	6.0
131.08586	7.3
133.10158	16.1
135.11720	17.0
145.10115	10.7
147.11731	8.7
149.13306	10.9
149.64595	5.7
161.13243	6.3
173.00195	5.7
173.13295	12.4
261.22174	19.3
335.25867	100.0
396.70572	6.6
425.95441	8.4
595.47247	20.5
638.55121	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	821.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	1.7
67.05540	0.7
69.03419	0.8
71.08978	1.0
71.09327	0.6
75.04495	0.6
77.03933	0.8
79.05505	3.2
81.03436	1.5
81.07059	1.7
83.04995	0.8
91.05495	5.8
93.07057	1.5
95.01347	1.4
95.04973	4.0
101.06041	1.3
103.05480	2.6
105.03423	1.2
105.07043	1.7
106.04176	0.5
107.04964	3.3
108.05737	1.1
109.06533	2.6
115.05459	1.7
117.07047	0.9
119.04967	1.9
119.08607	1.7
121.02832	1.2
121.06513	11.0
122.03692	0.6
123.00825	0.6
123.04472	1.2
123.08128	0.7
124.05196	0.7
125.06039	0.9
128.06270	2.0
129.07002	3.5
131.04945	2.2
131.08598	1.4
132.05713	1.0
132.82312	0.5
133.02863	3.5
133.06541	1.1
135.04439	3.1
135.08102	1.2
136.05212	4.3
137.05971	0.9
139.07547	3.7
141.07039	1.3
143.05090	0.8
143.08606	1.1
144.05759	0.8
145.06493	3.2
145.10172	0.6
147.04416	7.8
147.08040	5.2
148.05209	4.8
149.02345	5.5
149.05997	6.0
150.06808	3.0
151.03896	1.5
151.07550	24.7
153.05499	1.4
153.07019	0.7
153.09142	0.6
155.08611	2.2
157.06467	3.3
158.07262	4.4
159.04442	2.4
159.08105	2.8
160.05244	1.6
161.02380	8.1
161.05989	6.5
161.09624	0.8
162.02998	0.5
162.06856	0.6
163.03908	5.2
163.07550	3.1
164.04703	5.7
165.05472	1.6
165.06940	0.7
165.09125	1.3
166.06332	1.0
167.03455	3.5
167.07059	8.5
167.08429	1.0
169.06436	0.9
169.10097	0.8
171.04462	0.9
171.08081	1.4
173.05981	2.3
173.09644	4.0
174.06776	0.8
175.03888	3.2
175.07553	3.7
176.04768	3.6
177.05484	18.8
177.08975	0.7
178.06308	6.1
178.07788	1.0
179.07045	40.1
180.07489	0.7
181.04953	1.1
181.06488	1.6
181.08656	1.6
183.08115	2.0
185.06003	6.6
185.09596	0.8
186.06627	0.6
187.03944	5.3
187.07559	2.1
189.05495	3.3
189.09109	4.1
191.07040	50.9
192.07820	81.3
193.05002	1.4
193.08667	2.6
195.08060	1.8
197.09665	1.1
198.06795	1.3
199.07561	2.2
200.08281	0.6
201.05577	2.8
201.09120	7.6
203.07040	100.0
204.07442	2.3
205.04941	1.7
205.08574	1.2
207.06514	9.8
209.06169	0.9
209.08029	4.7
211.07552	4.2
213.05499	1.4
213.09108	5.2
214.06223	1.2
215.06989	1.3
217.04997	0.9
217.08589	5.5
218.07257	0.6
219.06516	4.0
219.08217	0.5
223.07536	1.2
225.05437	1.4
225.09172	1.8
227.07027	3.3
229.08594	9.4
233.09665	0.7
235.07509	1.1
237.05450	1.0
239.06992	0.8
241.08585	2.0
243.10188	26.2
244.10617	0.7
247.07529	0.9
249.09042	1.0
249.11253	1.5
251.07076	1.7
252.07916	0.6
253.04956	0.7
253.08594	0.7
257.08032	0.9
261.09045	1.8
262.09891	0.9
263.07211	1.3
263.10553	0.8
265.08533	2.1
266.09622	0.5
267.06421	0.9
269.08224	0.8
275.07138	1.3
275.10574	0.7
277.05258	0.9
277.08606	1.3
279.06561	1.9
279.09979	0.9
280.10867	0.6
281.04419	0.7
281.08078	1.1
281.11664	1.5
288.11496	0.6
289.08502	2.3
290.09467	0.7
291.06534	1.6
291.09985	1.0
293.04703	0.6
293.08087	2.4
293.11560	1.2
295.09671	0.9
297.11240	0.8
303.06561	0.8
303.09979	1.0
304.07562	0.6
305.07977	2.0
305.11520	1.3
306.08765	1.1
307.05951	1.0
307.09589	1.1
307.13174	1.2
308.10529	0.8
309.11255	1.0
313.10928	0.6
317.08105	2.5
319.06018	0.6
319.09592	1.1
319.13190	0.8
320.10208	0.9
321.07791	0.9
321.11182	4.4
323.12793	3.7
331.09503	1.3
333.11063	1.2
335.08945	1.7
335.12729	1.5
337.10614	1.7
337.14297	1.0
339.15894	4.6
341.10254	0.6
345.07556	1.8
347.09055	1.2
347.12842	0.9
349.06738	0.9
349.10715	9.3
349.14346	0.7
351.12152	1.9
353.13785	1.6
359.12570	1.0
361.10791	0.8
363.08539	1.1
365.09882	0.8
365.13913	1.1
367.15424	28.2
368.15588	0.7
379.11728	9.6
381.13437	3.2
387.12122	0.5
393.13092	2.4
395.11298	1.0
396.11276	0.6
397.12729	2.0
405.12573	1.1
410.13104	0.7
411.14392	40.6
412.14603	1.7
417.13065	0.6
419.14871	1.3
421.16223	1.4
445.12762	0.7
469.12814	0.6
471.14490	2.4
473.12442	1.5
483.14026	0.8
501.15057	0.8
509.15683	1.9
511.13809	0.8
527.16748	1.0
537.15454	2.7
541.18567	0.8
551.16559	0.7
555.16016	1.1
569.18146	4.3
601.20093	1.2
640.25226	0.6
683.36359	0.7
711.21558	1.6
729.23114	3.5
731.20007	0.8
739.22461	2.6
743.24463	1.4
757.22052	1.8
759.23322	0.7
771.24500	5.2
789.25323	4.0
803.26160	2.2
821.28320	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	811.444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.04998	1.0
61.02933	4.7
67.05512	4.6
69.03439	3.1
69.07079	1.4
71.04993	2.0
73.02918	2.9
79.05506	5.8
81.03429	4.7
81.07053	4.7
83.08620	1.5
83.89344	0.6
85.02919	4.8
91.03953	2.2
91.05492	5.3
91.13512	0.6
93.07043	4.0
95.04973	1.6
95.08623	2.4
97.02901	3.9
97.06485	1.0
98.20724	1.7
99.04475	1.2
101.02397	2.2
105.07042	4.7
107.08632	2.2
109.02878	0.7
109.06540	1.0
109.10161	0.8
110.55248	0.6
114.52493	0.7
115.05484	0.6
117.07011	1.1
119.08597	3.8
121.10170	2.4
127.03932	1.2
129.07025	1.9
131.08652	2.2
133.06503	0.8
133.10150	2.2
145.10172	1.5
147.11748	2.2
149.09653	2.4
157.10172	1.2
163.11194	0.8
193.12419	1.6
197.15549	0.8
203.05417	0.7
225.14882	0.8
243.08437	4.1
247.13200	0.8
267.15973	0.8
283.15146	2.7
333.20514	3.4
334.80057	0.7
339.17929	1.3
378.68088	0.8
465.20956	5.1
469.20682	0.8
501.23074	12.8
545.50043	0.8
551.28339	7.1
552.28607	0.7
725.37439	2.0
811.44495	100.0
812.44867	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	811.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48864	0.3
68.31452	0.3
69.81173	0.8
69.81581	1.2
70.06590	0.7
71.46273	0.3
79.05479	0.5
81.07076	0.4
85.02925	0.3
91.05448	0.4
96.08142	1.9
98.20811	0.4
139.07637	0.5
151.07593	0.4
152.07756	0.4
167.07086	0.8
169.06383	0.3
175.11046	0.3
179.07066	0.7
187.03963	0.5
191.07043	0.6
192.07764	2.3
193.08130	0.6
200.19131	0.3
203.07062	1.3
213.09097	0.6
222.98962	1.0
229.08664	0.5
229.60851	0.4
237.00851	0.6
241.00047	1.4
242.00746	0.8
268.56961	0.3
307.57489	0.4
308.07776	0.4
309.07062	0.5
317.57904	0.3
342.59677	0.4
395.15009	0.9
414.62610	1.1
415.12473	1.3
415.62592	0.7
416.12155	3.2
416.62234	5.1
417.13120	100.0
418.13513	3.6
424.13058	0.7
424.63181	1.2
425.12762	3.4
425.62668	3.0
426.12982	0.7
435.14206	3.3
436.14185	0.6
436.63226	0.8
437.13712	0.5
455.10675	0.4
458.15863	3.0
469.20450	0.5
624.98340	0.4
641.31702	2.1
767.39233	0.5
811.42346	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	20.6
57.07087	2.4
59.03796	1.3
61.02920	3.2
65.03939	6.0
67.05508	81.6
69.03409	2.0
69.07071	19.5
71.04987	4.0
71.49814	2.0
77.03900	1.4
79.05495	59.3
79.20065	1.4
80.05807	1.5
81.03418	2.7
81.07059	73.1
83.04974	3.4
83.08636	8.4
85.02903	2.5
85.06531	5.9
86.87037	1.5
91.03942	2.8
91.05482	52.4
93.07050	69.2
95.04973	6.3
95.08613	57.1
97.02883	5.4
97.06549	3.8
97.10185	3.0
99.08127	2.4
105.04498	2.1
105.07034	41.2
107.08594	37.1
109.06504	2.5
109.10156	18.7
110.08560	1.4
111.08066	2.7
116.06287	1.8
117.07035	14.2
119.08582	32.7
121.10156	31.8
123.08068	3.7
123.11717	8.0
125.09621	1.4
127.03895	1.9
129.06992	4.1
131.08566	20.2
133.10139	24.6
135.11688	18.9
137.13268	1.6
141.06891	1.4
141.12730	1.4
143.08549	4.4
145.10146	15.8
147.11696	19.2
147.44670	1.7
149.09557	1.6
149.13280	10.8
151.11115	1.5
157.10139	6.2
159.11696	13.0
161.13257	9.3
163.11172	2.1
163.14856	2.8
169.10197	1.6
171.11667	5.1
173.13287	9.0
175.14836	6.3
177.16472	1.5
179.14276	1.6
185.13287	5.4
187.14795	7.4
189.16388	1.4
199.14772	2.8
201.16496	2.2
203.14256	1.4
205.15898	2.5
215.18207	1.3
219.17505	1.7
221.19135	1.9
231.21021	1.6
241.19591	9.2
243.20979	1.5
257.19067	2.4
259.20599	19.8
261.22186	7.4
277.21631	14.7
293.21152	2.1
315.23102	1.8
317.24789	2.3
333.24356	12.9
335.25827	100.0
336.26196	2.3
351.25330	32.4
416.50879	1.4
450.80136	1.4
529.38635	3.3
556.74487	1.4
593.45721	1.5
611.46674	29.8
612.46887	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	808.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66190	9.4
61.50835	8.2
67.05509	98.9
69.07052	34.7
79.05482	77.4
81.07054	92.1
83.08601	11.9
91.05489	79.6
93.07055	87.1
95.04980	13.8
95.08599	66.3
97.06498	10.2
105.07047	75.2
107.08581	44.8
109.10168	29.0
117.07042	24.3
119.08570	75.3
121.10143	43.9
123.11672	14.4
131.08575	38.5
133.10121	41.1
135.07994	11.9
135.11682	26.6
145.10118	22.6
147.11661	31.4
149.13251	17.9
157.10124	19.0
159.11638	21.7
161.13222	15.2
163.14760	11.1
171.11681	14.0
173.13258	22.9
175.14787	15.5
185.13080	10.4
241.19547	28.3
254.83188	9.5
259.20630	78.0
261.22046	12.3
333.24271	67.7
335.25735	100.0
501.52802	10.4
593.46124	13.4
600.29065	11.2
611.46478	40.5
823.69495	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	31.2
63.22879	3.0
65.03942	7.1
67.05515	64.0
69.03435	7.8
69.07079	19.9
71.04995	7.5
71.57716	4.8
79.05502	60.8
81.03424	85.1
81.07067	61.9
83.04987	8.4
83.08620	27.7
85.02911	6.3
85.06539	4.6
91.05488	75.4
93.07055	57.5
95.04977	31.0
95.08608	34.2
97.02908	4.3
97.06544	8.8
97.10160	13.7
99.08101	8.1
103.05482	4.2
105.07030	54.4
107.04932	13.5
107.08588	28.6
109.06532	16.1
109.10156	13.1
111.04477	4.2
111.08096	17.0
115.05434	6.6
117.07008	28.5
119.08585	56.9
121.06505	13.3
121.10150	24.2
123.08076	7.6
125.09621	10.0
126.12084	3.4
128.06223	9.8
129.07008	33.0
131.08577	52.1
133.06467	4.3
133.10127	30.9
135.08047	6.8
135.11679	11.6
137.09607	8.6
141.07001	9.6
142.07753	6.9
143.08553	23.5
145.06519	8.8
145.10106	38.6
147.08032	8.9
147.11726	23.1
149.09610	12.6
149.65028	3.9
155.08600	11.0
157.10191	26.9
159.08022	8.2
159.11674	25.3
161.09663	8.4
161.13252	9.2
163.11179	12.0
165.10603	3.9
167.08565	4.1
167.10936	3.5
169.10143	13.1
171.11674	11.0
173.09613	5.6
173.13269	12.4
175.11226	10.8
175.14902	7.2
175.82637	3.5
183.11769	10.7
185.13232	25.8
187.14885	5.6
189.11226	7.8
193.12216	12.7
195.11713	6.7
197.09679	4.2
197.13327	7.4
203.14392	7.2
209.13297	4.8
211.11176	3.6
219.17455	6.8
221.13278	5.6
225.12712	4.6
227.12794	14.6
233.15419	3.9
239.17953	7.6
242.08969	4.2
253.18082	5.2
257.19034	17.0
267.15930	57.5
269.04318	3.6
271.16678	4.9
275.20084	13.0
289.18030	5.0
297.07703	5.8
299.05161	5.0
315.23157	3.5
331.22607	5.3
347.22116	4.7
349.23822	13.0
379.26813	4.1
431.29330	6.6
449.30539	10.4
467.31421	12.4
469.29715	5.0
471.31152	9.8
485.32913	4.8
487.30405	20.6
489.32098	4.9
501.31989	7.1
519.33514	4.9
523.34265	17.1
541.35303	100.0
542.35663	4.2
559.36377	30.0
573.37799	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	803.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.6
67.05489	1.0
68.99795	0.6
69.07068	4.1
71.58550	0.5
71.58957	0.9
79.05501	1.2
81.03416	1.0
81.07053	3.3
90.99426	0.5
91.05500	3.7
93.03422	3.5
93.07056	1.5
95.01341	1.0
95.04982	0.8
95.08591	1.2
103.01849	0.7
103.05450	0.7
105.07030	1.2
107.04962	3.1
107.08598	1.0
109.06516	1.1
109.10162	1.8
111.04414	0.6
119.04904	1.0
121.02890	5.5
121.06505	5.3
121.10159	0.5
123.04414	1.3
123.08193	0.5
123.11708	1.1
129.07033	0.6
131.01273	6.0
131.04947	1.7
131.08546	0.8
133.10101	0.6
135.04401	1.4
135.08054	0.8
136.05193	0.7
137.02391	2.7
137.05998	4.4
139.07530	0.9
141.06956	0.7
143.08456	0.6
144.05763	0.5
145.06525	0.8
145.10144	0.7
147.04419	4.1
147.08026	0.8
148.05226	1.4
149.02351	68.5
149.05957	4.1
150.02727	0.8
151.03914	8.5
151.07544	6.5
155.08658	0.6
158.07350	0.7
161.02354	1.6
161.05965	3.3
163.03911	6.1
163.07559	1.6
164.04694	1.7
165.05548	1.0
165.06940	0.8
167.03412	100.0
167.07121	2.4
167.08569	1.4
168.03734	1.5
169.06546	1.0
171.08054	1.0
173.05954	0.7
173.35516	0.5
175.03938	1.2
175.07559	2.0
176.04709	1.5
177.05504	7.4
179.07056	6.6
179.39595	0.6
181.04721	0.5
181.06438	0.9
183.08081	0.6
185.05969	1.6
187.07631	0.9
189.05472	1.5
189.09137	1.1
191.07048	31.1
192.07820	21.5
192.09605	0.7
195.08018	1.2
197.05986	1.9
199.07555	1.2
201.09164	2.1
203.07036	27.1
205.08549	2.5
207.06531	4.7
207.08167	0.7
209.08116	5.2
211.07495	1.4
213.09163	1.7
215.06984	0.8
217.08591	3.0
223.07553	1.8
225.09131	0.9
227.07030	1.9
229.08524	3.2
231.13811	5.3
235.07632	1.0
237.09154	1.1
239.07060	0.7
241.08604	0.8
243.10149	4.3
247.07672	0.6
251.04385	1.0
251.07048	19.1
252.07526	0.8
253.08585	1.3
257.08148	1.2
261.09100	0.8
269.08109	28.9
270.08264	0.7
273.14871	38.4
274.15189	1.1
279.10178	0.8
281.08008	0.7
281.11646	0.7
283.09674	1.5
291.06537	0.8
291.10007	0.8
293.08133	1.4
297.11282	1.6
303.06512	0.7
303.10004	0.6
305.08191	1.1
306.08817	0.7
319.09796	1.4
321.11340	1.7
323.09225	0.6
323.12802	1.8
333.07483	0.7
333.11176	0.8
337.10651	0.7
337.14575	0.7
339.15845	1.9
347.09201	1.0
349.10739	2.9
351.12384	1.3
361.10519	1.3
367.15445	10.3
375.19690	3.9
379.11688	4.1
381.13541	1.3
393.13251	6.2
393.20569	18.8
394.20908	1.1
411.14423	15.2
467.14569	0.6
471.17773	1.0
499.17844	3.3
513.18799	2.0
782.94269	0.6
784.35150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
61.02929	6.2
67.05505	7.6
69.03430	5.1
69.07072	1.4
71.01340	0.8
71.04993	0.8
71.10735	0.4
71.11069	0.6
73.02916	5.2
79.05495	4.1
81.03408	2.4
81.07056	6.2
83.08630	0.7
85.02908	7.1
87.04487	0.5
91.03968	4.0
91.05492	3.1
93.07057	5.5
95.04987	0.4
95.08617	5.5
97.02895	6.0
97.10176	0.5
99.04464	1.1
101.02401	2.8
103.03918	0.6
105.07040	1.7
107.08616	2.9
109.02896	1.1
109.10144	2.4
115.03938	0.6
117.07064	0.7
119.08593	1.7
121.10143	2.4
123.11697	0.6
127.03915	1.8
131.08592	1.2
133.10139	1.3
135.11723	1.1
145.10179	0.6
147.11722	0.6
149.13329	0.4
150.07355	0.4
153.39383	0.4
159.11725	0.8
161.13272	0.6
164.09181	0.3
185.04268	1.2
187.14874	0.6
203.05347	0.6
243.08311	2.0
261.22253	0.7
277.64746	0.3
296.80078	0.4
335.25806	0.8
519.29333	15.1
520.29657	0.8
630.80029	0.4
761.69708	0.4
793.23541	0.4
797.51740	100.0
798.52045	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	796.369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88515	0.5
61.78755	0.5
67.05503	0.8
70.24062	0.5
71.56174	0.5
78.04742	0.7
79.05511	1.2
81.03425	7.7
81.07045	0.9
91.05478	4.9
95.01375	1.0
103.05417	0.6
105.04538	0.5
105.07033	1.7
106.04144	0.9
107.04948	0.8
109.06508	1.4
111.04441	0.6
117.03348	1.0
118.04160	1.6
119.04897	0.9
119.08561	0.6
121.02884	1.3
121.06517	12.6
129.07005	0.7
133.02924	0.8
134.03595	0.5
135.04402	1.2
145.02856	4.3
147.04343	0.7
147.08121	2.4
147.09105	0.5
148.05090	0.9
149.02328	1.4
149.05998	12.5
151.03947	0.9
151.07507	0.6
157.46130	0.5
161.02342	6.5
161.06003	2.4
163.03912	1.3
167.03375	1.0
175.03946	2.9
175.07500	1.6
177.05481	24.2
179.07089	0.8
181.08623	0.7
185.06012	2.6
187.03925	0.7
203.03397	7.1
203.07040	100.0
204.07397	2.0
209.08142	5.9
220.02205	0.6
226.51056	0.6
235.05978	1.2
249.08902	0.6
253.05043	0.9
255.10143	1.1
263.07175	0.5
267.10312	3.4
275.07077	0.6
277.08542	0.7
291.10089	1.2
301.08527	0.8
303.06598	1.4
304.07477	0.8
305.08228	1.1
309.11221	1.0
311.09161	1.4
319.09653	2.8
321.07666	0.7
323.12912	0.9
323.16327	3.8
333.07468	0.6
333.11072	1.2
346.08658	0.6
347.09244	4.3
348.09930	0.9
351.12372	4.2
361.10699	2.6
365.13763	0.8
379.11795	40.7
380.12137	1.5
393.13324	19.3
394.13632	1.0
411.14374	10.9
438.45895	0.5
509.55878	0.6
799.07776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	14.9
57.07073	9.4
61.02917	3.7
62.60511	3.5
65.03952	3.9
67.05507	99.4
69.07068	39.7
71.08631	5.3
71.55424	6.1
75.71859	3.4
78.74694	3.6
79.03396	3.5
79.05499	51.4
79.16531	3.3
81.07054	98.9
83.08620	21.8
85.02886	7.1
87.04446	7.1
91.05482	29.5
93.07043	60.0
95.08051	5.8
95.08613	83.0
97.06558	4.2
97.10175	11.4
105.07031	24.2
107.08594	35.9
109.02833	3.5
109.10167	35.8
111.11755	3.6
117.07027	6.9
119.08571	19.6
121.10148	22.0
123.11703	13.4
131.08560	19.1
133.10121	16.2
135.11700	24.1
137.13266	9.0
143.08562	4.3
145.10144	13.0
147.11694	12.1
149.13258	11.6
159.11703	9.8
161.13287	8.4
163.14772	4.6
173.13277	9.9
215.17900	4.2
216.39983	3.7
235.81348	3.9
243.21100	12.1
245.22803	3.6
259.20557	4.2
261.22211	25.2
317.24622	4.5
335.25769	83.1
337.27386	100.0
339.29056	5.2
449.84232	4.4
523.45349	5.3
597.48511	35.9
615.50012	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	789.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32923	0.2
65.90524	0.2
67.05507	0.5
69.07059	0.3
69.20647	1.7
69.21054	0.4
79.05490	0.4
81.07055	0.7
90.61530	0.2
91.05472	0.6
93.07033	0.5
95.08616	0.5
105.07046	0.6
109.10145	0.2
119.08578	0.3
157.49512	0.2
177.05473	0.3
203.07051	0.4
275.20105	0.3
290.87305	0.2
307.09430	26.5
308.09750	1.1
343.13388	0.3
348.12274	0.3
361.14157	6.6
362.14328	0.2
379.15198	100.0
380.15628	3.1
401.10034	1.0
403.08057	0.4
433.12659	4.6
479.88083	0.2
534.28711	0.2
622.56256	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05514	16.2
57.03443	9.2
57.07070	2.3
61.02922	2.4
65.03928	3.5
65.04227	0.8
67.05507	65.2
69.03426	1.0
69.07071	14.5
71.04986	2.3
71.05949	1.7
71.08633	1.0
79.05496	42.6
79.27628	1.0
81.03401	0.9
81.07059	59.5
83.04966	2.3
83.08620	6.8
85.02901	1.3
85.06545	2.3
91.05481	23.6
93.07048	42.5
94.12925	0.8
95.04990	4.5
95.08609	49.3
96.08910	0.9
97.02918	1.6
97.06522	2.6
97.10159	2.5
99.08083	1.4
103.05479	1.0
105.04511	1.6
105.06382	1.3
105.07036	18.2
107.08595	24.6
109.06522	1.3
109.10165	21.7
111.08107	1.9
113.09517	0.8
113.74493	0.8
117.07047	5.9
119.08588	16.9
121.10151	20.2
123.08068	1.5
123.11691	7.8
125.09681	0.9
129.07027	1.6
131.08572	11.8
133.10138	12.2
135.11699	14.6
137.13239	2.8
143.08572	2.4
145.10141	8.4
147.11705	10.3
149.13258	8.3
156.39125	0.8
157.10081	2.3
158.68034	0.9
159.11693	9.2
161.13263	8.1
163.11186	0.9
163.14813	3.6
171.11696	1.8
173.13252	7.9
175.14848	3.3
177.16295	1.5
185.13287	1.8
187.14861	3.8
195.97269	0.8
199.14809	1.6
201.16383	1.9
211.14873	1.1
213.16516	1.2
225.16554	0.9
231.21083	1.0
241.19531	4.1
243.21182	5.4
259.20621	7.9
261.22156	20.2
263.23709	1.2
281.73761	0.9
287.23419	1.0
317.24704	3.9
333.24240	5.9
335.25809	100.0
336.26099	2.9
337.27353	10.8
425.32925	0.9
478.56903	1.0
521.43622	2.0
539.44226	1.4
595.47089	13.2
613.48236	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	789.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
59.04993	7.6
62.66092	2.1
67.05503	7.1
71.58642	3.1
75.34429	2.4
79.05497	4.5
79.09502	2.0
81.03407	2.7
81.07056	9.1
88.55157	2.1
91.04462	2.2
91.05475	7.9
93.07047	7.5
95.04973	2.7
95.08638	4.9
105.07032	6.3
107.08601	6.0
119.08578	3.7
121.06522	2.4
121.10109	4.3
131.08557	4.2
133.10159	5.0
145.10156	2.7
176.77638	2.1
177.05479	4.6
184.07159	2.4
185.96277	2.5
203.07069	9.3
243.10158	2.8
279.29575	2.8
349.23749	2.5
361.11716	10.6
379.12878	12.7
449.10007	100.0
467.10922	9.5
493.41055	2.8
609.44849	3.5
789.39203	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	789.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27520	0.2
69.07046	0.2
75.20582	0.2
80.72288	0.2
95.47987	0.2
101.37218	0.2
254.25410	0.2
272.81033	0.2
307.09607	0.2
361.14105	0.7
379.15161	100.0
380.15475	3.7
433.12479	1.7
759.26501	0.4
789.25989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42798	0.2
67.05502	0.4
69.77457	0.2
71.58384	0.3
79.05478	0.6
81.07052	0.6
91.05470	0.9
93.07051	0.8
95.08620	0.6
105.07027	0.6
107.08554	0.4
110.40251	0.2
113.30209	0.2
119.08580	0.6
120.29301	0.2
121.06487	0.2
131.08585	0.3
139.42421	0.3
149.02330	0.3
177.05486	0.4
190.32167	0.3
203.07060	0.8
229.65079	0.3
243.10010	0.4
251.06915	0.3
269.08151	0.4
289.08563	0.4
307.09427	25.1
308.09903	0.6
311.54169	0.3
334.54572	0.3
343.13004	0.5
348.11945	0.3
361.14160	5.6
379.15189	100.0
380.15549	3.1
401.09888	0.9
403.07977	0.3
433.12604	4.6
476.25491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82359	0.3
67.05511	0.4
71.58242	0.3
71.83462	0.3
77.90882	0.3
79.05503	0.5
81.07061	0.5
91.05483	0.8
93.07046	0.5
95.05021	0.4
95.08607	0.4
100.39311	0.3
105.07037	0.6
107.08628	0.4
119.08601	0.6
127.32761	0.3
145.10162	0.3
149.02301	0.5
151.07600	0.3
159.80420	0.3
167.03375	0.6
203.06985	0.9
221.80400	0.3
289.14456	0.6
290.14432	0.5
307.09406	26.8
308.09827	1.0
321.14932	0.4
361.14166	5.8
362.14410	0.3
379.15186	100.0
380.15631	3.1
401.09869	0.8
403.07990	0.5
433.12552	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	789.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
65.03929	0.8
69.07057	0.8
69.21088	5.5
79.05491	2.3
81.03383	1.1
81.07042	1.9
88.22890	0.5
89.03910	0.6
91.05479	3.0
93.07050	1.2
95.01331	8.8
95.20167	0.5
99.04495	0.8
104.48461	0.6
105.03404	1.1
105.07025	1.6
107.04970	1.1
107.08611	0.6
107.09337	0.5
109.06512	1.8
115.05426	1.0
117.06982	0.9
119.08564	1.3
121.02876	1.1
123.00830	0.8
128.06212	1.4
129.07013	2.6
131.05013	0.6
131.08522	0.7
132.05699	0.6
133.02844	1.8
133.06458	0.9
135.04413	1.3
141.06979	1.4
143.08624	0.7
144.05646	0.7
145.06491	1.3
147.04413	1.3
147.08061	4.1
149.02319	3.0
151.03917	1.9
152.06142	0.7
153.06993	0.7
155.04918	0.8
157.06477	1.4
157.10172	0.7
158.07323	0.6
159.04437	1.0
159.08069	0.7
160.05222	0.9
161.02336	10.3
161.05972	5.0
161.09709	0.7
163.03909	2.4
165.07028	1.1
167.03452	2.8
169.06442	1.2
171.04390	0.6
173.05975	1.9
173.09569	0.6
175.03940	2.4
175.07535	3.5
177.05405	0.7
179.07118	0.7
179.08591	0.8
181.06480	1.0
182.07286	1.1
183.04482	1.2
183.08029	1.0
185.06009	6.2
185.09572	0.6
187.03941	5.4
187.07594	0.9
188.04657	0.6
189.05424	2.2
189.09146	1.3
191.06961	1.0
195.08101	2.6
197.06070	0.9
197.09618	0.9
198.06761	2.2
199.07570	2.2
201.05469	1.7
201.09106	1.3
203.07040	100.0
204.07544	2.4
205.04813	0.9
205.06569	0.9
205.08424	0.8
207.08058	0.7
208.05244	0.6
209.09720	0.6
210.06819	1.0
211.07544	2.2
213.05562	3.1
213.09106	4.0
214.06306	1.2
215.03517	0.7
215.07042	0.8
219.10149	1.4
221.06093	1.2
223.03912	0.7
223.07518	2.6
225.05467	1.3
225.09088	2.0
226.06274	1.6
227.07051	7.7
228.07780	2.9
229.05020	1.5
229.08557	5.0
231.06532	1.6
234.06830	0.9
235.07541	2.8
236.08308	1.5
237.05484	1.4
237.09134	1.2
238.06328	1.1
239.07062	1.7
239.10689	0.6
240.04282	0.8
241.05005	2.9
241.08611	6.2
242.05791	0.8
242.09297	1.7
243.06499	1.1
243.10185	13.8
245.08144	0.8
247.07503	0.7
247.09657	3.2
248.08363	0.8
249.05406	1.1
249.09241	1.2
250.06236	1.4
251.07098	3.5
251.10689	0.6
252.04202	0.7
252.07719	1.9
253.04974	1.3
253.08594	2.5
254.05756	0.8
255.06502	4.5
255.10208	1.3
256.07349	2.9
257.08020	2.8
258.08835	1.1
259.09738	4.7
261.11218	0.8
262.06296	1.0
263.07013	2.3
264.07745	3.0
265.05115	1.0
265.08600	4.4
266.09369	1.1
267.06619	2.2
267.10199	6.5
268.07413	0.7
269.04520	1.5
269.08084	5.3
269.11139	1.1
270.08713	0.7
271.09662	16.7
272.10266	2.2
273.11237	2.2
275.06964	0.8
277.04974	1.7
277.08569	0.9
278.05676	0.6
278.09384	1.4
279.06512	2.0
279.10162	2.2
280.07382	1.5
280.10931	1.8
281.05014	1.0
281.08096	5.7
281.11133	0.8
282.05362	0.6
282.08755	1.0
283.06055	2.3
283.09512	1.1
284.06943	0.9
285.07562	3.9
285.11212	1.8
289.10791	1.1
290.09259	0.7
291.06454	2.0
292.07266	3.2
292.19153	0.7
293.08029	3.9
294.08905	1.2
295.06339	1.1
295.09579	6.9
296.10278	1.0
297.07712	1.4
297.11237	5.0
299.09167	30.8
300.09769	2.1
303.06351	0.6
305.04379	1.8
305.08044	2.7
306.08792	1.2
307.06216	1.1
307.09552	9.9
308.06931	1.0
308.10431	2.0
309.07684	0.8
309.11227	1.9
311.05624	1.1
311.09271	0.8
311.12759	2.2
313.07037	0.9
313.10812	0.7
319.06067	1.4
320.06787	1.9
321.07562	2.6
321.11206	2.2
323.09137	2.4
324.09650	0.9
325.10773	3.2
329.07898	0.7
333.07483	1.7
335.09155	5.4
336.09894	0.7
337.11078	0.7
339.12354	7.3
340.12723	0.8
351.08826	1.1
353.10233	2.9
357.13330	1.2
365.10376	1.1
367.09607	0.9
399.08487	0.9
415.11755	0.7
421.11005	0.7
427.11835	0.9
433.10501	1.3
441.13361	2.1
449.13800	0.7
451.11591	1.1
455.14905	1.9
457.12131	0.9
459.12360	0.6
463.17273	0.7
465.13232	1.6
466.13809	0.7
467.15161	0.9
469.11945	0.7
473.15796	1.5
474.14795	0.7
475.17542	1.2
477.13409	0.8
478.14249	0.9
479.14996	3.0
480.15622	1.0
481.16385	1.7
483.14099	3.8
485.15616	0.8
487.13852	1.9
491.16022	3.6
493.12466	1.2
495.18335	1.0
497.16040	4.1
499.17203	1.1
501.15405	2.0
507.14365	2.3
509.15952	5.2
510.16733	2.2
511.17908	6.2
513.19012	0.9
519.16473	1.4
523.17706	11.2
525.15631	0.9
527.17041	17.3
528.17444	1.1
529.18634	0.9
535.13995	1.0
537.15125	1.2
541.18665	15.3
542.19055	0.9
546.75336	0.6
553.14832	1.7
555.16504	12.4
556.17249	0.9
559.19659	6.9
567.16345	2.1
568.16846	0.7
581.15375	0.7
585.17969	0.7
697.20227	0.6
699.22186	0.9
711.22101	1.9
725.23676	0.7
729.23389	5.4
730.23193	0.7
743.25018	4.2
757.22693	2.5
761.25934	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	789.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
65.03936	0.5
67.05490	1.4
67.56490	0.6
71.58342	1.1
79.05474	1.5
81.03400	1.2
81.07050	2.3
85.02902	0.8
91.05483	3.9
93.07043	1.0
95.01324	8.3
105.03377	1.0
105.07020	1.5
107.04952	1.4
107.08612	1.1
109.06520	2.1
115.05462	1.1
117.07033	0.9
119.08584	1.9
120.86082	0.5
121.02866	0.7
123.00771	0.7
128.06212	1.5
129.06999	2.8
131.04927	1.0
131.08606	1.0
133.02846	1.9
133.06532	0.6
135.04430	1.5
144.05727	0.9
145.06490	2.1
147.04414	1.5
147.08052	4.7
149.02367	3.0
151.03873	1.2
153.01729	0.7
154.07816	0.5
157.06477	1.8
158.07254	1.1
159.04434	1.1
160.05196	1.5
161.02354	10.8
161.06006	5.5
163.03935	1.5
165.07085	0.6
167.03403	1.8
169.06535	1.2
169.07896	0.6
169.10217	0.7
171.08081	1.0
172.08955	0.5
173.06001	1.8
173.09637	0.6
174.06659	0.5
175.03938	1.8
175.07555	2.8
179.08585	0.8
181.06490	1.2
183.04497	1.0
183.08095	1.1
184.05194	1.0
185.04376	0.8
185.05966	6.7
186.06874	0.7
187.03955	4.0
187.07587	1.6
188.04683	0.9
189.05463	1.6
189.09126	1.9
190.78064	0.5
191.07059	0.6
195.08038	2.1
196.05191	0.6
197.05994	1.6
198.06839	1.5
199.03935	0.8
199.07541	2.1
201.05493	2.0
201.09171	1.5
203.07045	100.0
204.07597	2.2
205.04782	0.7
205.06570	0.8
205.08514	0.8
206.43845	0.5
207.08328	0.7
209.05962	0.7
210.06822	0.9
211.07545	2.0
212.08337	0.8
213.05507	3.0
213.09065	3.1
214.06229	1.8
215.07074	0.9
215.10692	0.8
217.04947	0.7
219.10165	1.8
221.06010	1.7
221.08110	1.0
223.07549	2.0
224.04677	0.7
225.05453	2.1
225.09183	1.5
226.06314	1.9
227.03574	0.6
227.07063	7.5
228.07802	2.8
229.04964	1.3
229.08606	4.8
231.06438	1.4
231.10170	0.8
234.06793	0.8
235.07599	3.0
236.08318	1.7
237.05545	0.8
237.09184	1.7
238.06216	1.2
239.07082	1.9
239.10646	0.8
240.07838	0.6
241.04974	3.2
241.08597	6.8
242.05801	1.5
242.09412	1.2
243.06561	1.4
243.10181	12.9
244.07368	0.9
245.07919	0.6
247.07515	0.9
247.09734	3.1
248.08374	0.8
249.05344	1.2
250.06255	1.3
251.06981	2.2
252.07867	2.2
253.05003	1.6
253.08498	2.5
254.05772	0.6
255.06512	4.0
255.10147	0.9
256.07214	3.2
257.08127	5.0
258.08688	1.3
259.09717	4.8
261.11316	1.0
263.07056	2.6
264.07809	2.7
265.05124	1.2
265.08591	5.0
266.05789	1.0
266.09369	1.3
267.06601	2.8
267.10135	5.5
267.15988	1.0
268.03629	1.0
269.04727	1.3
269.08124	4.8
269.10773	0.6
269.11642	0.6
271.09680	19.6
272.10397	2.3
273.11279	1.9
275.06897	1.3
277.04971	2.3
277.08212	0.7
278.05750	0.9
278.09219	1.0
279.06595	2.8
279.10132	3.3
280.07263	1.7
280.10721	1.2
281.08051	5.7
282.05331	0.9
282.08905	1.3
283.06055	2.4
283.09729	1.0
284.06750	1.8
285.07568	3.7
285.11111	1.5
289.10583	0.8
290.05875	0.7
290.09311	0.8
291.06564	2.2
292.07413	1.6
293.07986	3.5
294.08875	1.6
295.09662	6.2
296.10156	0.7
297.07559	2.1
297.11212	5.1
299.09177	31.6
300.09769	1.7
305.04315	1.7
305.08160	2.2
306.08847	1.3
307.06125	1.3
307.09631	11.3
308.06970	0.9
308.10257	3.0
309.07693	1.2
309.11261	1.6
311.05573	0.8
311.09460	0.6
311.12787	2.8
319.06177	1.3
320.06860	1.6
321.07587	2.2
321.11240	2.3
322.08560	1.2
323.09326	2.7
325.07224	0.7
325.10840	3.3
327.08609	1.1
333.07574	1.6
335.09195	5.5
336.10098	0.9
337.10849	1.0
339.12311	6.8
351.08707	1.1
353.10303	1.9
355.09500	0.7
365.10315	1.6
381.07642	0.7
395.09271	0.8
400.09091	0.6
405.06567	0.7
407.09476	0.8
413.09760	0.8
415.11819	0.7
423.12152	0.9
427.11768	1.2
437.14395	0.8
441.13333	1.0
451.11780	1.1
455.14859	1.5
461.15942	0.8
463.11438	1.2
465.13351	2.1
466.13904	1.2
467.14868	1.1
469.12646	0.8
473.15811	1.5
475.17496	1.0
477.13672	0.9
479.14630	2.4
480.15851	1.3
481.16916	1.5
483.14313	4.0
485.16080	1.0
487.13919	2.0
491.16574	3.6
493.12775	1.1
495.18173	1.7
497.15967	4.8
499.17783	0.9
501.15451	1.9
507.14236	1.2
509.16077	6.2
510.16666	2.1
511.17584	6.1
519.16394	1.5
523.17657	12.8
525.15381	0.8
527.17072	17.4
528.17053	0.9
529.18512	0.7
535.13318	1.4
537.15149	1.5
541.18616	13.8
542.19043	1.0
553.14868	1.7
555.16528	12.1
559.19751	7.5
560.20020	0.6
567.16302	2.1
699.21393	0.8
711.21820	1.8
725.24036	0.7
729.23212	4.7
743.24762	3.7
757.22302	1.5
761.25922	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	789.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
56.23516	0.4
65.03928	0.6
67.05484	0.9
68.99776	0.4
69.07050	0.4
69.94677	0.3
71.58490	0.6
77.03896	0.3
77.41148	0.3
78.53712	0.3
79.05508	1.6
81.03403	0.5
81.07055	1.7
83.01321	0.6
85.02898	1.3
89.03880	0.7
91.04958	0.5
91.05490	5.6
92.99840	0.3
93.07056	2.0
95.04953	1.0
95.08596	0.6
105.03410	0.5
105.07055	1.6
106.04171	1.4
107.04944	0.6
107.08576	0.8
109.06504	0.8
109.10155	0.5
117.03400	0.3
119.04963	1.7
119.08592	1.0
121.02888	3.1
121.05643	0.6
121.06515	10.2
121.10150	0.3
131.08559	0.7
133.02826	0.4
133.10139	0.5
134.03658	1.6
145.02840	0.9
145.10202	0.4
147.04414	5.1
147.08046	1.1
148.05220	3.3
149.02405	1.5
149.05991	9.6
151.03975	0.5
151.07538	0.5
155.03252	0.4
155.08434	0.4
160.01566	1.3
160.05200	0.4
161.02347	3.5
161.05988	1.4
162.03076	0.4
163.03923	0.8
167.03397	1.4
169.06429	0.3
175.03929	2.2
175.07567	0.8
176.04552	0.3
177.05479	57.6
178.05827	1.2
179.07045	0.9
185.05959	1.9
188.00980	0.7
203.03426	15.7
203.07036	58.1
204.04124	1.5
204.07387	1.3
211.07571	0.7
213.09258	0.4
227.06970	0.4
237.05785	0.4
243.10216	0.4
244.86519	0.3
251.07040	0.8
257.08224	0.4
267.10147	0.5
276.07846	0.6
279.10242	0.5
281.07819	0.3
291.10141	0.7
293.08121	0.8
303.06464	0.6
304.07321	0.4
305.08170	0.4
307.09753	0.4
318.08984	0.6
319.09558	1.7
321.07541	1.2
323.12860	0.8
333.11227	1.4
337.05432	0.3
347.09131	0.7
349.10956	0.7
351.12247	4.5
361.10516	0.5
379.11755	100.0
380.12051	2.8
433.12912	0.4
433.18842	0.3
507.12918	0.3
672.36871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
55.05513	0.6
61.02929	0.5
63.02392	0.3
67.05512	0.5
68.99801	0.4
69.03438	1.8
69.07067	0.6
69.91995	1.3
70.06623	0.3
71.04998	0.5
72.10989	0.2
73.02927	0.3
78.04743	0.4
79.05493	0.7
80.10464	0.3
81.03423	1.5
81.07062	0.8
83.04998	2.0
83.08628	0.3
84.08128	0.3
85.02909	2.4
85.06565	0.3
87.00838	0.4
88.97416	0.3
89.03918	4.3
91.05480	1.1
93.07050	0.8
95.04988	0.7
95.08601	0.8
97.02921	1.1
99.04436	0.6
103.05479	0.9
105.07041	0.8
106.04120	0.6
107.08601	0.4
109.02879	0.9
110.59447	0.3
111.04456	2.5
115.05498	0.4
117.03391	14.9
119.08582	0.4
121.06544	0.6
121.10144	0.6
124.05273	0.4
127.03937	1.5
129.05463	0.3
131.04938	1.0
131.08652	0.3
133.02888	0.3
133.06474	0.3
133.10152	0.4
134.03638	1.2
135.04417	1.2
137.02336	0.8
137.05995	5.9
145.02856	51.2
145.10069	0.4
146.03197	0.5
147.04402	0.6
148.05144	0.3
149.05980	6.5
153.01852	1.4
155.04892	0.6
159.04431	0.4
161.05957	1.3
163.03928	1.1
165.01836	0.4
167.07082	1.3
170.03697	0.6
171.04372	0.4
174.06810	0.5
175.03944	0.3
176.04759	0.5
177.05479	100.0
178.05885	1.4
181.04942	0.7
183.02962	0.4
185.05981	0.6
186.05484	1.0
187.03954	0.5
187.07530	0.4
189.05521	0.4
191.07079	1.1
192.07816	0.7
193.08621	0.9
198.03125	0.4
199.03836	0.3
201.05522	0.5
202.06366	0.3
207.06567	0.5
209.08022	0.6
210.08876	0.6
212.04582	0.3
213.05450	1.1
215.03502	0.5
217.08649	0.8
219.06517	0.5
227.07027	0.4
229.04982	1.2
230.05826	1.3
231.06560	5.3
233.08046	0.4
241.04929	0.8
243.02859	0.3
245.08119	0.4
247.06038	2.3
257.04443	0.8
258.05249	0.8
263.09335	0.3
269.04419	1.1
270.05075	0.3
271.06000	0.8
273.07602	0.9
284.06650	0.5
285.04034	0.5
285.07318	0.4
286.04739	1.8
287.05341	1.0
287.09058	1.0
297.03876	0.4
301.07098	10.3
303.05014	15.9
304.05347	0.4
305.10217	28.5
305.24823	0.3
306.10464	0.4
310.05243	0.3
313.06931	0.5
316.05780	0.6
323.11288	8.8
323.25635	0.4
327.08713	0.4
329.06586	14.3
330.07104	0.7
331.08160	2.2
521.14526	2.4
539.15527	17.4
540.15540	0.6
625.11127	0.5
736.37714	0.6
787.20258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.05517	0.5
57.03455	0.7
58.09407	0.3
61.02961	0.5
62.01619	0.4
63.02397	0.5
68.99777	0.7
69.03428	2.2
69.07073	0.7
70.91879	0.4
70.92244	1.0
71.05001	0.5
72.08157	0.4
73.02930	0.5
78.04713	0.4
79.05500	0.5
81.03419	2.0
81.07066	0.8
83.04980	2.0
84.23398	0.3
85.02911	3.5
87.00857	0.8
87.31285	0.3
89.03922	4.8
91.05498	1.5
93.07049	1.0
95.04990	0.7
95.08630	0.9
97.02911	0.9
99.04476	0.7
100.39777	0.3
103.05480	0.9
105.07043	1.4
107.04924	0.5
107.08623	0.7
109.02878	1.8
109.10203	0.4
111.04443	2.3
115.05457	0.6
117.03385	15.9
117.07000	0.4
118.99496	0.4
119.04944	0.8
119.08624	0.5
121.02883	0.5
121.06498	0.5
121.10144	0.7
123.04449	0.6
127.03926	1.5
129.05441	0.4
130.04173	0.4
131.04953	1.5
133.02805	0.3
133.06508	0.5
134.03665	2.0
135.04454	0.9
135.11743	0.5
137.02405	0.9
137.05992	6.3
143.04993	0.4
145.02855	50.8
146.03224	0.4
147.04417	1.0
148.05113	0.4
149.05984	5.1
151.03867	0.4
153.01855	1.9
155.04939	0.4
159.04443	0.6
160.05193	0.3
161.06018	2.1
163.03922	1.0
166.68790	0.3
167.07036	2.1
170.03638	0.4
171.04419	0.5
174.06631	0.4
175.03957	0.7
177.05479	100.0
178.05850	1.3
181.04913	1.0
182.02107	0.3
185.05983	1.1
186.05515	0.8
187.03918	0.7
189.05557	0.8
191.07088	1.6
192.07816	0.7
193.08577	1.7
198.03096	0.8
201.05492	0.7
202.06297	1.2
207.06696	0.8
209.08093	1.1
210.08897	0.8
212.04694	0.7
213.05525	1.5
215.03381	0.9
217.08629	1.3
219.06622	0.4
229.04921	0.8
230.05727	2.2
231.06543	4.5
233.08040	0.4
241.04996	1.1
243.02808	0.5
243.06506	0.5
247.06059	2.8
257.04294	0.7
258.05197	2.0
259.09848	0.5
263.09262	0.4
269.04431	1.0
271.02588	0.5
271.05939	1.0
273.07626	2.0
284.06784	1.0
285.04080	0.4
286.04758	3.5
287.05490	1.3
287.09189	1.5
297.04089	0.6
301.07080	17.6
302.07358	0.7
303.05008	15.5
305.10217	27.0
306.10663	0.7
312.06174	0.5
313.07159	0.6
314.04263	0.7
316.05743	0.7
323.11298	9.0
323.25848	0.5
327.08682	0.4
328.28705	0.4
329.06561	23.0
330.07123	1.3
331.08124	4.2
509.14200	0.7
521.14630	4.6
539.15521	30.1
540.16193	1.6
701.20911	0.5
737.39044	0.6
787.19965	1.4
815.53528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	14.7
57.03444	9.3
57.07073	3.4
59.04992	2.1
67.05511	15.5
69.03426	7.3
69.07069	11.1
69.64774	10.3
71.01353	6.3
71.04997	25.4
73.02920	7.5
75.04479	6.3
79.05495	7.8
81.03414	2.8
81.07067	31.3
83.01334	2.2
83.04990	53.2
83.08611	6.3
85.02913	100.0
85.06524	2.0
87.04452	2.4
91.05493	9.1
93.07055	25.4
95.01335	27.1
95.04964	3.9
95.08617	61.3
97.02896	8.8
97.06538	2.5
97.10165	3.3
99.00810	4.8
101.02422	1.9
103.03944	3.5
105.04502	1.8
105.07040	22.9
107.08604	38.0
109.02887	3.7
109.10172	43.0
111.04456	51.9
111.08083	10.9
113.02376	5.0
113.95124	1.6
117.06969	2.3
119.08591	33.0
121.10159	30.6
123.00781	1.6
123.11713	17.4
125.09636	3.3
129.05490	26.5
131.03392	2.4
131.08572	8.5
133.10143	27.7
135.11700	24.7
137.13249	2.9
139.11188	7.6
141.01845	76.1
143.08527	2.2
144.09462	1.6
145.10135	15.3
147.06546	12.2
147.11707	20.4
149.13277	18.0
151.11217	2.7
151.14857	1.5
153.05460	1.6
153.12747	2.4
157.05008	2.0
157.10130	3.2
159.02873	17.6
159.11708	15.9
161.13278	20.8
163.14844	21.0
165.01834	2.7
165.12723	3.3
171.06541	2.6
171.11752	2.8
173.13263	10.0
175.14871	16.4
177.03987	3.1
177.12703	2.0
177.16431	16.4
187.14825	9.7
189.16412	18.4
191.14391	2.2
191.17947	7.5
193.15872	5.6
195.17476	6.1
199.14819	3.6
201.03934	2.7
201.16422	13.9
203.17969	30.3
205.15874	5.3
205.19524	1.9
207.17398	9.6
213.16386	2.5
215.17952	15.8
217.19514	15.9
219.17429	10.2
221.19061	8.3
227.17935	5.2
229.19521	17.7
230.08601	1.8
231.21033	2.1
233.18939	9.1
235.20544	2.0
241.07170	1.5
241.19540	3.6
243.21066	4.2
245.19032	6.1
247.20615	12.8
253.19398	1.8
255.21191	2.0
257.22702	3.4
259.20465	2.1
261.22235	3.2
269.06573	4.2
269.22702	4.2
271.24286	1.9
287.07681	7.2
295.24036	2.1
305.08728	23.3
323.09802	4.7
329.28333	2.7
342.67993	1.7
365.31985	3.3
383.33200	8.4
405.35187	14.3
411.36243	3.1
423.36243	74.2
424.36331	4.2
441.37329	68.0
442.37686	2.5
447.24185	1.6
551.40546	1.9
572.83173	1.6
581.38391	4.4
599.39850	10.1
781.40411	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	781.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
55.41447	0.4
57.03428	1.9
61.02929	6.0
62.40777	0.4
65.03954	0.5
67.05508	8.8
69.03441	2.1
69.07067	0.8
69.76652	1.8
69.77070	0.9
71.01360	0.5
71.05006	0.8
73.02924	3.5
79.05503	2.5
79.05897	0.5
81.03426	1.6
81.07068	3.1
83.08638	0.8
85.02904	5.2
91.03966	3.0
91.05468	3.2
93.07059	3.1
94.59909	0.5
95.04977	0.7
95.08607	2.6
97.02894	4.5
99.04474	0.6
101.02386	2.0
103.03977	0.9
105.07034	1.1
107.08604	2.1
109.02898	0.8
109.10157	7.8
117.07054	0.5
119.08593	1.0
121.10151	0.8
127.03925	1.4
131.08569	0.7
133.10173	0.7
137.06056	0.8
145.05049	0.6
151.03920	0.8
154.80876	0.4
173.11757	2.2
185.04228	0.8
186.91811	0.4
195.09996	0.9
205.04865	0.6
229.14377	1.3
243.08495	1.3
267.10236	1.6
269.08044	0.5
275.15878	0.4
313.10703	4.9
319.93243	0.4
335.25815	0.5
357.09763	1.7
389.21179	0.5
403.88376	0.5
413.17825	12.1
413.23053	0.7
414.18198	0.7
444.15662	0.4
519.29291	5.6
691.40283	100.0
692.40662	6.8
735.42560	0.9
781.42639	8.0
807.97748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
57.03431	1.4
59.04983	0.7
59.12790	0.3
61.02929	6.0
67.05508	4.9
68.52280	0.3
69.03432	3.6
69.07080	1.8
69.26263	3.8
71.01350	0.4
71.04991	1.0
71.55448	0.3
73.02914	4.1
77.91826	0.4
79.05497	4.2
81.03434	3.8
81.07055	4.6
83.08631	0.6
85.02908	5.7
91.03947	3.9
91.05495	2.8
93.07044	4.5
95.04999	0.8
95.08620	4.3
97.02884	5.0
97.06546	0.8
99.04493	0.6
101.02396	1.7
101.33498	0.4
102.23086	0.4
103.03869	0.4
105.07017	1.9
107.08572	2.0
109.02847	0.5
109.10155	0.9
119.08586	1.7
121.10163	2.3
123.11706	0.5
127.03947	1.2
129.06978	0.5
131.08615	1.4
133.10178	1.1
135.11699	0.6
145.05045	0.5
145.10147	0.6
147.11696	1.3
149.09668	0.9
157.10147	0.7
161.13289	0.4
173.13252	0.4
175.11171	0.4
185.04282	0.5
193.12219	0.9
203.05418	0.4
206.60158	0.4
237.91051	0.4
243.08347	2.5
264.66479	0.4
283.15158	5.0
335.25922	0.6
339.17957	0.5
501.23038	7.1
519.29291	8.3
520.29248	0.5
610.54315	0.4
779.45508	100.0
780.46033	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	776.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05951	1.0
55.01877	3.0
55.05515	43.2
55.05785	2.4
57.03183	1.5
57.03442	18.8
57.07076	2.6
59.05004	3.6
61.02925	5.8
65.03947	4.8
67.05511	100.0
69.03437	3.1
69.07072	17.6
71.01389	1.3
71.05005	3.7
71.55579	1.1
73.02906	1.4
79.05502	53.0
81.03425	7.1
81.07064	62.3
83.04993	6.2
83.08620	17.6
85.02913	16.8
85.06553	3.9
87.04467	7.3
91.03955	1.2
91.05489	28.0
93.07054	40.9
95.04978	7.4
95.08615	41.5
95.10306	1.1
97.02893	1.6
97.06540	4.1
97.10178	20.7
99.08044	1.3
103.03947	1.6
105.04504	1.7
105.07042	17.8
107.04955	2.5
107.08611	33.1
109.06545	2.1
109.10167	54.6
109.10921	2.7
111.04499	1.4
111.08110	2.9
117.07030	8.4
119.08597	15.1
121.06554	2.1
121.10158	21.5
123.08065	2.8
123.11726	6.0
125.09645	17.5
129.07025	2.8
131.08583	11.1
133.10158	9.0
135.08031	1.6
135.11720	14.2
137.09624	3.8
139.11177	2.3
143.08617	1.4
143.10672	3.4
145.10118	9.3
147.08041	1.5
147.11720	5.5
149.09647	1.7
149.13232	6.0
155.08578	1.5
155.10725	3.6
157.10191	2.8
159.11729	4.7
161.13257	5.7
163.11195	3.7
163.14836	2.6
168.91168	1.3
171.11710	2.5
173.09596	1.4
173.11761	14.0
173.13280	5.0
175.11171	1.4
175.14914	1.6
185.37047	1.3
187.14825	1.6
189.11238	1.4
191.10721	1.8
193.12206	2.7
199.13298	10.1
201.16354	1.2
203.07043	1.3
209.11681	2.8
211.13179	1.4
217.14328	1.9
227.12794	4.5
229.14360	46.8
243.21138	4.3
245.13812	2.4
259.20721	1.6
261.22153	13.2
267.15790	2.9
283.15433	1.7
301.16495	13.6
317.24832	2.1
327.23016	1.5
335.25842	75.5
336.26105	3.8
363.25275	2.2
477.35754	8.6
488.26093	1.2
489.35950	14.5
543.36737	4.3
557.35529	1.2
561.37946	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	775.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03439	0.7
57.20683	0.5
57.81908	0.5
60.48315	0.5
60.88408	0.4
66.41734	0.4
67.05501	0.8
70.46362	1.0
70.46692	1.1
79.05482	1.9
81.03410	0.9
81.07053	2.2
91.05468	2.3
93.46741	0.6
95.01332	3.0
105.03386	1.4
105.07032	0.8
107.04918	0.6
109.02874	0.6
109.06513	1.4
115.05459	1.7
117.07040	0.7
119.08595	1.8
121.02908	0.8
121.06519	0.7
123.00832	0.6
128.06244	1.5
129.07030	2.8
131.05009	0.7
131.08528	0.8
133.02873	1.6
133.06534	0.6
135.04434	1.6
141.06996	1.1
144.05672	0.5
145.06499	1.5
147.04413	2.0
147.08081	4.9
149.02357	3.5
151.03906	2.0
153.06995	0.7
155.04892	1.1
157.06496	1.6
158.07283	0.6
159.04425	1.3
160.05185	1.7
161.02357	11.3
161.06001	5.4
163.03954	2.5
165.07051	0.8
167.03394	2.7
167.08534	0.7
169.06480	1.0
171.04373	0.6
171.08139	0.6
173.05928	1.8
174.06709	0.6
175.03915	2.4
175.07562	2.6
177.05447	1.1
179.08475	1.2
182.07249	0.8
183.04468	1.4
184.05190	0.7
185.05977	6.6
186.06677	0.6
187.03932	4.6
187.07555	1.4
188.04555	0.8
189.05458	1.4
189.09166	1.6
195.08051	2.1
197.06006	1.5
197.09656	1.2
198.06810	0.8
199.03912	0.8
199.07550	1.6
201.05501	1.9
201.09035	1.2
203.07043	100.0
204.07425	2.2
205.04868	1.3
205.06662	0.9
205.08569	1.0
207.08040	0.7
210.03188	0.6
211.07500	1.7
212.04700	0.5
213.05438	2.0
213.09166	2.8
214.06224	2.2
215.07043	2.0
215.10559	0.8
216.04192	0.6
217.04944	1.8
217.08585	1.1
221.06055	1.0
223.07578	2.6
224.72699	0.6
225.05486	1.9
225.09126	2.2
226.06168	1.3
227.03421	0.9
227.07022	2.9
227.10587	0.7
228.07805	1.5
229.04961	1.3
229.08562	6.0
230.05690	1.0
231.06621	0.7
233.06044	1.1
233.08142	1.0
235.07623	1.1
237.05577	1.1
237.09120	1.6
239.07059	1.4
241.04884	1.6
241.08607	5.6
242.05756	5.0
243.06496	1.8
243.07814	0.6
243.10210	9.4
245.04059	0.7
245.08154	2.2
247.09677	0.8
249.05487	1.9
250.06279	1.7
251.07103	2.7
253.04961	1.8
253.08533	2.5
254.05690	0.7
254.08954	0.6
255.06569	1.1
255.10320	0.9
256.07336	0.7
257.08142	10.2
258.08817	0.7
259.05896	0.8
259.09686	1.6
263.07074	1.1
264.03854	0.6
264.07819	0.7
265.04956	0.5
265.08630	2.7
266.05771	0.9
267.06424	1.8
267.10260	1.6
268.07117	0.6
269.04492	0.9
269.08127	6.3
270.05283	1.3
271.06268	1.1
271.09708	2.9
273.07654	1.2
277.05072	1.1
278.05716	1.2
279.06589	1.1
279.10132	0.8
280.07291	1.3
281.04669	0.6
281.07962	2.5
282.08835	0.7
283.06021	2.4
283.09744	2.8
285.07596	9.0
291.06488	1.8
292.07529	0.8
293.07990	3.2
294.05267	0.7
295.06403	1.0
295.09647	2.1
297.04153	0.9
297.07574	1.0
297.11182	1.3
299.09100	4.1
301.10760	1.3
305.04501	1.2
306.05240	1.0
306.08875	0.6
307.06100	0.9
307.09647	2.2
309.07559	2.8
311.05667	1.2
311.09177	2.3
313.07068	9.4
313.10593	0.8
319.05841	1.3
321.07541	2.7
322.08453	0.8
323.09085	1.5
325.07132	0.8
325.10611	2.9
331.09277	0.7
333.07523	1.0
335.05524	0.9
335.09216	2.2
337.07007	1.7
339.08658	1.0
349.07050	1.0
351.08688	2.2
351.12573	1.0
353.10498	1.2
357.06091	1.1
377.06339	1.5
377.10248	2.0
379.08109	0.7
381.11069	0.8
387.12201	0.7
395.11249	2.3
415.11533	1.2
421.10916	1.0
427.11887	1.1
429.13489	1.0
434.12195	0.6
435.12784	0.7
443.10782	0.8
447.14316	1.2
449.09732	0.6
449.15707	0.6
451.12033	1.1
453.13565	0.9
457.12695	1.8
461.10107	0.9
461.15933	1.0
465.13324	1.7
467.15167	1.5
469.12885	2.1
471.14313	0.9
475.12744	0.7
477.13940	0.9
479.10809	0.9
483.14297	0.7
485.12109	2.0
487.13867	1.7
491.14725	0.8
494.13675	0.7
495.14545	2.7
497.15585	2.3
503.12704	0.7
505.14099	0.7
507.14575	0.7
509.16010	4.2
513.15515	7.7
515.13574	3.5
519.14569	2.2
523.14392	1.5
525.15594	1.2
527.17114	9.1
533.14337	2.2
537.15509	6.3
539.13409	1.7
541.14813	1.6
545.18250	4.4
553.14746	2.1
555.16492	10.7
556.17389	0.6
571.15918	2.3
573.17480	1.2
581.14105	0.7
599.15460	1.5
697.20361	1.3
699.21869	1.7
711.21881	1.3
713.23718	1.3
715.21503	3.4
727.21094	1.3
729.23193	4.3
731.24353	1.3
739.21820	0.6
743.21545	2.7
747.24133	4.9
748.24963	0.7
757.23248	3.2
775.23901	12.6
776.23486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
55.05506	0.8
57.03440	0.5
67.05499	1.5
69.03438	1.0
79.05509	2.5
81.03404	1.0
81.07056	2.8
81.28276	0.5
84.10671	0.5
85.02898	0.7
91.05489	2.9
93.03400	0.6
93.07056	1.1
95.01328	3.5
95.04971	0.8
95.08595	1.1
105.03368	0.5
105.07009	1.4
107.04951	1.4
109.06519	2.0
115.05426	1.1
117.07015	1.3
119.04946	0.7
119.08591	2.2
120.72433	0.5
121.02874	0.7
121.10200	0.7
123.00764	0.6
128.06204	1.4
129.07013	2.1
133.02846	1.0
133.06494	0.8
133.10097	0.5
135.04407	1.4
141.06981	1.1
144.05727	1.2
145.06497	1.7
147.04433	1.2
147.08040	4.8
149.02368	3.1
151.03883	1.8
152.06264	0.7
153.07065	0.9
155.08667	0.5
157.06485	1.9
159.04477	0.8
159.08067	0.6
160.05205	0.9
161.02354	11.0
161.05983	5.5
163.03899	2.2
165.06998	1.0
167.03413	2.0
167.08601	1.0
169.06448	1.1
171.08081	0.9
173.05986	1.7
175.03952	2.2
175.07503	2.9
177.05479	0.8
179.08589	0.8
181.06500	0.9
182.07259	0.6
183.04433	1.6
183.08131	0.9
184.05333	0.7
185.05997	7.1
186.06628	0.7
187.03929	4.5
187.07523	1.2
188.04672	1.1
189.05467	1.3
189.09106	1.0
190.06158	0.6
191.07040	0.8
193.06480	0.7
195.08066	2.2
196.05237	0.6
197.05972	1.8
197.09616	1.4
198.06805	1.2
199.03906	0.8
199.07549	2.1
200.04642	0.6
201.05482	2.1
201.09073	1.1
202.06111	0.6
203.07045	100.0
204.07414	2.0
205.04897	1.0
205.06612	0.9
205.08475	0.8
207.08116	0.8
211.07536	1.5
213.05470	1.7
213.09125	2.8
214.06276	2.1
215.07066	2.0
217.04932	1.1
217.08521	0.8
221.05977	1.1
222.06844	1.0
223.07564	2.0
225.05487	1.8
225.08990	2.6
226.06244	1.4
227.03377	1.5
227.07043	3.1
227.10648	1.3
228.07806	0.9
229.08510	5.4
231.06403	0.9
233.08073	1.4
235.07558	1.7
236.04657	0.7
237.05414	0.8
237.09117	1.3
239.06967	1.3
240.04126	0.6
241.04907	0.9
241.08609	5.4
242.05753	4.3
243.06490	1.5
243.10191	8.3
245.08141	2.0
247.09673	1.3
249.05508	1.0
250.06271	0.7
251.07103	3.2
253.04968	1.5
253.08582	1.4
254.05661	0.6
255.06607	1.0
255.10228	0.9
257.08090	10.5
258.08823	0.7
259.09665	2.4
261.05307	0.7
263.06967	1.1
264.07819	1.0
265.08636	2.9
266.05679	1.2
267.06677	1.2
267.10193	1.6
268.04001	0.6
268.07288	0.8
269.08102	5.5
270.05273	1.0
271.06104	1.1
271.09695	3.4
273.07547	1.3
277.04999	1.0
279.06647	2.6
280.07318	1.5
281.08072	3.3
282.08725	0.8
283.06052	1.9
283.09662	3.0
285.07587	8.9
291.06439	1.6
292.07550	0.6
293.04840	1.1
293.08121	3.2
294.08844	1.5
295.06323	0.9
295.09735	1.6
297.07727	0.7
297.11279	1.0
298.04510	0.7
299.06009	0.9
299.09186	4.2
299.14917	0.7
301.07303	0.5
301.10770	1.3
307.06027	1.6
307.09665	2.2
309.07693	3.0
310.08459	0.6
311.05798	0.8
311.09171	2.6
313.07080	9.6
317.08133	0.8
319.06140	1.4
320.06683	0.7
321.07721	2.8
323.09009	1.4
325.10809	2.9
333.07770	0.7
335.09213	1.5
335.25708	1.0
337.07150	1.1
339.08823	0.8
349.06946	1.2
351.08725	1.5
353.10373	1.0
357.05939	1.0
377.10516	0.9
395.11652	1.4
397.07147	0.6
399.08545	0.8
413.10031	1.1
415.11328	0.8
417.13965	0.6
423.12805	0.7
427.12033	0.7
429.13687	0.6
433.66769	0.5
437.10010	0.7
439.11661	0.7
443.15363	0.7
445.12375	0.8
447.13931	1.1
449.15369	1.0
451.11746	0.9
453.13480	1.0
457.13074	1.4
459.14523	0.6
461.15625	1.3
465.13312	1.6
467.15445	0.9
469.12827	1.4
471.13943	0.9
475.13651	0.7
477.14111	0.9
479.10748	1.1
485.11823	2.6
487.13974	1.8
489.15387	0.9
494.13660	0.8
495.14691	2.7
497.16190	1.7
505.15009	0.5
507.14673	0.5
509.16409	3.3
511.13354	0.6
513.15546	6.0
515.13397	2.2
519.14526	2.0
523.13733	1.6
525.15485	1.3
527.17108	8.0
528.17181	0.6
533.14331	1.7
537.15643	4.8
539.13281	1.7
541.14923	1.4
543.16656	0.9
545.18231	4.5
553.15167	1.1
555.16565	9.4
571.16016	1.7
573.17261	1.6
581.14734	0.6
599.15454	1.3
645.08289	0.6
649.20801	0.5
697.20660	0.9
699.21918	1.1
711.21600	1.7
713.23340	0.8
715.21014	2.4
727.21222	1.7
729.23315	4.8
731.24347	1.2
739.22272	0.7
743.20801	1.9
747.24402	5.2
757.22705	2.9
775.23950	9.7
776.22308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.8
55.05516	18.2
57.03439	16.1
57.07076	3.0
65.03928	3.9
67.05178	3.0
67.05509	53.5
67.05863	3.3
69.07074	13.8
70.01067	9.7
71.04996	3.4
79.05063	2.2
79.05499	46.6
81.03423	85.4
81.07063	58.0
83.04969	6.2
83.08626	22.6
85.02897	1.8
85.06532	3.5
91.05489	36.5
93.07052	43.4
95.04964	28.5
95.08044	3.3
95.08609	41.2
97.02874	2.3
97.06528	4.0
97.10160	8.3
101.04195	2.0
103.05558	2.4
105.06371	2.7
105.07025	29.0
107.04948	7.5
107.08607	27.0
109.06525	3.0
109.10165	21.2
111.08068	6.6
117.07031	9.2
117.84676	1.9
119.08589	25.4
121.06486	5.0
121.10157	20.5
123.08057	2.5
123.11707	3.9
125.09620	4.5
129.07010	8.8
131.08563	19.2
133.06490	3.1
133.10132	13.2
135.11717	11.0
137.09563	2.6
142.07765	2.5
143.08624	3.4
145.10176	11.2
147.08008	5.5
147.11682	11.9
149.09596	7.6
149.13252	7.1
150.55276	2.2
157.10197	10.1
159.11690	7.1
161.13258	5.9
163.11261	2.6
163.14821	3.0
165.12758	2.6
171.11652	3.4
173.13255	7.3
175.11119	8.6
175.14769	2.4
185.13193	2.2
187.14865	2.9
189.11249	4.5
193.12248	23.7
211.13200	2.3
223.13091	2.0
227.12863	10.3
243.21100	6.1
248.87354	1.9
249.14734	2.4
261.22137	20.1
263.90265	1.9
267.15930	100.0
268.16397	2.4
284.79245	1.8
301.25159	9.2
317.24722	3.8
327.23309	2.2
335.25818	92.1
336.26187	3.3
387.33691	1.9
417.31613	2.0
421.25925	3.8
428.37134	2.1
435.32611	6.6
441.52835	2.1
453.33453	7.9
471.34598	5.9
527.37360	59.5
528.37726	3.7
545.38391	46.4
569.38593	5.0
599.77930	2.3
665.49689	2.0
734.55280	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
55.05512	29.9
57.03447	17.1
57.07069	7.7
61.02929	17.0
63.04097	2.6
65.03925	5.2
67.05506	78.4
69.03412	9.3
69.07076	26.5
71.05006	4.6
71.58990	2.9
73.02912	6.4
79.05050	6.0
79.05492	73.4
81.03411	9.3
81.07057	82.6
83.05000	6.0
83.08614	14.3
85.02907	14.9
86.03195	2.7
91.03971	7.6
91.05482	68.8
92.05823	3.5
93.07040	83.9
95.04959	12.0
95.08611	69.5
97.02907	10.0
97.06550	5.7
97.10162	6.5
99.04478	3.4
105.07031	78.1
107.08603	46.1
109.06493	4.8
109.10160	31.0
111.08099	7.6
115.05420	6.2
117.07010	30.4
119.08584	55.7
119.09444	3.1
120.08879	3.5
121.10142	37.9
123.08073	5.7
123.11715	7.7
128.06224	4.9
129.07011	17.9
130.17308	3.1
131.08563	43.5
133.10126	45.2
135.08073	4.0
135.11713	24.4
137.13290	3.5
141.07005	5.3
142.07800	6.7
143.08562	21.0
145.06503	5.1
145.10139	37.5
147.11696	33.5
149.09621	3.4
149.13213	15.2
155.08546	8.0
157.10155	20.2
159.08078	3.7
159.11691	29.4
161.13304	23.9
163.14847	6.9
165.07167	4.0
167.08557	4.4
169.10173	8.2
170.86244	2.7
171.11679	20.6
173.13268	19.0
175.14861	11.9
177.05466	3.5
177.12787	4.2
181.10152	5.4
183.11717	8.7
185.13281	16.8
187.14821	7.5
189.16365	3.9
195.11726	6.0
197.13268	8.3
199.14854	9.9
203.06999	6.5
209.04259	8.1
211.14853	6.9
213.16235	4.3
225.16350	3.7
231.20866	4.3
241.19582	21.3
243.21037	4.9
257.19028	9.6
259.20590	51.7
261.22089	9.7
265.08319	3.0
277.21826	3.5
283.20563	3.6
289.21802	3.6
301.21561	4.8
315.23413	3.5
325.21518	3.3
333.24216	30.3
335.25858	66.4
337.27078	3.8
339.23227	3.4
351.25101	3.6
353.28436	2.7
363.15366	2.8
367.22656	5.1
401.09799	5.5
419.10947	8.3
433.12714	42.8
434.12842	4.1
451.13699	100.0
452.13974	5.6
519.42133	5.3
569.43042	3.5
593.45563	10.0
609.44855	7.4
611.46655	91.8
612.46576	4.2
623.46552	4.6
670.85181	3.1
701.47375	3.7
737.49622	4.2
755.50531	4.5
773.51514	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	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	26.1
57.03444	18.7
57.07061	5.2
61.02919	16.5
65.03920	7.8
67.05505	86.0
69.03442	9.8
69.07059	23.9
70.16173	8.5
70.16568	14.5
73.02914	8.5
78.85367	5.2
79.05491	61.9
81.07056	100.0
83.04949	7.6
83.08626	12.5
85.02899	9.2
91.03972	6.5
91.05484	79.8
93.07048	89.4
95.04973	13.6
95.08609	60.1
97.02902	11.5
97.06518	9.2
97.10180	5.6
105.07041	68.6
107.08593	46.8
109.06553	9.3
109.10179	33.4
117.07024	25.6
119.08595	52.2
119.85378	5.1
121.10136	32.3
123.11676	11.6
128.06204	5.0
129.07011	20.2
131.08583	45.3
133.10147	47.4
134.82980	5.2
135.11682	22.2
137.13358	5.2
143.08566	20.6
145.10146	35.2
147.11714	33.9
149.13228	13.7
155.08546	7.9
157.10168	15.9
159.11703	30.0
161.13306	21.4
169.10176	10.0
171.11697	15.4
173.13295	17.2
175.14854	12.0
183.11707	7.3
185.13301	14.9
187.14876	10.6
195.11716	7.9
199.14806	5.8
211.14754	7.0
223.15067	6.7
238.68631	5.3
239.17996	5.4
241.19499	26.0
243.10139	9.5
259.20694	39.2
261.22089	8.6
262.49884	5.0
264.19400	5.9
333.24191	34.7
335.25812	56.5
487.03442	5.5
545.38281	6.0
611.46643	76.6
773.52026	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18060	0.4
61.23491	0.4
64.82313	0.4
69.07079	0.5
69.23672	0.4
69.25893	3.7
81.07013	0.6
87.94223	0.4
89.31185	0.4
91.05479	1.2
91.28812	0.4
98.21453	0.9
104.43257	0.4
121.06444	0.5
121.10194	0.4
149.02151	1.3
149.05956	0.6
163.03662	0.5
177.05537	1.1
201.01642	0.7
203.07077	2.2
235.06017	0.7
251.06854	0.8
307.09399	19.8
308.09766	0.7
309.07251	1.0
319.05887	0.9
321.33115	0.4
321.93332	0.4
345.14636	21.3
346.15289	0.8
359.09125	1.1
363.15671	44.5
364.15955	1.2
370.08612	0.7
375.08484	1.0
379.11572	0.5
386.17426	0.5
393.13321	1.0
401.09967	15.2
402.10223	0.7
403.07980	4.2
404.08282	0.5
405.13089	0.5
418.10150	1.9
419.10995	0.5
433.12607	100.0
434.12900	3.3
451.13705	10.9
474.15414	3.6
607.82410	0.5
626.04999	0.5
715.42761	0.5
773.50891	0.5
774.12756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93930	2.2
55.01870	7.3
55.05530	13.0
57.03437	6.9
57.07070	6.1
57.66311	2.1
61.02928	4.9
67.05509	29.8
67.88169	2.1
68.99764	2.2
69.03440	22.2
69.07076	40.7
69.49980	16.9
71.04994	4.4
73.02942	3.5
75.55576	2.0
79.05502	15.5
81.03423	14.4
81.07065	96.5
83.08618	18.2
85.02920	45.4
85.06549	32.4
87.00839	15.9
89.03926	2.5
91.05482	7.3
93.07060	36.6
95.04978	4.9
95.08617	74.2
97.02906	18.2
97.06552	3.9
97.10183	8.3
99.04486	4.7
99.07533	3.8
99.08101	25.5
105.01897	13.0
105.07063	13.5
107.08607	31.0
109.02888	14.9
109.10168	43.2
111.08083	9.2
111.11744	8.4
113.09691	5.1
117.03407	6.7
119.08595	9.2
121.10143	36.2
123.10955	2.9
123.11736	21.7
125.09687	3.4
127.03924	27.6
127.11223	2.8
133.10126	7.8
135.04410	2.2
135.11716	19.2
137.05989	4.9
137.13266	16.3
137.73204	2.2
139.11180	6.9
142.22307	2.1
145.02870	14.5
145.04973	9.1
145.10185	2.7
146.03223	3.8
147.11674	4.2
149.05998	3.1
149.13264	34.2
151.14804	3.7
159.02888	3.1
160.75294	2.2
161.13231	5.1
163.03946	18.0
163.14903	14.0
166.46391	2.1
167.14336	2.6
177.05487	24.8
177.16396	25.6
178.05838	9.6
179.06017	3.5
181.15970	2.3
191.18028	6.2
195.17445	24.4
203.18117	2.8
213.18512	100.0
214.18788	5.2
217.19449	2.9
231.05083	5.4
235.20502	3.6
249.06197	4.8
250.14427	3.0
253.21585	3.7
261.25772	2.7
271.06006	9.0
272.06409	11.6
273.06638	5.8
279.26923	5.2
287.05396	2.9
291.26752	27.3
297.27863	15.3
303.05023	6.9
309.27905	52.7
309.31195	3.8
315.05264	3.6
315.08646	3.9
327.28979	60.9
328.29330	3.0
461.23825	2.7
521.30542	2.7
557.32239	2.8
756.91290	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	773.2139
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01848	0.2
55.05484	0.2
57.03438	1.3
61.02928	1.1
66.23528	0.1
68.99795	0.2
69.03397	0.6
69.41186	0.1
71.04996	7.2
71.57300	0.1
73.02879	0.5
75.04445	0.3
81.03382	0.5
83.04948	0.5
84.23262	0.1
85.02906	10.4
87.04451	0.3
91.03920	0.7
93.03371	0.2
97.02896	1.2
98.97562	0.2
109.02864	0.4
110.97501	0.1
111.00810	0.8
111.04421	0.3
121.02837	0.7
123.04368	0.2
127.03914	0.8
129.05487	2.1
137.01360	0.2
137.02347	2.4
145.02821	0.2
145.04924	0.4
147.06480	0.7
149.02299	0.5
153.01834	2.6
161.05971	0.2
163.03876	0.4
163.44989	0.1
165.01855	1.6
166.02563	0.2
173.05894	0.2
174.55324	0.1
177.05518	0.3
183.02856	0.5
187.03914	0.2
201.05553	0.9
205.04926	0.3
211.31042	0.2
215.03444	0.2
219.06477	0.2
229.04959	3.3
247.06006	0.6
255.68987	0.1
257.04456	2.5
261.03964	0.2
270.92279	0.2
274.04776	0.6
285.03943	1.3
287.05435	0.3
290.29337	0.2
303.04993	100.0
304.05359	2.7
315.04984	0.2
329.06711	0.3
345.05905	0.4
369.06058	0.2
449.10782	0.3
465.10318	20.6
466.10672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2135
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01842	0.3
55.05507	0.2
57.03442	1.4
57.34716	0.1
61.02907	0.4
68.99767	0.3
69.03436	1.1
69.92731	0.4
69.93137	0.6
71.04996	7.9
73.02881	0.2
75.04450	0.3
75.22115	0.1
75.90496	0.1
81.03392	0.5
83.04959	0.5
85.02909	11.2
87.04449	0.4
91.03932	0.2
95.04947	0.3
97.02904	1.2
99.04445	0.4
104.15242	0.1
109.02917	0.7
111.00772	0.6
111.04426	0.3
121.02824	0.5
127.03899	1.0
129.05492	2.3
137.02347	2.8
145.04951	0.6
147.06517	0.7
149.02322	0.4
153.00694	0.2
153.01823	2.6
163.03888	0.3
165.01842	1.7
166.02567	0.2
173.05989	0.2
173.34407	0.2
183.02928	0.7
187.03949	0.2
195.02885	0.3
201.05435	1.1
205.05116	0.2
210.23752	0.1
215.03313	0.2
219.06516	0.3
229.05005	2.9
229.07262	0.2
247.06024	0.5
257.04434	2.6
274.04745	0.5
285.04007	1.1
299.05542	0.3
303.05002	100.0
304.05313	2.8
304.17307	0.2
315.04913	0.2
327.05249	0.2
329.06613	0.2
345.06125	0.4
353.06323	0.2
438.77118	0.2
465.10315	20.9
466.10522	1.0
627.15784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
55.05514	2.4
57.03444	1.3
67.05508	4.7
69.03421	1.3
69.07078	6.7
69.83672	1.1
71.58059	1.4
79.05499	5.1
81.03438	3.2
81.07069	10.9
81.70124	1.0
83.01349	1.8
91.05479	9.3
93.07041	4.5
95.01345	4.4
95.04971	3.6
95.08630	4.8
105.03403	9.5
105.07041	3.8
107.04973	3.1
107.08624	2.9
109.06550	2.3
109.10170	2.5
115.05461	1.1
117.07032	2.8
119.08613	3.0
121.06531	1.9
123.11675	1.7
128.06256	2.7
129.07028	3.3
131.04944	1.3
131.08585	2.2
133.02873	1.5
133.10112	1.4
135.04456	1.6
141.06996	2.5
143.08566	2.7
145.06509	3.3
145.10144	2.2
147.08060	3.5
149.02361	3.8
151.03952	1.1
155.08624	1.2
157.06502	2.3
159.08150	1.5
159.11745	1.2
160.05225	2.0
161.02350	7.9
161.03523	1.1
161.06004	4.5
163.03983	3.4
165.07005	1.3
167.03432	3.0
169.06534	1.4
169.10197	1.8
171.08089	3.4
173.06001	3.1
175.03973	2.7
175.07533	3.1
177.05475	1.4
179.08646	3.2
181.06557	2.1
182.07260	1.2
183.08063	1.7
185.06044	5.1
187.03920	4.5
189.01874	4.2
189.05510	3.0
189.07069	1.5
189.09129	1.4
191.03403	4.0
191.08647	1.6
197.09734	1.7
199.07555	1.8
201.05595	2.0
201.09200	1.9
203.07042	100.0
204.07347	1.8
207.08066	1.9
211.07594	2.2
213.09082	1.9
215.08607	4.6
215.10588	2.5
225.09157	3.1
226.07808	2.4
229.10184	2.8
231.06392	1.6
235.07603	2.9
239.08643	4.0
240.09311	2.7
241.08463	1.9
243.08002	4.9
243.10161	30.9
245.06030	7.9
251.06865	2.0
252.09389	1.7
253.10362	1.2
255.08095	4.5
255.11819	1.7
257.09616	3.3
261.09262	2.3
263.06870	1.4
265.10196	4.5
268.08954	4.2
269.07843	1.7
269.10037	2.3
271.07516	4.8
271.11194	1.9
273.05679	2.5
273.08981	1.7
275.06989	1.4
281.09668	2.5
282.10410	2.7
283.07578	3.7
283.11261	4.2
284.08292	1.6
285.09021	4.1
287.07208	1.5
288.07846	1.6
289.08719	3.4
291.06485	1.3
292.09061	1.5
293.09772	5.9
294.10425	1.7
295.07544	2.2
295.11035	2.0
296.08432	1.9
297.09125	3.5
298.06311	1.8
299.06995	7.6
299.10013	1.4
300.07986	1.6
301.05042	2.8
301.08655	4.2
303.06540	2.4
303.10092	1.6
309.09171	2.5
310.09869	2.6
311.07068	3.0
311.10687	11.8
312.07816	1.7
312.11554	1.7
313.08618	4.2
315.06570	1.9
316.07333	9.1
317.07990	6.5
319.09756	2.4
321.09134	5.5
322.09686	1.5
323.10632	2.1
324.07788	2.2
325.08600	5.4
327.06662	6.4
327.10196	2.0
328.07266	1.8
329.08188	4.6
330.02493	1.2
331.09659	13.5
335.25714	1.9
336.07950	1.4
337.08646	3.6
338.05807	2.0
338.09418	2.6
339.06790	1.0
339.10172	23.7
340.10983	3.9
341.08112	4.5
341.11917	3.6
343.05927	1.8
343.09778	2.3
345.07596	3.2
347.09195	1.4
349.08566	6.1
351.10107	2.7
353.12051	1.5
354.08783	1.5
355.06021	25.7
355.09848	4.1
356.06573	1.8
356.10538	2.1
357.07471	1.8
357.11270	3.1
359.09109	4.5
365.08075	2.9
366.08704	2.5
367.09698	29.1
367.14047	1.9
368.10364	2.8
369.07285	1.7
369.11295	9.0
371.09128	3.7
371.13132	1.8
373.07083	13.7
377.07834	2.5
378.08896	1.3
379.11911	2.3
381.11398	2.4
383.09100	2.1
385.10754	15.3
387.08655	10.7
393.07443	1.7
395.09134	25.3
397.10742	2.5
399.12274	12.4
405.09720	1.8
411.08353	1.4
413.10175	22.3
425.10495	1.3
427.11807	16.2
439.08096	2.9
479.18594	22.0
491.22269	6.5
497.19669	12.0
509.23300	4.5
511.21332	7.1
519.21844	14.3
523.24585	6.6
537.22760	35.4
539.15161	1.8
541.25916	5.4
551.15356	1.8
551.24097	15.5
553.15857	1.8
569.15979	4.6
579.13934	2.3
583.17383	1.8
587.17084	7.4
597.15405	6.5
601.18494	2.4
609.45325	1.3
611.17010	5.2
615.16589	21.1
629.18127	19.4
647.19061	4.6
679.78851	1.2
693.28247	3.1
711.29272	1.9
721.27753	5.2
723.29333	9.3
725.31525	7.6
735.28638	1.9
739.29010	21.6
753.30499	13.9
771.31195	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	771.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05512	1.0
57.03417	0.5
57.07064	0.3
65.03942	5.3
67.05508	2.7
69.03429	0.6
69.06712	0.5
69.07067	6.5
69.31985	2.4
79.05503	2.2
80.58159	0.3
81.03406	1.4
81.07059	4.0
83.04984	0.4
83.08595	0.3
91.05486	2.6
93.03403	3.4
93.07052	2.0
95.01341	0.6
95.04966	0.4
95.08609	2.9
97.02892	0.4
97.10175	0.4
98.21446	0.4
98.58652	0.3
103.01810	0.3
105.03407	0.4
105.07033	1.5
107.04967	3.3
107.08611	1.3
109.02851	0.3
109.06484	0.4
109.10170	3.5
111.04452	0.5
115.05481	0.7
117.07007	1.0
119.04942	0.5
119.08585	1.5
121.02876	4.2
121.06471	0.7
121.10141	1.1
123.00797	0.4
123.04427	1.4
123.08056	0.3
123.11669	1.5
126.75777	0.2
128.06200	0.6
129.07025	0.7
131.01297	6.3
131.04936	1.0
131.08566	1.0
132.74031	0.3
133.06537	0.6
133.10139	0.9
135.04428	0.9
135.08063	0.4
135.11688	0.5
137.02344	3.9
137.06049	0.5
141.06985	0.4
143.08571	0.7
145.06450	0.7
145.10150	0.6
147.04477	0.6
147.08076	0.8
147.11679	0.5
149.02345	83.1
150.02731	0.8
151.03908	12.8
153.06990	0.3
155.08408	0.3
157.06529	0.3
159.11668	0.6
161.02388	0.9
161.06006	3.6
163.03906	4.9
163.07567	1.3
165.05486	1.6
165.06857	0.5
167.03406	100.0
168.03746	1.5
169.10088	0.3
171.08075	0.6
173.04578	0.3
173.06044	0.9
175.03920	1.2
175.07539	2.2
177.05487	2.0
178.07816	0.4
179.08562	0.7
181.05106	0.5
181.06502	1.0
182.07295	0.5
183.08109	0.3
185.05922	0.4
187.03903	0.5
187.07574	0.5
189.05478	2.3
189.09171	0.3
190.07701	0.5
191.07037	22.4
191.08496	1.3
192.07390	0.3
193.10234	0.4
194.07335	0.3
195.08070	1.1
196.08829	0.5
197.06030	0.9
197.09744	0.5
199.07668	0.6
201.09137	0.7
203.07040	10.5
203.10635	0.9
204.07417	0.3
205.08580	3.9
207.08054	2.3
208.08807	0.5
209.08051	4.3
209.09706	0.5
210.06798	0.9
211.07579	0.8
211.11195	0.3
213.09082	0.5
213.12840	0.4
217.08611	4.7
217.12238	0.8
219.08037	1.5
220.08653	0.3
223.07634	1.0
224.08334	1.1
225.05478	0.6
225.09106	5.7
225.11136	0.5
227.10645	0.7
231.10242	0.5
231.13800	12.1
234.06732	0.3
235.07542	1.2
236.08365	1.2
237.09006	1.5
239.07040	0.9
239.10716	1.9
241.08725	0.5
241.12152	0.3
243.10191	5.6
245.15540	0.6
247.07529	1.4
251.07053	2.3
251.10896	0.4
252.07863	2.0
253.08591	2.2
255.10133	0.8
257.08075	3.0
257.18970	0.4
263.07117	1.0
265.08646	0.7
266.09421	0.6
267.10187	3.4
269.08710	0.5
269.11774	2.4
273.14859	99.5
274.15216	2.4
275.20081	0.8
278.09448	0.4
279.10175	1.7
295.09677	11.1
296.09949	0.5
297.11243	6.0
334.02957	0.3
335.25824	0.8
349.23645	0.4
391.11539	1.4
453.17157	0.5
467.14816	0.7
481.16531	5.9
497.16010	4.3
499.17551	15.9
500.17914	0.5
545.38190	1.5
609.45105	0.6
631.40436	0.3
633.49628	0.3
647.19397	0.5
729.75830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78694	1.0
54.33519	1.1
55.01874	3.7
55.05524	5.4
57.03445	3.6
58.68789	1.2
61.02947	1.7
65.19328	1.2
67.05505	14.9
69.03439	2.9
69.07079	7.4
69.19791	2.5
69.20191	12.5
71.05019	1.6
79.05485	12.6
80.27139	0.9
81.03434	9.9
81.07063	20.4
83.04970	1.6
83.08633	2.5
85.02909	4.9
91.05487	26.1
93.07040	13.0
95.01345	2.4
95.04984	4.2
95.08615	10.9
97.02903	1.8
97.06542	1.5
98.20706	2.3
99.04456	1.2
103.05476	3.0
105.03410	4.0
105.04553	1.3
105.07040	11.1
107.04987	2.3
107.08586	8.2
109.02897	8.5
109.06544	3.2
109.10160	4.5
115.05486	1.9
115.71798	1.2
117.07014	6.0
119.08610	8.4
121.06516	36.0
121.10172	4.8
123.08119	1.3
123.11722	1.6
125.93387	1.0
128.06253	2.9
129.07010	6.0
131.04965	3.5
131.08571	6.0
133.06534	2.5
133.10110	5.6
135.00844	3.5
135.08115	1.2
135.11707	2.5
137.09601	1.3
141.07010	2.3
142.07817	1.5
143.08598	3.6
145.06602	1.5
145.10100	7.3
147.04446	1.9
147.08089	4.1
147.11729	3.2
149.02350	1.6
149.05998	1.4
154.07802	1.2
155.08585	3.0
157.06531	4.4
157.10201	3.0
159.11728	5.1
161.02362	10.6
161.06029	3.7
161.13263	1.8
163.03947	2.1
163.11221	1.5
165.07082	3.4
167.03416	2.5
169.10207	4.3
171.04633	1.3
171.08110	1.7
171.11745	2.5
173.09615	1.5
173.13284	2.4
175.03964	1.7
175.07585	1.8
177.05498	8.2
177.32735	1.3
179.08580	2.7
181.06512	2.0
182.07242	1.8
185.06020	4.1
185.13301	2.4
187.03947	4.4
187.15007	1.4
191.08650	1.6
195.08069	6.0
197.09610	1.6
197.13332	2.4
199.07576	6.2
203.03629	3.8
203.07037	100.0
204.07323	1.5
205.04915	1.6
205.06604	2.1
207.08185	1.5
213.07147	1.4
213.09081	2.9
215.08688	2.4
221.09653	1.4
223.07655	4.7
225.09163	2.2
226.06203	1.9
229.06787	1.5
229.10271	2.0
231.08186	2.2
233.04485	2.3
237.05627	1.6
239.08699	1.8
241.04982	1.5
241.08488	16.9
243.08038	1.5
243.10249	2.9
247.07643	1.5
251.07138	3.8
255.02881	2.2
255.08112	4.7
255.11848	1.6
257.09726	2.5
257.19107	5.3
265.05295	1.5
265.10254	2.5
269.08069	54.0
271.07516	3.0
273.03894	1.7
275.07190	2.4
275.20142	4.3
277.05066	4.7
279.06516	1.6
281.09680	2.0
282.10275	1.8
283.07767	1.7
284.08234	1.2
285.05722	2.3
285.09174	4.7
287.06866	5.8
289.05121	2.2
291.06497	1.2
291.10214	1.9
293.10016	2.8
295.07889	2.1
296.08423	1.4
297.09286	2.5
299.07129	8.8
301.08951	1.3
303.06671	2.5
305.08182	4.8
311.07285	2.4
311.10608	2.4
313.08722	4.2
315.10403	1.4
317.08136	3.4
319.09836	3.2
321.09351	2.5
323.07169	2.5
324.07999	2.0
325.05148	1.8
325.08649	3.7
327.06589	4.2
329.07852	1.4
331.09848	4.0
335.25937	8.0
337.08765	4.5
339.06583	2.8
339.10291	6.6
341.08240	4.8
343.09671	1.8
345.07648	5.5
346.08121	1.5
349.08749	4.3
349.24164	1.4
351.10458	2.2
352.07181	2.2
353.08240	3.1
355.10004	2.5
359.09244	4.9
361.10818	3.9
363.09048	1.5
365.08115	3.9
366.08951	1.5
367.09763	14.1
369.07629	2.8
377.08246	3.3
379.11847	7.6
383.09213	1.4
385.11133	1.4
393.07785	3.4
395.09271	14.8
397.10892	2.1
399.12411	2.6
409.10779	4.8
413.10364	1.7
415.11801	1.4
421.07135	4.0
427.11832	19.6
445.12817	9.2
453.09756	14.3
453.20081	1.8
485.23358	3.1
491.22028	1.3
503.24384	3.2
519.22058	1.8
537.23248	1.8
545.38245	3.7
551.15607	2.1
551.24335	14.2
569.16980	1.4
569.25342	19.9
569.33490	1.8
577.22687	2.5
579.15833	1.3
582.06464	1.2
593.35114	1.4
597.15674	4.2
609.45166	8.6
611.17609	1.6
629.18115	30.0
647.19550	1.5
711.29523	1.8
721.28418	3.3
753.30591	43.2
753.44354	2.5
754.30377	1.7
771.31610	51.7
772.31964	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	771.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.1
57.03407	1.0
61.02888	0.8
65.03921	0.5
68.99755	0.8
69.03430	6.8
71.04962	0.8
73.02885	1.4
73.77612	0.4
79.05457	0.8
81.03424	4.8
81.07026	0.4
85.02905	6.2
87.00804	1.4
91.05493	1.6
93.03391	0.8
93.07031	0.7
95.04954	0.7
97.02882	3.1
98.21534	0.5
99.04420	1.4
103.03929	0.6
103.05479	2.4
105.01812	0.5
105.06503	0.3
105.07035	2.6
106.04174	0.5
107.01245	0.6
107.04966	0.6
109.02888	3.7
109.10016	0.4
115.05443	1.8
117.03397	0.6
118.04180	1.6
119.04922	0.8
121.06499	2.7
125.02321	0.7
127.03069	0.5
127.03930	4.8
128.06238	0.7
130.04126	0.5
131.04930	2.2
132.05705	2.4
133.06497	4.5
134.03607	0.6
135.04402	1.5
136.05275	0.4
137.05922	0.4
139.03900	0.5
140.04594	0.5
141.06891	0.3
143.04886	0.8
145.04929	0.7
145.06450	0.8
147.04382	0.7
148.05164	1.1
149.05997	2.8
152.06245	0.4
153.01842	6.0
153.06882	0.4
153.09099	0.4
154.06200	0.8
155.03551	0.4
155.04889	0.8
158.07285	4.6
159.02925	0.7
159.04373	0.5
159.07956	0.4
160.05199	0.7
161.05986	6.7
163.07507	0.6
167.07077	4.1
168.05649	0.9
169.06461	1.4
170.07289	0.4
171.02980	0.7
171.04327	0.6
171.08009	0.6
173.05988	0.7
173.09604	0.5
176.04698	1.0
177.05490	2.4
179.07031	0.8
180.07796	0.7
181.08601	1.0
182.01976	0.4
182.09431	1.5
183.04382	1.3
183.08054	0.8
185.05959	0.6
186.06784	4.8
187.05899	0.5
187.07442	0.4
189.09036	0.4
191.07031	3.4
192.07779	2.6
193.04887	0.4
193.08585	7.4
196.05247	1.6
197.05923	0.9
198.06737	0.8
199.03954	0.8
199.07550	0.9
201.05394	0.8
201.09119	6.9
202.06163	0.4
209.08083	4.1
210.08838	2.3
211.07481	1.0
211.09454	0.3
213.05440	1.1
214.06259	10.9
215.06429	0.4
225.05478	2.3
226.06328	0.7
227.06981	1.1
229.04976	0.4
229.08543	2.4
239.07092	0.9
240.07834	1.7
241.04860	0.4
242.05711	4.1
243.06468	0.3
253.04924	0.7
254.05748	0.4
255.06436	0.6
256.07278	0.7
257.08102	10.0
259.09668	1.2
267.06635	0.6
268.07364	2.5
269.04471	0.7
269.07941	0.9
270.05209	3.9
271.05856	0.9
272.06866	0.7
282.05270	0.5
283.05936	0.6
284.06784	0.7
285.07584	66.3
286.07971	1.8
296.06815	2.0
297.07581	2.1
298.04974	0.4
299.09033	0.7
300.06360	3.0
311.09186	1.1
313.07059	81.8
314.07672	4.2
315.08624	17.8
316.09018	0.4
325.07062	0.7
327.08521	0.5
355.08047	1.3
369.09888	0.4
431.11734	0.3
473.12515	0.9
477.15152	0.3
493.14990	3.7
505.14954	14.0
506.14389	0.5
523.16022	100.0
524.16479	4.2
565.16895	0.8
571.40546	0.4
591.15802	0.7
685.21240	0.8
771.21472	4.3
771.35327	0.7
772.20605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.9
55.05490	0.2
57.03446	1.2
61.02885	0.8
62.11338	0.2
65.03898	0.4
67.05497	0.5
68.99764	0.6
69.03429	7.1
69.07043	0.3
70.56720	0.5
71.01327	0.2
71.04968	0.7
73.02908	1.0
77.03889	0.2
77.40963	0.2
79.05472	0.7
81.03419	5.4
81.07046	0.5
83.08582	0.2
85.02908	6.3
87.00843	1.6
87.04421	0.3
89.03892	0.4
89.58570	0.2
91.05477	2.3
93.03377	0.4
93.07043	1.0
95.04928	0.6
95.08562	0.4
97.02888	3.2
99.04456	1.4
101.02354	0.3
102.04677	0.3
103.03897	0.3
103.05473	2.6
105.01824	0.8
105.06386	0.2
105.07034	3.1
106.04166	1.0
107.01286	0.4
107.04950	1.1
107.08578	0.3
108.02107	0.5
108.05769	0.2
109.02880	3.7
109.10142	0.5
111.04408	0.3
115.05453	1.7
117.01823	0.4
117.03358	0.2
118.04182	1.0
118.74441	0.2
119.04946	1.1
119.08551	0.2
121.02874	0.2
121.06513	3.1
123.04417	0.5
125.02338	0.9
125.05936	0.6
127.03920	4.4
128.06171	0.5
129.01843	0.4
129.06984	0.5
130.04108	0.6
131.04021	0.2
131.04936	3.2
132.05714	2.6
133.02831	0.2
133.06508	3.9
133.10103	0.3
135.04416	1.8
135.08005	0.2
137.05956	0.4
139.03871	0.4
139.07559	0.2
141.06937	0.5
143.04942	1.3
145.02852	0.5
145.04912	0.8
145.06485	0.9
146.03606	0.3
146.07207	0.3
147.02811	0.2
147.04372	0.9
147.08006	0.5
148.05145	0.8
149.02335	0.3
149.05989	3.1
151.03909	0.5
151.07486	0.4
153.01826	5.9
153.05501	0.5
153.06732	0.3
153.09073	0.3
154.06212	1.0
155.03525	0.3
155.04915	0.7
155.08606	0.3
157.06551	0.4
158.07275	5.5
159.02882	0.7
159.04391	0.9
159.08018	0.5
160.05164	0.7
161.05988	7.4
161.09630	0.2
163.07556	0.4
165.05528	0.4
167.03369	0.2
167.07050	4.2
168.05754	1.0
169.06453	2.1
170.07259	0.3
171.02873	1.7
171.04382	0.7
171.08064	0.9
173.05965	0.9
173.09648	0.3
175.03873	0.4
175.07549	0.2
175.11159	0.3
176.04703	1.1
177.05470	2.4
178.06233	0.3
179.03444	0.3
179.07018	0.6
180.07764	0.5
181.08562	0.7
182.02054	0.5
182.09384	1.8
183.04370	1.3
183.08031	1.0
184.05165	0.5
185.05960	0.9
186.06758	5.9
187.05946	0.6
187.07466	0.5
191.07047	3.6
192.07814	2.6
193.08614	7.9
196.05200	1.6
197.06020	1.6
198.01585	0.6
198.06714	1.0
199.03877	0.8
199.07492	0.8
201.05423	0.8
201.07234	0.4
201.09106	7.0
202.06245	0.3
207.06456	0.4
209.08086	3.8
210.08873	2.9
211.07541	1.1
211.09424	0.3
212.04749	0.4
213.05481	0.9
213.09090	0.7
214.06241	12.5
215.06744	0.3
225.05482	3.0
226.06151	0.4
227.03455	0.3
227.06940	1.4
229.05000	0.3
229.08603	2.6
231.04909	0.2
239.03346	0.3
239.06990	0.5
240.07820	1.8
241.04996	0.6
241.08551	0.5
242.05760	4.3
243.06569	0.3
251.07188	0.3
253.04971	0.6
254.05646	0.5
255.06480	0.9
256.07220	0.6
257.08102	11.6
258.08524	0.5
259.09692	0.9
267.06506	0.4
268.04413	0.3
268.07315	2.4
269.04480	0.7
269.08105	0.8
270.05246	4.0
271.06049	0.5
272.06677	0.5
281.04752	0.3
282.05261	0.4
283.05920	0.6
284.06894	0.7
285.07581	71.1
285.56839	0.2
286.07983	1.9
287.05298	0.2
295.06183	0.3
296.03830	0.4
296.06842	2.3
297.04324	0.5
297.07559	2.4
298.04724	0.5
299.05704	0.5
299.09198	0.7
300.06293	2.9
311.09082	0.8
313.07050	87.3
314.07605	5.0
315.08615	17.4
316.08838	0.4
325.07141	0.7
327.08609	0.4
355.08017	1.3
369.09616	0.6
417.09467	0.3
431.11279	0.3
473.12607	0.6
490.12442	0.4
493.14877	4.0
505.14944	13.5
506.15283	0.7
523.16003	100.0
524.16290	5.0
565.16925	0.7
591.15027	1.0
595.14502	0.3
685.21240	1.3
727.22028	0.7
753.19769	0.6
770.68524	0.2
771.21472	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	767.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
59.94426	0.4
64.20833	0.4
65.03937	3.6
67.05507	2.0
69.07074	1.8
71.04982	0.5
71.56140	0.6
79.05496	1.1
81.03423	0.5
81.07050	2.2
83.01344	1.7
86.09723	0.5
90.15817	0.4
91.05483	100.0
92.05812	1.0
93.07056	1.5
95.04967	0.5
95.08601	1.0
96.59290	0.4
100.97276	0.4
103.05475	1.1
105.03400	0.9
105.07040	5.0
107.08596	2.4
109.10150	2.3
115.05487	0.5
117.07001	1.2
119.08592	3.1
121.10150	1.8
123.11716	1.3
129.07007	0.9
130.07487	0.4
131.08551	0.7
133.10141	4.0
135.04428	1.1
135.11671	1.3
141.06999	1.6
143.08562	0.9
145.10139	2.2
147.04413	1.5
147.11742	2.2
149.02374	0.7
149.06012	0.7
153.06935	0.4
154.07846	0.5
157.06496	1.0
157.10117	0.7
159.11713	1.4
161.06026	0.7
161.13318	0.6
163.03918	1.9
163.14861	0.9
164.09839	0.4
165.07051	1.0
167.03317	0.6
167.08601	1.2
169.10109	0.5
171.07973	0.5
173.06021	0.5
173.13281	1.0
175.03914	12.8
175.14813	0.7
177.05443	1.1
178.07808	1.3
179.08557	6.4
181.06500	0.8
181.10175	0.6
182.07310	0.6
183.08086	0.7
187.14816	1.6
189.05504	1.0
189.16412	1.4
195.08086	0.8
197.09535	2.2
199.07582	3.1
201.16434	1.1
207.08067	4.5
209.09715	0.5
210.06789	1.9
211.07535	2.5
215.07019	1.0
223.07524	0.7
225.09126	7.8
227.10641	3.3
235.07544	5.5
241.08655	1.5
245.22559	0.7
247.07674	0.4
251.07068	1.1
251.10674	0.7
253.08606	84.6
254.08931	2.4
255.10170	10.2
265.08755	0.5
267.10202	1.5
267.13785	1.0
271.09598	3.1
281.11786	0.7
291.10181	1.7
293.11652	3.0
295.13272	1.2
307.13318	1.6
309.11581	0.5
309.14780	2.0
311.12198	0.5
319.13177	0.6
321.14899	0.5
333.14706	0.8
335.16357	1.1
361.18018	0.7
375.19495	7.0
415.22537	1.0
441.24463	2.0
467.50665	0.4
495.28949	1.5
497.30508	17.9
497.37796	0.9
498.30743	1.1
509.30405	1.1
509.84998	0.5
543.06403	0.4
568.55542	0.5
591.63702	0.5
636.24506	0.5
723.40430	2.7
749.38361	32.9
750.38947	2.4
767.38892	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	767.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	4.1
69.22895	33.5
79.05489	6.4
81.03410	5.8
81.07048	7.7
91.04993	3.9
91.05478	24.9
93.07050	6.0
95.08582	5.0
103.05460	3.0
105.03383	3.9
105.07034	8.8
107.08587	4.4
117.07018	4.2
119.08538	4.4
121.06496	16.2
133.10161	3.7
133.53568	3.1
145.02834	5.0
149.05954	16.1
157.10069	5.2
161.02269	5.4
166.07701	3.3
175.04048	3.6
177.05466	32.6
179.08507	3.5
185.05981	4.3
201.05420	3.9
203.03424	8.9
203.07040	100.0
215.06912	5.6
215.10770	3.9
243.10179	8.7
255.10066	5.0
267.10223	21.5
319.09622	4.8
321.14899	62.7
322.15259	3.9
333.11258	4.5
339.15887	4.1
379.11789	29.4
393.13297	31.8
411.14337	10.7
495.97299	3.2
522.00037	3.6
749.28699	3.4
760.62231	4.2
767.44348	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	766.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
55.05513	7.5
57.03440	12.0
57.07081	27.5
64.70049	0.9
67.05510	12.6
69.07068	7.9
71.01363	2.2
71.04964	1.3
71.08636	20.3
71.56355	1.5
77.36827	0.9
79.05491	8.4
81.03421	58.8
81.07060	18.6
83.04968	4.6
83.08144	1.2
83.08622	17.9
85.02889	3.7
85.10187	14.6
89.06024	1.5
91.05490	12.3
93.07038	7.7
95.01321	1.8
95.04971	17.8
95.08608	18.1
97.02884	3.3
97.06536	1.5
97.10159	4.6
99.11723	1.3
105.07018	9.3
107.04968	5.1
107.08582	3.1
107.38404	1.0
109.06515	2.9
109.10139	9.4
111.08054	4.1
113.02364	1.3
115.05437	1.6
117.06977	1.4
119.08566	10.0
121.06508	1.9
121.10175	5.2
123.04416	2.9
123.08093	1.1
123.11697	3.2
129.07033	6.4
131.08582	5.2
133.06470	2.4
133.10110	4.3
135.11667	1.2
137.05988	1.5
141.01790	1.6
142.07741	2.1
145.10114	2.3
147.04375	1.2
147.08057	2.6
147.11687	5.6
149.09628	3.4
157.10130	7.7
163.11121	1.2
165.12820	1.6
175.11172	6.8
177.05409	1.1
193.12234	23.1
211.13261	1.8
235.13312	3.2
239.23682	3.3
249.14873	2.3
257.24789	2.0
267.15927	96.1
268.16135	2.4
271.13269	2.5
289.14325	3.3
297.11041	1.4
309.16949	3.3
313.27380	100.0
314.27914	1.7
315.12500	1.2
317.28009	1.1
351.14636	1.5
365.80646	1.3
407.16867	1.5
415.27008	1.1
443.19022	2.5
489.30447	2.2
505.38919	73.8
506.39011	2.8
523.40063	1.5
542.89490	1.2
547.39716	4.4
572.33813	1.1
601.40765	2.2
663.40698	1.6
735.43579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.7
67.05497	1.1
69.07061	1.2
69.08553	0.3
71.57664	0.3
71.58054	0.5
76.57291	0.4
79.05483	2.5
80.05023	0.8
81.05811	0.7
81.07037	2.4
82.06580	2.3
89.03918	1.5
91.05483	2.2
93.05784	0.7
93.07068	1.7
94.06567	4.5
95.04978	0.7
95.07330	1.4
95.08609	1.1
96.07550	0.5
96.08134	9.0
102.80211	0.4
103.05451	0.7
105.07010	1.1
106.06557	2.9
107.07360	0.7
107.08610	0.4
108.07409	0.7
108.08121	8.8
108.87561	0.4
109.10163	1.0
110.09692	5.2
116.04985	6.4
118.06558	0.4
119.04922	0.3
120.04474	1.0
120.08120	5.0
121.06484	0.5
122.06049	5.3
122.09595	0.3
124.07601	38.8
133.79367	0.4
134.06038	0.6
136.07585	8.7
138.09148	6.7
139.07516	0.4
144.04448	6.4
146.06024	2.1
148.07596	3.2
152.07069	4.9
160.03964	0.7
162.05489	0.9
166.08653	14.7
172.03937	7.5
172.05394	0.4
173.04533	0.4
174.05516	1.2
186.05444	0.4
190.05003	51.4
191.05399	0.9
191.07054	0.5
192.07852	0.8
195.07962	0.3
203.07156	0.5
204.06589	0.5
207.09119	0.5
208.09900	0.7
209.06987	0.5
213.09154	1.3
223.08690	0.7
223.12297	1.1
226.11160	0.4
236.09373	2.0
241.08682	0.6
247.10008	0.4
250.10999	0.9
251.11810	1.9
252.08878	1.7
253.09721	0.4
263.08096	0.5
264.08966	0.8
269.08093	0.6
269.12833	0.5
279.11301	6.3
296.11264	0.7
297.12344	12.3
300.10168	0.9
307.10837	1.6
324.10068	0.4
325.11841	100.0
326.12100	3.2
340.09579	0.6
343.12906	13.0
344.12970	0.5
347.15311	1.1
365.16452	0.6
395.14948	2.9
414.12317	0.5
550.22205	2.2
562.22113	3.1
669.30231	0.5
697.28571	0.7
702.84589	0.4
715.30084	3.0
765.43286	2.2
773.78992	0.4
779.77222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05514	1.9
57.03431	1.9
61.02939	6.4
67.05511	5.3
67.41587	0.7
69.03433	3.7
69.07061	1.9
69.50496	2.0
69.50927	2.7
71.01376	0.8
71.05000	0.8
73.02916	4.3
79.05492	4.4
81.03436	2.1
81.07063	5.1
83.04982	1.0
83.08624	0.8
85.02913	6.2
91.03978	3.5
91.05482	5.9
93.07034	4.3
95.04977	1.0
95.08625	4.2
97.02910	6.2
99.04471	1.6
101.02383	2.4
105.07048	1.3
107.08578	3.3
109.02917	1.1
109.10159	1.9
117.07004	0.8
119.08569	1.2
121.10183	1.9
123.08044	0.6
123.11722	1.1
127.03956	2.1
131.08585	1.3
133.10182	0.9
135.11728	1.3
145.10168	1.1
147.11743	0.6
156.59790	0.6
163.11214	1.4
165.01872	0.9
167.80322	0.6
174.54285	0.6
179.08365	0.6
243.08432	1.5
249.10849	0.7
267.10257	2.1
323.16583	2.6
335.25931	1.1
401.11633	1.2
441.17166	3.2
467.19016	2.3
485.19980	3.4
519.29321	8.7
719.40979	0.8
745.41376	8.1
763.42365	100.0
764.42511	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	761.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
53.80784	0.4
55.01868	0.7
55.05516	1.2
57.03442	2.5
58.32315	0.4
59.04995	1.0
61.02927	3.3
67.05504	2.0
69.03430	2.8
69.07075	1.2
69.75699	2.1
71.04993	2.1
73.02918	2.5
79.05489	3.6
81.03419	5.2
81.07065	3.2
83.04985	1.0
83.08626	1.4
83.36105	0.5
85.02908	4.2
85.06544	0.6
87.04482	0.8
88.13560	0.5
88.44092	0.4
91.03960	2.2
91.05491	3.8
93.07024	2.1
95.04974	1.7
95.08624	1.8
97.02907	3.3
97.06554	1.3
99.04478	0.6
101.02396	1.5
103.04011	0.5
105.07032	2.7
107.04964	0.5
107.08620	2.2
107.33390	0.4
109.02869	0.7
109.06533	0.7
109.10145	0.5
111.08063	0.9
112.07482	0.4
119.08602	1.7
121.10137	2.6
123.08100	0.6
123.11720	0.5
127.03936	1.2
129.07042	1.3
131.08574	2.6
133.10168	2.2
137.09555	0.4
138.27046	0.4
145.04973	0.5
147.11693	2.1
149.09634	2.8
157.10150	2.0
165.12740	0.5
175.11272	1.4
188.07825	0.4
193.12247	3.0
225.14970	1.2
233.11443	0.5
243.06284	0.4
243.08415	2.9
245.62442	0.5
267.15988	1.6
283.06119	1.1
283.15179	6.5
339.18057	1.6
364.09845	0.5
382.36813	0.5
469.20432	1.0
501.23108	27.2
502.23361	0.9
558.18030	0.4
599.34137	0.6
722.14325	0.5
761.39319	100.0
762.39380	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	760.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01857	0.9
65.17188	0.7
67.05479	0.8
69.03414	1.8
70.15472	2.1
71.04944	0.9
72.17899	0.7
73.02898	0.8
79.05482	3.3
81.03415	9.5
85.02904	5.0
86.13937	1.0
91.05462	2.9
95.04995	1.2
97.02896	4.1
103.05468	1.9
104.68397	0.7
105.07024	2.1
107.04359	1.0
107.04951	8.8
109.02884	1.0
109.06522	0.8
115.05457	6.5
117.07020	17.8
119.08556	0.9
121.06521	0.7
123.04428	2.2
124.05184	1.8
127.03898	1.5
129.06999	2.9
131.08568	3.2
133.06494	1.2
141.06953	1.0
142.96602	0.7
143.04918	1.8
144.05678	1.8
144.06653	0.9
145.02864	0.7
145.06482	36.7
147.04401	1.1
147.08017	0.8
152.04677	1.6
153.05496	1.1
155.06009	5.6
155.07112	0.8
156.05690	7.8
157.06468	1.8
159.08025	4.5
161.06013	2.1
163.03899	0.9
167.07042	37.0
168.07410	1.0
168.47420	0.9
173.05986	61.3
174.06451	0.8
175.03822	1.4
175.07526	2.2
177.05484	1.1
180.08659	2.1
183.06528	1.0
184.05301	1.1
187.07571	5.8
190.06252	36.9
191.06931	2.3
193.08644	1.3
195.06494	0.9
202.06322	4.3
202.07932	0.7
203.07030	6.1
205.08604	100.0
206.08955	1.6
207.06445	1.6
217.08611	40.9
219.08203	0.9
219.10144	4.0
223.09639	2.8
235.09642	30.8
247.07487	1.6
247.09700	6.8
248.08304	1.6
265.10715	45.8
266.10864	0.8
269.08148	1.4
271.09610	2.1
276.07620	1.2
279.10168	1.3
290.09332	0.8
291.10141	1.3
299.09158	1.5
307.09683	1.2
315.08627	4.7
321.07413	1.2
323.12817	1.8
330.10974	6.7
331.11700	3.0
337.10757	1.0
339.12244	1.8
351.12247	2.7
353.10306	1.2
369.13031	1.2
371.14905	2.4
383.14874	8.6
401.15912	14.4
452.56503	0.8
480.60736	0.8
611.92688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.05305	1.4
55.05519	16.5
57.03430	6.0
57.07062	2.4
59.02274	1.3
61.02921	2.9
65.03936	2.4
67.05508	70.7
69.03416	2.7
69.07076	11.3
71.05002	20.0
71.58524	1.6
79.05052	2.0
79.05498	33.4
81.07063	100.0
83.04978	4.8
83.08614	8.9
85.06544	6.6
91.05485	39.9
91.05950	0.8
93.07049	36.8
95.04970	3.6
95.08614	26.8
97.06519	4.7
97.10138	2.2
105.07053	16.2
107.08608	23.6
109.06546	2.8
109.10164	15.1
111.08133	2.1
117.07005	6.4
119.08578	12.0
121.10150	18.6
123.08099	1.9
123.11707	12.8
131.08589	9.1
133.10138	15.7
135.11688	12.5
138.37758	1.6
145.10144	3.4
147.11716	4.2
149.13248	6.6
151.11188	6.8
159.11671	8.0
161.13220	3.1
169.10095	1.8
171.11601	2.2
175.03940	1.6
177.12741	2.6
179.14279	1.5
183.13843	3.5
187.13295	4.1
227.16367	2.8
251.07069	3.8
253.08589	7.8
257.17505	1.8
261.22083	2.6
267.10175	6.4
269.17450	5.3
296.08453	1.7
301.20129	19.0
323.16431	3.9
335.25824	28.1
336.25992	1.9
375.19553	2.1
411.32190	1.8
485.36386	2.6
503.37329	83.0
504.37238	3.3
517.38757	4.0
529.38739	14.4
561.41577	72.2
562.41663	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01880	10.0
55.05512	28.0
56.90048	1.9
57.03434	21.1
57.07071	3.7
59.05009	2.8
61.02923	6.7
65.03939	5.0
67.05505	90.6
69.03420	3.8
69.07074	25.9
71.01328	3.1
71.04964	5.7
71.57636	2.5
71.57999	3.1
76.24612	2.0
79.05495	73.6
79.05962	3.5
81.03417	17.4
81.07060	75.5
83.01347	2.6
83.04973	20.4
83.08633	14.8
85.02897	11.3
85.06528	3.8
90.29507	2.2
91.04023	2.2
91.05485	62.0
91.06071	3.2
93.07047	85.3
95.04968	17.7
95.08613	57.2
97.02883	14.1
97.06544	10.5
97.10170	8.0
97.34229	2.2
99.04443	2.9
99.08110	2.8
103.05466	3.0
105.07020	33.5
107.04959	11.6
107.08600	44.1
109.06514	5.3
109.10166	29.2
111.04425	15.6
111.08107	4.0
115.05404	2.9
117.06992	16.7
119.08583	28.8
121.06492	3.8
121.10143	29.6
122.10344	2.0
123.08076	6.5
123.11699	8.4
125.05979	3.3
125.09616	6.0
127.03976	2.3
129.06970	5.4
130.07759	2.5
131.08572	22.3
133.10127	22.4
135.08052	5.8
135.11697	32.7
137.09637	3.0
137.13252	4.0
143.08627	5.9
145.06467	2.9
145.10124	31.4
147.08046	4.0
147.11688	11.9
149.09657	5.8
149.13246	7.5
151.11243	2.9
153.12721	7.0
155.08534	6.5
157.10187	3.4
159.11729	7.7
161.13248	4.5
163.11195	24.7
163.14767	3.8
169.10173	2.6
171.07968	2.7
171.11644	4.4
173.09625	8.0
173.11879	2.2
173.13324	4.4
181.12158	10.3
191.10689	8.4
209.11716	35.1
209.13571	3.0
215.06987	2.8
226.98866	2.5
227.12810	14.6
229.14293	2.3
233.18822	2.4
243.21057	4.8
253.08618	2.8
259.20645	2.3
261.22122	16.6
267.10083	4.7
273.22211	2.2
283.15393	60.6
284.15610	2.4
301.16476	39.3
317.24744	3.0
321.14685	3.1
322.15195	4.6
333.24121	4.6
335.25809	100.0
336.26187	3.7
433.31116	4.2
451.32062	9.7
469.33102	9.3
525.35858	13.6
543.36884	89.1
544.37262	4.9
561.37799	39.5
573.88647	2.4
740.01550	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.6
55.01872	5.9
55.05516	26.6
57.03442	17.5
60.41744	2.0
61.02928	4.8
65.03940	4.6
66.04758	2.0
67.05512	89.8
67.05875	5.2
67.19639	2.1
68.95297	1.9
69.03435	6.4
69.07081	29.2
71.04983	4.1
71.58327	2.9
73.02932	2.6
79.05054	4.1
79.05500	65.9
81.03414	6.0
81.07066	74.9
83.04989	15.6
83.08604	12.8
85.02910	7.3
85.06514	3.8
87.33688	2.3
91.03965	2.7
91.04964	4.2
91.05491	56.3
93.07054	71.8
95.04962	18.1
95.08617	50.7
97.02891	7.3
97.06551	11.0
97.10188	6.1
105.07038	35.0
107.04977	13.4
107.08604	38.8
109.06534	8.2
109.10168	31.9
111.04436	14.8
111.08093	3.3
117.07018	17.6
119.08578	28.7
121.06485	3.8
121.10158	29.3
123.08104	5.7
123.11685	6.7
125.09612	3.4
127.03992	2.4
129.07033	7.9
131.08592	24.1
133.06538	2.8
133.10158	25.2
135.04456	2.4
135.08080	5.0
135.11720	25.1
137.09637	4.0
141.07144	2.3
143.08578	8.5
145.06494	3.9
145.10144	30.1
147.08034	4.8
147.11690	17.1
149.09624	6.9
149.13255	7.3
151.11206	6.0
155.08562	4.4
157.10147	6.4
159.11719	11.2
161.09669	4.0
161.13255	7.0
163.11211	16.0
163.14789	2.2
165.12798	2.9
167.32857	2.1
171.11713	4.7
173.09674	8.4
173.11778	3.0
173.13293	7.2
173.68221	2.0
175.14844	2.8
177.12856	2.8
181.10088	2.7
181.12263	3.2
183.11838	2.8
185.13287	4.5
187.11234	4.1
187.14781	3.9
189.11220	2.3
191.10678	8.8
195.11874	4.1
201.12827	2.3
209.11723	27.4
211.14932	2.6
227.12859	4.3
227.16441	3.5
229.14348	3.6
238.40825	2.6
243.21126	3.6
253.14368	6.7
253.19414	2.7
255.15996	4.0
259.20532	2.8
261.22144	13.8
267.15826	3.5
273.22070	4.8
283.15417	94.4
283.20337	3.8
285.16962	3.3
289.21857	2.6
301.16418	8.3
301.21622	3.1
315.23190	6.8
317.21246	3.7
317.24777	3.7
333.24277	3.0
335.25900	74.1
336.26068	5.0
433.30997	7.8
451.32111	15.1
469.33121	12.3
487.34229	4.3
525.35907	22.3
543.36816	100.0
561.37964	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	757.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.1
53.98306	3.5
55.01852	5.7
55.05514	18.2
55.68379	3.2
57.03424	6.5
57.07079	10.2
61.02921	4.3
67.05501	30.6
69.03436	22.4
69.07069	51.8
71.04988	6.2
71.56510	4.7
79.05504	9.8
81.03426	20.8
81.07063	80.7
83.08620	21.8
85.02914	56.0
85.06533	11.6
87.00838	25.8
91.05475	11.3
93.07049	22.8
94.51250	3.5
95.04948	7.5
95.08608	100.0
97.02892	24.9
97.06543	8.3
97.10159	23.3
99.04452	11.0
99.08124	5.9
105.01861	23.4
105.07029	12.1
107.08598	24.9
109.02892	20.0
109.10162	49.4
111.11727	13.6
119.08597	8.3
120.09064	3.5
121.10149	18.7
122.38696	3.6
123.04397	4.4
123.11719	23.2
125.13271	7.7
127.03922	42.5
129.12773	3.9
131.08571	3.7
133.10126	6.0
135.08060	5.8
135.11688	12.2
137.13277	15.2
145.04956	13.7
145.10272	3.7
147.04370	5.3
147.11674	4.2
149.13255	17.0
151.14822	21.3
157.10156	4.8
159.02866	4.3
159.11642	6.1
161.05963	3.8
163.14809	11.3
165.09155	9.0
165.16333	10.3
167.07021	5.6
173.13336	3.8
177.05466	6.1
178.10402	3.7
179.17987	8.1
183.17471	4.9
195.11702	3.9
217.08293	3.4
231.04985	11.2
249.06030	3.6
249.25790	4.8
256.32248	3.5
267.26855	6.5
275.27304	10.9
281.28265	5.0
287.05493	5.8
293.28513	33.2
311.29523	37.4
335.29303	3.8
383.29541	7.8
401.30484	7.0
419.31680	7.0
443.54459	3.5
460.11316	5.0
487.30191	3.4
505.31482	9.6
523.32764	4.9
525.87860	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	757.2187
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03926	0.3
57.03447	1.3
58.30399	0.1
59.04994	0.2
61.02928	1.5
68.99776	0.3
69.03394	0.6
70.00021	0.5
70.06576	0.2
71.01339	0.1
71.04999	8.3
73.02886	0.5
73.96287	0.1
75.04461	0.3
81.03397	0.3
83.05008	0.6
83.05379	0.2
85.02911	11.3
87.04462	0.3
91.03964	0.9
91.57079	0.1
95.04935	0.2
95.57040	0.1
97.02901	1.3
99.04431	0.2
105.03381	0.2
106.04553	0.1
107.04982	0.2
109.02858	0.4
111.00771	0.6
111.04413	0.4
121.02878	2.2
127.03918	0.7
129.05487	2.7
133.02794	0.3
137.02341	1.2
143.05045	0.2
145.04942	0.3
145.06476	0.2
147.04398	0.3
147.06487	0.7
153.00691	0.2
153.01834	2.6
154.75163	0.1
157.06487	0.2
159.65366	0.1
161.02313	0.2
163.03952	0.2
165.01839	1.7
168.07999	0.1
171.04306	0.2
183.02921	0.7
185.05882	0.2
189.03691	0.1
189.05389	0.1
195.02847	0.2
201.05467	0.3
213.05479	1.0
217.51343	0.1
229.04958	0.5
231.06494	0.5
241.04916	0.4
257.04541	0.3
258.05270	0.7
259.05905	0.2
269.04431	0.2
271.06061	0.2
274.04718	0.2
283.06024	0.4
285.03812	0.2
286.04645	0.2
287.05515	100.0
288.05832	2.0
297.07623	0.2
299.05490	3.2
300.06299	0.3
303.05008	14.6
304.05377	0.2
304.84213	0.1
311.05502	0.5
311.08813	0.2
313.07056	0.3
324.06308	0.2
325.06915	0.9
326.07370	0.2
329.06567	2.6
337.07184	0.3
339.08694	0.6
349.06961	0.2
353.06628	1.6
365.06592	0.4
367.08063	0.2
377.06577	0.3
383.07788	0.5
395.07642	0.7
413.08685	0.6
431.09589	0.7
449.10852	20.0
450.11200	0.7
457.11505	0.2
637.17474	0.3
691.18622	0.4
739.20892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2186
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03939	0.2
55.01852	0.3
55.05490	0.1
57.03439	1.4
61.02894	0.4
68.99798	0.2
69.03442	1.2
71.01353	0.2
71.04998	7.3
71.06931	0.3
73.02897	0.3
75.04461	0.3
81.03400	0.4
83.04955	0.5
85.02910	10.6
87.04427	0.3
91.03972	0.2
97.02879	1.0
99.04407	0.1
109.02863	0.5
111.00779	0.4
111.04402	0.4
121.02869	2.2
127.03926	0.9
129.04617	0.2
129.05482	2.5
133.02835	0.4
137.02310	0.5
145.04945	0.6
147.04411	0.3
147.06511	0.4
153.01836	2.2
153.83231	0.1
157.06416	0.2
165.01878	1.2
165.32504	0.2
171.04367	0.2
183.02901	0.6
185.05960	0.4
213.05472	0.9
229.04945	0.2
231.06525	0.8
241.04918	0.7
258.05331	0.8
259.05954	0.3
271.06079	0.2
283.05859	0.2
287.05508	100.0
288.05823	2.5
299.05591	0.2
303.01572	0.2
303.04971	3.4
313.07114	0.5
329.06653	0.4
353.06482	0.2
397.09131	0.2
433.11166	0.2
449.10828	19.0
450.11163	0.8
540.07648	0.2
611.16431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2188
Annotation	Kaempferol 3-(3Rha-glucosylrutinoside)
Peak:m/z	Relative Intensity
53.03944	0.8
55.01849	1.1
57.03429	2.6
61.02926	1.8
63.79227	0.9
68.52345	1.0
69.03420	4.3
70.69559	3.0
71.04992	7.8
73.02915	1.2
81.03415	2.3
83.04973	1.0
85.02904	17.3
91.03941	1.0
95.04974	1.5
97.02885	3.0
98.97580	1.9
101.60757	0.9
103.03940	1.0
107.04960	1.3
109.02876	2.1
119.04943	3.8
121.02867	14.7
127.03896	2.4
129.05437	2.5
137.02318	2.1
137.05988	1.2
140.93636	1.0
142.05721	0.9
145.02795	1.5
147.04419	1.7
153.01862	2.3
165.01852	3.0
175.03935	1.2
179.03369	1.6
183.02899	1.5
189.01840	2.9
191.03418	2.1
195.02910	2.4
203.03444	3.3
207.02907	4.1
217.05054	2.2
219.02872	2.7
223.07445	1.3
228.03824	1.1
229.04973	3.7
233.04483	1.6
255.02922	2.0
257.04312	1.3
258.05038	1.3
259.05988	1.3
267.06461	2.5
268.07352	2.5
269.04544	1.1
270.05051	1.0
271.06018	2.1
275.20514	1.0
279.06461	2.6
281.08069	4.7
283.06042	17.3
284.06647	2.3
285.04092	1.3
287.05521	100.0
288.05750	2.2
294.05249	9.3
295.06015	36.0
295.09357	2.1
296.06702	3.5
297.07483	5.6
299.05527	3.7
303.04944	9.1
307.06015	24.0
308.06851	9.4
309.04053	1.5
309.07535	10.4
313.07071	11.7
319.06027	3.5
320.06738	2.4
321.03989	0.7
321.07590	15.1
322.08237	6.2
323.05704	1.7
323.09128	3.8
325.07053	52.8
329.06543	3.9
333.07602	4.3
335.05515	1.5
335.09122	6.7
336.06210	1.5
337.07071	41.1
339.08502	1.8
347.09296	5.6
349.07071	20.6
350.07782	1.4
351.08658	12.4
353.06409	1.0
355.08121	9.0
357.07379	1.2
359.08426	1.1
361.07022	9.4
361.10828	1.5
363.08713	3.0
365.10297	4.7
367.08124	3.1
373.06900	2.8
374.07672	1.2
375.08670	4.8
379.08148	27.5
385.07263	1.9
387.08545	2.0
389.10245	1.4
391.08099	14.1
393.09479	1.4
397.09000	2.0
403.08182	15.2
409.09290	10.4
415.09537	1.8
417.09537	1.8
421.09198	9.7
427.09900	4.3
439.10345	6.9
445.09302	1.8
449.10776	20.9
457.11328	12.7
463.10101	3.5
469.09653	1.5
475.11954	3.8
481.11118	4.8
487.11856	4.7
499.12292	6.1
505.11169	1.4
509.13242	1.2
511.12207	3.6
517.13635	5.4
523.12372	6.4
529.13367	3.1
541.13501	14.5
559.14453	5.6
571.14581	12.0
577.15265	6.4
583.14636	5.0
589.15588	11.1
595.16815	1.6
601.15540	9.1
607.16254	1.5
619.16669	35.1
620.16479	1.5
637.17371	8.1
643.16327	6.5
661.17688	4.3
667.16193	1.2
673.17468	8.4
685.17670	5.4
691.18610	1.8
703.18787	8.0
721.20374	6.9
739.20538	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	757.2184
Annotation	Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03945	0.4
55.05496	0.5
57.03438	2.4
60.61541	0.2
61.02927	0.9
65.11919	0.2
67.05484	0.2
68.99799	0.4
69.03439	1.8
71.01357	0.3
71.04996	12.9
71.49313	0.4
73.02921	1.3
75.04474	0.8
81.03416	0.7
83.04983	3.1
85.02908	17.1
87.04472	0.7
91.03949	0.5
93.03415	0.3
95.04954	0.7
97.02902	1.4
97.06537	0.3
99.04446	0.7
103.03973	0.2
109.02892	0.7
111.00836	0.7
111.04462	2.1
113.06013	0.5
117.05523	0.5
121.02879	0.6
123.04432	0.3
127.03942	1.0
129.05493	4.9
135.04410	0.4
137.02341	2.4
137.56850	0.2
145.04961	0.7
147.06508	2.0
149.02296	0.4
149.05917	0.2
153.01825	2.5
153.05498	0.8
157.04964	0.2
159.06476	0.2
163.03949	0.5
163.06023	0.4
165.01839	1.6
166.02608	0.3
171.06580	0.2
173.05841	0.2
183.02913	0.9
183.04308	0.3
183.93634	0.2
195.02794	0.3
201.05444	1.4
201.07129	0.2
219.06567	0.3
229.04980	3.2
239.09164	0.9
247.06004	0.7
257.04401	2.3
257.10135	0.4
258.04810	0.2
274.04822	0.8
275.05530	0.2
275.11340	0.5
285.03918	1.0
287.05505	3.0
291.29034	0.2
291.53500	0.2
303.05002	100.0
304.05353	2.5
311.29398	0.2
315.05148	0.7
345.06067	0.8
369.05991	0.4
413.08524	0.5
449.10599	1.5
465.10327	2.2
573.40234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01854	0.6
57.03402	0.6
59.80132	0.2
61.02895	0.7
63.34470	0.3
65.03939	0.3
68.99771	0.6
69.03433	5.7
69.22781	2.1
71.04965	0.5
73.02892	0.9
75.04441	0.2
78.04678	0.3
79.05462	0.5
81.03422	5.1
85.02908	6.2
87.00837	2.2
89.03922	1.3
91.05491	1.5
93.07024	0.5
95.01328	0.5
95.04928	0.5
97.02899	2.8
99.04462	1.7
101.02372	0.2
102.04691	0.4
103.03932	0.6
103.05479	2.5
105.01814	0.7
105.07023	1.7
106.04144	0.6
107.04905	0.5
109.02889	3.7
115.03920	0.3
115.05439	0.6
117.03362	3.1
118.04157	1.4
119.04910	1.0
121.06514	1.8
123.00796	1.6
123.04401	0.4
125.06020	0.3
127.03925	5.6
127.05412	0.5
128.06175	0.4
129.01823	0.5
130.04120	0.9
131.04932	2.9
132.05711	0.9
133.06534	1.4
134.03625	2.0
135.04398	0.5
139.05435	0.3
144.05692	0.4
145.02840	2.0
145.04910	1.3
145.06477	0.5
146.03584	0.4
147.02879	0.3
147.03261	0.3
147.04419	2.8
148.05161	1.0
149.02383	0.4
149.05977	2.4
151.03918	0.4
151.07544	0.4
152.01038	1.7
153.01804	1.0
153.05351	0.2
154.06226	0.8
155.04926	5.5
155.06114	0.2
156.05472	0.3
159.02864	0.6
159.04353	0.4
160.05167	0.5
161.05991	3.5
163.07516	0.5
165.09091	0.4
166.06242	0.3
167.07040	3.0
170.02124	0.5
171.04361	0.6
172.05165	0.8
173.05960	0.3
175.03912	0.4
176.04662	1.1
177.05498	3.0
178.06259	0.7
179.07004	0.5
181.08568	0.6
181.85535	0.3
182.09410	1.5
183.04417	4.2
184.05148	0.6
185.05957	0.6
187.05989	1.0
187.07562	1.7
190.06357	0.2
191.07030	3.7
192.07744	1.0
193.08598	3.6
195.04498	0.3
196.05226	0.3
200.04666	1.6
201.05473	0.4
207.06647	0.3
209.08128	1.8
210.08881	2.3
211.03899	3.6
212.04655	0.7
213.05437	0.8
215.07033	0.3
225.05389	1.1
228.04196	1.9
229.04950	1.0
230.05652	0.5
231.05043	0.4
231.94821	0.2
239.03403	4.8
240.04114	0.9
241.04985	1.5
243.06432	0.6
245.08107	0.5
251.03206	0.4
253.04990	0.4
255.02995	0.3
256.03677	8.5
256.07266	0.9
257.04196	0.5
267.02866	0.7
268.03622	1.1
269.04410	2.0
271.06018	74.0
272.06396	1.8
275.09171	0.6
282.05048	0.2
284.06857	0.2
285.03940	0.9
285.07593	0.8
286.04706	3.2
297.07532	0.6
299.05505	36.5
300.06250	8.4
301.07074	16.4
302.07321	0.4
311.05457	0.6
329.06473	0.3
341.06705	1.1
343.08273	0.4
355.08191	0.5
359.25217	0.3
419.54086	0.2
460.94043	0.3
476.10559	0.3
479.13382	3.1
491.13373	15.2
492.13617	0.5
509.14450	100.0
510.14771	4.3
529.09479	0.3
551.15460	0.8
577.13324	0.6
612.90594	0.3
671.19568	0.7
737.70837	0.3
757.19733	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	756.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01870	3.1
55.05265	0.8
55.05514	13.3
57.03441	6.3
57.07080	0.8
57.69089	0.6
59.04992	0.7
65.03936	1.7
67.05167	1.1
67.05508	14.4
69.03419	3.4
69.07066	5.2
70.99995	2.2
71.05000	4.3
73.09003	0.7
79.05502	16.0
81.03423	41.9
81.07060	14.8
83.04989	4.1
83.08627	13.5
85.02916	1.5
85.06542	1.8
91.05479	15.0
91.06008	1.5
93.07049	14.5
95.04975	18.0
95.08604	8.8
97.02914	1.6
97.06541	2.6
97.10175	13.6
99.04457	0.8
103.05465	0.7
105.07043	11.5
107.04964	12.5
107.08594	11.0
109.02833	0.7
109.06515	7.6
109.10152	5.7
111.04482	1.6
111.08107	3.6
115.05421	1.3
117.07010	4.2
119.08591	9.9
121.06510	8.6
121.10165	6.8
123.04453	1.6
123.08086	2.9
123.11700	1.0
125.09624	11.5
125.47901	0.8
129.07027	7.5
131.04941	1.8
131.08569	8.9
133.06487	2.8
133.10159	5.1
135.08043	4.7
135.11697	2.4
137.05986	1.2
137.09596	2.2
141.07053	1.5
141.88260	0.7
142.07802	1.7
143.08562	2.3
143.10712	1.0
145.06505	4.2
145.10124	4.3
147.04393	1.5
147.08051	4.7
147.11682	5.6
149.09621	4.5
153.09079	2.7
155.08540	1.8
157.06509	1.6
157.10104	6.1
159.08080	2.1
159.11682	1.4
161.05969	1.4
161.09654	1.8
163.11221	2.6
165.12758	1.8
167.08600	1.4
167.10675	1.5
169.10143	2.1
171.08038	2.1
171.10184	1.5
171.11696	2.2
173.09645	1.0
173.13286	1.8
175.11154	4.5
177.12755	1.1
181.10197	1.0
183.08009	1.1
183.11682	1.0
185.09544	1.4
185.13333	1.2
187.11205	1.8
187.14905	1.3
189.09465	0.8
189.11221	4.9
189.12733	1.5
191.14314	1.4
193.12273	15.1
197.09676	0.9
197.13274	1.1
199.11176	1.2
203.14304	0.8
205.12216	1.7
209.13225	1.1
211.11264	0.9
211.13202	1.0
213.12791	1.9
215.14290	2.7
217.12418	1.0
219.13834	2.5
225.12805	1.0
227.12825	2.1
231.13924	1.3
233.15381	4.3
235.13271	0.8
237.12709	1.3
241.14352	0.8
249.14874	1.7
255.13840	1.9
259.13330	2.5
267.15927	37.2
268.16141	0.8
273.14767	7.3
273.17090	0.7
275.16531	1.1
283.17203	1.1
287.16574	1.0
293.17398	1.0
331.20493	1.0
339.23196	2.1
349.21771	4.4
357.24200	2.4
367.22708	13.1
385.23776	21.7
386.23862	1.0
403.24902	6.7
423.25443	1.0
439.74728	0.9
441.26282	8.5
442.27835	0.8
459.27438	100.0
460.27924	4.9
477.28513	89.4
478.28873	4.0
491.30075	13.8
491.36575	1.4
501.28528	2.9
509.31229	5.6
541.33783	1.2
567.29553	1.5
696.25970	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97593	0.3
61.97119	0.3
62.18200	0.4
70.01652	1.2
76.34394	0.3
81.03408	0.5
81.07040	0.4
91.05460	0.5
93.07050	0.4
109.10187	0.3
127.34631	0.3
173.02086	1.9
190.02414	4.9
191.03148	16.9
207.06656	0.5
215.03246	1.6
229.04668	0.9
230.05521	1.4
271.06125	0.5
311.05389	0.4
341.10065	0.5
351.04727	0.8
353.09991	0.6
365.06378	1.7
379.07870	3.5
381.09430	12.8
397.08990	100.0
398.09424	2.8
399.10693	0.4
481.20755	0.3
772.59290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75859	0.1
53.03939	0.2
55.01876	0.3
55.05506	0.2
57.03433	0.3
57.32320	0.1
61.02936	0.3
63.02374	0.2
65.03959	0.3
67.05476	0.3
67.42064	0.1
69.03436	1.0
71.58249	0.2
72.08179	0.1
73.02951	0.2
74.16409	0.1
79.05496	0.2
79.81302	0.1
81.03442	0.6
81.07061	0.3
83.04986	1.5
85.02911	2.1
89.03920	2.6
91.05485	0.5
93.07060	0.2
95.04979	0.1
95.08578	0.2
97.02895	1.0
99.04451	0.2
103.05477	0.1
105.03412	0.4
105.07021	0.2
106.04215	0.3
107.04968	0.3
107.08620	0.1
108.51965	0.1
109.02887	0.3
109.10162	0.3
111.04448	1.7
111.08008	0.1
112.07535	0.1
117.03390	8.6
117.07056	0.3
118.03683	0.1
119.04847	0.1
119.08603	0.2
121.02876	3.5
121.03878	0.2
121.10128	0.2
123.04446	0.2
125.06074	0.1
127.03922	0.6
129.05484	0.3
131.04932	0.3
131.08575	0.2
133.02875	0.4
133.10121	0.1
134.03636	0.6
134.04517	0.1
135.04462	0.6
135.11681	0.1
137.02348	3.0
137.05978	2.2
141.07004	0.3
145.02853	28.6
146.03204	0.3
147.04416	0.4
147.08040	0.1
149.02356	1.9
149.05991	3.0
151.03842	0.2
153.05455	0.1
161.05966	0.2
162.03172	0.2
162.47992	0.1
163.03888	0.4
167.03439	0.4
167.07034	1.8
169.06453	0.5
173.05974	0.5
175.03917	0.2
175.07491	0.2
177.05478	58.5
178.05850	0.8
179.07159	0.1
181.04964	0.7
181.06459	0.3
186.05518	0.5
187.07494	0.4
189.05608	0.2
191.06976	0.2
195.06438	0.2
197.05980	1.7
201.05457	0.2
215.07019	1.1
217.08540	0.1
219.06566	0.2
225.05424	0.8
229.04861	0.1
231.06522	2.0
233.08188	0.2
235.09602	0.2
242.05772	0.6
243.06569	0.5
247.06024	0.5
253.05040	0.2
269.08102	0.3
271.06024	100.0
272.06351	2.4
287.09125	0.4
305.10214	12.4
306.10645	0.3
323.11267	12.6
324.11511	0.3
387.14471	0.2
417.15329	0.4
433.11356	0.4
477.55780	0.1
593.16382	0.4
755.25110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01848	0.8
57.03407	1.0
61.02896	0.8
63.02366	0.3
65.03931	0.2
67.05473	0.3
68.99760	1.0
69.03432	7.0
69.60035	0.9
69.60441	0.5
69.79762	0.2
71.01332	0.2
71.04966	0.8
73.02928	1.3
73.31411	0.2
78.04653	0.3
79.05463	0.5
81.03418	5.7
81.07024	0.6
83.01376	0.2
85.02910	8.5
87.00829	2.6
87.04443	0.3
89.03904	1.9
91.03950	0.3
91.05470	1.5
93.03439	0.3
93.07027	0.5
95.01309	0.4
95.04939	0.6
95.08597	0.5
97.02891	2.8
98.20744	0.4
99.04454	1.8
101.02348	0.4
102.04700	0.4
103.03927	0.6
103.05470	3.1
105.01849	1.0
105.03378	0.3
105.07043	2.1
106.04131	0.4
107.04942	0.5
109.02882	3.9
115.05421	0.8
117.01865	0.3
117.02605	0.4
117.03375	5.5
118.04183	1.5
119.04972	0.4
120.05740	0.3
121.06519	1.7
123.00767	0.8
123.04401	0.3
125.05985	0.4
127.03923	7.1
127.05364	0.5
128.06200	0.5
129.01797	0.7
129.06956	0.6
130.04121	0.8
131.04942	3.4
132.05698	0.8
133.06509	1.6
135.04381	0.5
139.05478	0.3
145.02847	2.3
145.04985	1.3
145.06459	0.8
146.03607	0.7
147.02896	0.5
147.04379	0.9
148.05186	1.0
149.02313	0.5
149.05957	2.3
151.07561	0.5
153.05399	0.3
153.09010	0.3
154.06256	1.0
155.04916	7.8
155.06032	0.6
156.05608	0.2
157.06485	0.5
159.02872	1.4
159.04254	0.4
159.11679	0.2
160.05249	0.4
161.05992	3.7
163.03877	0.3
163.07599	0.5
165.01823	0.3
167.04915	0.6
167.07036	4.0
168.05698	0.6
171.04364	1.3
173.06004	0.5
173.25954	0.2
175.03917	0.8
176.04683	1.8
177.05457	2.2
178.06175	0.4
179.06969	0.6
180.07777	0.5
181.08572	0.8
182.09421	1.6
183.04420	8.9
184.05058	0.4
185.05980	2.7
187.06049	0.7
191.07030	4.4
192.07845	1.9
193.04976	0.3
193.08600	3.8
195.04411	0.7
196.05161	0.6
197.05951	0.3
209.08034	1.7
210.08881	3.0
211.03900	5.2
212.04684	1.6
213.05496	0.6
223.03925	0.6
224.04715	0.3
225.05522	0.4
231.05020	0.6
239.03403	12.4
240.04213	1.8
241.04959	4.0
243.06604	0.4
251.03413	0.6
253.05023	0.6
254.05775	1.2
265.05045	0.5
267.02969	1.1
268.03693	1.4
268.82574	0.2
269.04453	78.1
270.04791	1.9
281.04382	0.5
282.05209	0.5
283.06033	0.5
295.06064	0.6
297.03946	39.7
298.04697	7.2
299.05496	18.2
300.05862	0.4
309.03839	0.6
310.04596	0.3
339.05032	0.9
353.06619	0.6
412.69189	0.2
443.86380	0.2
477.11761	3.7
489.11832	15.1
490.12167	0.6
507.12894	100.0
508.13177	3.4
549.13910	0.4
575.11639	0.6
669.17932	0.6
755.18213	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	753.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01867	5.2
55.05512	13.7
57.03417	3.6
57.07070	4.9
59.04985	2.7
61.02929	2.6
67.05506	17.3
69.03433	23.3
69.07072	100.0
70.06585	1.9
71.04988	4.6
71.56668	2.5
72.08130	2.0
73.02910	2.7
79.05492	14.8
80.69587	1.6
81.03423	12.9
81.07063	64.2
83.04983	3.5
83.08611	7.3
85.02910	36.7
85.03413	2.1
85.06548	8.8
87.00831	11.2
91.05479	9.0
93.07056	30.2
94.07395	1.9
95.04977	4.7
95.08611	41.9
97.02897	14.0
97.06535	9.3
97.10143	5.7
99.04437	5.4
99.08110	9.5
105.01851	8.1
105.07047	18.1
107.08595	33.6
109.02907	14.5
109.06486	3.3
109.09476	2.1
109.10164	25.0
109.43990	1.9
111.08100	8.7
111.11728	29.4
117.07011	1.9
119.08585	15.6
121.06490	2.1
121.10143	22.5
123.08034	2.0
123.11712	20.9
124.07553	2.0
125.06038	2.1
125.09598	2.5
127.03924	26.3
129.01836	2.3
129.12758	2.0
131.08533	5.7
133.10132	12.7
135.11705	41.8
135.26900	1.7
137.05981	4.1
137.13196	5.4
139.11186	21.6
145.04955	7.5
145.10156	9.3
147.11681	10.5
149.13266	9.9
151.11192	4.8
151.14867	2.4
153.12750	39.1
157.10173	1.8
157.12247	2.7
159.02820	4.2
159.11694	16.8
161.13234	6.4
163.14815	4.7
165.12769	3.4
173.13248	3.2
175.14833	3.5
177.05449	5.5
177.16402	4.1
187.14806	5.3
201.16447	1.8
213.18521	3.7
231.05026	3.6
239.20003	4.9
271.24222	4.5
277.25232	2.5
277.92987	2.0
283.13318	1.9
289.25302	18.1
295.26324	27.2
307.26312	53.9
307.29877	2.6
308.26593	2.9
316.42288	1.7
325.27405	70.9
326.27722	3.1
413.15604	2.3
443.95062	1.9
537.29932	2.1
555.31500	2.3
573.32874	2.0
717.45355	3.5
753.16162	3.0
753.43280	4.1
753.94031	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	753.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.01839	1.3
55.05487	0.5
57.03402	1.3
61.02892	1.0
63.37598	0.4
68.99776	0.6
69.03428	8.5
71.04948	0.8
71.32975	0.4
71.53882	0.3
71.57803	0.5
73.02881	1.3
77.36228	0.4
79.05463	1.0
81.03423	6.7
81.07015	0.6
85.02432	0.7
85.02903	9.2
87.00816	2.1
91.05487	2.4
93.07024	0.9
94.93858	0.4
95.01335	0.9
95.04960	0.8
95.08601	0.7
97.02364	0.5
97.02895	4.6
99.04472	2.3
101.02353	0.4
102.04675	1.5
103.03912	1.1
103.05482	4.4
105.01855	1.2
105.07027	4.5
107.04940	1.0
107.08561	0.7
109.02869	5.2
115.05434	0.5
118.04131	1.2
119.04890	1.1
121.06480	0.4
123.00800	2.8
123.04398	0.5
127.03915	6.2
128.06206	1.1
130.04131	1.4
131.04027	0.6
131.04933	10.7
131.08534	0.6
133.06479	2.6
135.04376	1.5
135.07983	0.4
136.60159	0.4
137.05981	1.2
139.03810	0.4
141.07008	0.5
145.02887	0.4
145.04941	1.2
145.06395	0.8
145.10089	0.5
146.03635	4.0
146.07277	0.5
147.04396	3.4
148.05177	1.0
149.02271	0.5
149.05972	0.6
151.07552	0.7
152.01065	1.8
156.05664	0.8
159.02866	0.9
159.08047	0.5
161.05994	6.5
162.06802	3.4
163.07550	8.1
168.05670	1.0
170.02065	0.4
171.08052	9.0
177.05487	0.7
179.06981	1.4
181.06470	1.1
183.08040	1.3
184.05147	1.9
185.05861	0.5
187.06042	1.4
196.05130	0.6
197.06076	0.6
199.07532	0.9
209.06007	2.8
211.07498	1.7
212.04695	1.1
219.05173	0.4
222.08865	1.2
223.03879	0.8
225.05421	0.5
227.06987	1.0
229.08563	1.3
239.03351	0.7
239.07045	0.9
240.04140	1.5
240.07747	2.9
241.04890	0.9
252.04170	1.4
253.05032	0.4
255.06525	100.0
256.06934	2.8
268.07358	0.8
269.04456	0.9
269.07858	0.8
270.05231	0.5
281.08087	1.8
283.06018	37.3
284.06766	12.5
285.07550	14.4
295.06046	0.7
321.07684	0.6
338.20035	0.5
367.08295	0.5
385.10837	0.9
401.10236	0.4
413.10257	4.1
430.10693	0.6
445.12839	27.6
446.13358	0.8
463.13834	1.0
487.13947	0.7
505.14951	69.2
506.15283	2.7
546.26508	0.5
547.15759	1.2
667.20087	5.7
668.21069	0.6
709.21210	3.8
735.19366	1.2
753.20227	11.1
754.21185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79456	1.1
53.03940	1.4
53.36256	1.1
54.80134	1.4
55.01875	1.7
55.05521	11.3
57.03444	13.2
57.07079	29.0
58.70720	1.4
65.03924	2.1
67.05511	17.7
69.07071	7.7
70.56831	1.3
71.01335	2.0
71.04996	1.7
71.08632	23.7
71.58218	1.6
79.05490	11.1
81.03423	59.8
81.07065	19.0
83.04967	3.5
83.08627	19.7
85.02912	2.7
85.10182	12.1
91.05485	15.6
93.07069	8.9
95.04971	19.3
95.08610	19.5
97.02905	3.0
97.06580	1.5
97.10174	7.1
103.07563	1.5
105.07047	6.2
107.04956	5.6
107.08598	3.9
109.06535	2.6
109.10131	9.2
111.08080	4.7
115.05419	2.9
119.08604	9.9
121.06476	3.9
121.10140	6.0
123.04420	2.1
123.11716	4.4
129.07001	6.2
131.08563	6.0
133.06483	2.0
133.10100	3.3
141.01910	1.6
145.10147	2.1
147.04469	1.5
147.11673	6.0
149.09645	3.4
157.10153	7.5
161.05981	1.9
169.10133	1.3
175.11200	6.9
193.12259	24.7
203.07080	1.4
203.10835	1.6
211.13203	1.9
216.45905	1.6
219.03949	1.3
235.13344	3.9
239.23653	2.7
240.14865	1.3
257.24750	1.8
267.15930	100.0
276.14288	1.5
294.09430	1.6
298.53265	1.3
309.16833	3.4
313.27377	98.4
314.27820	2.9
315.12549	1.7
333.13467	2.1
389.15631	1.7
443.19281	1.9
505.38925	74.4
506.39026	4.8
523.39734	2.0
547.39819	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	749.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	5.0
57.03432	0.8
57.05819	1.2
59.69846	0.7
60.05653	1.9
66.91130	0.7
67.59896	0.8
69.03436	2.8
70.06585	2.0
71.07323	1.8
72.08157	1.2
72.53368	0.8
79.05496	1.7
81.03426	3.6
83.06117	2.9
85.02916	2.7
91.05505	0.8
92.05013	0.9
95.06078	1.6
96.02119	1.2
97.02903	52.0
98.97599	1.5
99.05576	0.8
105.03418	2.7
105.05810	0.9
106.06552	2.4
111.05582	10.8
112.05093	1.0
112.05836	0.9
113.07150	2.8
118.06617	0.8
120.04483	14.8
123.05571	2.2
126.06647	14.1
127.03948	1.1
127.07468	2.1
132.04468	28.5
132.08109	1.1
134.06033	10.3
137.02359	18.3
137.04723	3.3
140.08133	1.8
145.07663	2.6
146.02351	1.0
149.02475	0.9
149.07158	0.8
149.52701	0.8
150.05539	3.3
151.06169	11.6
153.01849	0.8
158.06102	1.0
163.03917	1.9
168.08833	2.8
169.09796	1.0
173.45464	0.8
176.07133	1.1
177.43864	0.8
179.04611	2.8
187.08765	2.0
202.09807	20.0
206.50391	0.8
214.09837	1.0
215.08224	1.1
216.11440	3.3
230.09320	13.5
231.07709	9.6
231.12527	1.4
232.10846	6.6
233.14040	3.5
242.09267	5.1
248.09212	1.4
257.10419	6.9
259.11932	99.0
260.12411	1.7
277.12976	40.1
284.11465	8.9
301.13986	1.9
302.12485	41.5
303.13010	1.5
319.15179	2.2
321.04135	0.9
327.09839	1.1
329.16241	1.8
333.15463	1.0
345.11093	1.4
347.29663	0.8
349.15366	1.5
355.14059	1.7
373.15054	12.7
380.13651	1.2
391.16162	17.0
395.13507	1.0
398.14697	7.9
415.17233	2.1
416.15869	1.7
433.18365	22.7
435.07120	1.2
437.15869	1.0
456.88257	1.1
495.46118	0.8
553.21442	3.5
569.20239	1.6
587.08606	1.3
595.23682	11.6
599.08990	0.9
611.08301	2.3
625.78448	0.8
629.09705	2.2
653.09113	1.0
707.24139	1.7
731.25073	1.7
749.26288	100.0
750.26404	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	747.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01873	0.5
55.05515	1.3
57.03437	1.6
57.44031	0.4
61.02930	6.0
65.03932	0.4
67.05510	5.5
69.03442	3.6
69.07079	1.3
71.04995	1.1
71.47337	0.4
71.47670	0.6
73.02925	5.2
79.05508	4.0
81.03408	2.8
81.07053	5.3
83.08625	1.0
85.02905	6.6
87.04459	0.5
91.03964	3.5
91.05477	3.9
93.07038	3.7
95.04948	1.0
95.08607	3.6
97.02896	5.7
99.04485	0.8
101.02382	2.6
105.07040	2.2
105.48553	0.4
107.08638	2.1
109.02889	1.0
109.10174	1.1
115.03956	0.7
119.08601	1.6
121.10155	2.4
123.11666	0.5
127.03932	2.3
131.08571	1.5
133.10187	1.1
135.11737	1.1
145.10197	0.8
147.11731	1.3
157.10139	0.6
159.11711	0.7
185.04254	0.5
193.12315	0.4
203.05334	0.5
203.07065	0.7
232.85696	0.4
238.28123	0.4
243.08530	1.4
251.07057	0.6
251.12724	0.9
267.10324	0.7
307.67319	0.4
323.16339	0.6
335.25989	0.5
363.74353	0.4
385.14063	1.3
469.20651	3.6
519.29291	8.7
747.42896	100.0
748.43268	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	747.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
55.37159	0.4
57.03436	2.1
61.02932	5.0
65.22187	0.4
67.05517	3.9
69.03445	3.1
69.07087	0.6
70.72000	1.4
70.72359	0.6
71.01371	0.8
73.02922	4.5
78.27032	0.5
79.05508	3.5
81.03424	4.3
81.07069	4.0
83.08617	0.6
85.02918	5.3
91.03958	2.6
91.05483	4.3
93.07063	2.9
95.04997	1.2
95.08633	2.6
95.09158	0.6
97.02904	4.5
98.21473	0.5
99.04456	1.3
101.02396	1.6
105.07042	1.9
107.04907	0.5
107.08602	1.7
109.02894	1.0
109.10179	0.9
111.04428	0.6
115.03978	0.7
117.07081	0.7
119.08611	1.4
121.10196	1.7
127.03942	2.0
131.08598	1.2
133.10172	1.1
135.11768	0.6
145.10098	0.5
147.11754	0.8
157.10086	0.6
170.92845	0.5
175.11252	0.9
193.12309	1.2
243.08466	1.5
251.12549	0.7
323.49976	0.5
328.42133	0.5
346.68686	0.5
469.20557	7.6
519.29370	5.2
721.99310	0.5
747.42957	100.0
748.43195	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	747.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01870	0.5
55.05510	3.1
56.96554	0.5
57.03445	2.2
57.07071	1.4
60.34032	0.4
61.02930	10.8
61.98913	0.3
67.05507	4.3
69.03436	4.2
69.07072	3.3
69.32097	1.0
69.32505	3.2
71.01350	0.6
71.04986	1.0
71.08646	2.1
73.02921	4.4
75.04443	0.4
79.05499	3.1
81.03422	2.1
81.03840	0.4
81.07069	6.2
83.05009	1.0
83.08624	1.7
85.02422	0.8
85.02909	11.4
85.06544	1.4
87.04446	0.4
91.03970	7.4
91.05479	3.9
93.07041	3.5
95.04959	0.4
95.08611	5.6
97.02897	7.8
97.06544	1.3
98.20799	0.9
98.97583	0.5
99.04441	0.8
99.08099	1.1
101.02361	1.1
105.07025	3.5
107.08610	4.1
109.02878	0.6
109.06522	6.0
109.10154	2.2
111.08090	1.6
115.03886	0.6
117.07021	0.5
119.08600	3.1
121.06503	0.7
121.10125	2.5
122.07306	0.5
123.08080	14.5
123.11687	1.1
125.09647	0.5
127.03951	2.2
131.08595	0.9
133.10167	2.2
135.08060	3.8
135.11693	1.0
137.09633	1.4
137.13274	0.8
139.11182	0.5
143.08569	0.6
145.04987	2.1
145.10126	1.7
147.11703	1.5
149.02417	0.7
149.09619	0.9
149.13257	1.1
151.11183	0.7
153.09247	0.4
159.11714	1.7
161.13326	0.7
163.06058	1.3
165.12772	0.8
167.14316	1.1
173.13187	0.7
175.14879	0.9
177.05453	0.5
177.12740	1.8
179.14322	26.3
193.12318	0.5
193.15968	0.7
203.07143	1.0
205.15915	1.1
213.11206	0.5
219.17426	0.6
233.18987	0.8
245.07953	0.4
247.20547	0.6
255.10158	0.5
263.20145	1.0
267.10385	1.0
275.20102	1.8
281.21182	0.5
289.25641	0.8
293.21146	1.8
303.26910	1.7
313.25177	0.9
323.18454	0.6
326.68521	0.4
331.26334	16.0
349.27368	3.6
367.24841	1.6
386.89017	0.4
393.14029	0.4
405.30081	0.6
423.31076	100.0
424.31503	3.2
447.31323	0.6
459.31491	0.7
493.31857	0.7
531.33905	0.7
549.34363	1.2
567.35083	1.4
585.36395	2.0
675.22321	1.3
691.54419	0.5
747.27667	1.1
747.40265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01868	0.6
55.05525	1.8
55.83064	0.3
57.03448	2.6
57.07066	1.2
61.02932	12.3
63.66105	0.3
67.05511	3.6
69.03436	4.0
69.07064	3.1
71.01356	0.7
71.04977	1.2
71.08642	2.1
71.56001	0.7
73.02924	5.9
79.05493	2.6
81.03448	1.8
81.07062	6.2
83.04986	0.8
83.08638	1.7
85.02914	12.2
85.06540	0.9
86.03854	0.4
87.04474	0.5
88.48975	0.3
91.03961	8.2
91.05470	2.2
93.07066	4.1
95.04964	0.9
95.08611	4.9
97.02899	8.9
97.06516	1.1
97.10172	1.0
99.04484	1.0
99.08092	1.2
101.02396	1.4
105.07040	2.5
107.04972	0.4
107.08607	3.8
109.02919	0.5
109.06534	6.1
109.10178	2.5
111.08095	1.3
115.03911	0.4
117.07009	0.3
119.08564	3.3
119.15755	0.3
121.06543	0.4
121.10136	2.6
122.07315	0.6
123.08081	17.3
123.11714	1.0
127.03946	3.0
131.04817	0.4
131.08583	1.2
132.41446	0.4
133.10123	2.6
133.64540	0.3
135.08070	3.9
135.11700	1.2
137.09645	1.5
137.13258	0.5
143.08577	0.4
145.04979	2.5
145.10155	1.7
147.11647	1.9
149.09636	1.6
149.13251	1.1
151.11218	0.4
159.11752	1.4
161.09669	0.6
161.13245	0.9
163.06029	1.5
163.11208	0.7
163.14841	0.5
165.12741	0.6
167.14432	0.7
173.13257	0.8
175.14847	0.8
177.12749	1.4
179.14322	28.4
191.07130	0.4
193.15903	1.5
195.13757	0.4
205.15901	1.2
213.11089	0.8
219.17558	0.4
233.19029	0.7
247.20445	0.5
263.20087	1.1
275.20129	2.4
281.17538	0.7
285.07666	0.4
289.25464	0.8
293.21222	2.3
303.26837	2.3
323.18756	0.8
331.26349	17.8
332.26642	0.8
349.27441	3.0
365.13770	2.0
366.14236	0.4
367.24844	1.6
373.95435	0.4
393.13422	1.8
404.52548	0.4
405.29984	1.1
423.31085	100.0
424.31317	2.8
447.31580	0.7
475.30215	0.4
493.31815	0.5
549.34412	1.2
567.35303	1.8
585.36176	2.7
747.41821	0.7
750.51373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3777
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03941	1.0
55.01865	0.8
55.05505	1.4
57.03416	1.1
59.05002	1.0
59.73006	0.5
61.02925	4.3
66.78779	0.6
67.05525	3.0
69.03436	2.7
69.07075	1.3
71.04997	2.1
71.08114	0.6
71.56570	0.8
73.02912	3.2
73.22954	0.5
75.04475	0.6
79.05498	4.2
81.03417	6.2
81.07063	5.7
83.08646	1.4
85.02914	6.2
85.06546	0.9
85.68933	0.7
87.04527	0.6
91.03956	2.6
91.05495	4.8
93.07063	3.3
95.04990	2.1
95.08642	1.9
97.02902	4.6
97.06560	1.4
99.04486	0.9
101.02393	2.0
105.07036	3.4
107.04965	1.1
107.08613	2.2
109.02870	1.3
109.06573	0.8
109.10213	0.6
111.08092	1.6
115.03928	0.5
119.04981	0.6
119.08596	2.7
121.10149	4.6
123.04486	0.7
123.08082	1.0
123.11808	0.7
124.07636	0.5
125.06040	0.7
125.09659	0.7
127.03956	2.2
129.07036	1.6
131.08618	2.5
133.10167	1.8
135.08017	0.7
135.11726	0.5
137.02254	0.6
137.05962	0.9
139.11234	1.6
145.02872	0.6
145.04967	0.7
147.11728	2.0
149.09595	3.4
151.07512	0.6
157.10184	2.2
165.09091	0.7
167.06967	1.1
175.11270	1.7
177.05530	0.8
181.05005	0.7
185.04305	0.9
193.12212	2.5
204.06583	0.7
225.15068	0.7
243.08389	3.6
251.12706	0.8
257.04547	2.5
267.16022	1.7
269.13577	1.2
271.05978	0.8
272.22672	0.6
283.15228	5.1
299.05557	1.3
339.17862	0.9
351.53488	0.6
425.17883	0.9
443.18964	6.9
469.20383	2.9
487.21524	8.2
501.23120	15.1
580.72137	0.6
585.10065	1.2
647.28778	0.6
685.34308	0.6
703.35175	3.5
729.37115	2.0
747.37762	100.0
748.38184	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	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01875	0.6
55.05510	1.7
57.03436	2.4
61.02933	4.7
65.03924	0.6
67.05505	5.9
69.03423	3.7
69.07070	1.6
71.05005	0.8
71.56676	0.8
72.24530	0.3
73.02928	3.8
79.05489	4.9
81.03413	1.8
81.07061	5.7
83.08642	1.0
85.02905	5.9
87.04490	0.4
91.03957	3.4
91.05489	3.6
92.05828	0.5
93.07043	6.2
95.04974	0.9
95.08607	5.1
97.02895	5.2
97.06487	0.7
99.04493	0.6
101.02400	1.8
105.07037	2.0
107.04973	0.9
107.08598	3.5
109.02856	0.9
109.10164	1.4
117.07006	0.9
119.08632	1.8
121.06551	0.7
121.10152	1.7
127.03947	1.5
131.04948	0.8
131.08595	0.7
133.10165	1.1
135.11705	2.5
145.10153	1.7
163.10004	0.3
163.11063	2.0
181.12273	0.4
203.07034	2.6
227.07127	0.8
227.12735	0.9
243.08389	2.3
249.10992	12.5
261.22260	0.4
303.74640	0.4
305.13721	1.1
335.25864	1.0
361.10931	0.5
379.11935	0.5
395.14923	1.0
431.85016	0.5
467.18951	4.5
519.29346	8.9
520.30316	0.5
548.39691	0.6
583.35803	0.5
727.32770	0.5
745.41339	100.0
746.41449	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	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.05520	15.4
57.03185	0.9
57.03446	6.8
57.07073	2.7
57.22828	0.9
59.04995	2.8
61.02922	4.0
63.51265	1.1
65.03938	3.6
67.05511	91.4
69.03414	3.1
69.07075	12.9
69.19444	9.8
71.05001	18.6
73.02909	1.5
77.03917	1.5
79.05501	36.4
81.03416	2.7
81.07065	41.9
83.04984	4.0
83.08617	8.2
84.56379	1.0
85.02908	3.5
85.06543	2.9
91.05492	27.0
93.06467	2.1
93.07057	40.4
94.07397	1.2
95.04958	3.7
95.08617	31.0
97.02905	1.3
97.06536	4.0
97.10194	1.6
105.07047	12.6
106.07355	1.0
107.04994	1.3
107.08604	19.0
109.06521	1.3
109.10166	62.8
110.41393	1.1
111.08092	2.9
113.06001	1.3
117.07044	6.3
119.08577	16.3
121.06548	1.2
121.10159	16.4
123.08105	1.6
123.11705	2.8
125.09593	1.3
127.43735	1.0
129.07025	1.6
130.93727	1.0
131.08603	6.5
133.10132	8.5
135.11710	13.7
137.09642	10.1
139.11189	1.2
143.08615	1.1
145.10161	6.4
147.11711	4.4
149.09679	1.2
149.13313	2.8
155.10698	2.8
157.10100	2.0
159.11688	2.8
161.13251	3.2
163.11224	2.2
169.12268	1.0
173.11746	6.8
173.13274	3.0
175.14890	1.7
181.12244	1.9
183.11653	1.4
185.13280	1.1
187.14830	1.8
203.07094	1.3
229.14352	1.4
229.43831	1.1
243.16011	1.8
252.02216	1.3
255.15953	4.8
257.18951	1.0
261.22168	2.8
285.17096	2.1
287.18564	18.8
317.24716	1.5
334.71298	1.0
335.25842	29.1
397.30759	1.2
471.34482	3.0
488.72961	1.1
489.35797	100.0
490.35861	3.6
503.37021	3.4
515.37360	11.3
520.03809	1.1
547.39984	78.4
548.40179	4.0
670.73560	1.1
744.45764	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
53.82989	1.0
55.01866	3.3
55.05514	22.1
57.03437	16.2
57.07070	1.8
57.16667	1.0
59.05020	1.6
61.02926	4.8
65.03946	4.0
67.05509	61.0
69.03429	4.1
69.07072	16.5
69.28107	6.4
69.28524	3.1
71.04993	3.8
77.03919	1.3
79.05497	49.6
81.03423	47.1
81.07061	71.0
83.04983	13.5
83.08622	22.6
85.02908	23.8
85.06544	2.9
91.03962	1.3
91.05484	43.7
93.07049	50.2
95.04979	22.5
95.08614	42.8
95.09235	1.4
97.02905	3.9
97.06530	4.8
97.10176	4.9
98.56030	1.0
99.08087	2.3
105.04508	1.4
105.07037	28.0
107.04977	5.8
107.08602	24.5
109.06520	5.2
109.10160	16.5
109.60585	0.9
110.74674	1.0
111.04459	1.2
111.08088	10.2
113.05988	2.2
115.05428	2.2
117.07018	6.8
119.08600	21.4
121.10159	23.2
123.08093	1.7
123.11699	5.4
125.09663	2.8
129.07010	8.0
131.08578	17.6
133.06490	2.5
133.10141	16.4
135.11697	8.9
137.09622	3.0
137.13280	2.5
142.07837	1.8
145.10077	6.6
147.08060	2.4
147.11694	16.2
149.09628	5.8
149.13258	4.8
157.10176	13.3
159.11740	5.6
161.13263	4.6
163.11206	1.4
163.14832	2.3
165.12790	2.9
173.13300	4.1
175.11208	11.1
181.15863	1.1
187.14847	1.9
189.11197	1.5
193.12247	38.5
201.16492	1.5
211.13303	52.4
227.12863	1.4
243.21190	2.4
261.22125	11.2
267.10193	3.0
267.15906	15.0
267.18570	1.5
285.16980	55.6
286.17319	2.3
301.25229	1.8
317.24738	2.0
335.25818	100.0
336.26154	2.4
417.31116	1.2
435.32751	2.6
453.33841	1.8
474.09485	1.2
527.37408	14.0
545.38434	98.2
546.38580	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	743.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
57.03437	2.0
57.17169	0.6
57.19035	0.8
61.02937	5.6
67.05502	6.0
67.89143	0.7
69.03455	3.7
69.07055	2.2
71.14474	1.1
73.02914	2.8
79.05501	7.1
81.03416	3.1
81.07044	5.4
83.04983	1.0
85.02905	5.9
91.03951	3.5
91.05488	4.8
93.07073	5.5
95.04974	1.0
95.08607	5.2
97.02896	5.4
101.02363	2.0
105.07047	2.3
107.08611	2.6
109.02930	0.7
109.10166	1.1
116.71456	0.7
117.07064	1.0
119.08603	1.5
121.10146	1.9
127.03965	2.0
129.06999	1.0
131.08617	1.0
133.10147	1.9
135.11696	0.9
145.10097	1.0
147.11703	1.4
161.13333	0.8
185.04164	0.7
213.03285	0.9
243.08572	1.2
247.13165	1.2
335.25705	0.9
385.81903	0.8
465.21063	6.0
519.29309	7.9
646.27130	0.8
743.43402	100.0
744.43915	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.9
55.01881	2.9
55.05513	22.9
57.03180	1.6
57.03440	19.2
57.07062	1.8
61.02926	4.3
63.05661	1.1
65.03949	3.1
67.05508	60.2
69.03429	4.6
69.07068	13.7
69.26510	2.1
69.26907	9.0
71.04993	6.5
73.02905	2.0
77.03938	1.2
79.05499	49.4
79.05962	2.4
81.03425	64.7
81.07062	64.1
83.04984	16.8
83.08627	26.1
83.65789	1.2
85.02907	25.0
85.06565	3.2
91.03963	1.6
91.05485	42.7
93.07047	46.4
95.04970	28.6
95.08615	38.1
97.02908	5.9
97.06508	6.9
97.10188	5.3
97.24482	1.0
98.21558	2.1
99.04478	1.4
99.08072	1.7
105.03410	1.0
105.04544	1.3
105.07035	32.4
107.04960	6.5
107.08598	24.5
109.06536	5.2
109.10159	12.9
111.04471	1.9
111.08085	12.9
113.06016	3.3
115.05469	1.1
117.07020	5.8
119.04816	1.0
119.08587	27.0
121.06538	1.6
121.10140	22.5
123.08098	3.3
123.11712	5.5
125.09672	2.4
129.07001	10.4
131.07603	1.5
131.08574	16.2
133.06528	3.2
133.10129	18.4
135.11708	7.6
137.09595	2.9
137.13310	1.5
142.07785	4.2
145.10143	6.9
147.08032	2.9
147.11699	18.9
147.58105	1.0
149.09586	5.8
149.13266	3.7
151.11186	1.6
155.08554	1.3
157.10138	10.1
159.11676	5.2
161.13283	3.6
163.14873	1.8
165.12761	3.1
173.13274	2.9
175.11220	13.4
175.14850	1.4
187.14861	2.2
193.12253	50.2
211.13297	80.7
224.39603	1.1
243.21130	4.5
261.22159	10.9
267.15924	18.9
280.56516	1.2
285.16983	88.3
286.17206	1.1
317.24692	3.2
333.23871	1.2
335.25818	85.6
336.26172	2.2
394.75052	1.0
435.32455	3.4
453.33545	2.7
471.34894	2.8
493.00211	1.1
527.37366	12.1
545.38391	100.0
546.38776	3.9
666.83368	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01870	2.2
55.05512	13.1
57.03438	8.5
57.07068	1.5
61.02926	1.9
65.03938	2.0
67.05507	38.2
69.03430	3.4
69.07076	8.6
69.38273	1.0
70.58410	0.9
71.04999	3.4
71.57883	1.1
73.02911	1.3
77.03905	1.0
79.05495	30.2
81.03422	41.7
81.07063	38.6
81.07458	0.9
83.04984	11.2
83.08625	17.5
83.35410	0.9
85.02906	13.6
85.03374	1.6
85.06539	2.3
91.05483	28.2
93.07053	33.5
95.04975	17.8
95.08608	26.6
96.74774	1.0
97.02905	3.1
97.06538	3.3
97.10160	2.8
99.04488	1.0
99.08121	1.8
105.07028	19.4
107.04964	3.1
107.08603	16.4
109.06533	4.2
109.10153	8.5
111.04491	2.0
111.08101	6.0
113.06020	1.3
115.05488	1.2
117.07046	3.3
119.08587	16.5
121.10149	12.2
123.08064	2.8
123.11706	3.2
125.09628	1.6
129.07005	5.8
131.08572	8.7
133.06543	1.5
133.10156	10.5
135.08049	1.3
135.11688	6.6
137.09549	1.4
142.07730	2.0
145.10138	5.4
147.08032	1.9
147.11673	11.5
149.09605	3.7
149.13252	3.2
151.11198	1.6
157.10138	10.7
159.11691	2.8
161.13229	2.4
161.55927	1.0
165.12782	2.0
175.11224	9.6
175.14790	1.0
193.12250	29.1
203.06931	1.1
211.11307	2.3
211.13303	42.7
261.22220	6.0
263.17520	1.3
267.15967	9.0
283.15460	1.2
285.16977	43.0
335.25827	50.3
435.32333	1.8
453.33768	1.3
527.37073	7.1
545.38397	100.0
546.38635	4.3
575.85406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01443	1.6
55.01873	4.6
55.05515	19.0
57.03442	15.0
61.02893	1.3
62.65019	1.2
67.05507	23.1
69.03429	4.7
69.07066	8.4
70.05450	3.5
70.05843	2.1
70.06610	2.6
71.04983	5.5
79.05501	28.8
81.03424	63.1
81.07065	27.1
83.04988	8.7
83.08624	17.6
84.32604	1.4
85.02924	6.1
85.06555	2.4
91.05486	23.6
93.07053	24.1
95.04967	23.9
95.08617	12.7
97.02898	4.3
97.06540	3.6
97.10178	16.6
98.97593	1.6
99.04493	1.8
99.11354	1.2
103.05473	1.5
105.04561	1.6
105.07041	19.1
107.04962	21.6
107.08611	17.2
107.41348	1.2
109.06531	20.2
109.10158	8.0
111.04436	2.1
111.08081	6.0
115.03976	1.3
115.05484	3.3
117.07030	7.1
119.04948	2.4
119.08588	14.9
121.06510	15.6
121.10183	11.3
123.04453	3.2
123.08083	6.5
123.11693	1.9
125.09625	14.9
127.03882	2.0
129.07011	12.3
131.04919	4.1
131.08586	15.4
132.05713	1.3
133.06503	4.4
133.10127	6.7
135.08037	6.5
135.11667	2.2
137.05980	2.5
137.09631	1.6
139.11259	2.8
141.07060	2.7
142.07764	2.4
143.01958	1.3
143.08560	2.7
145.02881	1.8
145.06520	8.0
145.10149	5.4
147.08060	5.6
147.11691	8.3
149.09654	6.3
151.07620	2.0
153.01926	1.8
153.09108	3.6
155.08607	1.9
157.10127	9.8
159.08054	3.0
159.11711	3.1
161.05923	2.2
161.09737	2.2
163.11208	5.2
165.09167	2.3
165.12761	2.7
167.07027	1.8
169.10083	1.7
171.08147	2.0
171.11603	1.9
173.09535	1.5
173.13283	2.5
175.11195	7.2
177.05487	2.8
178.06146	1.5
185.13293	1.8
187.11182	1.7
189.09413	1.1
189.11230	8.0
189.12804	2.2
191.07153	1.6
191.14322	4.4
193.12263	18.0
197.13232	1.6
199.11237	2.8
203.05286	1.4
205.12279	2.7
211.13310	2.6
215.14363	2.4
217.12332	1.6
219.13811	13.6
223.13290	2.1
227.12566	2.1
231.13515	1.5
233.15396	5.4
237.12570	1.7
242.05818	1.5
249.14880	2.1
254.12596	1.5
255.13841	2.4
257.04465	17.0
258.05292	3.4
259.13132	1.5
259.15338	6.5
267.15939	43.2
273.14917	8.6
275.16556	1.8
278.92398	1.4
285.04074	2.7
285.07568	2.4
286.04785	8.5
287.05490	6.7
293.17459	8.3
339.23096	3.2
349.21643	5.1
357.24326	2.5
367.22760	15.1
385.23819	22.4
403.24896	10.0
433.26105	2.2
441.26447	8.1
451.26801	4.9
459.27457	100.0
460.27649	4.1
477.11774	4.8
477.28522	92.5
478.28763	4.0
491.30066	9.2
495.12897	29.9
495.29498	6.1
509.30679	2.5
512.74756	1.3
533.29523	1.4
567.29840	1.6
722.28479	1.6
742.39038	1.4
743.21466	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	741.224
Annotation	Kaempferol-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03948	0.1
55.01845	0.1
55.05494	0.3
57.03440	1.4
61.02931	1.0
68.99792	0.1
69.03421	0.6
69.10404	0.1
69.21245	0.8
69.21672	0.4
71.01341	0.2
71.05000	7.8
73.02924	0.5
75.04456	0.3
79.05487	0.2
81.03396	0.3
83.04961	0.4
85.02911	11.0
87.04453	0.3
91.03931	0.6
91.05511	0.1
93.07025	0.3
96.36726	0.1
97.02898	0.8
99.04436	0.1
101.05988	0.1
105.03384	0.1
105.07014	0.2
107.04932	0.3
107.08569	0.3
109.02877	0.3
109.06534	0.2
111.00774	0.5
111.04442	0.3
119.08513	0.1
121.02872	1.3
121.06442	0.3
127.03899	0.7
129.05487	2.6
129.06920	0.1
131.08569	0.7
133.02818	0.3
135.11716	0.1
137.02374	0.6
139.07469	0.2
145.04956	0.3
145.10063	0.3
147.04451	0.2
147.06519	0.7
149.09593	0.5
153.01833	1.9
161.02411	0.1
165.01820	0.9
173.13181	0.2
183.02934	0.6
185.06018	0.2
191.10670	0.3
191.14310	0.5
209.11798	1.2
209.15373	0.5
213.05460	0.7
231.06519	0.5
241.04907	0.6
258.05273	0.7
259.06046	0.3
269.04843	0.1
271.06079	1.8
287.05515	100.0
288.05847	2.1
288.08850	0.2
299.05396	0.2
313.07013	0.3
325.07001	0.2
329.06491	0.3
331.08514	0.1
353.06662	0.2
367.08191	0.2
379.08325	0.2
433.11343	15.5
434.11703	0.5
449.10892	0.5
457.11172	0.2
576.57703	0.1
577.16357	0.2
595.16614	0.3
622.66211	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	741.2233
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
53.03926	0.4
55.01869	0.3
55.05513	0.4
56.95385	0.2
56.95703	0.2
57.03193	0.2
57.03436	2.5
59.04972	0.2
61.02901	0.6
67.05494	0.4
68.99777	0.3
69.03429	1.9
70.82722	0.6
71.04993	11.2
72.67144	0.2
73.02922	1.4
75.04475	0.6
79.05455	0.4
81.03424	0.6
83.04986	3.4
83.08207	0.2
85.02905	17.1
87.04452	0.3
91.03963	0.2
95.04949	0.5
97.02872	1.2
97.06535	0.2
99.04427	0.7
107.04935	0.4
109.02866	0.6
111.00761	0.3
111.04444	2.4
113.05995	0.5
117.05498	0.5
121.02873	1.6
121.06500	0.2
125.06033	0.2
127.03911	1.0
129.05481	3.9
133.02853	0.4
137.02336	0.8
137.05969	0.3
145.04935	0.6
145.48506	0.2
147.04437	0.5
147.06522	1.7
149.05913	0.2
153.01831	2.3
153.05447	0.6
157.06444	0.4
163.06050	0.6
165.01819	1.2
167.03510	0.5
171.06511	0.3
177.05516	0.3
183.02853	0.5
185.05893	0.3
186.24063	0.2
201.07570	0.3
213.05475	0.9
231.06497	0.7
239.09102	1.2
241.04927	0.8
258.05215	0.8
259.05978	0.3
270.05096	0.2
271.06110	0.4
275.11435	0.4
283.06076	0.4
287.05493	100.0
288.05865	1.9
299.05624	0.7
309.07410	0.3
311.05612	0.3
313.07056	0.7
316.05771	1.3
317.06320	0.3
329.06424	1.0
331.08127	10.0
337.07193	0.5
353.06354	0.5
397.09219	0.4
415.10291	0.2
433.11411	1.7
449.10864	1.4
490.80594	0.2
595.16315	0.4
740.45654	0.3
772.67249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2237
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.01887	0.2
55.05509	0.4
57.03444	2.1
61.02927	1.4
65.03963	0.4
67.05496	0.4
68.99792	0.4
69.03443	1.4
70.75418	0.2
71.01347	0.3
71.04999	12.4
71.34958	0.5
72.08168	0.2
73.02920	1.3
75.04478	0.6
79.05483	0.3
81.03425	0.6
83.04985	3.3
84.08127	0.2
85.02912	17.9
87.04462	0.5
91.03950	0.5
91.05469	0.3
95.04964	0.7
97.02898	1.3
97.06520	0.5
99.04453	0.6
100.02367	0.2
107.04975	0.5
109.02865	0.6
110.07243	0.2
111.00786	0.5
111.04447	2.4
113.05984	0.3
117.05495	0.7
119.04959	0.3
119.08570	0.3
120.08080	0.3
121.02872	2.7
122.83111	0.2
123.04395	0.2
125.03770	0.2
127.03917	0.8
129.04620	0.3
129.05496	4.8
133.02850	0.6
137.02371	0.6
137.05960	0.5
145.04961	0.5
147.04497	0.5
147.06540	2.4
151.03879	0.3
152.07034	0.2
153.01819	2.9
153.05490	0.7
157.06462	0.3
163.06046	0.6
165.01859	1.6
167.03383	0.5
171.06667	0.4
177.05490	0.3
183.02957	0.6
185.05991	0.3
197.05968	0.3
201.07481	0.3
213.05522	1.3
231.06544	0.6
233.11629	0.3
239.09108	0.9
241.04968	0.8
243.06526	0.3
250.14346	0.4
255.08800	0.3
258.05240	0.8
259.06003	0.4
270.05255	0.3
271.05896	1.1
275.11356	0.4
283.06122	0.6
287.05515	100.0
288.05807	2.0
293.12134	0.3
299.05472	0.5
300.05939	0.3
313.06998	1.0
316.05710	1.1
317.06369	1.3
329.06644	1.1
331.08154	6.8
332.08292	0.3
337.07010	0.3
353.06555	0.7
370.54712	0.2
397.09177	0.8
415.10095	0.7
431.09201	0.3
433.11343	3.7
449.10706	1.2
595.16174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01842	0.9
57.03437	1.3
58.26302	0.2
61.02898	0.9
65.03918	0.3
67.05477	0.2
67.76952	0.2
68.99757	0.6
69.03430	7.1
70.58747	0.5
71.04954	0.8
73.02909	1.2
75.04460	0.3
78.04681	0.2
79.05465	0.9
81.03419	5.7
81.07045	0.5
85.02908	8.0
87.00822	2.1
87.80264	0.2
91.03922	0.2
91.05486	1.6
93.07000	0.8
95.01310	0.4
95.04929	0.6
95.08647	0.3
97.02890	3.4
99.04449	1.6
102.04655	0.4
103.03931	0.7
103.05460	3.2
105.01853	1.0
105.03361	0.4
105.06392	0.3
105.07033	4.0
106.04132	0.5
107.04972	1.1
107.08565	0.2
109.02225	0.3
109.02882	4.8
109.06525	0.3
109.10139	0.3
115.05437	0.6
117.01826	0.4
117.03363	0.4
118.04153	2.1
119.04929	0.7
121.02857	0.3
121.06506	1.8
122.99946	0.2
123.00785	3.0
123.04407	0.6
127.03922	5.8
128.06194	0.8
129.01849	0.5
130.04120	0.8
131.04939	3.1
132.05727	1.2
133.06488	3.4
135.04434	1.6
135.76686	0.2
137.02306	0.4
137.05980	0.4
137.20352	0.2
140.04620	0.2
141.06967	0.4
143.06010	0.2
145.02850	0.5
145.04916	1.3
145.06476	0.3
145.10074	0.3
146.03645	0.5
147.04381	0.8
148.05139	0.9
149.02338	0.3
149.05986	2.2
151.03897	0.3
151.07487	0.5
152.01062	2.0
152.06133	0.3
153.01721	0.3
153.06903	0.4
153.09059	0.3
154.06215	0.7
156.05656	0.6
159.02858	0.9
159.04347	0.3
160.05174	0.4
161.05984	4.9
162.36586	0.2
163.07520	0.3
164.04671	0.2
165.05515	0.2
165.09081	0.6
167.07062	3.1
168.05728	0.9
169.06432	0.3
170.02086	0.3
171.08058	7.6
172.08446	0.2
173.05998	0.3
176.04669	2.1
177.03983	0.3
177.05437	2.1
178.06215	0.6
179.07007	0.7
180.07799	0.4
181.06485	0.9
181.08606	0.7
182.09416	1.6
183.08005	1.3
184.05173	1.4
185.05966	0.4
187.06018	0.7
191.07027	4.9
192.07811	1.5
193.08630	3.2
196.05232	0.5
197.06006	0.5
199.07492	0.5
209.05965	2.8
209.08104	1.4
210.08862	2.7
211.04004	0.4
211.07645	1.1
212.04704	0.9
213.05524	0.3
223.03957	0.6
225.05547	0.5
227.06990	0.6
229.08575	2.1
231.04958	0.6
239.03255	0.4
239.07048	1.0
240.04240	1.3
240.07791	2.2
241.04985	0.5
242.05719	0.3
251.06972	0.3
252.04141	0.5
253.05075	0.5
255.06519	100.0
256.06946	2.7
267.06516	0.3
268.07312	0.4
269.04462	0.7
269.08115	0.7
270.05258	0.7
281.08041	0.8
283.06021	40.2
284.06766	9.7
285.07578	21.7
286.07907	0.5
293.07846	0.3
295.06137	1.2
297.07498	0.4
309.07480	0.3
325.07141	1.2
339.08536	0.4
463.13892	3.3
464.13870	0.3
475.13876	18.0
476.14117	0.7
493.14954	97.0
494.15247	3.8
501.42389	0.2
535.15948	0.7
561.13818	0.6
565.13690	0.3
655.20483	0.5
741.20209	2.3
761.56750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01841	0.8
56.93011	0.2
57.03404	1.2
61.02891	0.9
65.03912	0.5
68.99763	0.6
69.03431	6.8
69.82890	1.4
71.04956	0.8
73.02885	0.7
78.01031	0.2
79.05463	0.9
81.03414	6.1
81.07012	0.9
85.02908	8.5
87.00848	2.4
87.04422	0.3
89.03879	0.4
90.04710	0.3
91.05481	1.9
93.03401	0.4
93.07018	0.8
95.01321	0.6
95.04947	0.6
97.02348	0.3
97.02894	3.1
99.04464	1.7
103.03914	0.6
103.05445	3.1
105.01849	1.2
105.03307	0.3
105.07029	3.8
106.04140	0.6
107.04945	1.4
107.08572	0.3
109.02876	4.4
114.67658	0.2
115.05434	0.7
117.07027	0.4
118.04170	2.7
119.04934	0.6
121.06516	2.0
123.00775	2.6
123.04401	0.6
127.03926	5.6
128.06229	0.7
128.93756	0.3
129.01833	0.4
130.04109	1.1
131.04938	3.4
132.05701	1.5
133.02907	0.3
133.06494	3.3
134.03671	0.4
134.07315	0.2
135.04408	1.6
136.05170	0.4
137.05968	0.4
139.03961	0.3
139.07526	0.3
141.06906	0.5
145.04916	1.0
145.06485	0.5
146.03636	0.7
147.00812	0.3
147.04356	0.8
148.05180	0.9
149.05978	2.1
151.07500	0.5
152.01019	1.7
154.06204	0.9
156.05653	0.6
159.02950	1.4
159.04242	0.4
160.05168	0.5
161.05981	5.1
163.03922	0.3
163.07491	0.6
165.05608	0.3
165.09064	0.8
167.07043	3.7
168.05681	0.7
170.02069	0.6
171.08055	7.3
173.05978	0.5
176.04668	1.7
177.05467	2.2
178.06210	0.6
179.06970	0.6
180.07822	0.6
181.06462	0.7
181.08475	0.3
182.09378	1.8
183.08051	1.1
184.05180	1.9
187.06000	0.7
191.07033	4.9
192.07819	1.6
193.05060	0.3
193.08609	3.7
195.04375	0.6
196.05133	0.5
197.06030	0.3
199.07524	0.6
207.06560	0.4
208.07188	0.3
209.05949	3.0
209.08061	1.3
210.08890	2.7
211.07610	1.3
212.04672	0.9
223.03862	0.6
227.07059	0.4
229.08531	2.5
231.05028	0.6
239.03252	0.5
239.07033	0.8
240.04178	1.4
240.07787	2.2
241.04988	0.6
242.05557	0.5
252.04192	0.7
253.04965	0.7
255.06520	100.0
256.06995	2.7
268.07309	0.5
269.04495	0.7
269.07962	1.2
270.05194	0.6
281.08163	0.9
283.06018	42.2
284.04340	0.2
284.06754	10.9
285.07574	22.0
286.07852	0.4
295.06046	0.8
309.07367	0.3
313.07153	0.4
325.07260	1.2
337.55338	0.3
339.08557	0.6
442.10184	0.3
443.11548	0.3
445.08899	0.3
463.13846	3.5
464.14902	0.3
475.13910	18.9
476.14337	0.7
491.13733	0.3
493.14951	99.4
494.15250	4.1
535.15881	0.7
561.13672	0.6
564.09979	0.3
655.19922	0.5
738.32495	0.3
741.20142	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	740.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
54.80280	1.3
55.01883	9.0
55.05257	2.5
55.05512	25.7
57.03442	14.5
57.07076	3.0
59.04996	1.5
61.02935	7.4
65.03944	2.3
66.68306	1.3
67.05510	60.6
69.03420	2.2
69.07072	12.8
71.04991	4.6
71.56260	1.5
73.02905	1.2
79.05500	50.3
79.05965	2.5
81.03435	10.2
81.07062	59.1
83.01336	8.6
83.04979	11.5
83.08620	15.9
85.02921	9.0
85.06545	2.0
91.03979	1.9
91.05489	29.3
93.07051	55.5
95.04974	9.9
95.08616	40.3
97.02908	5.5
97.06560	6.9
97.10181	4.4
99.04454	2.9
105.07038	23.0
107.04961	5.2
107.08609	27.4
109.06523	8.1
109.10175	16.2
111.04450	1.7
111.08063	2.7
116.06286	1.2
117.07034	12.1
119.08596	17.4
121.06525	3.8
121.10144	19.6
123.08086	9.3
123.11684	4.1
124.25977	1.2
125.05963	1.3
125.09624	2.6
129.06989	1.6
131.08592	12.9
133.10143	9.0
135.08057	3.0
135.11703	22.9
137.09648	1.9
137.13263	2.0
143.08638	1.4
143.28926	1.3
145.06577	1.6
145.10126	20.4
147.08025	3.3
147.11659	6.3
149.13255	6.8
153.12737	2.6
155.08583	2.2
159.11723	4.3
161.13300	2.7
163.11189	22.6
163.14824	3.7
171.11617	1.5
173.09715	3.8
173.13295	5.8
175.14818	1.5
181.12263	3.7
187.14850	2.8
189.11243	1.6
191.10648	2.9
209.11667	7.9
227.12811	8.9
243.21077	6.0
259.20706	1.6
261.22183	17.1
275.87064	1.3
283.15424	91.1
299.23816	3.6
313.27631	1.3
317.24771	5.1
335.25830	100.0
336.26196	2.9
433.31036	3.0
451.31824	3.5
469.32886	1.9
525.35657	4.5
543.36823	72.5
544.37115	3.1
561.37793	2.7
701.97845	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01870	6.5
55.05515	18.5
57.03444	12.9
57.07072	2.3
59.05000	1.8
61.02926	5.4
63.43032	1.1
65.03934	1.2
67.05508	49.1
69.03433	2.5
69.07072	10.2
69.35299	6.1
69.35705	2.8
71.04987	4.7
79.05057	2.3
79.05496	38.2
81.03425	12.8
81.07063	49.0
83.01342	7.5
83.04987	11.6
83.08625	13.6
83.25950	1.1
85.02914	7.5
85.06555	2.0
90.03822	1.1
91.03956	1.5
91.05488	24.6
93.06467	2.3
93.07054	43.9
95.04966	7.6
95.08612	33.4
97.02901	5.3
97.06540	4.9
97.10172	4.7
99.04449	3.3
99.08113	1.4
105.07044	16.9
107.04957	4.8
107.08598	24.1
109.06503	5.9
109.10154	16.6
111.04417	2.1
111.08086	2.4
111.11754	1.6
115.05452	1.6
117.07033	10.9
119.08595	16.0
121.06482	3.3
121.10152	19.4
123.08080	7.2
123.11710	3.9
125.06036	1.2
125.09628	4.6
129.06979	3.7
131.08571	10.1
133.10135	9.0
135.08043	3.1
135.11699	19.1
137.09689	1.3
137.13220	1.4
143.08604	2.1
145.10127	18.5
147.08043	2.0
147.11688	4.2
149.09608	1.8
149.13246	4.2
153.12804	2.7
155.08540	1.9
157.10127	1.6
159.11687	4.8
161.13257	3.1
163.11211	21.4
163.14864	3.4
173.09593	4.1
173.13304	3.7
175.14885	1.9
181.12250	3.8
187.03888	2.3
187.10956	1.1
187.14825	3.2
189.11198	2.6
191.10657	3.3
193.12212	1.4
197.13423	1.2
199.00249	1.2
201.16383	1.7
209.11778	8.4
211.13324	1.0
221.08028	1.0
227.12758	9.4
233.22664	1.2
243.21080	5.3
261.22150	14.9
265.08643	1.2
267.15909	2.2
277.21707	1.1
283.15421	100.0
284.15695	1.8
299.23700	4.3
317.24664	6.5
330.97052	1.1
333.24329	1.3
335.25821	76.9
336.26401	1.3
433.30975	1.8
451.31949	3.6
469.33069	2.7
487.34219	1.4
507.34448	1.4
525.35559	4.3
543.36823	53.6
544.37012	1.7
561.37579	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28254	0.7
53.03928	3.4
54.35627	0.7
54.56775	0.7
54.95890	0.7
55.01857	2.7
55.05517	14.0
57.03443	7.7
57.07073	2.1
57.40035	0.7
61.02907	1.7
65.03931	2.2
67.05510	41.3
68.05838	0.9
69.03423	1.0
69.07074	12.2
69.95300	2.3
69.95699	1.2
71.04985	2.3
73.02930	1.5
79.05496	37.5
81.03413	1.6
81.07063	41.1
83.04956	1.9
83.08616	6.9
85.02908	1.0
85.06567	1.4
91.05491	14.2
93.07050	45.8
95.04972	5.4
95.08612	44.1
95.09245	1.4
97.02897	3.6
97.06533	3.2
97.10146	1.7
99.04440	3.6
105.07035	11.9
107.04976	6.5
107.08604	30.9
109.06523	1.7
109.10167	11.9
111.04446	1.8
111.08060	1.0
112.47030	0.7
115.05449	0.9
117.07025	8.6
119.08586	10.6
121.06519	4.1
121.10146	17.1
123.08077	0.9
123.11699	2.5
125.06005	1.7
130.07782	0.9
131.08578	5.4
133.10130	5.9
135.08047	1.6
135.11705	38.5
139.07520	1.2
145.10138	22.8
147.11719	2.4
149.13264	3.2
151.03897	3.1
153.12718	0.8
159.11687	2.6
163.11197	42.7
163.14845	1.7
164.11485	1.0
173.09633	1.0
173.13283	1.1
175.14923	1.2
181.12218	8.3
187.14732	0.8
192.07768	1.4
206.13881	1.2
209.11710	1.4
217.92168	0.8
227.12799	52.3
243.21165	2.3
261.22198	7.9
283.15411	47.5
284.15836	1.3
289.36453	0.8
317.24780	1.3
335.25824	100.0
336.26190	2.5
340.10260	0.7
352.10788	0.8
411.14456	0.8
440.44330	0.8
543.36847	74.3
544.37103	3.0
714.01685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.2
55.01869	4.5
55.05510	12.6
57.03429	9.4
57.07075	3.1
59.05808	2.1
59.06123	8.8
60.04519	8.4
65.03919	3.7
67.05166	3.9
67.05506	46.5
69.07061	11.4
69.26714	21.1
76.49804	2.1
79.05063	3.2
79.05498	54.2
79.05951	2.9
79.18375	2.3
81.03413	4.4
81.07063	51.5
83.04968	7.7
83.08620	10.3
83.78276	2.3
91.05480	53.4
91.61086	2.3
93.07047	54.0
95.04975	11.8
95.08607	31.7
95.93346	2.2
97.06518	4.1
101.07130	4.4
105.07036	28.7
106.41489	2.8
107.04935	4.3
107.08604	20.8
109.06522	3.6
109.10169	14.8
117.07021	7.5
119.08589	13.9
121.10099	12.2
123.08086	6.0
129.07028	9.7
131.08598	5.2
133.10118	11.2
135.11716	4.9
140.10716	14.0
140.25607	3.0
143.08553	6.0
145.10159	14.1
147.11720	19.9
149.13170	2.6
149.33052	2.3
151.03929	3.0
158.11726	3.1
159.11736	3.6
161.13292	8.5
171.11697	16.5
189.12671	4.1
207.13803	16.5
261.21964	3.3
279.15906	3.4
279.94608	2.6
281.17490	48.9
335.25775	49.8
522.44781	3.2
540.46008	16.1
541.38904	100.0
542.39038	5.0
558.46991	11.4
576.47858	4.9
717.16241	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	738.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
57.76088	1.0
61.02930	0.9
69.03447	3.9
70.34351	0.9
70.84162	0.8
71.56015	1.3
72.44715	0.8
73.02923	3.2
79.05491	0.9
81.03405	1.3
85.02901	5.5
86.74564	0.8
91.05463	1.0
97.02901	1.9
107.04991	0.9
107.08658	0.8
109.02844	1.6
116.44791	0.8
125.06010	1.1
127.03947	1.2
141.45728	0.7
145.10025	0.9
147.04474	1.4
157.06493	1.1
185.05963	2.0
191.07060	5.0
205.04971	1.0
297.07523	1.3
303.06516	1.1
303.10062	1.4
306.08923	0.9
307.05783	1.2
309.07574	2.8
311.09076	6.0
317.08179	1.7
318.08786	1.1
319.09631	2.5
321.11395	1.1
323.09293	1.6
331.06027	1.0
331.09747	2.0
334.08246	1.5
335.12747	1.2
346.08185	2.1
347.09119	4.5
349.10712	7.8
350.11356	1.2
353.13828	4.3
361.07004	1.1
363.08603	2.8
363.12421	3.9
377.10251	8.8
378.10922	7.2
379.07977	1.0
381.13367	33.0
382.13632	1.3
391.11743	5.1
394.10449	1.9
409.12848	100.0
410.13159	3.5
541.16632	1.3
543.19080	1.9
571.18152	32.2
572.18622	1.3
633.90814	1.0
679.51276	1.4
763.37518	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69341	0.5
54.01728	0.4
56.38538	0.5
59.46243	0.5
63.25717	0.5
67.05500	1.3
69.40809	1.1
69.41226	3.0
79.05488	1.1
81.07055	1.0
85.02900	0.6
85.09863	0.5
87.50213	0.5
91.05473	1.7
93.07035	0.8
95.04968	1.2
95.08624	0.9
98.20723	1.1
105.07007	1.2
107.04973	1.4
107.08614	0.7
109.10143	0.9
117.07030	0.5
121.06512	1.0
135.04448	2.5
137.05995	1.8
145.06445	0.6
147.04428	4.4
148.05188	2.1
149.06032	1.4
151.03905	9.3
151.07516	0.6
155.08557	0.6
161.05965	2.7
162.03217	0.8
163.03908	7.7
165.05573	0.6
175.03955	2.3
176.04713	2.0
177.01826	0.7
177.05505	2.5
178.06274	3.4
185.05893	1.1
187.03944	0.9
191.07037	22.7
192.07616	0.9
193.04918	1.3
197.05925	0.6
199.07497	0.6
203.06981	2.7
205.05002	1.4
210.06706	0.8
211.07632	2.6
213.05634	1.1
213.09113	1.0
214.06291	0.7
219.06511	0.6
227.07057	0.9
229.08656	2.5
237.05576	0.6
238.06274	1.7
239.07001	2.9
240.07869	0.8
241.04915	2.8
241.08667	1.0
242.05730	0.8
243.06520	3.6
249.05287	0.6
250.06111	0.7
251.07027	1.6
252.07823	1.1
253.08601	1.5
254.09309	1.5
255.06541	1.4
256.07391	0.6
257.08081	7.8
257.11719	2.4
258.08936	1.3
265.05054	0.7
265.08560	0.7
266.05756	7.7
267.06534	5.2
267.09622	0.6
269.08148	8.8
270.08780	1.0
271.09732	0.9
279.06354	0.8
280.07336	1.7
281.08109	13.1
282.08636	1.7
283.06046	3.5
283.09390	0.8
284.06775	1.3
285.11389	0.8
295.05963	6.9
296.06897	0.9
297.07642	8.9
297.11008	1.1
298.08395	5.2
299.09290	2.5
300.06400	0.8
308.06714	0.8
309.07614	7.3
310.08337	7.6
311.05511	1.7
311.09146	3.7
313.10709	62.6
314.11179	1.5
315.08502	1.5
325.07217	0.7
325.10818	1.6
326.07962	2.4
327.08588	6.0
333.11249	0.7
335.09103	1.3
341.10217	100.0
342.10950	24.2
345.09866	0.8
347.13040	0.8
349.10739	1.1
353.10175	0.7
365.10138	0.7
365.13858	12.4
365.17734	0.4
381.09595	3.1
382.10144	0.6
391.10104	0.6
393.13266	10.1
394.14093	1.1
396.12125	1.6
397.12860	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	737.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.8
69.42658	4.8
79.05496	0.6
81.03435	0.7
81.07048	1.4
91.05499	1.3
93.07050	0.9
95.04969	0.7
95.08603	0.8
105.07036	1.2
107.04945	1.1
107.08588	0.6
119.08609	0.7
121.06493	0.9
131.08585	0.7
135.04428	2.1
137.05978	1.8
147.04402	4.0
147.96404	0.6
148.05177	1.1
151.03918	8.6
155.08556	0.6
161.05939	2.9
163.02678	0.9
163.03909	7.5
171.08026	0.6
173.05957	1.1
175.03905	3.4
176.04745	1.3
177.05490	1.4
178.06308	3.5
181.04941	0.6
185.06039	0.9
187.03914	0.7
187.07504	0.9
191.07039	20.6
192.07745	0.7
193.04968	1.3
203.07016	2.4
205.04933	1.4
206.05763	0.6
211.07506	1.7
214.06250	0.9
227.07112	1.2
228.07616	1.0
229.08621	2.9
237.05336	0.8
238.06261	1.7
239.07069	2.9
241.04991	2.1
241.08734	1.2
243.06575	4.6
249.05426	1.0
250.06181	0.6
251.07082	1.8
252.07899	1.7
253.08617	1.4
254.09451	1.6
255.06599	1.5
257.08102	5.4
257.11725	2.5
258.08789	1.9
265.08685	0.8
266.05759	7.3
267.06516	4.8
269.08130	9.2
270.08905	1.2
271.09872	0.7
279.06631	1.1
280.07257	0.6
281.08105	13.4
282.08789	1.4
283.06039	2.5
283.09329	0.9
284.06796	1.3
295.06055	6.0
297.07635	9.3
298.08270	3.7
299.09186	3.0
300.06137	0.7
309.07642	5.7
310.08322	6.2
311.05484	3.0
311.09164	4.0
313.10706	57.8
314.11118	1.2
315.08652	1.3
325.07349	0.7
325.10809	1.5
326.07965	2.8
327.08615	4.7
335.09140	1.9
341.10211	100.0
341.49133	0.6
342.10968	25.0
345.09760	0.9
349.10657	0.8
363.08414	1.0
365.09778	0.9
365.13913	11.6
376.59976	0.6
381.09915	3.6
389.75467	0.6
393.13309	8.2
394.13907	1.3
396.11786	1.8
397.12869	7.5
494.70453	0.7
664.00317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
53.87112	0.6
55.01883	0.9
55.05510	1.2
56.96575	1.4
57.03444	2.3
61.02930	3.7
67.05519	3.1
69.03445	2.6
69.07063	1.1
71.05002	1.8
73.02925	3.6
77.82060	0.6
78.00076	0.6
79.05496	3.4
83.04977	1.1
83.08638	2.0
85.02911	4.5
91.03967	2.0
91.05482	3.5
93.06554	0.7
93.07048	3.0
95.04987	3.7
95.08611	2.0
97.02887	4.2
97.06563	0.8
98.70440	0.6
99.04464	1.1
101.02417	0.9
105.07047	3.1
107.04987	0.9
107.08613	1.9
109.02927	1.1
109.06521	0.6
109.10206	1.0
117.74436	0.6
119.08641	2.0
121.10185	2.2
122.63527	0.6
123.08136	0.8
127.03963	1.1
129.07021	1.1
133.10155	2.2
137.06076	1.1
147.11732	1.8
148.83345	0.6
149.09680	2.6
157.10173	1.8
175.11259	1.5
185.04263	0.7
191.07060	0.6
193.12338	2.3
211.13379	1.1
243.08446	2.6
251.12651	2.5
251.55011	0.6
267.15903	1.0
271.05920	0.7
283.15329	2.8
291.13718	0.7
307.15158	1.0
328.54724	0.7
336.55972	0.9
341.10593	0.9
411.14746	1.8
469.20438	9.2
501.23123	13.2
523.11871	1.3
523.61786	3.1
524.11932	1.1
567.28351	0.9
639.29254	1.0
729.36609	100.0
730.36780	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01869	0.4
55.05508	1.7
57.03438	1.7
59.05002	0.6
61.02931	3.7
64.85178	0.3
65.03936	0.5
67.05499	2.7
67.69297	0.3
69.03431	3.1
69.07055	0.8
71.01363	0.9
71.05001	1.5
71.58076	0.7
71.58440	0.4
73.02919	2.3
79.05494	4.1
82.06593	0.4
83.04983	1.3
83.08615	1.5
85.02908	5.7
85.06562	0.8
87.04462	1.0
91.03956	1.7
91.05474	4.7
93.07043	3.2
95.04986	2.7
95.08620	1.7
97.02897	4.7
97.06554	0.6
97.10172	0.5
99.04499	0.6
101.02392	1.5
103.03945	0.4
105.07038	2.7
107.04964	0.7
107.08609	2.3
109.02889	1.4
109.06557	0.5
109.10156	1.1
111.08096	1.4
113.06061	0.5
119.08614	2.3
121.06545	0.7
121.10155	2.4
123.08080	0.8
123.11734	0.7
125.09666	0.4
127.03902	1.9
129.07013	1.4
131.08548	1.8
133.06541	0.5
133.10147	2.3
135.11737	0.5
137.06023	0.4
145.10101	0.6
147.04413	0.5
147.08026	0.5
147.11694	2.2
149.09625	2.3
157.10165	1.5
159.11765	0.4
165.13019	0.5
167.07071	0.5
175.11263	1.5
185.04163	0.6
193.12186	2.7
203.05287	0.5
205.87953	0.4
211.13274	0.7
225.14928	0.5
243.08437	2.3
244.25928	0.4
245.93446	0.4
251.12662	0.7
267.16083	1.1
269.08200	0.7
283.15186	4.1
285.07687	0.5
287.05719	0.5
300.06381	0.7
307.15277	0.4
421.16498	0.5
469.20468	8.9
501.23074	8.4
567.12744	1.2
729.36670	100.0
730.37067	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	727.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.3
57.03438	4.0
60.03326	1.7
61.02928	2.8
68.99792	1.6
69.03434	5.2
71.57647	2.9
73.02917	2.7
81.03420	3.9
85.02919	13.1
91.05492	3.0
95.04925	2.3
97.02908	6.1
98.13973	1.7
103.03940	3.6
107.04918	2.4
109.02859	3.7
119.04955	11.5
121.02872	46.1
123.04450	1.7
123.59715	2.3
127.03951	5.8
131.05000	3.0
134.52460	1.7
145.02878	7.4
147.04453	2.4
153.01761	2.2
159.04472	2.6
163.03937	3.5
165.01785	2.2
173.02400	2.0
177.01852	4.2
179.03394	1.9
187.03922	4.9
189.01866	8.1
191.03429	5.7
195.02919	4.7
198.60721	1.8
201.05524	3.1
201.28287	1.7
203.03426	13.8
205.04980	2.1
207.02847	8.8
215.03432	4.2
217.05028	6.0
219.02898	6.8
221.04457	3.3
221.62303	1.8
227.03380	3.3
229.04837	2.1
231.02983	3.6
233.04520	3.8
241.04929	2.9
243.03073	2.5
245.04485	3.6
267.06741	2.4
268.07349	3.0
271.06027	4.0
273.04089	3.6
275.02234	2.2
279.06531	5.5
280.07455	2.7
281.08118	6.5
283.06061	8.3
284.06863	2.3
292.81161	2.3
293.08051	4.6
294.05270	23.2
295.06046	80.7
295.09140	2.7
296.06677	8.4
297.07684	11.8
303.04950	2.4
305.08090	3.2
307.06030	58.3
307.09293	3.3
308.06741	22.7
309.04172	3.4
309.07532	20.8
313.07104	7.1
317.06735	8.3
319.05957	7.7
319.09305	2.0
320.06808	10.8
321.03888	2.4
321.07568	46.6
322.08206	10.4
323.09204	6.5
325.07065	90.6
329.08154	5.0
333.07614	26.4
334.08224	4.5
335.05414	2.1
335.09140	31.0
336.06271	5.5
337.07065	91.7
338.07352	3.2
339.08557	9.2
345.07700	17.0
347.09213	8.8
348.05826	2.5
349.07089	56.0
349.10690	2.1
351.08643	27.1
355.08124	13.4
359.09406	4.2
361.07019	30.1
361.10892	2.6
363.08655	35.5
365.10236	2.0
367.07959	10.9
373.07083	16.6
374.08026	2.6
375.08643	5.4
379.03226	3.6
379.08154	76.7
380.08609	2.4
387.08578	8.7
389.10397	3.0
391.08130	86.0
392.08817	2.8
397.09091	2.6
401.10275	4.5
403.08011	15.4
405.09634	3.2
409.09195	54.6
415.08218	9.0
417.09631	3.9
419.11453	2.6
421.09158	10.1
427.10330	32.4
429.09460	2.1
433.09103	13.0
439.10318	7.6
445.09076	8.8
451.10349	4.8
457.11011	12.6
463.10376	7.6
469.11288	2.9
475.10663	7.8
481.11414	12.5
487.12280	9.2
493.11414	11.5
499.12427	8.5
511.12378	47.7
517.13446	8.5
529.13416	14.8
541.13538	22.6
547.14423	7.8
553.13422	7.2
559.14520	3.5
571.14545	65.5
572.14954	3.1
577.15387	4.2
589.15570	100.0
590.15277	3.2
601.14893	3.5
607.16467	5.9
613.15747	2.7
619.16827	9.5
625.16711	2.3
631.16827	3.1
637.17059	7.8
643.16650	21.7
655.16467	6.5
661.17706	17.7
673.17657	57.7
674.17621	2.3
691.18890	30.5
709.19861	15.3
727.22015	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	727.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01855	1.1
57.03415	1.9
61.02899	1.6
61.49033	0.4
67.05470	0.4
68.99768	0.6
69.03434	9.9
69.52679	3.0
71.01327	0.5
71.04976	1.4
73.02890	1.6
77.03923	0.5
81.02988	0.6
81.03424	8.6
81.07029	0.6
85.02437	0.7
85.02910	10.6
86.54353	0.4
87.00832	3.1
87.04450	0.5
89.03896	1.8
91.05460	2.7
95.01357	0.7
95.04933	0.5
95.08584	0.6
97.02898	5.9
98.21570	0.5
98.49057	0.4
99.04452	3.2
102.04655	0.7
103.03915	1.6
103.05473	3.1
105.01835	1.0
105.07028	0.9
109.02890	6.6
109.06411	0.5
111.04421	0.4
117.01881	0.4
117.03390	2.9
119.04925	2.8
121.06527	0.7
123.00755	1.9
124.05180	1.5
127.03930	8.2
127.05366	0.6
128.06223	0.9
130.04124	1.2
131.04930	10.0
133.02835	0.7
133.06479	1.2
134.03607	2.5
135.04453	0.6
135.55301	0.4
137.02368	0.6
137.06020	2.7
137.38937	0.4
139.05432	0.5
144.05699	0.6
145.02873	3.9
145.04932	1.3
145.06451	1.1
146.03630	4.2
147.04451	4.7
148.05107	1.6
149.02376	0.5
149.05966	1.4
150.06805	0.8
151.03952	0.6
151.07545	1.3
152.01039	2.0
152.08295	0.5
153.01813	1.5
155.04929	6.1
155.06085	0.5
155.59657	0.4
156.05682	0.8
159.02910	1.1
159.04349	0.7
161.06007	4.8
162.06783	2.6
163.03915	0.7
163.07558	8.4
167.07033	0.4
169.06485	0.5
169.87704	0.4
170.02109	0.5
171.04378	1.0
172.05177	0.9
175.03960	1.2
177.05464	1.9
180.07816	1.9
183.04428	5.2
184.05154	0.9
185.05986	1.1
187.05991	1.8
187.07553	2.0
197.05937	0.5
200.04753	2.1
201.05461	0.9
207.06380	0.5
211.03926	4.5
212.04619	2.6
213.05521	0.9
223.03897	0.9
224.04665	0.6
225.05443	1.8
228.04140	2.4
229.04893	1.2
230.05763	0.5
231.04884	0.5
235.04060	0.5
235.54616	0.4
239.03400	6.5
240.04059	2.2
241.04984	3.0
243.06499	0.5
245.07979	0.8
255.02798	1.0
256.03687	11.7
256.07254	1.9
257.04465	1.3
267.02881	1.8
267.06168	0.5
268.03674	2.0
269.04514	2.6
271.06024	100.0
272.06454	2.3
283.05768	0.6
284.06769	1.0
285.03961	1.7
285.07388	0.9
286.04730	4.7
297.04144	0.5
297.07642	1.3
299.05521	47.6
300.06284	17.5
301.07065	18.4
311.05603	1.1
317.08002	0.5
333.08072	0.5
341.06622	0.5
355.08102	0.7
429.09723	1.5
446.10007	1.1
449.12344	6.0
461.12350	23.9
462.12469	0.9
479.13425	83.1
480.13895	2.7
521.14374	0.8
547.12079	0.8
569.12592	0.6
641.18726	9.3
678.14502	0.5
683.19885	6.0
709.17859	2.5
727.20001	28.3
728.19891	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	725.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
69.03421	1.2
71.04990	1.5
72.18135	0.6
79.05486	1.8
81.03440	1.1
81.07059	1.5
82.06569	0.9
83.04984	0.8
84.08133	1.1
85.02892	3.1
86.09698	0.8
89.03916	1.4
91.05469	1.0
92.04982	0.8
93.07027	1.3
94.06593	1.8
95.04949	1.2
95.08659	0.8
96.08137	2.9
97.02895	1.5
97.06524	3.0
100.87916	0.7
106.06551	0.9
108.08121	2.3
109.02872	1.9
109.10201	0.9
110.09676	2.5
111.04436	1.4
116.04994	4.1
119.04943	0.7
120.08107	1.9
122.06020	5.3
124.07598	6.8
127.03860	1.2
136.07578	2.8
137.04733	2.8
137.05969	2.6
138.05519	4.4
138.09143	5.3
140.07011	1.2
144.04446	10.2
146.05954	1.8
148.07619	1.1
150.05511	1.4
151.06285	2.3
152.07082	87.1
153.07881	0.7
154.08719	0.9
160.03905	1.2
162.05511	3.9
164.07101	0.9
165.51852	0.7
166.08665	28.7
167.05685	0.9
172.03951	52.5
173.04237	0.9
174.05583	1.0
182.08151	25.3
182.09767	1.5
190.04973	6.6
194.08148	100.0
195.08475	1.2
200.09221	3.6
204.06589	90.3
205.06828	2.0
212.09200	87.8
213.09727	2.1
229.09712	0.7
233.11855	1.4
241.09793	3.6
242.07932	1.0
250.14357	1.8
255.06696	1.7
255.11218	1.9
259.10779	6.6
271.03091	0.8
271.06015	17.1
272.06354	0.8
273.12408	2.4
279.11295	1.0
283.10760	5.1
286.25961	0.8
293.09073	0.7
295.10992	0.9
297.12509	2.0
299.13937	1.2
300.06564	1.0
301.11874	10.9
313.11923	0.8
315.08774	5.6
315.13342	3.8
319.12982	7.2
323.10327	4.2
325.11905	12.8
333.14502	11.7
337.14029	1.3
339.13409	1.6
343.12848	2.6
349.13870	1.1
351.15601	3.8
357.14471	16.3
396.11667	1.1
492.17215	1.5
494.19052	2.1
504.03162	0.7
506.19119	1.8
508.20975	4.4
524.20221	2.9
575.36133	0.8
657.25854	1.2
725.37097	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	725.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03905	1.9
55.01838	1.4
55.05478	0.5
57.03395	1.9
61.02902	1.0
67.05464	0.9
68.99756	0.7
69.03433	11.5
69.81010	2.5
71.04943	1.2
73.02910	2.1
79.05453	1.0
81.03418	10.0
81.07034	0.9
83.51427	0.4
85.02910	13.0
85.69359	0.5
87.00836	2.9
87.04454	0.7
89.03915	2.6
91.05478	3.8
93.07000	0.7
95.04937	0.6
95.08594	0.7
97.02891	6.0
99.04458	3.4
102.04627	0.7
103.03899	1.2
103.05481	2.7
105.01804	1.5
105.07084	2.1
105.07640	0.5
107.04941	0.6
107.08543	0.7
109.02885	7.3
109.10106	0.9
115.03928	0.6
115.05433	0.6
115.63750	0.4
117.02635	0.5
117.03387	7.3
118.04155	0.7
119.04931	3.0
119.08538	0.6
121.06488	0.8
123.00789	1.0
124.05190	1.6
127.03922	10.5
127.05370	0.8
128.06171	1.0
129.01782	0.9
129.06982	0.9
130.04108	1.3
131.04048	0.5
131.04945	8.9
133.06485	0.6
135.04399	0.5
137.05960	3.6
145.02858	2.9
145.04893	1.7
145.06429	0.8
146.03624	3.9
147.04401	4.0
147.11676	0.5
148.05095	0.7
149.05934	0.7
150.06694	0.4
151.07475	0.9
152.08318	0.9
153.33632	0.5
155.03723	0.6
155.04919	9.3
155.06018	0.7
155.06976	0.5
156.05740	0.9
159.02841	1.3
161.05998	5.2
162.06764	2.9
163.06274	0.7
163.07544	9.5
165.09146	0.6
168.05702	0.5
171.04388	1.7
175.03906	1.0
177.05368	0.4
179.07062	0.6
180.07790	2.3
183.04424	10.5
184.05107	1.2
185.06021	3.0
187.06015	1.7
195.04518	0.7
196.05258	0.5
197.05879	0.5
206.28949	0.4
211.03932	5.0
212.04701	3.5
213.00400	0.4
213.05484	0.8
223.03841	1.0
225.05495	0.8
231.05092	0.8
237.05461	0.5
239.03392	15.7
239.98727	0.4
240.04185	3.1
241.04942	4.3
243.06386	0.5
251.03441	0.6
253.04993	1.0
254.05705	2.2
265.05017	0.6
267.03030	2.3
267.15839	0.6
268.03711	2.6
268.06110	0.5
269.04462	91.7
270.04813	2.3
281.04282	0.6
282.05273	1.2
283.05997	0.8
288.70657	0.5
295.06009	1.0
297.03949	45.1
298.01236	0.5
298.04712	15.3
299.05505	18.5
300.05774	0.8
309.03802	0.9
323.05542	0.6
339.04959	1.1
353.06766	0.6
368.90222	0.4
427.08212	2.5
444.08511	0.7
447.10733	5.7
451.21686	0.4
459.10770	22.7
459.27643	1.2
460.11310	0.9
460.27814	0.5
472.10864	0.5
477.11841	100.0
478.12103	2.6
489.12308	0.5
519.12927	0.5
585.13501	0.6
639.17163	6.8
681.18127	3.5
707.15961	1.7
725.17230	15.5
726.17377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07605	1.0
52.56908	1.0
53.03927	3.6
55.01863	2.9
55.05514	12.0
55.63257	1.0
57.03194	1.0
57.03444	12.3
67.05506	19.3
69.03407	4.1
69.07065	4.4
70.99905	2.6
71.00252	1.3
71.04981	3.7
79.05494	20.9
80.44627	1.0
81.03423	85.0
81.07065	20.1
83.04984	9.6
83.08628	18.0
85.02907	12.2
91.05484	27.0
93.07046	13.5
95.04367	1.3
95.04974	26.0
95.08619	9.4
97.02892	4.0
97.06506	2.8
97.10147	4.5
99.08070	2.9
105.07037	18.5
107.04965	7.9
107.08601	6.8
109.06487	5.0
109.10164	3.2
111.04435	2.0
111.08095	9.7
113.05958	2.2
117.06998	2.3
119.08588	17.1
121.06500	4.0
121.10130	9.2
123.08052	3.6
125.09633	3.8
128.06306	1.1
129.07024	11.3
131.04950	1.5
131.08565	12.8
133.06465	4.8
133.10126	6.9
135.08083	1.7
135.11662	1.3
137.05995	1.1
137.09586	1.4
142.07764	3.2
142.64256	1.1
143.08548	2.3
145.06459	3.6
145.10098	3.2
147.08061	4.1
147.11705	10.7
149.09610	7.1
151.11163	1.1
157.06496	2.0
157.10146	13.3
159.11610	1.2
160.30989	1.0
163.11221	1.3
165.12708	1.1
175.11157	13.1
183.04309	1.0
183.08145	1.1
193.10632	1.9
193.12265	28.8
195.11787	1.2
197.13274	1.2
199.11002	1.1
201.33261	1.1
205.12257	1.3
211.13292	14.8
212.13582	1.4
213.12724	1.2
234.21280	1.2
249.14816	2.5
255.13766	2.1
267.15927	100.0
268.16129	1.8
269.04346	2.2
273.14819	3.1
285.16977	16.7
297.03909	1.2
341.21207	1.6
344.79581	1.1
349.21643	2.4
367.22696	10.5
385.23740	12.5
403.24783	4.3
415.24777	1.1
425.63647	1.0
433.25888	13.7
441.26312	6.5
459.10535	1.8
459.27451	72.0
460.27402	2.8
477.11859	1.7
477.28452	41.0
478.28790	1.8
519.29321	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49177	0.3
53.03923	0.4
53.29564	0.3
55.01870	0.8
55.70692	0.4
61.02910	0.4
61.96473	0.4
65.49145	0.3
69.03426	1.0
69.07059	0.5
69.50062	2.2
73.02903	0.9
73.20316	0.3
74.33506	0.4
79.05506	2.4
80.19022	0.4
81.03420	0.6
81.07057	0.4
85.02919	2.4
91.05485	1.5
93.07050	0.8
95.01363	0.4
95.04931	0.9
97.02875	0.8
105.03416	0.9
105.07029	0.8
107.04958	7.9
107.08579	0.4
107.11843	0.4
108.05714	0.8
109.02835	0.6
109.06526	0.9
115.05456	0.8
117.07018	1.3
119.04997	0.5
121.06511	0.9
121.10124	0.4
123.04488	0.6
124.05199	1.6
125.06025	0.8
127.03876	0.9
129.06949	0.6
131.04979	0.4
131.08571	1.6
133.06494	1.1
133.10124	0.4
135.04381	2.1
136.05196	1.2
137.05882	0.4
139.07556	4.5
141.07011	0.8
145.06473	1.5
145.10205	0.5
147.04378	0.8
148.05177	1.7
149.02383	1.5
149.06006	0.5
151.07541	9.3
153.05515	0.5
155.04907	0.5
155.07057	0.7
155.08557	0.9
159.04388	3.3
159.08061	1.4
159.11687	0.5
161.06015	1.2
162.06799	1.4
163.03900	1.1
164.04858	0.4
165.05536	0.7
165.06934	0.6
165.09102	1.4
167.03426	1.3
167.07074	4.7
169.06519	1.7
170.07190	0.6
173.05992	3.9
176.04662	0.6
177.05479	4.2
178.06281	1.3
179.07037	29.3
180.07440	0.7
181.04985	1.1
183.08032	1.4
187.03943	0.5
187.07549	3.9
189.05428	0.4
191.07047	10.2
192.07828	10.5
193.08607	2.1
195.08153	0.6
198.06772	1.6
201.05479	13.6
201.09131	1.2
205.08563	1.0
210.06697	0.5
211.07524	5.8
215.07019	3.8
219.06558	7.2
227.07074	0.6
229.08618	8.8
237.07535	0.4
239.07031	0.6
257.08051	0.9
341.10074	0.9
365.13901	1.3
370.58963	0.4
375.12366	0.4
383.14755	0.6
383.39383	0.4
393.13303	3.6
411.14398	100.0
412.14645	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	723.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01871	1.4
64.70107	1.2
67.05500	3.3
69.03417	1.8
69.07057	2.3
69.73448	1.1
70.25996	1.8
70.26368	2.6
79.05484	5.1
80.05013	4.4
81.03391	2.0
81.05811	1.7
81.07050	3.2
82.06590	3.5
85.02914	1.9
91.05507	6.7
93.07056	14.2
94.06586	15.3
95.04992	2.2
95.07346	16.5
95.08624	1.3
96.08134	24.7
97.06499	1.4
103.05474	4.6
105.05769	1.3
105.07009	1.2
106.06565	2.5
107.07341	1.9
107.08637	1.1
108.08127	14.4
109.08892	2.5
110.09689	43.9
111.10017	1.0
113.72163	0.9
119.08607	1.8
119.32330	0.9
120.08118	79.4
121.08855	3.8
122.06040	1.7
122.09674	5.0
123.06774	2.0
124.07590	1.5
128.07085	1.5
131.07329	4.9
136.07562	4.0
137.05965	1.9
138.09149	73.0
140.07011	1.1
146.09648	6.4
148.07588	6.9
150.09183	2.8
152.07033	1.4
160.07562	2.7
166.08659	44.8
172.11182	1.4
174.09166	13.4
177.05544	2.9
188.10699	1.8
192.10211	2.0
204.06488	1.9
220.09744	5.3
223.08794	2.4
235.08501	1.2
236.09158	1.6
237.06570	2.2
239.08202	3.9
243.11574	1.6
249.10426	1.4
251.08157	7.1
253.06018	1.4
253.09795	2.2
255.07410	1.3
263.08206	1.3
265.06122	2.9
265.09674	1.9
267.07791	2.3
277.09576	1.4
279.07706	2.8
281.09207	1.7
292.10425	1.2
297.08627	1.5
302.12939	1.6
313.07047	3.3
316.10770	1.9
317.12051	2.7
326.09213	1.4
328.14664	1.9
329.12158	1.3
330.12640	1.9
331.13336	1.4
332.13965	4.1
344.10342	2.9
345.11429	2.8
346.11835	2.4
346.15659	1.4
347.12656	1.4
348.13376	1.8
356.13910	2.1
358.11780	2.8
359.12933	2.6
360.13556	7.7
362.15125	1.3
372.09744	2.3
374.10992	2.7
374.15088	3.7
376.12704	2.8
378.14682	1.8
384.13434	2.9
387.12189	2.5
388.12927	17.2
389.13528	1.5
401.13739	3.0
402.14563	12.6
403.15530	2.0
404.12317	4.8
404.16904	1.8
406.14111	1.4
412.12683	2.0
416.12463	20.4
422.13431	3.3
429.13467	1.8
430.13983	26.1
431.14182	2.2
432.15710	10.3
434.13455	2.6
448.15030	8.2
454.15576	1.5
458.13495	15.6
476.14578	100.0
477.14987	4.6
490.15866	2.2
494.08575	2.3
494.15659	44.2
495.15872	1.3
508.17221	46.9
509.16895	1.5
512.16827	6.4
526.18347	8.9
579.21588	1.5
595.21991	6.4
597.23669	5.3
609.23621	2.4
613.23389	5.6
623.21515	9.0
627.24591	12.8
637.22009	1.9
641.22485	19.1
645.25555	6.0
655.13751	2.1
655.24060	32.6
656.23944	3.0
659.26794	14.5
673.25031	9.4
677.28162	8.2
687.26166	3.7
705.27399	4.0
723.40881	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01870	1.6
55.05514	5.1
65.03952	1.2
67.05507	4.8
69.03419	1.1
69.07059	2.6
71.55903	1.0
75.04527	0.8
79.05500	8.2
81.03403	3.0
81.06657	0.8
81.07068	7.1
82.80960	0.8
83.04985	1.0
83.08627	1.8
91.05490	8.6
93.07052	6.0
95.04961	2.9
95.08604	3.5
97.06537	1.2
97.10158	2.9
103.05470	2.1
105.07036	5.7
107.04980	3.4
107.08591	3.6
109.06529	4.5
109.10187	1.6
117.07005	2.3
119.04939	1.9
119.08606	5.0
121.06510	14.0
121.10126	1.4
123.04460	1.3
125.05938	1.5
125.09615	2.7
128.06221	0.9
129.07013	1.8
131.04941	2.4
131.08586	2.0
133.06409	1.0
133.10155	2.1
135.04404	1.5
135.08075	1.5
135.11725	0.9
136.05205	3.8
137.06044	1.0
137.13222	1.1
138.06790	1.7
139.07524	3.7
141.06981	2.1
143.08546	1.0
145.06477	1.6
145.10139	1.5
147.04402	9.1
147.08029	2.4
147.11719	1.7
148.05214	5.7
149.02335	1.7
149.06001	8.4
149.09581	1.0
150.03885	0.9
151.07547	20.9
153.05484	2.1
155.08554	3.3
157.10178	1.7
159.04410	1.8
159.08044	1.4
159.11719	0.9
161.02351	3.9
161.05957	5.1
163.03908	3.4
163.07570	4.7
164.04668	8.8
167.03389	1.1
167.07054	13.0
167.08438	1.7
171.04440	1.0
171.07994	1.5
173.05888	1.1
175.03934	2.7
175.07661	1.7
176.04677	3.4
177.05475	19.1
179.07042	26.5
179.08551	1.9
181.04933	1.3
181.08591	3.1
183.08043	2.0
185.06007	5.1
185.09682	1.8
187.03929	13.9
187.05571	1.6
187.07549	2.7
189.09209	4.1
189.11156	4.5
191.07037	64.6
192.07817	100.0
193.08260	1.0
195.08099	1.9
198.06886	1.5
199.07533	1.7
201.09145	9.5
203.07036	67.3
205.04971	10.1
207.06540	16.0
209.08107	11.5
211.07507	3.7
213.09105	8.7
215.07025	2.0
221.07991	2.1
225.09151	1.1
227.06979	2.4
229.08586	15.8
241.08537	1.3
243.10210	7.7
246.10486	1.0
251.10840	1.0
261.09259	1.5
269.08356	1.2
275.20007	3.8
277.08609	0.9
279.09937	1.5
281.11819	0.9
291.06583	1.9
291.10132	1.2
293.08163	2.4
303.10229	1.4
305.08282	1.4
305.11673	1.1
308.10336	1.8
313.15036	1.0
315.55017	0.9
319.06085	1.6
319.09604	1.2
321.11237	6.8
323.12701	5.2
333.11191	1.4
336.13544	1.7
337.10641	3.1
337.14236	1.0
339.15875	6.3
347.09207	1.5
349.10721	10.3
349.14444	2.1
361.10886	1.2
363.08463	1.3
365.13809	2.0
367.15408	36.6
368.15543	1.3
379.11783	1.4
381.13300	6.6
393.13290	3.4
395.14615	1.0
411.14392	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01880	0.7
55.05523	0.7
57.03432	0.4
61.02927	0.4
65.03934	0.4
67.05507	1.2
68.99817	0.3
69.03436	2.5
69.07068	0.7
71.04983	0.4
71.57679	0.3
73.02934	0.7
78.50737	0.3
79.05491	1.3
81.03429	1.5
81.07059	2.3
83.04989	0.4
83.08626	0.5
84.08146	0.4
84.64333	0.3
85.02912	4.6
85.06541	0.5
91.05486	2.0
93.07040	1.4
95.04417	0.3
95.04979	0.8
95.08606	1.8
97.02895	1.5
97.10178	0.4
99.04430	0.5
103.05479	0.4
105.01875	0.3
105.07027	0.8
107.04964	2.4
107.08611	1.1
108.05752	1.2
109.02885	1.2
109.06461	0.4
109.10176	0.8
111.27345	0.3
112.55459	0.3
118.04178	0.3
119.04960	0.7
119.08595	1.0
121.06518	3.0
121.10159	0.8
123.08075	0.7
123.11758	0.6
125.05984	0.3
125.09614	0.4
127.03910	1.2
129.07019	0.4
131.08557	0.6
133.02890	0.6
133.10162	0.6
135.04449	1.2
135.11659	0.7
136.05203	7.1
137.05991	0.4
139.07526	1.2
143.08493	0.5
145.02859	0.4
145.10115	0.4
147.11684	0.5
148.05193	5.5
149.13336	0.3
151.07552	39.9
152.07913	0.5
159.08066	0.4
159.11658	0.6
161.05905	0.3
164.04713	0.5
165.05519	0.5
165.09114	0.7
167.07057	0.7
168.78711	0.3
177.05502	1.5
179.07045	100.0
179.69882	0.3
180.07393	1.5
181.04984	0.6
189.05414	0.5
191.07033	2.4
192.07823	3.2
193.08492	0.5
220.07359	0.4
227.06984	0.5
243.02826	0.4
245.08061	0.4
251.07146	0.3
285.07864	0.4
295.05939	0.4
323.08820	0.4
409.12546	0.6
425.12357	0.4
427.13892	5.4
439.13947	16.6
440.14240	0.4
451.13861	4.7
469.08414	0.4
469.15027	7.4
475.13739	0.6
489.15381	0.5
493.14972	11.3
505.15018	11.9
506.14984	0.6
517.15112	0.7
523.16028	5.7
535.15796	0.7
541.17230	0.7
557.86566	0.3
644.49963	0.3
667.19489	0.9
721.37085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	56.2
66.45786	0.7
67.05499	1.5
70.03474	2.9
70.98118	1.9
71.95268	1.0
79.05486	0.7
81.03405	0.8
84.96051	5.0
91.05479	3.1
95.08543	0.9
98.21445	1.4
106.97227	0.6
109.10169	1.0
129.07039	0.8
136.97211	0.6
143.29681	0.6
149.02394	0.9
187.04382	0.7
200.52417	0.7
207.03342	0.9
209.01155	1.2
225.04477	1.4
227.02231	1.9
240.03183	0.7
241.05380	0.7
243.05295	0.9
247.06444	0.9
253.05576	1.0
259.06470	0.8
259.61118	0.6
265.05164	0.9
267.07156	1.4
267.10062	1.4
268.07791	1.7
268.10492	0.9
269.05093	0.9
269.08020	0.9
271.06345	2.3
272.07071	1.0
275.06036	1.1
279.13913	0.8
280.07510	1.7
281.04922	1.2
282.05664	1.5
283.06299	5.1
285.07980	9.3
286.05191	1.1
286.08459	1.1
287.05811	1.5
289.07550	1.4
294.05536	0.8
296.03571	1.0
297.04657	0.9
297.07913	4.5
298.05280	1.1
298.08487	1.4
299.06009	1.9
299.09564	2.9
300.06668	0.9
301.07489	5.3
303.08994	6.2
305.08270	0.9
308.09659	1.3
311.05826	1.5
312.06561	3.6
313.07404	2.1
313.10727	0.9
315.08969	9.1
317.07159	0.9
317.10593	3.7
321.14914	1.1
323.05969	0.9
323.09305	6.2
324.16718	1.0
325.07440	1.3
327.05505	0.8
327.12778	1.1
329.06940	2.5
330.07932	0.9
331.08832	1.2
333.11380	0.8
335.13190	24.1
337.11389	1.3
338.11197	1.0
341.10703	1.2
343.08557	2.6
347.07968	1.2
351.12720	8.9
353.14267	100.0
354.14563	2.7
361.09921	1.5
363.12848	1.3
369.13873	3.4
371.15308	14.4
376.15891	11.5
379.12259	2.2
381.13785	6.0
391.12421	0.8
394.16983	1.4
397.08936	1.3
397.13287	6.3
399.14801	7.0
415.14484	2.8
420.14941	1.1
492.51740	0.9
495.14948	0.7
499.14114	1.2
527.14966	0.8
551.17395	2.0
575.25201	0.8
583.21594	3.0
589.22607	1.2
601.22693	17.7
607.15027	0.8
619.23706	13.0
620.23724	1.0
642.25342	1.4
645.21741	9.5
657.28906	28.5
658.28662	1.2
663.22552	2.4
675.30072	4.3
701.27863	28.8
702.28479	1.8
719.28815	4.4
719.45728	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	717.308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
54.03452	0.3
55.01867	0.6
60.96432	0.3
61.02914	0.4
65.03938	0.4
67.05500	0.6
68.05032	0.6
69.03449	2.3
69.04555	0.5
69.07078	2.1
71.04990	0.8
71.56155	0.7
72.08158	0.4
73.02901	0.3
79.05505	2.0
81.03471	2.2
81.04547	32.4
81.07042	1.1
82.05322	0.6
83.04988	5.3
83.06094	1.3
85.02911	2.5
91.05479	2.1
93.07047	2.1
95.04963	1.2
95.06097	21.1
95.08569	0.5
97.02869	1.3
97.06538	4.2
99.04448	1.5
99.05580	0.4
103.05442	0.4
105.07037	6.3
107.04935	0.7
107.06093	0.6
107.08586	1.4
109.02887	0.8
109.06519	1.5
117.05529	0.5
117.07016	1.2
119.04982	0.4
119.08583	1.0
119.68895	0.3
121.06515	4.0
123.08096	0.3
125.06023	6.6
125.07115	32.0
127.03923	0.7
129.06978	0.6
130.07768	0.6
131.04942	1.0
131.08542	1.7
133.06470	1.1
133.10158	0.6
135.04387	0.4
135.07964	0.5
137.05978	1.2
141.64409	0.3
143.08165	100.0
144.08507	1.0
145.06487	1.1
145.10135	6.2
147.11632	0.4
149.05949	0.7
151.07552	0.9
154.07794	0.5
155.08591	0.8
155.52357	0.3
158.07294	0.8
159.08081	0.9
159.11723	3.2
161.09676	0.4
163.07545	0.6
163.11159	1.7
169.10144	1.0
173.09622	5.1
177.05492	0.6
177.12723	0.6
179.08542	0.4
187.11180	4.8
189.12657	0.5
191.10759	1.8
195.08347	0.3
197.09628	1.4
205.12241	2.4
212.25957	0.3
215.10684	3.2
233.11711	2.0
251.12831	1.0
293.08847	0.5
305.13528	1.4
348.38126	0.3
413.18130	0.4
555.25568	12.4
575.22827	0.3
717.30835	30.8
718.31317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53661	1.7
69.54077	1.1
76.92923	0.5
81.03424	0.5
81.07055	0.6
86.23895	0.4
93.07063	0.5
95.08606	1.0
100.81775	0.4
105.67287	0.4
106.05398	0.4
107.62273	0.4
109.10157	0.5
112.24569	0.4
116.22136	0.5
133.03513	0.5
161.06024	0.6
173.86020	0.4
185.04274	0.9
203.05310	1.5
213.29494	0.5
259.07855	2.0
317.19769	0.9
347.09518	1.5
365.10538	3.5
387.90268	0.4
391.24542	1.8
421.13040	2.2
553.29907	18.4
554.29773	0.6
715.35132	100.0
716.35590	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	715.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.4
50.60123	0.2
51.02394	0.6
53.03954	3.3
55.01878	0.3
55.05512	0.5
61.02938	0.6
61.68801	0.2
67.05499	0.4
68.99810	0.3
69.03442	0.5
69.07057	0.3
77.03930	0.9
79.05495	0.6
81.03429	0.6
81.07057	0.8
83.04991	2.0
85.02920	1.3
85.06535	0.6
89.03944	0.4
91.03935	0.3
91.05485	0.6
93.07057	0.5
95.04983	4.8
95.08614	0.7
95.52594	0.2
97.02869	0.6
97.06555	0.2
105.03403	100.0
106.03728	0.9
107.08581	0.4
109.02888	0.4
109.06462	0.2
109.10172	0.8
111.00813	0.4
111.04445	0.6
117.03397	0.9
119.04977	0.3
119.08569	0.4
121.02898	1.1
121.10146	0.4
123.04456	0.3
123.08098	0.2
127.03934	0.7
129.05492	0.3
129.07028	0.2
131.08607	0.3
133.02835	0.3
133.10144	0.5
135.04358	0.2
135.11736	0.3
137.02339	1.4
137.03249	0.2
137.05965	1.7
143.08565	0.2
145.02869	2.4
145.04836	0.2
149.06003	0.6
149.13272	0.3
153.01849	1.5
157.10071	0.2
161.13228	0.3
163.03922	0.3
165.01859	0.7
173.06024	0.4
177.05496	5.0
183.02940	0.2
201.05482	0.6
229.05034	2.1
233.08127	0.2
238.97015	0.2
247.06039	0.2
251.09181	7.4
257.04514	1.3
274.04755	0.3
275.05588	0.3
285.04053	0.5
287.05450	0.6
287.23459	0.2
303.05023	47.0
304.05240	0.8
321.10211	0.2
325.10645	0.3
338.51862	0.2
339.10754	0.4
415.08154	0.9
429.05859	0.5
441.05945	1.3
483.07376	0.3
565.10767	0.6
577.11383	2.1
595.12311	0.4
619.12195	1.2
631.12250	0.8
643.11987	0.8
661.12933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
53.03952	2.8
55.01869	0.2
55.05505	0.5
58.40073	0.3
67.05515	0.7
69.03426	0.9
69.65151	1.4
77.03939	0.8
79.05479	0.4
81.03423	0.4
81.07069	0.4
83.04523	0.2
83.04987	4.2
85.02911	0.8
91.05468	0.3
93.07028	0.3
95.04979	3.5
95.08589	0.5
97.02892	0.4
102.05576	0.3
102.58972	0.2
105.03398	100.0
105.70983	0.2
106.03722	1.0
107.08571	0.2
109.02906	0.3
111.04453	5.4
117.07034	0.3
119.08588	0.3
121.02908	0.3
123.04467	0.5
127.03899	0.5
129.05461	0.5
137.02356	1.1
137.06004	0.6
145.02872	0.6
147.04407	0.3
151.03990	0.3
153.01839	0.9
161.97813	0.2
165.01855	0.4
177.05533	0.7
189.05490	0.6
190.01593	0.2
201.05534	0.4
229.04907	1.1
233.08107	24.4
234.08517	0.2
251.09184	5.8
257.04572	0.8
285.03979	0.3
287.05255	0.4
298.14886	0.3
299.10574	0.2
303.05011	23.7
304.05478	0.5
332.82117	0.2
376.73666	0.3
492.46198	0.2
567.79529	0.3
715.28455	0.2
715.50757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.5
54.14477	0.3
55.01854	0.5
55.05475	0.5
56.96542	0.4
57.01997	0.3
57.03418	0.5
65.03916	0.4
67.05479	0.6
69.03436	2.9
71.04955	0.3
71.56409	0.4
73.02868	0.5
75.92906	0.3
79.05459	1.0
81.03428	2.6
81.07014	1.1
85.02900	2.9
87.00777	0.5
91.05431	1.4
93.07016	1.1
95.01293	0.8
95.04912	0.5
95.08559	1.2
97.02915	1.6
99.04421	0.7
102.04653	0.9
103.03940	0.4
103.05476	2.7
105.01828	0.3
105.06403	0.3
105.07036	4.1
107.04948	0.7
107.08558	0.8
107.56676	0.3
109.02859	1.2
109.10110	0.6
110.35640	0.3
115.05437	0.5
118.04118	1.1
119.01212	0.4
119.04913	1.3
119.08530	0.5
121.06503	0.7
121.10152	0.6
122.03656	0.3
123.00777	2.6
123.04346	0.4
127.03925	2.0
128.06157	0.9
129.01881	0.4
129.06876	0.3
130.04123	1.3
131.04031	0.5
131.04941	8.5
132.05688	0.5
133.02821	0.3
133.06500	3.1
135.04405	1.8
135.08002	0.4
135.11687	0.5
137.02344	0.4
137.05992	2.2
139.03871	0.6
139.05379	0.3
141.06975	0.6
145.04959	0.7
146.02670	0.3
146.03647	4.1
147.04419	2.6
147.11731	0.5
148.05128	1.0
149.02321	0.5
149.05963	0.7
151.07538	0.8
152.01039	2.1
152.06146	0.4
152.08281	0.3
153.05547	0.4
153.06783	0.3
156.05658	0.7
161.04774	0.5
161.05992	6.3
162.06754	2.4
163.03914	0.3
163.07549	5.3
164.08234	0.6
165.09119	0.4
168.05681	1.2
169.06499	0.6
170.02095	0.5
171.06648	0.6
171.08058	8.3
177.05463	0.9
179.07033	0.7
180.07803	0.4
181.06473	0.7
183.08043	1.5
184.05151	2.3
185.05975	0.5
187.05998	0.3
187.07500	0.4
189.09062	0.3
195.04370	0.4
196.05144	0.6
199.07576	0.8
209.05940	3.4
211.07558	1.1
212.04654	1.3
213.05482	0.4
223.03871	0.7
225.05432	0.6
227.07079	1.1
229.08643	2.6
239.03453	0.5
239.07024	0.8
240.04140	1.6
240.07777	2.9
241.04860	0.8
251.07092	0.4
252.04170	1.1
253.04965	0.9
255.06529	100.0
256.06967	2.4
268.07358	0.4
269.04419	0.8
269.08060	1.0
269.10562	0.4
270.05261	0.5
271.06396	0.4
281.08145	2.0
282.05298	0.4
283.06030	34.0
284.06784	13.2
284.10001	0.5
285.07578	22.4
287.05408	0.4
293.08051	0.6
295.06061	0.6
299.05591	0.8
301.07187	0.6
339.08661	0.3
369.19434	0.4
385.10684	0.5
413.10242	5.4
430.10461	0.7
433.12619	1.7
445.12845	26.9
446.13071	0.5
447.14337	0.4
463.13916	36.3
464.14349	1.3
505.15170	0.6
513.40002	0.3
625.19220	11.0
626.19763	0.4
667.20209	8.3
693.18054	2.1
711.19238	18.3
711.32532	1.7
712.19952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.01840	1.1
57.03395	1.5
57.18716	0.5
61.02904	1.3
69.03436	9.3
69.82747	2.4
71.04974	1.2
73.02886	1.6
75.31267	0.5
81.03426	7.5
83.83366	0.5
85.02914	10.4
87.00796	2.1
87.04444	0.7
91.05443	2.2
96.18897	0.5
97.02915	4.3
98.21518	0.5
99.04461	2.5
101.02357	0.5
102.04639	0.6
103.03941	0.9
103.05434	2.1
105.01854	0.8
105.07040	4.1
107.04959	0.6
109.02894	4.7
118.04144	1.0
119.04954	2.7
121.06488	0.6
123.00809	2.8
123.04430	0.7
124.05191	1.7
127.03940	6.7
128.06213	1.3
130.04152	1.1
131.04176	0.6
131.04941	6.4
132.05690	1.0
133.02815	0.5
133.06483	2.8
135.04413	1.1
137.05962	2.8
137.48756	0.6
145.04951	1.9
146.03647	2.9
147.04451	2.8
149.05917	0.7
152.01109	2.4
156.48041	0.5
160.90784	0.5
161.05988	5.2
162.06766	2.6
163.07538	6.7
171.08066	8.5
179.06964	0.7
180.07788	2.2
181.06453	1.0
183.08069	1.1
184.05183	2.0
187.05980	2.0
202.35612	0.6
209.06003	3.3
211.07530	1.1
212.04701	1.4
213.05487	0.6
223.03949	0.6
229.08597	2.7
231.05124	0.6
239.03465	0.9
239.07101	0.8
240.04105	1.4
240.07793	3.1
252.04187	1.5
253.04973	1.4
255.06535	100.0
256.07101	2.7
268.07349	0.9
269.08310	0.7
270.05322	0.9
281.08249	1.5
283.06033	40.6
284.06778	16.7
285.07578	19.7
295.05963	1.3
325.07080	1.0
326.36542	0.5
329.32605	0.5
339.08633	0.6
376.08203	0.5
413.10229	2.1
430.10233	0.5
433.12830	5.2
445.12866	19.7
446.13574	0.6
463.13934	82.1
464.14474	3.7
505.15186	0.9
625.19263	6.7
667.20258	4.2
693.17688	1.1
711.19232	19.0
712.19464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96735	0.1
53.03942	0.1
55.05519	0.1
59.09387	0.1
59.57089	0.1
63.55360	0.1
65.03929	0.1
66.04017	0.1
67.01866	0.5
67.05499	0.4
68.99771	0.4
69.03427	0.2
71.01182	0.1
71.27292	0.1
71.27603	0.1
79.05507	0.3
81.03424	0.3
81.07051	0.4
85.02921	0.1
89.03928	0.1
91.05484	0.3
93.07067	0.3
95.08598	0.3
97.02876	0.2
105.07012	0.1
107.04963	0.1
107.08595	0.2
109.02872	0.2
109.10158	0.1
111.00788	0.1
111.04430	0.1
117.03378	0.2
117.06993	0.1
119.08566	0.1
121.10181	0.2
127.03918	0.1
129.01839	0.2
131.08644	0.1
133.10109	0.1
135.04427	1.7
135.11702	0.1
137.02350	0.6
138.85625	0.1
145.10042	0.1
153.01833	5.6
159.11638	0.1
161.02344	0.8
171.02899	0.7
173.13283	0.1
179.03455	0.4
185.05986	0.1
189.05379	0.1
194.35143	0.1
201.05534	0.1
203.03329	0.1
213.05446	0.2
219.06540	0.2
241.04974	0.6
245.04501	0.2
259.06168	0.1
261.22168	0.1
263.05478	0.1
264.34363	0.1
269.04413	0.4
287.05499	100.0
288.05814	1.8
475.98434	0.1
611.01636	0.1
627.45520	0.1
709.31860	0.3
736.78400	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.05516	9.1
57.03182	1.2
57.03441	13.5
57.07076	1.3
61.02684	0.9
61.02932	10.1
65.03935	1.7
67.05170	1.3
67.05511	23.5
69.03408	2.2
69.07076	10.0
71.04990	3.6
71.57620	0.9
71.58018	1.4
73.02908	3.4
75.04470	1.0
77.04017	0.8
79.05496	27.0
81.03402	2.5
81.07063	32.5
83.04969	2.1
83.08630	4.8
85.02911	12.8
85.06535	2.7
85.21472	0.7
87.04432	1.0
91.03949	7.9
91.04890	0.9
91.05484	21.3
93.07053	38.2
94.07393	0.8
95.04953	3.4
95.08612	27.7
97.02898	6.7
97.06547	3.9
97.10180	1.7
99.04487	1.8
99.08080	2.5
101.05902	0.7
105.07035	23.7
107.04960	1.3
107.08604	26.5
109.01478	0.7
109.02840	0.8
109.06522	4.4
109.10165	12.2
111.08092	2.6
112.71964	0.8
113.09669	2.2
117.07027	9.0
119.08588	20.4
119.57408	0.9
121.06470	1.2
121.10155	21.7
123.08081	2.1
123.11697	2.4
125.09615	1.6
127.03919	3.2
129.07005	4.2
131.07068	1.4
131.08585	14.9
133.10138	17.8
135.08057	1.5
135.11707	15.4
137.09631	2.2
137.13217	1.1
143.08588	4.3
145.04938	3.2
145.10139	13.8
147.08083	1.0
147.11685	14.3
149.09639	2.0
149.13254	8.5
151.11145	1.2
157.10127	3.4
159.11702	11.5
161.13280	8.4
163.06020	2.9
163.11276	1.1
163.14813	2.3
165.12704	0.9
171.11713	3.9
173.13232	5.1
175.11249	1.1
175.14854	4.5
177.12730	2.8
179.14313	1.1
185.13208	5.3
185.75215	0.8
187.14842	7.0
195.13776	1.7
199.14833	2.8
201.16399	3.1
203.17990	1.2
205.15894	2.9
213.16370	1.9
219.17497	2.6
221.15472	0.8
221.19089	1.8
229.14360	1.1
231.17404	1.5
231.21111	1.1
241.19536	9.6
259.20590	24.5
269.17502	6.1
277.21652	24.8
293.21124	1.8
295.22836	0.9
311.22336	1.1
333.24332	5.2
351.25317	100.0
352.25659	2.2
369.26215	4.0
393.26343	1.6
403.24933	1.0
409.26367	1.0
421.25897	1.5
429.26544	0.9
441.26508	1.1
459.27423	1.4
477.28293	2.3
495.29413	2.9
513.30548	7.4
519.85791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.4
57.03433	0.4
63.08557	0.4
70.39935	0.4
70.40263	1.2
79.05489	0.6
81.07053	0.5
81.21721	0.4
84.08142	2.3
85.02892	0.6
93.07043	1.0
94.06579	1.0
95.07339	0.8
96.08144	2.5
97.02862	0.5
108.08145	2.1
110.09688	3.9
120.04488	1.1
120.08105	3.5
122.06078	0.7
124.07627	0.5
127.03896	0.7
135.11803	0.5
135.24176	0.4
136.07568	2.9
137.05974	0.7
138.09160	5.2
148.07594	1.1
150.09134	0.8
152.07076	1.2
154.88844	0.5
158.99565	0.4
160.07706	0.4
164.07106	0.6
166.08638	7.2
167.05446	0.5
167.07114	0.5
172.03947	1.9
172.10191	0.4
177.05423	0.4
177.07822	0.4
181.05104	0.4
188.03830	0.5
190.05086	0.5
192.10217	0.7
194.08203	1.0
204.06575	2.6
209.10849	0.5
211.12340	0.5
212.09497	0.9
213.10269	0.5
223.08702	0.5
223.12233	0.5
225.10269	1.8
226.11086	0.4
227.11835	0.6
235.08711	0.5
236.09236	0.8
237.10289	2.9
238.11044	0.7
239.08177	1.1
239.11823	1.4
241.09706	0.6
244.29883	0.4
248.09351	0.7
249.10316	2.5
250.10994	1.1
251.08195	1.2
251.11847	2.6
252.12701	0.6
253.09740	2.2
255.11365	0.5
261.10321	0.8
263.11810	1.5
264.08984	0.6
265.09732	3.9
266.10559	0.7
267.11356	2.6
269.12985	0.5
271.10822	1.7
277.09833	1.0
278.10513	1.6
279.07718	2.4
279.11343	4.2
280.08545	0.5
280.12076	1.1
281.09265	1.7
281.12872	1.1
282.09964	1.3
283.10834	3.5
285.12427	1.5
287.10959	0.6
287.13809	2.3
289.09720	2.2
290.10251	0.4
291.11447	1.1
293.09332	1.5
293.12897	2.3
294.09961	2.2
294.13028	0.5
295.10846	2.1
296.11469	1.3
297.08737	0.6
297.12335	1.1
299.10239	1.4
299.13651	0.8
303.13586	0.6
306.09845	0.6
307.10846	1.0
309.08832	0.5
309.12381	1.5
311.10364	3.6
311.13718	0.7
312.11145	1.4
313.11932	1.3
314.12701	1.0
321.12314	0.5
323.10245	0.6
323.13950	1.0
324.11176	1.3
325.11847	1.7
326.12598	3.1
327.13474	4.8
335.10126	3.1
337.11905	0.7
339.13416	26.0
340.10516	1.2
340.14194	0.6
343.13037	0.5
353.11374	0.7
354.12085	2.2
355.12930	7.4
357.14734	0.9
367.12933	12.4
371.12308	1.3
371.16379	0.7
372.13263	0.6
386.14825	0.7
387.15646	1.0
399.15579	3.4
460.18607	0.8
461.35986	1.0
474.20392	0.5
479.20621	1.5
488.18259	1.0
492.21429	2.9
502.20303	0.5
520.20831	7.4
552.23438	100.0
553.23730	5.0
627.24316	1.3
709.39740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47089	0.8
69.50294	5.2
91.05473	1.1
93.07031	1.5
94.06583	2.3
95.07360	1.0
96.08129	3.8
98.21455	1.5
108.08106	3.7
110.09676	6.8
116.04974	0.7
120.04462	4.0
120.08083	5.2
122.06042	1.3
124.07604	2.1
132.75330	0.7
136.07594	3.5
138.09143	10.5
144.44633	0.6
146.06007	1.6
148.07584	1.5
150.09138	1.1
152.07097	0.8
164.07127	0.9
166.08641	10.0
168.10287	0.6
172.03941	2.3
190.05080	2.9
194.08247	1.2
204.06604	3.0
211.08725	1.1
212.09398	0.7
213.10199	0.8
218.44125	0.7
223.08653	0.8
223.12195	0.9
224.09290	0.9
225.10275	2.8
227.11891	0.8
235.08684	1.1
237.10315	4.1
238.10944	1.9
239.11714	3.3
241.09634	1.2
243.11292	1.2
248.09251	1.6
249.10297	3.3
250.11137	1.3
251.08255	2.1
251.11832	4.4
253.09732	3.3
254.10571	1.0
261.10251	2.4
263.11838	2.6
264.08807	0.8
265.09723	7.9
266.10559	1.9
267.11276	5.3
268.12088	0.7
269.09201	1.0
271.10834	1.9
273.12573	1.2
277.09875	1.8
278.10471	3.5
279.07727	3.0
279.11328	7.6
280.12064	1.5
281.09131	2.3
281.12860	2.1
282.10068	1.3
283.10822	5.9
285.12268	3.2
287.10248	0.8
287.13962	1.9
289.09726	5.0
291.11368	3.0
293.09271	1.7
293.12918	3.9
294.10138	5.0
295.10901	4.0
296.11707	1.8
297.12497	1.8
299.10321	2.2
299.14127	0.7
303.13474	2.8
306.09857	0.9
307.10648	1.7
308.11649	1.5
309.12390	2.8
311.10291	5.9
311.13965	2.2
312.11023	2.9
313.11902	2.0
314.12659	1.0
317.09247	1.2
321.12332	0.9
323.10458	2.1
323.14105	1.2
324.11069	1.4
325.11816	4.8
326.12650	3.5
327.13464	7.5
335.10284	8.6
336.10962	0.7
337.11826	1.1
339.13406	45.4
340.10526	1.5
340.14163	1.2
352.10532	1.3
353.11157	1.3
354.12088	4.9
355.12872	15.6
357.14566	1.5
358.15515	0.9
367.08298	1.5
367.12915	30.4
368.13351	0.8
386.14801	1.5
387.15561	1.5
415.15274	2.0
432.15491	1.6
451.21008	1.3
460.18652	1.6
462.16653	1.6
464.22195	1.1
474.16171	3.0
479.20660	3.2
488.18161	8.4
492.21301	4.7
506.19708	0.7
520.20837	100.0
521.20837	4.0
538.22064	0.8
552.23401	44.4
553.23810	2.0
627.24451	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	707.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	2.6
53.03954	15.3
55.01859	8.6
55.05516	33.5
57.03449	17.6
57.07063	5.3
61.02938	2.4
65.03912	4.5
67.05509	75.4
69.03430	21.7
69.07060	16.9
69.28069	9.5
69.28493	13.2
71.04982	6.6
71.67522	2.4
73.02927	2.9
74.60330	2.2
79.05056	3.6
79.05495	58.6
81.03423	100.0
81.07063	75.6
83.04987	47.2
83.08628	22.6
83.96072	2.4
85.02915	18.4
85.06540	2.8
91.05482	54.0
93.07055	52.9
95.04970	27.5
95.08050	3.4
95.08617	51.9
97.02892	17.4
97.06535	10.3
97.10170	7.8
98.20762	3.5
99.04449	6.8
99.08089	3.6
101.02335	2.9
105.04548	2.2
105.07037	41.2
107.04969	8.0
107.08604	35.2
109.02897	12.2
109.06516	9.3
109.10162	19.8
111.04453	20.5
111.08102	15.0
115.05450	2.3
117.07044	12.0
119.07793	2.6
119.08593	32.4
121.06514	4.9
121.10153	24.9
121.33992	2.5
123.04407	2.7
123.08109	3.2
123.11701	6.3
125.09602	4.7
127.03910	10.8
129.05534	14.6
129.07019	13.3
131.08566	22.6
133.04843	2.2
133.06491	5.5
133.10162	20.7
135.08067	5.3
135.11694	17.9
137.13200	2.3
141.07007	2.3
142.07784	3.3
143.08536	5.7
145.10129	16.1
147.08034	3.2
147.11710	21.7
149.09644	8.2
149.13252	7.9
151.03979	2.5
153.12727	9.7
156.87437	2.2
157.10109	15.6
159.11699	6.8
161.13272	4.7
162.45453	2.3
163.11174	9.6
163.14815	2.8
165.12656	4.3
169.10167	3.3
171.08073	2.8
171.11674	5.2
173.09593	4.8
173.13266	7.6
175.11195	12.1
181.10080	3.7
181.12238	9.7
183.11703	3.7
185.13295	3.0
187.11201	3.0
187.14819	2.4
189.12758	2.8
191.10689	6.7
193.12267	35.5
195.11714	2.9
199.14818	2.5
210.75114	2.3
211.13293	66.9
227.12782	14.1
229.14326	3.7
239.30081	2.4
259.20572	3.0
261.22165	11.1
267.15918	9.4
277.21503	3.8
283.15341	7.1
285.16956	20.2
285.21838	2.7
306.97824	2.1
317.24979	3.8
335.25818	42.6
337.27295	11.4
341.24753	2.7
351.23013	3.6
355.17529	5.8
365.13684	5.2
369.24490	5.5
387.25153	3.5
405.26205	4.6
411.19891	2.4
427.19348	2.9
429.20901	9.2
443.27682	2.7
461.28998	2.8
527.37390	13.0
545.38446	44.8
671.41266	5.0
689.42596	19.6
707.39874	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	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70217	3.0
53.03941	14.1
55.01865	7.5
55.05524	39.1
55.05767	5.7
57.03428	14.8
57.07063	6.9
61.02924	4.8
64.98164	3.2
65.03951	4.0
66.93187	3.1
67.05511	79.3
69.03441	21.1
69.07074	26.4
71.04993	7.2
71.10378	3.2
71.57907	5.6
73.01652	3.1
77.03944	3.1
79.05503	60.4
81.03426	100.0
81.07064	88.2
83.04982	47.6
83.08624	22.7
85.02917	22.6
85.06562	3.5
91.03952	3.6
91.04955	6.1
91.05486	58.7
93.07053	60.0
95.04986	34.8
95.08616	51.8
97.02891	28.2
97.06541	9.7
97.10174	9.1
99.08103	3.3
103.05489	4.6
105.07052	45.7
107.04948	7.9
107.08089	3.3
107.08624	35.8
109.02882	12.4
109.06532	6.2
109.10155	26.9
111.04455	20.4
111.08068	9.6
115.05442	4.0
116.06176	3.4
117.07009	11.1
119.08601	33.5
121.06495	5.5
121.10147	29.7
123.08049	4.8
123.11718	9.2
125.09621	6.1
127.03892	10.8
129.05475	12.7
129.07007	10.0
131.08604	26.0
133.06512	4.2
133.10132	20.3
135.08061	5.6
135.11685	16.3
137.09560	4.1
137.13231	3.4
139.15073	3.6
143.08586	8.6
145.10135	18.5
147.08113	4.0
147.11696	26.2
149.09651	5.5
149.13258	7.6
151.03922	4.1
153.12778	8.0
157.10127	14.9
159.11679	10.7
161.13309	5.5
163.11218	10.7
165.12767	5.7
171.11649	7.4
173.13324	6.8
175.11214	10.2
181.12292	6.2
187.11177	3.5
190.05795	3.4
191.10693	6.6
193.12274	39.1
209.11572	4.7
211.13289	63.3
213.05464	3.6
227.12804	13.3
229.14172	5.7
261.22208	13.6
263.23688	4.0
267.15845	11.2
283.15448	7.7
285.16922	16.4
297.07703	3.8
314.15698	3.7
317.24579	3.6
335.25839	36.9
337.27283	13.0
355.17651	3.8
365.13745	5.7
369.24008	4.0
375.18289	3.3
429.21158	8.8
435.33173	4.4
527.37170	13.6
545.38452	43.1
546.96716	4.1
582.01379	4.0
653.40326	4.0
671.41144	4.7
689.42322	22.0
707.39899	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	707.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13111	0.2
67.05496	0.8
69.26896	2.0
72.56141	0.2
79.05486	0.4
84.08154	0.3
85.02936	0.3
86.06118	0.3
89.03912	0.5
94.06595	1.2
95.04951	0.8
96.08132	0.5
106.06512	0.3
108.08118	0.7
110.06049	0.3
110.09666	0.4
113.62944	0.3
114.03644	0.2
116.04987	1.2
116.10811	0.2
120.08131	0.5
122.06037	4.5
124.07604	1.4
134.06000	0.4
135.06804	0.3
136.07571	1.8
138.09174	0.4
140.07082	1.1
144.04440	2.5
146.05998	0.3
148.07599	0.4
150.05511	3.7
152.07076	0.4
160.07603	1.0
161.07100	0.2
162.05518	0.9
164.07143	0.4
164.99504	0.2
166.08664	0.9
168.06586	1.1
172.03946	13.0
172.07581	0.4
173.08372	0.3
175.08627	0.3
182.08121	1.3
183.08981	0.4
184.07550	0.4
185.08363	0.5
186.09195	0.6
187.08597	0.4
188.07068	0.6
189.10239	0.4
190.04987	1.2
196.07646	0.4
196.09660	0.4
198.09209	0.5
199.10057	0.4
200.10794	0.4
201.10263	1.6
202.10968	0.5
203.11786	1.4
204.06581	18.1
205.06966	0.3
210.09224	0.5
211.08679	1.0
212.07132	0.3
213.06522	0.5
213.10205	1.8
214.08760	0.6
215.08162	1.4
215.11816	1.0
216.08952	0.4
216.12532	0.4
217.09732	1.3
217.13316	0.6
219.36636	0.2
227.08124	0.5
227.11763	0.5
228.10385	1.4
228.12292	0.3
229.09729	7.4
230.10500	6.2
231.11290	2.1
232.12007	0.6
237.10196	0.3
239.08115	1.1
239.11806	0.4
240.08968	0.5
241.09700	1.7
243.11275	3.3
244.11955	2.1
245.09222	0.5
245.12866	2.3
246.11165	0.4
247.10828	1.4
254.10545	0.8
255.08914	0.4
255.11311	1.1
256.09842	1.3
257.09302	1.6
257.12857	3.5
258.09988	3.8
259.07248	0.7
259.10779	3.8
260.11600	0.9
261.12244	0.3
267.11166	0.3
271.10797	3.2
272.08701	0.3
272.11569	4.2
273.12366	11.8
274.10645	1.0
274.13251	0.5
275.10229	2.1
283.10895	0.4
287.14001	0.6
288.12207	0.4
289.11832	8.5
290.12610	3.3
291.13406	0.3
297.12469	0.4
299.10327	1.5
300.11047	5.5
301.11850	3.7
303.13406	0.6
304.10751	0.3
305.14938	1.0
315.13394	5.3
316.11765	0.5
318.12085	3.8
319.12881	0.7
325.11844	1.6
332.13712	0.7
333.14459	100.0
334.14749	1.8
351.15533	12.8
352.15768	0.6
357.14471	1.6
366.37616	0.2
399.10770	1.0
448.18567	0.3
457.12360	0.3
492.18207	0.4
504.17651	1.0
550.21863	1.2
560.69989	0.3
601.67065	0.3
613.22473	0.5
657.25519	0.5
707.37689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13913	1.1
69.03436	1.8
69.07092	1.0
69.77914	5.9
73.02912	2.8
79.05470	1.4
85.02923	2.5
91.05479	2.0
93.07029	3.6
94.06568	3.8
95.07350	2.8
96.08131	5.5
97.02877	1.8
107.04964	1.4
108.08121	8.1
110.09685	11.3
113.70929	1.0
119.30082	1.0
120.04484	1.3
120.08097	8.6
122.06028	3.6
124.07571	1.3
136.07599	5.6
138.09143	13.0
139.07591	1.2
148.07558	3.8
150.09097	2.1
151.07556	2.2
163.51889	1.0
166.08652	13.1
167.07080	2.0
177.05515	1.2
179.07115	5.6
180.07350	1.9
182.05167	1.0
191.06976	1.7
192.07788	4.2
193.08078	1.5
209.10693	1.6
221.10594	1.9
223.12175	1.4
225.10239	1.3
228.80789	1.0
229.08672	2.0
235.08716	3.0
236.09421	4.2
237.10228	14.3
239.11765	2.6
248.09404	1.2
249.10242	20.2
250.11012	3.1
251.08321	1.5
251.11777	6.6
253.09721	3.9
261.10220	3.5
263.08167	2.1
263.11795	3.2
264.08966	6.7
265.09747	16.1
266.10471	2.7
267.11337	7.0
276.08847	1.4
277.09735	15.0
278.10486	8.7
279.11264	12.0
280.12015	4.2
281.09152	3.1
281.12634	1.7
283.10941	1.3
289.09805	1.4
291.07706	1.2
291.11258	3.3
292.08633	2.3
292.12094	2.7
293.09177	27.9
293.12775	6.2
294.09839	2.4
295.10849	4.2
297.08929	1.3
297.12137	1.3
305.09253	6.5
306.09906	2.5
307.10825	8.8
309.08734	2.9
309.12357	5.5
310.13181	1.5
311.10330	1.8
311.13678	1.5
312.11115	3.0
314.12854	1.7
316.43716	1.2
319.10803	3.2
321.12286	1.7
323.10349	4.9
325.11841	4.4
327.13574	6.0
333.08667	3.6
337.11716	6.4
338.12582	2.0
339.13409	13.5
341.11191	1.4
342.12381	1.5
342.15991	2.1
343.13055	1.9
351.09821	10.8
353.11353	2.8
353.15143	2.0
355.12958	2.2
356.13651	1.7
358.15396	2.5
359.16089	1.5
365.11285	6.7
366.11896	3.5
370.11679	2.7
370.15546	1.2
371.12354	1.8
382.11526	4.1
383.12207	5.0
384.13284	2.9
385.14072	6.7
385.18277	1.3
397.14032	15.3
398.14697	3.8
399.11111	1.6
399.15820	1.6
400.16699	2.4
411.14386	9.8
412.14774	9.7
413.15005	17.7
416.16010	1.8
418.17563	4.6
426.14389	3.5
428.16049	2.3
444.15399	1.3
446.16833	7.8
454.13910	4.8
460.18539	2.1
462.20288	1.9
472.15021	14.7
478.19861	5.9
490.19702	2.3
492.17429	6.5
504.17529	4.4
518.19116	7.4
520.51709	1.2
524.24060	8.7
536.20105	2.9
536.76086	1.2
550.21881	100.0
551.22571	46.0
552.22644	1.4
568.22870	31.0
625.23108	5.6
639.23981	4.3
657.25592	17.5
675.26581	5.3
707.28888	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	705.239
Annotation	Amorphigenin O-vicianoside
Peak:m/z	Relative Intensity
54.61481	0.7
55.01871	1.0
57.03437	1.6
58.39879	0.7
61.02927	1.2
69.03439	5.4
69.63766	3.7
69.89356	0.7
70.29588	0.7
71.01376	1.0
73.02930	3.9
73.97298	0.7
79.05495	3.2
81.03422	2.0
85.02916	10.9
87.04454	0.9
91.05476	1.5
95.04992	0.8
97.02901	3.9
107.04949	6.2
109.02798	0.9
109.06513	0.8
115.03976	1.4
115.05489	1.0
121.06525	1.5
124.05212	3.2
127.03945	1.5
131.08586	1.2
133.06497	1.1
135.04439	2.6
136.05249	0.8
139.07571	7.3
141.06970	1.2
145.04988	1.4
145.06509	1.5
148.05185	1.1
149.02350	1.8
151.07527	6.9
155.08540	1.0
159.04437	4.9
159.08014	0.9
161.05994	0.9
162.06720	1.9
163.03899	1.1
167.03404	1.1
167.07057	6.8
169.06494	1.8
170.07362	0.9
173.06015	3.3
177.05527	4.9
177.23521	0.7
178.06177	1.1
179.07060	17.4
183.08113	1.4
187.07559	6.9
189.05569	1.1
191.07037	12.1
192.07826	17.5
193.08488	3.9
198.06827	1.0
201.05475	7.0
201.09042	1.0
205.08667	2.2
211.07549	5.5
215.07028	1.2
219.06540	5.6
227.07076	1.1
229.08594	11.1
257.08087	2.0
365.14145	1.2
393.13553	1.4
403.78552	0.8
411.14401	100.0
412.14780	3.8
453.15167	1.9
543.18500	0.9
556.59686	0.8
580.17603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
57.03435	2.0
61.02916	1.3
69.03436	5.5
71.04982	0.8
71.16910	0.5
73.02586	0.4
73.02922	3.3
77.74451	0.3
81.03425	0.9
85.02908	8.5
85.03418	0.4
87.04462	0.9
97.02905	3.2
98.13944	0.3
99.04457	1.0
101.02387	0.4
109.02877	1.0
115.03908	0.6
125.05997	0.5
127.03931	2.1
137.05936	0.4
145.04936	0.7
147.04405	0.4
149.05962	0.4
157.06511	0.5
177.05418	0.5
181.04953	0.5
184.05196	0.8
187.03911	1.3
191.07062	1.7
205.04962	0.9
211.07477	0.4
224.04851	0.3
259.07196	0.4
259.11984	0.6
263.07126	0.7
267.06207	0.4
275.07190	0.8
279.06589	1.3
279.56128	0.3
281.04407	0.4
288.07892	0.8
289.08542	1.4
291.06555	1.2
291.09985	0.4
293.04507	0.5
300.07889	0.4
301.08609	0.7
303.06516	3.6
303.10156	0.9
304.07248	0.6
305.04727	0.5
305.08142	0.9
306.08914	1.4
308.06723	0.4
309.07483	3.0
315.06607	0.6
315.10101	0.8
316.07269	1.8
317.08224	2.1
318.08850	1.0
319.06290	0.5
319.09586	1.9
320.06894	0.4
321.07639	0.4
321.11282	0.9
323.09100	0.5
324.36710	0.4
331.06064	0.8
331.09454	2.0
332.06738	0.9
332.10287	0.5
333.07501	1.6
333.11069	0.7
334.08356	3.1
335.09183	1.3
339.08661	0.4
345.07526	2.1
346.08334	2.6
347.09174	5.6
348.09741	0.5
349.10703	13.7
351.08542	0.8
359.09225	1.1
360.09872	0.7
361.06949	1.6
361.11035	0.6
363.08496	4.0
363.12189	0.5
373.10809	0.9
374.11447	0.6
376.09424	1.3
377.10199	12.7
378.10980	12.4
379.07846	1.7
379.12164	0.6
381.13400	1.2
391.11804	9.7
393.09512	0.6
394.10483	2.7
407.11462	0.7
409.12833	100.0
410.13068	2.7
451.13812	1.0
571.18134	30.2
572.18658	1.1
702.49994	1.7
703.25726	0.6
703.50415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01852	0.6
57.03440	2.0
61.02917	1.8
67.05499	0.8
69.03433	5.5
69.59041	2.7
71.01358	0.7
71.04990	0.7
73.02920	3.7
79.05491	0.8
81.03406	2.4
81.07050	1.5
82.60767	0.4
85.02423	0.7
85.02910	10.3
87.04474	0.8
91.05481	1.2
93.07027	1.2
95.04987	0.7
95.08652	1.1
97.02886	3.4
99.04455	0.9
101.02309	0.5
105.07038	1.4
107.08604	1.0
109.02866	1.7
109.10195	1.0
113.14470	0.5
115.03904	0.6
119.04928	0.4
119.08597	0.9
121.10143	0.7
123.04442	0.6
127.03883	2.3
129.07042	0.5
131.08585	0.6
133.10143	0.8
135.08061	0.6
135.11708	0.5
137.05922	0.6
137.09605	0.4
145.04980	1.1
145.10121	0.6
147.04437	1.2
147.11707	0.8
149.05992	0.6
153.05516	0.5
157.10172	0.8
159.11658	0.6
161.09627	0.6
177.05516	1.0
178.05803	0.4
181.04951	0.5
184.05225	0.6
185.06070	0.4
187.03979	0.8
191.07043	1.7
197.05774	0.5
203.17902	0.5
205.04999	0.6
276.04153	0.7
278.33606	0.5
279.06577	1.5
287.05701	0.5
288.07773	0.6
289.08609	1.2
291.06589	1.5
295.09631	0.4
299.09186	0.6
301.08658	0.8
301.11966	0.6
303.06580	4.1
303.09988	0.9
305.08157	1.3
306.08844	0.9
309.07556	3.5
315.10068	0.6
316.07239	1.7
317.08090	2.4
318.08694	0.6
319.09695	1.2
320.06885	0.5
320.10410	0.5
321.11179	1.6
323.09033	0.5
331.06036	0.9
331.09634	1.5
332.06839	1.3
333.07678	1.2
333.11240	0.8
334.08365	2.4
335.09012	1.2
339.08539	0.6
345.07590	1.9
346.08368	3.1
347.09125	5.8
348.09570	0.6
349.10721	14.0
351.08768	1.2
355.49374	0.4
360.09769	1.0
361.07016	1.7
362.11386	0.7
363.08646	2.8
363.12460	0.9
365.10248	0.5
373.10703	0.9
376.09378	1.3
377.10251	12.6
378.11044	10.2
379.07837	2.1
381.13269	1.0
391.11783	9.3
393.13492	0.8
394.10321	2.4
407.11349	0.5
408.12106	0.6
409.12836	100.0
410.13089	2.2
451.13553	0.5
455.09692	1.5
553.17535	0.6
571.18146	29.1
572.18243	1.0
703.23834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.7
55.01833	0.5
57.03438	2.1
59.04988	0.3
61.02880	1.6
69.03434	3.8
69.25909	2.5
71.01320	0.4
73.02923	4.6
74.18707	0.3
81.03362	1.4
81.23877	0.2
83.01231	0.3
85.02917	8.2
87.04412	1.0
91.05468	0.4
97.02901	2.9
99.04413	0.4
101.02349	0.4
109.02847	0.8
115.00430	0.3
115.03899	0.5
125.05906	0.3
127.03944	2.1
145.04929	0.7
147.04413	0.6
157.06531	0.4
161.05954	0.3
175.03918	0.4
177.05536	0.4
181.04939	0.7
184.05214	0.5
185.05972	0.6
187.03879	0.9
191.06993	1.7
205.04944	0.5
211.07518	0.6
233.09525	0.3
252.64320	0.3
257.08081	0.5
259.07565	0.5
260.08173	0.4
261.09073	0.4
263.06912	0.4
264.04123	0.7
264.07971	0.4
265.04807	0.4
266.05814	0.5
267.06577	0.3
272.08157	0.5
274.06387	0.3
275.07043	0.5
277.05249	0.4
277.08545	0.5
279.06433	0.9
280.07101	0.3
281.04590	0.4
281.08038	0.6
287.07037	0.6
288.07794	0.8
289.08551	1.0
291.06476	1.2
295.06183	0.3
295.09488	0.5
301.08563	0.6
303.06512	3.6
303.10144	0.8
304.07373	0.8
304.10919	0.4
305.04678	0.5
305.08038	1.0
306.08896	1.1
307.09726	0.4
308.06686	0.3
309.07568	2.4
310.08167	0.3
311.09262	1.0
315.06607	0.8
316.07269	1.6
317.08185	2.1
318.08896	1.0
319.06165	0.6
319.09668	1.7
321.07672	0.6
321.11298	1.4
323.09265	0.8
329.08075	0.5
331.05927	0.9
331.09692	2.0
332.06686	1.5
332.10315	0.6
333.07629	1.2
333.11261	1.0
334.08325	2.7
335.09103	1.3
335.12817	0.5
345.07651	1.5
345.11478	0.4
346.08374	2.5
347.09058	4.2
347.13022	0.4
348.09915	0.6
349.10742	12.4
350.11105	0.6
351.08630	1.0
353.14087	0.8
359.09061	1.1
360.09589	0.4
361.07123	1.7
361.10843	0.5
363.08569	3.0
363.12442	1.5
373.10818	0.8
375.08600	0.5
376.09433	1.3
377.10242	10.5
378.10965	10.3
379.08109	1.0
379.12082	0.6
381.13315	3.0
391.11841	7.3
392.12158	0.5
394.10449	2.6
409.12848	100.0
410.13251	2.7
412.52472	0.4
437.12317	0.4
451.14236	0.5
541.23376	0.3
543.18073	0.4
553.17700	0.3
571.18158	19.1
572.18396	1.1
672.07269	0.3
675.22913	0.9
684.48346	0.7
702.49719	57.3
703.29956	0.6
703.49951	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19656	0.3
67.05530	0.3
81.07057	0.5
91.05501	0.6
93.07050	0.3
95.08636	0.3
98.20705	0.8
105.07067	0.3
129.65675	0.3
140.36746	0.3
147.08087	0.3
173.03073	0.4
185.04303	0.8
203.05275	1.3
203.07114	1.6
227.03137	0.6
254.36803	0.3
259.07922	1.1
261.46472	0.3
321.22742	0.8
347.09656	1.3
365.10526	3.2
421.13162	1.0
449.63968	0.3
539.31946	17.5
540.32806	0.4
553.48651	0.4
701.37213	100.0
702.37738	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	697.161
Annotation	Quercetin 3-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03947	1.3
55.01877	1.2
57.03451	0.9
57.03685	0.2
58.81828	0.2
61.02911	0.7
65.03931	0.2
68.99800	1.2
69.03082	0.3
69.03436	4.8
70.06575	0.2
71.05007	1.1
71.57391	0.2
72.08151	0.3
73.02914	1.2
81.03421	5.4
82.06606	0.2
83.52532	0.2
84.08186	0.2
85.02910	8.5
87.00841	3.8
87.04456	0.2
91.03937	0.3
95.04963	0.2
97.02903	3.3
99.04448	2.2
105.01890	2.0
109.02889	4.9
109.15804	0.2
111.00790	0.7
117.01865	0.7
121.02863	0.7
122.31909	0.2
127.03929	6.8
129.01823	0.4
129.05534	0.2
137.02333	2.4
140.10918	0.2
145.04970	2.4
145.06070	0.3
147.02908	0.5
149.02263	0.3
153.01833	2.8
159.02890	2.6
163.03879	0.5
165.01843	1.9
177.05556	0.3
180.06461	0.2
183.02930	0.7
187.03897	0.2
195.02794	0.2
201.05496	1.4
219.06470	0.2
229.04982	3.5
231.05089	1.1
247.06042	0.6
257.04465	2.5
259.10797	0.4
274.04755	0.7
285.04086	1.1
285.06903	0.2
287.05521	0.3
295.06042	0.2
301.11737	0.3
303.05005	100.0
304.05341	1.6
307.05923	0.2
319.12839	0.3
331.12756	0.3
345.06052	0.7
363.15326	0.2
449.10818	6.9
450.11429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49815	0.3
53.03943	0.5
53.70313	0.3
55.05525	0.9
57.03435	1.0
59.04974	0.4
61.99100	0.4
64.71857	0.4
67.05502	2.3
69.07091	0.7
69.07458	0.4
69.33192	3.2
71.05012	0.8
79.05493	3.0
81.07069	3.1
91.05484	3.7
93.07043	3.0
95.04992	0.8
95.08614	1.6
98.21499	0.8
105.07019	2.9
107.08630	1.3
109.10178	0.8
117.07018	0.8
119.08581	2.0
121.10147	0.6
123.08095	0.4
129.07047	0.4
131.08592	1.3
133.10155	0.9
136.95676	0.4
143.08601	0.4
145.10136	1.1
147.11719	0.9
159.11618	0.4
171.11798	0.5
247.13065	0.9
303.15652	1.0
315.19278	0.7
333.20392	10.9
333.24188	0.7
389.23001	7.2
611.39911	0.5
613.36963	3.0
699.44440	100.0
700.45178	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	700.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05513	6.5
57.03450	3.7
57.07081	40.8
59.05903	0.6
61.02634	1.0
61.02932	16.1
61.40656	0.6
65.03851	0.6
67.05170	0.8
67.05511	11.9
69.03419	2.6
69.07074	8.6
71.08640	34.2
71.17040	0.7
73.02922	5.4
73.39264	0.5
75.04475	2.3
79.05490	0.7
81.07063	18.1
83.08627	9.1
85.02422	1.2
85.02909	18.7
85.06538	1.0
85.09718	1.3
85.10190	18.2
89.06006	1.5
91.03966	14.7
91.05453	1.1
95.08613	24.2
97.02363	0.8
97.02911	9.2
97.10177	10.7
98.21514	1.3
99.04463	0.9
99.11742	1.8
103.07587	0.9
105.07029	1.3
109.10168	11.1
111.11727	5.3
113.13310	0.7
114.73608	0.6
121.10126	1.0
123.11732	6.6
125.13274	1.0
127.03940	4.9
135.11678	0.9
136.06187	1.0
137.13309	3.1
145.04959	7.3
149.13307	0.8
151.14780	0.9
163.06024	12.7
199.05266	0.7
203.07062	1.5
213.25575	0.7
249.25850	2.1
267.10165	0.8
267.26855	25.1
285.23056	0.7
285.27945	4.3
327.57880	0.8
339.58762	0.7
341.30539	100.0
342.30966	1.9
359.31586	27.9
494.79190	0.6
503.35770	0.8
506.89697	0.7
700.44214	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	696.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.05516	19.9
57.03451	10.0
57.07082	13.6
61.02652	1.9
61.02931	26.8
65.03948	1.8
67.05511	79.4
69.03438	2.6
69.06716	2.3
69.07071	26.9
69.87892	1.8
71.04989	2.3
71.08620	7.5
73.02908	8.9
73.64545	1.8
76.16093	1.6
79.05493	25.5
81.07064	100.0
83.05003	2.6
83.08628	24.0
85.02911	36.0
85.06530	4.0
85.10147	2.1
91.03957	24.9
91.05489	14.2
93.07058	23.7
95.08616	85.3
97.02920	12.0
97.06520	6.9
97.10182	18.6
99.04434	2.9
99.08102	2.8
100.43190	2.0
105.07053	15.0
107.08596	17.1
109.10162	46.8
111.08073	3.9
111.11742	4.6
113.09653	5.0
119.08592	15.0
121.09315	2.1
121.10161	26.2
123.08039	1.8
123.11703	25.1
125.09623	3.1
127.03901	6.3
133.10149	21.6
135.11719	14.4
137.09616	3.9
137.13269	9.2
141.12733	3.2
145.04932	12.9
147.11710	13.1
149.13266	11.9
151.03899	4.2
151.14813	7.1
155.14320	3.5
161.13251	16.2
163.06039	19.0
163.14845	11.2
165.12766	2.0
165.16400	11.6
174.28862	2.1
175.14894	12.1
177.16466	2.9
179.17952	8.0
189.16367	5.0
203.18144	1.7
214.22478	2.1
233.59088	2.5
245.22675	64.8
263.23724	97.7
331.19269	1.9
337.27393	74.0
355.28479	11.2
499.32742	5.5
592.76019	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	696.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15041	1.4
55.05513	16.3
57.03427	5.6
57.07077	8.5
61.02931	23.2
63.86039	1.5
67.02760	1.8
67.05507	62.4
69.03430	5.1
69.07069	22.7
70.67452	5.2
71.04987	2.4
71.08638	7.1
73.02915	9.2
79.05501	21.8
81.03408	2.4
81.07059	81.0
83.08620	18.1
85.02911	33.9
85.06557	4.1
85.10188	3.2
91.03959	25.4
91.05493	13.8
93.07050	23.5
95.04977	2.8
95.08614	73.0
97.02884	14.4
97.06544	7.0
97.10189	10.3
99.08095	2.4
105.07061	10.2
107.08603	17.0
109.10163	38.0
111.08103	4.7
111.11726	2.4
113.09600	2.7
119.08605	12.7
121.10154	22.5
123.08093	2.1
123.11717	20.9
125.13276	1.8
127.03934	9.5
127.11179	2.6
133.10124	16.4
135.11705	10.4
136.53848	1.6
137.13268	6.8
141.12730	3.3
145.04955	11.3
146.45528	1.7
147.11726	12.2
149.13297	8.7
151.14832	6.1
155.14256	2.2
161.13268	15.0
163.06013	23.1
163.14793	9.1
165.16380	8.8
167.72791	1.8
175.14821	10.9
179.17964	6.4
189.16373	5.7
203.07062	2.3
203.18056	2.9
245.22661	73.2
263.23718	100.0
264.24097	1.9
281.24991	2.3
337.27386	43.8
355.28391	11.1
518.75873	1.9
534.44067	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	695.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13461	0.3
53.61231	0.3
56.96295	0.5
56.96568	10.4
62.47331	0.3
71.36050	0.8
71.95252	1.1
72.96056	0.8
74.97616	0.4
78.62642	0.3
79.05482	1.3
81.07060	2.9
84.96024	0.5
91.05460	0.3
93.07026	0.4
95.04931	0.4
95.08608	0.4
95.53992	0.3
97.96822	0.5
98.97588	1.2
105.00127	0.3
107.08631	0.3
110.97560	2.0
115.00686	0.3
123.01266	0.4
124.99144	0.3
128.98634	1.7
129.02274	0.4
133.10127	0.3
137.02695	0.7
141.02263	0.5
142.49219	0.3
143.00165	0.3
145.01726	0.3
146.99641	0.9
153.02222	0.8
155.03813	0.6
157.01802	0.3
159.03265	0.4
161.01158	0.4
163.67392	0.3
165.02122	0.3
168.62726	0.3
169.05365	0.4
171.03265	0.9
173.04900	0.6
177.05568	0.3
180.12901	0.3
181.05319	0.5
183.03236	0.6
184.04024	0.4
185.04839	1.5
187.02763	0.4
189.04361	0.4
195.06995	0.9
199.06464	2.9
201.08080	0.4
203.05920	1.7
205.07492	1.1
207.06924	0.6
209.04816	0.4
209.08653	0.4
211.06404	1.1
213.04659	0.3
213.07993	8.4
217.07423	2.9
221.08456	0.5
223.02861	0.5
223.08363	0.5
225.08006	3.2
227.05940	0.5
229.07477	5.8
231.09065	5.9
233.08453	0.7
237.04306	0.7
237.07964	2.0
239.09589	2.7
241.07523	0.4
241.11145	4.7
242.08374	0.8
243.09042	3.0
247.08502	2.9
251.09544	5.7
253.11154	1.3
255.06342	0.5
255.09042	7.1
257.10648	1.7
258.07797	0.4
259.12180	3.3
260.09326	0.4
261.10162	0.7
267.09064	0.6
269.10617	27.8
270.10907	0.7
273.10092	3.1
278.10754	0.4
279.09036	2.3
280.09778	1.7
285.07245	0.3
287.11673	8.4
292.12247	1.4
297.10083	3.1
298.10837	0.9
307.15677	0.4
313.14716	0.9
315.11133	0.7
316.12134	0.5
331.15790	10.1
349.16864	14.6
367.17932	100.0
368.18259	2.6
372.18347	0.6
385.19003	11.6
408.20566	4.8
410.41144	0.3
695.40759	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74120	0.5
55.05508	0.6
56.84146	0.4
59.05001	0.6
62.52304	0.5
65.03931	0.8
67.05493	1.6
69.03400	0.8
70.24090	0.8
70.24442	1.9
79.05481	0.9
81.07046	1.1
82.06582	0.7
83.04980	2.8
85.02898	3.2
87.56739	0.5
88.62796	0.4
91.05489	1.0
92.05014	0.7
93.05782	1.1
93.07036	2.0
94.06567	2.6
94.81817	0.5
95.04967	1.2
95.07344	1.4
95.08601	1.0
96.04491	0.5
96.08138	3.6
97.06503	0.5
97.24775	0.5
98.21442	0.6
102.05532	1.8
106.06561	13.4
107.07341	1.8
108.04484	0.9
108.08127	4.9
110.06049	0.5
110.09688	5.8
111.04427	1.0
120.04472	4.2
120.08109	5.7
121.06495	0.8
121.10132	0.8
122.06049	4.2
124.07604	2.0
125.05924	0.5
127.03857	0.5
128.10693	0.5
134.05998	0.5
136.07588	6.2
137.05998	0.6
138.05495	2.6
138.09142	8.6
140.07060	1.5
141.93225	0.4
144.04442	0.6
146.06012	1.0
147.04436	0.7
148.03987	0.9
148.07579	24.5
150.05508	2.6
150.09093	1.2
152.07047	1.4
153.05466	0.8
162.05539	3.2
164.03448	0.7
164.07076	1.5
166.08640	100.0
167.07040	0.5
167.09029	1.2
171.06519	1.4
172.03943	2.5
174.05452	0.8
177.05537	1.0
178.03415	0.8
178.04993	15.6
180.10110	0.5
182.08191	0.8
182.09695	0.6
188.03439	9.4
189.07613	0.8
190.05052	0.6
192.06621	2.6
194.08113	0.7
196.06081	1.8
198.11526	0.7
204.06651	1.4
205.06873	0.6
206.04456	1.1
210.07578	2.5
211.08748	0.5
212.09447	0.8
213.10188	1.3
220.06932	0.5
223.62262	0.5
225.10271	2.6
226.10898	0.9
227.11800	5.6
237.10251	1.9
238.10861	0.5
239.08157	3.6
239.11847	1.4
241.09660	2.1
241.13463	0.9
245.12846	1.7
247.11839	0.6
249.10201	0.8
251.08185	1.8
251.11891	1.1
253.09734	5.0
254.10373	0.8
255.06566	0.7
255.11304	2.5
263.11697	0.9
265.09714	8.0
266.10397	1.5
267.11322	2.9
269.09650	1.0
269.12869	6.1
271.10803	1.5
271.14240	0.7
273.12399	3.2
279.11298	1.2
281.09238	1.5
281.12668	0.7
282.10147	0.6
283.10721	1.3
285.07629	0.9
285.12296	4.4
287.05478	5.0
287.13898	15.1
289.15549	0.6
291.11276	0.6
293.09207	7.1
294.09833	0.5
295.10797	2.6
297.12308	2.0
299.10284	2.5
301.06912	1.0
303.13266	0.6
305.14948	4.9
307.10739	1.6
309.12357	1.2
310.10437	1.2
311.10379	2.8
313.11899	6.6
315.13388	4.2
317.11230	0.8
323.10178	1.0
323.15942	1.8
325.11948	2.4
329.14883	1.4
330.12231	0.7
331.12897	7.1
333.14374	0.7
341.11398	3.5
343.13019	0.6
346.15564	0.8
347.15912	2.4
349.13962	3.8
353.11237	1.0
357.14551	0.8
358.15564	1.0
359.12463	1.2
372.13211	0.8
373.13879	2.0
376.16638	1.0
386.14795	1.1
394.13968	0.6
402.18222	0.7
404.16217	3.4
405.06009	1.5
406.17560	1.3
412.14502	0.9
418.17651	1.9
436.18420	0.6
446.16971	2.8
448.18518	1.5
460.18954	0.6
462.20169	1.6
463.18616	1.5
464.18124	5.3
465.18661	1.3
466.19730	0.7
478.19769	2.4
480.21747	5.6
488.18286	1.3
490.19958	0.7
492.17859	0.6
498.18503	1.5
506.12225	0.8
506.19302	11.4
520.20941	1.1
524.20251	1.2
530.21259	0.8
538.21832	9.9
585.23279	1.6
601.26361	0.8
603.24652	1.2
627.24060	1.8
641.25165	0.6
645.25903	2.9
659.26355	0.6
663.26581	2.8
718.48853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
57.03409	0.3
67.05480	0.4
69.07031	0.7
69.18388	3.2
77.42184	0.3
81.07035	0.5
81.71230	0.3
85.02865	0.5
91.05475	0.5
93.07052	0.4
94.06533	0.9
95.04930	0.6
96.08098	1.3
97.02879	0.3
97.06535	0.3
97.25794	0.3
103.42742	0.3
105.07037	0.4
108.04495	3.9
108.08080	0.9
110.09673	1.1
110.20499	0.3
120.04483	0.5
120.08086	1.1
122.05992	1.4
124.07513	0.4
131.04848	0.3
136.07585	2.3
137.02284	0.5
138.05453	1.5
138.09114	1.5
138.74037	0.3
140.07103	1.6
146.06029	2.0
147.04388	0.4
148.03955	0.5
148.07536	1.1
150.05421	0.6
162.05511	0.6
164.07030	1.2
166.04918	0.8
166.08592	2.5
167.07001	0.3
168.06569	4.9
172.03899	2.9
174.05466	1.1
190.05017	0.9
194.09630	0.4
195.08969	0.4
197.10693	0.4
198.07805	0.5
199.08713	2.0
204.06602	4.9
206.08141	1.4
209.08192	0.4
210.07773	0.3
211.08704	5.3
211.12288	1.0
212.09348	2.0
213.10242	3.4
214.11017	0.5
221.10648	1.0
222.09230	2.0
223.08643	1.1
223.12354	0.6
224.10649	1.6
225.05452	0.5
225.10222	6.2
226.07336	0.5
226.10921	0.9
227.08177	2.2
227.11809	1.0
237.10280	0.9
238.10957	0.4
239.08034	0.9
239.11803	9.8
240.08784	1.0
240.12456	0.6
241.09711	3.1
241.13300	0.7
242.10442	1.7
243.11380	0.4
249.10245	1.4
250.08647	1.5
251.08269	1.7
251.11774	1.0
252.09056	1.8
253.05199	0.3
253.09749	7.0
254.10474	0.9
255.11322	1.0
257.12872	0.5
265.09702	0.9
266.10770	0.4
267.08160	0.5
267.11276	13.3
268.11993	0.7
269.12906	2.2
270.05191	1.9
271.11047	0.4
278.08142	0.4
279.11261	0.8
281.09113	0.9
282.09924	0.4
283.10770	1.3
285.07556	9.3
285.12167	1.8
287.05527	0.8
287.13959	0.7
293.09058	0.6
295.10782	7.8
295.14130	0.5
297.12408	1.8
301.11841	0.7
303.13452	0.7
305.14920	1.5
313.11829	41.9
314.12320	1.1
315.13376	0.7
323.10339	1.8
325.11905	1.0
333.14514	0.6
341.11340	19.6
342.12079	2.5
343.13141	0.4
353.11368	0.5
355.12854	2.1
357.14499	1.3
359.12570	2.2
373.13965	100.0
374.14371	2.2
375.15375	0.4
385.14044	0.5
427.17450	0.3
499.90012	0.4
506.19250	2.7
518.83813	0.3
520.21173	0.5
522.22546	0.5
524.20441	0.6
538.21954	1.9
601.26508	0.6
627.24695	1.0
645.25385	1.1
659.26367	0.8
663.26532	0.9
695.30280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96344	1.5
53.66329	1.4
64.91276	1.4
65.03973	1.6
67.05495	4.1
69.07066	1.7
70.06579	1.6
70.19447	6.9
79.05497	5.6
80.05015	1.8
81.07040	1.5
82.06575	3.1
84.00537	1.4
85.02880	2.4
87.71036	1.5
91.05488	2.9
92.26566	1.6
93.07038	7.6
94.06573	15.7
95.04957	2.5
95.07339	5.3
96.04475	3.2
96.08138	15.5
97.02834	1.7
97.06558	2.0
103.05455	2.0
106.06564	2.6
108.08118	15.2
109.08933	1.5
110.05999	3.0
110.09000	2.3
110.09691	28.9
112.07621	1.9
116.04992	4.4
118.06597	1.7
120.04449	5.9
120.08115	34.2
120.08932	2.8
121.08920	1.6
122.06046	17.8
122.63158	1.6
123.06760	1.4
124.07588	12.6
134.06023	4.9
136.07588	32.8
136.08647	1.9
137.05914	1.3
138.05530	5.0
138.09149	47.4
138.10208	2.9
140.07088	11.8
144.04443	14.7
146.05975	8.2
148.04039	2.5
148.07576	7.9
150.05489	3.7
152.07034	3.9
158.05997	1.6
158.08109	7.8
160.03896	6.7
162.05499	6.3
164.07074	32.2
166.04987	4.2
166.08650	66.1
172.03938	67.0
174.05550	3.3
174.09155	2.3
177.05603	1.7
178.05113	1.8
182.08122	19.6
182.09561	1.9
186.09283	1.8
188.10843	1.6
190.04999	25.8
191.09573	1.3
197.10786	2.1
204.06566	82.0
205.06889	1.9
212.09357	1.9
213.10237	2.7
215.08598	1.4
223.08817	1.5
224.09358	1.6
225.10297	6.1
226.08771	1.7
227.11945	2.7
235.08533	1.8
236.09302	3.2
237.10150	10.8
238.11020	2.4
239.08034	2.0
239.11838	4.4
241.09735	3.6
243.11385	8.8
247.14404	1.9
251.08273	4.0
251.11630	6.7
252.08994	2.7
253.09697	5.4
255.11311	4.3
259.10657	7.5
260.11154	3.8
261.11353	1.6
264.09030	1.6
265.09747	16.4
267.11377	3.9
269.12820	1.6
271.10657	3.1
273.12338	8.6
278.06610	3.9
279.11307	12.3
280.08609	2.2
280.12036	1.5
281.09363	1.9
283.10809	7.0
284.11600	1.7
285.07629	1.7
285.12387	10.9
286.01996	1.8
287.05490	4.8
293.09119	17.7
294.09894	3.0
295.10690	3.5
297.12347	12.0
299.10513	2.9
299.13922	4.2
301.11865	6.3
302.12369	3.1
303.13412	15.9
307.10773	5.3
309.12396	3.8
311.10245	3.9
312.10977	3.0
313.11929	8.0
319.12866	7.1
320.13138	5.0
321.14044	6.9
323.10187	3.9
325.11847	41.9
333.14597	6.9
335.10303	8.5
340.10504	2.0
341.11353	18.6
343.12921	4.9
353.11264	11.6
357.14359	18.8
359.12442	2.0
373.13983	11.0
385.14063	5.1
414.14374	2.4
415.15250	2.9
418.17767	2.2
437.19394	2.1
448.18845	1.8
460.18912	2.0
465.19031	6.3
474.16547	4.0
478.20084	7.0
488.17896	5.8
494.18991	1.8
506.19266	100.0
507.19647	2.9
510.22498	1.7
512.20544	2.3
520.20557	2.7
538.21832	28.4
581.23981	2.5
609.23212	4.5
613.26862	2.2
627.24457	18.1
631.27417	4.5
641.25702	4.8
645.24957	2.1
649.28558	4.5
654.94379	1.6
659.26715	6.2
677.27698	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	695.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83255	1.7
51.69394	1.7
61.34711	2.0
67.05491	3.0
69.26057	20.1
91.05492	3.7
93.07028	4.6
93.90386	1.9
94.06583	10.6
95.07363	4.9
96.04483	1.8
96.08136	18.5
97.06514	1.9
108.08134	14.5
110.09679	27.0
112.07618	3.6
116.04969	3.2
120.04478	4.0
120.08115	16.7
122.06047	8.3
124.07623	6.0
136.07584	6.9
138.05490	3.5
138.09148	34.2
140.07066	8.5
144.04453	5.6
146.06065	3.3
148.07585	6.2
150.05490	2.2
152.07118	2.2
158.08154	3.3
162.05521	3.2
166.05017	4.0
166.08652	62.3
169.89670	2.0
172.03940	35.5
190.04959	14.1
204.06601	18.7
224.09435	3.4
225.10240	5.1
237.10229	13.9
239.11917	3.2
251.11861	6.7
253.09764	4.9
255.11331	4.8
259.10812	11.6
260.11130	8.1
261.11230	4.6
265.09772	17.0
267.11346	5.0
273.12415	7.1
278.06680	4.8
279.11319	9.0
280.08575	2.4
281.13077	4.0
283.10800	7.1
287.05478	10.6
292.07971	2.9
293.09186	18.5
294.09863	3.9
297.12418	6.2
299.10364	4.5
300.11145	3.4
300.51682	2.1
301.11819	8.0
302.11948	4.4
303.12418	5.6
307.10776	4.8
309.12451	3.4
313.11893	6.6
319.12891	9.6
320.13171	12.3
321.13434	7.1
325.11816	22.3
335.10294	8.3
337.14273	2.0
338.14160	2.5
339.14096	2.2
340.10275	2.1
341.11261	13.5
353.11368	11.0
357.14343	5.1
366.42307	2.2
373.13962	8.8
385.13922	5.0
429.18332	2.3
456.25708	2.0
465.18851	7.8
478.19672	5.8
488.18051	4.5
506.19269	100.0
507.19714	4.0
510.22336	2.1
520.20599	4.9
538.22034	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.4
54.46382	0.3
55.01859	0.4
55.05512	0.4
65.03951	1.6
67.05515	2.2
69.03394	0.3
69.07076	0.4
69.53566	2.0
79.05504	1.6
81.03439	0.7
81.07064	1.5
83.04969	0.4
89.79294	0.3
91.05485	2.7
93.07047	1.2
95.04978	8.6
95.08620	0.7
99.04462	0.4
103.05487	0.6
105.07044	0.9
107.04969	0.6
107.08610	0.5
108.02103	1.1
108.05796	0.4
109.02897	0.7
109.06538	1.2
111.04437	0.3
115.05451	0.7
117.06995	0.8
119.04936	0.3
119.08579	0.7
121.02924	0.6
121.06520	9.0
123.04453	1.2
125.06030	0.5
128.06252	0.4
129.07008	0.5
131.04961	0.7
131.08591	0.5
133.02925	0.3
133.06523	2.0
135.04436	1.7
135.08080	0.5
135.11679	0.3
136.05186	1.5
137.05983	0.7
139.07585	0.8
141.05476	0.4
145.06497	1.0
145.10057	0.3
147.04390	1.9
147.08067	1.0
148.05144	1.4
149.02397	1.0
149.06010	2.7
151.03918	100.0
151.07526	11.3
152.04266	0.9
153.05472	0.3
153.07077	0.3
155.08571	1.1
157.06445	0.3
159.08063	0.6
160.05200	0.3
161.02353	1.9
161.05998	6.4
163.03909	1.2
163.07576	1.2
164.04732	2.1
165.07076	0.3
167.03381	0.4
167.07098	2.7
169.05022	0.8
171.08084	0.4
173.05978	0.8
173.09612	0.5
175.03957	0.9
175.07565	0.9
176.04709	1.0
177.05476	4.9
177.09209	0.3
178.06372	0.3
179.07051	6.2
179.08540	0.5
181.04907	0.3
181.06436	0.4
181.08588	0.4
182.07259	0.4
183.08057	0.8
185.06041	1.5
185.09569	0.6
187.03957	1.1
187.07613	0.5
189.05527	0.6
189.09108	1.5
191.07043	19.4
192.07828	31.6
193.08232	0.3
195.08096	0.6
198.06801	0.6
199.07590	0.8
201.05611	0.3
201.09123	2.9
203.07045	20.6
204.07436	0.5
205.04922	0.5
207.06535	4.8
208.08813	0.5
209.08070	3.0
210.06761	0.4
211.07568	1.7
212.08145	0.3
213.09120	2.3
215.10706	0.5
218.07210	0.3
223.07675	0.3
223.11150	0.5
224.08322	0.5
225.09247	0.5
227.07018	1.0
228.86267	0.3
229.08600	4.2
234.10483	0.4
235.07593	0.4
237.09251	0.5
239.07126	0.5
239.10667	1.5
241.08650	1.0
243.10187	8.7
243.12544	0.6
247.07683	0.3
250.09851	0.3
251.10707	0.8
253.08513	0.3
257.08115	0.7
261.09198	1.0
263.06830	0.3
263.10782	0.4
265.08722	0.3
265.12302	0.8
267.10162	1.1
269.08127	0.8
270.08774	0.5
271.09674	0.9
275.10727	0.3
277.08661	0.7
279.06982	0.3
279.10175	0.9
281.07956	0.4
281.11710	0.6
283.13385	1.0
285.11261	13.1
289.08286	0.3
291.06699	0.5
291.10117	0.6
293.08228	0.6
293.11694	0.9
295.09827	0.4
299.09299	0.4
305.08176	0.7
305.11594	0.7
308.10391	0.3
309.11581	0.6
311.12741	2.6
317.08218	0.3
319.06177	0.4
319.09570	0.4
321.11224	2.4
323.12729	1.8
331.09473	0.3
333.11301	0.5
334.08261	0.4
337.10843	1.5
337.14337	0.5
339.16016	2.5
349.10770	3.2
349.23868	0.3
351.12387	0.6
361.10803	0.4
367.15427	12.7
379.11945	0.6
381.13309	1.3
393.13306	0.5
409.16385	0.5
411.14420	20.3
412.14694	0.7
461.15988	0.4
485.19489	1.3
495.17825	0.4
511.17819	0.4
513.19232	5.5
527.20831	3.0
545.21313	0.6
582.72198	0.3
663.22290	1.0
690.46234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40658	3.9
71.58695	5.1
85.35970	3.8
98.11016	4.0
112.00922	4.2
135.62784	4.5
149.56023	4.8
174.09253	4.9
212.95381	4.5
216.93649	4.3
217.71193	4.2
225.10242	5.6
253.13280	9.6
292.05304	4.7
316.14691	5.4
391.19128	5.4
437.89575	4.6
442.93530	4.7
475.21710	22.5
483.61942	4.4
491.20175	5.6
535.23187	14.9
549.02637	4.5
551.22229	5.8
563.26794	11.8
565.37683	4.8
578.25635	8.3
579.25739	16.2
594.25751	6.9
595.25665	11.8
605.24310	7.5
606.27893	11.9
609.26538	13.7
617.18958	5.8
621.26941	5.2
622.27960	100.0
623.26068	9.4
637.26434	14.5
638.27112	16.6
654.26733	7.7
666.27924	5.2
694.28735	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	694.287
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68190	11.2
70.68528	8.9
75.00774	5.6
77.44002	6.1
84.15572	6.2
93.98952	6.6
116.80663	6.0
123.11678	6.3
126.63098	5.8
130.46855	5.7
179.69139	6.6
223.12599	6.4
237.13818	7.0
239.11699	7.3
253.13388	9.7
329.58527	7.4
447.17914	9.2
459.22119	8.2
475.21310	13.4
491.21097	6.5
535.23291	16.6
563.25214	9.0
565.24622	8.6
579.25604	9.1
592.48358	6.9
595.25110	13.3
605.23730	8.5
606.27863	22.4
609.26965	9.8
622.27942	100.0
623.26453	9.7
637.27057	15.1
638.27417	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	694.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22762	2.9
51.52788	3.2
53.03948	11.4
55.01863	7.0
55.05512	37.3
57.03442	39.6
65.03931	7.2
67.05167	5.2
67.05513	80.5
69.03432	3.1
69.07076	30.4
71.04973	7.7
71.57581	2.8
76.66447	3.0
79.05500	70.8
81.03416	3.6
81.07064	78.2
82.53950	4.1
83.04986	5.1
83.08627	17.4
85.06537	5.4
88.27638	3.4
91.05485	100.0
93.07053	88.1
93.95529	3.0
95.04967	16.5
95.08614	53.1
97.06523	13.2
97.10184	7.8
99.08090	8.3
103.05483	5.7
105.07035	93.4
107.04977	7.1
107.08595	37.7
109.06516	16.0
109.10165	22.4
111.08090	8.9
113.06036	3.6
115.05440	8.3
116.06223	3.7
117.07034	49.3
118.95952	2.7
119.08579	55.7
121.06528	6.5
121.10148	21.6
121.23698	3.0
123.08076	9.1
123.11675	6.8
125.09641	9.0
127.07570	3.2
128.06212	10.0
129.07011	42.2
130.07759	4.6
131.08574	49.6
133.10135	32.1
135.08073	12.3
135.11694	13.2
137.09627	4.6
141.06964	10.8
142.07793	9.5
143.08588	33.8
144.09402	3.4
145.06567	3.3
145.10124	54.5
147.08005	4.0
147.11702	26.8
149.09647	6.6
149.13220	4.8
151.03976	3.6
153.07016	3.9
154.07739	4.9
155.08540	20.5
156.09267	3.1
157.10124	30.1
159.11694	37.3
161.09607	8.4
161.13304	7.6
163.11139	8.6
165.07082	5.9
167.08566	8.3
169.10170	14.9
171.11687	17.5
173.09682	3.3
173.13251	13.6
175.11211	5.2
175.14838	4.8
176.95085	3.1
177.12761	3.2
179.08537	7.8
181.10120	13.1
182.07506	2.8
183.11668	21.5
185.13271	34.3
187.14870	4.8
191.06989	4.4
193.10133	11.3
195.11687	14.1
197.13229	16.7
199.14822	10.4
201.16409	5.9
203.07069	10.2
203.14311	13.2
207.11694	8.1
209.13268	8.6
211.14828	6.9
217.15923	3.5
219.17528	6.2
221.13182	4.0
223.14928	5.7
225.16360	7.3
233.13344	5.8
233.15569	3.9
235.14819	3.8
237.16374	6.9
239.17961	8.9
239.90154	3.2
243.10229	5.7
247.14738	3.4
255.17534	5.6
257.18942	16.2
267.10168	6.5
271.06091	8.9
273.18384	7.0
275.20200	26.5
287.88892	3.4
313.07303	4.4
321.14957	16.8
323.23660	4.0
331.22772	5.5
349.23767	14.2
361.25436	3.9
379.08319	4.5
429.19122	4.1
459.31958	6.4
483.84183	3.5
497.32645	4.7
513.36700	3.9
527.37671	4.4
551.37537	5.2
553.38251	4.7
623.43152	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	693.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04026	0.1
55.05510	0.2
56.34698	0.1
67.01859	0.4
67.05504	0.4
68.99815	0.3
69.03423	0.2
69.07059	0.1
69.69776	0.7
79.05483	0.5
81.03419	0.3
81.07055	0.5
81.08638	0.1
85.02885	0.1
91.05489	0.6
93.07047	0.3
95.08611	0.3
107.08577	0.2
109.06597	0.1
109.10107	0.2
117.06992	0.2
119.04955	1.5
121.02875	0.8
121.10155	0.3
145.02864	0.8
153.01828	4.7
163.03918	0.5
165.01996	0.1
171.02905	0.7
197.05974	0.1
203.07083	0.3
225.05486	0.5
229.05020	0.3
243.06523	0.2
247.06108	0.2
271.06021	100.0
272.06335	1.8
283.06067	0.7
284.06821	0.5
295.05942	0.5
297.07584	0.2
313.07129	1.7
337.06985	0.4
345.26270	0.1
361.07077	0.2
367.07864	0.2
379.08252	0.3
397.09113	0.2
415.10016	0.3
433.11188	0.2
589.56757	0.1
657.29645	0.1
675.31616	0.3
693.32471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00385	0.6
56.65787	0.5
69.39141	5.0
80.04996	0.6
93.07036	0.6
94.06566	0.7
96.08139	1.2
97.06532	1.2
98.20779	1.2
108.04480	1.0
108.08113	1.1
110.06051	1.3
110.09686	1.6
116.05003	1.6
120.08074	1.0
122.06027	4.1
124.07626	2.7
134.06017	0.8
136.07585	1.9
138.09096	1.4
142.52124	0.6
144.04443	3.0
150.05530	1.7
152.07028	1.4
158.09648	0.7
160.07593	1.8
160.09988	0.7
162.05522	1.5
164.07088	0.7
164.90892	0.6
166.08630	2.0
172.03955	14.0
174.09218	1.0
178.05002	1.0
186.09155	4.5
187.08644	1.7
188.03561	0.9
188.09430	0.7
190.04971	2.3
196.07811	0.9
200.10730	1.8
201.10197	1.0
202.08812	0.9
202.10995	3.2
203.11801	7.3
204.06575	21.0
213.10170	1.7
214.08659	12.3
215.08179	4.7
215.12016	0.6
217.09741	1.9
225.09988	0.6
227.11737	1.2
228.10272	3.6
228.12187	0.7
229.09718	2.8
230.10489	1.4
231.11345	7.6
239.11761	0.7
240.08934	0.7
241.09749	2.4
242.08237	2.6
243.11336	1.0
245.09207	0.9
245.12846	1.1
247.10846	1.5
255.11270	5.8
256.09711	2.1
257.09598	0.7
257.12878	2.1
259.10812	77.6
260.11197	1.3
273.12341	6.9
283.10745	3.7
285.12363	1.1
297.12381	0.9
300.10895	0.6
301.11859	56.7
302.12344	0.9
303.13510	0.7
311.10403	0.7
319.12909	100.0
320.13312	2.1
325.11826	4.8
335.12610	0.8
337.13962	21.9
339.09705	0.9
341.11072	0.6
357.14496	2.1
371.12677	1.0
414.27689	0.7
426.85614	0.6
430.18350	0.6
625.22388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25858	0.3
55.01874	0.4
55.05502	0.7
69.74519	1.9
79.05470	0.4
80.18736	0.3
81.07036	0.3
89.03915	0.6
89.86581	0.3
90.85609	0.3
91.05454	0.4
93.07038	0.6
93.32573	0.3
94.06555	1.0
95.04984	0.3
95.07345	0.7
96.08125	1.6
97.02892	0.3
97.06511	1.3
102.05543	0.6
107.07294	0.3
108.04458	0.8
108.08107	1.5
110.05363	0.3
110.06026	1.5
110.09689	1.5
116.04984	1.7
117.05732	0.3
117.46408	0.3
119.07262	0.3
120.04433	0.6
120.08107	1.3
122.06030	3.3
124.07601	3.2
134.06035	0.5
135.06737	0.3
136.07565	2.4
138.09151	1.7
144.04460	4.4
145.02876	0.3
146.05997	0.5
148.07552	0.6
149.07123	0.7
150.05519	1.6
152.07056	2.1
158.09602	1.0
160.03978	0.5
160.07553	1.2
160.09959	0.5
162.05528	1.9
164.07066	0.7
166.08659	2.9
168.08141	0.5
170.09579	0.3
172.03947	18.8
172.07611	0.7
172.11334	0.5
174.09163	0.8
175.08664	1.0
175.12323	1.0
182.09750	0.5
182.13333	0.3
185.08365	0.6
186.09155	5.3
187.08600	1.5
188.07077	0.8
188.09312	1.4
189.10226	0.5
190.05005	2.5
196.07600	0.8
198.09235	0.6
200.07056	0.5
200.10715	1.8
201.10266	0.8
202.08850	0.6
202.10995	3.4
203.11801	6.9
204.06564	24.9
212.07095	0.5
213.08194	0.4
213.10294	2.2
214.08632	10.7
214.10738	0.6
215.08151	5.7
216.08932	0.8
217.09720	1.3
218.08113	0.4
225.10107	0.3
227.07819	0.4
227.09721	0.5
227.11830	1.4
228.10237	3.5
229.09744	2.3
229.13400	0.3
230.08260	0.3
230.10533	1.0
231.11324	6.1
237.10126	0.4
238.08586	0.4
241.09720	2.3
242.08131	1.6
243.11162	0.7
245.09219	0.9
245.12852	0.9
247.10767	1.2
255.11285	4.8
256.09692	3.2
256.12036	0.6
257.09314	1.2
257.12845	1.6
258.10187	0.4
259.10788	84.5
260.11133	1.6
271.10849	0.7
273.12329	7.1
279.11124	0.5
283.10760	3.2
284.09329	0.5
287.10361	0.4
297.12253	0.6
301.11841	59.6
302.12164	1.0
319.12891	100.0
320.13248	2.0
325.11823	5.1
335.12451	0.6
337.13953	19.4
338.14423	0.4
339.13702	0.4
357.14453	2.4
371.12268	0.3
451.83005	0.3
486.16409	0.6
504.17661	0.7
510.18835	0.9
522.19446	0.4
607.22510	0.4
657.25415	1.2
675.26733	7.7
693.37030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
60.30885	0.8
65.03951	1.4
67.01888	1.1
67.05494	1.2
69.03427	1.1
71.35185	1.9
75.08710	1.0
79.05486	1.2
80.05000	1.5
81.07059	1.4
83.04973	1.0
84.08156	2.7
85.02920	1.0
91.05473	2.0
94.06570	2.3
96.04491	1.0
103.05476	1.3
103.63035	1.1
105.07063	1.5
108.04485	2.4
108.08130	8.6
110.06010	2.3
116.53050	0.9
120.08125	1.7
122.06017	5.9
122.09633	1.3
124.07583	3.1
130.06572	4.7
131.07233	1.2
132.08090	3.6
136.03972	7.5
136.07587	30.2
144.08105	3.8
145.05234	1.4
145.08893	1.3
146.06056	1.9
146.09666	1.4
147.04413	1.1
148.07573	2.3
152.07074	1.4
154.03865	1.5
154.05009	15.5
156.08037	1.5
158.06027	43.4
158.07343	2.2
158.09621	0.9
160.03967	7.4
160.07584	5.5
162.05498	1.4
164.07118	4.8
166.08652	1.6
170.06097	1.2
170.08391	1.6
170.09705	2.2
172.07578	6.2
173.10692	1.5
174.09155	1.8
176.07089	2.1
178.05026	1.9
184.07579	1.1
185.07109	2.3
185.10721	1.4
186.05455	1.4
188.07074	1.3
190.08664	3.6
192.10156	1.7
196.07550	1.5
198.05521	1.9
198.07820	2.2
198.09346	1.4
199.08629	2.1
200.07108	3.8
201.10222	1.8
204.06602	3.9
207.06546	1.7
213.10239	4.8
214.07352	5.5
216.06555	3.1
218.08145	88.8
219.08893	4.8
220.09753	2.3
223.08678	1.4
224.07104	1.3
226.07422	3.8
227.08182	3.3
227.11856	1.6
229.09773	2.6
236.09235	19.0
238.11134	1.1
241.06071	2.1
241.09717	8.9
242.08200	1.3
244.06120	4.7
246.07614	8.4
250.10767	100.0
251.08153	1.1
251.11554	3.2
252.12677	1.6
257.09134	2.7
259.10757	7.1
262.06992	1.7
263.08032	2.2
264.08798	4.0
265.09454	1.1
269.09296	5.3
272.07999	1.5
276.08710	3.1
279.11322	1.6
285.08774	2.3
287.10287	28.1
295.10785	2.2
297.12314	2.0
299.09131	2.5
303.09796	3.7
305.11340	45.0
306.11343	1.0
311.13849	3.8
315.13376	1.2
321.12451	5.1
323.10458	1.2
329.15134	1.1
336.07275	2.8
339.09445	2.2
339.13412	31.5
341.11618	1.2
351.09863	6.5
357.14490	22.0
365.11310	1.3
371.16089	17.5
383.12683	2.1
389.17087	1.9
401.13519	4.1
405.22528	1.1
416.16367	1.1
444.15738	1.5
458.16782	1.2
476.17957	1.9
488.17932	3.8
504.10858	1.3
504.17679	16.1
505.17825	1.7
506.19208	9.1
522.19165	2.4
536.12360	1.8
536.20325	29.7
625.22565	3.4
643.23352	2.0
661.25110	1.7
693.40820	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	693.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74086	1.2
67.05499	2.3
68.80934	1.0
69.03445	2.0
69.22435	9.8
70.06604	1.2
73.02895	1.3
73.36760	1.0
73.69202	1.0
79.05480	2.4
79.12177	1.0
81.07068	1.9
83.04976	1.1
91.05482	2.3
93.07057	5.2
94.06577	13.2
95.07361	8.1
96.04507	1.5
96.08136	15.5
97.06507	1.3
98.21552	1.5
102.05535	10.2
107.08649	1.1
108.08131	10.9
110.09684	27.9
119.08604	1.2
120.04439	1.1
120.08109	19.4
121.10075	1.1
121.20531	1.2
122.06027	12.8
124.07593	2.4
125.08357	1.4
128.10707	1.7
136.07582	12.8
138.09134	32.7
140.07042	3.7
148.07574	5.3
152.07094	1.1
158.08118	1.3
162.23451	1.1
166.08653	48.6
172.03897	1.6
179.69627	1.2
195.09218	1.3
197.10797	2.7
199.63545	1.1
204.06537	1.9
207.09189	1.6
208.09912	1.6
209.10712	8.3
211.12245	1.4
221.10838	2.2
223.08694	3.0
223.12378	3.1
225.10240	5.9
235.08676	9.7
236.09407	6.6
237.10214	14.5
238.10962	2.0
239.08037	1.3
239.11783	2.9
249.10214	29.5
250.10979	8.5
251.08224	7.6
251.11823	10.6
252.08920	3.1
253.09764	6.6
255.26260	1.1
261.10251	4.0
263.08173	5.9
264.08951	8.3
265.09711	17.3
266.10559	3.4
267.11365	11.6
269.09290	2.7
269.12778	2.5
277.09735	27.9
277.12524	2.2
278.10501	10.9
279.07687	9.9
279.11292	26.3
280.08572	2.4
280.11646	2.0
281.09204	3.4
281.12607	2.3
282.09955	2.4
283.06097	3.5
283.10956	4.5
285.12170	1.1
291.07690	5.7
291.11026	1.4
292.08417	3.8
293.09183	4.5
295.10770	11.4
296.11694	1.2
297.09207	1.3
297.12375	4.9
298.09372	2.6
299.10217	1.8
305.09192	17.1
307.10779	21.7
308.11444	2.9
309.08865	6.7
309.11987	2.1
310.09595	1.6
311.10342	12.0
312.10773	1.1
313.11826	1.5
321.08627	5.5
323.10220	13.7
324.11066	1.7
325.11789	6.7
327.13718	1.4
329.15237	1.3
333.08688	12.2
335.10406	1.2
337.11923	4.5
339.09735	4.0
340.10693	1.4
341.11328	1.5
343.12912	2.7
351.09763	63.1
352.10135	1.8
355.12863	6.5
356.13770	1.7
357.14297	1.3
365.11310	2.7
369.10687	1.9
370.11716	2.3
371.12384	30.8
372.12653	2.4
381.14920	1.4
383.12411	33.7
384.13034	2.3
400.16754	1.3
448.18845	1.2
454.13919	3.5
460.18369	3.3
467.49533	1.2
472.15091	7.1
476.18326	4.1
478.20020	2.9
482.22839	2.0
486.16684	5.9
492.17700	4.0
504.17654	22.9
505.18509	21.8
508.20950	1.6
510.22079	3.4
513.36023	3.2
518.19360	5.3
531.36975	2.5
536.20306	100.0
537.20935	9.0
585.11444	1.0
597.23016	1.5
625.22607	2.7
639.23987	2.4
657.25757	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	693.158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05500	0.8
56.96558	1.2
57.03423	0.6
59.65084	0.4
65.69672	0.4
67.05497	1.2
69.03404	0.7
69.07076	0.8
70.03812	0.5
70.61900	0.4
71.56131	0.7
73.02892	0.5
79.05487	1.5
81.03435	3.3
81.07055	2.6
81.39403	0.4
83.04976	0.8
83.08607	0.7
85.02895	1.5
91.05489	2.0
93.07033	1.5
93.62450	0.4
95.04955	1.4
95.08587	1.5
97.02884	0.7
105.07036	2.6
107.04942	1.1
107.08617	1.2
109.02858	0.6
109.06547	0.6
109.10140	0.7
111.08048	0.5
117.06992	0.6
119.08571	1.2
121.10171	1.0
125.09642	0.4
129.07010	0.6
130.29106	0.4
131.04924	0.5
131.08539	0.7
133.10132	0.9
135.11784	0.4
137.05956	0.6
145.10051	0.8
147.11699	1.1
151.07568	0.5
154.83148	0.5
157.10147	1.1
165.12794	0.5
175.11230	0.4
177.05492	0.7
191.07068	1.2
193.12231	1.2
197.72656	0.4
207.06946	0.5
208.55573	0.4
211.13373	0.7
240.04063	0.6
266.05771	0.5
267.15912	1.9
281.08322	0.7
283.05933	0.5
285.16986	1.4
286.17499	0.8
293.61618	0.4
298.04712	0.9
310.07983	0.6
313.07013	2.5
313.10739	2.6
314.07297	1.4
314.10815	1.0
334.08203	0.5
334.54507	0.5
335.05267	100.0
336.05582	1.6
341.10239	4.5
342.10544	1.2
353.06122	1.2
376.08057	2.4
381.09473	15.6
381.13986	0.7
382.14310	0.6
391.11737	5.5
392.12112	9.0
392.17221	0.5
409.13248	0.7
410.13129	1.2
410.26447	0.6
413.12726	0.5
459.27219	0.6
477.28314	1.5
478.28229	0.6
483.09814	0.6
495.29678	0.7
692.39435	0.6
693.30255	0.6
693.42944	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	693.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05503	1.0
56.96573	1.7
57.03415	0.8
67.05499	2.0
69.03442	0.7
69.07069	0.9
70.81738	0.9
70.82074	1.6
79.05501	2.9
81.03411	2.1
81.07050	3.9
83.08614	1.5
85.02904	2.5
85.06559	1.0
91.05496	1.8
93.07037	0.9
95.04987	1.9
95.08607	2.6
105.07040	1.2
107.04948	1.3
107.08591	1.6
109.10157	1.6
111.08102	0.8
119.08592	1.4
121.10133	0.8
131.08633	0.8
133.10132	1.0
134.03560	0.8
145.10191	0.7
151.07632	0.7
157.10168	1.0
165.09044	0.9
177.05527	1.0
211.13321	0.9
257.10690	0.8
267.16031	1.1
269.08145	5.6
285.09906	1.0
285.16837	1.0
311.05435	1.4
313.06894	1.5
332.04474	1.4
341.10257	2.2
351.04855	3.5
352.55560	1.0
353.06586	0.8
366.07227	1.6
366.71307	0.8
381.09476	100.0
382.09756	0.9
411.14337	2.0
477.28384	1.0
495.29294	1.4
506.61227	1.0
540.13477	0.8
566.11841	0.9
649.33215	1.0
692.39728	1.5
693.40399	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	692.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46508	1.3
55.01870	2.9
55.05513	17.3
57.03439	18.4
61.02935	3.1
63.04789	1.4
65.03928	1.8
67.05510	30.3
69.03429	6.5
69.07075	8.8
71.04995	5.3
73.02930	1.9
77.56085	1.5
79.05499	31.3
81.03421	89.8
81.07063	36.2
83.04986	20.3
83.08620	30.3
85.02910	31.8
85.06568	3.3
90.62739	1.5
91.05486	41.4
93.07056	19.3
95.04980	30.8
95.08604	13.1
97.02883	7.0
97.06515	6.5
97.10154	6.6
99.08064	2.9
105.07046	28.1
107.04978	9.8
107.08614	8.9
109.06510	5.7
109.10178	3.6
111.04423	4.7
111.08082	11.7
113.06036	3.3
117.07010	2.1
119.08599	25.0
121.06530	2.9
121.10150	14.6
123.08071	3.5
123.11693	3.9
125.09609	4.1
128.13454	1.5
129.07011	16.6
131.08575	16.9
133.06493	3.5
133.10164	15.5
137.09601	2.4
142.07765	3.2
145.10101	3.8
147.08070	5.5
147.11691	19.7
149.09615	8.7
151.03754	1.5
157.10135	22.0
159.08113	1.8
165.09174	1.7
165.12729	4.3
175.11197	20.0
193.12245	62.3
211.13300	100.0
223.44850	1.7
244.97020	1.4
249.14845	2.3
267.15939	40.9
279.73492	1.6
285.16980	90.2
333.14441	9.3
334.14661	8.1
377.37003	1.6
385.23724	4.7
454.84549	1.7
459.27545	25.7
477.28519	25.8
495.29584	67.7
566.66376	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	691.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
54.68761	0.4
55.05507	1.7
55.85846	0.5
55.86346	0.4
56.55354	0.4
57.01389	0.4
57.03434	2.0
59.06138	0.5
61.02931	5.6
62.88971	0.4
67.05505	7.2
69.03435	3.0
69.07079	1.3
69.21995	4.5
71.01366	0.5
71.04993	0.8
73.02921	5.0
79.05492	2.9
80.53601	0.4
81.03423	1.5
81.07065	4.4
83.08598	1.0
85.02905	5.5
87.04456	0.4
91.03954	3.7
91.05479	2.1
93.07052	3.3
95.04974	0.6
95.08610	3.3
97.02895	3.9
97.06522	0.6
99.04453	0.7
101.02401	1.4
105.07046	1.6
106.58393	0.4
107.08610	1.8
109.02886	0.8
109.10155	4.9
117.07010	0.4
119.08611	1.7
121.10155	1.0
127.03953	1.2
131.08627	1.2
133.10159	0.9
135.11722	0.8
145.10094	0.6
149.74966	0.5
155.06424	0.4
159.11774	0.6
173.11778	1.2
195.10013	0.7
213.77623	0.6
243.08461	1.3
335.26111	0.5
365.13873	0.7
413.17816	4.5
519.29413	9.1
691.40289	100.0
692.40747	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	691.403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01857	0.5
55.05504	1.6
57.03438	1.5
58.47961	0.4
59.06117	0.6
60.16121	0.3
61.02682	0.4
61.02934	5.3
65.03947	0.5
65.65318	0.4
67.05509	8.8
69.03431	3.0
69.07067	0.9
70.60609	1.1
71.04984	0.6
73.02929	3.6
79.05505	2.6
81.03421	1.8
81.07063	3.6
83.08609	0.7
85.02917	5.3
85.07680	0.4
87.04459	0.5
91.03967	3.4
91.05493	2.6
93.07064	3.1
95.04992	0.6
95.08611	2.6
97.02903	4.0
99.04480	0.8
101.02392	2.2
103.03951	0.4
105.07049	1.6
107.08595	1.7
109.02887	0.8
109.10168	8.4
117.07053	0.5
119.08607	1.6
121.10187	1.0
127.03937	1.7
131.08566	0.6
135.11719	1.0
145.04945	0.5
147.11700	0.7
168.23141	0.4
173.11777	1.5
185.04234	0.9
195.09955	0.8
229.14384	1.1
243.08447	2.1
321.14719	0.5
335.25848	0.4
365.13718	0.7
408.36862	0.4
413.17877	8.9
476.55133	0.5
477.10791	0.4
519.29224	5.5
543.68854	0.4
583.73834	0.4
691.40295	100.0
692.40680	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	691.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94468	0.4
69.03440	0.5
71.58083	0.5
71.58447	0.4
85.02872	0.5
124.74802	0.4
127.70676	0.4
137.29930	0.4
165.09163	0.6
218.01196	0.4
236.01645	0.3
334.19464	0.4
335.08896	5.9
361.14209	0.8
379.15161	100.0
380.15411	2.2
673.33856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
56.96556	0.7
57.03445	0.7
67.05500	1.5
69.03438	1.0
69.07055	1.1
69.54337	3.7
73.97959	0.5
77.77504	0.6
79.05478	1.3
81.03413	1.3
81.07047	2.2
85.02905	1.6
87.00809	0.6
91.05492	2.4
93.07034	1.6
95.04955	0.6
95.08618	1.8
98.20815	1.2
105.07030	1.7
107.08588	1.3
109.10172	0.8
119.08611	0.7
121.10146	1.1
127.03915	0.9
131.08580	1.0
133.10132	1.0
145.09982	0.6
149.02420	0.9
151.04068	0.6
158.59096	0.6
165.09131	4.8
167.16145	0.7
190.28961	0.7
222.87631	0.6
299.09256	1.8
343.73624	0.6
400.15594	0.8
414.17270	0.7
415.14209	0.6
416.14899	0.8
428.14868	1.1
429.15332	1.2
430.16327	3.3
431.17499	0.8
441.19858	1.2
443.17142	3.1
444.18115	2.0
456.13977	0.9
457.19016	3.8
458.19739	1.7
459.20847	1.4
467.17343	1.3
470.12451	2.0
473.18292	0.8
483.12466	1.3
483.17380	0.7
484.13440	5.4
485.14041	1.0
485.18637	1.1
486.11633	0.9
486.18958	0.7
496.17410	1.1
497.14529	2.0
497.19272	1.0
498.15564	1.9
499.16364	2.7
511.16251	2.6
512.17145	5.6
513.17627	7.3
514.18176	3.3
523.16187	2.5
525.17853	3.7
526.18640	1.0
527.19415	1.7
544.19568	0.8
545.23926	2.3
555.18915	1.3
571.18579	1.4
573.23767	2.7
599.21509	1.2
600.22119	3.6
601.23065	8.3
602.20544	1.2
617.22839	0.9
632.24786	1.7
659.23566	1.3
660.24182	1.1
673.25171	0.7
676.22888	1.2
691.26105	100.0
692.26282	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	691.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01885	0.8
55.36487	0.5
57.03426	1.5
61.02928	1.5
61.68921	0.6
63.32793	0.5
65.03929	1.4
67.05492	0.7
67.56030	0.5
69.03435	4.9
69.07071	0.5
69.99181	2.6
70.06536	0.6
73.02918	4.3
79.05490	2.4
81.03403	1.9
81.07057	0.6
83.61813	0.5
85.02911	11.6
91.03960	0.7
91.05463	1.6
93.03402	1.4
93.07043	0.7
95.04974	0.9
97.02895	4.7
97.06518	0.6
98.21349	0.7
102.05537	0.7
105.03394	0.6
105.07066	0.6
107.04968	6.4
108.08162	0.6
109.02886	1.2
111.04431	1.5
115.03949	0.9
115.05404	0.8
117.07059	1.1
119.04926	2.3
119.08643	0.5
121.02876	1.9
121.06535	0.7
125.05981	0.9
127.03896	3.3
131.08551	1.3
133.02863	9.4
133.04909	1.3
135.04405	2.1
137.05978	2.3
141.07025	0.6
141.10219	1.8
145.04918	1.7
145.06509	2.6
147.04416	3.3
149.02341	1.4
149.05983	0.8
151.03917	0.6
151.05070	1.2
153.05461	6.8
155.08530	0.9
159.04372	3.5
159.08067	1.3
161.06055	0.6
163.03818	2.6
165.05492	14.5
165.06873	1.2
167.03374	2.5
168.05663	0.7
169.06467	1.0
173.06010	4.3
177.05470	10.5
177.08971	0.6
178.06264	9.5
179.07016	1.0
183.08098	1.3
185.06056	0.7
187.03879	0.6
187.07544	6.0
188.08363	0.5
189.05505	0.9
191.06982	0.8
197.05908	0.6
198.06673	0.8
201.05479	7.8
201.09145	1.2
205.04826	0.6
205.08672	1.8
211.07538	5.6
213.05469	0.6
215.07048	2.2
219.06517	4.9
227.07022	1.0
229.08585	10.3
239.07068	1.1
257.07947	1.3
279.68219	0.7
327.08585	0.8
333.11353	0.8
351.12134	0.6
369.13831	0.5
379.11816	2.4
383.11221	1.0
397.12842	100.0
398.13293	3.5
439.13818	1.0
457.80933	0.7
488.20737	0.6
493.15018	1.1
529.16681	1.1
655.51611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00254	1.9
51.02380	2.9
53.03947	15.3
55.01863	9.3
55.05516	33.2
57.03447	15.7
57.07079	2.8
59.38589	2.6
65.03938	6.8
67.05512	75.4
69.03433	29.2
69.07072	21.9
70.80005	2.3
70.80340	5.2
71.04981	8.6
75.27817	2.2
77.15135	2.4
79.05499	73.6
79.68013	2.2
81.03427	100.0
81.07063	76.5
83.04984	20.0
83.08630	27.7
85.02906	18.1
85.06547	4.3
91.05486	66.3
93.07050	73.0
95.04980	51.2
95.08617	49.8
97.02915	20.9
97.06516	6.9
97.10162	8.0
98.20766	3.1
99.04449	6.3
103.03957	3.8
103.05477	4.3
105.04552	3.2
105.06377	3.8
105.07038	52.6
107.04942	15.8
107.08607	40.5
109.02892	15.5
109.06520	9.1
109.10172	18.3
111.04483	13.9
111.08071	8.8
113.05939	3.6
115.05443	4.4
117.07034	20.2
119.04958	3.8
119.08589	42.0
121.02882	2.4
121.06483	9.5
121.10159	32.0
123.04443	16.6
123.08063	5.8
123.11691	6.9
125.09608	7.0
127.03943	11.7
128.06264	4.7
129.05482	4.3
129.07011	15.2
131.04935	3.7
131.08585	30.7
133.06491	10.4
133.10147	25.3
135.08052	8.1
135.11693	17.9
137.05980	3.4
137.09584	3.0
139.11122	2.4
141.06992	5.4
142.07742	2.8
143.08546	13.7
145.06477	4.5
145.10146	22.0
147.04414	5.0
147.08054	6.3
147.11708	27.7
149.09610	6.8
149.13284	9.0
151.11157	3.3
155.08551	6.2
157.06448	3.6
157.10158	17.7
159.08073	4.1
159.11749	14.1
161.09564	5.0
161.13252	5.2
163.11215	14.4
163.14862	2.9
165.07144	2.4
165.12750	5.6
167.08539	3.4
169.10077	7.0
171.07841	2.4
171.11641	8.5
173.04433	3.8
173.09627	3.9
173.13286	8.8
175.11197	12.8
175.14806	4.6
179.08540	2.6
181.10188	4.4
181.12160	3.4
182.57899	2.2
185.09613	3.5
185.13229	4.7
187.14790	4.5
189.05502	3.3
189.12724	5.2
191.10652	6.1
191.14345	3.8
193.12248	34.6
195.11850	2.8
197.13184	3.4
199.11130	3.3
199.14760	2.6
205.12280	2.8
207.13765	3.6
211.13297	47.9
215.14499	2.6
217.12207	3.2
225.12773	2.6
227.12706	4.4
235.13243	11.1
249.14784	4.4
259.13312	4.8
259.20459	4.0
261.22153	11.0
267.16006	12.6
273.14819	8.5
273.22064	3.1
277.14307	2.8
285.16928	6.9
301.14407	12.4
301.21625	4.3
319.15414	5.7
333.24228	3.0
335.25739	27.1
337.16391	4.8
341.24506	3.1
351.22894	5.5
355.17279	3.4
369.24265	7.2
375.17847	4.8
387.25238	4.6
393.19037	4.7
411.19965	7.6
443.27933	4.8
461.28687	3.9
527.37213	10.5
545.38068	7.9
569.38324	3.9
635.39600	5.4
653.40179	10.2
671.41187	10.9
689.42505	61.7
690.42920	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	689.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.6
55.01864	7.2
55.05520	29.1
57.03445	8.8
57.07072	3.1
65.03941	6.8
67.05511	83.2
69.03077	2.0
69.03437	32.7
69.07074	23.9
69.85143	9.0
71.01347	1.5
71.04991	10.1
73.02903	1.5
77.03906	3.3
79.05501	73.4
81.03426	100.0
81.07062	78.6
83.04989	21.3
83.08623	26.5
85.02912	19.0
85.06544	2.9
91.05489	69.3
93.06464	3.6
93.07055	69.6
95.04433	2.8
95.04984	29.8
95.08615	49.2
97.02901	26.2
97.06540	7.6
97.10171	6.5
99.04465	7.1
99.08089	3.0
103.05506	2.1
105.04534	2.3
105.07042	46.4
107.04949	10.8
107.08603	36.4
109.02888	17.0
109.06539	10.2
109.10173	16.9
111.04462	15.3
111.08086	8.6
113.06008	2.4
115.05447	3.8
117.07029	16.9
119.08588	35.1
121.06522	6.0
121.10153	27.2
123.04478	2.5
123.08085	4.9
123.11761	7.6
125.09611	3.2
127.03951	11.7
128.06226	3.8
129.05501	3.8
129.07001	15.8
131.04944	2.7
131.08572	30.1
133.06526	6.1
133.10146	21.5
135.08081	4.2
135.11714	15.8
137.05989	2.2
137.09621	5.9
137.13362	1.9
141.07005	3.3
142.07780	2.1
143.08618	9.9
145.06505	3.6
145.10138	19.6
147.04510	1.7
147.08083	4.4
147.11700	25.7
149.09642	6.0
149.13309	6.3
153.12752	1.6
155.08586	5.9
157.06544	1.6
157.10129	19.1
159.08134	2.9
159.11688	11.1
161.09558	2.9
161.13312	7.4
163.11189	5.9
163.14914	2.5
165.12823	5.1
167.08575	2.3
169.10214	3.9
171.08046	2.1
171.11725	5.7
173.04506	6.1
173.13303	6.2
175.11209	17.2
175.14877	1.7
179.08568	1.4
181.10229	2.7
181.12271	4.0
183.11682	4.8
185.09721	1.8
185.13368	6.5
187.14793	3.5
191.10701	5.0
193.10448	2.6
193.12259	43.5
197.13326	4.4
199.11269	1.8
199.14969	2.9
201.12860	1.7
201.16409	2.1
203.07111	1.7
209.13362	3.2
211.13289	63.2
227.12865	5.0
229.14407	3.0
231.82323	1.7
249.14955	2.1
259.20667	3.1
261.22195	6.0
267.15887	10.5
277.21667	2.1
285.16888	8.5
301.21765	3.2
315.23090	1.7
335.25784	16.3
337.16833	3.0
345.24594	1.9
351.23297	4.1
355.17648	10.8
357.24301	1.9
369.24185	8.7
387.25278	2.9
405.26544	1.9
411.20248	5.2
435.32678	3.5
443.28094	5.5
461.29333	4.7
527.37543	11.9
545.38641	10.3
615.38812	2.1
635.39978	2.2
641.39368	2.1
653.40619	5.1
671.26117	3.0
671.41321	6.6
689.31311	2.8
689.42584	77.7
690.43213	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	689.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.6
53.03950	12.9
55.01875	6.8
55.05516	27.1
57.03446	15.3
65.03944	4.8
67.05511	74.8
69.03435	32.9
69.07077	22.2
70.15362	2.3
70.94597	5.6
71.04998	11.1
76.64589	2.2
79.05499	73.9
79.05968	4.3
81.03423	100.0
81.07064	72.4
81.07430	1.5
81.56761	2.1
83.04987	20.4
83.08632	20.2
85.02908	15.9
85.06560	4.4
91.05489	61.2
93.07054	62.3
93.07626	3.9
95.04981	30.7
95.08617	48.1
97.02911	16.2
97.06542	8.2
97.10168	7.2
99.04475	6.3
105.07032	46.1
107.04967	8.8
107.08604	38.2
109.02891	16.1
109.06535	10.4
109.10166	17.2
111.04464	14.1
111.08108	8.6
115.05448	4.6
117.07021	17.5
119.08581	30.8
121.06533	2.9
121.10165	28.3
123.04420	4.7
123.08057	4.6
123.11721	6.9
125.09625	4.6
127.03957	10.8
128.06181	3.5
129.07019	18.1
131.08580	28.7
133.06517	3.6
133.10132	19.0
135.08095	9.6
135.11725	15.4
137.09607	5.1
137.16539	2.2
142.07823	3.8
143.08565	6.9
145.10118	20.8
147.08058	5.6
147.11690	22.5
149.09647	8.1
149.13258	6.7
151.07603	2.4
155.08562	3.6
157.10150	17.2
159.08092	3.3
159.11693	11.5
159.31517	2.5
161.13278	8.4
163.11273	5.8
165.12755	8.0
171.11722	5.2
173.04448	4.1
173.09616	3.7
173.13277	7.4
175.11234	12.3
181.10097	2.3
181.12270	2.7
183.11754	4.6
185.13306	4.3
187.11244	2.6
187.14807	3.8
189.12877	3.3
191.10741	3.9
193.12256	43.5
197.13414	2.8
199.11253	2.2
199.14967	2.7
203.06982	3.7
209.13306	2.9
211.13300	67.4
211.15253	4.0
227.12810	4.3
243.21030	3.0
245.84479	2.1
261.22192	7.9
267.16022	7.7
273.14886	2.5
273.22092	2.9
285.17053	7.3
301.21725	6.3
335.25845	15.5
345.24387	2.6
351.23206	5.2
355.17596	7.4
369.24335	6.1
373.57474	2.4
376.30112	2.3
387.25314	5.1
411.20352	6.4
433.12827	3.1
527.37512	15.0
545.38434	7.4
551.10706	2.4
579.35126	3.0
671.40558	4.9
689.30890	7.3
689.42511	59.3
690.43683	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	689.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99727	0.4
65.03928	1.8
69.07053	0.7
70.68297	0.9
70.68674	1.0
74.09707	1.5
79.05498	0.9
83.04986	0.5
83.36487	0.5
88.44416	0.4
89.06024	0.5
91.05484	87.4
92.05820	1.7
98.22930	0.5
103.05444	1.1
105.03400	1.8
105.07042	6.6
115.05453	0.9
129.07019	0.8
131.04965	2.4
141.06989	0.7
153.06973	0.6
159.04434	1.9
165.07045	2.2
166.07806	4.3
167.08536	0.8
178.07771	1.5
179.08626	4.0
181.06526	0.7
181.10114	3.3
189.05473	11.1
189.07021	0.8
190.07828	1.1
191.08563	4.3
193.10194	0.6
194.07234	3.1
195.07968	1.0
196.08827	0.6
203.07018	0.5
203.08862	0.6
207.08093	1.5
209.09605	4.2
211.11172	1.2
213.09154	1.5
219.08044	1.7
221.06184	0.5
221.09615	0.8
224.08139	1.0
235.07706	0.9
237.09108	6.0
239.10725	4.5
249.09157	2.1
254.67465	0.5
261.68552	0.5
267.10162	100.0
268.10498	6.0
285.11234	1.9
289.12524	3.0
299.10883	0.9
311.10959	1.6
321.14801	1.3
323.16431	85.3
324.16779	7.5
349.16037	1.6
365.15744	0.6
367.17380	2.8
563.23340	0.5
633.26501	1.2
689.32867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32889	0.4
65.03941	2.1
69.07062	0.9
69.45189	3.0
74.09735	3.7
75.10051	0.7
79.05496	0.7
81.07055	0.5
88.72530	0.4
89.06026	0.4
91.05486	92.7
92.05814	2.1
93.07034	0.6
94.48081	0.4
98.21555	0.8
103.05484	2.0
105.03401	1.9
105.07041	6.2
106.07371	0.4
107.08545	0.4
111.04483	0.4
115.05482	1.0
116.59312	0.4
117.07018	0.6
131.04965	2.5
141.07051	0.5
143.08517	0.4
152.06259	0.7
153.07072	0.5
159.04501	1.8
161.05919	0.5
165.06963	2.7
166.07782	4.6
167.08539	0.7
168.89670	0.4
177.05397	0.8
178.07755	2.0
179.08543	5.2
180.09204	0.5
181.06479	0.8
181.10130	4.8
182.10469	0.5
189.05478	12.0
189.06848	0.6
190.06033	0.4
190.07828	1.0
190.63437	0.4
191.08540	4.1
193.10127	0.7
194.07253	4.1
195.08081	1.1
196.08771	1.0
205.05009	0.5
207.08102	1.6
208.08719	0.4
209.06175	0.6
209.09647	5.3
211.07631	0.5
211.11189	1.3
213.09128	1.1
219.08025	2.3
221.06255	0.8
222.06775	0.5
224.06438	0.4
224.08374	1.9
225.08981	0.4
235.07684	0.8
235.80069	0.4
237.09131	7.3
238.09547	0.7
239.10669	4.6
249.09122	1.9
267.10165	100.0
268.10516	6.3
285.11285	1.6
289.12405	3.5
299.10977	0.7
311.10919	1.4
321.14771	1.2
323.16437	83.6
324.16794	7.2
349.16116	1.4
367.17142	2.4
525.81055	0.4
633.26355	0.7
689.32062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
65.03937	2.6
67.05516	0.6
69.07079	1.3
70.03425	2.2
72.47161	0.4
74.09711	1.3
75.59181	0.5
79.05507	0.9
81.07073	1.0
83.04947	0.4
83.08560	0.4
91.05486	92.9
91.24927	0.4
92.05829	1.9
95.04951	0.6
103.05463	1.8
105.03432	2.3
105.07036	6.7
107.08546	0.6
115.05473	1.3
122.20146	0.4
123.12989	0.4
129.07021	0.8
131.04953	3.5
141.07018	1.0
153.07060	0.8
157.10030	0.5
159.04466	2.9
161.05968	0.6
165.07024	2.8
166.07773	4.4
166.28026	0.4
167.08542	1.4
172.05194	0.5
177.05501	0.7
178.07782	3.0
179.08556	4.6
181.06506	1.0
181.10118	3.8
189.05492	12.5
189.07018	0.8
190.06046	0.5
190.07794	1.2
191.08559	4.0
193.10117	0.6
194.07286	3.5
195.07985	1.2
196.08745	0.6
203.06995	0.8
207.08061	1.4
208.08804	0.9
209.09639	5.6
211.11191	1.7
213.09160	0.9
219.08183	1.4
221.06081	0.6
221.09535	0.6
222.06702	0.5
224.08371	1.6
227.10664	0.7
235.07571	0.6
237.09113	6.9
238.09465	0.8
239.10692	5.4
249.09090	2.1
267.10168	100.0
268.10513	5.8
285.11343	1.4
289.12509	2.8
311.10812	1.2
321.14944	1.6
323.16434	90.6
324.16833	6.4
349.16095	1.9
367.17212	3.2
633.26447	1.2
649.22900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34827	0.6
61.39423	0.6
64.48231	0.6
65.03941	2.0
67.05495	0.7
69.07069	1.3
71.58897	0.7
73.44712	0.6
74.09722	5.5
79.05509	0.7
81.07069	0.9
91.05485	91.3
92.05821	1.8
93.80387	0.6
103.05488	1.3
105.03410	2.2
105.07036	6.5
106.07379	0.6
109.10168	0.9
112.99130	0.6
115.05466	1.3
119.08549	0.9
119.64638	0.5
129.07019	1.0
131.04922	2.4
133.06429	0.7
141.07057	1.1
145.10135	1.0
159.04472	2.3
159.11768	0.6
165.07039	2.9
166.07790	5.2
167.08531	0.8
178.07831	1.8
179.08583	6.2
180.09071	0.8
181.06500	0.6
181.10115	4.4
189.05466	10.8
189.07028	1.1
190.07762	1.1
191.08548	4.0
193.10077	0.7
194.07315	3.1
195.08134	0.9
203.07060	1.4
207.08089	2.5
209.09621	5.5
211.11232	2.1
213.09224	0.6
219.08098	2.0
221.09604	0.7
224.08363	1.3
235.07700	1.0
237.09041	5.4
239.10719	3.9
249.09210	1.6
267.10175	100.0
268.10498	4.8
285.11227	2.0
289.12399	4.2
311.10678	0.8
313.75299	0.7
321.14716	1.1
323.16437	86.0
324.16837	6.7
326.86218	0.7
329.58652	0.6
349.16214	1.0
367.17267	3.3
525.81018	0.6
529.78900	0.8
633.26337	0.7
689.48065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26440	0.8
57.92887	1.0
67.05503	1.9
69.18668	10.3
69.71613	0.9
78.57256	0.9
79.05508	2.1
81.03400	1.0
81.07056	2.1
89.06044	2.3
91.05491	2.1
93.07029	2.2
95.04935	0.9
95.08605	1.6
105.07056	2.7
109.10166	1.0
121.10153	0.9
122.04777	1.0
131.08522	1.2
133.08572	2.3
133.10080	1.1
177.11388	0.9
218.01073	0.9
312.90289	0.9
384.12289	2.9
385.12903	5.7
386.14429	1.3
397.13245	1.7
398.13785	8.0
399.14597	12.9
400.15521	18.9
401.16241	1.2
403.15417	1.0
411.14737	2.0
412.15494	7.9
413.16205	18.6
414.16937	10.5
416.14877	1.9
418.17270	1.9
423.14633	1.2
424.81332	1.1
425.16711	1.6
426.17010	3.1
427.13068	2.6
427.18436	11.3
428.18646	15.0
429.19434	12.5
440.14642	1.4
441.14853	6.5
442.16327	13.3
444.14246	1.6
445.19244	1.5
446.17169	1.3
454.16220	2.1
455.17215	34.6
456.17963	14.6
457.14471	1.9
458.16153	4.7
459.16656	4.4
460.16580	1.1
468.93674	1.0
469.14667	2.7
481.15009	2.0
483.16772	27.6
484.16412	6.7
485.17847	1.2
486.18759	1.6
487.15613	2.7
488.16345	1.7
495.16290	1.3
496.17551	1.2
498.14737	1.1
499.16412	7.6
500.16742	1.9
501.17621	1.2
509.14456	2.2
511.20105	1.8
513.13544	1.1
515.19208	2.0
523.16064	2.7
524.16974	1.4
527.15570	26.9
528.15894	10.8
537.17621	1.4
539.19214	12.5
543.22516	15.2
555.18683	2.7
569.20178	1.2
571.21930	100.0
572.22540	5.5
573.19391	1.0
574.24341	6.7
587.21411	2.1
601.23090	6.4
602.23773	35.8
603.23688	2.4
615.20685	2.6
617.25781	2.7
629.22522	33.3
630.22827	34.5
630.33380	1.4
631.22626	2.4
633.25385	2.3
643.24487	2.0
657.21906	59.4
658.21808	4.6
661.25073	4.2
689.23920	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	687.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.2
55.05507	17.2
57.07055	7.3
58.60537	3.1
67.05505	27.7
69.03416	7.9
69.07065	31.4
69.43250	4.2
70.06599	4.4
70.42702	3.7
71.08602	3.7
71.57579	4.4
79.05502	20.5
81.03372	3.7
81.07060	95.9
83.08611	12.0
85.02913	37.3
85.06557	30.7
91.05479	14.2
93.07052	32.1
95.04990	4.8
95.08046	7.0
95.08611	100.0
97.02902	8.6
97.06532	5.1
97.10166	14.6
99.08105	25.6
105.07005	22.6
107.08599	40.1
109.02896	5.2
109.06469	5.8
109.10165	55.9
111.05584	5.9
111.08044	7.5
111.11691	5.1
113.09680	3.8
117.07045	5.0
119.08604	23.1
120.04479	7.5
121.10140	29.9
123.11713	28.4
125.09615	4.3
126.06583	5.7
127.03920	4.4
132.04449	15.1
133.10081	9.6
134.05977	4.8
135.11688	28.5
137.13251	7.5
145.04955	9.8
145.10068	5.0
147.11694	13.9
149.13272	43.7
151.06142	5.7
151.14761	4.7
153.12740	4.0
158.69553	3.7
159.11588	4.4
161.13264	10.1
163.06024	4.8
163.14825	33.0
175.14839	5.0
177.16388	17.1
178.44183	4.2
181.15891	7.9
189.16380	4.1
191.17880	11.2
195.17419	7.6
202.09723	11.3
203.17876	6.6
217.19531	9.3
230.09297	6.1
235.20564	5.1
249.11209	11.8
250.11528	12.3
259.11948	59.0
265.25305	4.7
273.25790	26.9
277.13126	9.0
279.26898	6.1
284.11328	5.4
291.26807	79.8
302.12463	29.1
309.27789	43.2
327.28922	11.0
421.16830	5.4
437.16635	4.0
439.18399	12.3
463.18549	4.7
481.20358	34.2
669.32837	27.9
687.33856	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
55.01865	3.3
55.05509	14.5
57.03432	2.6
57.07076	6.2
59.05001	2.7
65.72827	1.8
67.05506	23.5
69.03436	6.2
69.07069	41.3
69.43621	6.9
69.44048	7.2
71.04997	4.7
72.08160	2.6
79.05494	19.9
81.03419	3.2
81.07063	98.9
83.08630	17.5
85.02905	15.9
85.06550	35.0
86.99335	1.7
91.05488	6.8
93.07051	29.4
95.08612	80.3
97.02900	3.8
97.06503	2.6
97.10189	10.3
99.08104	30.3
105.07036	10.1
107.04978	1.8
107.08598	36.3
107.09292	2.8
109.02901	2.9
109.10161	45.3
111.08078	11.1
111.11711	7.3
113.09649	3.8
119.08602	7.8
120.73457	1.9
121.10155	31.0
123.11711	29.7
125.09615	3.2
127.03936	3.6
127.11242	3.9
133.10136	4.5
135.11728	13.5
137.06059	2.4
137.13254	18.4
139.11208	6.7
144.73944	1.7
145.04929	2.8
147.11691	3.2
149.13264	31.8
151.14880	4.3
153.12741	2.4
159.11699	2.4
161.13252	5.0
163.14845	14.0
165.16402	4.0
167.14293	2.1
175.14844	2.0
177.16396	25.4
191.17940	5.0
195.17473	21.7
205.19650	2.2
211.20535	1.8
213.18515	100.0
217.19495	4.9
235.20593	2.6
247.24168	2.2
253.21843	3.1
273.25858	3.8
279.26810	5.1
291.26837	22.6
297.27896	16.8
309.27914	50.3
327.28967	50.3
687.34082	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	687.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.05503	0.8
59.05002	0.9
65.03943	3.8
67.05489	4.0
69.03428	1.1
69.07076	5.1
69.63019	2.3
69.63432	2.1
79.05491	6.2
81.03394	0.9
81.07066	11.1
83.01342	1.4
83.04949	0.8
91.05486	100.0
91.76968	0.6
92.05812	0.9
93.07041	1.8
95.04976	1.5
95.08598	4.4
96.29347	0.7
103.05482	6.2
103.60957	0.8
105.03420	2.7
105.07038	31.2
107.04986	1.3
109.06506	0.7
109.10164	3.0
115.05437	5.0
117.06985	4.9
119.08595	1.9
121.06496	1.4
121.10133	1.2
123.04436	1.9
128.06259	1.7
129.07043	4.2
131.04935	3.1
131.08606	1.0
135.04428	2.3
137.06003	2.6
141.07019	3.1
143.08580	1.1
145.06509	2.1
147.04405	1.3
147.08057	0.9
149.05986	4.4
153.07053	1.9
154.07808	0.7
155.08589	1.4
157.06528	1.4
159.04401	2.3
159.08061	0.8
160.05173	2.1
161.06003	3.4
163.03926	1.1
164.40149	0.8
165.05757	1.0
165.06992	4.6
166.07806	5.0
167.08578	3.0
171.08008	1.1
173.06032	3.0
174.06764	0.8
175.07562	5.6
177.05489	10.1
177.06923	1.4
178.07806	4.9
179.08557	5.8
181.06482	1.7
181.10135	3.9
183.08099	0.7
185.06107	0.7
187.03888	1.0
187.07576	1.8
188.08382	0.8
189.05519	5.1
189.09125	1.0
190.07848	1.2
191.08589	3.0
193.10197	2.2
194.07288	2.0
195.08046	3.1
196.08986	0.8
197.05966	0.8
197.09682	1.6
200.08382	2.3
201.05513	2.1
201.09093	1.4
202.07797	0.9
203.07024	12.3
203.08678	1.7
203.10739	2.2
205.10144	2.8
207.08147	3.4
207.09825	0.7
207.11758	1.1
208.08879	2.0
209.05969	0.8
209.09613	5.0
210.06764	0.9
211.07561	1.4
211.11151	1.1
213.09198	1.8
215.08746	1.1
217.08557	0.9
218.07292	1.1
219.08047	2.5
220.08789	1.1
221.09608	3.6
223.07558	2.2
223.11205	2.3
224.08260	1.6
225.09123	10.5
226.09885	2.2
227.10675	2.3
229.14383	1.4
230.14702	0.9
231.08131	1.8
233.09659	3.8
235.07614	1.3
235.11099	1.0
236.08298	1.1
237.09091	9.0
238.09723	1.1
239.10710	6.0
241.08568	1.4
241.12219	1.2
247.09642	5.2
248.08298	1.1
249.09166	6.0
250.09967	1.1
251.10652	9.4
253.08641	3.1
253.12276	3.3
255.10149	6.7
255.13956	1.1
261.09207	0.9
262.10019	0.8
263.10693	3.7
265.05887	0.8
265.08612	1.7
265.12231	1.2
267.10175	28.1
267.13773	4.0
269.11768	1.4
277.08722	2.4
277.12164	0.7
279.10098	1.7
281.08221	2.6
281.11798	6.6
281.14584	0.9
283.13391	1.4
291.10220	5.3
291.13864	2.9
293.08054	0.9
293.15439	1.1
295.09793	0.8
295.13248	1.9
305.08069	1.3
317.11664	0.9
319.13477	1.1
321.07690	1.1
321.14807	1.6
323.09085	0.9
325.12076	1.1
336.26132	1.1
337.14511	1.2
339.10153	1.0
341.11877	1.2
348.11111	0.9
349.12219	0.8
351.13898	1.2
353.11566	2.3
354.12350	1.0
355.13348	3.0
365.11890	1.1
367.13437	1.7
368.14005	2.0
369.11063	1.0
369.15067	1.2
371.12891	0.9
378.12360	1.4
379.13132	1.0
381.11307	2.7
383.12799	3.3
384.13638	1.2
385.14258	1.0
389.21310	2.3
391.26575	1.8
395.12729	1.5
396.13562	5.5
397.14584	1.1
399.12085	1.1
411.12375	2.1
412.13168	2.1
413.13998	1.6
414.14395	1.3
429.13495	1.4
453.16455	0.8
459.19754	1.4
473.17804	1.0
477.20480	1.0
479.22168	2.9
487.19055	4.8
490.35794	1.2
493.19986	6.0
503.18494	3.8
505.20129	70.3
506.20389	2.2
507.21790	11.5
519.25397	3.0
529.23517	0.9
533.23199	1.2
545.23291	29.0
546.23657	1.4
547.25140	4.0
561.25958	1.8
563.24341	51.9
564.24701	2.1
601.29578	1.0
626.31171	0.9
629.32544	20.6
630.32709	1.3
669.35760	20.7
687.38013	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	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01863	0.8
55.05515	11.4
57.03442	11.9
57.07079	2.3
59.05006	3.5
61.02922	4.6
65.03941	2.1
67.05506	100.0
68.05827	0.8
69.03445	1.2
69.07068	9.0
69.95940	3.3
71.04992	3.9
71.08646	0.9
73.02940	0.6
79.05493	24.5
81.03422	1.4
81.07060	39.2
83.05001	1.0
83.08614	7.9
85.02899	4.4
85.06552	1.7
87.04503	0.8
91.03977	1.4
91.05480	15.6
91.06003	1.1
93.07051	26.8
95.04976	2.6
95.08612	25.5
97.02909	1.9
97.06532	1.8
97.10191	1.2
98.20751	0.9
99.08102	1.1
105.04562	0.7
105.07040	8.2
107.08591	12.9
109.06544	0.7
109.10159	72.3
111.08112	3.4
113.09678	0.7
117.07030	3.2
119.08569	9.4
121.10148	11.8
123.11708	3.2
125.09676	0.9
131.08545	5.5
133.10143	5.0
135.11713	6.3
137.09676	2.7
145.10130	5.3
147.11745	3.0
149.13271	5.0
150.17197	0.8
155.10690	5.8
159.11700	3.1
161.13292	3.0
163.14870	2.6
173.11772	16.8
173.13318	3.2
175.14888	0.9
187.14853	2.0
191.49974	0.7
201.16402	0.7
215.76593	0.6
227.12773	3.2
229.14354	73.2
230.14821	1.6
233.22670	0.8
243.21082	4.0
261.22119	15.7
317.24826	2.9
335.25803	63.4
336.26181	1.6
379.29959	0.9
397.31024	1.3
489.35785	52.1
490.36209	2.4
507.37097	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	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
53.63862	0.6
55.05515	11.9
57.03439	11.9
57.03699	1.0
57.07083	2.6
59.05010	3.3
61.02925	5.1
65.03944	2.2
67.05508	100.0
69.03432	2.4
69.07075	7.1
71.04991	3.2
71.08630	0.7
71.56608	1.0
73.02924	1.1
79.05493	18.9
81.03419	1.0
81.07062	36.7
83.05000	0.7
83.08624	8.7
85.02911	4.0
85.06547	2.9
91.03956	1.5
91.05483	13.5
93.07047	25.4
95.04976	1.4
95.08610	25.4
97.02905	2.1
97.06528	2.0
97.10185	1.9
105.07037	7.2
107.08597	12.4
109.10162	72.8
111.08121	3.1
111.19793	0.5
117.06995	3.2
119.08582	11.2
121.10154	10.0
123.11731	3.5
123.12458	0.5
125.09604	1.3
131.08588	5.0
133.10170	4.5
135.11688	7.1
137.09616	3.3
145.10133	4.3
147.11673	2.3
149.13258	3.8
151.11139	0.6
153.31702	0.6
155.10677	5.5
159.11696	2.7
160.87025	0.7
161.13277	2.7
163.14809	2.2
173.11771	19.9
173.13255	2.8
175.14873	1.3
177.97517	0.6
178.90720	0.7
187.14851	1.4
189.11215	0.9
198.12263	0.5
227.12929	3.4
229.14365	86.9
230.14650	1.4
243.21118	4.9
246.95914	0.6
261.22153	15.1
287.02576	1.2
287.05496	13.9
287.08444	1.2
289.24414	0.7
317.24786	2.3
335.25812	61.6
336.26181	1.7
397.31091	1.3
403.63782	0.6
415.31802	1.1
471.34293	1.5
489.35773	34.5
490.36050	1.3
507.36615	2.1
640.37427	0.6
686.29437	2.1
686.39435	1.8
687.31097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01847	0.7
57.03411	1.0
61.02908	0.5
63.74535	0.2
65.03921	0.4
67.05493	0.3
68.99763	0.2
69.03082	0.3
69.03429	3.9
69.07039	0.3
71.04984	0.4
71.56076	0.3
72.21874	0.2
73.02892	0.7
74.12615	0.2
78.04691	0.3
79.05471	0.8
81.03398	1.4
81.07050	0.5
85.02910	5.0
87.04446	0.7
89.03938	0.2
91.05490	1.8
93.03414	0.4
93.07024	1.1
95.04958	0.5
97.02880	1.3
98.97557	0.2
99.04454	0.5
102.04678	0.3
103.05488	2.4
105.07045	2.8
106.04128	0.6
107.01308	0.3
107.04919	1.0
107.08585	0.4
108.02104	0.4
109.02870	1.1
109.06505	0.4
109.10136	0.4
115.05444	1.2
117.03362	0.4
117.06979	0.5
118.04157	1.4
119.04910	0.8
119.08570	0.7
121.02809	0.2
121.06512	2.3
121.10130	0.3
123.04369	0.5
125.02361	0.6
125.05924	0.4
127.03876	0.8
128.06209	0.6
130.04128	0.7
131.04054	0.3
131.04944	2.6
131.08545	0.4
132.05725	2.5
133.06494	3.3
133.10136	0.3
135.04440	1.7
135.08023	0.3
137.05917	0.4
141.06926	0.3
143.04910	1.0
145.02850	0.4
145.06509	1.1
145.10106	0.5
146.03603	0.5
146.07242	0.3
147.04410	0.8
147.11711	0.4
148.05161	0.8
149.05977	2.4
152.01035	0.2
153.00580	0.3
153.01826	6.2
153.05469	0.3
153.09007	0.4
154.06189	0.5
155.04900	0.7
157.10205	0.3
158.07269	4.6
159.04402	0.7
160.05168	0.9
161.04755	0.2
161.05988	4.7
161.09576	0.2
163.07639	0.4
165.05513	0.2
167.07033	3.2
168.05699	0.9
169.06497	1.3
170.07359	0.5
171.02893	0.8
171.04364	0.5
171.08025	0.7
173.05969	0.5
174.06775	0.4
175.03900	0.4
176.04726	1.2
177.05457	1.9
178.06169	0.4
179.07018	0.7
180.07790	0.5
181.06464	0.3
181.08560	0.9
182.02098	0.5
182.09401	1.1
183.02951	0.3
183.04335	1.3
183.08037	0.9
185.05965	0.8
186.06789	4.5
187.07372	0.3
191.07063	2.5
192.07854	1.8
193.08609	3.2
196.05202	1.2
197.05966	0.9
198.06757	0.4
199.03883	0.7
199.07565	0.7
201.05412	0.5
201.09113	5.9
202.06142	0.4
209.08067	1.2
210.08897	1.2
211.03944	0.3
211.07552	1.0
211.09460	0.2
213.05486	0.7
213.09048	0.3
214.06261	11.0
215.07002	0.3
225.05508	2.1
226.06195	0.3
227.07022	1.2
229.08611	2.2
232.07455	0.2
239.07024	0.8
240.07753	1.4
241.04956	0.3
241.08528	0.3
242.05771	4.0
251.07050	0.3
254.05821	0.4
255.06554	1.2
256.07397	0.4
257.08099	11.7
259.09647	1.4
267.06534	0.4
268.07355	2.3
269.04520	0.8
269.08105	1.0
270.05215	3.2
271.05811	0.3
272.06601	0.5
283.06049	0.4
284.06781	0.8
285.07590	65.5
286.07910	1.1
287.05569	1.0
295.06110	0.3
296.06873	2.1
297.04123	0.5
297.07602	1.9
299.05719	0.4
299.09106	0.7
300.06293	3.1
311.09265	1.2
313.07065	83.4
314.07584	3.8
315.08612	14.7
316.09000	0.3
325.07108	0.4
327.08679	0.4
338.95700	0.2
355.08441	0.4
357.09628	0.4
369.09784	0.9
401.10825	0.3
419.33746	0.3
473.12357	0.8
493.15045	3.0
505.15005	16.8
513.21094	0.3
523.16022	100.0
524.16351	3.3
565.17310	0.7
685.20972	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.05298	2.6
55.05513	27.4
57.03428	4.4
57.07064	2.4
67.05222	2.2
67.05511	29.7
69.03439	11.2
69.07069	14.0
69.07385	2.9
69.40027	3.5
69.40372	20.4
71.04988	8.1
72.57826	2.2
74.09723	2.5
79.05499	26.2
81.03418	12.7
81.07057	44.5
83.04989	13.9
83.08617	16.2
85.02916	5.3
85.06535	5.4
85.38249	2.4
91.05472	28.8
93.07050	39.5
95.04974	42.1
95.08603	25.4
97.02876	8.0
97.06514	9.0
97.10174	4.3
99.04434	8.9
99.08067	4.1
105.04501	2.7
105.07029	31.2
107.04947	3.6
107.08599	38.3
109.02831	2.7
109.06519	34.2
109.10152	35.3
111.04441	4.7
111.08074	8.3
117.07018	7.9
119.04803	2.6
119.08586	28.2
121.06481	3.2
121.10151	33.4
123.08045	6.7
123.11700	10.4
124.27087	2.3
125.09633	5.4
127.03898	4.9
128.06198	2.4
129.07001	4.8
131.08560	22.9
133.10139	61.6
135.08057	8.3
135.11728	17.4
135.83481	2.2
139.11192	4.1
143.08527	7.8
145.10132	16.2
147.11687	18.6
149.09602	2.6
149.13300	14.7
151.11172	20.6
153.09108	16.2
157.10118	6.1
158.10872	6.6
159.08041	3.4
159.11749	4.5
163.07591	2.4
163.11151	2.6
163.14781	6.8
165.12689	4.7
167.08499	2.9
167.14333	18.6
171.11707	4.3
173.13266	39.9
175.14807	3.4
177.08963	2.5
185.13176	3.3
187.14821	3.6
191.14314	57.5
197.13252	3.3
203.07036	6.9
207.77660	2.7
209.15370	100.0
215.41879	2.2
227.16402	15.8
241.19693	2.5
257.07907	2.9
261.21939	2.8
303.23071	3.5
369.24255	9.6
387.25305	8.2
405.26248	7.3
413.17300	2.9
423.27017	3.3
685.28851	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	684.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47645	1.0
53.03946	4.8
55.01854	4.9
55.05519	2.1
57.03431	2.8
61.02905	3.2
68.99771	1.5
69.03423	12.9
71.04974	2.5
71.57625	1.4
73.02908	2.9
79.05494	4.8
81.03421	23.1
81.07056	1.5
83.04963	1.2
83.08599	1.5
85.02420	1.9
85.02908	31.3
87.00834	15.8
91.05471	3.6
95.04980	2.2
97.02901	15.3
99.04463	5.7
100.11253	7.2
101.11614	3.1
103.05460	2.1
105.01846	7.4
105.07022	2.6
107.04962	11.1
108.04453	2.2
109.02892	11.7
111.04470	1.3
115.05435	6.5
117.01875	2.1
117.07023	18.1
119.08649	1.1
121.06469	1.1
123.04428	2.6
124.05216	2.4
126.05426	1.5
127.03912	21.9
127.05402	1.2
128.06276	1.1
129.01822	2.1
129.06975	2.0
131.08559	3.8
132.05750	1.4
137.06024	1.0
141.07066	1.3
144.05759	3.2
145.04968	6.8
145.06485	37.3
147.02863	1.4
147.04381	1.4
147.08101	1.7
151.03897	1.2
152.04756	2.0
155.06010	5.6
156.05650	6.4
157.06500	2.2
159.02934	6.2
159.08083	6.5
161.05957	2.8
167.07043	54.7
173.05983	69.4
175.07562	1.7
177.05505	1.8
182.15364	1.2
183.15735	1.5
184.05272	2.4
187.07516	8.6
190.06238	41.8
191.06923	2.4
193.08656	2.9
202.06297	3.8
203.06963	7.5
205.08604	100.0
206.08949	1.7
207.06676	1.2
207.10214	1.4
210.16853	1.7
211.15208	2.0
211.17110	1.2
212.15381	1.8
213.03851	1.2
215.07147	1.3
217.08600	49.1
218.07100	1.3
219.08089	1.8
219.10155	5.2
223.09583	1.9
231.04997	3.2
231.07951	1.1
235.09656	27.2
247.07573	1.7
247.09706	7.9
248.08192	2.4
263.10583	2.0
264.07791	1.3
265.07938	1.9
265.10733	38.4
269.08087	3.5
271.09634	2.7
276.07785	1.7
279.10455	1.0
291.10162	2.9
293.08011	2.0
299.09076	1.3
307.09656	1.5
311.13022	1.3
315.08499	7.3
319.09848	1.2
323.12778	3.3
330.10931	12.1
330.42896	1.0
331.11685	3.9
339.13116	3.2
351.12341	4.0
353.10516	1.5
367.12982	1.2
368.12396	1.3
369.13351	2.3
371.14923	4.1
383.14886	19.4
385.16238	1.5
401.15918	17.6
506.18073	1.3
520.20605	1.6
646.94244	1.0
652.24841	2.1
665.51385	2.5
683.52216	13.1
684.52545	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	683.4501
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
55.01880	0.8
55.05513	1.6
57.07092	0.8
65.03970	1.1
67.05508	4.3
69.07065	2.0
71.58606	1.2
79.05486	2.6
81.07054	4.7
82.10545	0.8
83.08635	1.1
91.05466	4.5
93.07057	4.2
93.60387	0.8
95.04981	1.4
95.08630	3.4
105.07059	3.7
107.08605	3.4
109.10165	1.8
115.05430	1.0
119.08582	1.9
121.10148	1.4
131.08629	1.2
133.10127	1.8
145.10133	1.4
151.04050	1.0
157.10136	1.2
159.11705	0.9
169.10289	0.9
203.07042	1.6
243.10332	1.2
247.13083	1.1
257.08380	1.0
275.08722	1.1
303.15997	0.9
317.21002	1.7
333.20422	9.9
373.23511	1.4
389.23203	4.9
468.28952	1.0
519.56628	0.9
537.67859	0.8
588.84686	0.9
597.37823	1.9
683.45026	100.0
684.45795	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	683.4497
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
51.09949	0.4
52.47129	0.4
53.03931	0.5
55.05495	1.3
57.03439	0.5
57.31816	0.4
59.06114	0.5
65.03970	0.4
65.35103	0.4
67.05522	2.6
69.07071	1.8
75.04500	0.5
77.82124	0.4
79.05496	2.9
81.03453	0.5
81.07063	3.3
83.04988	0.4
83.08614	0.6
91.05488	4.1
93.07058	4.5
95.04997	1.1
95.08617	2.1
102.30270	0.4
105.07038	3.1
107.08599	2.1
109.06525	0.5
109.10180	0.9
117.07039	1.6
119.08608	2.0
121.06479	0.5
121.10149	1.0
128.06216	0.6
129.06989	0.8
131.08574	1.4
133.10175	1.3
135.08081	0.8
135.11717	1.0
143.08611	0.8
145.10147	0.9
147.08078	0.5
147.11717	0.9
149.09676	0.5
161.09647	0.4
173.13326	0.6
185.13351	0.6
188.98846	0.4
247.13094	0.7
251.58348	0.4
273.18127	0.5
282.55099	0.4
289.43112	0.5
303.15704	0.7
307.09512	1.0
315.19336	0.4
317.20831	0.5
333.20401	11.0
333.24203	0.8
345.14618	11.7
361.16190	0.6
363.15961	1.2
373.23618	1.0
389.23056	5.1
423.31354	0.7
447.21582	0.5
461.24658	0.5
539.43488	0.5
597.37903	1.8
607.30402	0.7
614.38062	0.5
639.32916	20.9
640.32758	1.0
683.44989	100.0
684.45361	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	683.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	4.2
67.05513	3.0
71.57735	3.7
81.07068	5.2
91.05468	11.9
93.07053	4.4
95.04927	2.9
95.08601	3.3
103.05498	2.9
105.07063	5.2
107.04951	3.6
107.08631	2.5
115.05518	5.5
117.06992	4.3
121.06542	3.2
128.06230	3.5
129.07007	3.8
131.04915	3.2
133.06462	2.1
135.11699	2.1
137.02417	2.3
138.64395	2.2
140.87085	2.3
141.07138	2.7
143.08543	4.2
144.05769	2.7
145.06514	7.1
147.04424	3.8
147.08080	5.3
149.02348	5.3
151.03886	4.6
151.07593	3.4
155.08566	2.7
157.06490	2.4
157.61914	2.2
159.04434	2.5
160.05183	3.8
161.02287	11.5
161.05988	9.7
163.03873	4.3
167.03461	3.0
171.04520	2.6
171.08081	5.5
173.05995	8.1
175.03935	8.6
175.07616	5.1
176.04741	7.5
177.05469	5.2
179.07071	5.9
182.07347	2.7
183.08070	3.0
184.05150	2.4
185.06078	5.7
187.03937	9.4
189.05452	6.9
189.09052	4.8
189.92426	2.2
191.03433	3.4
191.07130	8.3
192.07823	3.9
193.05084	3.6
195.08047	2.8
196.18001	2.4
198.06802	3.2
199.07603	2.6
200.04649	2.3
201.05490	45.3
203.03746	3.6
203.07048	78.2
205.04956	2.3
207.06541	4.2
211.07553	7.5
213.09224	2.5
217.04980	2.3
219.06540	21.1
225.09137	3.2
227.07051	26.5
229.08543	10.6
239.07051	3.2
243.06480	3.8
243.10245	18.5
245.08075	17.7
250.06233	2.4
253.08652	3.3
255.06570	16.5
257.08102	22.8
273.07605	16.4
285.08734	2.1
291.10321	2.6
293.08099	3.4
301.08487	2.9
307.09827	3.7
317.08118	4.2
329.07950	3.7
331.06039	3.4
331.09586	5.1
333.07397	4.0
333.11118	3.1
335.09232	2.7
343.09659	3.7
345.07578	7.6
347.05475	3.0
347.09274	10.6
347.12680	2.7
349.06998	3.3
349.10785	7.3
351.04733	2.4
355.09692	2.9
357.07465	3.8
359.05258	2.5
359.09210	9.6
361.06915	4.0
361.10767	8.5
362.11591	4.4
363.08591	5.0
365.06448	2.7
365.13998	2.8
369.07709	3.4
371.09229	5.2
373.10712	6.5
374.11603	3.3
375.08719	7.7
377.10199	6.6
379.07697	3.1
379.12018	4.4
383.09052	3.9
385.10953	3.1
387.08389	11.5
388.09427	3.2
389.10153	5.0
391.07864	6.0
391.12155	3.8
393.05789	3.2
393.13412	11.1
399.08826	4.2
401.10239	9.6
403.11823	8.0
405.08829	4.4
405.14059	12.9
407.07883	2.6
408.08316	2.9
409.08990	32.7
411.08774	3.5
411.14218	5.3
413.10492	13.9
415.08112	6.3
416.08966	2.5
417.09286	4.4
418.10559	6.3
419.11096	7.7
421.12494	2.6
423.10672	9.0
427.11880	4.8
428.12714	10.7
429.09772	6.8
430.10559	4.0
431.11356	59.7
432.12018	4.4
433.08969	5.2
445.13040	20.5
446.13696	21.9
447.10507	3.4
449.12244	9.5
457.09396	5.2
463.13950	29.4
469.58264	2.4
475.10260	4.5
481.14560	3.1
571.13544	3.4
602.16193	3.0
603.16406	7.1
615.16785	10.9
615.25104	2.4
616.17383	5.3
617.17560	3.1
619.19171	8.3
629.17786	6.1
633.17639	16.5
634.18323	5.3
635.19287	15.0
647.18976	65.3
648.19476	3.9
651.18689	34.4
665.20142	100.0
665.31274	5.0
666.20178	5.5
683.21185	19.9
683.31970	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	683.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
54.52122	0.7
54.52866	0.5
55.05503	0.7
55.75091	0.5
56.47793	0.5
57.03439	1.0
65.03938	0.6
67.05507	1.8
69.03423	1.8
71.57934	0.7
74.35288	0.7
79.05477	0.7
79.53026	0.7
81.03431	1.2
81.07058	1.9
83.04986	0.8
85.02922	2.4
91.05481	1.5
93.07047	1.9
95.04956	1.1
95.08617	1.5
97.02906	1.1
103.05518	0.7
104.23641	0.6
105.07040	2.1
107.08611	1.3
109.02911	0.8
109.06509	0.7
109.10153	1.4
117.03391	1.1
118.06548	0.9
119.08586	1.2
121.06538	1.1
121.10157	1.4
123.11713	0.9
127.03958	1.1
131.04919	1.0
133.10159	0.7
136.06276	1.0
137.02324	0.6
137.06010	1.4
145.02881	1.3
145.06555	0.8
145.10184	1.1
146.64220	0.7
147.04451	1.2
147.11743	0.9
149.17519	0.5
149.33780	0.7
151.03879	0.6
151.07571	1.1
152.04874	0.6
155.08784	0.6
157.10072	0.9
161.05991	0.7
162.09132	0.9
163.03885	0.7
177.05475	4.2
179.07104	0.8
191.07088	0.9
192.04193	0.8
199.03874	0.8
207.06540	0.8
208.38403	0.7
220.03780	2.4
225.05615	1.1
227.03648	0.6
229.05069	0.8
230.15472	2.0
231.06497	0.7
239.03534	0.9
241.05013	1.1
243.06543	0.6
253.05060	0.6
255.02840	0.7
256.03488	0.8
256.07480	0.7
257.08191	0.8
259.06039	0.7
267.02927	0.7
269.04578	1.9
271.06085	10.0
282.05200	0.7
283.02530	1.0
285.07547	4.6
286.04626	0.9
287.05505	5.8
292.19006	3.6
293.19507	1.1
299.05453	7.6
300.06287	3.1
301.07162	2.0
313.07190	1.8
315.05072	13.8
315.08725	4.9
330.07257	5.2
345.09683	47.8
354.42331	0.7
408.07965	0.6
417.13260	1.6
420.13721	0.7
435.14426	5.5
461.12378	2.9
511.27441	0.7
521.14478	7.3
579.17792	0.7
597.19305	4.7
639.20477	31.8
640.21313	1.1
682.38348	3.9
683.19464	100.0
683.38501	4.3
684.19635	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	681.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01854	0.2
57.03431	0.9
57.12545	0.2
61.02921	1.0
68.99810	0.3
69.03078	0.2
69.03435	3.8
71.01337	0.2
71.04977	0.5
72.08143	0.2
73.02911	0.5
81.03416	1.7
83.01312	0.2
83.04988	0.3
84.08122	0.2
85.02910	10.0
87.04475	0.3
89.06026	0.2
91.05477	0.8
93.06966	0.2
95.05018	0.2
95.58782	0.2
97.02898	1.9
97.06544	0.3
99.04456	0.8
101.02374	0.4
103.03951	0.4
107.04967	0.3
109.02870	1.2
111.00792	0.2
115.05370	0.2
119.04945	0.5
121.02872	0.7
127.03912	2.0
137.02313	0.2
137.05986	0.6
145.02870	1.0
145.04910	0.9
146.65372	0.2
149.02357	2.1
153.01817	3.8
153.02975	0.3
159.02904	0.3
159.04411	0.7
167.04718	0.2
169.06500	0.6
173.06021	0.2
177.05447	0.2
181.04967	0.4
185.06010	0.3
187.03873	0.2
197.06041	0.5
206.13885	0.4
215.07043	3.8
219.01894	0.2
225.05423	0.4
229.05156	0.2
233.11707	0.3
239.07262	0.2
243.06564	2.1
253.04982	1.7
254.05707	0.4
255.06464	0.4
270.05139	0.2
271.06018	100.0
272.06335	1.4
283.06079	0.5
284.07022	0.2
294.04968	0.2
295.06097	1.2
299.05536	0.2
307.05984	0.8
313.07083	2.8
315.13297	0.4
321.07370	0.3
325.07001	0.6
337.07047	1.0
379.08133	0.3
397.09045	0.3
409.09174	0.2
433.11316	10.4
457.11044	0.2
513.10156	0.2
519.11224	1.0
681.15985	0.8
681.26337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01854	0.2
57.03431	0.9
57.12545	0.2
61.02921	1.0
68.99810	0.3
69.03078	0.2
69.03435	3.8
71.01337	0.2
71.04977	0.5
72.08143	0.2
73.02911	0.5
81.03416	1.7
83.01312	0.2
83.04988	0.3
84.08122	0.2
85.02910	10.0
87.04475	0.3
89.06026	0.2
91.05477	0.8
93.06966	0.2
95.05018	0.2
95.58782	0.2
97.02898	1.9
97.06544	0.3
99.04456	0.8
101.02374	0.4
103.03951	0.4
107.04967	0.3
109.02870	1.2
111.00792	0.2
115.05370	0.2
119.04945	0.5
121.02872	0.7
127.03912	2.0
137.02313	0.2
137.05986	0.6
145.02870	1.0
145.04910	0.9
146.65372	0.2
149.02357	2.1
153.01817	3.8
153.02975	0.3
159.02904	0.3
159.04411	0.7
167.04718	0.2
169.06500	0.6
173.06021	0.2
177.05447	0.2
181.04967	0.4
185.06010	0.3
187.03873	0.2
197.06041	0.5
206.13885	0.4
215.07043	3.8
219.01894	0.2
225.05423	0.4
229.05156	0.2
233.11707	0.3
239.07262	0.2
243.06564	2.1
253.04982	1.7
254.05707	0.4
255.06464	0.4
270.05139	0.2
271.06018	100.0
272.06335	1.4
283.06079	0.5
284.07022	0.2
294.04968	0.2
295.06097	1.2
299.05536	0.2
307.05984	0.8
313.07083	2.8
315.13297	0.4
321.07370	0.3
325.07001	0.6
337.07047	1.0
379.08133	0.3
397.09045	0.3
409.09174	0.2
433.11316	10.4
457.11044	0.2
513.10156	0.2
519.11224	1.0
681.15985	0.8
681.26337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79239	0.4
56.96567	0.3
70.95122	1.1
72.46419	0.4
77.28439	0.4
79.05492	0.4
81.07084	0.4
84.08126	0.5
85.02880	0.4
98.97548	0.4
117.77567	0.4
127.03896	0.7
176.84004	0.4
284.06897	1.2
299.09109	2.5
300.09805	0.6
311.05554	1.0
312.26941	0.4
313.07053	1.1
318.06516	1.7
321.07260	0.8
325.05490	0.9
325.55548	0.6
333.03766	1.2
341.10269	1.4
342.05994	1.3
348.06091	1.1
351.04733	4.7
357.08316	0.4
358.03708	0.7
360.06750	2.1
366.06790	2.0
374.09238	0.5
381.09436	100.0
382.10089	2.3
382.14124	0.4
384.06787	0.9
399.09262	2.6
422.11874	0.8
679.32544	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	679.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03154	0.2
54.99331	0.1
55.05495	0.2
57.68764	0.1
65.03939	0.8
67.05496	0.6
68.99808	0.2
69.03434	0.1
69.07068	0.2
69.60388	1.0
79.05488	0.4
81.07056	0.4
91.05499	0.8
95.04974	4.8
95.08598	0.2
105.07002	0.3
107.04964	0.2
107.08576	0.1
108.02119	1.0
109.10137	0.3
112.29339	0.2
119.04898	0.2
119.08548	0.3
121.06506	2.4
123.04428	0.9
125.05957	0.2
129.06993	0.2
133.02832	0.2
133.06482	0.4
135.04460	0.2
137.02332	0.3
139.07526	0.3
147.04448	0.4
147.08113	0.2
148.05177	0.2
149.05873	0.2
151.03909	100.0
152.04219	1.1
156.74828	0.1
158.07327	0.2
159.04477	0.2
161.02295	0.3
161.06012	1.4
161.09654	0.2
163.03885	0.2
167.07005	0.4
173.09634	0.2
175.07581	0.1
177.05518	0.9
179.07025	1.4
191.06970	0.8
191.10654	0.3
192.07790	1.1
193.08566	0.2
201.05606	0.2
203.07040	0.6
205.04994	0.3
213.09126	1.1
219.10172	1.7
229.08371	0.2
239.07098	0.7
241.08557	0.4
243.10191	0.5
257.08176	0.5
265.08511	0.2
267.10358	0.2
269.08289	0.8
269.10806	0.2
277.08517	0.2
279.10373	0.2
285.11227	4.1
321.11288	0.4
365.13770	0.3
393.13318	0.3
395.14944	5.7
403.19354	0.2
459.14380	0.5
461.15930	1.4
513.18915	0.8
679.25366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
55.01876	5.3
55.05511	40.2
57.03429	19.3
57.07062	6.4
58.65211	4.1
67.05507	100.0
69.07078	27.1
71.05000	14.3
71.58949	6.7
79.05499	91.4
81.03424	9.1
81.07064	89.7
83.04982	17.3
83.08629	17.2
85.06546	7.9
91.05485	70.0
93.07052	86.5
95.04979	20.0
95.08616	49.2
97.06542	13.2
97.10175	15.4
105.07030	52.3
107.05026	5.1
107.08601	63.4
109.06538	8.9
109.10148	51.0
111.08090	10.4
117.07039	17.8
119.08614	37.0
121.10160	39.4
123.08102	6.9
123.11703	7.2
125.09637	17.6
129.07024	10.5
131.08586	30.0
133.10135	26.3
135.11731	21.2
136.06169	9.3
139.11168	5.3
143.08554	8.8
145.10144	25.5
147.00668	4.6
147.08189	5.3
147.11681	20.6
149.09688	10.3
157.10182	4.4
159.11745	15.3
161.13268	13.4
163.11139	7.9
168.62270	4.6
171.11668	7.0
173.11765	9.1
173.13268	9.3
177.12692	5.8
181.12241	5.6
185.13271	9.0
189.11197	7.9
201.16380	5.0
203.07101	6.6
203.14288	5.8
213.14755	6.1
227.12856	6.8
229.14430	16.7
247.44046	6.0
257.19135	9.0
259.20624	15.0
275.20093	39.7
277.21729	6.9
293.21011	9.2
313.27325	5.8
333.24054	11.0
349.23447	6.0
351.25177	21.9
678.46844	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	678.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.7
55.05513	40.1
55.08210	4.4
57.03447	33.9
58.69440	4.5
59.51114	4.3
63.32290	4.1
65.03928	4.3
67.05175	5.5
67.05511	94.0
69.07077	32.4
69.07384	7.2
69.23244	46.4
71.04992	9.8
77.81373	5.4
79.05498	81.6
81.07061	92.5
83.04980	5.3
83.08608	18.8
85.06519	5.2
91.05489	100.0
93.07047	81.8
95.04969	14.5
95.08622	76.1
97.06516	9.7
97.10155	11.3
98.20986	23.0
99.08120	7.3
103.05440	5.9
105.07036	84.4
107.08598	62.6
109.06519	13.3
109.10165	20.5
111.08076	10.9
115.05458	5.1
117.07029	43.7
119.08575	59.1
121.06492	8.3
121.10173	37.4
123.08072	6.9
123.11676	5.5
125.09635	7.7
128.06194	8.7
129.07025	21.9
131.08582	50.6
133.10150	35.0
135.08072	8.1
135.11655	28.6
137.09567	5.0
143.08589	23.0
145.10130	45.3
147.08093	5.6
147.11707	26.8
149.09633	11.4
149.13272	10.7
151.11189	6.1
152.67702	4.7
155.08607	6.9
157.10155	18.3
159.11716	35.9
161.13229	18.6
163.11160	7.4
169.10109	12.4
171.11720	20.1
173.13295	18.6
175.11273	6.2
175.14867	7.2
183.11713	12.8
185.13243	34.2
187.11095	4.5
187.14841	9.6
195.11708	7.7
197.13206	7.9
199.14774	6.9
201.16425	5.7
203.07072	12.9
203.14320	11.2
205.15895	10.1
211.14699	5.3
227.12805	10.8
229.19525	4.7
239.17976	12.9
241.19661	7.2
257.19043	22.4
259.20554	14.6
275.20102	26.8
277.21545	17.4
329.04816	4.7
333.24359	8.1
349.23929	22.1
351.25198	27.4
365.13882	8.3
573.79395	4.9
625.44281	10.7
663.65631	5.2
678.29407	9.2
678.48090	15.9
683.07068	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15957	9.2
70.16337	7.4
89.69827	5.0
107.46912	4.7
147.26674	4.3
253.13432	4.9
286.04984	5.0
385.77896	5.6
419.18372	5.5
431.18390	7.9
433.24103	9.4
445.20132	10.5
447.17477	8.3
448.18912	7.7
459.22180	43.7
460.22650	6.9
474.76926	4.9
475.21191	35.2
476.22107	10.8
477.23035	6.5
503.20364	9.4
519.23529	7.6
531.24268	5.6
535.23456	9.8
547.26685	21.1
561.24756	18.6
563.26471	16.8
578.24548	10.1
589.24023	11.0
593.24103	21.1
595.24963	9.3
605.26263	6.8
606.28442	100.0
607.27271	9.3
621.27185	50.4
622.27972	96.3
623.28314	10.4
638.27209	30.3
645.29187	11.4
646.26489	8.5
678.28546	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71508	0.4
69.03417	0.7
69.07069	0.5
69.34225	3.5
81.03398	1.1
81.07062	0.7
84.32365	0.4
85.02875	1.2
87.00818	0.8
91.05514	0.8
93.07071	0.6
94.06550	0.6
95.07337	0.5
96.08126	0.8
97.02889	0.7
107.04959	0.7
107.08592	0.5
108.08096	0.7
109.02878	1.0
110.09667	1.2
120.08115	1.1
127.03936	0.7
130.08646	0.7
136.51508	0.5
137.02231	0.7
138.09164	1.2
138.50726	0.5
147.04372	1.0
149.02330	0.9
151.07553	1.1
153.05486	0.6
159.04279	0.5
166.08676	1.2
167.08842	0.9
175.03868	1.3
177.05458	0.6
178.06203	0.7
179.07040	2.1
191.07031	4.2
195.08084	0.6
203.07008	0.7
221.08080	0.8
223.07579	0.7
224.08435	0.6
229.08568	2.2
236.04608	1.0
237.05447	0.9
239.03438	1.0
239.07074	0.8
240.07759	0.9
242.05856	0.7
249.05644	0.5
251.07072	1.8
252.07803	1.7
253.05194	0.6
255.10255	1.4
257.08218	2.3
263.07175	0.8
264.04181	6.6
265.04929	1.6
267.06628	1.3
268.07321	1.0
275.03439	1.1
279.06570	19.7
280.07275	2.7
281.04559	0.7
281.07883	0.6
281.20203	0.5
283.09775	2.3
285.07672	1.4
286.07883	0.9
287.05447	0.7
292.11014	0.8
293.04422	6.3
293.07999	0.8
295.06412	0.8
295.09732	2.9
296.06906	1.3
297.07516	0.5
306.05389	0.5
307.06052	14.4
307.09421	0.5
308.06772	7.9
309.04077	1.1
309.07617	2.5
311.09158	25.0
312.09518	0.7
319.13132	1.1
320.10461	1.6
321.11353	0.5
323.05582	0.6
324.06253	1.5
325.07040	0.8
331.09680	0.5
335.12814	12.0
337.10938	0.6
339.08655	20.3
340.08810	0.6
349.10748	3.8
363.12283	8.8
364.13077	12.0
364.17682	0.8
365.10193	1.7
365.14264	0.8
367.15442	8.3
380.12592	2.2
389.40656	0.5
395.14932	100.0
396.15234	3.6
413.16077	1.7
446.16940	0.7
447.17413	0.8
475.18304	0.6
500.78555	0.5
557.20215	0.6
600.25092	1.8
643.20337	12.2
646.25635	1.5
678.28265	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
57.03432	0.7
58.72532	0.7
69.03409	1.3
70.53195	1.0
79.05505	1.7
79.73605	0.7
81.03409	1.2
85.02902	2.0
87.00807	0.6
95.07365	1.1
95.08601	1.0
95.98879	0.6
96.08140	1.2
97.06538	0.7
99.04469	0.6
105.07021	0.8
108.05764	0.8
108.08158	1.2
109.02885	0.8
109.04836	0.6
109.06496	1.4
110.09671	1.7
120.08127	0.8
121.06508	1.0
124.05226	1.2
127.03912	1.4
133.06494	0.7
135.04424	2.0
136.05165	0.9
136.07500	0.9
138.09123	2.3
139.07570	6.3
147.04420	1.6
148.05219	1.2
149.02344	2.1
149.05893	0.7
151.07559	6.0
153.14207	0.7
159.04405	5.0
161.02354	1.0
161.06020	1.7
162.06760	1.6
163.03896	2.0
165.05486	1.1
165.09087	0.7
166.08694	1.4
167.03476	1.1
167.07022	5.4
171.04416	3.8
173.06058	0.9
175.07480	0.8
177.05473	4.7
178.06229	4.2
179.07042	17.2
179.08534	1.3
181.04971	0.7
181.38467	0.6
185.06035	0.9
187.03877	1.6
189.09126	2.0
191.07050	8.5
192.07822	23.3
193.08589	2.4
195.08122	1.5
198.06711	1.0
203.07028	6.6
207.10194	0.7
213.09102	9.4
220.07323	0.7
221.08125	2.9
229.08565	1.2
231.10162	8.9
241.08682	2.2
259.09595	1.1
269.12827	1.3
338.07779	1.8
341.10400	0.8
346.15482	0.7
353.10303	3.2
367.15323	1.0
395.14917	8.2
413.15967	100.0
414.16357	2.0
417.16507	1.4
446.17337	0.9
447.17700	1.5
513.20636	0.8
537.24384	0.7
600.25116	1.5
628.24493	1.8
642.25677	0.9
646.25671	2.5
678.28461	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	677.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07741	0.3
54.46737	0.3
56.58327	0.3
70.09705	1.0
70.10114	0.5
81.07042	0.4
83.08619	0.3
91.05499	0.5
93.07028	0.4
98.21330	0.3
105.07023	0.6
108.81171	0.3
114.83383	0.3
123.77876	0.3
133.03529	0.5
173.03102	0.3
185.04279	0.7
191.85489	0.3
196.65231	0.3
259.08026	0.6
271.20816	0.3
297.83380	0.3
333.24802	0.5
346.63416	0.3
347.09491	1.1
515.31958	24.0
516.32556	0.4
677.37225	100.0
678.37653	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	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.05519	10.1
57.03433	8.8
57.07080	5.4
61.02926	15.8
65.03959	2.3
67.05508	81.8
69.03419	4.2
69.07072	14.9
70.39748	6.9
71.04984	3.8
73.02926	7.3
79.05505	47.1
81.07062	94.5
81.64086	2.2
82.07401	2.0
82.83813	2.0
83.04982	2.9
83.08637	7.6
85.02902	19.8
85.06540	3.7
91.03963	17.5
91.05486	26.6
93.07048	57.7
93.07963	2.5
95.04949	4.4
95.08611	72.6
96.32698	1.9
97.02911	8.4
97.06548	3.3
97.10162	4.5
99.08098	4.4
99.47787	2.0
105.07037	20.8
107.08606	37.4
109.09454	2.5
109.10172	35.5
111.08047	3.0
115.09205	2.1
117.07030	10.6
119.08593	17.3
121.10153	37.8
123.11713	19.3
127.03925	3.8
131.08568	20.0
133.10132	14.4
135.11702	30.4
137.13260	6.7
145.04994	7.3
145.10153	14.1
147.11681	15.7
149.09685	2.1
149.13278	23.3
151.11122	2.4
151.73480	2.0
159.11725	14.3
161.13274	12.3
163.05995	12.4
163.14833	12.2
173.13289	18.7
177.16452	6.4
179.14413	3.3
187.14841	10.7
191.14368	2.6
201.16414	3.0
213.98254	2.0
215.18040	2.2
233.22711	2.8
243.21111	30.7
261.22162	100.0
261.65414	2.0
262.22681	2.6
263.23923	2.2
279.23181	7.0
325.21198	2.0
335.25784	38.3
353.26874	34.0
354.27505	2.6
458.01840	2.1
497.31082	4.9
677.34192	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	677.282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55350	0.5
55.05506	0.6
62.47705	0.4
63.49946	0.4
67.05500	0.8
68.56464	0.4
69.07030	0.5
72.21678	0.5
76.28896	0.4
79.05478	1.6
81.03409	0.6
81.05804	0.5
81.07053	0.7
85.02913	0.6
89.03925	0.8
91.05465	1.3
93.07046	0.8
94.06547	2.4
95.04928	0.7
95.07340	1.3
95.08633	0.4
96.08138	2.9
97.02898	0.6
97.06499	1.8
98.21594	0.9
105.07019	0.6
107.07359	0.8
107.08548	0.7
108.04481	0.9
108.08118	6.9
110.06014	0.8
110.09677	5.1
116.04967	1.2
120.04456	0.7
120.08111	2.5
121.10110	0.5
122.06040	3.8
122.09662	1.0
124.07604	0.8
127.03917	0.7
131.08521	0.7
134.06021	1.0
135.04373	0.6
136.03917	0.5
136.07570	1.9
137.06058	0.5
138.09152	5.2
143.08466	0.5
144.04427	3.4
144.20915	0.6
146.05997	1.0
148.07599	1.0
149.07150	0.7
149.08311	1.2
150.05460	2.0
150.09167	3.9
152.07135	2.3
158.09630	1.4
160.03989	0.6
160.07585	1.8
162.05493	1.3
164.06999	1.1
166.08676	4.8
170.09637	0.8
172.03943	12.2
172.07553	1.2
175.08675	0.8
175.12326	0.9
177.05405	0.8
185.08319	0.7
186.09145	7.0
187.08662	2.0
188.09454	1.9
190.05005	2.9
196.07591	0.8
198.07739	0.9
200.10748	2.1
201.10226	1.3
202.11020	2.7
203.11775	7.4
204.06581	17.6
208.68642	0.6
210.09175	0.7
211.08713	0.7
212.09222	0.8
213.10274	2.5
214.08661	11.8
215.08206	5.0
216.08797	0.8
217.09720	1.3
217.13356	0.6
225.10316	1.2
227.11833	1.5
228.10231	3.4
229.09909	2.0
229.13286	0.6
230.10515	1.5
231.11337	6.6
235.08774	0.6
236.09387	0.7
237.10248	1.4
238.08752	0.6
238.10941	0.8
239.11780	1.4
241.09663	3.6
241.13390	0.9
242.08069	2.8
243.11331	1.1
245.09229	1.6
245.12898	1.3
246.09875	0.7
247.10791	1.9
249.10245	1.6
251.11815	2.2
253.09805	0.7
255.11343	5.4
256.09756	3.0
257.09171	1.1
257.12885	1.5
258.09796	0.7
259.10794	86.1
260.11084	1.1
267.11285	0.9
269.12872	2.0
270.05124	0.6
271.10736	1.6
273.12317	8.2
279.11447	0.6
281.12906	1.3
283.10855	3.9
285.07520	2.6
285.12488	1.0
287.10251	0.9
301.11847	64.6
302.12238	1.4
309.12372	3.9
314.16504	0.7
319.12897	100.0
320.13242	1.5
323.10248	1.2
327.13550	1.0
330.16068	0.6
337.13965	16.9
341.15067	1.9
344.14178	0.7
351.09509	0.8
356.13910	0.7
356.98425	0.6
358.15497	0.9
359.16199	0.6
364.13266	0.5
384.17160	0.8
386.15369	0.7
395.14767	2.2
400.16727	0.6
416.16064	2.3
428.16107	1.7
434.17017	2.9
439.64777	0.5
446.17206	5.1
456.15741	0.6
462.16870	0.7
474.16690	0.7
502.28772	0.5
504.17435	1.5
512.20343	1.6
520.20819	0.7
581.24030	1.4
599.24951	4.7
609.22882	1.2
617.26172	0.8
627.24146	3.2
631.26831	0.9
641.26166	2.7
645.25385	5.2
659.27185	8.6
677.27740	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
58.28592	2.6
61.32990	2.6
64.24073	3.1
66.24733	2.8
67.05509	4.4
69.03407	4.3
69.07063	3.4
70.99960	5.4
79.05485	8.4
80.05009	3.8
81.03394	3.3
81.05772	3.2
81.07064	3.9
82.06574	6.1
84.80299	2.8
85.02924	6.9
89.95634	2.6
91.05482	13.3
93.07038	27.8
94.06567	34.9
95.04961	3.9
95.07367	24.1
95.08630	4.6
96.08137	45.8
97.06516	4.0
102.05517	3.4
103.05479	6.2
105.07053	4.6
106.06532	3.7
107.08604	3.5
108.04478	11.6
108.08112	28.2
110.09686	79.4
120.04491	16.1
120.08118	61.9
121.06520	3.0
122.06029	9.0
123.06834	4.0
124.07604	6.5
127.03924	3.9
131.08623	3.8
133.10172	5.3
134.05954	4.3
136.07576	20.0
137.05988	4.3
138.09149	86.5
139.07549	3.2
145.02780	4.9
148.07617	16.8
152.07098	4.8
161.05910	3.2
162.05467	3.8
164.07088	5.5
166.08661	90.7
167.07085	3.1
172.03911	8.8
177.05536	7.4
179.07039	6.6
190.05020	4.2
192.07813	6.1
199.08646	3.5
204.06609	18.9
211.08730	5.7
213.10246	4.2
223.08603	7.3
225.06740	4.0
225.10226	7.6
227.11797	4.9
235.08691	6.3
236.09488	8.0
237.08014	4.1
237.10181	17.0
238.10953	4.8
239.11752	7.4
243.11319	5.8
248.09576	4.7
249.10402	20.8
250.11095	10.2
250.13475	3.7
251.09045	4.1
251.11835	33.7
252.12466	6.1
253.09708	7.4
253.13348	6.4
255.11484	4.5
259.10886	3.8
261.10217	3.6
263.11761	10.8
264.08987	3.6
265.09753	7.2
265.13199	6.5
266.10318	4.4
267.11365	4.9
269.12857	37.3
273.12503	5.6
275.11896	4.2
277.09644	3.6
279.11310	7.3
281.09494	4.1
283.10742	8.1
285.07431	6.8
285.12405	10.8
295.10806	5.9
296.11624	4.0
297.12338	13.1
298.13101	3.8
299.14063	7.6
300.11548	2.9
300.15234	5.0
301.11719	6.0
302.12762	6.1
303.13660	6.4
304.14450	4.5
309.12192	7.2
311.10373	5.4
311.13928	10.2
314.12958	6.3
314.16476	12.1
316.14374	5.7
323.10330	4.1
325.11771	10.5
326.12961	5.5
326.16708	3.8
327.13608	6.1
328.14377	4.1
329.11649	5.2
330.12299	8.2
330.16013	6.5
332.13779	4.5
340.14529	4.6
342.16034	6.1
343.13190	4.7
344.13928	11.7
345.14874	8.4
346.15509	5.8
356.13959	9.8
357.14648	11.6
358.15436	10.0
359.16425	6.5
361.14365	4.0
365.19070	3.7
369.14441	4.0
370.15549	6.3
371.16333	6.8
372.17224	6.1
373.14102	4.3
374.14630	6.3
382.15262	6.9
384.17102	8.4
386.14841	18.3
387.15549	11.6
388.16550	12.5
390.14206	3.9
400.16934	16.0
402.17935	11.5
406.17538	6.6
410.14615	4.5
412.15982	3.8
413.15970	31.6
414.14526	6.7
415.15094	9.3
416.16153	36.6
418.17569	11.2
428.16147	16.0
429.29684	4.0
430.17896	4.8
434.17181	56.2
436.18512	5.3
446.17163	100.0
446.62534	3.2
448.18692	7.1
452.18033	13.4
456.15298	6.6
462.16116	19.9
464.17990	13.5
474.16354	20.1
480.17758	15.4
488.17767	4.2
494.19135	13.4
506.19385	20.6
512.20300	39.7
524.20441	16.9
528.20691	3.3
532.35217	3.8
553.24127	6.3
571.25354	5.0
581.24060	25.2
583.24939	6.2
585.22559	5.2
599.25018	86.6
600.26141	3.6
609.23029	12.4
617.25970	20.7
627.24432	61.0
641.26190	15.4
645.25586	90.1
659.26813	20.7
664.65656	3.7
677.28003	78.6
677.38489	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
54.42996	0.6
56.75409	0.8
65.03951	1.4
70.10788	3.0
73.53688	0.7
79.05493	2.1
80.05012	2.1
81.05795	0.6
81.07043	0.7
82.06567	2.1
89.03915	1.5
89.46064	0.8
91.05483	2.0
93.05806	1.3
93.07059	3.8
94.06570	9.2
95.07351	4.7
95.08632	0.7
96.08138	12.2
104.04980	0.7
106.06580	2.2
107.07346	1.2
108.04482	3.4
108.08118	13.8
110.06055	0.9
110.09686	15.1
116.04993	4.6
120.04484	3.2
120.08115	13.1
121.06483	0.7
122.06046	6.7
124.07603	12.6
132.04456	1.4
134.06044	2.5
136.07587	13.4
138.05499	1.0
138.09142	17.6
144.04466	6.7
146.06020	7.7
148.07573	5.9
152.07036	3.5
158.05893	0.9
160.03949	3.9
160.07576	1.4
162.05490	4.2
164.07076	3.5
166.08644	18.7
172.03937	24.8
172.05414	1.3
174.05557	2.7
176.07071	6.4
177.05502	1.2
179.55679	0.7
185.10789	1.4
188.07228	1.2
190.05000	29.4
195.09296	0.8
196.09967	0.7
197.10789	2.1
198.09264	1.1
198.11351	0.8
199.08693	2.1
204.06564	44.2
210.11606	1.4
211.08717	1.7
211.12392	1.2
212.09410	2.0
213.10222	6.4
214.11105	1.3
215.11845	3.1
221.10889	0.9
223.08702	2.1
223.12215	1.2
224.09375	1.7
225.10243	4.8
226.08731	1.9
226.10962	1.0
227.08308	1.1
227.11827	3.8
229.09773	0.8
229.13371	1.0
236.09515	2.6
237.10173	3.5
238.11090	2.7
239.08203	1.4
239.11871	2.4
241.09726	4.1
243.11301	19.1
243.13602	1.2
245.12837	1.1
249.10336	3.0
251.08224	1.8
251.11816	2.6
252.09337	1.1
253.09784	2.6
253.13277	0.9
255.11333	3.1
256.12033	1.5
257.09335	1.0
257.12921	2.2
263.08234	1.8
263.11954	1.0
264.09073	2.2
265.09763	4.4
266.10504	1.2
267.07941	1.0
267.11395	2.5
269.09338	4.8
269.12796	1.3
270.09985	1.3
271.10693	3.5
273.12323	6.7
277.09814	3.1
278.10672	0.9
279.11292	5.2
280.00714	0.8
281.09335	1.6
283.10760	7.0
284.11664	1.4
285.12332	31.2
286.12836	0.8
287.10153	8.8
290.12952	1.2
291.11276	0.9
294.10489	1.2
295.10757	1.2
297.12357	11.6
299.10526	2.0
299.14053	4.3
300.11316	1.5
300.14941	0.9
301.11871	4.0
302.12976	2.8
303.13434	27.5
304.14514	1.5
304.65756	0.7
307.10907	2.0
311.10419	1.4
311.13962	1.0
312.15314	0.8
313.12048	3.0
314.16718	1.0
315.10422	1.1
315.13812	1.3
316.10962	2.0
316.14536	1.7
317.15582	1.3
318.16174	1.7
323.10233	7.4
323.13593	0.9
325.11838	42.3
326.12674	2.7
326.16486	1.1
327.13782	4.3
328.11020	1.4
328.14517	1.2
329.11566	2.4
329.15311	1.4
330.12430	3.4
330.16064	1.7
332.14017	1.4
334.15680	1.3
339.13712	1.1
340.14432	1.8
342.12610	1.9
342.16278	1.3
343.13181	4.3
343.16736	0.8
344.13846	4.8
345.14743	1.7
346.15494	3.1
347.16479	1.3
354.12405	2.2
354.16257	1.4
355.13199	1.2
356.13968	2.8
357.14584	12.0
358.11890	1.2
358.15591	5.7
359.12955	1.1
359.16791	0.9
360.13504	1.2
361.14346	1.4
368.13980	2.2
370.11844	3.0
370.15912	1.7
371.12598	3.4
372.13342	4.0
373.14270	2.1
374.14951	3.6
376.16660	1.6
381.10748	1.7
382.15701	2.3
383.12781	1.5
384.13147	1.0
384.17426	1.1
385.14374	3.3
386.14954	11.6
387.16061	4.5
388.12796	1.4
388.17142	1.5
392.16196	1.7
394.17477	1.3
396.13550	2.1
400.16617	2.3
401.13730	1.9
402.13931	4.2
402.18924	1.1
404.16199	7.5
406.17618	4.2
410.15002	1.7
412.16611	1.5
413.14264	1.3
414.14532	16.2
415.15308	22.7
416.15976	3.7
418.17737	4.0
420.15463	5.6
426.14890	1.1
428.16339	4.4
430.17889	3.0
432.15488	17.0
438.15341	2.9
444.15289	3.5
446.17062	3.6
456.15518	10.9
462.16592	18.3
464.18283	1.7
474.16641	44.0
475.17133	1.4
476.18164	2.6
488.18091	1.7
494.19354	1.6
506.19205	8.8
541.25702	0.9
567.22437	1.2
568.23303	0.9
581.24133	3.0
583.25494	4.0
585.23639	8.1
591.22943	0.9
599.25232	4.1
609.23602	11.2
627.24530	100.0
628.25037	4.7
641.26575	2.0
659.26904	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17567	1.2
69.26241	13.6
89.03940	1.3
91.05499	1.8
93.07044	2.6
94.06561	5.9
95.07325	2.7
96.08134	5.2
97.06571	1.5
106.06573	2.1
108.04490	1.5
108.08143	7.5
110.09674	10.0
116.04996	5.1
120.04425	2.8
120.08128	8.5
122.06055	3.7
124.07598	3.0
134.05986	4.3
136.07568	8.4
138.09151	9.2
144.04480	8.7
146.06009	4.1
148.07645	2.8
156.71524	1.5
160.03970	3.0
162.05489	5.5
164.07091	2.6
166.08621	12.1
172.03966	43.5
174.05511	2.2
176.07059	4.7
190.04996	11.9
197.10655	1.4
198.07541	1.5
204.06583	100.0
212.09297	1.4
213.10240	3.7
215.11852	2.6
224.09464	1.9
225.10266	2.9
227.11751	2.0
236.09396	1.9
237.10207	3.6
239.11905	2.6
241.09729	1.7
243.11296	11.4
249.10248	2.0
253.09766	1.8
255.11357	2.3
263.08426	1.6
264.08905	2.9
265.09622	2.9
267.11450	2.0
269.09210	2.6
273.12302	5.5
277.09781	3.3
279.11298	3.8
280.18985	1.3
283.10733	4.4
285.12320	9.7
287.10242	4.7
297.12317	2.7
299.13925	3.7
301.11874	3.2
302.12854	2.7
303.13455	27.7
323.10153	4.0
325.11884	9.2
327.13409	3.3
329.11264	2.3
329.14801	2.4
330.12427	2.3
330.16214	1.8
331.13025	1.4
337.11859	1.7
344.13828	1.8
346.15561	2.7
357.14511	27.2
358.15427	4.2
368.13791	1.6
371.12543	1.7
372.13419	1.7
374.14911	1.7
386.15021	9.8
387.15512	4.7
396.13629	1.5
404.16006	4.3
405.15845	1.6
414.14499	7.8
415.15240	13.7
416.15839	2.0
418.17825	2.7
420.15399	2.9
428.16119	1.6
430.17572	3.6
432.15637	13.7
446.16974	2.3
456.15363	6.2
462.16522	13.8
464.18335	2.2
474.16678	32.6
506.19348	14.1
520.20740	2.0
583.25183	2.6
585.23169	4.6
599.24310	2.4
609.23218	7.0
627.24573	74.0
641.26044	2.9
659.26190	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	677.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.4
69.18019	1.1
69.31612	3.7
69.32032	5.7
79.05494	2.0
80.05026	1.2
82.06620	1.2
86.79836	0.9
89.03889	2.0
91.05478	2.1
93.07036	3.5
94.06590	5.3
95.05000	1.5
95.07336	4.2
96.08141	9.2
98.21485	2.4
100.28054	0.9
106.06544	1.9
108.04496	2.8
108.08122	13.0
110.09679	12.9
116.05013	2.6
118.06548	1.9
120.04482	3.2
120.08115	12.7
122.06049	6.9
123.06786	1.1
124.07585	8.1
134.05998	3.4
135.54694	1.0
136.07588	8.5
138.05421	1.1
138.09155	13.0
144.04431	5.8
146.06020	6.0
148.07559	4.4
151.44815	1.0
152.07083	2.8
160.03949	3.4
160.07616	1.9
162.05492	3.2
164.07016	3.1
166.08636	15.9
172.03934	22.1
174.05496	2.7
176.07048	4.8
177.05441	1.3
184.09872	1.1
185.06961	1.1
190.05005	18.0
197.10674	1.4
199.08627	2.2
201.05330	1.0
201.10287	1.3
204.06572	41.1
212.09512	3.1
213.10100	5.4
214.11043	1.1
215.11827	2.7
223.08755	1.4
224.09421	2.5
225.10219	3.3
227.11852	2.1
235.08673	1.4
236.09425	2.3
237.10286	3.4
238.10944	2.0
239.11784	2.4
241.09711	4.6
243.11307	14.6
249.10234	3.4
250.11142	1.4
251.11797	3.1
253.09825	3.5
255.11281	3.6
256.12024	1.7
259.10690	1.3
263.08154	1.2
263.11813	1.5
264.09009	3.5
265.09732	4.7
267.11288	2.3
269.09186	2.8
271.10782	3.3
273.12338	6.4
277.09848	1.3
279.11310	5.2
281.09250	1.5
281.12842	1.2
283.10788	6.4
285.12378	25.0
287.10287	5.8
291.11081	1.3
293.09189	1.5
295.10770	1.3
297.12384	9.8
299.10522	2.1
299.13922	6.6
301.11819	3.6
302.12857	2.5
303.13409	27.4
307.10770	1.8
309.12360	2.1
311.10199	1.2
313.12076	2.1
315.13870	1.3
316.10980	1.3
316.14435	1.7
318.16116	1.5
323.10410	6.1
323.13785	1.4
325.11874	38.4
327.13443	4.8
328.10925	1.7
328.14490	1.2
329.11435	3.1
330.12485	3.2
332.14001	1.5
337.11896	1.9
339.13583	1.4
340.14288	1.7
341.11737	1.6
343.13043	5.8
343.16718	1.1
344.13907	4.2
345.14624	1.5
346.15601	2.2
354.12195	1.6
355.12930	1.8
356.14136	1.1
357.14560	12.9
358.11609	1.4
358.15677	6.4
368.13977	2.9
370.11719	2.7
371.12708	2.9
372.13339	4.2
373.14111	3.0
374.15005	3.2
381.10742	1.7
382.15634	2.0
385.14297	2.2
386.14987	10.6
387.15891	1.5
392.15768	2.4
394.17438	1.3
396.13467	1.7
398.15042	1.3
400.16818	1.2
402.14453	3.5
404.16193	5.7
406.17590	2.2
410.14969	1.7
414.14548	15.4
415.15271	18.8
416.15942	3.6
417.16827	1.5
418.17816	2.5
420.15469	3.5
428.16132	4.8
430.17493	3.6
432.15585	13.3
433.15741	1.5
434.17188	1.5
438.15607	2.5
444.15497	4.2
446.17044	3.7
456.15558	9.0
462.16638	16.3
464.17941	2.2
474.16666	46.2
476.18127	3.0
488.17633	1.7
494.19223	2.2
506.19318	8.4
520.20764	2.0
581.23822	2.7
583.25336	3.1
585.23560	5.7
599.24829	4.0
609.23505	13.4
627.24518	100.0
628.24945	5.2
641.25641	2.0
659.26678	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87656	0.8
53.03928	1.2
59.99263	0.7
61.13668	0.8
67.05497	1.0
70.06628	1.3
79.05489	1.8
80.05016	1.2
82.06541	1.0
89.03898	1.7
91.05485	2.3
93.07025	2.5
94.06583	5.8
95.04954	1.2
95.07352	2.5
95.08517	1.0
96.08138	7.1
104.22344	0.9
106.06582	1.3
108.04470	2.6
108.08116	9.0
109.02873	1.2
110.09699	8.7
116.05008	4.8
118.06510	1.9
120.04482	3.1
120.08099	7.8
122.06044	5.5
124.07588	4.2
127.03918	1.4
134.06013	2.8
135.06410	0.9
136.07591	8.3
138.05566	1.0
138.09135	12.3
144.04456	10.6
146.06021	3.4
148.07600	4.5
152.07074	1.9
160.03934	2.7
162.05519	5.5
164.07065	2.6
166.08647	15.4
170.09561	1.4
172.03935	50.5
174.05470	3.1
176.07092	4.4
190.05011	9.7
198.11206	0.9
199.08690	1.7
204.06567	100.0
205.06841	1.8
211.08658	2.2
211.12444	1.3
212.09303	1.5
213.10159	4.7
214.11128	1.0
215.11734	2.5
224.09433	1.2
225.10251	4.0
226.08624	1.8
227.08237	1.6
227.11832	1.6
231.63704	1.0
237.10233	3.2
238.10979	1.9
239.08090	1.1
239.11728	1.4
241.09770	2.8
243.11287	9.6
245.12852	1.5
249.10201	2.3
251.08041	1.6
251.11742	1.6
253.09697	2.6
255.11235	1.6
257.09311	1.1
263.11707	2.0
264.08875	2.1
265.09756	2.2
267.11209	2.7
269.09229	3.7
271.10815	2.4
273.12280	4.1
275.13849	1.0
277.09793	1.7
278.10449	1.2
279.11255	2.9
281.09134	1.2
283.10693	3.5
285.12320	11.9
287.10181	5.9
291.11130	1.1
295.10703	2.4
297.12302	6.6
299.10739	1.1
299.14023	2.6
301.11890	1.6
302.12701	2.2
303.13425	25.1
307.10617	1.6
309.12048	1.4
313.11990	6.8
315.13480	1.5
316.10751	1.0
316.14410	1.4
317.15073	1.0
323.10254	4.9
325.11868	10.0
326.12750	1.1
327.13571	3.3
328.10843	1.2
329.11374	2.1
329.15002	1.7
330.12451	2.5
331.13113	2.1
337.12006	1.4
339.13370	1.5
341.11411	1.6
342.12296	1.8
343.13248	2.1
344.13977	2.0
345.14633	1.6
346.15411	1.6
347.16376	1.7
356.14307	1.4
357.14508	20.0
358.15509	5.2
359.12793	1.6
370.11856	1.6
371.12671	2.6
372.13391	3.4
373.14001	11.9
374.14764	2.2
378.18347	1.3
385.14441	3.5
386.15109	8.4
387.15582	3.2
388.12561	1.1
392.15942	1.4
402.14246	2.9
403.15262	1.2
404.15921	5.2
406.17554	1.9
414.14633	9.3
415.15247	17.2
416.15793	2.4
418.17654	2.1
420.15390	3.5
428.15955	1.3
430.17569	2.6
432.15659	12.7
438.15866	1.1
444.15256	2.0
446.17093	2.6
456.15576	4.3
462.16583	11.3
474.10297	1.6
474.16663	30.9
476.17731	1.6
488.18005	1.1
494.18985	2.2
506.19269	11.5
520.20685	2.9
522.22089	2.0
581.24438	2.3
583.25208	2.0
585.23511	5.5
599.24756	2.9
609.23517	6.8
627.24554	65.7
628.24487	2.4
641.25494	2.0
659.26990	5.7
677.27191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01867	1.2
57.03425	0.7
58.81446	0.5
60.08266	0.5
61.02926	1.1
67.05512	1.3
68.99801	0.7
69.03432	5.0
69.07059	0.9
69.70785	3.8
71.04983	0.8
73.02899	1.1
79.05496	0.9
81.03412	4.8
81.07054	1.1
83.34306	0.6
85.02429	0.7
85.02908	8.3
87.00840	3.8
91.05476	1.8
93.07042	1.8
95.04961	1.0
95.08601	1.3
97.02914	4.0
99.04455	0.8
105.01859	2.3
105.03371	0.7
105.07034	0.9
107.04953	2.5
107.08589	1.1
108.05743	1.5
108.08099	1.1
109.02890	3.7
109.06526	1.2
109.10152	1.0
117.01890	0.6
119.04934	0.6
119.08598	1.1
120.08133	0.9
121.06532	3.4
123.08018	0.8
124.05195	0.6
127.03902	5.5
129.01868	0.9
131.08578	0.7
133.02858	1.0
133.10120	1.0
135.04385	1.4
136.05217	7.2
136.07552	0.8
137.02324	0.6
137.06010	0.6
138.09180	1.2
139.07581	3.7
145.04977	1.9
145.10135	0.7
147.04399	1.5
148.04077	0.9
148.05194	5.5
149.06009	0.9
150.09079	0.7
151.03893	1.3
151.07550	40.9
155.07022	0.8
156.86497	0.6
157.10097	0.7
159.02913	1.9
161.05942	0.7
162.06854	0.8
163.03903	1.1
163.07516	1.1
164.04613	1.0
165.01875	1.0
165.05437	0.6
165.09119	1.4
166.08591	0.8
167.07051	2.1
175.03944	2.2
177.05478	4.6
178.06334	1.2
179.07042	100.0
180.07404	0.7
187.03954	0.9
191.07042	8.3
192.07819	13.9
193.08594	1.1
193.12296	0.6
203.03394	2.0
204.06602	0.7
205.08549	1.2
214.06190	0.9
219.06554	2.4
222.55867	0.5
229.08603	3.2
231.04988	0.8
233.08163	0.6
237.07570	1.7
239.11833	0.6
247.09706	3.2
257.08078	1.2
275.09225	1.5
285.07462	1.6
325.11545	0.7
339.08481	0.9
354.86584	0.6
363.08679	0.8
365.13742	0.6
393.13348	3.7
411.14420	14.5
423.14417	0.7
429.15491	62.7
430.15765	1.3
453.15488	6.1
471.16608	1.8
477.15350	0.8
495.16592	4.5
519.16473	3.3
520.20898	0.7
524.20239	0.9
537.17584	5.2
623.17743	1.2
627.24457	1.1
677.28650	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	676.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.05510	3.3
57.03419	2.1
57.04592	1.4
58.18055	1.4
60.68605	1.3
61.02919	7.3
62.73505	1.4
67.05496	7.6
69.03425	3.2
69.07056	2.9
70.06583	4.7
71.24086	1.3
71.35379	2.2
71.66940	1.3
73.02912	3.0
73.35393	1.4
73.67274	1.3
75.68442	1.5
79.05497	8.3
79.82257	1.2
81.03421	70.4
81.07050	5.8
83.05024	3.1
83.08623	17.9
84.08107	1.4
85.02911	9.2
86.06092	1.5
90.43967	1.5
91.03963	6.1
91.05477	9.5
93.07038	4.8
93.99748	1.4
95.04968	23.9
95.08617	1.7
97.02908	6.4
97.10206	1.5
103.04009	1.7
105.07020	6.0
107.04958	5.9
107.08615	2.6
111.04453	2.8
111.08092	8.3
112.07578	2.0
117.06986	1.6
119.08590	7.2
121.06496	2.3
121.10155	3.2
123.04456	2.6
127.03916	2.8
128.10712	1.5
129.06992	5.6
131.08594	6.9
133.06514	3.5
133.10132	2.7
135.08099	1.8
137.06006	1.8
142.07698	1.9
145.05013	2.6
147.04454	1.7
147.08011	1.9
147.11671	6.7
149.09627	2.0
157.10120	8.2
163.06017	6.2
163.11211	2.0
165.12764	2.0
175.11160	9.4
193.12253	60.3
211.13292	6.5
235.13190	2.4
259.13351	2.0
267.15930	28.7
273.14868	1.8
285.16977	100.0
286.17447	1.8
301.14340	1.4
309.17004	14.9
327.18060	3.1
351.18036	3.9
363.18066	6.6
375.18527	1.6
393.19055	2.9
411.19879	3.7
429.21085	1.9
516.16675	1.4
594.78003	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41510	0.2
53.03952	0.2
53.24889	0.2
53.57436	0.2
54.04130	0.2
55.05523	1.1
56.05043	2.9
57.07085	0.3
67.05514	1.6
69.03436	0.6
69.05798	0.2
69.07078	0.7
70.06607	0.2
71.05007	0.5
71.57504	0.3
73.02953	0.3
79.05497	0.5
81.03424	0.9
81.07061	0.9
82.06583	0.4
83.08623	0.5
84.08151	100.0
85.02899	1.2
85.08475	0.4
87.00836	0.4
91.05475	0.4
93.07038	0.6
94.06595	0.2
95.04974	0.5
95.08622	0.9
96.08093	0.2
97.02921	0.5
98.09683	0.2
99.04458	0.3
102.09212	0.4
105.01879	0.2
105.07038	0.3
107.08613	0.3
109.02877	0.5
109.10179	0.2
110.06045	0.2
111.08089	0.2
112.07622	0.5
119.08633	0.3
121.10135	0.3
127.03932	0.8
128.07089	1.4
129.07112	0.2
129.10251	1.8
130.08659	9.2
136.07625	0.2
138.09125	0.2
143.08578	0.2
145.10146	0.2
147.11301	3.2
148.44179	0.2
165.09181	0.2
166.08699	0.4
176.10745	0.6
177.05495	0.3
184.33469	0.2
227.85849	0.2
229.30785	0.2
256.64102	0.2
271.56339	0.2
277.09824	0.3
284.06827	0.4
297.12463	0.2
299.09198	0.8
318.06381	0.2
318.56717	0.3
319.06891	0.3
327.13391	0.3
364.32138	3.9
375.60138	0.3
376.10165	0.2
377.09970	0.6
381.08994	0.2
398.14725	0.2
427.35355	49.4
428.35730	1.4
451.35443	0.5
469.36331	0.6
472.14755	0.3
473.37531	0.8
517.36554	0.9
550.22632	0.3
552.23077	0.5
553.23126	0.7
621.37433	0.8
675.41406	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	675.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	17.7
55.01869	8.5
55.05519	26.5
56.96606	3.7
57.03441	41.9
61.02932	44.4
67.05508	70.8
69.03431	42.2
69.07069	28.9
69.36225	32.6
71.01360	5.7
71.05000	27.0
73.02920	20.8
73.24780	3.3
79.05495	73.7
81.03423	40.9
81.07061	100.0
82.92131	4.3
83.04986	12.4
83.08632	20.6
85.02912	69.6
85.06544	6.4
89.66422	3.5
91.03966	18.3
91.04955	6.1
91.05485	71.0
93.04252	3.6
93.07054	97.6
95.04958	11.2
95.08607	73.9
97.02905	72.2
97.06543	13.7
97.10193	4.7
99.04469	17.5
99.08112	10.2
101.02399	13.2
103.03946	12.8
105.07041	60.1
107.04990	9.0
107.07947	6.0
107.08601	64.9
109.02910	22.6
109.06502	13.0
109.10158	30.1
111.04449	9.2
111.08099	6.8
115.98521	3.6
117.07018	25.6
117.90730	3.7
119.08584	52.9
121.06487	5.2
121.10161	54.8
123.08082	13.3
123.11698	9.1
125.09610	5.2
127.03925	34.9
129.05507	12.2
129.07010	10.9
131.08571	35.6
133.10152	39.2
135.08046	6.8
135.11702	41.8
137.09631	6.6
141.07047	5.2
143.08554	11.4
145.04982	11.6
145.10126	31.4
147.11703	31.6
149.09575	5.7
149.13286	23.1
151.03810	4.6
157.10135	15.2
159.11739	25.8
161.06015	8.9
161.13272	14.4
163.14885	6.3
165.09157	3.8
165.12785	5.2
167.19255	3.7
171.11671	9.3
173.09549	4.5
173.13226	20.4
175.11171	4.3
175.14850	10.6
183.06660	10.2
185.13319	15.3
187.14864	17.4
189.16364	5.9
192.07817	4.9
192.59698	4.2
197.13295	4.1
199.14977	4.2
201.07587	8.1
205.15930	4.7
207.17435	4.3
231.21233	4.1
241.19547	15.9
247.17044	5.4
255.06454	5.0
259.20587	37.8
272.95883	4.1
275.20013	6.0
277.21640	76.9
291.43985	4.3
333.24423	8.2
343.11810	11.3
351.25299	94.2
369.26263	5.4
375.25305	4.1
385.23831	4.8
393.26620	5.7
459.27185	7.6
476.84241	3.9
477.28403	10.5
495.29437	14.2
513.30396	10.4
600.25958	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	675.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79716	0.6
52.85525	0.6
53.03944	0.5
55.05515	0.6
59.87389	0.5
67.05505	1.2
69.03423	1.0
71.28550	0.5
71.56319	0.8
79.05505	1.4
81.03400	1.0
81.07056	1.7
85.02921	0.5
87.99174	0.6
91.05487	1.1
93.07044	1.9
94.06583	1.3
95.07343	1.2
95.08633	0.7
96.08125	2.9
97.02924	1.0
103.05421	0.7
105.07033	1.4
107.08617	0.8
108.08100	3.1
109.06503	0.7
109.10169	0.8
110.09676	3.7
119.08560	0.8
120.04485	1.8
120.08114	4.3
122.06041	1.2
122.09708	0.8
123.08039	0.6
124.07629	0.9
133.10085	1.0
134.06161	0.6
135.08031	0.6
136.07588	4.2
137.06042	1.0
138.09143	7.0
145.02843	0.6
145.10149	0.8
146.06079	0.7
148.07585	1.7
151.07445	0.6
152.07094	1.7
162.05507	1.2
164.07114	0.8
166.08647	7.6
168.88739	0.6
172.03906	2.9
177.05513	1.3
190.05128	1.3
192.10269	0.6
197.10718	1.0
204.06557	5.9
212.09384	0.7
225.10274	2.3
227.11850	1.6
235.08638	0.7
236.09325	1.0
237.10252	3.9
238.11055	0.9
239.08267	1.2
239.11784	1.6
241.09810	1.1
248.09451	0.7
249.10258	3.1
250.10901	1.3
251.08232	1.4
251.11884	3.0
252.12396	0.8
253.09793	3.3
253.13257	0.6
255.11414	0.9
263.11877	1.9
264.09189	0.6
265.09726	5.0
266.10498	1.4
267.11304	2.5
268.12076	0.8
269.09341	0.9
269.12924	0.8
271.10855	1.6
277.09814	2.3
278.10529	1.9
279.07715	2.3
279.11313	5.1
280.12048	1.7
281.09045	0.8
281.13110	1.8
283.10721	4.4
285.12411	1.4
287.05591	2.2
287.13852	3.2
288.05814	1.2
289.09720	2.0
291.11328	1.5
293.09402	1.4
293.12805	1.9
294.09988	2.8
295.10770	1.9
296.11603	1.4
297.12393	1.9
299.10321	1.2
299.14185	0.6
306.09750	0.7
307.10815	1.8
309.12323	2.0
311.10263	4.5
311.13574	1.3
312.10992	1.4
313.11890	1.5
314.12726	0.9
324.11093	1.8
325.11987	1.5
326.12659	2.4
327.13339	6.1
335.10287	3.6
339.13391	25.1
340.10486	1.4
340.14243	1.1
342.12415	0.8
343.13159	1.0
354.12198	1.9
355.12949	6.8
356.13965	1.0
357.14548	1.9
367.12872	11.5
371.12378	1.8
383.12567	0.9
384.13443	0.8
386.14896	1.6
387.15686	2.3
398.15002	1.2
399.15738	4.4
416.15933	1.5
427.14111	1.2
446.16824	0.7
454.14633	0.8
458.17245	0.8
460.19000	1.0
472.15170	2.9
478.20013	0.6
479.20502	1.7
487.45215	0.8
488.17999	1.4
492.21112	2.0
520.21039	7.6
552.23425	100.0
553.23822	3.0
569.23578	0.7
593.23615	0.7
607.21246	1.8
611.25031	4.3
625.22461	1.7
639.24359	1.6
643.27014	1.0
657.25250	2.5
675.36786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37786	0.4
65.93188	0.4
69.68497	1.8
69.68905	0.8
71.04947	0.5
79.05499	0.5
81.03481	0.5
91.05470	0.5
93.07040	1.9
94.06560	1.8
95.07377	1.3
96.08141	3.0
98.21467	0.9
103.05488	0.5
108.08125	3.3
110.09694	4.9
115.55743	0.4
120.04471	2.0
120.08131	3.4
122.06044	1.1
124.07591	1.3
131.73808	0.4
136.07599	3.2
138.09145	8.2
146.06091	1.1
148.07562	1.4
150.05606	0.5
150.09175	0.9
151.10036	0.5
152.07138	1.0
152.10619	0.6
164.07132	0.6
166.08655	8.3
172.03963	1.0
180.10197	0.7
182.11812	0.8
184.10002	0.5
190.05043	0.8
194.08147	1.1
196.09810	0.7
197.10779	0.6
204.06566	2.4
209.10725	0.7
210.11613	0.4
211.12329	0.5
212.09402	0.7
213.10266	0.7
223.08730	1.1
223.12436	1.0
224.09430	0.7
225.10252	2.6
226.11111	0.5
227.11807	1.2
233.10716	0.7
235.08786	0.8
235.12242	0.7
236.09366	0.6
237.10249	4.9
238.11119	0.9
239.08138	1.2
239.11769	2.9
241.10052	0.8
241.13399	0.5
248.09409	0.8
249.10255	4.7
250.11069	2.0
251.08211	2.2
251.11804	4.4
252.12579	1.1
253.09732	4.2
261.10226	2.4
262.11063	0.7
263.11789	2.2
264.09061	0.5
265.09781	6.9
265.12964	0.9
266.10599	1.5
267.11316	5.4
269.09128	0.8
269.12869	1.2
271.10764	2.6
273.12442	0.7
277.09790	2.1
278.10648	2.6
279.07745	3.3
279.11316	7.0
280.12061	2.1
281.09305	1.9
281.12836	2.0
283.10791	5.3
285.12332	1.0
287.13968	1.7
289.09720	4.4
290.10248	0.5
291.11212	2.2
292.08380	0.7
293.09280	1.7
293.12894	4.1
294.10095	4.5
294.13507	0.7
295.10815	3.2
296.11603	2.0
297.09125	0.6
297.12396	1.4
299.10281	1.4
299.13696	0.6
306.10022	0.9
307.10782	2.1
308.11633	1.1
309.12308	2.0
310.13141	1.1
311.10306	4.9
311.14023	2.2
312.11011	2.2
313.11813	1.9
314.12625	1.1
315.13507	1.5
317.09314	0.7
323.10181	1.3
323.14005	1.7
324.11130	1.4
325.11716	2.7
326.12531	4.1
327.13416	6.5
335.10217	6.4
337.11920	0.7
339.13403	43.4
340.10535	1.6
340.13983	1.2
352.10703	1.0
353.11179	0.7
354.12106	4.2
355.12927	10.9
357.14441	0.5
367.12921	29.3
368.13770	0.7
370.15283	0.6
385.14139	0.6
386.14825	0.6
387.15567	0.7
398.15005	1.1
399.15726	1.0
416.16119	1.3
432.19104	0.5
446.16779	0.8
447.18146	0.8
451.21039	0.6
458.17203	1.6
460.18665	1.3
464.22147	0.6
479.20685	2.2
480.21384	1.1
488.18173	7.1
492.21283	3.5
520.20837	100.0
521.21246	4.1
538.21301	1.0
552.23438	35.6
553.23865	2.4
593.24249	0.6
611.24902	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	675.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68213	0.4
58.09556	0.4
70.74590	1.1
117.44384	0.4
234.98750	0.5
279.47418	0.4
445.18655	0.5
453.16003	0.6
454.16464	1.5
455.13342	0.7
456.13919	0.7
467.12836	0.8
467.18246	0.9
468.13773	2.2
469.14984	7.4
470.15714	2.2
471.16821	1.7
472.17764	0.8
479.17267	0.6
480.14258	0.8
481.14880	2.8
482.15906	11.0
483.16635	9.6
484.17267	2.2
485.18594	1.0
495.16763	3.6
496.17728	6.0
497.18280	38.7
498.18918	4.2
499.20355	0.8
500.16818	0.4
510.19144	1.8
511.19797	5.2
512.20593	1.2
513.17615	0.5
515.19244	1.7
524.18042	0.6
528.16510	2.0
541.17114	0.7
542.17883	2.5
555.18671	3.2
556.19495	3.4
557.20349	3.2
558.20813	0.5
569.20758	1.3
571.21948	0.6
585.23181	0.7
616.21667	1.2
617.22803	0.6
629.22540	1.2
643.23938	6.8
644.24829	7.7
645.22510	1.4
657.25690	6.4
660.24939	1.2
675.26660	100.0
676.26697	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	675.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
57.60703	0.6
67.05498	1.5
69.20053	2.7
69.20481	4.1
70.96303	0.7
79.05485	3.3
80.05004	2.0
81.05787	0.9
82.06576	2.3
91.05479	3.0
93.07040	6.5
94.06563	11.2
95.04980	0.8
95.07376	6.3
96.08134	16.8
97.06532	2.0
103.05502	1.7
105.04557	1.0
105.36460	0.7
106.06554	0.9
108.04480	1.0
108.08124	13.6
110.09687	24.7
120.04475	0.9
120.08121	19.0
122.06041	13.2
123.06847	1.2
124.07611	2.1
136.07582	13.1
138.09145	29.6
140.95775	0.8
146.06107	1.0
148.07567	5.7
150.05492	0.8
160.07556	0.8
166.08650	33.3
177.39066	0.8
190.29947	0.7
199.08783	1.4
207.09039	1.1
211.08752	2.8
219.09224	1.0
220.10132	0.9
221.10721	2.0
223.08676	1.4
225.10219	1.1
230.05708	0.7
233.10785	1.0
233.94321	0.7
234.07896	1.2
235.08685	3.9
236.09433	1.2
237.10258	2.4
247.08665	3.9
248.09381	3.5
249.10239	28.2
250.11003	4.7
251.08162	1.4
251.11853	5.0
253.09662	1.5
261.10254	5.1
262.10916	0.9
263.08224	2.3
263.11801	6.0
264.08908	1.6
265.09750	3.1
267.11603	0.8
269.09140	0.8
271.10751	1.2
275.08145	2.7
276.08710	1.0
277.09726	16.5
278.10565	5.0
279.11285	3.9
281.09229	0.9
281.12973	0.9
287.11569	1.0
288.11554	1.0
289.09705	2.8
291.08182	1.0
291.11270	6.0
292.12070	1.4
293.09235	1.8
295.10840	1.5
300.11539	1.2
300.15027	1.3
301.12448	0.9
302.12881	1.3
303.07550	0.9
305.08954	1.0
307.10706	1.4
308.11737	1.0
309.12317	7.6
310.13507	3.5
311.10815	0.8
311.14276	2.0
312.11627	1.1
313.12354	3.2
314.13113	3.8
315.14032	1.3
316.11069	1.0
316.14636	0.8
321.08630	1.6
323.10358	1.0
323.14078	1.2
324.11655	1.1
324.15063	2.8
325.12616	1.7
325.16129	1.1
326.13010	3.1
326.16711	1.8
327.13947	2.6
328.10886	5.4
328.14319	6.2
329.11749	1.8
329.15268	2.7
330.12381	2.6
330.16068	1.6
332.13831	1.0
335.10196	2.3
337.12158	2.5
338.12949	3.3
339.13876	1.6
340.10797	1.8
340.14566	2.1
341.11639	4.0
342.12399	9.1
342.16071	1.9
343.13223	4.1
343.17020	1.3
344.10300	0.9
344.13977	3.2
344.17621	1.3
346.11752	0.9
351.13651	1.7
352.14536	7.8
353.11667	1.1
353.15826	3.4
354.12259	4.8
354.16208	3.8
355.13251	5.9
356.10278	2.0
356.13992	12.6
356.18240	0.5
357.14832	5.3
358.11777	1.7
358.15598	2.5
363.42233	0.8
365.11810	1.2
366.12579	1.2
367.13385	2.4
368.10004	1.7
368.14056	3.4
369.11127	2.4
369.15070	1.6
370.11362	4.0
370.15939	7.2
371.12665	2.1
371.16742	3.6
372.13275	2.6
372.17218	5.4
373.14395	1.3
374.15063	2.1
379.12936	1.0
380.14133	4.6
381.14752	1.5
382.11679	2.7
382.15897	5.8
383.13049	3.1
384.13284	10.5
384.17325	1.1
385.13736	4.8
385.18066	1.9
386.10919	1.7
386.15021	3.1
386.19000	1.8
388.12537	1.1
395.12607	1.7
396.13361	1.8
397.14261	3.1
398.15134	13.5
399.15936	9.0
400.16812	14.4
401.14264	1.1
402.14810	1.9
404.15759	1.0
408.13483	2.1
410.15320	3.6
411.12756	1.2
412.12802	4.3
413.13705	2.3
414.14023	2.1
414.18988	4.0
415.15253	1.4
416.16068	6.7
417.16989	1.7
418.17963	1.1
424.12927	1.2
425.13968	1.8
426.14545	12.5
427.14902	1.6
428.16068	10.1
429.17493	1.1
430.14099	2.1
431.14651	1.1
432.15268	1.2
436.12851	1.2
440.16193	1.1
442.12943	1.9
442.18649	6.8
443.14349	1.1
444.15668	7.3
446.17554	1.3
447.40363	0.8
454.07614	1.8
454.13995	35.9
455.14169	1.3
460.19275	14.1
464.18317	1.0
468.15417	1.2
472.15088	100.0
473.15338	3.4
474.16574	14.3
476.17850	1.0
486.16486	5.2
492.17679	51.6
493.18182	1.9
504.17715	30.3
506.19788	1.0
520.20789	1.3
522.18744	3.7
579.22485	2.4
588.47980	0.9
593.23413	1.0
597.23438	1.2
607.21930	15.4
611.25104	7.4
621.23572	1.0
625.22961	27.0
626.23798	0.9
629.25323	3.6
639.24469	29.1
640.25153	1.6
643.23804	1.1
657.25592	84.9
658.25555	3.2
675.26434	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	673.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41442	0.5
53.03922	1.4
55.01840	0.9
55.05492	1.1
56.96535	0.9
57.03413	1.7
59.04977	0.9
61.02934	4.2
65.03932	0.7
67.05506	6.3
68.45609	0.4
68.99764	0.7
69.03429	2.8
69.07074	5.7
69.20468	0.5
71.04970	1.1
71.56045	0.5
72.76348	0.4
73.02923	2.7
79.05505	2.9
81.03419	4.0
81.07049	3.1
83.04935	1.1
83.08602	1.0
84.08105	0.4
85.02910	4.9
85.06515	1.2
88.83399	0.5
91.03943	3.0
91.05460	4.0
93.07007	2.0
95.04931	1.4
95.08576	1.8
97.02877	4.0
97.06535	4.7
99.04454	0.8
101.02354	0.9
103.03906	0.6
105.07004	2.1
107.08620	2.3
109.02844	0.9
109.06492	0.5
109.09592	0.4
109.10159	5.8
111.08094	0.5
115.03936	0.6
117.07001	0.6
119.08533	1.8
121.02835	0.7
121.06483	0.6
121.10087	1.6
123.03574	0.7
123.04441	14.3
127.03896	1.9
129.06973	0.8
131.04903	0.8
131.08563	1.9
133.10077	1.9
135.08005	0.7
135.11674	0.5
137.02353	7.3
137.05978	0.9
139.03889	1.6
142.07706	0.5
143.08522	0.6
145.10091	0.9
147.04391	0.7
147.11635	1.2
149.02328	1.3
149.09601	1.9
151.03918	0.6
155.10620	0.5
157.10095	1.1
159.08112	0.6
161.05919	0.8
163.03925	1.0
167.03427	0.9
173.11702	1.7
175.03876	0.8
175.11188	1.1
177.05507	0.6
185.05907	0.9
189.05374	0.5
189.09204	0.5
191.07014	0.9
192.07690	0.6
193.12242	1.3
195.09950	1.1
199.03937	0.9
201.05432	0.9
201.09177	3.5
213.05457	1.1
217.04909	0.5
219.10164	9.5
225.14941	0.6
227.03163	0.6
229.14404	1.2
231.06584	1.1
241.04993	1.1
243.08447	2.4
245.04451	0.9
257.04425	0.7
259.05777	0.6
267.06680	0.4
267.15790	0.5
269.04398	0.7
271.06107	2.4
281.07611	0.5
283.15137	3.5
286.04828	0.9
287.05505	93.8
288.05807	3.7
293.09326	0.9
299.05469	2.5
300.06226	1.1
301.06976	1.5
313.10730	2.5
339.17856	0.9
341.10086	2.5
343.30704	0.6
383.11234	5.1
413.17847	9.4
425.08652	7.9
469.20602	0.6
501.15976	0.8
501.23090	9.0
504.25702	0.5
511.28494	0.7
550.22113	0.9
551.22711	1.4
625.17474	0.8
655.17651	0.9
673.34045	100.0
674.34491	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	672.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
53.53897	0.8
55.05516	4.5
55.48819	0.8
57.03440	3.8
57.07081	35.0
59.37135	0.6
61.02934	11.1
61.48487	0.8
67.05224	1.0
67.05510	10.0
69.03411	2.1
69.06782	0.7
69.07076	8.7
71.05012	1.0
71.08637	26.2
73.02936	4.2
75.04475	3.1
79.05456	0.8
81.03405	1.4
81.07063	13.5
83.08624	10.3
85.02913	13.6
85.10186	16.4
89.05998	1.2
91.03965	10.0
91.05469	0.9
93.07085	0.9
95.08614	22.3
95.09225	1.1
97.02901	7.5
97.10172	5.2
99.11714	1.3
105.07012	1.3
107.04972	1.3
109.10170	10.2
119.08527	1.5
123.11715	4.5
125.13279	1.6
127.03909	4.0
137.13292	2.7
145.04990	3.6
147.04436	1.0
149.02322	1.0
151.14868	0.8
163.06032	9.2
170.46463	0.8
189.05644	0.7
203.07166	1.4
221.22710	1.2
230.47543	0.8
239.23715	22.7
257.24847	4.2
269.08093	1.0
311.07901	0.7
313.10742	1.5
313.27383	100.0
314.27780	1.8
331.28470	21.1
331.77060	0.7
393.00211	0.8
401.27777	0.8
420.11990	0.7
475.32693	2.3
626.05420	0.7
628.53772	0.8
672.31714	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	673.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28918	0.8
53.03951	0.8
54.56625	0.8
56.96567	1.2
67.05511	0.8
69.03439	0.8
71.57797	1.5
79.05500	1.9
80.05032	0.8
81.03457	1.1
84.08125	1.2
85.02927	1.2
91.05497	1.7
92.18723	0.8
93.07053	2.4
94.06594	2.6
95.07336	1.8
95.08630	1.7
96.08147	5.3
97.02894	0.7
103.05482	1.2
105.07063	1.5
108.08116	5.1
109.06429	0.7
109.10176	1.0
110.09698	8.6
120.08131	6.1
122.06055	1.8
124.60206	0.7
125.48331	0.7
130.08759	0.8
134.06042	0.9
136.07550	5.1
137.06007	1.5
138.09138	9.0
138.62231	0.8
141.13281	0.9
148.07576	2.3
150.09145	0.8
151.07607	1.1
153.05409	1.1
166.08656	12.5
176.67409	0.9
180.02550	0.7
191.06947	0.8
209.10718	1.1
215.99599	0.8
225.10313	1.1
225.97926	1.5
235.08711	3.7
236.09444	4.7
237.10246	15.7
239.11823	1.1
249.10274	13.7
250.11049	2.4
251.11832	4.8
253.09726	2.0
259.04565	1.1
261.10089	1.9
263.08102	1.4
264.08929	9.3
265.09778	7.7
266.10504	1.3
267.11365	4.3
277.09741	11.6
278.07431	0.7
278.10495	4.3
279.08310	1.2
279.11328	9.9
280.12128	2.0
281.09274	2.9
283.10812	1.6
284.06827	6.9
284.26447	0.8
285.07385	2.3
287.05316	1.7
289.09753	1.6
291.07761	1.0
292.08420	1.5
292.11783	1.0
293.09277	41.2
293.12778	4.9
294.09766	1.6
295.10706	3.0
297.08636	0.8
297.12405	1.2
299.09155	7.5
300.09491	3.3
305.09189	8.0
306.10056	1.1
307.10779	9.8
309.08682	1.9
309.12396	2.2
310.04938	1.0
310.55136	1.9
311.05405	1.5
311.10422	2.2
311.14111	1.0
312.11169	1.0
313.11826	1.9
318.06534	13.1
318.56735	10.9
319.06732	3.8
319.10645	1.6
323.10266	5.2
324.11111	1.4
325.11813	3.8
327.07074	1.3
327.13306	1.3
328.14578	1.1
333.08685	5.4
334.93961	0.8
337.11911	3.4
339.13416	8.6
340.14227	1.1
351.09781	22.0
353.11234	1.6
353.15070	2.1
354.12177	1.8
355.13156	1.6
356.13986	1.0
358.03705	2.1
359.03824	1.5
365.11499	2.8
366.11984	4.4
367.13147	1.5
368.14029	2.0
369.14575	1.5
370.11533	1.0
371.12497	4.6
374.09055	5.0
374.59317	4.3
375.09619	1.7
376.04730	3.2
383.12512	6.8
384.17148	1.1
385.14117	2.4
397.14072	6.0
398.14755	3.5
400.16098	0.9
416.16177	1.1
418.17664	3.5
428.15955	1.6
438.14484	2.4
446.17047	12.3
456.15833	5.5
458.17194	1.8
476.18143	6.0
478.19894	9.9
488.18082	1.9
490.20126	0.8
518.19110	1.9
519.20325	3.4
536.20282	4.9
550.21899	45.1
551.22681	100.0
552.22998	3.8
591.22742	1.2
609.23444	3.3
623.24622	2.4
641.26257	10.7
673.34161	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15072	0.4
53.03947	0.4
55.01864	0.5
55.05294	0.4
55.05513	4.4
56.04761	0.4
57.03440	4.1
57.07079	36.9
59.63215	0.4
61.02929	14.8
64.72623	0.4
67.05164	0.7
67.05507	10.3
67.96687	0.4
69.03427	1.9
69.06719	0.6
69.07070	7.4
71.08635	29.4
71.58092	0.6
73.02930	5.6
75.04497	2.3
75.04865	0.4
75.68855	0.4
79.05501	1.4
81.03439	2.1
81.07063	15.8
83.08138	0.7
83.08620	10.4
85.02906	17.7
85.06550	0.5
85.10186	18.1
89.06030	1.6
91.03392	0.9
91.03960	13.2
91.05494	1.5
93.07029	1.3
95.04955	1.7
95.08611	24.3
96.88130	0.4
97.02901	7.4
97.10172	6.2
99.04463	1.1
99.11724	1.4
101.75329	0.5
103.07590	1.0
105.07029	1.1
107.04935	0.8
107.08579	0.6
109.02931	1.0
109.06523	0.5
109.09454	0.8
109.10160	11.4
111.11729	1.5
115.03910	1.2
117.06934	0.5
119.08569	0.7
123.11709	4.7
125.13258	0.5
127.03912	5.5
131.08495	0.5
133.10101	0.4
137.13234	2.1
139.14822	0.5
145.04964	8.4
146.93192	0.4
149.13171	0.5
151.14850	1.0
161.13252	0.5
163.06021	10.6
221.22572	1.4
239.23705	23.5
243.94894	0.5
257.24750	4.3
313.27374	100.0
314.27676	1.6
320.87897	0.4
331.28436	33.1
332.29004	0.8
475.32996	0.6
636.39935	0.8
654.39899	0.5
672.30774	1.0
672.41302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1973
Annotation	Picramnioside F
Peak:m/z	Relative Intensity
53.03918	0.3
55.01849	0.5
56.09420	0.2
57.03408	0.7
61.00968	0.3
61.02888	1.0
63.02343	0.3
65.03912	0.3
69.03426	3.1
70.70242	0.6
70.70582	0.3
71.01373	0.5
71.04968	0.5
73.02902	0.6
79.05443	0.4
81.03388	1.1
85.02911	4.9
87.04430	0.7
89.03912	1.2
91.05476	1.9
93.07008	0.4
95.01335	0.5
95.04932	0.4
97.02893	1.9
99.04413	0.5
101.02391	0.3
103.05460	3.1
105.07034	1.5
106.04147	0.6
107.01356	0.3
107.04935	0.4
109.02847	0.9
115.05424	0.8
117.03387	2.6
118.04159	2.0
121.06512	2.0
123.00806	1.3
125.06055	0.3
127.03885	1.2
128.06183	0.4
129.06952	0.3
130.04115	0.8
131.04141	0.3
131.04939	2.9
132.05695	0.6
133.02821	0.3
133.06505	1.8
134.00227	0.2
134.03647	1.9
135.04431	0.4
137.06020	0.3
144.05713	0.3
145.02852	2.1
145.04970	0.4
145.06451	0.7
146.03632	0.5
147.04395	0.7
148.05150	1.1
149.02267	0.3
149.06000	2.2
151.03874	0.4
151.07526	0.4
152.01079	1.5
153.01866	1.2
154.06230	0.7
155.04926	5.3
155.06055	0.2
156.05588	0.3
159.04407	0.4
160.05145	0.5
161.05983	3.2
163.03889	0.4
163.07436	0.3
167.07065	3.2
170.02136	0.5
171.04407	0.9
172.05151	0.5
173.05934	0.6
175.03903	0.4
176.04675	2.1
177.04286	0.3
177.05499	2.9
178.06154	0.5
179.06940	0.4
180.07748	0.4
181.08575	0.4
182.09370	1.1
183.04395	3.9
184.05164	0.9
185.05943	0.4
187.07541	1.8
188.43954	0.3
191.07021	3.9
192.07730	0.9
193.08589	2.6
197.05980	0.4
200.04726	1.4
201.05347	0.4
207.06537	0.3
209.08084	0.8
210.08923	1.5
211.03922	3.7
212.04639	0.8
213.05550	0.5
223.03893	0.3
225.05444	1.1
227.07082	0.3
228.04144	1.5
229.04895	0.6
230.05714	0.6
239.03380	5.4
240.04199	0.9
241.04942	1.7
242.05815	0.2
243.06424	0.5
245.08025	0.7
251.03467	0.3
253.04849	0.4
255.02888	0.6
256.03690	8.9
256.07303	1.1
257.04343	0.5
267.02951	0.9
268.03656	0.8
269.04407	1.5
271.06018	85.9
272.06381	1.7
284.06915	0.4
285.03940	1.0
285.07611	0.8
286.04706	3.2
297.07602	0.6
299.05515	39.5
300.06262	8.9
301.07062	17.7
302.07376	0.3
311.05457	0.6
325.07123	0.4
329.06592	0.5
341.06586	0.8
355.08133	0.9
430.10803	0.3
435.10791	0.3
479.13358	3.5
491.13434	19.3
492.13983	0.7
509.14453	100.0
510.14847	3.0
551.15344	0.7
671.19684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.8
55.01871	2.6
65.03943	3.3
70.39681	8.9
72.86362	2.5
78.75529	2.2
79.05499	5.3
79.32019	2.6
81.07057	6.3
82.04684	2.1
91.05500	10.5
93.07038	2.3
95.04966	4.8
98.20841	2.8
103.86606	2.3
105.03378	2.7
105.07021	3.4
105.31707	2.1
107.04996	2.5
115.05447	3.5
119.04959	4.5
119.08595	3.3
120.65696	2.4
121.06533	6.8
128.06233	3.2
131.01294	2.7
131.04947	4.4
133.02867	5.9
135.04416	5.4
144.05800	2.3
145.06528	8.7
146.52448	2.6
147.04424	4.8
147.08067	7.3
148.05199	2.9
149.02361	41.5
149.05963	4.3
151.03926	11.5
151.07591	6.0
153.05438	3.2
157.06429	2.7
159.04413	4.2
160.05116	3.5
161.02342	13.6
161.06003	9.1
163.03944	6.1
165.06931	2.9
167.03401	28.7
167.07106	2.9
171.07996	2.9
173.06010	6.7
175.03908	56.5
175.05278	4.5
175.07532	7.3
176.04698	7.6
177.05447	18.5
179.07033	7.0
179.08519	2.6
181.97469	2.4
183.08151	5.1
185.05983	12.6
187.03854	15.9
187.07660	3.7
188.04715	3.0
189.05521	11.0
191.03366	6.7
191.07051	13.3
192.07813	17.9
193.05023	5.0
195.08112	4.1
197.09482	3.0
201.05484	14.1
201.09183	3.4
203.01506	2.8
203.01813	1.5
203.03409	69.5
203.07039	100.0
204.07466	2.7
205.04926	12.1
205.08597	19.8
207.06546	5.7
211.07536	9.7
213.09094	4.9
217.04939	6.0
225.09132	3.1
225.72256	3.1
227.07060	16.1
229.04991	3.8
229.08636	10.8
231.06589	3.8
239.07103	4.9
243.10173	30.9
249.08928	2.5
255.06372	3.7
257.08078	15.4
259.09607	13.0
263.07047	3.4
269.08206	3.2
283.06064	4.5
285.07471	3.9
287.06964	3.2
290.05713	4.2
291.06500	4.2
293.08081	4.5
303.06601	5.6
304.07101	2.9
305.08289	4.9
307.05994	6.0
309.04095	3.1
309.07419	2.9
311.05511	6.6
315.10114	3.0
317.04456	7.4
318.05371	6.3
318.08875	3.4
319.06082	6.3
319.09674	6.2
321.07681	4.9
321.11362	4.5
323.05649	3.1
329.07996	4.7
330.08823	3.2
331.05954	17.1
331.09528	5.4
332.06824	13.3
333.03989	5.0
333.07565	21.2
333.11154	3.9
334.08258	3.1
335.05457	11.2
338.04083	3.6
339.05017	41.5
343.09805	4.4
345.03732	4.8
345.07578	4.8
345.11334	3.4
346.04721	4.1
347.05380	9.4
347.09238	9.5
348.06308	8.9
349.07019	9.2
349.10849	7.1
351.08594	6.2
353.06403	3.4
359.05338	7.2
359.09131	4.7
360.06277	8.7
361.06967	58.1
361.10803	9.7
362.07748	8.2
362.11682	3.8
363.04837	7.5
363.08600	4.7
363.12439	4.8
367.15427	5.3
371.09384	3.4
373.10583	10.3
375.08612	21.3
375.12589	3.5
377.06210	5.0
377.10144	6.6
377.14182	5.7
378.07178	5.3
379.07733	13.0
379.11923	8.2
380.12790	3.1
381.13593	3.8
387.12289	3.6
389.14166	4.1
390.11325	6.0
391.11719	10.5
393.09225	27.8
393.13516	9.3
394.10428	6.0
395.11224	65.2
395.15768	5.2
396.11765	3.4
401.10391	4.3
403.11923	4.9
404.12433	7.5
405.13321	16.8
409.12830	11.2
411.14307	9.9
415.11700	6.7
417.13419	80.3
418.13992	5.4
423.14127	5.8
431.14981	13.2
432.15778	53.4
433.12598	8.9
434.13507	4.0
435.14545	19.5
437.15833	3.9
449.15976	64.5
461.12247	8.0
463.13779	5.4
475.13739	3.4
493.14828	3.2
503.11850	2.7
533.13159	3.6
551.13690	3.9
563.12958	4.2
564.14264	2.7
567.16449	7.8
591.19507	3.3
595.15942	15.8
601.17914	4.6
605.20166	3.6
606.18945	3.0
607.20282	5.6
609.69916	2.7
613.17316	3.5
619.19519	18.1
620.20349	10.4
621.20862	11.2
623.22754	15.4
633.21063	17.2
637.20807	77.3
638.20184	2.9
639.22266	15.8
651.22327	95.1
669.23016	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01871	1.2
59.17061	1.0
59.34543	1.0
67.05500	2.4
69.07085	1.7
69.70763	1.0
79.05492	2.5
81.02981	1.0
81.03420	4.2
81.07050	2.8
81.19862	0.9
91.05483	2.1
95.04972	1.4
95.08624	1.3
98.21497	3.1
100.48955	1.0
102.27302	1.1
107.04966	1.7
109.02888	4.5
109.06532	2.6
115.05453	1.1
117.07061	1.4
119.08582	1.4
119.74637	1.0
121.02875	1.8
123.04376	1.3
129.07039	3.1
131.04939	2.1
131.08557	1.4
133.02876	1.5
135.04404	1.3
137.05974	2.4
141.05493	1.3
144.05702	1.3
145.06516	2.0
147.08055	1.3
149.02327	3.7
151.03990	1.6
154.73199	1.0
155.08614	1.0
157.06454	1.6
158.07272	2.6
159.04382	1.3
159.08076	2.0
161.02380	4.0
161.06006	3.9
163.03925	2.4
165.05487	2.2
167.03328	1.4
173.06094	1.2
175.03973	4.0
178.80888	1.0
179.08516	1.4
181.05011	2.0
181.06496	1.4
183.08089	2.6
185.06013	4.6
187.03940	4.4
187.07478	1.9
189.05495	2.0
192.10185	1.0
193.05028	2.2
195.08064	1.2
201.05469	1.7
201.09149	2.4
203.07048	47.3
209.04494	2.1
211.07556	21.7
213.05562	1.9
214.06195	1.5
227.07080	1.2
229.05138	1.4
229.08614	34.7
237.05772	1.2
237.08978	1.3
239.07013	14.0
241.08652	3.4
242.05751	3.1
243.06546	3.1
243.10172	16.7
245.08055	2.0
251.07030	1.5
251.10684	1.2
257.08109	73.9
258.08575	1.9
259.09747	4.4
263.06931	1.4
269.08032	7.5
270.05322	1.3
279.06418	2.3
281.08124	2.6
285.07599	100.0
286.07831	1.4
291.06561	1.2
293.08212	1.6
295.06189	1.4
295.09576	1.4
297.07617	3.4
298.08347	1.6
313.06982	6.2
321.07574	1.7
333.11450	2.8
334.23944	2.0
335.09027	1.2
359.09128	1.2
361.10745	3.4
367.12003	5.0
377.10074	1.5
385.12866	19.4
387.08612	1.6
389.10266	2.5
399.10681	2.9
411.10895	2.3
415.18829	3.2
417.09470	1.8
421.12646	3.2
427.10269	10.0
433.12842	10.2
435.10748	7.8
439.13757	3.1
449.12210	3.5
461.08774	4.4
467.13315	3.4
533.15778	1.9
545.15753	1.8
563.16998	3.6
591.15704	1.7
609.16785	1.5
619.15826	2.4
623.19141	5.5
637.16772	9.1
637.27301	5.5
641.20044	21.9
651.18250	10.5
651.28516	2.1
668.47888	1.2
669.19348	47.5
669.29987	20.7
670.20337	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	669.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76368	0.3
53.03928	1.0
55.01849	0.6
55.92691	0.3
57.03409	0.9
61.02911	0.6
64.92908	0.3
67.20217	0.3
69.03436	4.2
70.96842	0.7
71.01325	0.5
71.04977	0.6
73.02895	0.4
79.05508	0.7
81.03426	1.8
81.07040	0.3
85.02426	0.5
85.02908	7.4
87.04456	0.8
89.03913	2.5
91.05485	2.2
93.03359	0.3
93.07025	1.1
95.04968	0.8
95.08585	0.3
95.19639	0.3
97.02898	2.4
98.97496	0.3
99.04432	0.6
102.04675	0.5
103.05469	3.7
105.07041	1.7
106.04154	0.4
107.04937	0.4
109.02860	1.0
109.06531	0.3
115.05431	0.7
117.02615	0.5
117.03386	6.8
118.04146	1.4
119.04913	0.4
119.08539	0.4
121.06521	2.2
123.00777	0.4
127.03908	1.6
127.05408	0.4
128.06206	0.7
129.06985	0.6
130.04103	1.2
130.30229	0.3
131.04938	2.6
132.05667	1.1
133.02884	0.5
133.06500	1.5
135.04375	0.5
139.05417	0.5
140.04640	0.3
141.06927	0.4
145.02864	4.5
145.04948	0.5
145.06441	0.8
146.03586	0.9
147.04379	0.9
148.05196	1.4
149.02339	0.5
149.05998	2.4
154.06247	1.0
155.04929	8.6
155.06055	0.4
157.06512	0.7
160.05168	0.6
161.05988	2.6
167.04886	0.5
167.07057	3.7
168.05707	0.4
171.04372	1.1
173.06036	0.5
175.03926	0.9
176.04721	2.5
177.05484	6.3
178.06302	0.5
179.07014	0.6
180.07809	0.3
181.08560	0.4
182.09387	1.3
183.04427	9.9
184.05197	0.5
185.06021	3.5
191.07050	4.9
192.07738	1.0
193.08597	2.6
196.05292	0.5
207.06497	0.8
209.08115	0.9
210.08961	1.7
211.03929	4.6
212.04727	1.6
213.05476	0.9
223.03938	1.0
224.04688	0.7
225.05379	0.5
239.03407	12.0
240.04112	1.8
241.05002	4.5
243.06551	1.0
245.04543	0.4
253.05025	0.9
254.05763	1.1
266.05545	0.3
267.02933	1.1
268.03653	1.4
269.04468	81.7
270.04916	1.3
271.06131	0.6
273.04037	0.6
283.06070	0.4
295.06149	0.6
297.03961	42.6
298.04724	7.0
299.05524	19.0
301.03720	0.6
301.07037	0.8
309.03809	0.5
316.05817	1.9
323.05679	0.5
327.05164	0.4
331.08163	5.3
339.05075	0.5
351.41495	0.3
353.06476	1.0
457.09500	0.4
477.11865	3.7
489.11865	20.4
490.12228	0.4
507.12918	100.0
508.13300	2.7
518.00836	0.4
549.13989	0.7
669.18176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01849	0.8
57.03410	0.9
61.02936	1.1
63.02346	0.4
67.05497	0.4
69.03436	4.1
69.24259	0.2
71.04961	0.9
71.07111	0.5
73.02885	0.8
78.04688	0.3
79.05454	0.7
81.03425	1.7
81.07020	0.6
85.02909	7.0
87.04457	0.6
89.03916	2.4
90.04680	0.3
91.03925	0.3
91.05053	0.2
91.05477	2.1
91.71017	0.2
93.03412	0.4
93.07017	0.9
95.04958	0.7
95.08605	0.5
97.02906	2.7
98.39165	0.2
99.04449	0.6
102.04672	0.4
103.05482	3.1
105.03371	0.4
105.07033	2.2
106.04140	0.7
107.04936	0.8
107.08564	0.4
109.02880	1.3
109.06541	0.3
109.10192	0.2
115.03992	0.3
115.05427	0.9
117.03386	6.7
117.06979	0.7
118.04186	1.5
119.04922	0.9
119.08593	0.3
121.06525	2.4
121.10118	0.4
123.00752	0.8
123.04424	0.5
127.03932	1.4
127.05413	0.5
128.06203	0.4
128.14857	0.2
129.06955	0.5
130.04155	1.3
131.04933	3.6
132.05667	0.9
132.06560	0.2
133.02814	0.3
133.06482	1.8
134.03600	0.3
135.04428	0.7
135.08006	0.3
137.05959	0.5
139.05486	0.3
145.02866	3.5
145.04929	0.9
145.06468	1.0
146.03604	0.7
147.04410	1.2
148.05157	0.9
149.02341	0.6
149.05995	2.9
151.07491	0.4
153.05380	0.3
154.06241	0.9
155.04927	8.0
155.06050	0.7
157.06508	0.5
159.04420	0.3
160.05150	0.6
161.06007	3.0
163.03949	0.3
163.07509	0.3
167.04877	0.5
167.07043	3.4
168.05663	0.5
171.04398	1.5
173.05994	0.6
175.03944	1.3
176.04704	2.2
177.05478	4.5
178.06184	0.5
179.07042	0.4
180.07797	0.3
181.08565	0.7
182.09384	1.2
183.04431	8.6
184.05136	0.7
185.05977	3.6
187.03871	0.2
191.07037	5.6
192.07838	1.3
193.08623	2.5
195.04439	0.7
196.05167	0.7
197.05943	0.4
201.05646	0.2
207.06538	0.8
209.08035	1.1
210.08934	1.8
210.13869	0.2
211.01988	0.5
211.03914	5.6
212.04671	1.6
213.05579	1.2
223.03922	0.8
224.04692	0.6
225.05424	0.4
237.05539	0.3
239.03413	13.5
240.04071	1.5
241.04970	4.3
243.06543	0.9
245.04558	0.2
251.03418	0.5
253.04912	0.8
254.05812	1.4
265.05005	0.4
267.02917	1.0
267.09000	0.3
268.03699	1.4
269.04465	85.1
270.04855	2.1
271.05899	0.4
273.03833	0.5
281.04214	0.2
282.05182	0.3
283.06030	0.7
287.05478	0.3
295.05960	0.7
297.03961	45.0
298.04706	7.9
299.05530	20.5
300.05850	0.6
301.03375	0.6
301.07071	0.7
309.04095	0.5
310.04721	0.3
316.05829	1.5
323.05539	0.5
327.05023	0.9
331.08167	3.9
339.04974	0.8
353.06583	0.7
457.09195	0.3
477.11823	3.9
489.11847	23.5
490.12320	0.6
507.12912	100.0
508.13110	3.0
549.13678	0.5
649.79321	0.2
669.17725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29370	0.4
53.03950	0.5
55.05499	1.6
57.03439	0.6
57.07075	0.7
67.05511	4.1
69.07069	2.0
77.27642	0.4
79.05497	2.8
81.07067	4.5
83.08643	0.5
91.05489	3.2
93.07043	3.6
95.04986	0.5
95.08603	3.5
99.28693	0.4
102.42634	0.4
105.07024	2.4
107.04917	0.4
107.08570	1.9
109.10183	2.2
117.07054	0.4
119.08590	1.1
121.10134	1.1
122.34849	0.4
123.11691	0.4
129.05165	0.4
129.07057	0.5
131.08572	0.8
133.10194	0.9
135.07997	0.4
135.11752	0.9
142.07666	0.5
143.08658	0.5
145.10139	0.9
147.11711	0.9
159.11665	0.6
171.11761	0.5
173.13336	0.6
183.11586	0.5
203.07094	0.9
242.78804	0.4
243.06482	0.5
247.13223	0.6
315.19394	0.7
325.14844	0.4
330.75250	0.4
333.20386	13.5
333.24149	0.9
335.26035	1.1
348.15863	0.4
389.22992	6.2
411.86380	0.5
429.20749	0.5
454.37622	0.4
581.38177	1.8
667.45526	100.0
668.45917	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	667.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01870	4.4
55.05506	6.9
65.03940	2.3
67.05505	17.1
68.99783	2.5
69.07072	11.0
69.79240	7.4
79.05106	1.7
79.05502	13.7
81.03419	9.4
81.07061	25.3
83.01326	2.4
83.08612	2.5
85.02912	1.7
91.05477	16.9
93.03416	2.5
93.07052	34.7
95.04958	3.5
95.08617	10.8
103.05462	4.3
105.03386	1.6
105.07044	8.3
107.04966	6.8
107.08601	24.1
109.02892	18.6
109.06551	2.0
109.10152	16.6
117.06992	3.1
119.08585	4.9
121.06502	5.4
121.10162	7.9
123.04464	2.0
123.08111	2.4
123.11701	2.4
131.04945	14.3
131.08554	6.3
133.10130	4.5
134.69054	1.4
135.08020	2.3
135.11710	21.7
138.87045	1.4
141.01819	3.2
145.10162	1.7
147.04442	2.0
147.08090	2.6
147.11647	2.7
149.02344	1.6
149.05954	2.0
149.09633	15.5
149.13225	2.2
159.08046	3.7
159.11740	2.1
161.09706	1.9
163.14854	2.8
165.01845	58.6
171.11699	1.6
173.11957	1.6
177.01842	50.9
177.09119	3.1
179.03368	5.4
183.02905	26.2
189.01845	5.5
189.05571	2.1
191.03416	9.4
195.02896	79.8
197.04659	2.1
203.03421	12.8
203.07019	4.9
205.04953	3.8
207.02864	3.0
209.04475	2.5
215.03380	1.7
217.05000	3.5
219.06505	4.9
219.43411	1.4
221.04407	5.7
227.07028	3.3
231.06517	4.4
233.08124	1.7
239.07050	2.2
243.06551	3.8
245.08118	52.1
257.08170	2.9
259.09509	2.3
263.09183	20.6
269.08090	54.8
271.09753	2.2
273.11267	4.1
277.21576	7.4
281.08115	15.8
283.09668	4.2
285.11340	2.4
287.12732	3.8
295.09763	2.7
299.12714	7.0
307.09958	3.3
307.13248	2.9
309.11066	2.7
311.12698	4.1
325.14291	2.3
332.05905	1.8
337.14337	3.7
346.03809	1.6
349.14359	100.0
350.14673	1.8
363.15698	3.0
367.19022	12.9
377.17361	3.1
391.18967	5.9
395.22137	6.4
403.19070	7.6
415.19186	3.1
415.24438	1.8
423.22284	8.4
471.25357	16.4
499.08072	1.8
499.27988	1.5
527.27686	3.5
530.95459	1.4
545.29034	45.8
667.38977	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	667.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50491	0.4
55.01872	0.6
55.05495	1.1
57.88284	0.3
59.06125	0.5
65.03936	0.6
67.05488	1.2
67.80913	0.3
69.07074	3.1
69.21632	0.6
69.22036	3.3
70.24847	0.4
72.08129	0.4
74.09689	0.6
79.05494	1.0
81.03378	0.4
81.07061	2.1
81.27011	0.3
91.04965	0.6
91.05484	9.7
93.07050	1.8
95.04958	0.7
95.08598	0.8
102.83608	0.4
103.05480	1.0
103.45338	0.3
104.39961	0.4
105.03378	0.5
105.07033	2.2
107.04953	0.5
107.08595	1.3
109.06463	0.5
109.10138	1.5
112.03728	0.4
115.05445	1.0
117.07052	0.8
119.08593	1.1
121.06461	0.4
129.06990	1.1
131.04906	1.9
131.08565	0.8
135.08092	0.4
135.11655	1.0
141.07011	0.7
144.05672	0.5
147.04398	0.5
147.08047	0.6
149.02306	0.9
155.08553	4.9
157.06462	0.5
158.07280	2.2
159.04449	1.7
159.08081	2.1
160.04041	0.4
161.02284	0.5
161.06033	1.4
163.03868	0.6
165.06981	1.1
166.66464	0.4
167.03394	1.6
169.06483	0.5
171.08104	0.4
173.09648	1.0
175.03918	4.9
175.07541	0.6
179.08554	0.9
183.08066	3.4
185.05974	1.8
187.03914	2.9
187.07538	1.3
189.05376	0.4
189.09126	0.5
191.08589	1.0
191.21083	0.4
193.06465	0.6
193.10123	0.4
195.08102	0.5
197.05998	0.7
199.07518	1.1
201.05479	0.8
201.09106	2.1
203.03368	1.2
203.07018	4.7
207.06427	0.7
207.08154	0.5
209.09695	0.9
211.07547	26.5
212.07944	0.6
213.05475	1.4
213.09032	0.4
214.06236	3.2
215.06996	1.0
219.08069	0.8
224.79829	0.3
225.09140	0.7
227.07022	1.2
227.10794	0.6
229.08601	35.3
235.07555	0.7
237.09142	1.1
239.07040	13.3
241.08583	0.8
242.05707	3.7
243.06503	0.8
243.10005	0.7
245.08090	5.6
247.07642	1.0
249.08975	0.6
251.10619	0.4
253.08624	5.2
257.08096	100.0
258.08472	1.2
263.06989	1.1
265.08612	9.3
267.10147	0.8
269.15298	0.5
274.09808	0.5
277.08649	1.1
279.13953	0.4
291.10172	2.8
297.14905	1.8
300.07935	0.5
303.10104	0.6
305.11734	0.5
307.13278	1.6
319.13287	1.7
331.13287	0.8
351.50290	0.4
373.17801	0.6
375.19556	10.5
393.09427	0.5
393.21036	0.5
413.17490	0.6
415.11707	0.7
419.65402	0.4
431.18164	0.8
433.12793	0.5
447.14252	0.7
491.14810	0.9
497.16132	0.8
509.15961	16.1
521.16071	0.9
527.16675	0.6
563.20758	2.5
581.21771	7.7
613.25623	1.0
631.26984	26.1
632.27338	1.1
635.18774	0.7
649.28064	16.1
650.27869	0.8
667.28888	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	667.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01874	1.0
65.03923	0.8
67.05512	0.7
69.07051	1.7
70.70998	0.5
71.57992	1.1
79.05473	1.1
81.03448	0.5
81.07048	2.0
91.05486	14.3
92.05825	0.7
93.07047	1.6
95.08598	0.7
96.73074	0.5
103.05479	0.8
105.03339	0.9
105.07017	2.4
107.04984	1.2
107.08575	1.1
109.06541	0.8
109.10152	0.8
117.06996	1.1
119.04955	0.7
119.08579	0.9
121.02934	0.6
121.06458	0.7
128.06226	0.7
129.07025	0.8
131.04930	2.1
131.08594	1.3
133.13751	0.5
135.04366	0.6
135.11627	0.6
136.05252	0.4
145.06490	1.2
147.04424	1.4
147.08057	1.1
148.05197	0.6
149.02365	1.7
151.07515	2.5
153.07031	0.7
155.08580	4.9
157.06450	0.6
158.07260	2.4
159.04428	1.9
159.08060	2.2
160.05098	0.9
161.02374	3.0
161.05975	2.2
163.03912	0.8
165.06967	2.2
167.03381	2.1
167.07030	0.6
167.08473	0.9
169.06418	0.8
171.04417	0.7
171.08015	0.9
173.05991	0.9
173.09566	0.8
175.03915	4.8
175.07463	0.7
176.04657	1.4
177.05463	1.3
177.09041	0.6
179.07050	3.2
179.08543	1.3
181.06523	0.8
181.10172	0.8
183.08049	4.0
185.06001	3.4
187.03934	4.0
187.07545	1.0
189.05473	1.4
191.03363	0.6
191.07036	1.8
191.08612	1.1
192.07796	2.7
193.06473	0.9
195.08006	0.6
197.06120	0.6
199.07513	0.9
201.05446	1.5
201.09119	2.3
203.03493	1.1
203.07033	17.8
204.07442	0.8
205.04936	0.6
209.05946	0.7
211.07549	25.3
212.07999	0.8
213.05530	0.9
213.09058	0.7
214.06252	2.8
215.06993	0.9
219.08098	0.9
225.08957	1.3
227.07121	1.5
229.08612	32.1
235.07687	0.9
237.09065	0.9
239.07037	12.5
241.08714	1.0
242.05733	3.5
243.06535	0.9
243.10117	2.0
245.08055	7.0
247.07538	1.3
251.07181	1.0
253.08582	6.0
257.08099	100.0
258.08493	3.3
259.08997	0.7
259.16745	2.0
263.07169	1.8
265.05936	0.5
265.08618	12.6
267.10132	1.1
281.08224	0.8
291.06403	1.0
291.09854	0.5
293.11572	0.8
303.06351	0.5
333.07440	1.1
333.11252	1.0
334.08020	0.5
339.15814	0.6
343.09735	0.8
347.05386	0.7
347.09195	1.1
349.10687	1.5
357.07471	0.6
359.09064	1.1
361.10767	1.4
363.08435	0.8
367.15411	0.9
371.09326	2.5
372.09784	0.9
373.06711	0.8
373.10953	1.2
375.08630	1.2
375.19537	1.6
385.10910	0.8
387.12442	0.7
389.10269	1.5
390.11255	1.0
393.09283	5.2
393.14090	0.9
393.20673	1.4
399.08633	1.3
401.10086	0.7
403.11722	1.3
405.13171	2.0
407.11313	1.3
411.14615	4.2
413.10214	1.4
413.17105	5.4
415.11835	12.1
416.12433	0.6
417.09320	0.8
429.13208	1.6
430.14206	3.6
431.18518	5.2
432.12039	1.3
433.12625	4.5
447.14130	6.6
491.14560	0.8
509.16022	23.2
527.16974	0.7
542.71680	0.7
603.18842	0.6
605.17865	0.7
617.17670	2.0
618.18683	1.7
619.19482	0.9
621.20984	1.9
631.17542	1.0
631.27258	5.1
635.19000	8.1
637.20447	1.0
649.19904	7.0
649.29639	10.4
667.20380	3.5
667.29907	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.6
65.03957	1.5
67.05508	1.9
69.85303	4.7
78.89011	1.0
79.05515	3.0
81.03403	1.7
81.07057	3.8
82.08063	1.1
82.86956	1.1
91.05495	5.6
93.07021	1.3
95.01348	1.6
95.04922	1.4
103.05467	1.8
105.03407	2.1
105.07028	2.5
107.04961	3.9
107.08644	1.9
109.06588	2.3
113.50689	1.1
115.05457	3.0
117.07012	2.4
119.08604	2.6
121.06522	3.9
121.39992	1.3
122.38968	1.2
123.00777	1.4
128.06248	3.3
129.07030	4.8
131.04962	4.7
131.08556	2.3
133.02885	2.0
133.06447	1.2
135.04443	3.6
141.07011	2.2
144.05695	1.2
145.06519	4.8
147.04425	4.8
147.08046	7.9
148.05171	1.4
149.02310	5.4
149.05896	1.7
151.03891	3.0
151.07552	6.4
152.04713	1.7
153.05449	1.5
153.06955	1.7
155.08571	5.9
157.06499	3.3
158.07327	3.6
159.04437	3.9
159.08060	3.8
160.05226	2.8
161.02371	15.7
161.06004	12.8
163.03911	4.8
163.07564	1.5
164.04788	2.7
167.03419	3.4
167.07114	2.9
171.04408	1.7
171.08099	1.4
173.06020	3.4
175.03894	10.8
175.07608	6.5
176.04712	7.2
177.05515	5.2
179.07042	7.4
179.89902	1.2
181.06570	1.3
183.08044	2.9
185.05966	16.2
187.03912	19.9
187.07559	3.6
188.04753	2.4
189.05502	5.2
189.09186	2.7
191.03349	1.2
191.07034	15.8
192.07846	21.4
193.04997	2.0
197.05998	2.2
198.06847	2.4
199.07600	2.5
201.05537	7.2
201.09169	6.0
203.07036	100.0
205.05032	4.6
207.06557	4.2
209.08116	2.3
211.07535	26.9
211.09416	1.7
211.13342	1.7
212.04730	1.6
213.05513	3.3
213.09160	4.2
214.06300	4.8
215.07031	1.5
217.04959	2.6
225.09164	3.1
227.07108	8.8
229.05031	3.3
229.08595	33.6
231.06471	1.6
239.07018	10.6
241.08574	2.1
242.05739	4.1
243.06531	3.0
243.10182	18.8
245.08105	2.8
248.08379	1.3
249.09274	1.1
257.08090	39.2
259.07495	1.8
269.08237	1.6
275.07159	1.7
279.06598	1.6
286.86807	1.2
288.07849	1.4
288.11099	1.2
291.06744	1.7
293.08066	1.8
300.08020	1.8
301.08783	3.6
303.06604	3.4
303.10092	1.6
304.07468	1.6
305.08054	2.2
306.08810	1.3
307.10040	1.6
309.07764	1.6
313.08649	1.9
314.09671	1.4
315.10056	1.6
316.07352	1.7
317.08136	2.2
319.05994	4.1
319.09637	2.9
321.07639	1.6
321.11298	2.2
323.13062	1.2
325.08746	1.6
328.07797	1.3
329.08054	5.5
330.08881	1.4
331.06030	2.3
331.09766	3.7
332.06851	2.7
333.07736	3.2
333.11237	3.4
334.04135	1.3
334.08286	1.7
335.09073	2.3
339.16251	2.1
341.08295	3.3
342.08807	2.8
343.09857	4.6
344.10583	2.2
345.07599	2.7
345.11298	2.7
346.08405	1.9
347.05380	2.1
347.09128	10.3
347.12799	1.4
349.07040	2.6
349.10916	5.5
353.08234	1.9
355.09720	2.6
356.10791	1.5
357.07721	4.4
357.11505	1.9
359.05441	1.7
359.08939	5.7
359.13126	1.6
360.06100	1.4
361.06995	2.7
361.10773	8.8
362.11734	2.8
363.04929	1.9
363.08835	4.4
365.10074	1.6
367.15533	7.2
369.07538	1.9
369.11554	2.8
370.08359	2.6
371.09116	15.2
372.10007	4.5
373.06741	1.9
373.10965	8.1
374.11719	1.3
375.08530	10.9
375.12589	1.4
377.06296	6.3
377.10391	4.6
377.14227	2.5
378.06866	2.1
378.11163	2.8
379.12003	2.1
381.13712	1.7
383.09308	1.6
384.10065	1.6
385.06989	4.4
385.11151	9.1
386.11636	2.3
387.08575	4.1
387.12823	6.4
388.13309	1.7
389.10211	10.2
389.14490	1.5
390.10956	5.0
391.11914	2.5
392.08908	4.5
393.09464	44.2
393.13202	5.6
394.09973	1.7
397.10922	2.9
399.08484	7.7
400.09335	2.5
401.10138	7.2
402.11087	4.8
403.11722	8.8
404.12283	2.4
405.13388	17.9
407.11246	12.6
408.12064	1.5
411.14285	14.3
413.10300	6.8
414.11154	4.8
415.11807	86.6
416.12683	7.9
417.09106	9.7
417.14697	1.5
419.15070	1.7
421.12814	1.6
423.14413	4.0
429.13470	13.0
430.14209	40.8
431.11526	5.1
432.12210	6.3
433.12918	14.8
435.14651	2.2
441.09561	1.7
445.13095	2.1
447.14407	56.1
448.14801	2.1
459.10712	5.3
461.12302	4.3
463.13907	1.5
473.12381	2.7
481.14938	2.0
491.13437	2.3
525.14771	1.4
573.15643	2.7
585.15338	2.4
587.16949	3.7
588.18024	2.0
589.18066	4.4
591.20184	1.5
599.16998	2.1
603.17639	2.3
604.17242	1.6
605.18115	8.5
616.17352	1.3
617.18213	16.1
618.18872	5.8
619.19647	7.3
621.21167	15.4
631.19684	10.1
635.19128	63.1
636.19788	3.1
637.20947	8.8
649.20654	75.2
650.21173	3.2
667.21753	57.6
668.21765	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	667.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69215	1.5
65.03947	2.5
67.05508	1.9
69.07064	2.6
69.38786	6.0
69.39214	7.4
79.05481	2.1
81.07040	4.6
91.05489	22.8
91.06015	3.5
93.07049	3.6
95.04972	1.8
98.20647	2.4
105.07043	4.0
107.04947	2.2
107.08588	2.9
109.06486	2.2
117.07001	3.1
119.04926	1.7
119.08569	2.7
120.50865	1.6
121.06486	2.4
125.63956	1.6
128.06233	3.3
129.07039	2.9
131.04929	4.0
131.08597	2.7
133.02863	2.3
141.06956	2.8
145.10185	1.6
147.04442	2.7
147.08018	3.3
149.02361	3.6
151.07545	4.3
155.08598	8.2
158.07195	3.7
159.04424	2.2
159.08012	2.1
161.02385	6.7
161.04596	1.4
161.05992	6.4
165.06996	2.1
167.03397	3.2
171.08104	2.1
173.06067	2.2
175.03850	8.3
175.07483	2.3
177.05490	3.6
179.07027	6.7
179.08499	3.2
181.06525	1.8
183.08069	4.3
185.06000	6.7
187.03934	9.7
187.07529	2.8
189.05524	1.8
189.09192	2.1
191.07043	5.8
191.08600	2.2
192.07832	6.7
195.08044	2.2
201.05441	4.1
201.09052	4.4
203.03516	2.4
203.05267	3.2
203.07056	47.2
205.05074	2.0
211.07565	29.3
213.05490	1.6
213.09151	1.9
214.06259	2.4
225.09152	2.2
227.07072	4.8
229.08603	34.9
230.09024	1.9
234.81519	1.6
239.07025	12.0
242.05820	3.9
243.10188	6.9
245.08025	9.7
247.07329	1.6
253.08609	5.0
257.08112	100.0
259.16772	6.1
263.07095	2.6
263.51337	1.5
265.08609	14.0
267.10156	2.5
319.09241	1.6
332.80560	1.6
333.11316	2.3
347.09146	2.8
357.11661	2.0
359.08932	4.1
361.10837	4.4
363.08521	2.8
367.15326	3.3
371.09183	7.7
373.10934	3.8
375.08490	3.6
376.04718	1.7
377.06033	2.2
377.10226	3.6
378.10736	1.9
387.08276	2.1
387.12625	3.2
389.10059	3.0
390.10812	1.9
393.09436	16.6
393.13953	2.7
393.20923	2.2
399.08554	2.5
401.09982	3.1
403.11636	2.5
405.13303	7.4
407.11322	3.9
411.14407	7.1
413.10272	2.5
413.17120	14.8
415.11813	30.0
415.17734	2.6
416.12881	3.3
417.09454	5.1
429.13388	3.9
430.14203	13.8
431.12155	3.1
431.18225	11.8
432.11801	2.2
433.12836	12.4
447.14172	19.5
509.16000	21.2
563.39471	1.8
575.93744	1.8
582.38287	2.1
605.18341	2.9
617.18030	7.1
619.19739	3.0
621.21259	5.1
631.18378	3.5
631.27362	4.0
635.19141	19.0
649.19452	23.8
649.28363	6.5
667.21271	17.7
667.30963	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	665.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01864	0.6
57.03421	0.8
61.02923	0.4
65.03931	1.3
67.05511	0.8
68.99820	0.4
69.03432	3.7
70.48554	1.0
71.05007	0.3
72.08140	0.4
73.02911	0.5
78.04717	2.2
79.05489	1.1
81.03420	2.6
81.07054	0.6
82.04180	0.5
85.02907	5.1
85.06518	0.4
87.00826	0.4
87.04458	0.5
91.05512	1.7
95.04956	1.2
96.35760	0.4
97.02913	2.2
97.06520	0.9
99.04461	0.9
103.05463	1.2
105.07056	0.5
106.04187	1.4
107.04957	1.8
109.02898	2.2
110.03655	0.7
115.05446	3.6
117.07004	4.7
119.08572	0.5
121.10130	0.8
122.03629	0.8
123.04430	5.5
123.52563	0.3
124.05231	1.7
125.06002	0.4
127.03936	3.1
127.05434	1.0
131.04903	0.5
133.10118	1.4
137.05992	0.6
142.02650	0.6
144.05704	0.6
145.05185	0.5
145.06491	8.6
145.10164	0.5
147.08096	0.6
147.11678	0.4
151.03865	1.3
152.04669	1.6
153.05490	0.5
155.06070	3.8
159.02997	0.4
161.06084	0.5
167.07048	100.0
168.07387	0.9
171.06612	0.9
173.06001	18.5
173.13235	0.8
175.07527	0.9
181.04970	23.6
187.05974	0.7
187.07521	0.5
188.50320	0.4
191.07146	0.7
191.14375	0.9
195.06564	0.8
201.05502	1.1
203.07133	0.6
204.12343	0.5
205.08624	3.9
207.06416	0.5
207.10051	0.4
217.08557	1.0
221.08009	0.4
231.10387	0.4
233.08069	5.2
235.09619	3.5
245.08177	1.0
259.09741	0.5
263.09183	0.8
275.09021	0.8
277.10883	0.6
285.07458	0.6
337.10446	0.7
339.12296	0.6
367.11774	1.3
369.13385	1.1
371.15073	0.3
381.13379	0.7
383.14902	0.6
387.14389	9.9
395.14938	1.5
399.14432	3.1
411.14087	0.5
417.15472	22.9
418.16092	0.6
423.14493	0.6
441.15610	1.1
459.16467	1.8
491.61273	0.4
548.80804	0.4
579.20563	0.8
621.21448	1.4
665.20703	17.8
665.30243	0.7
666.20813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01854	0.7
60.27528	0.4
65.03934	1.2
67.05495	0.5
69.03435	3.7
69.64260	1.5
69.64695	1.0
70.06577	0.4
71.04991	0.5
73.02898	0.8
78.04711	2.2
79.05474	1.2
81.03416	2.9
81.07032	0.6
82.04241	0.4
85.02908	4.3
87.00834	1.1
91.05475	0.8
93.03400	0.7
95.04981	1.0
95.73735	0.4
97.02877	1.5
97.06549	0.6
99.04439	1.2
103.05453	1.4
104.90556	0.4
106.04140	1.5
107.04977	2.1
109.02863	1.9
111.04430	0.6
115.05461	3.8
117.07024	5.6
119.08592	0.5
123.04437	6.6
124.05216	2.4
125.05981	0.4
127.03930	2.7
127.05421	1.0
131.04938	0.4
134.03618	0.6
137.05989	0.5
143.04897	0.7
145.04935	0.6
145.05122	0.6
145.06493	9.7
147.08018	0.4
151.03877	1.5
152.04675	1.9
153.05492	0.9
155.06049	3.9
161.05988	0.5
167.07051	100.0
168.07379	1.2
171.06554	1.2
173.05994	17.7
175.07610	0.8
177.05530	0.4
181.04968	27.3
182.05110	0.4
187.06027	0.5
187.07591	0.7
190.06296	0.6
191.07047	0.5
195.06577	0.5
201.05444	1.0
203.07103	0.4
205.08606	4.2
207.06526	0.8
207.10034	0.4
217.08624	1.0
233.08087	5.8
235.09676	4.0
245.08002	0.9
253.64758	0.4
259.09689	0.6
263.09198	0.7
271.05945	0.5
275.09207	0.7
277.10928	0.7
297.07434	0.4
305.10318	0.5
317.26379	0.4
337.10831	0.5
339.12393	0.6
367.11801	1.2
369.13336	1.7
381.13351	0.8
383.15079	1.0
387.14392	10.9
395.15048	1.2
396.55023	0.4
399.14502	3.0
411.14505	0.9
417.15485	19.9
423.14597	0.5
438.88647	0.4
441.15509	1.5
459.16589	1.9
539.31934	0.4
579.20880	1.0
621.21985	2.2
665.20758	19.2
665.29187	0.7
666.21283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78485	4.0
51.48829	3.4
53.03936	6.0
53.13887	4.1
55.05514	26.5
55.26002	4.5
57.03443	21.4
57.07079	20.6
65.03933	4.6
67.05173	6.8
67.05510	90.5
69.07071	34.2
71.04996	8.2
71.08630	16.6
71.58392	4.9
77.44404	3.9
77.50204	3.6
79.05493	62.8
81.07063	100.0
83.04945	4.3
83.08607	23.0
85.06538	8.0
91.05498	61.5
93.07051	65.4
95.04975	11.7
95.08612	81.4
96.13591	4.3
97.06548	5.2
97.10145	4.1
99.08094	17.8
105.07029	49.8
107.08591	39.6
109.06519	9.6
109.10173	35.7
111.08077	5.5
117.07024	22.3
119.08578	40.0
121.10146	27.8
123.11707	9.6
125.09602	5.5
128.06238	5.8
129.07016	9.5
131.08597	27.0
133.10129	31.1
135.08095	4.9
135.11678	19.0
143.08536	10.3
145.10109	31.5
147.11671	25.2
149.09566	5.1
149.13239	14.7
157.10155	8.8
159.11693	22.6
161.13254	8.5
163.11198	4.3
163.14851	9.0
165.12831	5.4
171.11629	5.1
173.13219	8.8
177.12941	4.1
185.13217	12.8
187.14830	7.3
203.14273	8.2
241.19608	4.8
253.18076	4.1
257.19028	6.8
261.22049	5.0
265.12314	4.7
275.20084	18.7
277.21643	7.4
279.23212	11.9
308.24176	5.2
327.07950	10.6
333.23798	4.6
335.25702	7.0
337.27423	35.3
349.23810	13.5
351.25226	12.9
353.27124	10.4
381.08542	4.9
383.13947	7.6
384.14401	5.6
496.26962	6.1
500.77618	4.5
552.33191	5.4
611.46405	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	664.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.0
55.05521	7.7
57.03439	2.2
60.06932	1.0
67.05512	18.1
69.07070	5.8
71.57874	1.6
79.05501	15.0
79.16985	1.0
80.22626	1.0
80.99685	1.2
81.07066	37.1
82.63033	1.2
83.04984	2.6
83.08603	4.3
87.04417	1.5
91.05502	9.0
93.06543	1.6
93.07064	17.3
95.04973	1.8
95.08611	18.2
97.06544	1.3
105.07051	7.2
107.08599	10.4
109.06535	12.5
109.10134	6.2
111.04456	14.5
117.07016	2.5
119.08605	9.7
121.10149	7.1
123.08083	2.0
123.11718	2.7
125.05988	4.2
130.64362	1.1
131.08588	5.1
131.95813	1.1
133.10150	6.2
135.08064	2.6
135.11711	6.8
137.05988	100.0
137.13278	1.2
145.10136	3.2
147.08031	2.1
147.11662	6.5
149.09610	4.3
149.13223	1.7
151.07526	3.7
157.10123	1.6
159.11693	2.2
161.09618	6.7
161.13293	3.7
163.11191	3.3
165.80820	1.3
171.11717	2.6
175.11201	5.1
175.14890	1.8
185.13274	1.6
189.12666	1.4
193.12347	1.2
195.08324	1.1
201.65495	1.1
203.07001	3.1
203.18150	5.3
203.19727	1.4
213.16397	2.8
223.26225	1.1
231.17517	7.5
231.19441	1.7
243.10057	1.5
249.18484	5.5
261.22083	1.3
277.18011	51.1
278.18384	1.1
295.19113	8.4
335.25812	30.3
351.21744	16.7
369.22604	1.3
443.89929	1.1
514.39532	1.2
543.80756	1.3
611.43115	51.1
612.43140	3.2
629.43872	1.8
664.47052	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03162	0.3
53.23892	0.3
53.70424	0.2
57.23437	0.3
65.03952	1.2
66.94016	0.3
67.05495	1.1
69.03414	0.4
69.56078	0.8
69.56490	1.0
79.05489	0.4
80.02608	0.3
91.05479	0.9
95.04356	0.5
95.04971	9.8
105.07040	0.4
106.22124	0.3
108.02125	1.4
115.05459	0.9
117.07038	0.4
119.08588	0.5
121.06541	1.7
123.04427	1.5
128.91539	0.2
129.06984	0.3
133.06488	0.4
135.04422	1.6
136.01570	0.5
141.05441	0.3
143.04935	0.4
145.06525	0.8
147.04387	0.3
147.08052	0.9
148.05272	0.3
149.02382	0.4
151.03909	100.0
152.04254	1.0
154.71893	0.2
161.02301	0.6
161.05972	0.4
161.54820	0.3
165.07025	0.6
175.07552	1.1
178.07768	0.6
179.08583	0.6
181.06496	0.6
183.08041	0.6
185.05995	0.6
187.03934	0.4
187.07562	0.4
189.05424	0.3
190.07764	0.6
191.08600	0.8
192.09386	0.4
194.07399	0.5
195.08069	0.8
196.08748	0.8
197.09633	0.7
200.08389	0.5
201.09134	0.6
202.07849	0.8
203.07036	7.4
207.08086	0.5
208.08810	1.3
209.09593	1.6
211.07527	0.9
212.08305	0.4
213.09032	0.3
215.10629	0.6
218.07278	2.5
219.08009	0.7
220.08823	0.5
221.09595	0.6
222.10452	0.7
223.11197	1.8
224.08278	2.2
225.09158	1.1
226.09763	0.4
227.10646	0.5
228.07758	0.4
233.09651	1.7
235.07622	0.4
236.08389	0.6
237.09123	0.8
239.07092	0.5
239.10678	10.6
240.11209	0.6
241.08653	0.4
241.12222	1.5
243.10182	3.3
246.06828	2.1
249.09047	0.4
250.09875	1.3
251.06966	0.3
251.10693	3.4
253.08595	1.8
255.10201	0.6
255.13843	1.6
257.08127	0.4
261.09088	2.9
265.08823	0.8
265.12234	1.5
266.09387	0.6
267.10190	2.4
268.10962	0.6
269.08087	0.3
269.11771	1.3
271.09631	4.0
277.08789	0.5
278.09329	0.5
279.10162	1.0
280.10873	0.3
281.11761	1.0
283.13287	4.9
291.10056	0.3
293.11716	3.9
309.11282	1.7
311.12775	25.7
312.13058	0.5
337.10577	0.5
396.96262	0.3
409.14236	0.5
435.16013	0.5
453.17255	0.6
461.15994	0.3
463.15442	0.3
465.13443	0.3
467.18686	2.5
481.16232	0.5
485.19562	0.7
495.18069	11.3
496.18500	0.5
511.17920	0.3
513.19141	32.0
514.19348	1.0
663.22064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75751	4.9
53.03933	10.9
55.05517	32.6
57.03423	16.6
57.07069	16.9
58.75382	5.4
61.36317	4.9
63.80628	4.5
65.03951	5.8
67.05174	6.4
67.05511	100.0
69.03413	7.9
69.07079	32.1
71.04996	6.3
71.57732	7.2
71.58112	6.5
79.05059	6.4
79.05495	83.2
81.02208	4.7
81.07065	97.0
83.04988	12.4
83.08614	21.3
83.83747	4.7
85.41045	4.3
87.03996	6.3
87.04480	73.1
89.06010	5.3
91.05488	78.7
93.07046	90.5
95.04967	8.2
95.08611	55.3
97.06515	7.4
97.10161	22.7
105.07037	45.9
107.04915	6.6
107.08602	92.3
109.06507	14.0
109.10139	33.8
117.07014	19.5
119.08587	53.2
121.06526	5.2
121.10151	36.5
123.08067	5.5
123.11674	7.1
125.09647	25.8
129.06979	7.6
131.08598	27.5
133.10092	30.2
135.08025	9.3
135.11714	14.4
139.11250	5.1
143.08545	8.5
145.10130	36.6
147.11682	32.4
149.09741	5.2
149.13258	11.6
157.10103	12.2
159.11690	26.5
161.13243	12.9
163.14876	6.0
171.11638	6.7
173.13275	12.6
175.14906	7.6
177.01749	4.7
183.11809	6.4
185.13318	11.8
189.11211	19.8
191.14020	5.2
219.17456	10.3
227.12755	50.2
243.20999	6.3
257.18954	14.8
261.22104	9.7
267.15894	15.6
275.20139	53.4
277.21701	8.0
315.49161	6.1
335.25815	86.3
349.23843	44.9
394.49142	4.7
405.80426	6.2
505.34967	7.1
535.26703	6.9
602.55109	7.1
609.45227	37.2
622.27350	14.5
627.45148	6.9
662.24646	9.5
662.45215	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	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.8
55.05519	37.4
57.02155	4.4
57.03441	36.5
57.04246	4.5
57.07074	13.4
59.34938	5.9
65.03953	5.4
67.05510	89.0
67.12729	4.8
69.07071	31.3
70.23513	5.0
70.23850	16.9
79.05504	88.5
81.07072	100.0
83.08604	13.8
84.29359	4.8
85.06543	7.4
87.04467	26.7
91.05493	83.1
93.07053	91.1
95.04970	10.0
95.08617	74.5
97.06542	10.3
97.10149	11.3
105.07043	86.5
107.05855	4.5
107.08604	57.6
109.06528	7.2
109.10189	34.3
117.07039	39.8
119.08607	65.4
121.06546	5.0
121.10144	30.6
123.11704	11.6
125.09595	6.6
128.06252	9.4
129.07022	20.0
131.08572	40.5
133.10158	42.2
135.08026	7.6
135.11717	23.7
137.09641	7.5
141.07010	5.9
143.08582	16.6
145.10121	48.2
147.11685	32.0
149.09656	15.1
149.13280	9.7
157.10181	17.5
157.96773	5.0
159.11714	38.1
161.13301	17.0
163.11243	6.4
169.10149	8.4
169.23431	5.2
171.11668	11.3
173.13271	18.0
175.14746	6.2
185.13287	24.2
187.14842	4.9
189.08911	5.1
197.13240	5.3
203.14467	8.8
219.17424	9.2
227.12820	11.2
239.17979	15.2
257.19016	23.2
275.20099	49.4
331.22641	14.0
335.25861	87.6
349.23755	37.0
489.35876	9.8
529.38501	5.9
554.69446	4.8
609.45306	29.8
662.46051	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	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01857	3.0
55.05512	33.4
57.03442	14.8
57.07074	5.6
65.03932	4.4
67.05506	100.0
69.03407	2.9
69.07072	22.1
69.79056	11.5
71.04986	4.0
74.55886	2.1
79.05102	1.6
79.05494	68.2
81.07061	84.3
83.05000	4.7
83.08628	15.2
85.06585	3.2
86.99126	2.3
87.04478	24.4
87.89274	2.8
91.05486	49.9
93.07047	60.7
95.04964	6.9
95.08613	49.0
97.06529	6.4
97.10155	6.9
105.07041	42.2
107.04982	2.6
107.08599	46.4
109.06509	7.6
109.10160	41.0
111.08056	3.9
117.07014	14.0
119.08585	32.0
121.06519	5.2
121.10145	28.1
123.08076	2.7
123.11713	6.6
125.09670	7.8
129.07028	9.8
131.08582	23.3
133.10135	20.4
135.08066	3.9
135.11694	22.4
137.09616	4.2
143.08554	9.2
145.10114	18.5
147.11670	18.2
149.13228	12.8
151.11200	2.8
157.10115	7.7
159.11693	12.8
161.13295	9.0
163.14836	5.5
171.11703	5.4
173.11850	4.0
173.13281	9.4
175.14786	3.9
183.11774	4.9
185.13257	4.8
187.14833	4.6
189.11214	4.7
199.14832	3.8
215.33072	2.2
227.12766	5.4
229.14351	10.4
231.21246	2.9
241.19432	5.3
259.20621	14.0
268.89679	2.3
275.20166	6.2
277.21570	18.3
309.29178	2.4
333.24304	12.5
335.25922	15.1
351.25339	32.6
459.21570	11.4
460.22101	2.3
462.32999	2.5
475.21283	3.1
489.35550	3.3
529.38696	7.9
547.27087	6.7
569.41968	5.3
606.28540	17.9
607.28662	4.6
622.27759	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.0
57.03436	9.0
57.07061	23.5
64.16256	5.8
67.05502	70.0
69.07059	28.6
71.04986	10.6
71.58353	6.6
71.58717	10.3
78.66000	7.0
79.05491	80.8
81.07070	84.5
83.08631	9.9
85.06523	8.9
85.07705	7.3
87.03992	7.6
87.04480	100.0
91.05487	78.2
93.07050	86.7
95.04916	10.9
95.08623	49.2
97.06508	13.0
97.10180	8.1
105.07039	86.1
107.08600	54.8
109.06503	11.7
109.10159	30.3
117.07025	25.8
119.08592	56.3
121.06497	10.2
121.10143	29.1
123.11707	10.3
129.07031	14.8
130.67656	6.7
131.08556	35.0
133.10141	48.9
135.11688	25.9
137.05916	12.1
143.08543	14.5
145.10052	36.7
147.11710	33.5
148.49397	8.1
149.09686	8.0
149.13216	16.6
151.07552	8.4
157.10114	12.6
159.11717	23.0
161.13229	11.1
169.10114	6.7
171.11696	18.6
173.13252	12.6
175.14845	14.7
185.13196	7.8
187.14801	8.6
194.31686	8.0
199.14862	8.6
201.16353	7.4
203.07108	16.9
203.17918	8.0
215.90999	7.0
241.19499	13.5
259.20584	37.8
277.21805	16.6
314.59848	7.6
333.24213	42.5
351.25195	24.7
412.78571	7.1
609.45093	23.8
625.89136	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	662.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88420	1.0
57.07062	1.4
57.34955	0.9
63.58154	0.9
67.05476	1.3
71.16325	1.8
71.16680	0.9
79.05486	1.5
80.60870	0.8
81.07040	1.9
87.04476	10.0
93.07037	1.0
95.08570	1.1
105.07056	1.0
107.47443	0.8
121.84393	1.2
161.14569	0.9
179.93146	1.0
184.66486	1.0
389.17917	1.4
403.19260	3.5
404.20724	1.0
415.19174	1.4
417.20621	4.0
418.17569	2.3
419.18130	1.4
429.16376	1.8
430.17670	1.4
431.18158	6.0
433.24316	7.1
444.19324	6.0
445.20297	7.3
446.17450	3.8
447.17383	7.4
454.69897	1.1
459.21832	51.3
460.22888	10.8
461.23218	6.7
462.20227	2.8
473.23334	3.2
475.21335	24.9
476.21991	3.6
477.22903	3.4
487.20453	1.5
487.25687	1.4
489.23343	2.1
519.23993	9.0
529.01221	1.1
531.23920	4.7
532.24609	1.6
533.21765	3.9
535.23071	5.3
545.25433	7.6
546.26025	1.8
547.27325	28.7
548.25092	1.2
559.22839	1.3
562.25659	2.3
563.26404	7.4
564.26984	1.1
574.25604	2.0
576.24017	2.4
590.25208	2.3
591.25854	4.3
593.23816	8.7
594.28473	2.0
602.27954	2.1
605.27423	4.0
606.28381	100.0
607.28961	8.6
622.27850	85.1
622.42828	1.5
623.28168	3.7
630.26514	3.3
647.28107	1.4
662.29688	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	662.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46077	1.2
52.02840	1.1
81.47913	1.0
87.04482	9.2
91.05480	1.1
123.39176	0.9
124.65714	0.8
185.54631	1.3
223.12355	1.1
231.71135	1.2
251.11926	1.1
267.15002	1.1
396.47562	1.0
403.19424	2.2
405.21072	1.0
414.18549	1.2
416.19504	1.3
417.20795	3.0
429.16711	2.2
430.22040	1.5
431.18506	3.6
432.19223	1.6
433.24417	8.0
444.19458	4.2
445.20264	4.8
446.17334	3.7
446.22137	1.3
447.17343	5.6
448.21585	1.2
459.21820	49.1
460.22870	8.7
461.24161	7.2
473.23306	2.7
475.21292	20.8
476.22015	4.6
477.22653	4.4
487.21170	1.4
487.25235	1.6
489.22882	1.7
490.23914	1.3
503.24744	2.3
505.26013	2.0
506.19525	1.4
519.23822	9.6
521.25110	1.5
531.23895	4.2
533.21204	4.7
535.22913	5.2
545.25446	5.6
546.26111	3.1
547.27356	26.1
548.27167	1.3
549.24982	1.9
561.21265	1.8
562.25806	3.0
563.26678	8.7
574.25519	2.0
576.23846	1.4
590.24994	3.1
591.25861	3.6
593.23688	9.1
602.27686	2.9
605.27246	6.0
606.28394	100.0
607.29132	6.0
622.27893	92.2
622.36603	1.2
623.27966	3.7
630.26794	3.4
662.20673	1.3
662.29993	17.7
685.78149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28481	1.6
53.03938	7.1
55.01869	5.0
55.05516	16.0
57.03439	21.2
57.07066	4.2
61.02931	75.9
65.03925	2.1
67.05511	48.0
69.03072	2.2
69.03434	36.3
69.07066	17.3
71.01350	2.7
71.04985	7.0
73.02924	24.7
73.82116	1.7
75.04496	1.6
79.05503	16.9
81.03425	24.5
81.07063	49.9
83.04986	5.5
83.08636	9.3
85.02910	100.0
85.06535	1.9
87.04461	4.5
91.03962	57.1
91.05476	16.6
93.07053	18.2
95.04971	4.3
95.07979	1.6
95.08609	39.9
97.02899	77.0
97.06516	3.6
97.10162	7.0
99.04442	12.5
99.08179	1.8
101.02374	7.6
102.45387	1.5
103.03969	8.1
103.57647	1.5
105.07021	12.7
107.04916	1.9
107.08599	11.2
109.02881	12.6
109.06519	2.4
109.10167	18.6
111.04419	2.4
111.08066	1.8
111.11748	1.8
115.03923	6.9
117.05508	3.3
117.07038	2.7
119.08594	8.9
121.06494	1.9
121.10157	10.3
123.04441	1.9
123.08053	1.5
123.11739	9.6
125.09598	2.0
127.03917	36.8
129.05447	5.1
129.07010	2.0
131.04941	1.9
131.08527	4.7
133.10149	9.0
135.11713	7.8
137.05998	2.0
137.09627	2.3
137.13245	3.4
143.08588	1.5
145.04984	22.7
145.10135	5.2
147.11720	7.8
149.13333	3.7
151.03886	2.1
151.11119	1.7
151.14790	3.9
155.06946	1.8
157.10124	2.7
159.11667	3.0
161.13243	4.8
163.06021	7.0
163.14778	3.5
169.10175	1.6
171.11745	2.1
173.13264	2.2
175.14900	3.0
177.16399	2.1
183.06537	12.0
187.03917	1.8
187.14740	1.6
189.16434	2.0
201.07602	7.4
203.07011	3.8
207.06491	1.8
218.60088	1.8
231.06458	2.1
242.17972	1.6
245.22633	9.3
251.07080	2.5
253.08757	2.5
263.23697	17.5
269.08179	2.4
295.05951	3.0
305.24786	3.5
329.24768	2.5
335.09378	1.9
337.27383	82.0
338.27884	2.7
353.24850	3.3
357.73407	1.5
365.13831	13.4
365.26477	2.0
371.25925	4.8
377.72476	1.7
435.36682	1.6
445.29480	4.4
463.30475	3.9
481.31427	10.0
635.10425	1.7
661.38049	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	661.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
60.32221	0.8
65.03846	0.8
67.05486	1.5
79.05487	2.6
81.07053	0.9
82.06571	1.8
85.02911	1.0
86.92283	0.8
91.05482	1.7
93.07039	5.3
94.06577	8.9
95.04957	1.1
95.07345	4.7
96.08141	15.0
97.06515	1.7
103.05456	1.0
106.06580	1.3
108.08114	8.3
109.08897	1.3
110.09685	26.8
113.10223	0.8
116.04977	3.4
120.04481	5.3
120.08100	18.4
121.06458	1.0
122.06018	2.9
123.06775	1.3
124.07604	8.3
128.50786	1.0
134.06035	1.7
135.06892	1.0
136.07587	8.9
138.05498	3.7
138.09143	36.3
144.04466	5.3
146.06000	3.9
148.03874	1.3
148.07590	6.0
152.07040	0.9
160.03949	3.1
162.05484	3.4
164.07048	1.9
166.04970	2.4
166.08641	62.2
172.03938	32.4
172.05428	1.9
174.05551	1.3
176.07065	1.3
178.05040	1.8
184.36292	0.9
190.04988	13.3
197.10776	1.3
204.06558	12.5
209.10703	2.4
211.08646	1.1
212.09499	2.7
213.10110	1.0
216.06534	1.2
222.11600	1.3
223.08577	1.1
224.09508	3.2
225.10243	4.4
227.11774	3.3
235.08600	1.8
236.09305	2.1
237.10210	11.4
238.10989	2.2
239.08125	1.8
239.11771	3.9
241.09767	3.7
245.12880	1.4
247.14357	2.8
248.09398	0.9
249.10258	1.9
251.08192	2.0
251.11780	7.6
252.08821	2.6
252.12604	1.0
253.09700	7.4
253.12093	1.1
253.13153	1.0
255.11382	2.1
257.13004	0.9
263.11734	1.6
264.08826	1.9
265.09717	17.3
266.10599	2.6
267.11389	4.9
268.08301	1.4
269.12952	1.7
271.10757	3.2
273.12405	7.5
274.40903	1.1
278.06686	4.3
279.11368	9.9
280.08551	2.0
280.11835	1.3
281.09323	1.8
281.12869	3.7
283.10825	6.0
284.11588	1.0
285.12314	2.9
287.13901	1.3
289.09692	1.2
292.08368	1.1
293.09250	16.3
294.09955	3.8
295.10501	1.4
297.12399	7.3
299.10199	3.5
300.11176	2.0
307.10751	3.7
309.12402	4.5
311.10205	2.6
312.11060	4.2
313.11969	5.2
323.10251	1.5
325.11859	18.7
335.10193	7.7
340.10645	2.2
341.07480	1.4
341.11365	17.6
353.11349	10.9
357.14417	4.4
373.13855	7.7
385.13971	4.4
398.14725	1.6
399.15552	1.4
416.15707	1.4
434.20996	1.7
437.19479	1.3
444.19229	1.2
446.16711	1.0
458.16763	2.1
460.18524	2.7
462.20218	2.3
465.18915	8.8
478.19849	5.5
488.18240	9.6
506.19238	100.0
507.19443	3.6
520.20703	2.2
521.21338	2.6
538.21777	14.0
611.25305	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	661.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.8
61.03320	1.7
65.03951	1.8
67.05495	1.8
69.03439	4.2
71.58241	1.9
79.05492	3.5
81.03425	1.7
81.07060	3.3
85.02921	5.8
91.05477	3.9
93.07045	3.9
94.06564	4.8
95.07372	2.4
95.08625	1.8
96.08134	5.3
97.02908	4.4
103.05470	1.9
103.44453	1.6
105.07047	3.0
106.06564	3.4
107.07350	12.2
108.04535	2.1
108.08118	41.8
110.09682	5.8
116.04987	7.2
119.08583	2.0
120.04472	5.5
120.08120	9.6
122.06060	3.6
122.09660	22.1
127.03922	3.9
132.08130	1.9
136.07597	7.1
138.09138	15.3
144.04480	9.3
146.06020	9.1
148.03969	2.0
148.07581	6.6
150.09151	54.5
150.10327	3.8
152.07143	2.5
160.03957	3.2
162.05544	4.3
166.08626	8.5
172.03952	28.9
174.05534	6.1
176.07118	4.7
177.05478	4.0
179.07031	2.1
190.04985	26.8
191.07118	2.9
192.07878	3.2
197.10754	2.7
198.09157	3.5
199.08665	3.6
204.06567	41.7
208.83826	1.8
211.08731	2.5
213.10258	3.3
214.11093	2.2
215.11815	4.4
223.08633	2.0
224.09492	2.0
225.10283	4.2
226.08655	2.3
227.11757	3.6
228.08904	2.2
229.09601	2.2
229.13240	1.7
236.09470	3.3
237.10269	8.9
238.10831	3.4
239.08092	2.4
239.11769	3.8
241.09775	5.4
243.11292	24.0
249.10358	5.4
251.08142	2.3
251.11784	4.4
252.08847	2.7
253.09750	6.3
253.13364	3.2
255.11301	1.7
257.12878	8.6
264.08942	4.0
265.09790	9.5
265.13419	2.0
266.10675	2.5
267.11295	4.5
269.09106	6.2
269.12912	1.9
271.10803	4.5
273.12326	5.6
277.09784	5.0
279.11279	5.7
281.09531	3.2
281.12857	12.9
283.10718	7.5
283.14401	6.8
285.12354	45.9
287.10181	10.1
291.11218	2.8
293.09109	4.3
294.09656	1.9
297.12338	4.6
299.10443	2.9
299.14172	2.2
301.11948	4.7
302.12921	2.1
303.10016	3.7
303.13419	59.3
307.10681	2.5
309.12332	49.6
311.10358	4.2
311.13956	7.5
313.11932	5.5
316.14499	2.5
323.10190	10.3
325.11911	4.6
327.13745	7.9
328.14514	2.7
329.11490	2.8
330.12442	3.2
330.16193	1.9
337.11700	2.3
341.11404	5.5
341.15118	4.7
342.12341	4.3
343.13275	3.1
344.14090	4.1
346.15579	2.1
347.16074	2.0
353.11371	3.1
354.12317	3.3
355.13135	3.1
356.14014	2.6
357.14896	2.8
358.15744	8.5
359.16299	1.8
367.12708	2.3
368.14111	2.7
370.11743	3.8
371.12567	7.3
372.13400	5.9
373.13995	8.9
374.14932	4.8
381.11044	4.0
382.16116	2.6
383.12656	2.4
385.14227	3.3
386.15036	17.7
387.15909	9.1
395.14948	2.2
398.14999	1.9
400.16925	1.9
401.13840	2.1
402.14182	3.5
404.16043	9.8
406.17624	3.3
410.14890	2.1
412.16113	3.0
413.16010	9.1
414.14554	22.3
415.15289	32.6
416.15860	3.7
418.17462	2.6
420.15399	3.7
427.14767	1.8
428.15833	4.9
430.17590	7.1
432.15585	15.9
438.14771	3.1
444.15244	2.4
446.17163	6.4
456.15521	10.1
462.16711	11.2
474.16614	82.1
475.16965	2.6
478.20190	2.2
488.18256	4.5
490.19806	6.0
494.19101	2.0
504.21307	3.1
506.19101	25.4
538.21906	3.6
569.23981	6.5
583.25336	7.5
593.23938	16.4
611.25128	100.0
612.25629	3.5
625.25977	4.4
629.25659	3.5
643.27020	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	661.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25838	1.1
51.99408	0.9
61.98017	1.1
62.62906	0.9
65.03938	2.3
67.05502	2.6
69.03411	1.5
69.46668	8.2
78.79626	1.0
79.05493	2.4
80.05012	1.5
81.03395	1.1
81.05793	1.2
81.07050	2.0
85.02927	1.1
89.03909	1.8
91.05477	1.5
93.05751	1.2
93.07032	3.7
94.06570	6.0
95.04990	1.6
95.07317	1.7
95.08594	1.7
96.08138	2.9
105.06995	2.0
106.06526	2.5
107.07339	8.4
107.08588	1.3
108.04445	1.7
108.08123	14.0
109.10153	1.7
110.09682	5.9
111.25317	1.1
116.04991	6.7
120.04469	3.7
120.08099	7.4
122.06031	5.9
122.09669	13.8
122.45232	1.0
134.06001	3.8
135.06763	1.6
136.07559	3.4
138.09151	7.1
142.84660	1.1
144.04480	9.6
145.10135	1.6
146.05995	7.5
148.07562	3.4
150.09146	29.0
152.07074	1.4
160.04004	1.7
160.07564	1.5
162.05515	5.1
164.07140	1.3
166.08646	9.9
172.03940	56.2
174.05486	4.3
176.07053	3.6
177.05501	1.7
181.04868	1.2
185.10690	1.8
188.07022	1.2
190.05009	9.8
197.10716	2.0
199.08633	2.5
201.10175	1.4
204.06567	100.0
205.06837	1.5
210.11520	1.1
211.08623	2.6
212.09401	1.6
213.10225	4.6
214.10971	2.2
215.11844	4.0
222.11609	1.3
223.08769	1.3
224.09428	2.2
225.10255	4.6
226.08559	1.4
226.10881	1.2
227.08058	1.1
227.11833	2.6
229.13303	1.5
236.09396	1.7
237.10223	5.4
238.11023	2.5
239.08118	1.8
239.11763	2.5
241.09700	3.2
243.11310	18.1
249.10280	4.3
250.10986	2.1
251.08182	2.6
251.11768	3.1
252.08963	3.1
253.09677	3.2
253.13234	1.6
255.11259	4.0
257.12811	6.8
261.99243	1.1
263.08176	1.5
263.11789	5.1
264.08890	3.5
265.09677	5.6
266.10333	2.4
267.11246	4.3
269.09192	3.1
269.12845	1.9
271.10788	3.5
273.12253	2.0
277.09821	3.3
278.10236	1.5
279.11194	4.7
281.09894	1.4
281.12897	8.7
282.10162	1.4
283.10779	7.0
283.14395	5.7
284.11508	1.8
285.12302	12.4
287.10284	5.9
291.11343	2.0
293.09177	2.0
295.10641	3.7
296.11093	1.3
297.12360	7.4
299.10126	2.6
299.14087	1.6
301.11850	3.9
303.13403	70.3
304.14114	1.5
307.10736	1.6
309.12323	17.9
310.12894	1.2
311.10544	1.9
311.13940	5.2
313.11880	1.2
314.13190	1.2
316.10782	2.1
316.14349	2.5
323.10184	6.1
325.11786	8.6
326.12674	2.3
327.13382	4.2
330.12396	3.5
332.13879	1.1
337.12042	1.9
340.14313	1.3
341.11539	2.1
341.15036	21.6
342.12253	2.0
343.12985	10.0
344.13907	4.6
346.15234	3.2
347.16409	1.3
354.12228	1.5
355.12955	5.5
356.13773	2.2
357.14606	2.2
358.15512	4.3
368.14047	1.7
369.14999	2.1
370.11526	2.5
370.15805	2.0
371.12720	3.6
372.13370	3.8
372.17508	1.5
373.13840	4.2
374.14819	3.0
375.15491	1.6
376.17142	1.4
384.13071	1.7
385.14462	3.3
386.10559	1.2
386.15067	11.9
387.15689	9.6
399.15909	1.3
400.12354	1.4
400.16788	1.1
402.14166	2.1
404.15872	5.1
406.17621	1.9
410.14764	1.5
412.16812	2.1
413.14490	1.4
414.14417	13.8
415.15295	25.6
416.15625	2.1
418.17557	3.4
420.15237	3.3
428.15955	2.4
430.17633	5.3
432.15195	13.0
437.13062	1.2
438.15143	1.3
446.17200	5.7
448.18732	3.6
456.15659	7.7
458.16870	2.3
462.16412	5.0
464.17786	2.0
474.16595	51.7
475.17160	1.4
476.18198	6.3
478.19165	1.3
488.17728	1.7
490.19495	4.0
496.20694	4.9
506.19232	25.5
507.19510	2.3
508.20816	14.2
538.21155	1.2
539.22528	2.5
567.25946	1.9
569.24292	5.2
583.25568	4.9
593.23944	7.9
611.25024	78.1
612.24701	2.4
625.26611	2.3
643.27136	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13239	1.1
65.03954	1.8
67.05508	1.7
67.38251	1.5
69.87992	2.5
69.88396	4.5
71.12475	1.2
80.04991	2.0
81.07067	1.3
85.02889	1.4
89.03914	2.4
91.05540	1.4
93.07060	1.2
94.06545	3.8
97.99694	1.2
98.20779	1.4
105.07046	2.5
106.06547	2.8
107.07318	10.2
108.04445	2.1
108.08123	35.2
108.08861	1.8
109.06580	1.6
116.04988	5.8
120.04490	4.7
120.08112	4.7
122.06054	2.3
122.09672	21.3
133.10223	1.4
134.06053	2.2
135.06816	3.1
136.07591	3.2
144.04454	9.2
146.06007	10.1
147.08034	1.7
148.07559	2.9
150.09151	48.2
152.07100	1.3
157.10210	1.2
160.03923	3.7
162.05542	2.4
162.86462	1.2
167.07062	1.9
172.03949	25.5
173.04414	1.4
174.05527	3.7
176.07057	5.2
179.07022	1.6
185.10838	2.1
190.05002	21.9
197.07022	1.7
198.09244	1.9
203.07030	2.0
204.06566	40.0
212.09398	2.5
213.10190	3.9
215.11795	4.0
219.06570	2.6
221.10449	1.4
223.08826	1.6
224.09502	2.4
225.10249	4.2
226.06435	1.6
226.08643	1.9
226.11131	1.2
227.11819	2.0
229.08620	4.2
229.13240	2.1
236.09435	1.7
237.06557	1.4
237.10251	4.6
238.11006	2.2
239.11911	2.3
241.09686	3.0
241.13351	2.5
243.11311	21.1
249.10210	3.7
250.11003	1.4
251.08067	2.3
252.08708	1.9
253.09709	2.5
253.13495	2.0
255.11194	1.6
256.11972	2.0
257.12946	7.3
263.08289	2.4
264.08887	2.9
265.09808	4.4
266.10550	2.0
267.11362	1.8
269.09259	5.0
271.10825	3.6
273.12405	3.1
277.09784	4.3
279.11255	1.5
281.09695	1.8
281.12744	8.6
283.10776	9.0
283.14444	3.7
284.11523	1.9
285.12329	39.9
287.10248	6.5
291.11285	1.7
295.10699	2.2
297.12448	4.0
299.10437	1.9
301.11868	4.3
302.12933	2.4
303.13422	54.3
304.14224	1.3
305.09128	1.5
309.12344	45.2
311.10596	1.8
311.13907	7.1
314.12692	1.9
316.10986	2.8
316.14365	2.3
323.10321	6.9
326.13214	1.6
327.13382	5.0
328.11008	1.6
328.14749	1.6
329.11301	3.8
330.12338	3.9
330.16260	1.9
331.13174	1.7
340.14487	2.7
341.15201	8.0
342.12418	2.3
343.13272	2.5
344.13983	4.1
345.14621	1.5
346.15527	3.6
353.10995	1.7
354.12222	2.5
354.16132	1.4
357.15594	1.5
358.11731	1.7
358.15457	6.9
359.16461	1.7
368.13934	3.4
369.14932	1.7
370.11792	3.8
370.16116	2.0
371.12830	4.1
372.13449	5.6
373.13968	1.9
374.14926	4.2
382.15387	2.6
384.13153	2.5
384.17615	1.5
385.14514	3.8
386.15039	14.9
387.15515	5.2
396.13568	2.6
400.12430	1.8
400.16876	1.9
402.14310	3.9
402.18686	2.1
404.16180	8.6
406.17618	1.9
410.14856	2.0
412.16708	1.9
413.16159	21.2
414.14633	17.7
415.15338	27.7
416.15704	2.1
418.17410	2.3
420.15527	4.3
427.14917	1.6
428.16074	5.0
430.17609	5.8
432.15582	17.9
438.15234	3.7
444.15393	3.7
446.17007	5.2
456.15549	12.0
462.16663	11.6
474.16638	84.7
475.16757	2.2
488.18051	3.9
506.19351	16.5
565.24640	1.7
567.25519	3.4
569.23993	9.5
583.25317	6.4
593.23962	14.2
611.25055	100.0
612.25153	4.1
625.26306	3.0
643.27936	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	661.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01863	1.4
55.05492	0.5
57.03437	1.0
61.02914	0.5
65.03942	0.6
67.05499	0.9
69.03428	5.6
69.07050	0.5
71.46367	0.7
73.02911	0.8
79.05503	2.2
81.03423	5.4
81.07056	1.1
85.02907	8.0
87.00840	3.7
90.95178	0.5
91.05482	2.3
93.03412	0.8
93.07012	1.5
94.04187	0.7
94.06554	0.6
95.04987	1.3
95.08628	0.5
97.02882	3.1
99.04457	1.9
103.05446	0.5
105.01858	2.1
105.03392	0.7
105.07058	0.5
107.04962	2.1
107.08603	0.5
108.05736	1.5
109.02885	4.4
109.06502	1.7
115.05457	0.6
118.04167	1.0
119.04913	0.5
119.08587	0.9
120.08102	0.5
121.06507	3.8
122.03625	0.5
123.08070	0.5
124.05199	3.5
125.05959	0.6
127.03924	6.8
131.04919	1.0
133.02902	2.6
133.06462	1.6
133.10124	0.7
135.04439	4.4
135.08031	0.9
136.05208	2.6
137.02423	0.5
137.05966	1.1
138.09137	1.1
139.07541	11.9
145.04961	1.9
145.06471	0.7
147.04413	3.2
147.08069	1.5
148.05208	2.9
149.02356	4.1
149.05975	1.5
150.06815	0.8
151.03949	0.5
151.07545	18.9
153.05431	0.7
155.07056	0.8
159.02950	1.5
159.04430	4.9
160.05185	0.9
161.02345	4.5
161.06012	4.0
161.09538	0.5
162.06743	3.1
163.03923	4.9
165.05450	2.6
165.09149	1.7
166.08649	1.0
167.03445	2.4
167.07048	10.8
171.04420	10.2
172.04033	0.7
173.06001	1.0
173.13213	0.4
174.06728	0.6
175.03981	0.6
175.07582	2.7
176.04710	1.1
177.04024	1.0
177.05487	14.0
178.06253	15.0
179.07036	32.3
181.04913	0.7
185.09644	0.6
187.03929	1.3
189.05540	0.5
189.09097	4.4
191.07042	22.4
192.07817	48.6
193.08534	4.2
195.06499	0.6
195.08086	2.6
198.06767	3.0
199.03894	1.2
201.05478	0.6
203.07040	11.4
207.06616	0.7
207.10074	2.2
213.09102	22.6
219.06586	1.3
220.07259	1.3
221.08110	4.4
229.08713	0.9
230.49069	0.4
231.05107	0.9
231.10132	9.7
241.08484	4.1
259.09637	1.1
281.08591	0.5
305.11731	0.5
307.09744	0.5
313.10883	0.7
320.10413	0.6
325.10999	0.7
335.09015	0.6
338.07886	2.1
341.10397	1.1
353.10263	5.7
367.15375	1.9
385.16461	1.3
391.96448	0.5
393.13245	0.7
395.14914	38.1
399.15521	1.3
411.13858	0.5
413.15958	100.0
414.16162	2.5
455.16635	2.4
506.19186	1.8
629.25629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55279	2.2
51.39844	2.0
55.05508	3.7
59.06116	3.2
60.68469	2.1
67.05485	4.9
69.07063	11.3
77.60946	2.2
79.05488	7.0
81.07053	10.4
91.05476	6.0
93.07016	6.7
95.01314	2.9
95.08620	6.3
105.07037	5.4
105.53492	2.3
107.08598	6.8
109.06541	2.5
109.10125	8.2
113.23360	2.1
119.08569	4.3
121.06522	2.9
121.10199	3.3
129.07115	2.7
131.08510	3.4
133.10118	3.3
137.05226	2.6
142.07791	3.1
145.06583	2.7
145.10144	3.4
147.04317	2.8
147.08070	2.6
147.11708	4.0
155.08575	2.3
157.10126	3.9
159.08047	3.8
161.02306	4.7
175.07547	5.0
177.05464	9.3
179.06955	3.5
182.07236	2.9
185.05997	3.7
185.09567	5.1
187.03868	2.9
187.07407	3.3
189.09151	5.7
191.07022	8.3
192.07846	7.2
195.08090	2.5
197.09637	8.8
198.06857	4.0
199.07545	3.1
201.09045	4.0
203.07042	100.0
211.07529	6.1
213.09131	15.9
215.10742	2.6
225.09082	14.0
226.09944	6.2
227.07043	4.7
227.10591	4.1
237.09074	3.1
243.10179	24.2
251.07089	4.4
251.10765	3.1
257.08044	2.9
266.31131	2.3
272.73856	2.3
291.17447	3.2
321.22339	3.2
349.21683	9.7
369.11255	3.1
381.24240	32.0
395.12253	2.9
399.15829	5.0
407.22147	3.4
411.14377	10.3
427.15082	4.5
445.16458	53.1
540.25250	2.6
551.27734	5.5
565.29504	8.5
583.30646	24.9
584.28223	4.5
600.27887	8.4
616.31195	11.0
628.27478	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	659.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09681	0.8
59.80235	0.9
60.83496	0.8
67.05486	1.1
70.46656	2.6
79.05502	1.9
81.07050	2.6
85.02913	1.5
91.05484	1.7
93.07037	1.7
94.06582	4.0
105.07036	2.1
106.06559	1.5
107.07339	11.6
108.08167	1.8
109.10210	1.2
111.46936	0.9
121.08884	0.9
121.10155	1.0
122.06027	3.3
122.09679	19.1
122.10460	0.8
127.03832	1.0
131.08574	1.3
135.06815	2.2
150.09152	44.1
193.04985	3.4
211.08600	3.0
221.10831	2.8
234.07791	1.3
235.08675	4.4
236.09509	1.4
237.10323	1.7
238.98891	1.0
241.13258	0.9
247.08720	3.2
248.09494	2.5
249.10240	24.8
250.10954	4.5
251.11800	2.8
253.09811	1.5
261.10349	4.3
263.08203	2.0
263.11752	4.1
264.09262	1.1
265.09741	2.8
269.04446	1.0
275.08142	2.1
276.08994	1.1
277.09772	16.2
277.12579	1.8
278.10522	4.2
279.11276	4.1
281.09213	0.9
287.11151	1.0
289.09634	3.3
291.11307	4.6
293.09357	1.4
300.11395	1.0
302.13248	1.1
304.08569	1.1
307.11130	1.1
309.08954	1.0
309.12225	4.9
310.13196	3.9
311.10974	1.1
313.12503	1.7
314.13019	3.1
315.13608	1.2
321.08578	1.5
323.10284	1.8
324.15039	2.5
326.12976	1.8
326.16656	1.6
327.13919	2.2
328.10852	3.3
328.14511	4.7
329.11960	1.9
329.15628	1.1
330.12521	1.5
335.10318	2.7
337.12375	2.2
338.12921	3.0
339.13623	3.5
340.10745	1.8
340.14584	2.3
341.11758	2.4
342.12384	5.6
342.15887	1.9
343.13123	2.6
344.13910	1.5
346.00000	1.0
352.14532	6.0
353.15149	3.0
354.12378	3.2
354.16104	2.2
355.13232	4.1
356.10226	2.1
356.13977	12.8
357.14584	3.7
358.15564	2.4
365.13885	5.4
366.12491	2.2
367.13156	3.3
368.14188	2.0
369.10925	2.5
369.14740	2.6
370.11545	2.1
370.15842	4.5
371.12521	1.3
371.16614	2.2
372.13113	1.9
372.17050	2.9
380.13824	3.8
381.14813	1.7
382.11703	2.9
382.16034	4.7
383.12769	4.4
384.13306	10.3
384.17459	1.8
385.14099	3.4
385.18408	1.4
386.15128	2.5
397.14270	2.8
398.14960	11.2
399.16129	5.0
400.16815	12.9
401.13745	1.6
402.14615	2.6
408.13516	1.2
410.15051	1.8
412.12845	3.5
413.13690	1.2
414.18161	4.0
416.16061	3.9
417.16797	1.6
425.13733	2.1
426.14612	11.1
428.16025	9.6
430.17999	1.5
442.18146	6.3
443.14941	1.4
444.15448	5.6
454.14047	28.4
458.16913	1.8
460.18976	9.6
472.15076	100.0
473.15311	2.4
474.16684	2.4
486.16815	3.0
492.17581	5.9
504.17401	35.0
522.18713	4.3
536.24207	1.4
581.23987	1.1
591.22638	6.4
595.24878	1.3
609.23486	19.2
613.26215	2.5
623.25079	19.1
627.24084	1.8
641.26062	69.4
642.26215	1.9
659.27643	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	659.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38927	1.2
53.03933	2.6
65.03928	3.0
67.05496	4.9
69.03417	2.1
69.85522	2.5
69.85927	5.3
72.36250	1.0
79.05482	3.1
80.04994	2.6
81.03402	2.3
81.07047	3.7
84.72775	1.3
85.02917	2.8
85.06555	1.4
91.05473	4.5
91.61464	1.2
93.05790	2.3
93.07030	4.3
94.06569	6.8
95.04941	1.4
95.07351	3.1
95.08607	2.4
96.08134	6.7
97.02891	1.6
97.06545	1.6
104.04978	1.0
105.07021	3.9
107.04980	1.4
107.08578	3.1
108.04469	3.2
108.08134	10.3
108.60959	1.0
109.02865	1.4
109.10139	2.1
110.09684	9.1
116.04957	3.6
119.08546	2.5
120.04477	2.2
120.08134	5.6
121.10129	2.2
122.06045	11.8
124.07594	7.7
129.06947	1.1
131.08554	2.0
132.08099	12.5
133.10179	1.5
134.06000	2.3
136.03943	3.9
136.07582	27.0
137.06001	1.6
138.09151	13.1
143.08534	2.3
144.04437	5.4
144.08073	4.5
145.10107	1.3
146.06024	4.4
146.09605	2.5
148.07582	4.9
151.03831	1.4
152.07005	2.4
153.05478	1.3
154.04994	12.9
158.06017	4.9
158.09622	3.1
160.03899	7.9
160.07576	3.8
161.13197	1.6
162.05484	4.0
164.07162	2.4
166.08638	12.5
170.09648	4.6
172.03954	26.4
172.07570	3.6
173.10782	1.8
174.05440	1.6
174.09119	3.2
176.07027	1.5
177.05511	2.1
178.08615	2.9
182.09709	1.5
186.05484	1.6
187.12270	5.5
190.04962	6.2
192.10228	9.9
196.07658	1.9
197.10928	1.4
198.05499	1.8
198.07574	2.3
198.09180	20.9
199.08589	2.8
200.07114	1.6
200.09248	2.4
200.10909	2.2
204.06566	40.0
204.10260	3.8
211.08336	1.3
212.10713	4.2
213.06517	2.2
213.10197	4.0
215.08348	1.8
215.11804	20.6
218.08147	6.7
219.08800	1.2
224.50694	1.2
225.10165	3.5
226.08611	3.9
227.08182	2.2
227.11775	4.0
228.08867	1.5
229.09650	3.1
229.13438	2.1
232.09639	1.9
234.11284	3.2
236.09354	1.4
237.10167	1.8
239.11754	1.7
240.10278	2.4
241.09712	8.5
241.13481	1.6
242.10425	1.2
243.11313	100.0
246.07593	3.6
250.10776	5.6
253.09866	2.6
253.13269	1.5
255.11284	9.0
257.12839	6.1
259.10754	3.2
263.08072	2.3
264.08832	1.7
265.09851	2.3
267.10733	1.5
269.09167	7.9
269.12732	2.0
271.10803	1.5
271.14417	4.2
279.11182	2.6
281.12915	2.6
283.10748	1.9
285.12344	86.3
286.12979	2.0
287.10287	26.1
287.13528	2.6
293.09152	1.7
295.10770	1.6
295.14291	1.2
297.12241	4.0
299.13773	1.8
301.11954	7.7
302.12598	1.2
303.13391	79.2
304.13568	1.8
305.11343	31.7
306.11755	1.2
313.11981	2.9
313.15427	15.9
315.09827	2.0
323.13907	8.9
325.11823	8.0
327.13614	1.3
339.13342	2.0
342.12347	1.6
343.13162	1.6
355.12653	1.2
355.16571	14.6
357.14578	5.5
358.15338	3.8
373.13821	2.1
375.38171	1.1
384.17731	1.3
385.13821	1.5
386.15225	1.4
388.16623	1.6
395.54031	1.2
404.16064	1.2
418.17331	3.2
428.16171	1.8
430.17566	1.5
456.15179	1.4
462.16794	6.3
463.16571	1.5
474.16687	5.8
476.18195	1.3
488.17981	1.3
494.19321	1.9
504.17633	3.4
505.18234	1.8
506.19321	5.5
536.20038	4.4
570.24292	1.5
581.24304	2.3
582.24329	1.2
583.25677	12.4
591.21375	1.2
599.24548	6.8
609.14484	1.4
609.23499	7.5
627.15057	1.8
627.24506	22.9
641.25415	2.1
659.26813	3.9
659.37427	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	659.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.69621	1.4
56.37741	1.1
57.07102	1.1
67.05490	2.2
69.03439	1.1
69.07065	1.6
71.18427	2.5
72.28741	1.2
76.09995	1.2
79.05495	3.8
81.03426	2.9
81.07050	1.6
82.06605	1.4
84.08132	3.8
85.02892	3.3
86.09660	1.3
88.68123	1.1
91.05482	5.1
93.07066	6.2
94.06570	8.9
95.04985	2.0
95.07344	4.8
95.08619	2.4
96.08131	14.4
97.02908	1.6
97.06502	1.6
103.05480	2.2
107.08593	1.7
108.08116	13.0
109.02943	1.9
110.09691	26.3
120.08110	17.7
122.06067	6.8
123.06750	1.3
124.07594	3.0
127.03896	1.5
131.08549	1.3
136.07585	14.4
137.06010	1.8
138.09145	31.1
145.10062	1.6
147.04411	1.9
148.07599	5.5
157.47925	1.3
159.04379	2.2
166.08640	43.1
172.03923	2.1
175.03874	3.1
177.05525	1.3
179.06979	1.6
181.04965	2.5
190.05019	2.0
195.09258	1.3
196.10019	1.8
197.10767	1.7
201.05275	1.7
203.07025	2.8
204.06500	2.2
205.08675	1.1
208.09999	1.7
209.10771	7.3
211.08765	1.7
211.12518	1.4
213.10204	2.5
215.06865	1.5
215.10695	1.8
220.09926	1.5
221.10760	1.5
223.08624	4.9
223.12344	2.2
224.09425	2.3
225.10255	6.9
235.08627	8.4
236.09457	6.1
237.10237	15.2
238.10925	1.6
239.11838	5.5
243.10196	1.7
247.08453	1.3
248.09543	2.1
249.07884	2.0
249.10287	28.2
250.10968	6.9
251.08194	11.3
251.11806	10.7
252.08876	2.7
252.12567	1.5
253.09747	11.1
253.13507	1.6
255.06560	1.4
261.10666	4.2
263.08200	5.6
263.11996	1.6
264.08875	6.2
265.09726	16.8
266.10312	2.2
267.07516	1.1
267.08569	1.7
267.11264	12.7
269.09225	3.8
277.09708	22.3
278.10461	6.7
279.07669	12.4
279.11264	25.6
280.08337	3.2
280.12000	1.9
281.09207	2.2
281.12668	1.4
282.10074	3.0
283.06165	1.5
283.10797	1.5
285.07498	1.7
285.12424	1.6
287.05612	1.5
291.07614	3.8
292.08374	2.7
293.09201	5.2
294.10403	1.4
295.06161	1.4
295.10797	13.2
297.08664	1.7
297.12296	2.2
298.09473	4.5
299.10254	2.9
305.09241	14.3
306.10013	2.3
307.10803	16.5
308.11560	4.4
309.08539	5.9
309.12088	2.2
311.10229	11.6
313.12204	1.5
321.08896	5.9
323.10208	12.9
324.11078	2.9
325.11920	2.7
327.08859	1.9
327.13333	1.8
333.08792	7.7
337.12012	2.5
339.09787	7.5
340.10742	2.8
341.64075	1.2
343.13116	2.8
351.09775	59.0
352.10385	3.8
353.11499	1.3
355.08728	1.7
355.12726	6.8
365.11304	2.4
367.15616	1.5
368.14044	1.9
370.11353	2.8
371.07892	2.2
371.12402	33.8
383.12372	30.8
384.17175	2.1
396.13159	1.5
400.16113	1.6
404.16019	1.8
411.14355	10.3
412.16519	1.5
438.14453	3.6
442.17441	1.3
456.15585	8.8
458.16669	1.5
476.18158	5.5
479.16431	1.6
486.16391	4.2
488.18243	3.2
497.18219	2.7
504.17651	17.6
505.18457	40.7
506.18784	2.4
508.20639	3.5
518.19073	4.8
536.20313	100.0
537.21014	9.5
563.18903	1.4
599.25507	2.6
609.23181	6.4
615.20276	3.3
623.24652	2.7
627.24261	5.3
641.26031	11.4
659.17847	3.5
659.28052	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05498	1.4
61.74874	0.8
67.05492	1.3
69.03411	1.2
69.07071	1.0
70.67018	0.8
70.78938	1.7
79.05488	1.4
81.03432	1.0
81.07063	1.9
85.02916	1.5
89.03922	1.1
91.05496	2.6
93.07034	4.0
94.06576	3.0
95.04984	1.3
95.07349	2.6
95.08632	1.9
96.08129	4.8
98.21406	1.2
103.05464	1.1
105.07016	1.1
106.06586	1.2
107.08576	1.5
108.08124	6.2
109.02850	1.2
109.10128	1.5
110.09676	6.7
116.04978	3.6
120.04430	1.3
120.08123	6.6
121.06542	1.0
122.06059	5.4
124.07602	6.5
129.07040	0.8
131.32742	0.9
134.06017	1.7
135.06931	0.8
135.61446	0.9
136.07582	8.3
137.05971	1.3
138.09140	9.6
138.40147	0.9
143.08589	1.5
144.04448	9.2
146.06018	2.2
148.07585	2.6
150.09163	1.7
151.07578	1.0
155.07329	1.3
158.06027	0.9
160.03947	2.3
162.05470	2.9
166.08658	11.7
167.07133	1.2
170.09665	4.6
172.03941	35.4
172.07512	1.6
174.05423	0.9
174.09157	1.5
174.71536	1.0
184.07523	1.2
186.09279	1.1
187.12325	6.1
190.04985	7.2
197.08282	1.3
198.09158	22.9
200.09380	2.9
204.06578	46.8
212.10890	4.3
213.10310	2.1
215.11819	19.0
219.06490	2.1
223.08751	1.0
225.10223	2.4
226.08698	6.7
227.11803	3.6
229.13368	1.4
236.09489	1.2
237.10231	1.8
239.11839	1.4
240.10359	1.8
241.09746	2.2
241.13434	2.2
242.10483	1.7
243.11311	100.0
244.11749	1.5
250.10831	1.1
251.11751	1.4
253.09743	2.0
255.11244	7.1
257.12903	5.4
265.09775	2.4
267.11362	1.9
279.11237	2.0
281.12790	0.9
283.10834	1.9
285.12357	93.9
286.12549	1.6
287.10303	1.8
297.12335	2.1
301.11972	8.0
303.13406	84.6
311.10226	2.5
315.09753	1.1
315.13358	1.2
325.11761	10.6
339.09763	3.5
343.13208	1.2
357.14594	4.3
358.15298	1.3
371.12463	4.6
381.10281	0.9
385.15060	1.0
411.14301	1.1
415.15308	1.1
418.17651	2.3
430.17664	1.0
434.17249	0.9
456.15247	1.3
462.16556	3.6
470.17145	1.2
474.16516	5.3
476.18213	3.1
504.17642	1.4
506.19089	1.5
536.20605	1.2
583.25623	3.1
599.24866	2.9
609.22998	2.6
613.26208	1.2
616.27985	1.1
623.25012	1.8
627.24359	8.6
641.26093	13.1
659.26544	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	659.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
65.03934	1.8
67.05505	2.4
68.45623	0.9
69.07043	0.7
71.56548	1.1
71.56921	0.8
79.05490	3.5
80.05021	4.0
81.05811	0.8
81.07048	1.2
82.06590	1.9
83.04977	0.8
84.08140	0.8
85.69023	0.8
89.03911	1.6
91.05484	3.5
92.05001	1.5
93.05790	1.5
93.07052	7.1
94.06568	12.1
95.04989	1.5
95.07358	7.3
95.08620	0.8
96.07548	1.4
96.08134	17.0
97.06556	1.9
103.05470	1.6
106.06580	4.0
108.04478	5.7
108.08115	22.2
109.02879	0.9
109.08910	0.9
110.09685	24.9
116.04986	5.8
118.06544	1.3
120.04482	6.6
120.08112	17.6
122.06033	9.1
123.06849	1.1
124.07599	15.5
132.04454	2.0
134.06013	5.3
136.07582	16.8
137.62424	1.0
138.05522	0.8
138.09142	23.3
144.04462	11.0
145.02837	1.1
146.06015	12.5
148.07597	7.5
150.05537	1.3
152.07082	3.7
158.06042	1.0
160.03964	6.1
160.07565	1.7
162.05553	6.6
164.07071	3.5
166.08655	29.6
168.08026	1.2
170.06108	0.9
170.08365	1.2
170.09642	1.3
172.03937	37.7
174.05487	3.8
174.09164	1.2
176.07082	8.1
178.04922	0.8
182.09613	1.2
183.09146	1.7
184.06447	0.9
185.10634	1.7
186.05449	0.8
186.09236	0.9
187.12329	0.7
188.07205	0.9
190.04996	35.0
191.05292	1.0
195.09241	1.4
196.07539	1.0
196.09904	1.8
197.07057	1.7
197.10744	2.1
198.07832	2.5
198.09412	1.0
198.11485	1.7
199.08766	2.0
200.09468	1.2
201.10231	1.3
204.06561	64.8
207.09174	1.1
209.10785	1.3
211.08575	3.7
212.09474	2.9
213.06860	0.8
213.10210	7.8
214.10973	2.0
215.11797	5.3
223.08655	2.6
223.12288	1.7
224.09479	2.9
225.10268	6.3
226.08620	2.7
226.10902	1.9
227.08203	0.8
227.11765	5.2
235.08716	1.7
236.09360	4.4
237.10277	5.7
238.11086	3.4
239.08086	1.1
239.11795	3.5
241.09709	6.9
243.11305	22.0
245.12831	1.0
247.08623	1.1
248.09575	1.0
249.10265	6.3
250.07712	0.8
250.11101	2.1
251.08130	3.7
251.11809	5.0
252.08965	2.0
252.12619	0.9
253.09721	2.5
254.10638	2.1
255.11266	6.2
256.12094	2.1
257.09216	1.6
257.12814	2.9
262.11072	1.2
263.08127	3.2
263.11734	2.2
264.08859	6.5
265.09686	3.8
266.10580	2.3
267.11160	4.0
269.09229	7.0
269.12671	1.9
270.09991	1.9
271.10666	4.9
273.12390	12.0
274.13007	1.1
277.09616	4.9
279.11285	7.1
281.09143	3.0
281.12875	2.8
283.10806	8.0
284.11600	3.2
285.12341	38.8
287.10184	11.2
290.13617	0.8
291.11197	0.9
293.09262	1.4
294.09991	1.6
295.10727	1.5
296.11563	1.7
297.12323	14.1
299.10318	2.1
299.13989	7.3
300.11768	1.3
300.15057	1.1
301.11874	5.6
302.12762	4.6
303.09985	1.9
303.13397	33.6
304.14368	2.4
307.10785	2.9
309.12354	1.9
311.10468	2.4
312.11780	1.4
312.15155	1.5
313.11780	3.9
314.12851	2.2
314.16473	2.1
315.10126	1.5
315.13889	2.5
316.10840	3.5
316.14432	4.0
317.15210	2.4
318.16040	2.1
323.10278	9.3
325.11844	53.3
326.12686	2.6
326.16476	1.2
327.13766	6.7
328.10825	2.6
328.14438	3.4
329.11215	3.7
330.12347	6.8
330.16019	1.6
331.13358	2.5
332.13928	1.4
337.11871	1.8
338.13040	0.9
339.13629	2.3
340.14459	2.0
342.12561	2.3
342.16089	1.9
343.12952	8.7
344.10303	1.0
344.13980	6.3
345.14832	2.9
346.15472	4.9
347.16437	2.1
354.12360	3.4
354.16037	1.9
355.13068	2.4
356.14001	3.3
357.14584	14.1
358.11835	2.0
358.15637	11.2
359.16351	2.1
360.13327	1.3
360.17310	1.1
361.14313	1.3
362.14865	1.4
368.13815	2.2
369.11633	1.0
370.11932	3.4
370.15518	2.3
371.12683	6.0
372.13309	7.0
372.16995	0.9
373.14178	2.6
374.14883	4.4
376.16425	2.3
378.18057	1.0
381.10641	1.1
382.15604	3.3
383.12634	2.5
384.13394	2.7
384.17548	1.3
385.14294	5.4
386.10599	1.4
386.15057	18.7
387.15906	8.8
388.12552	1.9
388.16891	1.9
390.18161	1.1
392.16019	3.3
394.17490	2.6
396.13400	3.5
398.15091	1.6
400.12350	1.6
400.16592	2.6
401.13721	3.0
402.14059	6.0
402.18765	1.8
403.15146	2.2
404.16016	10.4
406.17862	5.0
410.15036	3.1
413.14185	2.5
414.14529	19.5
415.15311	34.6
416.15845	4.4
417.16809	2.6
418.17633	4.3
420.15479	8.3
426.14420	1.1
428.16382	4.4
430.17731	5.8
432.15616	24.3
438.15167	3.2
444.15466	4.9
446.17096	4.2
456.15634	14.1
458.17081	1.2
462.16583	32.4
463.17053	1.6
464.18079	3.4
474.16614	88.7
475.17123	3.2
476.18332	4.1
488.18140	2.5
494.19073	2.0
506.19049	12.5
555.25421	0.9
557.23730	1.2
563.22174	1.3
567.22083	1.4
581.24280	5.9
583.25537	5.8
585.23523	16.2
591.22229	3.5
599.25024	6.3
609.23401	19.0
627.24524	100.0
628.25256	5.7
641.26202	1.2
659.26807	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	659.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01872	0.8
55.05497	2.0
56.96558	0.6
59.18711	0.8
65.03948	1.6
67.05518	3.0
69.03427	1.8
69.07057	2.0
69.51013	5.1
70.06582	1.7
71.04986	1.0
79.05476	2.8
80.05034	1.1
81.03432	3.1
81.07040	3.3
82.06577	2.5
83.04956	1.3
83.21690	0.6
84.08138	1.6
85.02884	3.0
85.06560	0.7
86.09705	1.1
89.03909	2.3
91.05469	4.3
93.05767	1.3
93.07043	5.5
94.06593	5.7
94.66300	0.6
95.04968	1.7
95.07343	2.8
95.08614	3.3
96.08141	7.9
97.02880	1.9
97.06552	1.3
97.10159	1.8
98.20725	0.7
98.97594	1.5
99.04406	0.9
99.08089	1.6
102.05531	1.0
103.05463	1.4
105.07009	2.2
106.06560	1.9
107.08585	2.5
108.04456	2.2
108.08126	11.6
109.02872	1.5
109.06527	0.8
109.08942	0.8
109.10158	2.1
110.06048	0.9
110.09698	9.2
111.04411	1.2
112.07606	0.7
116.04990	6.2
117.03378	1.3
117.07027	0.7
118.06551	1.7
119.08599	1.6
120.04489	4.7
120.08110	8.1
121.06526	0.9
121.10139	1.3
122.06039	7.4
123.04472	0.9
123.11755	1.3
124.07602	4.6
125.09621	0.7
127.03879	1.1
128.07069	1.2
131.04875	0.8
131.08582	0.7
133.10167	1.9
134.06029	6.0
135.04382	0.8
135.11682	1.1
136.07579	10.5
137.05994	2.4
138.05478	1.4
138.09151	10.7
139.03802	0.7
144.04460	12.2
145.02870	2.7
145.10091	0.8
146.06021	8.4
147.04341	0.9
148.07593	4.0
149.13341	0.7
150.05611	0.7
151.03821	0.9
151.07632	0.8
152.07062	2.1
153.12749	0.8
158.05992	0.8
160.03955	2.1
160.07587	1.4
161.09543	0.7
162.05519	6.5
163.03979	4.0
164.07108	3.8
166.08650	15.4
172.03944	50.9
173.09549	0.7
173.12962	0.7
174.05467	3.1
176.07051	4.4
177.05496	7.1
185.10800	1.2
190.04996	15.7
193.16075	0.7
197.10735	1.8
198.07738	1.2
198.09312	0.8
199.08633	1.9
200.09351	0.8
201.10193	0.8
204.06577	100.0
205.06952	0.9
209.10730	1.6
210.11455	1.0
211.08720	2.6
211.12314	1.2
211.16873	1.0
212.09387	2.3
213.10216	4.0
214.10918	1.5
215.11784	2.6
223.08649	1.6
224.09477	1.8
225.10313	3.0
226.08655	1.3
226.10927	1.3
227.11807	4.4
230.99834	0.7
231.11232	0.7
235.08633	0.9
236.09471	2.4
237.10210	3.2
238.11032	2.1
239.11772	1.6
241.09631	3.6
241.13448	0.9
243.11317	9.5
249.10184	2.2
251.07956	1.0
251.11804	2.7
253.09698	2.9
253.13431	0.7
254.10605	0.9
255.11282	3.3
257.09341	0.8
257.12848	1.2
263.08167	1.6
264.08969	3.3
264.11502	0.6
265.09915	4.0
266.10504	1.3
267.11328	2.0
269.09299	3.3
269.12836	2.2
271.10843	3.7
273.12317	5.6
277.09741	1.4
279.11325	3.1
281.09518	1.3
281.12851	2.2
283.10788	5.1
284.11533	1.0
285.12338	12.3
287.10300	6.8
287.13953	2.4
293.09198	1.4
295.10901	1.6
297.12323	7.2
299.10614	0.9
299.14072	2.4
300.14993	0.8
301.11856	3.2
302.12939	2.4
303.13419	23.6
304.14252	1.4
307.10846	1.6
309.12158	1.1
311.10312	1.2
312.11426	0.9
313.11877	2.7
314.13092	0.9
314.16577	1.5
316.11020	1.0
316.14429	2.0
317.15213	1.0
318.16019	0.9
321.09723	2.6
323.10294	6.8
325.11841	12.4
326.12851	1.4
327.13702	3.3
328.14453	1.8
329.11493	2.6
329.15128	1.6
330.12515	3.6
330.15952	1.1
331.13129	1.2
331.16690	1.0
332.17596	0.9
337.11780	0.9
339.13647	1.6
341.11221	1.0
342.12222	1.9
342.16122	1.5
343.13138	3.5
344.13998	4.5
345.14941	1.4
346.15359	2.6
347.16220	1.4
353.11563	0.7
354.12454	0.9
355.13016	1.5
356.14044	1.4
357.10733	1.2
357.14603	14.8
358.11807	1.0
358.15543	5.9
360.13397	1.1
360.17297	1.0
368.14063	1.3
370.11884	2.8
370.15854	1.5
371.12750	2.4
372.13367	3.7
372.17422	1.2
373.14133	1.9
374.14859	3.1
374.19080	1.0
376.16675	1.7
382.15616	1.6
383.12585	1.1
384.13458	1.9
385.14200	3.4
386.14999	10.6
387.15942	4.0
392.16046	1.0
393.13208	0.9
394.17447	1.4
396.13303	1.5
398.15155	1.9
399.15750	2.0
400.16904	1.5
401.13733	1.7
402.14230	2.3
402.18716	1.6
403.14969	0.9
404.16138	5.5
406.17584	2.8
410.14804	0.9
411.14545	1.7
412.16779	1.2
412.55817	0.8
413.14941	1.4
414.14514	9.1
415.15256	17.5
416.16257	3.0
418.17542	2.9
420.15457	4.2
428.16299	2.4
429.17532	1.0
430.17972	3.6
432.15555	11.5
438.15765	0.9
444.15631	1.9
446.16898	3.4
447.19040	0.8
456.15521	5.4
458.17145	3.5
462.16650	14.0
463.17453	1.2
464.17984	2.2
471.18793	0.8
474.16611	37.8
475.16797	0.9
476.18405	2.1
488.18079	1.0
494.19254	1.7
504.17636	3.4
506.19205	9.9
567.22015	1.9
581.23907	4.6
583.25433	2.7
585.23254	6.6
591.22272	2.0
599.24884	2.7
609.23462	16.3
627.24554	53.4
628.24353	2.1
641.24323	0.8
659.26599	1.2
659.31366	1.2
660.26062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06684	17.3
59.06121	83.7
67.05508	33.6
69.07035	19.3
71.58801	18.5
79.05489	31.4
81.07047	40.9
87.04465	21.3
89.06048	83.9
91.05491	24.6
93.07053	36.2
95.08617	26.5
103.06675	15.0
105.07032	29.0
107.08603	18.1
109.10168	21.0
133.08594	59.6
135.11610	18.8
173.48450	19.2
201.37009	15.2
214.92479	18.8
224.00421	14.5
283.36182	17.7
438.23834	20.3
659.21515	100.0
659.31958	32.3
659.43951	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	659.2353
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.01878	1.1
55.23873	1.0
62.20351	0.8
65.03930	1.1
67.05508	2.1
71.15833	0.8
79.05516	1.8
81.07050	2.1
91.05482	2.1
93.07052	2.7
95.04996	1.5
95.08605	1.5
98.21503	2.4
105.07034	1.8
133.10153	1.2
226.45410	1.1
240.00270	0.9
288.73837	1.0
293.41101	1.0
313.31964	1.0
399.14337	2.3
400.15524	4.7
409.13049	1.3
410.14453	1.1
414.16446	3.0
421.12796	3.3
422.13861	5.6
423.14484	5.2
424.15521	1.3
429.19128	2.8
435.14551	3.7
436.15579	4.8
437.16260	10.3
438.17221	2.0
439.17847	1.6
441.15585	1.9
449.16235	1.6
450.16943	3.7
451.18741	4.5
452.18616	2.0
453.15335	1.2
454.72446	1.2
455.17294	1.9
456.17581	1.7
463.13681	1.2
464.14859	3.3
465.15369	3.8
465.20227	1.6
467.17203	2.9
469.14618	2.1
478.16147	4.1
479.17795	4.5
480.18460	4.9
481.15128	1.2
481.18488	1.0
483.16556	2.9
484.16888	1.8
492.18295	1.4
493.19189	10.7
494.15506	2.4
495.16547	7.3
496.17334	2.5
497.14438	1.1
498.15170	3.0
506.16019	1.6
507.16553	4.4
508.17499	11.2
509.18414	6.4
510.18954	1.3
511.20319	1.3
512.16827	7.7
521.18359	14.1
522.15918	4.2
523.19928	1.0
524.16138	1.4
525.21100	1.8
526.14935	2.1
539.19189	2.6
540.19257	1.7
543.22418	2.4
549.17792	1.9
553.20850	19.9
571.22058	2.1
572.21893	3.3
581.20367	61.7
582.20764	2.5
599.21393	14.7
600.21191	2.1
609.19556	1.6
613.23041	20.5
622.23071	3.5
627.20807	1.5
631.23798	3.8
641.22467	100.0
642.22406	3.2
659.23260	20.1
659.40521	1.4
660.23322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
55.01870	1.6
56.96586	0.4
57.03439	1.6
61.02917	1.4
65.03950	0.5
67.05496	0.7
68.99797	0.9
69.03076	0.5
69.03437	8.9
69.61993	1.2
69.62431	0.9
71.04983	1.0
73.02925	1.8
79.05510	3.6
81.03052	0.3
81.03419	7.7
81.07027	0.3
83.04987	0.4
84.76286	0.3
85.02909	13.3
87.00832	5.3
87.04469	0.5
91.03945	0.3
91.05482	1.8
93.07047	0.9
95.01321	0.3
95.04964	1.0
97.02904	5.0
97.06512	0.4
99.04472	2.4
101.02396	0.3
103.03943	0.3
103.05484	1.1
105.01874	2.1
105.03410	0.6
105.04531	0.4
105.07040	0.7
107.04958	7.6
108.05743	1.2
108.08104	0.3
108.48201	0.3
109.02215	0.6
109.02888	6.4
109.06530	0.8
115.05457	1.3
117.01857	0.5
117.07008	1.3
118.02581	0.3
119.04956	0.4
121.02850	0.3
121.06498	1.7
123.04447	0.7
124.05235	2.0
125.05986	0.5
127.03921	10.2
128.06256	0.4
128.29318	0.3
129.01840	1.1
129.07018	0.7
130.06523	1.4
131.04956	0.5
131.08585	1.2
133.02858	0.6
133.06519	1.5
135.04445	2.3
135.05359	0.4
136.05205	1.4
136.07547	0.3
137.05952	0.8
138.09183	0.3
139.07552	7.1
141.06999	1.0
144.05705	0.8
145.04990	2.2
145.06473	2.0
147.02917	0.7
147.04410	1.5
148.05202	2.0
149.02325	2.0
149.05963	0.9
150.06789	0.3
151.07549	11.2
153.05542	0.4
153.07014	0.7
155.04866	0.5
155.07080	0.8
155.08574	1.3
157.06494	0.3
157.10054	0.3
159.02921	2.4
159.04434	4.8
159.08034	1.6
161.05969	2.1
162.06784	1.9
163.03915	0.7
163.07512	0.4
165.05392	0.5
165.06828	1.0
165.09164	1.1
167.03380	1.2
167.07042	5.3
168.05688	0.3
169.06502	1.8
170.07274	0.7
171.08008	0.5
172.03894	0.4
173.06030	3.1
173.09563	0.4
175.04001	0.6
176.04698	1.3
177.05479	4.4
177.09032	0.5
178.06305	1.1
179.07040	17.9
181.04968	1.1
183.08096	1.4
185.06119	0.3
187.03949	1.0
187.07541	5.7
187.09143	0.4
189.05513	0.4
191.07030	9.9
192.07814	15.8
193.08586	2.5
195.08040	0.4
198.06789	1.2
199.07539	0.6
201.05473	6.8
201.09122	1.4
204.06595	0.9
205.08575	1.6
211.07547	5.5
215.06985	2.1
215.11736	0.4
219.06544	4.6
220.07243	0.7
227.07033	1.6
229.08604	11.7
231.05034	1.6
239.06981	1.3
243.11287	1.1
257.08127	1.4
269.12909	0.4
285.12396	1.5
303.13397	1.0
313.10767	0.5
347.12811	0.4
353.10181	0.3
365.13907	0.9
375.12418	0.4
380.12662	0.4
383.14484	0.6
393.13272	1.3
409.12970	0.3
411.14395	100.0
412.14761	3.1
453.15381	0.6
627.23657	0.7
659.33832	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	659.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08976	0.2
53.03952	2.1
55.01873	1.4
56.03259	0.2
56.97772	0.2
57.03442	1.2
61.02928	1.2
65.03940	0.5
67.05503	0.3
68.99792	1.0
69.03431	8.9
69.50278	1.7
71.01334	0.3
71.04989	0.9
73.02924	1.3
77.03929	0.4
79.05504	3.7
81.03422	8.0
81.07043	1.0
85.02911	12.4
87.00835	4.9
87.04411	0.3
91.05482	2.0
93.07042	0.7
94.04189	0.4
95.04965	0.9
96.05757	0.4
97.02898	4.9
97.06542	0.4
98.21432	0.5
99.04458	2.8
103.03941	0.5
103.05433	0.5
105.01877	2.9
105.03388	0.5
105.07041	0.7
107.04958	7.3
108.05749	1.2
109.02885	6.7
109.06514	0.7
111.00813	0.2
115.05425	1.3
117.01849	0.6
117.07013	1.6
119.04947	0.4
119.08553	0.3
121.02934	0.3
121.06525	1.8
122.03645	0.4
123.04453	0.3
123.08061	0.4
124.05230	2.0
127.03918	9.0
128.06187	0.6
129.01854	1.1
129.06998	0.3
129.38287	0.2
130.06514	1.0
131.04936	0.7
131.08559	1.2
133.02858	0.6
133.06502	1.4
135.04434	2.9
135.08081	0.3
136.05231	1.3
136.07643	0.2
137.06000	0.7
138.09303	0.2
139.07541	7.5
141.06964	1.4
144.05707	0.6
145.04967	2.8
145.06519	1.8
145.10121	0.3
147.02850	0.7
147.04405	1.4
148.05190	1.6
149.02333	1.5
149.05975	0.8
150.06758	0.4
151.07552	9.8
151.08788	0.5
153.05490	0.5
153.06929	0.4
155.07048	0.8
155.08583	1.0
159.02917	2.6
159.04433	3.9
159.08028	1.5
161.05981	1.7
162.06760	1.5
163.03922	0.9
163.07472	0.3
165.05530	0.3
165.06898	0.6
165.09087	1.1
167.03409	1.2
167.07059	5.0
168.05751	0.4
169.06456	2.0
170.07234	0.7
171.04379	0.5
172.03915	0.7
173.05998	3.4
174.06732	0.3
175.03912	0.5
175.07571	0.3
176.04689	1.1
177.05478	4.6
178.06316	1.1
179.07042	16.3
180.07439	0.3
181.04980	1.1
181.06468	0.6
183.04488	0.4
183.08054	1.5
185.05998	0.3
187.03912	0.8
187.07545	5.5
189.03925	0.3
189.05528	0.4
191.07037	11.4
192.07820	15.8
193.08597	2.5
195.08057	0.3
197.05972	0.3
198.06770	1.2
198.09067	0.4
199.07597	0.7
201.05470	6.5
201.09090	1.1
204.06578	0.8
205.05119	0.3
205.08641	1.6
211.07535	5.6
212.08202	0.3
213.03879	0.3
213.09103	0.5
215.07030	1.7
217.08762	0.3
219.06525	4.7
220.07359	0.7
226.10947	0.4
227.07042	0.9
229.08597	11.3
231.05038	1.2
231.10217	0.2
233.11777	0.4
239.06982	1.3
243.11212	1.7
257.08069	1.8
257.12543	0.3
262.72125	0.3
269.12885	0.6
271.10077	0.3
285.07663	0.5
285.12375	1.3
301.11987	0.4
303.13290	1.7
313.11179	0.5
341.10159	0.3
347.12738	0.4
353.10095	0.2
355.27237	0.3
365.13824	0.7
376.35654	0.2
381.13510	0.4
383.14697	0.7
393.13522	1.4
409.13297	0.4
411.14389	100.0
412.14749	2.7
431.02075	0.3
453.15475	1.2
627.24438	0.7
638.73389	0.3
659.31677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.2
56.96563	0.9
57.03441	0.8
57.07080	7.2
58.06604	1.7
61.02923	1.3
62.94140	0.5
65.03949	1.2
67.05515	1.3
69.03416	0.8
69.07057	0.8
70.06596	18.7
71.08624	2.3
71.58221	0.9
72.08145	0.7
72.84929	0.6
73.02916	0.7
79.05489	1.1
81.03419	0.8
81.07075	1.5
85.02911	1.6
85.10194	1.3
88.07635	23.0
91.03948	1.0
91.05487	1.1
95.08635	1.3
97.02908	1.8
102.09186	17.5
105.07040	1.0
107.08601	0.8
109.10165	0.9
119.82022	0.5
121.02956	0.6
133.10120	0.6
145.05045	0.6
149.02353	40.7
149.03279	1.9
175.03954	1.6
177.05482	1.1
193.04970	47.7
200.01714	0.6
207.39561	0.5
212.23795	0.9
219.06602	2.1
223.42714	0.5
225.05481	0.8
237.07587	12.8
237.09943	0.8
253.58083	0.5
256.26361	50.0
257.26645	1.3
269.04581	1.4
297.04028	2.2
300.29092	1.3
313.07047	2.0
335.25757	1.0
341.06595	9.4
343.08133	0.7
359.07635	8.5
385.09177	21.3
429.11850	27.5
581.48145	0.6
640.35236	1.8
658.35919	100.0
659.36505	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01859	0.7
57.03434	1.3
59.05004	0.9
61.02930	1.4
68.99759	0.6
69.03435	7.3
69.67349	3.6
70.49867	0.6
71.05008	0.8
73.02914	1.5
76.05066	0.5
77.02089	0.6
79.05526	0.6
81.02975	0.9
81.03418	6.4
83.01372	0.6
85.02905	9.7
87.00829	2.2
91.05432	0.6
92.66459	0.5
95.04970	0.9
97.02907	5.1
99.04455	2.5
105.01884	1.1
107.04984	0.6
109.02898	4.4
109.10130	0.7
124.62238	0.6
127.03923	6.8
131.08507	0.6
138.09213	0.6
145.04993	0.7
145.06644	0.6
147.04446	2.7
151.03923	0.7
151.07500	1.0
159.02831	0.7
161.02299	0.7
162.03078	0.9
163.03860	0.6
167.07054	0.9
172.03983	1.2
173.05930	0.7
176.04689	0.8
177.05519	1.0
181.04968	0.9
190.04994	1.2
191.07037	6.7
203.07121	0.9
204.06592	2.0
211.07632	0.9
223.07579	0.6
225.05484	0.8
229.08768	0.7
236.04683	1.2
237.05374	3.6
248.04807	1.1
249.05481	1.4
250.06206	0.9
251.03442	1.6
251.06972	2.9
252.07834	0.8
257.08163	1.2
261.05472	4.2
263.06961	1.0
264.04208	6.7
264.07224	0.7
265.04886	2.0
265.08588	0.7
266.05643	0.8
267.06659	1.2
267.10648	0.7
269.09796	0.5
273.09372	0.8
275.07013	1.2
276.04227	5.6
277.04987	2.9
279.06531	10.1
280.07401	1.6
281.04459	1.1
283.09811	0.8
285.12152	0.6
289.05096	1.4
290.05670	0.7
290.09528	1.0
291.06519	12.6
291.09875	0.8
292.07031	1.1
293.04480	3.7
293.08112	3.4
295.06113	0.9
303.02914	6.6
303.06555	4.4
303.09738	0.9
303.13318	1.0
304.03577	0.7
305.04446	5.4
306.05148	0.9
307.06015	13.2
307.09521	1.1
308.06876	2.9
309.04108	1.0
309.07504	1.3
309.14871	2.1
310.08353	1.0
311.05548	0.7
311.09140	12.3
311.12509	0.9
317.08255	0.9
318.05289	1.0
318.08725	4.8
319.06030	6.9
319.09775	2.6
320.06778	7.2
321.03891	3.6
321.07617	4.7
321.11115	1.0
322.08331	1.3
323.05557	0.7
323.09186	2.0
325.11755	1.0
329.08014	1.0
331.06180	0.8
333.11212	10.2
334.11887	1.0
335.05521	11.5
335.09186	1.8
336.06247	8.2
336.09772	1.3
337.07108	1.0
339.08688	5.1
346.08344	0.8
347.09155	6.9
347.12885	0.7
349.07043	1.7
349.10843	2.0
350.07864	43.7
350.11099	1.7
351.08603	19.7
351.12387	6.6
353.10306	0.8
361.10800	5.6
362.11465	7.3
363.08572	2.0
363.12527	1.0
364.09409	0.9
365.10165	1.8
365.13937	11.6
375.12064	1.3
378.10944	2.2
379.11697	7.0
380.12512	7.5
381.09625	1.2
383.14996	3.6
393.13339	70.4
394.13657	2.0
396.11957	1.3
411.14417	100.0
412.14890	2.7
429.80615	0.7
453.15579	1.3
474.16483	1.7
573.19568	7.2
587.20978	0.8
615.20917	4.1
627.24329	2.5
631.20361	3.5
641.18707	1.3
659.19550	10.9
659.29919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94800	1.3
74.59731	1.2
79.05496	1.4
79.90191	1.4
98.21610	2.4
121.44741	1.2
129.99796	1.4
147.06841	1.3
150.80232	1.3
159.88972	1.3
163.38252	1.2
176.09492	1.7
209.10663	1.7
221.10725	2.7
229.61458	1.4
233.10735	1.4
247.12364	2.0
249.13934	2.9
259.12277	1.6
261.13965	3.0
272.11914	2.0
273.13889	4.0
274.13629	1.5
275.15491	1.8
288.14859	1.5
312.14981	1.6
316.14651	1.8
337.15881	1.5
350.16260	2.5
351.17325	1.5
363.16483	2.6
364.18097	2.3
365.17813	4.8
366.19260	2.7
375.16113	1.4
376.16830	1.5
377.17682	5.3
378.19199	2.0
379.19189	4.6
389.17883	2.6
391.19199	4.2
392.20410	3.1
393.16855	2.7
393.21213	2.8
394.17950	2.2
395.18396	2.0
404.20422	2.0
405.16519	1.7
405.20911	4.7
406.21860	2.3
407.18610	4.1
407.22882	3.6
408.19516	5.1
409.20074	6.4
418.18130	1.7
419.18268	3.2
421.19611	7.0
421.24832	2.5
422.21140	3.9
423.21857	23.3
424.22644	3.8
430.19321	1.4
431.18970	2.1
433.20404	2.6
435.22241	8.8
436.22375	4.8
437.23596	3.6
446.20724	1.9
446.81143	1.4
447.21979	1.9
449.23102	4.8
450.23965	3.0
451.20886	7.2
453.23260	2.5
454.20102	5.0
456.22522	1.5
461.23672	8.0
462.20929	2.5
463.21228	5.6
464.22299	3.2
465.22714	5.2
466.23383	2.0
467.24512	2.4
468.24957	2.1
476.22226	3.5
477.23318	7.3
478.23352	4.3
479.25189	7.4
481.22202	3.7
490.21573	1.7
491.20877	1.8
492.23138	1.5
493.22244	6.8
493.26941	2.4
494.26468	5.8
495.23697	16.4
496.24237	5.6
507.23508	1.6
508.24908	15.9
509.26141	12.7
510.26538	13.6
511.27173	17.1
519.24011	3.0
521.25970	7.3
522.26196	3.9
523.23633	6.9
525.28729	3.7
526.28809	3.1
537.25079	23.9
538.25922	12.6
539.25775	2.1
551.23273	2.6
553.28668	9.4
555.26111	3.2
565.24304	4.7
566.25122	2.8
570.28571	7.5
581.27637	32.7
582.25391	3.1
583.25702	7.1
583.33575	1.5
596.27283	1.7
597.27148	53.9
598.27704	10.3
607.25494	3.7
613.30225	74.4
614.30396	3.9
625.26581	100.0
626.26910	4.0
657.29218	11.1
662.05499	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.4
57.07050	3.0
61.57342	2.6
67.05489	8.3
69.03444	2.9
69.07056	9.9
71.58456	4.0
71.58826	3.0
79.05482	10.8
81.07063	22.0
91.05453	10.5
93.07045	15.9
95.04980	5.2
95.08593	14.1
102.50935	3.0
105.07008	16.5
107.07959	3.1
107.08585	16.9
109.06551	3.2
109.10157	12.6
119.08582	9.2
121.10121	11.7
123.08089	3.2
131.08534	5.5
132.71024	3.0
133.10129	9.8
135.11685	7.9
135.26474	2.7
143.08565	4.0
145.10123	8.7
147.11673	9.9
148.59132	3.0
149.13193	4.0
157.10172	3.8
159.11722	8.1
161.13283	3.7
175.14885	3.6
187.14716	3.4
197.13397	4.3
203.06981	5.0
203.17982	3.8
241.19310	2.8
249.13980	4.0
287.68982	2.9
318.15884	4.0
350.16443	3.7
363.16882	3.9
365.17734	3.7
377.17740	5.2
379.19513	4.3
391.19263	4.4
395.22406	3.7
407.18436	4.0
408.19226	5.6
409.20224	8.4
421.19943	6.5
423.21756	24.2
435.21750	7.8
436.22360	7.8
437.23505	5.4
447.21854	4.9
449.23657	4.8
451.21786	4.8
454.19998	3.9
461.23169	6.9
462.22064	3.1
463.21112	7.1
465.22733	4.4
477.23019	4.2
478.23288	6.2
479.24451	6.1
493.21841	8.0
494.26422	6.7
495.23468	17.2
496.24786	5.9
508.24921	19.2
509.25653	17.4
510.25653	9.2
511.26935	15.1
521.26068	5.6
522.25854	6.0
523.23309	4.5
537.24884	22.1
538.25623	12.4
553.27869	12.1
565.24304	6.1
570.28192	5.4
581.27869	28.1
583.25818	6.2
597.27155	63.4
598.27325	10.2
613.30176	74.2
625.16681	6.3
625.26538	100.0
657.29004	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	657.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01864	0.8
57.03424	1.7
61.02911	0.7
67.05479	0.5
68.99792	0.5
69.03436	7.7
69.07069	0.4
70.66595	0.8
70.66936	0.4
71.01357	0.4
71.04982	0.9
73.02106	0.4
73.02914	1.6
79.05498	0.9
80.42978	0.3
81.03419	5.2
81.07030	0.4
85.02422	0.6
85.02910	9.1
86.09702	0.4
87.00838	2.0
91.05484	0.7
93.07040	1.1
95.01328	0.4
95.04960	0.7
97.02904	3.3
99.04448	2.2
100.09901	0.4
101.02390	0.4
103.03967	0.7
103.05476	0.5
105.01907	0.8
105.07018	0.7
107.04960	0.8
109.02895	4.4
109.10169	0.4
119.08569	0.4
125.05979	0.6
127.03919	7.1
128.06216	0.7
129.07011	0.8
131.04913	0.5
132.05678	0.5
135.04381	0.5
137.06020	0.5
140.04616	0.4
145.04982	1.0
147.02931	0.5
147.04407	1.1
149.05972	0.7
151.03896	0.4
151.07573	0.7
153.05444	0.4
157.06531	0.7
159.02962	0.9
159.04358	0.5
160.05208	0.7
161.06068	0.5
163.07544	0.5
167.07082	1.3
171.04384	0.6
173.05995	0.8
176.04730	0.6
177.05566	0.9
179.07101	0.8
181.04999	0.8
184.05110	0.7
185.06000	1.0
187.03899	0.7
187.06050	0.9
189.05478	0.5
191.07040	2.6
205.04921	0.9
207.06485	1.1
208.07100	0.5
222.06541	0.4
225.05519	0.6
231.04919	0.5
232.08867	0.5
247.07664	0.4
255.06531	0.4
257.07932	0.7
260.08371	0.4
261.09125	0.9
263.07114	0.8
263.10324	0.4
264.04327	0.6
267.06467	1.0
269.04440	0.8
272.08414	0.4
273.09045	0.7
275.07172	0.8
275.10501	0.5
276.04166	0.6
276.07751	0.6
277.05289	0.5
277.08606	0.7
278.09219	0.4
279.06583	1.0
281.04645	0.4
281.08282	0.4
283.06073	0.6
287.07227	0.6
288.07877	1.1
289.08676	1.4
291.06543	1.0
291.10229	0.6
293.04495	0.5
295.05988	0.7
299.05530	1.4
301.08630	1.0
302.09299	0.5
303.06549	3.4
303.10196	0.9
304.07336	0.7
304.10980	0.5
305.08063	1.6
305.11343	0.5
306.08655	0.8
307.06088	1.0
307.09695	0.5
307.13245	0.6
308.06854	0.5
309.04596	0.4
309.07715	2.4
310.04208	0.4
311.05719	0.8
311.09244	1.8
315.06522	0.6
315.10251	0.4
316.07391	1.2
317.08121	2.7
317.11389	0.5
319.06174	0.5
319.09534	2.2
320.06958	0.6
321.07660	0.6
321.11304	1.4
323.09109	0.4
329.07880	0.7
330.09015	0.5
331.05850	1.0
331.09711	2.1
332.06857	1.0
332.10443	0.7
333.07538	2.5
333.11221	0.9
334.08362	2.0
335.09222	1.2
337.06705	0.4
337.10361	0.7
339.08640	0.4
343.09750	0.7
345.07654	2.2
345.11288	0.6
346.08371	2.7
347.09119	5.2
347.12454	0.3
348.09720	0.9
349.10739	10.7
351.08569	1.2
353.13931	1.3
359.09067	1.1
361.07059	2.7
361.10861	0.7
363.08350	2.4
363.12534	2.3
373.10654	0.8
374.11539	0.6
375.08508	0.8
376.09387	2.0
377.10278	7.5
378.10986	7.1
379.08102	1.6
379.12213	0.8
381.13364	4.0
391.11774	10.3
392.12634	0.6
394.10767	1.8
409.12836	100.0
410.13345	1.8
451.13843	1.4
495.12051	0.8
537.13892	1.6
561.14093	0.6
571.17969	3.1
585.20111	0.6
621.15808	0.8
625.22595	0.8
629.18652	1.8
639.16797	2.1
657.17786	3.7
657.27100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01867	1.3
57.03441	1.9
61.02919	1.2
68.99792	0.6
69.03441	8.0
69.07050	0.4
71.04983	0.9
71.58492	0.3
73.02926	1.5
79.05498	1.0
81.03425	6.2
81.07059	0.8
83.01359	0.3
85.02915	9.9
85.03430	0.7
86.09715	0.4
87.00837	2.2
87.04471	0.5
91.05480	1.0
93.07044	0.7
95.04984	0.5
95.08606	0.7
97.02903	3.9
99.04441	2.1
103.03944	0.8
105.01886	1.1
105.03389	0.4
105.06992	0.4
107.04962	1.1
109.02885	4.9
109.06548	0.3
113.42919	0.3
115.03917	0.4
115.05442	0.3
115.12852	0.3
117.07001	0.4
118.04206	0.3
119.04951	0.4
119.08616	0.4
121.06532	0.5
121.10123	0.4
125.05987	0.4
127.03933	7.9
128.06239	0.5
129.01830	0.8
129.06961	0.4
131.04924	0.8
131.08536	0.3
132.05663	0.4
133.06505	0.4
134.03667	0.4
135.04407	0.6
136.07520	0.3
137.05989	0.9
145.04967	1.0
145.06526	0.4
147.04428	1.4
149.02316	0.4
149.06018	1.1
151.03897	0.5
151.07559	0.9
153.01866	0.4
153.05449	0.6
157.06496	0.9
158.07396	0.4
159.02884	1.1
159.04276	0.3
159.11679	0.3
160.05234	0.5
161.06013	0.6
163.03935	0.5
163.07555	0.4
165.05548	0.5
165.07022	0.5
166.08646	0.4
167.07057	1.4
173.06015	0.5
175.03983	0.7
175.07495	0.6
176.04672	0.5
177.05533	1.5
179.07062	0.5
181.04961	0.9
181.06480	0.6
184.05167	0.4
185.06013	1.2
187.03914	1.3
187.05890	0.6
189.05501	0.7
191.07062	3.4
192.07874	1.0
193.04947	0.4
195.08194	0.3
197.06041	0.7
205.05002	1.2
207.06532	0.8
213.03862	0.4
213.05618	0.4
215.08661	0.5
231.04988	0.7
232.08775	0.4
242.05721	0.4
245.09653	0.5
246.06804	0.4
247.07767	0.5
249.09126	0.4
251.07152	0.4
253.05104	0.4
257.08102	0.5
259.07666	0.7
260.08243	0.6
261.09229	1.0
263.07248	0.3
264.04404	0.4
264.07782	0.5
265.04941	0.6
267.06577	0.6
269.04523	0.9
271.05768	0.4
274.09949	0.4
275.07108	0.8
275.10648	0.6
277.04956	0.5
277.08704	0.7
279.06567	1.3
280.07373	0.4
281.04630	0.4
281.08221	0.4
283.05881	0.8
285.09134	0.7
285.12262	0.5
287.06989	0.7
287.10373	0.3
288.07892	1.1
289.08667	1.5
290.05975	0.4
290.09335	0.4
291.06497	1.3
291.10092	0.7
292.07230	0.4
293.04471	0.4
293.08054	0.4
294.05151	0.4
295.06003	1.0
295.09848	0.4
297.04230	0.3
297.07568	0.6
298.04782	0.4
299.05402	1.8
300.06430	0.6
301.08554	1.0
303.06552	3.3
303.10229	1.1
304.07251	0.8
304.10928	0.4
305.04791	0.5
305.07925	1.6
306.08957	1.2
307.06091	0.4
307.09744	0.3
307.13382	0.6
308.07065	0.4
309.07523	2.7
311.05646	0.6
311.09164	1.7
313.07245	0.3
315.06622	0.4
315.10153	0.5
316.07388	1.8
317.08136	2.4
317.11484	0.5
318.05127	0.4
318.08780	0.7
319.06427	0.5
319.09671	2.9
320.06778	0.4
320.10403	0.7
321.07828	0.5
321.11249	1.4
323.09274	1.0
324.06259	0.3
328.05872	0.6
329.08054	0.6
330.09097	0.4
331.05963	0.7
331.09637	2.2
332.06763	1.2
332.10483	0.8
333.07526	2.3
333.11346	1.2
334.08417	1.9
335.09036	1.5
335.12885	1.0
337.06967	0.5
337.11075	0.6
339.08783	0.4
345.07578	1.8
345.11288	0.7
346.08414	2.9
347.05402	0.7
347.09238	5.7
348.09897	1.2
349.10748	10.3
350.11530	0.6
351.08551	1.1
353.13876	1.3
359.09213	1.0
360.10107	0.6
361.07126	2.5
361.10883	0.9
362.07578	0.4
363.08533	2.8
363.12393	2.4
366.11176	0.3
373.10818	1.0
374.11368	0.6
375.08636	0.6
376.09344	1.8
377.10193	8.6
377.14627	0.5
378.11020	8.5
379.07928	1.7
379.12283	0.6
381.13312	4.4
383.07599	0.4
391.11816	11.4
392.12146	0.7
393.09491	0.4
394.10638	1.8
409.12848	100.0
410.13153	2.8
451.13614	1.2
477.15643	0.7
495.11481	0.7
507.12891	0.6
519.12714	0.4
537.13824	1.3
553.16925	0.4
561.13885	0.4
571.18134	3.2
585.20184	0.4
613.32452	0.3
621.15948	0.7
625.22968	0.5
629.18658	1.8
639.16608	1.9
657.17975	5.7
657.28107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01878	1.2
57.03432	1.0
60.11085	0.5
63.73152	0.5
67.54169	0.6
69.03439	2.9
79.05515	1.0
81.03407	3.0
81.07069	1.2
85.02905	2.8
87.00832	2.3
91.05499	1.9
95.04981	1.1
97.02876	1.7
105.01875	0.7
105.07053	0.8
107.04955	1.5
109.02902	1.4
109.06563	1.0
115.05524	0.8
119.04971	2.2
119.08643	1.0
121.06505	1.1
125.05958	1.1
127.03919	1.7
128.06282	0.7
129.06993	1.0
135.04401	1.4
137.05992	0.9
141.07036	0.7
144.05792	0.6
145.06491	0.6
147.04430	4.7
147.08049	1.4
148.05186	0.9
149.02348	0.7
149.06012	0.7
151.03928	1.5
151.07558	1.3
157.06570	0.8
159.03000	0.8
159.07997	0.8
161.02341	2.1
161.06023	1.5
163.03951	1.8
169.06528	0.7
171.08124	0.8
173.05943	3.1
175.03903	4.4
175.07634	0.8
176.04716	1.7
177.05481	0.8
178.06236	2.1
185.05948	3.0
187.03925	9.4
187.07469	2.9
189.09218	0.8
191.07047	17.1
192.07791	1.0
193.04965	2.5
195.08080	0.8
197.06013	1.4
201.05473	2.3
203.07043	7.0
203.08775	0.9
205.04967	2.3
211.07603	1.0
213.05499	2.2
215.06949	1.5
218.07164	0.9
231.86143	0.7
232.08940	0.7
233.09651	0.9
237.09059	0.7
239.07053	0.7
244.08856	0.8
249.09195	0.7
250.10005	0.6
251.07129	1.1
253.05060	0.5
257.08102	0.8
259.07599	0.8
260.08298	1.0
261.09192	1.5
263.07022	4.0
263.11020	1.1
264.07803	0.7
265.12390	1.1
273.09338	0.9
275.07150	1.5
275.10669	1.6
277.08615	1.2
278.09445	1.8
279.06580	1.3
279.10065	1.0
289.08417	0.9
291.06555	2.4
291.10165	1.4
292.07260	1.1
293.08133	2.3
293.11813	2.1
295.06137	1.1
303.06537	3.8
303.10184	2.4
305.07947	2.0
306.08844	2.3
307.05978	2.1
307.09592	3.5
309.14917	1.3
315.09998	0.8
317.08188	1.7
318.08978	2.0
319.06091	1.5
319.09680	2.6
321.07605	1.3
321.11145	8.9
323.09058	1.3
329.08096	1.0
331.09637	2.3
332.06860	0.8
333.07498	2.1
333.11261	5.0
334.08408	1.9
335.05487	0.7
335.09149	11.7
337.10712	1.4
337.14417	1.0
345.07477	1.0
346.08386	0.9
347.09152	6.5
347.12930	4.1
349.10751	9.7
350.11588	2.8
351.08719	1.8
357.24149	0.7
359.09335	1.2
361.06900	1.1
361.10709	5.0
362.11697	3.0
363.08521	1.7
363.12442	2.1
365.13885	100.0
366.14374	1.5
373.10486	1.0
376.13177	1.6
377.10040	2.9
378.10797	1.5
381.13397	21.7
391.11813	14.8
393.13339	67.9
394.13660	1.2
409.12836	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01871	0.3
57.03437	0.4
61.02924	0.3
67.05490	0.5
69.03432	1.1
70.05933	1.1
72.08138	0.3
73.02912	0.3
79.05477	0.4
81.03411	1.7
81.07054	0.5
85.02901	1.5
87.00819	0.7
91.05473	0.5
95.04981	0.5
95.08587	0.3
97.02886	0.5
98.20850	0.3
99.04486	0.2
105.07033	0.4
107.04976	0.3
108.98080	0.2
109.02861	0.8
117.07022	0.5
119.04950	0.6
119.08599	0.4
121.10164	0.3
127.03913	0.9
129.07060	0.4
134.03648	0.2
135.04510	0.3
137.02420	0.2
147.04399	0.4
147.08022	0.4
149.02412	0.4
149.06017	1.5
151.03951	0.3
151.07558	0.3
153.05507	0.3
159.04463	0.3
161.02338	1.1
163.03940	0.3
167.03326	0.4
167.07057	0.5
169.06480	0.5
173.05995	0.5
175.03880	1.1
175.07513	0.5
177.05489	1.0
179.07025	0.3
185.06001	1.1
187.03905	3.3
187.07594	0.3
191.07076	0.8
192.07805	0.3
201.05515	0.8
203.07062	2.4
205.04997	2.3
213.05580	0.3
219.08075	0.3
224.03879	0.3
233.04427	0.6
233.09686	0.4
235.07527	0.3
250.57019	0.3
263.07074	1.0
267.16180	0.3
275.07040	0.5
275.10678	0.4
276.07770	0.7
277.08670	1.1
278.09412	0.5
283.07446	0.2
285.07672	0.7
288.07785	0.3
289.08478	0.4
291.06616	0.8
293.11780	0.7
295.06073	0.4
300.34119	0.2
301.08633	0.7
303.06540	1.0
303.10281	0.7
304.07443	0.7
305.08090	2.0
306.08963	0.7
309.07681	0.4
315.06445	0.6
317.08115	0.7
318.05298	0.4
319.05991	0.7
319.09720	1.3
320.10486	0.4
321.11243	1.3
323.09033	0.3
329.08032	2.0
330.08646	0.3
331.06088	0.7
331.09723	0.5
332.06799	1.9
333.07541	5.4
333.11392	0.3
334.08258	0.7
335.09113	0.5
341.10138	0.9
343.06085	0.4
345.11340	0.6
347.09201	4.6
347.13144	0.6
348.09949	0.6
349.10693	1.3
351.08597	0.5
357.07800	0.3
359.09186	1.5
360.06183	0.6
361.07074	8.6
362.07727	0.5
363.12189	2.1
365.13803	0.8
366.10880	0.4
373.10773	3.0
375.08679	1.6
376.09439	4.4
377.10132	0.8
381.13327	5.5
387.58044	0.3
391.11761	100.0
392.12012	1.7
409.12820	11.0
409.18253	0.6
410.12915	0.3
656.37158	0.3
657.27899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58644	2.2
88.53812	1.3
152.91200	1.4
168.08165	1.3
182.66576	1.2
197.10666	1.6
209.10770	2.1
222.18729	1.4
223.12352	1.6
224.13092	1.3
225.10429	1.6
225.13788	2.9
227.11823	1.7
237.10327	1.5
237.13980	2.1
239.12041	1.9
251.08287	2.1
253.13515	1.7
265.09790	2.2
266.14078	1.6
277.10062	1.5
375.83984	1.4
389.13528	1.9
398.15131	1.6
402.14371	1.7
417.16733	2.9
419.19138	1.7
431.18945	2.0
433.20142	3.1
445.16278	2.5
446.16928	2.4
447.21887	5.8
460.18539	2.0
461.19824	4.3
462.20572	2.8
475.21402	17.9
476.21829	4.4
477.22690	4.6
503.20691	3.3
505.22470	1.4
519.24280	1.8
521.22461	3.0
535.23285	8.3
547.23279	2.4
549.24481	2.2
562.25641	2.8
563.26740	9.9
575.23297	1.6
579.25897	1.8
590.24884	4.1
593.27740	2.3
594.28217	5.4
595.25433	5.7
605.24048	2.2
607.25409	4.1
609.26849	4.0
622.27893	100.0
623.26086	8.1
627.27716	4.0
637.26318	3.2
638.27197	3.5
655.27405	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	655.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19154	0.2
55.05500	0.3
67.05507	0.5
67.88867	0.2
68.83087	0.2
69.43563	1.0
69.43988	0.9
73.55093	0.3
75.04502	0.2
79.05522	0.3
81.07092	0.4
87.14294	0.2
91.05495	0.6
98.21525	0.5
105.07056	0.3
107.08648	0.3
108.17185	0.3
119.08591	0.5
135.11673	0.2
137.61902	0.3
193.82791	0.2
257.08038	0.3
377.17902	0.6
389.18369	0.4
391.19321	0.9
392.20004	0.8
393.20816	0.3
403.11469	0.4
405.17151	1.2
405.21008	1.0
406.17480	0.4
406.22018	0.4
407.18158	0.3
407.22461	3.5
418.17993	0.8
419.11145	0.8
419.18362	3.0
419.23724	0.3
420.18921	1.3
421.20374	1.0
432.19437	0.5
433.15750	0.3
433.20639	4.7
434.13403	0.8
434.21149	3.8
435.21857	7.3
436.22919	0.5
447.17850	1.2
447.23370	1.4
448.18106	0.4
448.23257	0.9
449.19043	1.7
461.18954	1.6
462.20346	4.1
463.21255	3.6
475.21368	1.1
476.22284	0.9
477.22864	1.5
478.23669	0.3
479.21127	1.0
489.22983	1.1
493.22430	1.1
495.23880	1.2
506.22958	0.5
507.20401	0.4
507.23981	0.4
508.24646	1.8
509.25806	1.3
517.22504	0.5
520.24957	0.3
521.25702	9.4
522.26190	0.3
535.26929	0.8
549.25012	15.9
550.25702	0.3
553.24829	0.9
563.26636	2.2
564.27271	0.6
565.24597	0.3
577.24878	0.5
580.25879	0.4
581.27789	2.3
595.29272	8.2
596.29462	0.4
607.29352	0.4
609.27100	9.1
623.28259	1.3
651.26703	0.3
655.31305	100.0
656.31696	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	655.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96498	1.9
55.45131	1.8
67.96245	1.8
71.55926	1.9
80.91718	1.7
105.03292	1.7
176.24918	2.1
317.11295	1.9
322.47107	1.9
333.36380	1.7
418.17645	2.1
431.18707	2.5
446.59900	1.9
447.22348	3.4
461.19345	3.1
462.20822	3.6
475.21317	12.2
476.22159	7.8
477.23041	4.7
491.20865	2.3
503.20612	5.0
535.23376	3.5
547.23444	4.4
549.24878	3.1
551.22205	2.4
552.23395	2.5
562.25446	2.3
563.26453	9.7
579.25775	4.9
590.24359	2.6
593.27112	3.7
594.28168	4.5
595.25574	6.5
605.24011	3.4
606.24744	2.1
607.25092	4.2
609.27100	4.5
622.27887	100.0
623.25671	7.1
637.26215	3.8
638.26776	5.9
655.27460	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	655.2756
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
67.05540	0.4
71.55952	0.8
79.05492	0.7
81.07075	0.5
84.43385	0.4
86.20123	0.4
91.05476	0.6
93.07058	0.4
105.07040	0.8
107.08590	0.5
117.06990	0.4
120.08075	0.4
131.08588	0.4
133.10168	0.5
145.33264	0.4
146.38634	0.4
203.07104	0.5
207.99013	0.4
280.51218	0.4
339.19180	1.3
377.17685	1.3
379.19254	0.8
379.96295	0.3
389.17734	0.9
390.18472	0.7
391.19421	2.6
392.20178	0.7
393.20697	1.7
403.19678	0.7
404.16095	0.5
405.16589	3.2
405.21609	0.8
406.17395	0.5
406.21970	0.8
407.22528	3.8
417.17026	0.5
418.17957	1.4
419.18430	5.9
420.19327	2.2
421.20288	1.4
432.19461	0.7
433.20331	8.8
433.25369	0.6
434.21082	5.4
435.21832	6.0
436.22797	0.5
437.20059	0.5
445.20856	0.6
447.17340	0.8
447.22208	1.8
448.23264	0.6
449.20056	1.3
461.19357	1.0
462.20361	2.8
463.21439	3.5
465.19101	1.8
475.21329	1.5
477.23203	0.5
479.20316	0.9
490.20160	1.2
491.20959	0.9
493.22183	2.3
503.20804	0.6
508.21106	0.7
520.24554	1.4
521.25842	9.4
549.24988	10.9
551.22504	0.5
552.23676	1.0
553.22430	0.4
565.24390	1.1
577.24329	7.8
580.26855	1.9
581.27344	1.7
595.25562	3.9
605.24371	0.8
609.26868	3.1
627.30127	1.2
637.26660	7.1
655.27716	100.0
656.28076	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	655.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
54.08924	0.5
57.03402	0.6
61.02915	0.8
61.83387	0.5
61.89959	0.6
67.05488	0.9
67.14565	0.6
68.73315	0.5
69.03437	4.0
69.07025	0.9
70.80228	1.7
72.68623	0.6
73.88100	0.6
79.05479	1.3
81.03388	1.7
81.07029	0.9
85.02911	6.0
87.04422	0.6
91.05453	2.1
93.07072	1.1
95.08559	0.6
97.02853	2.4
97.06510	0.6
99.04424	0.8
103.05433	2.5
105.07040	3.9
107.04984	1.2
107.08549	0.6
109.02840	0.6
109.06499	1.0
109.10131	0.8
115.05438	0.9
118.04205	1.4
121.06475	2.4
121.10134	0.6
123.00764	2.4
127.03892	1.8
128.06194	1.3
130.04114	1.2
131.04942	2.8
131.08501	0.6
132.05672	1.2
133.06528	3.2
135.04411	1.0
137.02388	0.6
137.05937	1.0
140.04599	0.7
145.04883	0.6
146.03564	0.7
147.04384	0.7
149.02223	0.8
149.05951	2.1
152.01019	1.7
152.80811	0.5
154.06261	0.8
159.04391	0.8
160.05142	0.6
161.05981	5.0
163.11211	0.8
164.99886	0.5
167.07077	4.1
168.05682	0.6
171.08043	7.5
173.05962	0.8
176.04704	2.4
177.05443	2.5
182.09375	0.7
183.08060	1.3
184.05173	1.8
185.05980	0.6
191.07018	4.3
192.07819	1.1
193.08598	2.5
207.06433	0.6
209.05994	1.9
209.07935	1.2
210.08842	2.0
211.07545	1.5
212.04669	1.2
214.06125	0.7
225.05383	0.8
228.07074	0.6
229.08592	2.1
239.07076	0.8
240.04181	1.8
240.07784	1.8
251.77405	0.6
253.05025	0.8
255.06532	97.7
256.07184	1.0
281.08273	1.4
283.06024	42.9
284.03845	0.9
284.06787	10.8
285.07596	23.2
287.05472	1.7
297.07162	0.7
313.07071	2.4
315.08826	0.7
321.07504	0.6
325.06876	0.7
463.13943	4.6
475.13910	22.8
476.14410	0.8
493.14978	100.0
494.15262	2.3
655.19678	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
55.01851	0.6
57.03442	1.1
61.02926	1.1
68.45393	0.2
69.03432	4.5
69.96362	0.7
69.96777	0.4
71.04979	0.4
73.02888	0.8
78.04685	0.3
79.05457	0.8
81.03416	1.4
81.07028	0.4
85.02911	6.7
87.04453	0.6
91.03937	0.4
91.05474	1.3
93.03438	0.2
93.07007	0.6
95.01315	0.6
95.04947	0.6
97.02898	2.6
99.04452	0.5
101.02357	0.3
102.04639	0.2
103.05479	2.8
105.06385	0.2
105.07039	3.4
106.04192	0.5
106.11518	0.2
107.04987	1.1
107.08575	0.2
108.02058	0.2
109.02869	0.9
115.05484	1.1
117.03285	0.3
117.07015	0.4
118.04149	1.8
119.04962	1.1
121.06535	2.1
123.00794	2.1
123.04404	0.4
124.05206	0.3
125.02318	0.2
127.03941	1.2
128.06209	0.6
129.06999	0.3
130.04155	1.3
131.04004	0.3
131.04926	3.2
132.05699	1.3
133.02838	0.4
133.06499	3.3
134.03610	0.3
135.04453	1.2
137.05965	0.6
139.05424	0.3
140.04691	0.3
143.04927	0.4
144.05670	0.4
145.04944	0.6
145.06470	0.4
146.03600	1.0
147.04439	1.2
148.05261	1.0
149.02344	0.3
149.05984	2.6
151.00179	0.3
151.03911	0.3
151.07515	0.3
152.01079	1.9
153.01823	1.5
153.06880	0.4
154.06200	0.7
156.05688	0.6
158.07256	0.8
159.04359	0.4
159.11775	0.2
160.05154	0.5
161.05994	4.8
162.06712	0.4
163.03949	0.3
163.07501	0.7
165.01869	0.3
165.09102	0.3
166.06236	0.4
167.07033	2.4
168.05768	1.0
169.06468	0.7
170.02110	0.3
171.08067	7.5
173.05945	0.3
176.04694	1.9
177.05496	2.1
178.06232	0.2
179.07024	0.6
181.06453	0.6
181.08611	0.4
182.09438	1.2
183.08049	1.4
184.05190	1.5
185.05980	0.5
186.06769	1.0
187.07426	0.2
191.07031	4.0
192.07809	0.9
193.08575	2.1
195.04463	0.2
196.05205	0.7
197.05972	0.6
199.07507	0.7
201.09068	1.1
209.05951	2.3
209.08072	0.9
210.08847	1.7
211.07623	1.1
212.04704	1.2
213.05615	0.4
213.09210	0.2
214.06248	2.1
223.03870	0.6
225.05411	0.9
226.06203	0.3
227.06952	1.1
229.08653	2.2
239.03389	0.5
239.07079	1.0
240.04214	1.5
240.07790	2.3
241.04996	0.5
242.05779	1.1
251.06853	0.3
252.04204	0.5
253.04994	1.0
255.06526	92.6
256.07050	2.2
257.08078	2.2
259.09720	0.4
267.06622	0.3
268.07272	1.0
269.04489	0.6
269.08069	0.8
270.05222	1.2
281.08185	0.8
282.05246	0.3
283.06024	36.9
284.06784	10.1
285.07590	31.1
286.07974	0.4
287.05453	0.4
295.06061	0.7
296.06808	0.9
297.07568	0.7
300.06287	0.4
309.07657	0.2
313.07059	15.2
314.07788	1.0
315.08664	2.9
325.07111	0.8
327.08862	0.3
339.08716	0.5
431.11880	0.2
443.11169	0.6
460.11496	0.3
463.13910	3.8
475.13901	22.5
476.14426	0.6
493.14963	100.0
494.15283	2.2
535.16187	0.7
655.20197	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	655.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96089	0.3
52.76363	0.4
53.03949	0.7
55.01887	0.5
55.05520	0.4
57.03449	0.8
58.85502	0.4
61.02915	1.2
61.39493	0.4
67.05515	1.0
69.03438	4.2
69.07066	0.6
69.43588	2.9
71.05012	0.8
73.02932	1.0
79.05494	1.1
81.03427	1.8
81.07053	1.7
83.04988	1.0
83.08598	0.6
85.02914	6.4
87.04488	1.2
89.22054	0.4
91.05475	2.3
93.07051	1.3
95.04985	0.7
95.08614	1.0
97.02911	2.5
97.10138	0.4
99.04446	0.9
102.04720	0.4
103.05473	1.3
105.07051	3.0
107.04979	1.5
107.08595	0.8
109.02884	1.5
109.06533	0.5
109.10162	1.0
115.05439	0.8
117.03357	0.6
118.04166	1.0
119.04953	1.0
119.08591	1.0
121.06525	1.2
121.10213	0.5
123.00831	1.7
123.04473	0.5
127.03918	2.0
127.11180	0.4
128.06239	0.8
129.07126	0.5
131.04918	2.1
131.08533	0.4
132.05702	0.9
133.06487	2.5
133.10164	0.6
135.04427	1.5
135.11699	0.7
137.02376	0.4
137.05994	1.5
138.73668	0.4
145.02916	0.6
145.04991	0.8
145.06480	0.6
145.10280	0.4
146.03613	0.4
147.04414	1.4
147.11688	0.6
148.05177	0.5
149.05966	1.2
149.09651	0.7
151.03867	0.6
151.11124	0.4
152.01062	1.3
153.01875	1.5
153.05573	0.4
155.04930	0.9
158.07306	1.1
159.07982	0.5
159.11771	0.5
161.05986	4.0
162.06798	0.6
163.07549	0.8
165.05490	0.4
165.09109	2.0
167.07086	1.7
168.05766	0.6
169.06491	0.8
171.02930	0.6
171.08076	3.7
176.04709	0.6
177.05510	1.8
178.06221	0.7
179.07123	0.5
180.07872	0.5
181.06453	0.7
183.04480	0.9
183.08076	0.9
184.05273	0.5
185.06015	0.5
186.06796	2.0
191.07083	1.8
193.08693	0.7
195.04353	0.4
197.06035	0.8
198.06732	0.5
199.37943	0.4
201.09163	2.3
209.06038	1.7
209.08022	0.4
210.08852	0.8
211.07594	0.7
212.04744	0.8
214.06241	4.0
225.05443	1.0
227.07103	0.6
229.08728	1.8
239.03505	0.7
239.07037	0.8
240.04185	0.9
240.07870	1.1
241.05118	0.5
242.05843	1.4
255.06538	51.7
256.07150	1.2
257.08118	3.3
268.07352	0.5
269.04489	3.3
269.08112	1.3
270.05353	1.1
271.06030	0.9
281.08115	0.6
283.06036	24.9
284.06799	4.7
285.07587	31.7
295.06192	0.8
296.06888	0.9
297.04001	2.2
297.07477	1.1
298.04837	1.2
299.05658	1.4
300.06464	1.0
311.09225	0.9
313.07080	24.0
314.07809	1.3
315.08603	5.0
387.14182	0.5
407.11389	0.6
415.11984	0.5
443.11411	1.3
447.14560	0.7
463.14066	3.8
475.14072	10.3
493.15033	100.0
494.15610	2.7
535.15918	0.7
655.19952	11.9
655.29620	0.7
656.20612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
59.51569	0.2
62.14222	0.2
62.66816	0.2
64.92766	0.2
65.03899	0.2
66.89561	0.2
67.01866	0.4
68.99793	0.8
69.03423	0.3
70.06590	0.3
70.64894	0.2
70.73872	0.5
79.05459	0.4
80.54769	0.2
81.03416	1.0
81.07047	0.4
85.02899	0.4
89.03918	0.3
91.04968	0.3
91.05485	3.9
95.08626	0.2
95.45927	0.2
97.02921	0.2
99.04454	0.2
105.07056	0.2
105.74312	0.2
107.04883	0.2
107.08600	0.3
109.02849	0.5
111.00838	0.3
115.05438	0.2
117.03348	0.2
119.04948	5.4
127.03880	0.3
132.02118	0.3
135.04445	2.0
137.02330	0.8
147.04420	5.4
153.01828	7.1
157.03940	0.5
161.02336	1.5
164.04555	0.2
171.02893	1.2
175.03911	10.4
179.03395	0.5
179.06999	0.2
207.06532	25.4
210.61273	0.2
214.10793	0.2
219.06485	0.4
241.04968	0.7
245.04233	0.2
269.04459	0.5
282.53302	0.2
287.05502	100.0
288.05838	1.3
351.10794	2.4
369.11703	1.4
428.08710	0.2
443.11246	0.4
475.13892	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	653.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
58.06606	2.7
59.06136	2.9
67.05505	0.6
69.07065	1.1
70.06598	0.6
71.58655	1.1
72.08170	1.6
73.06549	0.9
74.09733	1.5
78.39656	0.5
81.07060	0.7
83.04973	0.7
86.09705	13.5
91.05486	1.4
93.07066	0.7
95.08622	0.9
95.49944	0.6
100.11263	46.7
101.06022	1.0
105.07043	1.5
109.05907	0.6
109.10135	0.8
117.90371	0.5
119.08642	0.6
141.19489	0.5
145.10104	0.5
146.11832	1.2
147.11655	0.7
148.01346	1.5
154.15952	1.6
180.93884	0.5
184.08975	0.5
186.14944	0.6
203.07031	1.2
211.03696	0.8
214.14502	0.8
225.05229	3.2
228.15988	2.6
251.06908	1.1
268.10464	0.6
270.10892	0.6
285.21823	2.9
293.08163	0.6
313.24945	3.0
327.19412	0.6
327.22897	0.6
341.24350	6.7
371.09045	1.6
373.10532	0.8
389.10193	0.6
401.09946	0.7
403.11896	0.8
403.19226	0.8
405.13062	4.8
409.27136	0.7
417.09625	1.5
419.11285	1.0
431.11258	1.3
431.22137	5.4
433.12646	17.7
433.19077	0.9
434.13330	0.7
447.25122	10.8
454.32870	1.1
472.33890	1.9
517.25739	4.5
621.26471	0.9
625.45349	14.8
644.59265	0.6
653.30804	100.0
654.30670	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	653.3093
Annotation	Anhwiedelphinine
Peak:m/z	Relative Intensity
54.05299	0.5
59.06116	0.7
65.04361	0.5
67.05514	0.5
69.31139	0.5
71.18231	1.1
79.05486	0.8
81.07064	1.3
91.04993	0.6
91.05505	2.2
93.07043	1.1
95.04963	0.5
95.08624	1.5
95.98692	0.4
102.77724	0.5
105.07084	0.7
107.05007	0.6
107.08624	0.8
109.10101	0.7
119.08577	0.9
121.10161	0.6
131.08539	0.5
133.10127	0.5
134.03500	0.5
159.11777	0.6
203.07076	1.2
205.04814	0.6
251.06877	2.4
267.10229	0.8
295.06171	0.8
391.11832	0.6
393.11972	0.5
401.10147	1.0
402.10880	1.2
403.11856	1.4
405.09671	0.9
418.09848	0.8
419.11075	1.5
433.12955	27.7
434.13724	1.1
435.14456	0.6
467.15027	0.6
479.10126	0.6
623.29767	0.6
653.30859	100.0
654.31110	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	653.2972
Annotation	Haplophytine
Peak:m/z	Relative Intensity
50.66519	0.5
54.58260	0.5
67.05455	1.0
67.25502	0.5
70.24095	2.1
81.07003	0.7
85.14828	0.5
91.05438	0.7
93.06985	0.8
117.98086	0.6
197.10786	0.7
209.10728	0.9
221.10715	1.3
223.12341	0.7
235.44687	0.7
249.13693	0.7
295.14499	0.9
307.14142	0.7
312.14993	1.0
313.16064	0.6
375.15891	1.1
386.18216	0.8
388.17532	0.7
389.17645	2.3
390.18460	2.4
391.19223	1.9
400.20062	0.9
402.18076	1.1
403.19330	3.3
404.19992	4.9
405.20804	13.3
406.21481	0.8
414.21899	0.7
415.19174	1.0
416.20331	0.8
417.20892	2.8
418.21957	3.5
418.26294	0.6
419.22470	10.6
420.23074	3.3
426.17813	0.8
431.22330	2.1
432.23071	2.0
433.23947	7.8
434.18954	0.6
434.24783	3.8
435.18295	1.7
445.19727	1.5
446.20746	0.9
447.21713	3.6
447.26239	2.3
448.26413	1.6
449.19553	8.4
450.20532	2.9
459.22183	1.1
461.19595	0.9
462.20587	2.1
463.21286	7.4
464.21982	3.9
465.22925	3.5
471.18146	0.9
471.56659	0.6
473.19022	1.2
474.21658	0.6
475.20944	4.4
476.21875	1.7
477.23004	5.5
478.23721	3.9
479.24460	44.0
480.24747	1.2
486.20615	1.3
487.21317	5.5
489.23065	1.0
491.20477	2.1
491.24826	2.5
492.25165	2.7
493.25851	2.0
501.23071	5.7
502.23193	2.7
503.23160	0.8
505.21970	0.7
505.26358	0.9
506.26816	1.3
507.27591	27.4
519.24017	3.9
533.25653	5.6
534.26373	1.1
535.23010	1.0
536.24536	1.4
537.24982	13.8
539.27429	0.9
550.26038	0.8
551.26544	40.1
552.27039	1.0
561.25104	8.7
562.25488	1.4
563.23065	1.3
565.28094	22.5
566.28906	89.6
567.29266	3.4
575.26709	1.3
578.24908	1.1
593.27545	13.6
594.27997	0.8
603.26410	1.3
621.27161	18.8
625.30640	1.2
635.28705	3.4
653.29730	100.0
654.30298	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	653.297
Annotation	Unknow
Peak:m/z	Relative Intensity
62.28492	1.5
67.05506	2.0
69.07070	2.1
71.33879	1.7
71.58671	1.9
76.45825	1.5
79.05475	1.8
81.07077	4.2
91.05473	3.3
93.07025	1.8
95.08607	3.9
105.07042	1.7
107.08617	3.1
109.10146	2.1
119.08643	3.5
138.92654	1.4
147.11778	1.5
156.21753	1.5
178.61951	2.0
203.07111	3.3
248.19099	1.6
369.74091	1.8
377.17465	2.2
391.19244	6.5
392.19940	2.5
404.20825	1.8
405.20712	10.2
406.21524	8.7
419.22476	3.1
420.23114	4.9
421.23779	14.3
433.19885	3.6
433.25031	2.3
436.19196	3.8
445.20660	3.1
450.20639	2.2
452.22113	2.4
460.22897	3.4
465.22873	44.9
466.23270	2.1
473.19775	3.4
475.24936	1.7
479.24677	10.5
480.25363	3.0
487.21295	2.6
488.21964	5.7
492.21613	3.6
501.23129	2.0
503.24438	55.1
506.25671	1.8
507.27713	4.7
535.27039	51.5
551.26495	4.4
561.25189	3.5
579.25964	43.2
593.27631	3.3
594.28406	23.4
621.27124	27.9
653.29718	100.0
654.30414	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	653.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06113	3.3
69.28687	5.4
69.29100	1.5
79.05481	1.0
81.07039	0.9
93.07037	1.0
95.08584	1.5
98.21124	4.0
103.03295	0.8
145.10107	0.9
158.09654	0.8
196.09866	1.2
197.54716	0.8
198.11557	1.2
203.07056	1.1
208.09903	1.1
209.10808	1.9
210.11427	1.4
212.70923	0.8
221.10712	1.2
222.11526	1.4
223.12241	1.4
224.13231	1.1
225.13794	4.4
225.40324	0.7
226.14558	1.2
235.12317	2.2
237.13841	2.8
238.14589	1.1
239.15331	1.2
240.95956	0.9
247.12198	0.8
249.10205	2.6
249.13899	1.3
251.11787	0.9
259.44916	0.8
268.41766	0.8
276.16458	0.9
277.09726	1.7
293.12741	0.9
294.37387	0.8
295.10779	1.2
314.13098	0.8
323.10287	0.9
324.15063	1.0
325.12268	1.0
337.11917	2.2
338.12689	1.4
339.13516	1.3
366.15927	1.8
382.15460	1.3
396.13403	1.6
401.17529	2.6
402.18393	1.1
403.19574	1.2
415.19211	2.4
417.16260	1.3
417.20963	1.8
428.16479	1.1
429.16873	2.0
430.17834	1.8
431.18179	6.4
433.12595	3.1
433.20013	1.5
443.19189	3.7
444.19989	1.9
445.20313	3.3
446.20999	2.9
447.21786	4.0
454.17426	1.8
457.15991	1.2
459.22321	6.9
461.23438	1.1
471.18063	2.2
472.18845	1.9
473.23846	1.7
475.21094	2.6
487.21515	10.4
488.21884	1.1
491.19943	1.0
501.22925	4.8
503.20648	1.3
505.25711	1.3
515.20911	3.7
517.21851	1.2
518.23358	1.1
519.23682	3.9
529.22186	3.6
533.25769	5.1
534.22589	2.7
547.23212	2.2
561.25018	100.0
562.25031	2.8
589.24451	9.3
593.28632	1.0
621.27130	94.3
622.27081	3.6
635.27972	1.1
653.31085	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.3
69.43487	0.3
69.43893	0.7
71.04990	0.1
78.15297	0.1
79.05465	0.1
81.03387	0.3
81.07020	0.1
83.75880	0.1
84.72925	0.1
85.02881	0.2
89.03847	0.2
91.05479	0.9
91.70122	0.1
91.92340	0.1
93.07011	0.2
95.08585	0.2
97.06525	0.2
105.07005	0.1
107.04852	0.1
109.02829	0.1
115.05409	0.2
117.03342	0.2
119.04211	0.1
119.04945	1.4
127.03881	0.2
134.03650	2.9
137.02350	6.5
141.06953	0.5
144.65477	0.1
147.04417	1.2
149.05893	0.2
154.02661	0.2
157.03906	0.2
157.06438	0.2
158.07253	0.2
169.06447	0.5
175.03925	2.0
177.05457	0.2
179.07101	0.2
181.06497	0.3
183.04402	0.3
185.05916	0.2
186.06763	0.7
196.05220	0.2
197.05998	2.1
207.06523	4.5
213.05472	3.4
214.06256	3.6
224.04736	0.2
225.05481	7.4
226.05920	0.2
229.08618	1.3
241.04828	0.2
242.05952	0.6
253.04979	12.1
254.05249	0.2
257.08066	0.3
269.04434	2.5
270.05243	19.9
271.05768	0.3
285.07593	100.0
286.07932	1.7
351.10925	0.4
369.11859	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.187
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32576	0.2
62.06081	0.4
67.05508	0.3
69.03428	0.5
69.07063	0.5
70.37769	0.2
71.58115	0.3
72.08155	0.2
74.30710	0.2
79.05490	0.2
81.03425	0.4
81.07062	1.0
83.08636	0.4
84.08150	0.3
85.02896	0.3
85.06556	0.2
89.03957	0.3
91.05482	0.8
91.36650	0.2
93.07048	0.4
95.04993	0.3
95.08587	0.5
97.06513	0.2
105.07015	0.4
107.08599	0.5
109.02836	0.3
109.10172	0.7
117.03369	0.4
119.04922	0.8
119.08601	0.3
121.10133	0.4
127.03908	0.5
133.10133	0.3
134.03653	2.7
137.02353	7.7
137.05893	0.2
141.06935	0.5
145.02855	1.0
145.10141	0.2
147.04364	1.0
147.11702	0.3
148.05165	0.4
149.06027	0.3
151.97122	0.2
155.04774	0.2
163.03870	0.2
169.06522	0.5
175.03915	1.4
177.05490	1.4
181.06535	0.5
183.04413	0.4
184.05260	0.2
185.05963	0.4
186.06795	0.5
197.05998	2.2
200.35252	0.2
207.04767	0.4
207.06552	3.2
211.07532	0.3
212.04703	0.5
213.05455	3.2
214.06247	3.5
215.03477	0.3
225.05478	7.6
229.08621	1.3
240.04196	0.8
242.05734	1.0
253.04974	8.3
254.05351	0.3
254.44856	0.2
255.06551	0.8
257.04492	0.5
257.07999	0.3
268.03760	0.5
269.04401	2.4
270.05249	17.2
271.05978	0.3
283.06021	1.0
285.07590	100.0
286.07968	1.4
299.09229	0.2
300.06305	3.6
300.09384	0.4
315.08640	20.1
316.09039	0.4
351.10870	0.3
368.31876	0.4
369.31827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.7
67.05504	4.0
69.07085	0.8
71.57893	0.7
79.05497	2.1
81.07054	3.5
93.07053	2.4
95.08609	2.1
105.07083	0.9
107.08598	1.6
119.08604	0.8
163.73291	0.7
167.95245	0.7
227.03073	0.9
307.33566	0.7
317.20877	9.9
373.23605	4.9
411.39026	0.7
651.45984	100.0
652.46283	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	653.187
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32576	0.2
62.06081	0.4
67.05508	0.3
69.03428	0.5
69.07063	0.5
70.37769	0.2
71.58115	0.3
72.08155	0.2
74.30710	0.2
79.05490	0.2
81.03425	0.4
81.07062	1.0
83.08636	0.4
84.08150	0.3
85.02896	0.3
85.06556	0.2
89.03957	0.3
91.05482	0.8
91.36650	0.2
93.07048	0.4
95.04993	0.3
95.08587	0.5
97.06513	0.2
105.07015	0.4
107.08599	0.5
109.02836	0.3
109.10172	0.7
117.03369	0.4
119.04922	0.8
119.08601	0.3
121.10133	0.4
127.03908	0.5
133.10133	0.3
134.03653	2.7
137.02353	7.7
137.05893	0.2
141.06935	0.5
145.02855	1.0
145.10141	0.2
147.04364	1.0
147.11702	0.3
148.05165	0.4
149.06027	0.3
151.97122	0.2
155.04774	0.2
163.03870	0.2
169.06522	0.5
175.03915	1.4
177.05490	1.4
181.06535	0.5
183.04413	0.4
184.05260	0.2
185.05963	0.4
186.06795	0.5
197.05998	2.2
200.35252	0.2
207.04767	0.4
207.06552	3.2
211.07532	0.3
212.04703	0.5
213.05455	3.2
214.06247	3.5
215.03477	0.3
225.05478	7.6
229.08621	1.3
240.04196	0.8
242.05734	1.0
253.04974	8.3
254.05351	0.3
254.44856	0.2
255.06551	0.8
257.04492	0.5
257.07999	0.3
268.03760	0.5
269.04401	2.4
270.05249	17.2
271.05978	0.3
283.06021	1.0
285.07590	100.0
286.07968	1.4
299.09229	0.2
300.06305	3.6
300.09384	0.4
315.08640	20.1
316.09039	0.4
351.10870	0.3
368.31876	0.4
369.31827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.7
70.88931	0.6
70.89251	0.4
81.03453	0.5
81.07051	0.6
85.02886	0.6
93.07056	0.4
95.08611	0.5
97.06588	0.4
98.97566	0.4
105.07045	0.8
107.08609	0.4
109.06454	0.4
119.08534	0.3
133.10153	0.4
137.05940	0.4
147.04533	0.3
151.03911	0.5
161.05971	0.7
172.12245	0.4
173.02098	4.1
175.11270	0.3
176.04620	0.5
177.08974	0.3
190.02364	6.8
191.03163	24.8
192.07784	0.6
215.03262	1.1
229.04810	0.7
230.05585	1.1
231.06308	0.4
237.00810	0.4
251.32280	0.3
267.08893	0.5
277.17868	1.4
285.10318	0.5
293.17175	0.3
295.18799	2.4
302.02747	0.3
343.11719	0.7
353.10410	0.4
362.09351	0.6
362.59164	0.5
371.59607	0.6
379.07877	10.4
397.08978	19.4
413.16183	0.4
445.22141	3.3
449.32339	0.3
545.45898	0.3
607.14935	0.4
651.27759	100.0
651.36200	4.8
652.28125	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	651.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
59.06101	0.8
65.03929	0.7
67.05475	0.9
69.07038	1.0
69.39718	2.9
70.77769	0.3
77.74374	0.3
79.05462	0.6
81.07076	1.7
81.07505	0.3
83.01333	0.5
83.22702	0.3
91.05488	23.9
93.07020	0.4
93.77467	0.3
95.04939	0.4
95.08597	0.7
103.05469	0.7
105.03362	0.8
105.06999	1.7
107.08581	0.5
109.06509	0.3
109.10138	0.7
115.05444	0.9
117.06989	1.5
119.08605	0.5
121.02821	0.7
121.10104	0.5
128.06303	0.3
129.06985	0.7
131.04903	1.9
131.08514	0.4
141.06943	1.1
143.08542	0.6
145.06416	0.7
145.10138	0.5
147.11610	0.4
149.02307	1.4
153.07011	0.6
155.04823	0.3
155.08574	5.4
158.07307	1.9
159.04398	1.4
159.08044	1.7
161.02271	0.6
161.05960	1.2
162.06866	0.4
163.03850	0.5
165.06979	3.0
166.07764	0.9
167.03392	1.9
167.08536	1.0
171.04387	0.4
171.08055	0.5
173.09570	0.6
175.03925	4.8
178.07750	0.6
179.03362	0.4
179.08536	2.3
181.10109	1.3
183.08089	5.2
184.07373	0.7
185.05992	1.3
187.03915	2.0
189.05431	1.1
190.06137	0.4
191.08640	2.9
193.06508	2.8
194.07289	0.7
195.08006	0.7
201.05365	0.7
201.09114	1.6
203.03362	1.2
203.06993	3.1
205.04959	1.1
207.08076	0.6
209.09665	1.2
211.07552	26.2
213.05443	0.8
214.06227	2.8
215.07047	1.3
219.08118	1.8
223.07330	0.4
225.09200	0.8
227.07065	1.2
229.08615	30.4
230.05727	0.5
235.07553	0.9
237.09038	2.0
239.07048	11.5
239.10727	0.5
242.05759	3.3
243.06612	0.8
245.08109	11.9
246.08647	0.4
247.07600	1.4
253.08612	8.9
254.08916	0.4
257.08102	100.0
258.08508	1.0
263.07059	2.5
265.08609	23.7
266.09079	0.4
267.10172	1.9
281.08020	0.6
377.21198	5.0
439.00903	0.3
450.64185	0.4
491.14554	1.7
497.15955	1.1
503.63452	0.4
509.16010	49.0
510.16525	1.4
527.17352	0.7
566.27197	0.4
577.22186	0.5
633.28442	22.9
634.29291	1.0
651.29327	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	649.337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48378	0.6
55.01865	0.9
55.05511	2.3
57.07071	1.0
59.06118	1.0
59.43633	0.7
65.03934	0.7
66.23340	0.6
67.05506	4.1
69.03432	1.0
69.07067	5.8
69.23550	7.2
71.04983	0.7
72.08115	0.7
79.05499	3.6
81.03426	0.7
81.07067	7.8
83.08637	0.7
85.06574	0.7
91.05486	8.6
93.07057	6.6
95.04984	4.7
95.08611	6.3
97.06507	1.1
103.05463	1.0
105.07039	7.5
107.04967	2.2
107.08596	5.1
107.99717	0.7
109.06520	2.9
109.10147	4.4
117.07011	2.4
117.10288	0.7
119.04975	0.8
119.08594	5.6
121.06511	3.0
121.10143	3.1
123.08089	0.8
123.11724	2.2
124.05252	0.8
125.06002	2.1
127.03905	0.7
128.06203	0.8
129.07028	1.4
131.04964	1.1
131.08577	3.0
133.02910	0.9
133.06490	0.9
133.10132	5.1
135.04416	1.9
135.08099	1.6
135.11722	2.7
136.05203	1.0
139.03911	1.3
139.07524	1.8
143.08565	1.7
145.10098	4.2
147.04425	3.1
147.08049	4.2
147.11678	2.9
148.05200	1.7
149.02403	1.6
149.05969	1.3
149.09653	1.3
149.13383	0.8
151.03870	1.1
151.07559	8.2
153.05496	4.2
154.06294	1.5
155.08548	1.4
157.10135	0.9
159.04453	0.8
159.08020	1.4
159.11702	3.5
161.02373	1.9
161.05991	2.2
161.13225	1.2
163.03914	1.2
163.07550	1.7
163.11238	0.8
165.05548	1.2
165.06906	0.7
165.20436	0.7
167.03375	1.5
167.07047	9.0
171.08064	1.5
173.06018	1.2
173.13284	1.3
175.03963	1.0
175.07567	1.9
176.04747	1.9
177.05472	2.5
177.09081	2.2
179.07054	10.1
181.08664	1.4
183.08130	1.0
185.05969	1.8
187.03993	1.4
189.05481	1.1
189.09123	8.6
191.07056	10.6
191.14348	1.9
191.94789	0.7
192.07813	2.4
193.04924	4.3
195.08110	1.7
198.06673	0.9
199.07506	1.0
201.09137	4.1
201.16443	1.7
203.07050	29.3
203.17920	1.3
204.07497	2.0
205.04962	1.4
205.08606	1.4
207.06549	1.7
209.08090	1.7
209.15413	2.5
211.07591	2.7
213.09132	2.6
215.06976	0.8
219.06525	10.9
219.17381	0.9
223.07701	0.9
226.06178	2.0
227.07080	1.2
227.16504	0.8
229.08611	23.1
231.10201	2.6
237.07558	0.7
241.08527	4.3
243.10173	2.0
245.08043	1.1
251.06921	0.7
253.08685	1.1
257.08096	1.7
259.09717	3.9
263.07336	1.0
265.08630	1.1
267.10165	1.7
269.08026	0.7
277.08597	0.7
283.09686	1.2
291.10477	0.8
316.07245	0.9
331.09549	2.1
335.09250	0.8
337.10828	1.4
345.11224	0.8
349.10522	1.1
349.14359	1.1
351.12292	1.1
365.13895	3.1
367.15570	3.7
377.13885	8.1
381.13452	1.5
395.14960	5.0
411.14325	1.2
413.15982	100.0
414.16376	1.5
433.12589	1.5
624.78101	0.8
649.35626	2.1
649.45331	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	649.3028
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
53.06261	0.5
55.05515	0.5
67.05516	1.2
69.53652	0.5
71.31683	0.8
79.05486	0.9
81.07045	1.7
81.59634	0.5
91.05479	1.6
93.07069	1.5
95.08612	0.8
105.07040	1.9
107.08577	1.0
109.10176	0.8
119.08602	1.7
120.08934	0.8
121.10140	0.9
123.11713	0.9
131.08591	0.7
133.10146	0.8
145.10223	0.7
147.11719	1.6
159.11694	0.8
178.09834	0.5
178.65010	0.5
194.00525	0.5
197.09579	0.5
199.14737	0.5
203.07039	0.9
203.18018	1.5
204.18388	1.1
235.12332	0.7
288.90540	0.6
344.69254	0.5
389.17780	0.7
401.17587	0.7
402.18091	0.9
403.19281	2.8
404.20212	1.4
416.20166	1.2
417.21237	2.9
418.21820	0.8
419.22617	1.2
430.17825	1.6
431.17892	4.7
432.18881	1.0
432.24039	0.6
433.24438	3.2
438.59320	0.6
444.19226	2.5
445.20081	7.2
446.21063	1.5
447.21838	1.5
457.20804	1.1
459.22119	6.6
460.22876	4.5
461.23538	3.6
471.21869	0.6
472.18585	0.7
473.19131	5.8
475.24933	1.4
487.20847	3.5
489.23163	0.8
501.23206	0.9
502.23865	2.6
503.24576	5.6
515.24646	1.5
519.24268	1.5
531.24170	1.0
533.22296	0.8
545.22028	0.6
546.25763	1.2
547.27271	10.7
559.23358	0.7
561.24854	3.1
589.28125	20.5
589.37579	1.1
591.26050	0.7
605.24371	0.6
607.29315	2.4
649.30225	100.0
650.30774	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	649.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70422	0.5
53.03939	0.6
53.96868	0.4
55.01875	0.8
55.05493	0.6
59.06132	2.5
67.05495	1.5
69.07082	2.4
71.22119	0.4
71.28332	0.5
71.28642	0.6
74.09726	0.6
79.05484	1.4
81.00047	0.4
81.07069	3.3
85.07667	1.5
91.05493	6.0
92.05830	0.5
93.07047	2.2
95.08608	2.6
103.08720	2.6
105.03372	0.8
105.07033	3.0
107.08585	1.5
109.06542	0.9
109.10164	1.7
115.05444	0.6
117.07037	0.6
119.04852	0.4
119.08566	2.8
121.06516	0.7
121.10155	1.0
123.11699	1.0
128.06300	0.5
129.03383	2.8
129.06982	1.6
131.04924	1.4
131.08572	1.4
133.02892	1.0
133.10139	1.2
135.04460	0.6
135.08047	0.5
135.11656	0.6
141.05414	0.4
141.06970	1.5
141.44279	0.4
143.08530	0.8
145.10126	0.7
147.04428	0.5
147.08051	0.8
147.11714	1.6
148.12003	0.5
149.02328	1.4
151.03854	0.7
151.07578	0.8
152.06221	1.4
153.05469	0.4
153.07013	2.1
155.08575	3.2
157.02766	0.5
157.10091	0.4
158.07304	2.5
159.04413	0.5
159.08035	1.5
159.11670	0.5
161.02371	1.9
161.05962	1.3
163.03917	0.9
165.06987	1.8
167.03415	1.5
167.08577	4.1
168.05573	0.4
171.04442	0.9
173.09703	0.6
173.13284	0.5
175.03920	4.4
175.07579	0.5
177.05466	1.1
177.06943	0.9
178.07773	3.4
179.08589	6.2
181.06483	7.0
183.08034	1.7
183.56895	0.5
185.05981	2.0
187.03874	0.9
187.49771	0.4
189.05475	0.8
189.06989	1.1
190.07797	0.5
191.03432	0.7
191.08615	0.5
191.14365	0.6
195.06541	0.7
195.08044	2.4
197.05994	2.1
201.09100	1.7
201.16336	0.8
203.03464	4.6
203.07037	19.5
203.17920	1.3
204.07423	0.6
204.18303	0.8
207.08090	4.4
209.06007	9.5
211.07564	22.2
213.05515	0.9
214.06180	2.7
215.06915	0.8
221.06093	0.6
222.52031	0.4
223.07607	2.6
227.06999	1.4
229.08612	28.9
230.08882	0.7
235.07547	4.5
239.07050	10.2
242.05730	3.6
243.10214	0.5
245.08096	10.9
247.07491	0.6
251.07048	15.8
253.08611	1.5
257.08105	100.0
258.08414	1.3
263.07053	32.9
264.07443	0.8
265.08588	1.3
269.08109	2.4
271.02512	0.9
275.06964	0.7
277.08698	0.8
279.06595	0.7
281.08115	13.2
283.09607	0.7
291.06494	0.5
300.07980	0.4
303.06482	1.3
305.08121	0.7
319.06049	0.7
319.09662	0.5
331.06140	1.6
347.26282	0.5
371.09039	2.3
375.19479	3.0
387.19653	0.7
393.20819	2.1
397.12854	1.1
428.26431	0.5
461.13831	1.6
468.15936	0.5
479.14658	0.9
489.13425	2.6
507.14432	51.8
508.14594	1.8
509.15732	0.6
525.15491	14.9
564.28192	0.8
613.25232	0.8
631.26801	9.2
649.27533	5.8
649.36310	0.8
649.46478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34563	0.9
55.01877	1.5
55.05491	1.4
57.07076	2.5
62.49073	1.1
67.05506	2.2
69.07062	4.5
69.61536	3.8
69.61966	3.7
71.08638	1.3
79.05501	3.3
81.03427	2.2
81.07062	4.6
85.10226	1.1
91.05484	5.9
93.07041	2.7
93.43683	1.0
95.04976	2.2
95.08590	3.0
105.03384	1.6
105.07027	2.4
107.04922	1.0
107.08583	2.2
109.06521	1.2
109.10178	1.4
115.05444	1.6
119.08566	3.2
121.06559	1.2
128.06174	1.1
129.03369	4.5
129.07001	1.8
131.04945	1.6
131.08556	1.7
141.06982	1.3
145.06464	1.3
145.10178	1.1
149.02437	1.5
152.06207	1.9
153.06976	3.1
155.08588	3.3
158.07359	1.8
159.08009	2.0
161.02336	2.7
161.06010	2.2
161.09578	1.2
163.03926	1.7
165.06944	2.5
167.03416	2.2
167.08566	8.0
171.04355	1.2
175.03889	4.7
178.07750	5.4
179.08600	9.4
181.06514	9.9
183.08018	2.9
185.06026	2.6
187.07458	1.2
189.07019	2.3
191.03549	1.1
195.08041	3.9
197.05981	1.9
201.09085	2.5
203.03403	4.2
203.07027	25.3
203.17978	1.6
207.08096	6.8
209.05977	18.9
211.07544	25.6
211.09453	2.2
212.77876	1.4
214.06253	3.1
223.07631	1.9
227.06993	2.1
229.08611	31.1
235.07510	5.4
239.07014	14.8
241.08517	1.7
242.05759	4.2
243.06421	1.6
243.10197	2.5
245.08116	19.1
251.07051	21.5
253.08585	1.9
257.08099	100.0
263.07059	60.4
263.09949	2.0
265.08600	2.2
269.08215	2.9
273.14905	2.8
275.07047	1.5
277.08429	1.9
281.08133	17.1
301.14264	3.5
303.06534	1.7
313.27359	2.0
319.15500	2.1
331.05972	4.0
371.09213	3.3
375.19327	4.6
393.20499	3.1
413.16141	2.1
425.86981	1.1
461.13797	3.2
489.13116	1.6
507.14432	92.7
508.15045	2.0
525.07941	1.6
525.15430	23.4
543.97955	1.3
601.40851	1.7
613.40936	1.5
631.26837	18.0
649.27777	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	1.8
67.05497	1.8
69.03414	1.2
69.07063	1.6
71.58180	1.5
81.03416	1.0
81.07027	2.2
81.62840	0.8
85.02912	1.5
91.05471	1.9
93.07047	1.9
95.04945	1.0
95.08635	1.1
103.24841	0.9
105.07024	2.7
107.08604	2.3
107.16263	0.9
109.10155	2.2
118.94709	0.8
119.08581	2.3
123.08080	0.9
127.03919	1.2
133.10170	1.1
174.84900	1.0
197.13406	1.0
305.19894	1.1
321.07346	84.4
322.07617	1.2
351.08408	100.0
351.20020	3.2
352.08740	1.9
392.10788	1.5
446.48193	1.0
617.25439	1.1
649.09930	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
55.27087	0.3
56.23810	0.3
67.05483	0.6
69.03417	1.3
69.88290	1.9
70.34412	0.4
71.04997	0.7
75.04482	9.5
79.05486	1.4
81.07043	1.3
91.05477	3.5
93.07060	0.6
95.01332	1.0
95.04973	0.6
95.08607	0.7
99.04458	6.4
103.05442	0.9
105.03365	0.7
105.07024	1.6
107.04964	0.8
107.08591	1.2
108.05717	0.4
109.06508	1.3
109.10130	0.5
111.04440	1.1
115.05493	1.8
117.07012	1.0
119.04942	0.5
119.08601	1.7
121.06497	0.3
121.10123	0.9
124.05184	0.6
128.06213	0.9
129.07016	2.9
131.04945	2.5
131.08586	0.8
132.05695	0.8
133.02785	0.9
133.06514	1.0
133.10124	0.5
135.04428	0.5
135.08052	0.4
135.11641	0.4
139.07588	1.0
141.07076	0.5
143.04886	1.2
144.05693	1.4
145.06490	2.2
145.10118	0.8
147.04410	1.4
147.08055	6.5
149.02306	2.0
151.03908	3.5
151.07536	0.5
153.05531	0.3
157.06445	1.0
158.07304	3.2
159.04396	4.1
159.08058	0.6
160.05211	3.9
161.02359	7.2
161.06010	3.3
163.03902	1.4
163.07593	0.7
165.05429	0.8
167.03401	1.5
167.08626	0.4
173.05991	2.3
174.06786	6.9
175.03902	1.4
175.07559	7.9
175.09009	0.7
177.05438	0.6
177.09085	0.5
179.08630	0.4
183.06526	0.6
185.05942	2.9
187.03934	1.9
188.04805	0.4
189.05505	0.8
189.09135	3.6
191.06981	1.7
192.07806	0.5
197.09712	0.4
199.07590	0.6
201.05438	2.4
201.09059	0.4
203.07036	100.0
204.07373	1.4
205.04965	0.8
205.08562	0.5
211.07472	0.5
215.07014	3.1
219.06535	16.0
220.07057	0.4
225.09151	0.7
227.07088	1.3
233.08105	8.2
235.09747	0.5
241.08562	0.7
243.10182	8.9
245.04408	0.8
251.09123	5.1
269.05194	0.3
269.08038	1.3
271.09705	0.8
282.77994	0.3
323.09119	0.6
381.13449	1.0
393.13568	0.4
395.14584	0.8
397.08862	0.5
406.69885	0.4
421.12891	5.4
435.14508	3.4
449.12408	0.5
453.15491	3.8
481.14981	6.7
617.16034	1.2
640.13000	0.4
649.25854	1.3
649.35107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08948	1.6
53.03951	3.9
55.05511	7.0
57.07067	1.9
67.05510	16.6
69.03438	1.8
69.07072	10.4
71.58570	1.4
77.77373	1.5
79.05499	16.4
81.07063	25.9
83.08607	2.9
91.05485	32.2
93.07050	31.1
95.04986	4.7
95.08607	23.3
97.10192	2.2
101.96318	1.5
103.05450	1.4
105.07041	44.2
107.08601	33.9
109.06535	2.7
109.10164	21.6
117.07039	5.0
119.08585	36.0
121.10165	18.6
123.08085	1.5
123.11739	8.4
125.02309	2.6
129.07066	1.9
131.08577	5.2
133.06558	1.7
133.10153	25.2
135.11710	4.9
137.05978	9.4
143.08560	1.6
145.10115	8.8
147.08086	1.7
147.11691	53.1
149.09581	1.6
149.13268	7.5
153.01857	9.0
156.57599	2.0
157.10161	2.4
159.11678	2.7
161.02356	2.5
161.13268	9.7
173.13335	2.0
175.07465	1.8
175.11287	1.6
175.14821	4.4
185.04483	2.1
185.06085	1.9
185.13344	2.0
187.03848	1.9
187.14799	2.2
189.16483	1.8
199.14871	2.3
201.16403	5.7
203.07042	15.8
203.17966	100.0
213.09154	2.1
243.10213	7.4
255.10127	1.9
265.16370	1.6
269.19159	1.9
277.17929	3.8
286.23450	1.5
335.25888	3.0
344.54092	1.6
413.12430	3.2
427.26462	11.6
445.27264	5.7
463.28616	1.6
583.26617	1.9
597.28113	4.2
611.43042	3.1
615.29480	12.8
629.30817	8.8
647.32306	34.4
647.43878	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	647.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57429	1.7
55.05516	4.2
57.34418	2.1
59.06124	2.4
65.03922	2.0
67.05498	6.8
67.36884	1.8
69.07074	11.5
71.58546	3.5
71.58914	2.2
79.05487	10.9
81.03420	2.4
81.07059	10.8
90.66012	2.0
91.05482	19.7
93.07030	10.9
95.04974	3.2
95.08621	10.3
102.60155	1.9
105.07043	21.5
107.04956	3.1
107.08584	12.4
109.02894	5.3
109.06497	5.9
109.10155	7.1
115.03938	2.2
117.06982	2.7
119.04939	1.9
119.08597	19.9
121.06525	2.4
121.10146	6.8
123.11709	5.3
131.08548	4.3
133.02849	17.7
133.10126	8.7
135.04440	4.3
135.11699	3.1
137.05968	6.5
143.03421	5.5
143.08501	2.4
145.10085	4.7
147.04451	3.0
147.08061	2.3
147.11694	11.3
149.02399	2.4
151.03885	5.6
151.07559	5.2
157.10176	3.3
159.11668	4.1
161.02373	5.6
161.06097	3.0
161.13286	3.1
163.03841	4.6
165.05481	8.2
167.07042	3.6
173.05875	2.3
175.03976	4.0
177.05484	3.0
179.03470	2.6
179.07030	2.7
185.05946	4.4
187.03894	4.5
189.09212	2.3
191.03406	3.2
191.07072	3.7
193.04994	29.5
195.08049	2.9
199.07590	2.7
201.16383	3.4
203.07042	100.0
203.17891	9.8
204.07451	2.1
205.01433	2.3
205.05037	6.1
207.06561	8.7
208.07278	4.4
211.05914	3.5
219.02933	13.8
223.07582	3.0
229.08551	4.9
241.08624	5.1
243.10228	8.3
251.07097	2.8
253.08643	8.4
269.08023	12.6
307.09738	3.6
319.09659	2.4
321.11188	2.7
335.08972	9.3
347.12903	2.8
349.10870	4.8
365.13870	81.5
375.19467	2.9
377.96765	2.2
381.09668	6.5
383.15118	3.6
393.20569	3.3
395.11237	42.9
409.12735	4.2
410.81470	2.4
413.12198	8.2
427.14102	6.3
445.14850	2.5
615.29449	3.5
647.31744	4.8
647.46234	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	647.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01878	1.6
57.03431	1.0
59.05022	0.5
61.02923	0.9
65.03944	2.7
67.05489	0.6
68.99789	1.3
69.03433	6.3
71.00302	0.6
71.00615	0.4
71.04992	0.7
73.02926	0.9
77.03909	0.4
79.05496	1.1
80.63654	0.3
81.03425	5.8
81.07060	0.6
83.04948	0.5
85.02910	10.6
87.00834	3.5
88.31455	0.3
91.05482	1.9
93.03414	4.1
93.07041	0.8
94.04241	0.4
96.86320	0.3
97.02892	3.0
97.06524	0.5
99.04458	2.2
102.05504	0.5
103.05462	0.8
105.01870	2.5
105.03381	1.1
105.07074	0.4
107.04955	0.9
108.02049	0.3
109.02882	4.2
111.04453	3.0
115.01986	0.3
115.05447	0.7
115.79330	0.3
117.01841	0.5
117.07079	0.4
119.04960	3.5
119.08576	0.9
121.02888	2.6
121.06518	3.8
122.03619	0.6
123.04385	0.9
125.05995	1.6
127.03922	7.0
128.06224	0.4
129.01855	0.5
129.06995	0.7
130.06320	0.4
131.04947	0.6
132.10899	0.3
133.02858	24.1
134.03629	0.5
135.04425	4.7
137.02339	0.7
137.05980	4.9
141.05496	0.9
143.08600	0.4
145.04979	2.2
145.06525	0.3
147.04416	8.4
147.08054	0.9
149.02361	5.6
149.05962	2.7
151.03925	1.0
151.05040	2.1
153.05472	13.5
157.60994	0.4
159.02919	2.2
159.04430	5.0
160.05212	1.5
161.02376	5.8
161.05971	1.8
162.03123	1.1
163.03902	8.4
164.04703	4.9
165.05482	27.1
167.03416	3.3
169.06461	0.4
171.04420	12.8
173.05997	1.1
175.03963	0.9
175.07588	3.0
177.04280	0.5
177.05476	27.2
178.06259	29.2
179.07024	1.4
181.04974	0.7
185.05995	0.7
185.09686	0.5
187.03897	1.6
189.03996	0.6
189.09142	4.1
191.03490	0.4
195.08064	3.7
198.06720	3.1
199.03909	1.1
201.05457	0.5
203.07034	13.2
205.04933	1.5
206.05716	0.6
207.10164	3.0
213.09117	25.1
217.08653	0.7
221.08109	4.9
226.06329	0.4
226.82820	0.4
229.08659	0.9
231.05038	1.0
231.10182	9.9
233.08015	0.5
234.36728	0.4
241.08611	4.6
245.07820	0.3
251.07065	0.5
259.09680	1.3
267.06555	0.6
281.08063	0.4
293.11816	0.5
299.09088	1.6
309.07669	0.7
321.07843	0.6
324.06296	0.5
327.08487	0.9
339.08633	7.3
349.10767	0.5
353.13812	2.3
363.12354	0.9
371.14777	2.2
381.13358	38.4
382.13773	0.7
399.14404	100.0
400.14740	2.2
423.14383	0.4
441.15582	3.1
489.15884	0.6
507.16718	0.8
543.28522	0.7
647.31317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.2
55.01865	3.2
55.05511	33.1
57.03439	22.6
57.07071	5.1
64.98121	1.7
65.03941	5.5
67.05506	100.0
69.07069	23.6
70.94649	3.3
71.04995	3.8
71.08632	2.2
79.05497	72.0
81.07059	94.6
83.04985	5.1
83.08624	13.4
85.06549	3.4
91.05485	55.9
93.07047	85.5
95.04966	7.7
95.08615	68.8
95.09234	2.6
97.06544	6.4
97.10172	9.3
99.08121	2.6
105.04493	2.3
105.07037	48.7
107.08591	47.2
107.09291	3.0
109.06555	3.3
109.10167	38.8
111.08091	3.2
113.37094	1.7
113.74783	1.9
117.07018	17.4
119.08589	35.5
121.10144	32.5
123.08086	3.3
123.11719	6.9
125.09635	4.3
129.07016	4.8
130.07808	1.8
131.08583	22.5
133.10155	25.9
135.11705	22.6
137.09605	3.1
139.11142	2.2
143.08604	6.6
145.10123	17.7
147.11691	20.5
149.13268	11.4
157.10178	3.1
159.11707	17.2
161.13249	11.8
163.11229	3.3
163.14876	3.9
171.11772	4.9
173.13257	8.9
175.14859	5.7
176.14992	2.0
185.13301	7.1
187.14839	8.6
199.14931	5.4
201.16373	2.3
205.15971	3.3
216.48108	1.6
221.18979	2.6
227.12833	2.1
229.14449	4.3
241.19592	6.0
243.21315	2.7
259.20590	19.3
261.22205	8.5
277.21643	13.7
293.21182	3.6
295.22891	2.7
317.24698	2.4
333.24149	12.8
334.20685	2.3
335.25793	97.0
351.25266	26.2
370.99506	2.0
389.22684	2.6
390.23602	2.8
611.46863	20.8
646.47406	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34141	0.8
69.00140	0.8
71.56124	1.3
87.03681	0.8
101.85209	0.8
111.85008	0.7
117.62737	0.8
126.92734	0.8
136.03551	0.8
151.95714	0.7
163.85123	0.7
192.31647	0.7
220.56651	0.9
330.13138	1.0
365.96613	0.8
401.17587	1.9
403.18973	1.9
415.19229	1.1
416.20190	1.1
417.20816	1.5
429.16968	2.3
431.17783	3.9
433.23834	5.8
443.18463	1.2
444.19058	4.4
445.19147	4.7
446.20929	1.2
459.21780	40.0
460.22372	5.0
461.23386	5.9
467.67709	0.9
473.23117	2.9
475.20773	1.0
505.26346	1.4
519.23401	6.2
531.23615	3.3
535.26624	1.0
546.25757	2.4
547.27124	23.3
574.25775	2.9
591.25934	2.9
606.28381	100.0
607.28381	2.5
617.26172	1.1
646.30554	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	645.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26871	0.6
55.98137	0.5
57.03427	0.9
57.07080	2.6
67.05505	1.5
68.50478	0.5
69.07076	1.1
71.08635	2.3
71.49392	1.2
79.05507	1.0
81.07041	2.6
83.08618	0.8
89.06073	0.7
91.05453	0.6
93.07052	1.5
95.08603	2.5
105.07027	1.5
107.08608	1.2
109.10156	1.5
121.10084	0.6
133.08630	0.5
135.11653	0.7
141.54204	0.5
163.33864	0.7
171.26534	0.5
173.84995	0.5
198.91631	0.6
202.30518	0.5
209.42651	0.5
217.12241	0.5
218.59081	0.6
223.95982	0.6
300.36099	0.6
303.15823	0.8
313.27493	1.1
333.20389	8.4
389.22998	6.0
418.98468	0.6
559.39673	1.5
645.47040	100.0
646.47412	2.8
650.86365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96597	0.8
74.67970	0.5
94.79679	0.6
219.48540	0.5
239.71526	0.5
351.06754	0.6
387.15503	0.7
401.17932	1.4
402.18777	0.8
403.19370	2.1
415.19568	0.9
416.20129	0.7
417.20743	2.3
418.21445	1.3
429.17181	2.0
430.17548	1.1
431.17801	3.4
432.23590	0.7
433.23978	6.5
443.18253	0.7
443.42984	0.6
444.19043	4.3
445.19757	5.2
446.21027	1.7
459.21808	42.2
460.22406	8.4
461.23386	5.4
470.19705	0.7
472.21487	0.9
473.23465	2.6
476.21960	0.7
487.20331	0.8
489.23746	0.6
503.24762	0.6
505.26065	1.5
519.23364	7.1
520.23846	0.6
528.15759	0.6
531.24097	2.3
546.26086	1.7
547.27045	20.9
563.26410	0.9
574.25934	1.8
576.23737	1.3
578.28790	0.6
591.26074	2.5
606.28400	100.0
607.28638	2.8
614.28442	0.6
617.26068	1.4
646.31018	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	645.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07582	0.8
53.03938	1.2
55.01864	0.7
65.03934	1.9
69.03417	1.1
69.07052	1.3
74.68388	0.6
79.05495	2.3
81.03413	1.7
81.07068	0.7
85.02899	2.6
87.00820	0.7
90.77657	0.5
91.05498	1.9
93.03421	1.0
95.04989	1.0
96.61168	0.6
97.02905	1.3
102.15888	0.7
105.07001	1.0
106.04237	1.4
107.04944	2.2
108.05740	1.4
109.02880	2.3
109.06502	1.0
118.84612	0.6
119.05028	0.6
121.02905	1.6
121.06520	7.5
123.04462	1.6
123.08030	0.8
124.05233	3.2
127.03938	2.0
130.74573	0.6
131.01352	0.9
131.04941	1.9
133.02853	5.6
133.06479	1.4
135.04440	9.9
136.05212	2.4
137.05992	1.2
139.07547	8.4
145.06476	0.9
145.15224	0.8
147.04401	3.1
148.05188	2.4
149.02351	26.6
149.05992	8.6
151.03923	2.2
151.07558	24.7
155.07025	1.9
159.03043	1.2
159.04422	20.0
159.08032	1.1
160.05220	1.0
161.05978	3.4
162.03096	1.4
162.06750	1.8
163.03917	39.4
164.04718	4.8
165.05493	1.4
165.09111	1.8
167.03406	14.6
167.07077	7.8
173.05995	0.9
175.03943	2.4
176.04691	1.6
177.05482	23.1
178.06213	1.6
179.07045	59.9
180.07460	1.4
181.04997	2.0
181.08612	0.6
187.03909	4.9
187.11275	0.7
191.07030	12.7
191.10684	2.6
192.07806	12.5
192.09343	0.5
193.08585	4.6
200.08519	0.6
205.08611	7.6
215.10689	21.7
216.11108	0.8
219.06516	2.3
231.10153	0.7
243.10153	6.3
267.10294	1.2
281.08069	1.8
287.08423	0.6
299.09155	1.8
313.10709	5.2
323.09027	0.9
326.07819	5.5
329.10254	2.9
332.85611	0.6
339.15927	0.9
341.10220	56.2
342.10696	1.0
369.17072	1.5
383.11209	1.0
397.16507	100.0
398.16632	3.2
409.16534	0.8
439.17374	1.9
487.17041	0.8
496.18723	0.8
645.20422	0.8
667.87592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01868	0.7
56.96556	0.6
57.03422	1.4
61.02936	1.0
68.99786	1.1
69.03142	0.6
69.03442	6.9
71.05013	0.8
73.02914	2.3
81.03421	5.2
81.07065	1.1
84.08133	1.0
85.02912	9.5
87.00819	2.0
91.05487	1.2
93.07043	1.2
95.04936	0.6
95.08575	0.6
97.02888	4.0
98.21530	1.3
99.04454	2.1
103.03978	0.7
105.01874	1.1
105.07025	1.2
106.36237	0.5
107.08591	0.7
109.02884	4.9
109.10145	0.7
123.08037	0.5
127.03929	6.3
133.02861	0.7
136.07616	0.6
145.04942	1.7
153.05484	0.6
159.02937	1.1
161.13411	0.6
162.03191	1.5
165.07050	1.1
169.59882	0.5
177.05473	5.0
181.06503	0.6
187.06065	0.7
191.05382	0.5
195.04462	0.8
197.05862	0.8
203.07033	0.6
204.06534	1.3
205.06801	1.4
209.06000	1.0
221.06058	3.5
223.04050	0.7
225.05557	0.8
226.10823	0.5
227.11807	1.0
231.05159	0.7
237.05469	7.6
243.06654	0.8
249.05502	14.3
250.06270	0.8
251.03459	3.0
251.06906	0.8
261.05490	1.0
263.03458	1.3
263.07022	0.7
263.10681	1.6
265.04956	18.4
266.05731	1.4
267.06509	0.7
270.12918	0.9
271.06183	0.7
273.09146	0.9
275.07095	1.5
276.04623	0.9
276.07803	2.8
277.04971	37.5
278.05450	0.9
279.06644	1.3
280.07480	0.6
281.08099	1.1
282.05060	0.7
287.13959	0.6
291.06619	1.5
291.10184	5.7
293.04468	11.3
294.05164	1.4
295.13370	1.8
297.07584	1.7
301.08612	0.6
303.06522	0.8
304.07278	1.6
305.04538	16.3
305.08075	3.1
306.05252	1.9
307.05984	1.9
308.07190	0.6
309.07657	2.6
310.04733	1.0
319.09665	25.1
321.03955	18.8
322.04706	7.9
323.05539	1.5
325.07138	4.7
325.10971	0.8
332.06796	1.3
333.07483	0.8
335.05463	2.7
336.06302	31.8
337.07034	20.9
337.10806	14.1
347.09216	8.6
348.09976	1.7
349.07260	1.1
351.12192	3.2
364.09412	1.4
365.10199	6.0
366.11127	1.2
379.11795	67.2
380.12137	1.3
397.12845	100.0
398.13083	2.2
399.15247	0.8
400.15698	1.6
417.16418	0.7
439.13858	0.9
448.17361	0.8
459.17630	1.3
460.17813	0.9
553.33203	0.6
559.18127	5.3
601.18933	2.2
601.30188	0.7
613.25403	5.2
627.16980	0.6
645.18048	10.2
645.29633	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	645.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01876	1.0
57.03436	1.0
59.05020	0.6
61.02922	1.0
66.30715	0.6
69.03436	7.2
71.05000	0.8
71.58009	0.8
71.58373	0.5
73.02922	1.1
81.03427	5.5
85.02908	8.4
87.00834	1.8
87.04465	0.6
97.02908	4.4
99.04478	2.5
105.01889	0.9
109.02888	4.4
120.08057	0.6
127.03945	6.6
133.02870	0.6
133.13382	0.5
137.05981	0.7
145.04948	1.4
146.06009	2.8
147.04549	0.5
152.06160	0.5
159.02931	0.5
161.05972	0.5
162.03120	1.0
165.05580	0.7
165.07018	1.0
177.05511	4.4
181.06496	1.0
185.05969	1.0
187.06015	0.9
193.06549	0.8
205.06735	0.6
209.06044	1.6
221.06009	3.8
223.03938	0.6
224.04640	0.8
225.05510	0.8
231.05023	0.8
237.05495	6.4
238.06166	0.8
239.09444	0.7
243.11375	0.7
245.09787	0.6
248.08344	0.9
249.05495	13.7
249.09253	0.7
250.06242	0.9
251.03448	3.7
255.11278	0.9
261.05652	0.9
263.03461	1.4
263.06726	0.6
263.10687	0.9
265.04980	17.6
266.05804	1.4
266.08969	0.5
267.06519	0.6
273.09290	0.5
275.07172	0.9
276.04352	1.0
276.07867	1.9
277.04993	35.7
278.05380	0.8
279.06711	0.7
281.07941	1.1
282.05142	0.5
285.12296	0.8
291.10135	5.2
293.01233	0.6
293.04468	11.0
294.05173	1.4
295.05902	1.0
295.13336	1.3
297.07675	1.1
299.13913	2.3
301.08633	1.0
303.06656	0.7
303.13403	1.9
304.07343	1.4
305.01059	0.9
305.04565	13.2
305.08057	2.3
306.05258	2.4
307.05966	2.0
309.07629	1.5
309.11096	0.7
310.04630	1.2
311.10214	0.7
319.09680	25.0
320.09955	0.8
321.03976	18.0
321.07343	0.7
322.04749	7.2
323.05576	1.4
325.07129	3.9
325.10947	0.7
332.06927	0.9
333.07471	1.1
335.05646	2.6
336.06293	29.1
337.07059	19.9
337.10818	14.5
343.13089	0.6
347.09265	7.5
348.10031	1.8
350.07956	0.6
351.12302	2.6
361.10825	0.6
364.09503	2.4
365.10233	6.0
366.10876	1.7
379.11789	60.2
380.12225	0.8
382.10620	0.9
397.12863	100.0
398.13104	1.6
439.13849	1.3
448.18774	1.5
469.63809	0.5
474.16235	0.6
559.18311	4.7
601.19342	1.4
601.31934	1.4
613.23163	1.5
627.25244	0.7
645.18005	10.3
645.30548	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35484	1.0
56.96550	1.3
65.03944	2.3
67.05508	1.9
69.03429	2.0
71.56066	1.4
71.56516	1.3
79.05495	3.8
80.05015	2.0
81.03408	2.1
81.07059	2.3
82.06573	3.1
85.02910	1.8
87.26273	1.0
89.03900	1.2
91.05487	4.2
93.07043	4.4
94.06570	6.5
95.04972	2.4
95.07353	3.2
95.08611	1.6
96.08131	9.1
97.02866	1.5
97.06524	2.2
103.05424	1.7
105.07009	2.3
105.50723	1.0
106.06565	1.6
107.04927	1.8
107.08585	1.9
108.04472	4.2
108.08121	11.3
109.02861	1.6
110.09683	12.2
116.04973	5.2
120.04478	5.6
120.08118	10.4
121.06502	1.5
122.06046	5.6
123.04404	1.4
124.07581	8.4
129.10468	1.1
131.08530	1.1
134.06033	3.4
136.07594	11.0
137.02356	1.5
137.05965	2.3
138.09135	13.4
144.04462	7.8
146.06004	7.5
147.04457	1.4
147.11707	1.4
148.07553	4.2
150.09123	1.3
152.07045	3.0
160.03955	2.9
162.05516	4.4
164.07085	2.6
166.08646	15.7
167.07068	8.3
169.10033	1.3
172.03943	28.2
173.05997	1.6
174.05536	1.6
176.07076	3.9
177.05542	1.2
181.04979	2.7
182.09679	2.0
184.09917	1.6
186.05534	1.2
190.04982	19.5
191.07053	3.8
197.10793	3.9
199.12273	2.9
204.06563	42.4
209.10658	1.5
210.09320	1.8
211.08643	4.3
212.09497	2.5
223.08696	2.3
224.09265	1.7
225.10251	11.9
226.10907	1.7
227.11803	18.6
236.09361	3.2
237.10202	6.4
238.10869	1.3
239.11765	4.7
241.09760	2.0
241.13394	1.7
243.11421	1.8
249.10297	3.8
250.11166	1.5
251.07845	1.5
251.11801	4.9
253.09715	8.6
255.11238	1.9
263.08301	1.8
263.11823	2.3
264.08932	4.5
265.09714	4.5
267.11450	5.9
269.08618	1.6
269.09564	1.4
269.12793	19.2
271.10818	10.4
271.13962	1.6
273.12454	8.3
277.09744	3.7
279.06689	1.9
279.11240	5.8
281.12906	1.8
283.06009	2.0
283.10748	8.6
284.11609	3.8
285.12491	8.4
286.13193	1.2
287.13937	20.1
291.11423	1.8
293.09070	2.2
294.09875	1.5
295.06033	2.5
295.10760	2.3
297.12329	11.3
299.11032	1.2
299.14056	6.5
300.11618	1.5
302.12891	1.6
307.05643	1.7
307.10709	2.8
311.09058	6.6
313.07040	4.0
313.12204	3.3
314.12869	3.9
315.13788	1.6
316.14371	2.2
323.10260	10.5
325.11850	29.0
326.12753	2.5
326.16345	2.2
327.13687	5.3
328.10773	3.4
328.14459	2.9
329.15118	1.6
330.12381	2.0
330.15979	3.9
335.10046	1.7
339.13559	6.2
340.10764	1.3
340.14450	1.3
341.11819	2.4
342.12384	11.4
343.13004	8.6
344.13861	1.5
344.17493	1.5
352.14661	2.4
354.12234	2.3
355.13113	4.5
356.13937	7.1
357.14584	10.5
358.15506	4.8
366.16000	1.4
367.12271	2.3
367.15741	3.3
370.11505	1.7
370.15512	6.8
371.16202	2.3
373.14117	1.4
377.20010	1.5
377.26645	2.2
380.13965	1.5
382.11816	6.2
383.12589	3.9
384.13293	4.7
384.17609	1.8
385.14014	3.3
386.14767	3.6
386.18726	4.2
387.15601	1.4
388.16223	1.6
390.18167	3.2
394.15509	1.3
395.14926	10.4
395.27737	1.7
398.15002	23.1
399.15781	27.5
400.16357	3.3
402.18243	2.5
404.16089	7.4
407.12701	1.1
412.16602	1.8
414.18130	5.6
416.16022	21.0
417.15652	4.4
422.17044	3.1
428.16071	2.4
430.17542	3.8
440.15887	6.7
446.17136	18.5
448.18872	2.3
458.17145	53.2
474.16241	1.4
478.20001	1.7
490.19839	10.1
520.20917	14.1
553.42102	1.2
557.33167	1.5
565.24738	2.5
567.25885	4.2
569.24042	9.0
575.23389	1.4
578.37976	1.3
583.25317	3.8
593.24072	9.8
611.25012	100.0
612.25012	2.7
643.15778	1.7
643.27155	5.6
643.32446	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	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
56.22970	0.7
56.96562	0.6
62.06197	0.6
65.03931	1.1
70.79747	0.8
70.80077	1.2
74.26465	0.5
79.05483	1.6
80.05027	1.4
81.07077	0.8
82.06580	1.1
88.13044	0.6
89.03925	0.8
91.05485	1.8
92.05025	1.3
93.03380	0.5
93.05795	0.8
93.07042	2.4
94.06584	6.4
95.04964	0.8
95.07368	3.3
96.08135	7.6
98.07774	0.6
98.42660	0.6
103.05479	0.8
105.69160	0.5
106.06578	2.0
108.04493	2.5
108.08130	11.1
110.09681	11.4
116.04994	2.9
116.77530	0.6
118.06569	0.9
120.04491	4.8
120.08123	8.4
122.06033	4.5
124.07594	7.0
134.06046	4.1
136.07588	9.2
138.05577	0.9
138.09140	11.8
144.04456	7.6
144.08115	0.6
146.06004	6.6
148.07570	3.5
152.07100	1.8
160.03931	3.6
162.05533	5.3
164.07126	2.2
166.08669	12.6
167.07495	0.9
172.03944	28.2
172.07585	1.2
174.05510	2.9
176.07068	3.9
182.08359	1.1
182.09775	1.0
183.09233	0.9
184.09958	0.9
186.09175	1.2
187.08722	0.9
190.05002	19.8
195.09235	0.9
196.09952	1.3
197.10793	3.4
198.11519	0.6
199.08690	0.8
199.12315	2.5
204.06561	40.0
209.10777	1.8
210.07600	0.9
210.09308	1.7
210.11528	0.8
211.08688	4.5
211.12302	1.3
212.09502	2.5
213.10338	1.1
221.10858	1.0
223.08688	1.9
223.12436	1.4
224.09482	1.8
225.10222	11.2
226.11012	1.5
227.11812	17.0
229.13588	0.6
233.10872	0.7
235.08763	0.6
236.07310	0.7
236.09395	3.2
237.10301	4.0
238.11003	1.9
239.11853	5.0
241.09793	1.6
241.13289	1.4
243.11214	0.7
249.10326	1.6
251.08174	1.4
251.11868	4.2
253.09735	6.9
253.13524	1.0
255.11314	1.7
257.12988	1.0
261.10284	0.7
263.08276	2.0
263.11957	0.8
264.09000	3.5
265.09900	2.1
267.11383	2.4
269.05069	0.8
269.08301	6.2
269.12857	21.2
271.06174	0.8
271.10757	11.2
273.12354	7.1
277.09811	2.6
278.10742	0.7
279.11252	3.8
281.09412	1.0
281.12915	1.4
283.10736	7.3
284.11523	5.3
285.12411	7.1
287.13919	19.8
289.13205	0.8
293.09344	1.1
294.10062	0.7
295.10815	2.2
296.03519	0.6
297.12369	10.2
298.13770	0.7
299.14059	6.3
300.11667	1.2
301.12375	1.2
302.12961	1.0
305.09320	0.8
307.10953	1.8
311.14365	0.8
312.14890	1.6
313.11932	2.7
314.12878	2.3
315.13715	2.2
316.11078	1.3
316.14569	2.3
317.15317	0.7
323.10318	7.4
324.14771	0.9
325.11844	30.0
326.13013	1.2
326.16550	1.8
327.13641	4.8
327.17429	1.3
328.10919	3.8
328.14633	3.3
329.11673	0.8
329.15195	1.5
330.12579	1.1
330.15897	2.7
331.16788	2.3
338.13092	0.8
339.13486	1.9
341.11682	3.2
342.12363	9.6
342.16174	1.6
343.13016	6.0
344.14096	1.8
344.17697	0.7
352.14484	1.2
353.12903	0.9
354.12384	1.6
354.16336	1.3
355.13528	2.6
356.13861	7.0
356.17703	0.7
357.14536	8.8
358.15399	6.0
365.11435	1.7
367.13367	1.2
368.17941	0.8
370.11639	1.2
370.15616	5.8
371.16440	1.8
372.17230	1.1
378.18439	1.5
380.13901	0.8
382.11893	4.7
383.12622	3.2
384.13226	5.4
384.17490	0.6
385.14197	2.7
386.14932	2.4
386.19333	2.8
388.16467	1.2
390.18344	3.5
394.15613	1.5
396.17648	0.7
398.15002	21.0
399.15805	29.0
400.16675	2.3
401.13638	0.8
402.18262	1.8
404.16049	6.6
412.16577	2.5
413.17398	0.9
414.18179	3.9
416.16049	21.8
417.16522	1.1
422.16989	2.4
428.15982	3.2
430.17807	3.5
440.16049	7.6
446.17130	18.5
448.18427	1.6
458.17151	47.3
459.17511	1.6
460.18658	1.4
478.19894	1.3
490.19843	8.8
523.23169	0.9
539.26062	1.0
565.24701	2.3
567.25958	3.4
569.23840	10.9
583.25293	3.1
593.23981	11.4
602.87305	0.7
611.25024	100.0
612.25104	2.3
625.13452	1.1
643.14771	2.2
643.27472	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	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50718	1.2
53.03940	1.5
54.60332	1.4
63.10609	1.5
63.39151	1.5
67.05486	2.7
69.03426	2.3
70.23220	3.3
79.05479	4.6
81.07043	2.7
85.02909	2.3
86.62985	1.3
91.05457	4.3
93.07024	5.1
94.06580	9.4
95.07334	3.1
96.08128	12.0
98.21458	2.5
105.07005	3.7
106.06543	2.6
107.08597	1.6
108.04485	4.7
108.08110	13.8
110.09671	16.1
116.05010	2.6
117.07050	2.0
120.04469	5.0
120.08110	12.3
121.10109	2.9
122.06111	3.1
122.72863	1.6
124.07578	7.5
131.08524	1.8
134.06000	4.3
136.07570	15.2
137.17686	1.7
138.05489	2.1
138.09145	15.3
144.04445	6.1
145.10109	2.1
146.06027	8.0
148.07567	5.6
150.09094	2.7
152.07091	2.0
160.03920	4.4
162.05586	3.6
164.07007	2.6
166.08638	21.5
167.07040	4.7
172.03932	29.4
173.05925	1.9
174.05553	2.3
176.07071	3.1
181.04965	3.1
190.04988	19.3
197.10693	3.3
199.12436	2.4
204.06560	47.6
209.10780	2.4
210.09261	2.1
211.08620	3.8
211.12169	1.6
212.09407	2.7
213.10219	3.0
219.10344	2.2
223.08751	2.0
224.09302	2.5
225.10257	11.5
226.10876	1.7
227.11772	14.9
235.08690	4.3
236.09447	4.2
237.10294	8.8
238.10898	4.3
239.11710	3.8
241.09793	3.1
243.11192	1.5
247.08696	2.4
248.09364	2.9
249.10233	10.5
250.10953	10.2
251.11751	10.3
253.09790	7.7
255.11301	2.3
261.10175	4.1
262.10962	3.0
263.08221	2.5
263.11789	17.9
264.09018	3.5
264.12582	2.6
265.09738	5.9
266.10406	2.5
267.11270	2.0
268.93005	1.5
269.12851	18.9
270.05002	1.5
271.10736	10.8
273.12350	6.3
277.09756	4.8
278.10425	1.8
279.11301	20.3
281.09589	1.7
281.12872	3.5
282.10114	1.9
283.10712	9.6
284.11505	5.1
285.12354	11.6
287.05466	5.9
287.10944	2.3
287.13947	18.1
289.09647	2.3
291.11240	8.4
293.12814	2.3
294.09879	2.4
295.10779	4.3
297.12436	10.0
299.05396	3.0
299.14001	6.2
302.12845	2.5
303.13654	2.1
307.10706	6.9
309.12286	8.0
311.14023	1.8
313.06934	1.7
313.11957	2.2
314.12939	3.4
315.13733	2.6
319.10669	3.5
323.10190	9.7
323.13763	2.7
325.11774	26.6
327.05350	1.9
327.13571	6.0
328.10870	3.7
328.14365	3.6
329.11334	2.2
330.15973	3.2
331.17142	2.3
335.09875	4.4
337.11780	11.2
338.81653	1.8
340.14322	4.0
341.11356	2.8
342.12485	8.1
342.15994	3.0
343.13040	5.4
344.17593	2.0
353.10406	2.1
354.12589	2.3
354.16690	2.2
355.13034	9.2
356.13864	4.9
357.14456	20.7
358.15402	5.0
365.10980	1.8
367.12799	9.8
368.13742	2.2
369.14575	3.1
370.15579	7.9
372.16925	1.8
382.11948	5.0
383.12518	2.6
384.13287	5.6
386.14728	4.3
386.19016	3.6
390.18048	4.4
398.15021	18.4
399.15823	27.4
400.16550	2.7
404.15924	5.4
414.18268	3.9
416.16086	20.0
428.15857	3.2
430.17615	4.4
440.15973	8.3
446.17017	18.0
447.17783	1.8
448.18417	4.3
456.15732	2.0
458.17090	51.6
460.18616	3.1
474.16571	3.3
478.19455	2.8
488.17679	3.0
490.19852	13.4
520.20868	49.2
521.21277	8.0
522.22388	32.5
565.24463	2.4
567.25720	3.9
569.23962	9.8
583.25281	3.4
593.23975	12.1
599.33197	4.7
611.24988	100.0
612.24921	1.7
615.56360	1.8
643.13477	11.7
643.31287	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
59.46128	0.6
65.03940	0.9
70.08831	3.1
79.05514	1.6
80.05012	0.7
81.05788	0.7
81.07050	1.0
89.03943	1.3
91.05483	1.6
92.05067	0.7
93.05775	0.8
93.07024	1.9
94.06583	4.6
95.07349	1.7
96.08139	4.3
105.07059	0.9
106.06554	0.8
107.08559	1.2
108.04499	2.0
108.08115	10.0
110.09692	6.7
116.05009	4.9
118.06499	1.3
120.04512	3.1
120.08121	6.3
121.06477	0.8
122.06053	4.5
124.07581	2.5
133.63354	0.6
134.06013	2.8
136.07582	7.0
137.02312	1.1
138.05493	0.8
138.09151	8.9
144.04459	11.6
146.06026	5.5
148.07573	2.0
150.09233	1.1
151.03842	0.7
152.07115	0.9
160.03958	2.6
161.07094	0.6
162.05510	5.2
164.07045	1.9
166.08653	11.9
167.07187	0.8
172.03951	49.0
174.05554	2.0
176.07095	2.9
182.09741	1.2
183.09184	1.1
184.09958	0.7
190.05000	9.8
196.03682	0.8
196.09996	1.2
197.04482	1.5
197.10747	2.9
199.08694	1.1
199.12274	1.9
204.06578	100.0
205.06865	1.1
205.59946	0.7
209.10643	1.2
210.11290	0.7
211.08672	3.3
212.09427	2.5
223.08693	1.0
224.09392	1.2
225.10257	9.4
226.10950	1.3
227.11809	12.3
235.08681	0.8
236.09537	1.9
237.10257	3.5
238.10992	1.1
239.11729	4.2
241.09645	1.3
241.13306	1.5
245.12883	0.9
248.09457	0.9
249.10254	1.5
251.08133	1.1
251.11804	2.9
252.08832	1.2
253.09778	4.1
253.13454	0.8
255.11137	0.9
264.08948	1.8
265.09833	1.3
266.10651	1.0
267.11264	2.5
269.12851	11.0
270.05377	0.9
271.06088	1.1
271.10760	8.4
273.12387	5.4
277.09705	1.3
279.11304	3.0
281.12726	1.5
283.10779	6.4
284.06937	0.8
284.11594	3.5
285.07611	1.8
285.12408	5.5
286.13016	1.2
287.10880	1.4
287.13937	20.3
293.09119	0.7
295.10822	1.4
297.12378	7.3
299.05576	1.1
299.14011	3.2
300.06299	0.7
300.11212	0.9
302.13049	1.3
309.12103	1.1
311.14249	1.1
312.15057	1.6
313.06924	1.0
313.13120	1.0
314.04108	1.1
314.13089	2.0
315.13840	1.1
316.10696	0.9
316.14386	1.2
323.10202	5.7
324.15112	0.9
325.11807	9.6
325.15347	0.8
326.16592	1.4
327.13498	3.5
327.17145	1.1
328.10660	2.7
328.14410	2.7
329.06625	1.2
329.11566	1.1
329.15173	1.8
330.12360	1.2
330.15997	2.1
331.16901	2.3
339.13577	1.7
341.11707	1.8
342.12457	5.2
342.15939	1.1
343.13251	3.2
343.16873	0.8
344.13925	0.8
345.09747	1.3
354.16129	0.8
355.12988	1.7
356.13824	6.4
357.14496	20.9
358.15527	4.0
359.07608	1.4
360.08469	1.8
366.16101	0.8
367.13013	1.0
370.11438	0.9
370.15735	3.3
371.16183	1.0
372.17322	1.1
378.18338	0.8
380.13651	0.9
382.11615	3.9
383.12466	2.0
384.13226	3.3
385.14188	2.1
386.14865	2.5
386.18860	2.2
387.15921	0.9
388.16452	1.0
390.18164	2.7
397.15082	1.0
398.14993	15.3
399.15778	23.1
400.16422	2.1
401.13593	1.1
402.18185	1.0
404.16193	4.4
412.16547	2.3
414.18036	2.4
415.15872	0.8
416.16101	15.8
422.16968	2.0
428.16165	1.6
430.17606	2.9
440.16083	4.3
446.17120	12.6
448.18802	1.1
458.17166	35.7
460.18713	1.1
474.16547	1.6
478.19775	2.3
490.19763	12.4
552.23718	0.9
565.24518	2.1
567.26257	3.4
569.24164	7.2
583.25751	3.1
593.24109	8.8
611.25043	75.0
612.24823	2.4
643.14313	7.7
643.27277	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	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
56.96556	1.5
63.30747	1.0
65.03948	1.2
67.05487	1.4
69.65912	6.6
70.71181	0.9
79.05469	2.7
80.05000	1.2
81.07046	2.4
82.06539	1.4
83.49261	1.0
85.02880	1.4
91.05497	5.3
93.07049	7.1
94.06580	6.6
94.07072	1.3
95.04980	2.1
95.07356	6.1
95.08636	0.9
96.08134	11.5
97.02867	1.3
97.06521	1.5
98.21568	1.1
103.05448	1.2
105.07014	2.8
107.08596	1.6
108.04477	2.8
108.08119	6.8
110.09692	20.9
117.91793	0.9
120.04517	1.2
120.08109	14.9
121.06511	1.4
122.06045	4.9
123.06797	1.3
133.02835	1.0
133.10112	1.0
134.05994	1.2
136.07576	6.5
137.90114	1.0
138.09143	21.3
148.07605	4.9
151.03873	2.0
159.11801	1.1
160.03879	0.9
161.05931	1.1
166.08641	34.1
167.07030	1.1
171.11729	1.2
183.06685	1.0
186.09155	1.0
187.08694	1.3
199.08638	3.8
201.10225	1.0
204.06516	2.3
211.08673	4.1
212.09508	1.1
213.06546	2.6
213.10202	1.1
223.08653	1.3
224.09509	1.4
225.06699	1.4
225.10161	6.5
226.11005	1.5
227.11783	2.4
235.08713	1.5
236.09419	2.0
237.10211	3.9
239.08255	1.5
239.11667	2.3
241.13335	3.8
249.10318	8.0
250.10957	1.2
251.08258	3.0
251.11844	5.2
252.12505	1.4
253.09682	3.6
261.10147	2.3
263.08170	1.6
263.11835	2.2
265.09671	2.6
266.10400	1.7
267.11386	5.0
269.12769	4.3
277.09686	2.6
279.11227	5.1
281.12769	1.2
283.10803	3.2
284.11749	2.2
285.12402	3.1
289.09387	1.2
291.11279	1.4
295.10834	1.8
296.02951	1.2
296.12076	0.9
297.03775	1.0
298.13364	1.2
299.05832	1.4
302.12686	1.1
305.09250	1.1
309.12408	1.4
311.05209	1.7
311.13840	1.2
312.11819	1.3
313.10883	3.1
314.12897	3.6
316.10483	1.5
316.14282	1.8
323.10202	1.9
324.11432	2.2
326.09656	1.1
326.13000	2.4
327.13766	3.0
327.17365	1.2
328.14484	6.2
329.11572	2.1
329.15482	1.2
330.12363	6.7
330.16003	1.8
332.08078	2.4
337.11728	2.0
338.12921	1.5
339.13873	1.4
340.14502	1.9
342.12354	10.9
342.16043	4.3
343.13123	2.3
343.16852	3.4
344.13892	4.3
345.14801	2.6
352.14450	1.4
354.12241	2.1
355.12994	7.9
356.14014	7.5
356.17682	1.5
357.14722	8.0
358.15393	4.8
358.19412	1.7
362.18661	2.7
366.16068	1.8
367.13336	1.9
368.13840	1.3
369.14862	1.7
370.11679	2.9
370.15582	5.4
371.16318	6.2
372.13043	1.9
372.17126	4.7
373.14224	8.8
382.15643	1.9
384.12808	1.8
384.16998	3.8
385.14197	5.3
385.18585	1.0
386.14636	1.5
386.18835	2.0
387.15591	1.2
394.15350	1.7
398.14984	3.5
399.15601	2.5
400.16635	8.7
401.17294	1.2
404.15955	1.7
412.16608	5.1
414.18332	2.1
416.15704	2.1
417.16916	1.8
418.17572	11.3
428.16031	4.7
430.17566	10.5
440.16159	3.3
446.17145	46.9
448.19363	1.1
458.17166	9.9
478.19757	68.7
479.20007	1.7
490.19754	100.0
520.21271	1.3
565.24127	3.6
583.25220	4.2
593.23657	4.3
611.15076	1.3
611.25012	25.2
625.26990	4.8
643.13696	2.8
643.27197	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	643.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34317	0.4
65.06791	0.5
67.05499	0.7
69.07082	0.4
70.82510	0.9
70.82845	0.9
80.39708	0.4
81.07061	0.8
90.02624	0.5
90.92284	0.5
91.05467	0.6
98.21104	0.9
99.34161	0.4
119.08626	0.5
128.57320	0.4
141.19142	0.5
191.35376	0.5
198.42953	0.5
203.50372	0.5
227.22693	0.5
254.46222	0.5
278.70691	0.5
634.47394	0.5
643.25262	100.0
644.25580	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27760	1.7
53.03938	2.1
67.05524	3.8
70.00616	1.8
70.05334	7.3
72.73487	1.8
79.05505	4.2
81.07063	2.7
83.50151	1.7
91.05479	3.5
93.07062	9.6
94.06577	11.2
95.07342	11.3
95.08628	2.3
96.08129	23.6
105.07050	3.4
108.04507	2.6
108.08121	16.3
110.09696	33.9
114.11006	1.9
118.06559	2.7
120.08106	29.5
122.06055	7.8
122.09749	2.3
131.07362	2.7
134.06036	2.5
136.07607	6.6
138.09148	41.7
146.06032	2.2
146.09688	3.0
148.07574	6.4
160.04005	2.2
166.08647	47.3
172.07657	3.4
173.08408	2.1
174.05574	2.3
174.09164	4.9
187.08688	4.0
188.09518	3.0
190.04906	2.7
199.08688	14.7
204.06604	3.9
209.10789	2.1
211.08693	9.8
213.06598	6.1
225.06500	4.2
225.10225	9.8
226.10892	3.0
227.08205	2.5
227.11836	5.3
235.08745	3.4
236.09387	2.6
237.10225	7.4
239.08145	3.9
239.11911	4.9
241.13272	2.2
243.11305	3.0
249.10278	14.2
250.10907	3.0
251.08109	4.6
251.11882	4.4
253.09724	4.8
255.07742	3.1
261.10358	4.0
262.11075	2.2
263.08139	4.8
263.11932	3.4
264.08856	2.4
265.09842	5.6
267.11267	7.9
269.12790	3.8
271.10886	3.5
277.09836	6.3
279.11334	3.6
281.09341	5.4
284.11649	2.2
285.12350	9.2
291.11075	2.5
293.09256	3.2
295.10730	3.4
299.14349	2.4
301.12671	2.4
305.09372	3.8
309.12363	2.2
312.11392	2.4
314.12900	5.3
316.14557	3.1
323.10181	3.7
326.13107	2.8
327.13901	4.6
328.14459	8.4
329.15552	3.5
330.12482	12.4
340.14383	3.0
341.06079	2.0
342.12411	19.8
342.16168	5.3
343.13254	4.5
343.16913	3.2
344.13922	7.6
344.17679	2.8
345.14758	5.7
355.13065	11.7
356.13953	10.9
356.17740	3.3
357.14832	11.4
358.15463	8.7
362.18402	3.0
366.16080	2.9
367.13663	3.0
368.13831	4.2
368.17776	2.5
369.15292	2.1
370.11765	6.2
370.15695	6.1
371.16376	7.0
372.13248	3.2
372.17203	7.2
373.14172	11.8
384.13199	5.3
384.17401	11.4
385.14191	7.1
386.14587	2.9
386.19000	4.3
394.15747	2.3
398.15054	7.9
399.15839	7.4
400.16592	12.8
402.18445	9.1
412.16501	9.2
414.18164	11.1
416.16077	2.7
418.17789	10.8
422.15030	2.2
428.16116	52.0
430.17673	11.6
440.16028	14.0
446.10861	4.8
446.17105	91.1
447.17285	2.7
458.17157	84.5
478.19760	77.0
490.19760	100.0
491.19803	2.6
583.24945	4.5
593.24133	10.7
611.14966	3.6
611.25006	64.7
625.26886	4.8
643.27344	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	643.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01484	0.3
55.05566	0.8
57.03506	0.3
57.07132	0.3
57.63697	0.4
63.19148	0.4
67.05241	0.7
67.05604	1.7
68.44598	0.3
69.07164	1.0
69.58666	1.2
69.59093	1.3
71.04746	0.3
71.05096	1.0
72.05412	0.3
73.11487	0.3
79.05600	1.8
81.07173	1.8
83.05087	0.4
83.08711	0.6
91.05614	2.4
93.07165	1.5
95.08736	1.7
101.73000	0.3
105.07178	2.0
107.08746	2.0
109.06604	0.5
109.09630	0.3
109.10284	0.9
117.07154	0.7
119.08607	1.7
121.10262	0.8
131.08672	0.6
133.10257	0.9
135.08189	0.6
135.11852	0.4
145.10272	0.8
147.11818	0.5
156.66374	0.4
157.10291	0.7
159.11839	0.6
161.09721	0.7
161.13429	0.4
252.20563	0.4
269.90726	0.4
273.18652	0.8
275.20328	0.5
311.90826	0.3
335.26071	0.6
396.12296	0.4
397.13214	1.2
398.14038	0.8
409.13303	0.6
410.13599	2.2
411.14590	3.9
412.15359	1.9
413.16235	1.1
423.15189	0.6
424.11157	0.7
424.15897	1.2
425.16223	8.2
425.21661	0.5
426.16910	6.3
427.17822	0.7
428.18451	0.4
437.16699	0.7
438.12408	2.2
439.13278	6.0
439.19101	1.1
440.19366	2.0
441.19357	23.1
442.19604	1.3
451.14081	0.5
452.14346	2.9
453.15378	8.9
454.16016	2.9
458.16318	0.4
463.14014	0.6
465.15924	0.6
466.17554	0.5
467.17197	19.1
468.18042	9.5
469.18863	11.6
472.18051	0.4
474.58261	0.4
481.14917	11.8
482.15271	2.6
495.17068	1.8
496.17218	13.1
497.18060	1.5
509.18405	1.9
512.20612	0.9
514.22449	0.9
523.19757	1.4
527.22675	1.5
542.21698	0.8
555.22485	18.7
568.19849	0.7
583.21948	100.0
584.22247	5.2
587.25146	1.1
593.26221	0.5
611.21368	0.7
614.23468	0.5
615.24554	6.0
625.29413	0.4
625.44409	0.5
643.23816	21.9
643.45844	1.2
644.23737	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
58.22772	0.2
65.05067	0.2
67.05513	0.6
68.24440	0.2
69.07085	0.4
69.71674	1.4
72.67793	0.3
74.64967	0.2
78.68583	0.3
79.05473	0.5
81.07063	0.6
91.05486	1.0
92.84784	0.3
93.07034	0.7
94.68641	0.3
95.04980	0.3
95.08572	0.4
105.07029	0.7
107.08590	0.7
109.10180	0.5
119.08589	0.7
121.10110	0.4
135.11671	0.3
145.06636	0.3
145.10147	0.3
147.11646	0.3
149.02386	0.4
207.06403	0.3
251.06923	0.6
257.07928	0.3
286.26801	0.3
329.93262	0.3
365.13965	0.6
381.13260	0.4
389.33047	0.3
395.11029	0.3
396.12216	1.3
397.13116	2.3
398.13965	0.8
399.14673	0.5
409.13196	0.8
410.13913	3.0
411.14590	6.3
412.15411	3.5
413.16113	2.1
414.16782	0.3
423.10107	0.6
423.15549	1.3
424.11386	1.3
424.15521	2.3
425.16330	12.3
426.16925	9.1
426.22675	0.5
427.17880	1.7
428.18982	1.3
436.15601	0.3
437.16275	1.1
438.12424	3.7
438.18063	0.7
439.13675	15.9
440.13611	0.8
440.19226	5.0
441.19327	38.6
442.19675	2.0
444.18082	0.3
451.13315	0.5
451.18427	0.5
452.14359	4.0
453.15381	16.4
454.16122	4.3
457.15009	0.5
458.15567	0.4
463.13657	1.2
465.15311	0.6
466.12552	0.7
467.17172	27.2
468.17929	14.7
469.18890	12.2
470.19162	0.3
471.16763	0.8
472.17313	0.5
478.16046	0.4
480.17920	0.7
481.14801	15.4
482.15643	3.5
485.18164	0.9
494.17517	0.3
495.16916	2.5
495.21704	0.4
496.17261	11.3
497.18173	2.5
498.18506	0.9
499.19785	0.9
508.18549	0.4
509.18323	2.4
510.18906	0.4
511.20514	0.3
512.20288	1.6
513.21747	0.3
514.22498	2.2
520.96631	0.3
522.18207	0.4
523.19958	2.0
524.20544	0.6
526.18317	0.4
527.23511	3.2
537.18896	0.4
539.19049	0.5
540.19995	0.8
541.21301	0.4
542.21472	0.8
555.22461	29.5
556.22906	1.5
560.22180	0.3
568.19611	0.8
568.56287	0.3
583.21936	100.0
584.22174	5.1
587.25159	1.4
611.21582	1.8
614.23480	0.8
615.24500	11.4
615.34558	0.6
616.24786	0.6
643.23969	50.7
644.24304	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	643.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
54.11432	0.3
56.25404	0.3
59.98283	0.3
67.05513	0.5
69.03422	0.8
69.36076	1.9
79.05486	0.5
81.03412	0.9
81.07037	0.5
82.06559	0.3
85.02897	0.9
85.06557	0.3
87.00813	0.4
91.05476	0.8
93.07067	0.4
95.04964	0.4
95.08590	0.5
97.02880	0.9
103.05468	0.4
105.07021	0.4
107.04942	0.4
107.08632	0.4
108.08086	0.7
109.02876	1.0
109.10149	0.4
110.09615	0.3
116.04903	0.3
119.08553	0.5
121.06496	0.4
121.10134	0.4
123.04443	0.7
127.03936	0.5
128.07109	0.3
135.04440	0.5
136.07532	0.5
137.02324	0.3
147.04434	1.3
149.02335	0.9
150.09148	0.9
151.03896	0.4
151.07545	0.4
153.05415	0.5
159.04477	0.4
161.02365	0.4
163.03903	0.6
165.05449	0.5
165.06926	0.5
167.03403	0.8
167.07059	3.2
172.03931	1.1
173.06033	0.5
175.03923	0.8
176.04655	0.6
177.05450	0.6
179.03401	0.3
181.04979	1.1
181.06473	0.4
183.08093	0.3
187.03812	0.4
189.05417	0.4
190.05025	0.5
191.07007	4.4
193.04866	0.4
194.36369	0.3
195.08067	0.5
197.06036	0.7
198.06769	0.7
204.06557	1.5
208.05098	0.4
211.07487	0.4
214.06223	0.4
215.06883	0.6
217.05077	0.5
219.04514	0.3
221.06036	0.4
223.07625	1.0
224.08319	0.5
225.05435	0.8
226.06177	0.3
227.06938	0.3
229.08617	0.9
233.08122	0.3
236.04791	1.4
237.05466	1.0
239.03445	2.4
239.07076	0.8
240.07695	0.4
241.08493	0.7
242.05681	0.5
247.03949	0.7
249.05482	0.6
250.06267	0.8
251.06955	2.0
252.07817	1.2
253.05045	0.7
255.06564	0.5
255.10272	0.9
257.08093	1.8
263.04065	0.3
263.07080	0.9
264.04196	10.7
265.04938	3.6
267.06674	1.7
267.09302	0.4
268.07407	0.9
269.08133	0.6
271.06128	0.6
275.03433	0.8
277.05014	0.5
278.05637	0.4
279.06537	22.0
280.07248	3.6
281.04492	0.9
281.08109	0.8
283.06198	0.4
283.09744	1.8
287.05557	0.5
287.13953	0.5
292.11005	0.5
293.04434	8.0
293.07559	0.4
294.05197	0.7
295.06104	1.4
295.09677	4.5
296.06790	0.7
299.05496	0.4
303.13431	0.7
305.11639	0.3
306.05328	0.5
307.06021	14.2
308.06757	10.5
309.03995	1.7
309.07617	2.3
309.11731	0.7
311.09143	15.4
313.07162	0.5
319.13455	0.4
320.10428	2.8
321.07626	0.7
321.11197	0.8
323.05643	0.6
323.09579	0.4
324.06198	2.1
325.06979	1.0
325.11771	0.4
331.09555	0.9
335.09467	0.5
335.12784	11.0
337.10788	0.8
339.08643	16.5
340.09109	0.4
349.10690	5.3
353.10190	2.5
358.15280	0.5
363.08466	0.2
363.12250	7.1
364.13022	11.3
365.10040	1.8
367.15457	3.6
380.12555	1.6
387.14542	0.4
395.14911	100.0
396.15140	2.2
398.14896	0.5
399.15723	0.4
404.15939	0.4
415.15253	0.4
417.15350	1.2
432.15717	0.4
458.17062	0.8
463.35172	0.4
474.16565	1.4
490.19522	0.4
491.13336	0.6
593.23596	0.4
599.32977	0.3
611.25049	2.6
643.13873	1.1
643.31628	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
56.96558	0.3
67.05508	0.5
69.03411	0.8
69.07066	0.5
69.35386	1.8
69.35799	0.7
79.05467	0.6
81.03407	0.6
81.07066	0.4
82.06574	0.3
85.02884	0.8
87.00823	0.6
91.05503	0.5
93.07014	0.5
95.08578	0.6
97.02883	0.3
98.21448	0.5
105.03325	0.4
105.07020	0.5
107.08589	0.3
108.08107	0.4
109.10110	0.4
110.09629	0.4
117.07047	0.3
120.04491	0.4
121.06559	0.5
122.09682	0.3
123.04404	0.4
123.08009	0.3
124.05249	0.3
125.06030	0.3
127.03909	0.6
129.06992	0.4
131.04959	0.6
133.02818	0.3
135.04379	0.3
137.05922	0.6
144.04417	0.3
146.06039	0.4
147.04376	1.7
147.08080	0.3
148.05240	0.3
149.02382	0.6
150.09146	0.6
151.03891	0.3
151.07533	0.5
152.06270	0.3
153.05595	0.3
159.04390	0.4
161.02281	0.3
161.06010	0.4
162.03059	0.3
162.05414	0.3
166.08688	0.4
167.03368	0.5
167.07042	2.9
172.03935	1.1
173.06050	0.5
175.03911	0.8
176.04697	0.7
177.05421	0.7
178.06244	0.4
181.04956	1.4
181.06398	0.4
187.04074	0.3
190.04994	0.6
191.07022	4.0
193.04828	0.4
197.05907	0.6
198.06801	0.5
203.07069	0.4
204.06546	1.4
205.08609	0.3
208.05206	0.5
211.07489	0.5
212.08315	0.4
213.05571	0.4
214.06349	0.3
215.07060	0.6
219.04515	0.4
221.05992	0.5
223.07578	0.4
224.08450	0.6
225.05444	0.8
225.10304	0.4
226.06111	0.5
229.08591	1.3
235.07437	0.5
236.04610	0.9
237.05409	1.1
239.03381	2.5
239.07106	0.5
240.04314	0.4
240.07880	0.4
241.08649	0.6
241.13580	0.3
242.05682	0.5
247.03943	0.6
248.04611	0.4
249.05473	1.0
250.06221	0.6
251.06998	1.9
252.07845	1.4
253.04915	0.7
254.05675	0.4
255.06456	0.5
255.10271	0.7
257.08063	1.8
263.07016	1.1
264.04202	9.9
265.04968	3.1
267.06589	1.0
268.07254	0.6
270.05276	0.6
275.03452	0.7
278.05807	0.8
279.06534	20.7
280.07294	3.1
281.04459	1.6
281.07889	0.7
283.06628	0.5
283.09595	1.9
285.07559	0.5
285.12405	0.5
287.05566	0.6
292.03693	0.4
293.04462	7.7
293.07913	0.8
294.05334	0.4
295.06134	1.5
295.09689	4.0
296.06891	0.9
297.07550	0.5
299.05420	0.5
303.13318	0.5
306.05362	0.7
307.06018	13.4
308.06799	9.4
309.03970	2.1
309.07602	2.7
309.11996	0.4
311.09149	14.2
313.06937	0.4
315.08746	0.4
320.10254	1.7
321.07629	0.5
321.11331	0.4
323.05685	0.4
324.06329	1.3
325.07089	0.8
325.11230	0.3
331.09641	0.8
335.09723	0.4
335.12790	10.7
337.10809	0.5
339.08646	14.8
339.12766	0.7
349.10687	4.4
353.10226	1.4
363.12305	6.4
364.13031	11.1
365.10004	1.7
367.15451	3.5
380.12451	1.4
395.14914	100.0
396.15262	2.2
398.14731	0.4
400.16943	0.3
404.15561	0.4
416.16507	0.4
417.15503	0.9
458.17209	0.9
474.16617	1.4
491.13321	0.8
569.23743	0.4
593.23883	0.4
611.25006	2.2
643.13855	1.3
643.30255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	13.2
63.24606	1.3
69.07044	1.6
69.32338	1.6
70.98090	1.9
71.57656	2.0
71.58063	1.7
73.58297	1.7
76.22358	1.5
81.03432	1.5
81.07051	1.9
84.96025	2.1
86.17130	1.6
91.05492	4.8
98.97568	7.8
100.65744	1.5
105.07062	2.1
109.02785	1.8
116.98637	4.0
119.08577	2.1
130.74005	1.5
133.10188	2.5
137.06050	2.7
153.83374	1.4
167.03462	3.1
167.06949	1.9
179.06842	2.1
204.06537	1.5
240.04312	1.5
255.06935	1.8
267.06891	3.5
269.04544	2.3
271.06079	2.7
273.07904	2.4
283.06174	2.7
284.03394	1.7
285.07983	36.2
297.08075	6.2
298.04892	2.9
299.05634	6.1
299.09552	6.2
300.06461	2.3
301.07498	7.1
303.09058	26.9
313.07108	4.9
313.10669	1.9
314.04395	2.6
315.09088	14.7
317.10666	5.9
329.06653	5.6
332.04465	4.2
333.06360	1.9
337.11224	1.5
339.08789	1.8
343.08380	2.1
351.12659	25.9
353.10190	2.2
355.12155	3.6
369.13770	100.0
370.14828	1.6
383.07663	3.0
383.11893	3.2
387.14758	5.2
392.15134	3.4
395.12280	42.5
401.12726	6.9
411.14603	4.1
413.12766	49.3
436.14313	4.7
437.09250	2.0
455.07843	2.6
455.13864	33.0
467.13797	7.6
469.15112	2.9
479.13156	1.8
509.14908	10.9
557.16553	2.2
599.18756	7.7
611.24188	3.2
643.17902	34.2
643.30927	4.5
644.16681	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	641.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78431	0.3
55.05502	0.4
66.50674	0.4
67.05492	1.1
69.25336	1.1
69.25761	2.6
73.06309	0.4
74.03812	0.3
78.94517	0.4
79.05485	0.8
81.07056	1.3
82.17731	0.3
86.35683	0.4
89.31818	0.3
91.05460	1.1
93.07060	1.0
95.08597	0.5
95.21130	0.3
97.25977	0.3
98.21504	0.8
105.07027	0.8
107.08574	0.7
109.06554	0.4
109.10152	0.6
119.08556	0.8
119.19265	0.4
131.08589	0.6
135.08084	0.5
145.10120	0.4
163.03639	0.4
164.17009	0.4
174.38800	0.4
186.38055	0.3
230.45120	0.3
389.09845	0.4
391.11526	9.8
419.11047	100.0
420.11624	1.3
437.12009	0.4
460.13672	2.5
581.20911	0.6
634.71051	0.4
641.21869	0.5
641.31128	0.6
641.43488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2972
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.50105	0.2
65.47710	0.2
67.05495	0.6
69.07065	0.4
71.56093	0.4
73.24594	0.2
79.05489	0.4
81.07042	0.6
84.51539	0.2
91.05502	0.5
93.07061	0.4
93.81510	0.3
95.08591	0.4
100.67218	0.2
104.45370	0.2
105.07037	0.7
107.08597	0.4
109.10170	0.3
117.06992	0.3
119.08614	0.5
127.34453	0.2
131.08562	0.2
145.10143	0.4
211.12263	0.3
257.08182	0.4
275.09088	0.3
341.15106	0.2
377.17691	0.7
378.18546	0.6
379.19440	1.3
390.18646	0.5
391.15070	0.5
391.19464	1.2
392.20081	0.9
393.16995	0.3
393.20993	2.3
394.21524	0.3
395.22598	0.5
404.20169	0.4
405.16550	2.7
405.21072	0.7
406.17197	1.2
406.22433	0.4
407.18405	0.9
407.22806	4.1
408.23224	0.7
418.17584	0.6
419.18457	3.3
420.19223	2.7
421.20294	5.1
422.20831	0.3
423.21893	1.5
432.19122	0.3
433.20325	5.8
434.21326	3.7
435.22025	7.9
436.22998	1.5
446.20966	0.3
447.22794	1.7
448.18326	0.4
448.23264	0.5
449.19583	9.0
450.19928	0.6
461.18521	0.3
461.24115	0.7
462.20648	0.9
463.21167	3.2
464.21930	1.7
465.18555	0.4
465.23679	0.4
466.24570	0.4
467.24744	0.5
468.25531	0.3
475.21130	0.3
476.22473	0.4
477.23026	0.8
478.23761	0.3
479.19968	1.3
480.21295	0.4
481.22055	1.6
492.21881	0.4
493.21481	2.0
494.23102	3.7
495.23804	3.7
507.24216	2.0
508.24182	0.5
509.26089	0.3
521.25751	10.8
522.25861	0.7
523.27441	0.6
525.21484	0.3
526.25751	0.8
535.23761	1.0
539.22565	1.4
549.25055	0.6
550.27191	0.3
553.23920	1.2
563.26715	1.0
565.24652	0.3
567.26172	0.8
581.27686	19.1
582.28033	0.9
609.27081	0.6
641.29700	100.0
642.29956	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	641.2965
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05506	1.9
67.05508	3.4
69.07069	1.3
70.96759	1.9
79.05507	2.1
81.07058	2.4
91.05482	4.3
93.07048	1.8
95.04987	2.0
95.08607	1.4
105.07034	2.6
107.08591	2.2
109.06572	1.3
109.10158	1.4
119.08585	2.3
133.10147	1.1
135.11617	1.0
136.07648	0.8
147.11722	1.0
151.03915	1.3
164.65593	0.8
184.49403	0.8
197.10823	1.0
209.10651	1.1
210.11482	1.1
211.12419	1.3
223.12286	1.6
225.13933	1.6
227.11871	1.2
238.14674	1.5
239.15422	1.9
267.10284	1.0
287.15439	1.0
289.17944	1.1
310.66486	1.0
313.10727	1.8
313.15372	1.6
314.10886	1.8
318.16064	1.2
334.19220	1.2
347.87433	0.9
357.09583	1.1
358.09955	1.0
358.19092	1.2
360.20688	1.4
374.18710	1.0
375.19427	0.9
384.17142	1.7
389.17755	1.8
391.18732	1.4
392.19916	2.5
401.17651	1.2
402.18332	1.4
403.19241	2.8
404.20078	2.3
405.20886	1.5
406.21423	3.5
407.22275	5.1
412.16803	1.2
415.19238	2.5
416.19812	2.2
417.20703	4.0
418.21664	2.2
419.22330	2.2
420.23019	1.2
421.12271	3.9
421.23868	4.3
422.24411	5.6
427.19049	1.1
429.20932	3.5
430.21890	1.3
431.17526	1.2
431.22406	3.7
433.24063	5.7
434.24609	5.1
435.22144	1.1
444.19235	3.4
445.23935	3.0
446.24646	1.4
447.25867	1.4
449.22943	1.8
459.21942	3.1
460.22476	2.0
461.19492	1.4
462.20456	3.7
463.21280	3.0
472.22479	1.3
473.23697	4.3
474.23776	2.5
475.21530	4.8
476.09604	1.0
477.22879	13.9
478.23126	1.3
485.23251	1.4
487.25241	4.7
491.24384	3.7
503.24503	1.4
505.26086	2.7
506.26788	2.4
515.24219	1.5
517.22491	1.0
519.27386	1.6
535.23914	2.3
545.25299	7.9
546.25916	1.1
547.27112	13.7
549.25024	11.4
550.25824	15.2
563.26147	3.6
564.27209	1.9
565.28522	1.9
577.28021	1.1
579.29291	7.6
591.26154	13.8
605.27643	19.7
606.27136	1.0
609.27008	12.9
623.28674	100.0
624.28888	3.3
626.26794	1.7
641.29510	10.5
641.40295	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	641.2608
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
53.70764	1.3
56.70401	1.5
59.85546	1.4
65.03931	2.0
67.05501	1.5
79.05503	2.9
80.04991	1.9
81.07031	1.9
91.05493	3.8
93.07062	7.1
94.06588	11.6
94.07127	2.0
95.04980	1.6
95.07353	7.1
96.08132	13.4
97.06507	1.7
101.75417	1.6
108.08121	12.8
110.09696	22.4
115.04658	1.3
120.04450	1.9
120.08128	17.4
122.06050	12.2
124.07619	1.9
136.07574	10.2
138.09154	27.0
144.08087	1.4
144.74097	1.4
148.07567	4.3
166.08646	28.5
172.07547	2.9
189.25372	1.5
211.08740	2.7
221.10794	3.8
230.24899	2.8
231.25070	2.2
235.08847	3.9
236.09370	1.9
237.10248	3.0
247.08771	5.7
248.09627	2.7
249.10283	27.3
250.11130	2.1
251.11783	2.5
261.10184	1.8
263.11929	3.5
265.09808	3.1
275.08130	3.1
277.09738	16.3
278.10449	2.9
287.10223	1.8
289.09851	1.8
291.11319	1.7
293.09067	2.6
303.07797	1.6
307.11060	1.8
309.12460	8.1
310.13379	3.3
311.05261	2.2
312.11539	3.5
314.12991	2.6
321.08734	2.1
321.12524	2.3
322.13608	3.7
326.13107	6.7
327.13925	3.6
328.10992	2.1
329.11682	2.1
336.11658	1.7
336.15036	2.9
338.12985	2.6
338.16644	2.8
339.14023	4.3
340.10846	5.8
340.14529	8.0
340.18124	2.1
341.11627	2.9
341.15469	4.7
342.12527	4.3
342.16251	3.0
343.13190	1.7
349.12311	2.3
350.13104	3.1
351.13947	3.0
352.10770	2.9
352.14648	3.1
353.11560	3.3
354.12396	14.9
354.15985	2.4
355.13248	5.8
356.13940	8.2
364.14471	9.2
366.12357	4.0
366.16162	8.0
367.13528	6.0
368.10245	2.7
368.14050	24.1
368.59283	1.5
369.14737	10.2
370.15683	6.4
372.13669	2.5
380.14011	4.4
382.11270	10.3
382.16153	11.1
383.12747	4.5
383.16840	3.4
384.17233	16.5
385.14117	1.8
386.15002	3.3
392.14145	5.0
394.15793	3.2
395.12793	5.2
396.13446	15.6
397.14246	7.6
398.14432	2.0
398.18863	14.8
400.16910	2.5
401.17471	2.7
408.13617	2.6
410.14957	14.6
412.16678	13.2
413.13721	3.7
414.14725	4.2
415.15097	2.9
416.16202	2.0
420.13467	5.6
426.13788	7.3
428.15942	9.6
438.14572	42.7
442.17828	5.9
444.19946	15.9
456.15591	99.3
457.16202	3.2
458.17261	16.3
470.17264	6.2
476.18237	51.6
477.19037	1.7
488.18201	47.8
563.22870	2.3
581.24200	2.1
591.22308	14.2
595.25592	6.5
609.23438	28.7
613.26404	4.5
623.15479	3.1
623.25006	38.0
641.26074	100.0
642.26550	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	1.6
60.34517	0.5
60.47467	0.6
61.02901	1.7
62.99145	0.5
67.75327	0.5
69.03429	5.1
70.23592	1.6
72.85767	0.5
73.02885	1.0
79.05455	0.7
81.03383	2.1
82.42928	0.5
85.02429	0.6
85.02909	8.9
87.04423	1.5
89.03878	1.2
91.05452	2.3
95.01365	0.5
97.02898	3.6
99.04473	1.1
103.05450	2.3
105.06998	1.0
109.02848	1.5
115.05430	0.6
117.03358	3.3
118.04159	0.8
119.04945	3.1
121.06488	1.2
123.00788	2.1
124.05211	0.6
124.22797	0.5
127.03881	2.0
128.06207	0.7
130.04152	1.4
131.04926	5.5
132.05719	0.5
133.06476	0.9
133.94896	0.6
134.03622	2.4
135.04420	0.7
136.05069	0.6
137.05949	2.1
137.87772	0.5
139.93971	0.5
144.05638	0.9
145.02837	3.4
145.06528	0.5
146.03610	4.9
147.04410	5.1
148.05182	1.3
148.57538	0.5
149.05972	1.1
152.01054	2.7
153.01793	1.4
155.04927	5.9
155.06059	1.0
161.05978	5.8
162.06725	1.5
163.03819	0.6
163.07545	2.0
170.02231	0.5
171.04388	1.1
172.05237	0.6
173.05974	0.6
177.05440	1.6
180.07773	0.6
182.39169	0.5
183.04446	5.3
184.05133	1.2
185.06004	1.6
187.07552	2.0
200.04697	1.7
201.05463	0.7
211.03926	5.6
212.04683	1.9
213.05557	1.2
222.61829	0.5
225.05455	1.9
228.04248	2.6
229.04971	1.3
230.05838	0.7
239.03409	5.5
240.04144	2.3
241.04926	2.8
245.18156	0.5
255.02820	1.1
256.03683	10.4
256.07275	1.6
257.04642	2.9
267.02798	1.5
268.03662	1.4
269.04425	3.4
269.25247	0.5
270.05182	0.8
271.06018	95.0
272.06366	1.2
285.03903	1.7
285.07443	0.8
286.04807	3.9
287.05576	1.2
297.04279	1.0
297.07645	1.4
299.05515	52.1
300.06274	19.9
300.09738	0.6
301.07065	21.4
311.05679	0.7
324.11194	0.6
417.10156	0.6
435.10864	0.9
446.10025	0.7
449.12387	7.0
461.12396	30.0
479.13516	100.0
480.13657	2.5
521.14502	1.1
641.18628	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66393	5.2
53.88474	6.0
54.45102	5.5
54.45498	4.9
55.05501	23.7
57.03435	15.2
57.07076	57.4
67.05515	63.9
69.07057	28.4
70.70826	15.8
71.08641	33.0
79.00279	5.9
79.05504	45.8
81.03403	6.4
81.07060	79.3
83.04968	6.5
83.08607	26.8
85.10162	19.7
85.86237	5.4
89.06007	8.3
91.05483	42.7
93.07043	47.1
95.04957	7.1
95.08615	52.1
97.06520	8.0
104.79192	7.2
105.07031	29.6
107.08601	19.8
109.10162	24.3
110.53029	5.2
117.07021	17.7
119.08563	20.0
121.10166	13.9
125.37695	5.9
131.08551	24.8
133.10133	23.4
135.07954	5.4
135.11674	13.9
145.10083	11.5
147.11687	17.3
149.13235	9.0
159.11650	15.6
195.13948	6.0
196.90677	5.3
227.12604	8.1
239.17961	6.8
255.15967	11.1
257.18875	10.1
269.17480	15.5
275.20035	33.8
313.27396	95.6
342.42709	5.8
349.23749	22.8
369.25766	6.6
438.75815	6.0
493.38651	22.5
507.40417	100.0
547.43420	8.7
587.46222	13.7
593.78314	7.7
641.25031	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	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83703	5.5
55.05513	24.8
57.03429	28.4
57.07079	55.4
67.05505	52.2
67.45009	5.5
68.14464	6.4
69.07089	32.5
71.05037	8.5
71.08626	45.0
71.57883	7.3
77.00544	5.7
79.05502	37.6
81.07059	60.9
83.08641	17.5
85.10185	17.7
88.82930	6.1
91.05486	49.5
91.39549	6.2
93.07049	39.0
95.08614	68.2
97.10160	7.7
105.07032	65.7
107.08628	38.1
109.10166	21.4
111.19401	7.3
117.07048	30.2
119.08594	40.4
121.10142	22.2
129.07004	24.8
131.08563	31.6
133.10162	31.5
135.11719	7.8
143.08572	18.9
145.10110	33.8
147.11668	19.3
150.71581	5.6
157.10153	18.4
159.11714	34.5
161.13223	11.3
169.10226	12.3
173.13277	11.3
183.11768	6.9
184.32306	6.6
185.13277	28.8
203.14377	14.6
205.15802	8.2
219.17456	12.0
227.12785	8.2
229.19576	6.0
239.18036	15.2
251.25928	6.8
257.19034	39.8
275.20105	58.7
295.75848	7.8
299.24741	6.4
313.27365	100.0
349.23795	38.8
394.12585	6.7
587.46722	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13894	0.3
55.05514	2.5
57.07088	1.4
58.06604	6.2
67.05508	0.7
69.03450	0.3
69.07063	1.1
70.06598	0.5
72.08162	12.2
73.06561	1.9
79.05485	0.6
81.07063	1.0
83.04980	2.0
83.08664	0.3
84.08159	0.8
85.08907	0.4
86.09711	20.9
88.03976	0.3
91.05460	1.5
93.07056	0.7
95.08574	0.6
98.06081	0.7
100.11263	100.0
101.06021	3.0
101.11633	0.3
105.07034	0.9
107.08591	0.4
109.10155	0.6
111.74503	0.3
117.06989	0.4
119.08612	0.6
121.10159	0.6
123.11727	0.7
126.12836	0.3
127.08701	0.3
128.10693	0.6
131.08588	0.4
133.10124	0.6
135.11725	0.3
140.14360	3.4
143.08093	0.3
144.10249	0.4
145.10118	0.4
146.11765	2.5
148.33704	0.3
149.05954	0.4
151.03894	0.4
154.12289	1.7
161.13268	0.3
172.13310	2.3
173.13289	0.4
182.11917	0.3
200.16493	1.0
203.07034	0.6
210.14946	0.3
211.14484	0.4
214.14392	0.9
220.60124	0.3
222.22195	0.3
228.15967	7.1
229.37697	0.4
252.70822	0.3
267.10175	0.6
284.34641	0.3
285.21741	7.0
285.24777	0.4
287.23657	0.3
299.23322	8.8
305.46600	0.3
313.21237	0.8
313.27441	0.4
327.22800	15.1
339.26242	0.3
340.16006	0.5
367.25818	0.4
395.25446	0.9
412.31784	0.9
419.11224	0.7
440.31332	3.2
458.32309	5.7
466.32785	0.3
484.33765	0.9
512.33234	0.6
526.35181	0.6
540.36676	0.4
611.43817	31.6
612.44275	0.9
639.29053	3.3
639.43195	8.0
644.77197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	0.8
55.73776	0.4
67.05440	1.7
69.07024	0.9
71.56022	0.6
72.09129	0.5
79.05424	2.2
81.06987	1.9
91.05414	2.1
93.06982	1.7
93.55374	0.5
95.04877	0.6
95.08636	2.4
105.07041	3.0
107.08513	1.9
109.10116	1.0
115.35035	0.5
119.08600	3.1
121.10078	1.1
133.10106	0.9
147.11635	1.5
159.11592	0.6
163.03629	0.5
174.24969	0.5
185.02115	3.2
200.04391	1.5
239.06946	0.6
251.06702	0.8
257.08014	1.7
293.52466	0.5
309.07410	1.4
387.08572	1.9
391.11520	13.3
401.10001	1.1
402.10840	3.9
403.07166	0.7
403.11575	2.2
418.10333	5.2
419.11047	78.5
420.11475	1.7
460.13718	1.8
537.25214	0.9
552.27240	0.9
579.25830	1.0
597.26471	0.8
607.25470	0.7
611.29846	6.6
621.28253	2.3
639.29285	100.0
640.29865	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	639.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.1
55.01870	6.0
55.05514	16.7
57.03451	11.0
65.03934	4.0
67.05514	26.8
69.03434	16.0
69.07069	7.9
70.88026	1.7
71.04986	7.2
71.27328	2.4
79.05505	27.0
80.07992	1.8
81.03426	100.0
81.07064	33.0
83.04992	16.6
83.08629	26.1
85.02914	20.1
85.06543	2.3
86.74283	1.9
91.05494	30.3
93.07047	16.9
95.04980	31.6
95.08614	12.3
97.02885	15.0
97.06535	5.0
97.10176	6.1
98.97565	2.3
99.04446	4.1
99.08128	1.8
103.05502	2.3
105.07038	21.2
107.04992	8.9
107.08624	8.9
109.02896	21.8
109.06524	5.4
109.10166	5.8
111.04440	12.4
111.08099	13.2
113.06020	2.8
115.05540	2.8
117.07010	3.5
119.08591	22.7
121.06516	4.6
121.10148	11.1
123.04444	2.9
123.08083	3.0
123.11695	3.1
125.09644	5.9
127.03898	10.2
127.71201	1.5
128.06230	2.4
129.05495	2.5
129.07034	12.0
131.04938	2.5
131.08585	13.5
133.06519	5.0
133.10167	12.1
135.08092	3.3
135.11679	3.3
137.05998	3.8
137.09616	2.4
145.10130	4.5
147.08072	5.4
147.11685	19.3
149.09671	7.7
151.07603	1.7
153.12740	3.5
155.43996	1.5
157.10146	15.5
163.03954	1.8
163.11220	5.6
165.12787	5.5
171.08054	1.6
171.11671	1.7
173.04469	2.6
175.11188	12.3
177.05487	3.0
177.09064	2.0
181.12212	2.8
182.98892	1.7
189.65642	1.6
191.10718	3.0
193.12267	40.8
211.13313	59.9
227.12766	6.7
229.14311	1.9
239.03519	3.0
255.06558	9.1
261.14938	1.7
267.15964	21.7
269.04465	11.8
269.08154	10.8
270.08423	4.7
271.05981	2.1
271.08731	3.9
273.14990	2.0
283.06039	5.6
283.15564	3.2
285.07434	3.1
285.16965	13.6
297.04010	6.9
299.05453	3.6
301.14447	3.1
319.15237	2.1
337.16449	3.4
351.12076	2.3
355.17542	5.0
370.93268	1.7
385.23734	4.6
393.18698	3.8
411.19937	4.5
429.21204	2.8
433.12997	3.4
459.10944	5.0
459.27417	10.2
477.11783	18.1
477.28616	9.9
495.29703	16.9
510.29169	1.7
574.31104	1.9
585.30786	1.9
603.31097	1.8
621.32574	11.6
639.16516	7.4
639.33899	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	639.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85418	1.2
54.52262	1.3
57.91542	1.5
67.75038	1.4
69.03418	1.6
91.05489	1.8
93.07062	1.4
111.44261	1.3
118.67088	1.3
159.60953	1.4
160.67993	1.3
243.24916	1.4
294.86859	1.3
389.17880	1.6
391.19232	1.9
400.20163	2.2
403.19580	3.7
404.20050	2.8
405.20862	13.4
417.21194	2.8
418.21783	3.4
419.22363	9.7
420.23123	3.3
433.24210	7.2
434.24600	4.2
435.08615	3.2
447.21878	7.4
449.19669	8.0
450.20618	3.7
463.21304	7.5
464.22269	4.9
465.22885	12.6
475.20908	2.1
477.23035	5.4
478.23685	4.4
479.24484	33.3
479.31003	2.5
480.25375	2.1
487.21030	2.4
488.21716	1.7
491.20178	1.6
492.25223	4.0
493.26010	24.0
501.22906	3.0
502.23151	1.8
503.24435	2.5
505.22144	2.6
519.24097	3.6
523.23328	11.2
537.24884	37.9
547.23816	8.0
549.21375	1.7
551.26538	24.0
552.27325	96.0
579.26093	11.5
588.62573	2.1
607.25385	12.9
639.28186	100.0
640.28333	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	639.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03359	0.9
56.46394	0.9
67.05515	1.1
67.99792	1.0
71.55720	0.9
71.56522	1.0
71.70830	0.9
73.04726	0.9
79.05530	0.9
81.07067	1.0
84.23134	0.8
91.05467	1.0
93.07046	1.8
95.08598	1.4
105.05968	1.1
105.07101	1.0
107.08627	1.1
119.08570	1.4
160.83133	0.9
167.05807	0.8
231.91385	1.0
318.01382	1.1
377.17853	1.3
390.18286	1.2
391.19275	4.7
393.22256	1.2
405.20801	10.2
406.21625	3.3
419.22543	2.8
420.23221	4.9
421.24017	3.7
431.90765	1.0
433.20316	4.2
435.08862	1.5
436.19000	2.2
447.21628	1.4
449.19958	3.2
450.20505	2.1
451.21429	1.4
452.22208	2.6
459.18219	1.2
464.22226	1.6
465.22891	37.2
473.19907	1.1
475.25684	2.2
477.26801	1.8
478.24039	1.5
479.24387	6.1
480.25143	3.6
487.21466	1.7
488.22205	2.6
492.21603	3.4
493.26163	4.6
503.24457	25.8
505.22504	1.0
521.25580	15.3
537.25012	5.8
547.23505	2.5
565.24487	47.1
566.24518	1.1
579.26178	1.5
580.26740	17.5
607.25598	14.9
639.28223	100.0
640.28625	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	639.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38514	1.1
59.04987	1.2
64.75301	1.0
67.05486	2.4
71.11564	1.9
73.10320	1.1
74.09689	1.3
79.05486	2.1
81.07039	2.2
91.05499	2.0
93.07034	2.8
95.08634	2.2
107.08606	1.3
109.06507	1.1
113.29503	1.1
119.08546	1.8
133.10126	1.4
136.66405	1.3
145.10071	2.4
190.98907	1.4
210.84911	1.4
332.60254	1.4
350.16895	1.2
351.17358	1.6
375.16342	4.8
376.16843	5.0
377.17810	7.3
388.17593	2.7
389.17993	6.7
390.18610	7.5
391.19153	23.7
392.20007	4.6
393.21738	2.5
401.17502	1.5
402.18823	1.9
403.19482	6.5
404.20343	7.8
405.15942	2.1
405.20828	31.8
406.21674	14.2
407.22318	2.0
416.20300	1.9
417.20822	3.6
418.21701	3.1
419.22742	11.2
420.23254	19.2
421.23853	14.6
424.22470	2.6
431.22760	1.8
433.19318	2.7
433.24020	5.0
434.25464	7.2
436.19339	1.6
438.20468	3.6
445.20203	5.4
447.21707	4.5
448.22736	14.6
449.23630	20.3
451.21252	1.5
452.16495	1.2
452.22095	22.5
459.21768	10.1
460.22791	13.9
461.19501	4.6
461.24261	1.7
462.20383	19.9
463.21817	6.3
465.23071	10.1
475.20938	16.3
476.22156	12.0
477.22894	40.1
479.24207	1.6
487.21252	2.4
488.21921	1.7
489.22604	3.6
492.25723	14.2
493.21793	2.5
501.22882	2.4
503.24692	9.9
507.27350	5.2
508.28265	1.8
518.22943	3.4
519.23779	1.7
521.21570	17.0
523.22955	2.7
535.25891	9.7
536.24274	63.4
537.25061	8.4
547.23730	1.8
551.25970	2.9
552.27356	16.8
561.25055	6.4
562.25531	3.9
563.26306	4.5
565.23975	2.2
579.25677	6.2
593.27258	2.3
595.28906	1.8
607.26068	2.7
621.27625	6.7
622.27850	100.0
623.28406	2.2
639.29712	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	639.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36584	1.7
61.80265	1.7
91.32476	1.7
94.20392	2.2
98.20707	4.1
136.97830	1.7
195.09236	2.4
209.10606	2.5
211.08585	2.4
211.12512	2.4
221.10768	2.1
223.08551	2.0
223.12357	4.1
224.13019	2.7
225.10158	1.9
225.13902	3.9
227.11644	1.9
237.10233	2.5
237.13914	3.3
239.15286	2.5
249.13846	2.8
251.08060	1.9
251.11798	2.2
252.12724	3.0
253.13364	3.4
265.09763	2.8
266.13892	2.9
267.14804	5.1
289.47516	1.9
298.13336	2.1
325.11667	2.1
366.12347	1.9
369.14511	2.0
388.12961	2.3
402.18188	2.3
417.21017	3.4
429.16931	4.3
431.18695	6.5
432.22833	3.9
433.23996	7.0
434.16913	3.3
444.19403	8.4
445.19998	5.7
449.19791	2.7
450.20053	2.3
459.21811	43.6
460.22818	9.2
461.23318	6.0
463.21780	3.1
473.23737	4.2
475.21686	3.3
476.22006	2.0
492.21124	2.3
509.21481	2.6
519.23810	6.4
520.20801	3.9
524.23212	2.0
538.21552	4.1
546.26746	2.7
547.27051	28.1
551.26288	6.5
552.23145	3.4
561.25085	2.5
563.26776	2.2
564.23535	4.2
565.24469	2.9
577.21167	2.1
579.25623	12.7
591.25891	4.1
593.23920	3.8
596.26270	7.4
606.28339	100.0
607.25604	29.8
610.26996	3.1
611.28583	16.7
621.26935	7.8
622.28314	9.1
624.25653	5.1
639.27985	91.3
640.28345	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	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
58.24383	0.7
74.57886	0.6
76.15764	0.8
78.92999	0.7
81.07072	1.7
88.75018	0.6
91.05521	1.4
91.34283	0.7
93.07049	1.6
95.08609	1.7
98.21542	1.2
100.97881	0.7
103.46743	0.6
105.07044	1.8
107.08583	0.8
111.37408	0.7
114.74833	0.7
121.25901	0.7
131.08604	0.9
133.10126	0.9
135.11691	0.8
221.10898	0.9
229.37860	0.8
235.12532	0.8
325.15735	0.8
328.17865	0.7
377.17514	2.5
378.18735	1.1
389.17752	1.6
390.18542	2.1
391.19208	5.8
392.20038	3.1
393.21011	1.4
403.19455	1.6
404.20020	2.2
405.20883	9.5
406.21570	4.9
406.37363	0.6
407.22354	13.8
417.21210	1.7
418.21884	1.3
419.22440	4.9
420.22995	4.7
421.18103	0.6
421.23868	16.4
422.18036	1.1
422.24677	2.8
431.18265	1.1
433.24332	5.1
434.24631	1.6
435.18277	2.2
435.25488	1.3
436.19116	2.4
445.19937	1.2
447.21048	1.2
447.26297	1.4
448.26727	0.9
449.19760	1.2
450.20715	2.0
451.21313	13.2
452.22064	2.9
461.23431	1.4
463.21866	1.5
464.21893	1.1
465.22906	20.5
466.23569	1.6
473.19852	1.3
475.20450	1.6
475.25861	0.8
477.23026	2.2
478.23959	1.6
479.24496	1.6
487.21255	2.3
488.22012	2.4
491.20822	2.2
492.21176	1.3
493.25989	2.5
501.22717	1.9
502.23721	1.1
503.24417	12.8
504.24841	1.7
507.27567	10.5
508.28378	3.1
517.41156	0.8
519.23639	1.5
523.23383	4.6
533.25763	1.9
535.27051	17.2
536.27612	1.2
537.25085	10.3
551.26672	6.3
552.27429	22.1
553.27734	0.9
561.25018	5.4
562.25043	1.7
563.26514	0.7
579.26129	10.6
580.26477	4.7
593.27747	1.6
595.29199	8.6
621.27191	20.4
622.26471	0.7
639.28143	100.0
640.28497	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	639.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13619	1.6
51.27806	1.6
52.82729	1.5
56.49525	1.5
58.57425	1.6
71.06617	2.3
71.06939	2.0
120.08141	3.2
121.69413	1.6
122.59347	2.0
136.31587	1.8
148.07686	1.8
173.70171	1.9
183.09338	1.9
196.10011	2.0
197.10736	3.9
209.10704	3.3
210.11440	2.2
211.12335	2.5
222.13005	3.4
223.12387	4.1
224.13202	4.1
225.13860	2.8
235.12402	2.2
237.13884	3.7
238.14694	4.0
239.08250	2.2
239.11819	2.6
239.15482	4.4
249.10387	1.9
251.08209	2.6
252.12688	2.0
253.13321	3.4
265.13348	1.9
266.14038	2.1
267.14764	3.1
312.15070	2.7
314.13168	2.2
325.12054	3.0
403.19302	2.0
417.20966	4.2
431.18350	5.0
431.23285	2.9
432.22968	2.4
433.16660	2.4
433.23868	3.9
434.17416	2.6
435.17996	2.9
436.18188	2.8
444.19498	5.8
445.20300	5.3
446.17633	1.8
447.18231	3.2
449.19427	3.0
459.21826	44.0
460.22629	6.1
461.16956	2.6
461.23337	7.9
464.22488	2.4
473.23782	3.4
475.21732	3.2
477.18915	2.7
487.21094	2.6
519.23785	6.5
523.23749	4.9
531.23828	2.6
532.20789	2.5
547.27142	23.2
551.26471	7.1
553.24097	2.5
561.25171	2.9
563.26038	2.8
564.23438	4.1
565.24390	2.6
574.25391	3.0
575.22607	2.4
579.25977	13.3
580.25818	2.7
589.25024	3.2
593.24091	3.2
596.26318	6.7
606.28394	100.0
607.25623	26.6
610.27167	2.5
611.28778	16.3
621.27057	5.9
622.27649	7.1
624.25507	6.1
639.28082	97.5
640.28253	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	639.2804
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
52.50500	0.4
55.05507	0.5
60.04556	0.3
67.05526	0.4
69.07071	0.5
69.89491	1.9
70.58626	0.3
79.05476	0.6
79.06763	0.4
81.07056	0.9
91.05478	1.0
93.07044	0.9
95.08608	0.6
98.20764	0.5
105.07015	0.6
109.06544	0.4
133.10155	0.5
145.10173	0.4
185.80241	0.4
189.45027	0.4
204.06494	0.4
213.10448	0.4
223.15167	0.4
225.10199	0.5
251.06905	0.3
251.11900	0.4
321.19516	0.4
327.13431	0.6
328.14618	0.6
354.12241	0.4
363.15726	0.4
391.15344	0.5
393.21210	0.6
405.17065	1.1
406.17746	1.0
407.18594	1.9
417.17816	0.6
418.17883	0.5
419.10718	3.7
419.19272	0.8
420.15543	0.6
421.20596	4.4
422.21237	1.1
423.21387	0.5
432.19644	0.5
433.20682	1.2
434.17450	1.7
435.17130	2.0
435.22849	0.9
436.22925	1.8
446.21594	0.5
447.17743	0.6
447.22742	0.7
448.18933	2.6
449.19675	8.4
450.20673	2.4
459.18579	0.5
461.19733	1.5
462.20801	0.6
463.21597	4.7
464.22275	5.9
465.22839	0.9
474.20523	1.0
475.21588	1.8
476.18799	0.7
477.19031	5.9
478.19720	1.8
479.22101	0.4
491.20392	0.7
492.21036	0.7
493.22354	0.7
505.22348	0.6
507.23947	1.5
521.22113	1.3
523.22772	2.0
533.22064	1.3
535.23572	3.0
536.24066	1.5
537.21979	1.2
550.26117	0.8
551.26599	2.6
561.25110	3.3
563.23358	0.7
564.23853	3.7
565.24615	2.1
579.26190	6.3
581.24109	0.5
592.23224	0.6
595.25305	2.1
596.26727	0.9
607.25342	0.8
610.28143	0.8
611.29065	0.7
621.27399	4.9
622.26721	0.5
622.58673	0.5
624.25934	4.5
639.28253	100.0
640.28619	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	639.2792
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
60.02748	0.6
67.05153	0.5
67.05482	1.2
71.58101	0.9
81.07050	2.1
83.05040	0.5
85.12387	0.6
91.05490	2.6
93.07053	1.4
95.04978	0.5
95.08619	1.2
97.06607	0.5
101.36801	0.5
105.07031	0.8
107.08604	1.0
109.10157	0.9
119.08593	0.9
129.64304	0.5
147.11778	0.5
174.47354	0.6
179.47746	0.5
181.94374	0.5
184.43718	0.5
190.59604	0.5
203.06917	0.5
205.18988	0.5
229.08652	0.7
257.08148	0.7
311.98578	0.6
313.10748	1.8
357.09540	0.6
376.16873	0.6
377.17676	0.8
379.19229	1.0
387.09094	0.7
391.11526	3.0
391.19379	1.2
392.20206	1.0
393.20853	0.6
403.11325	0.7
405.16409	0.8
405.20935	1.9
407.22784	3.2
418.17874	0.9
419.11084	8.0
419.18756	2.4
420.19354	1.0
421.20328	2.8
433.20212	9.0
433.25275	0.6
434.20984	3.4
435.22256	4.3
445.20340	0.7
447.22070	1.2
449.19748	6.1
450.20544	0.9
461.19574	1.0
463.21683	2.7
464.22202	1.7
465.23138	2.7
473.23404	1.7
475.21204	1.0
491.20724	0.9
492.21878	2.1
493.22495	2.3
503.24423	1.2
505.22409	2.4
507.23999	2.0
519.24365	0.9
521.25732	6.0
523.27301	1.0
531.24274	0.9
537.20978	1.0
547.23468	0.7
548.24841	0.6
551.26312	1.5
561.25189	1.1
564.24042	0.7
565.24445	2.5
566.26678	0.7
575.22937	2.0
579.26056	13.9
580.26550	2.0
581.27704	0.9
597.27075	1.0
607.25513	11.1
612.03778	0.7
621.27039	2.8
639.28485	100.0
640.28711	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	639.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
55.01860	1.4
55.05495	1.1
57.03422	1.4
61.02908	1.7
67.05488	1.9
68.99754	0.7
69.03436	8.8
71.04959	1.1
71.31042	1.3
73.02892	2.0
79.05484	2.0
81.03428	7.7
81.07035	2.7
83.04958	0.8
83.08588	0.9
85.02912	11.6
87.04450	1.8
89.03919	6.9
91.03947	0.6
91.05480	4.5
93.07045	1.5
93.54300	0.5
95.04952	1.5
95.08590	1.5
97.02902	4.4
99.04445	1.9
102.04706	0.7
103.05451	2.7
105.06997	2.7
107.08562	1.1
109.02858	2.8
109.06487	0.9
109.10104	0.9
115.05440	0.7
117.03387	17.9
118.04187	1.0
119.04942	4.3
119.08589	0.8
121.02874	0.6
121.06499	1.7
121.10137	0.7
123.04382	0.9
124.05156	1.0
127.03908	2.4
128.06270	1.3
129.07001	1.5
130.04124	1.0
131.04903	4.7
131.08578	1.4
134.03651	2.4
135.04384	1.8
135.11716	0.9
137.05977	3.6
141.07031	0.6
145.02858	37.0
145.10075	1.0
146.03630	4.6
147.04433	9.1
147.11766	0.7
148.05260	0.7
149.02335	2.0
149.05988	5.0
149.09633	0.8
151.07460	1.2
153.01848	5.6
153.05446	1.0
155.04906	8.7
155.06029	1.0
157.06485	1.3
161.05997	5.7
161.09569	0.7
162.06772	1.7
163.03912	1.3
163.07510	2.3
165.09145	0.7
165.12714	0.9
168.05719	0.6
171.04413	2.5
173.05949	0.7
175.03885	1.8
177.05484	72.5
180.07863	0.7
183.04434	10.8
184.05208	2.0
185.06029	4.1
186.05423	1.0
195.04495	0.8
196.05086	0.9
197.06036	0.9
205.12341	0.7
211.03928	5.2
212.04709	3.5
213.05522	2.9
223.03902	1.5
224.04730	0.9
225.05634	0.9
229.05031	2.6
230.05768	1.4
239.03412	16.1
240.03963	3.2
241.04976	11.8
243.06372	0.9
245.08130	1.8
251.03503	0.7
254.05762	2.2
258.05276	1.2
267.02850	2.2
268.03766	3.7
269.04468	100.0
270.04932	1.7
271.06100	0.9
282.05356	0.9
283.06006	1.4
285.03665	0.9
286.04718	9.7
297.03961	47.2
298.04749	15.9
299.05508	22.5
301.07077	61.4
302.07413	0.8
309.03848	1.2
316.05804	1.6
321.09695	5.0
331.08188	6.7
339.10800	2.1
413.74857	0.7
427.08109	2.0
447.10739	5.2
459.10791	29.9
460.11285	0.9
477.11850	95.4
478.12122	1.7
639.17078	22.4
639.33063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.2
56.63369	0.2
65.03925	0.4
67.01850	0.6
67.05484	0.2
68.99802	0.7
69.03416	0.4
69.07052	0.2
77.03893	0.2
80.81166	0.2
81.03419	1.1
81.07054	0.5
85.02886	0.7
89.03869	0.3
89.05843	0.2
91.05483	4.5
93.07027	0.4
95.04942	0.3
95.08583	0.3
97.02859	0.3
99.04460	0.3
100.83829	0.2
105.07026	0.3
107.08585	0.4
109.02874	0.6
109.10091	0.3
117.03370	0.7
119.04945	7.5
119.08573	0.2
121.02869	1.5
121.06492	0.2
121.10138	0.2
127.03926	0.3
129.01816	0.3
132.02092	0.4
134.03645	0.2
136.05238	0.2
145.02849	2.6
147.04408	5.1
151.07591	0.2
152.01062	0.5
153.01823	7.7
157.04008	0.5
163.03888	0.6
164.04633	0.2
170.02171	0.2
171.02866	1.1
175.03909	9.0
177.05470	2.2
179.07062	0.4
185.05946	0.3
192.04199	0.2
197.06039	0.2
202.06210	0.3
203.07043	0.6
207.06528	23.0
208.06805	0.2
213.05563	0.3
220.98016	0.2
225.05463	1.0
225.07294	0.2
229.04991	0.8
230.05663	0.3
241.04932	0.7
243.06580	0.3
245.08130	0.2
269.04477	0.9
271.06009	100.0
272.06412	1.3
283.05887	0.2
285.03967	0.2
285.07419	0.2
286.04742	1.7
301.07062	11.0
313.07217	0.3
321.09564	0.2
351.10666	2.1
355.07993	0.2
369.11835	1.3
461.96436	0.2
477.14484	0.5
639.15436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3138
Annotation	Dihydro Isorescinnamine
Peak:m/z	Relative Intensity
53.99046	0.4
62.92628	0.4
79.58306	0.5
81.07080	0.9
91.05503	0.9
93.07053	0.8
95.08624	0.8
105.07070	0.5
107.08617	0.5
119.08508	0.4
131.08540	0.8
144.20448	0.6
145.10123	0.7
145.13930	0.5
159.11674	0.7
160.34401	0.6
161.94067	0.4
251.06859	1.8
259.09967	0.5
387.08151	0.7
391.11441	0.6
402.10910	1.2
419.10999	0.9
433.12640	56.9
434.13083	0.8
461.64432	0.5
467.14661	0.9
637.31403	100.0
638.31854	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	637.3137
Annotation	Dihydro Isorescinnamine
Peak:m/z	Relative Intensity
55.05505	1.4
60.51144	0.6
61.59491	0.6
67.05508	2.3
67.25462	0.6
69.03446	0.5
69.07076	1.8
71.58693	0.7
74.53350	0.5
79.05485	0.9
81.07050	2.3
91.05500	1.7
93.07063	1.7
95.04975	0.6
95.08620	1.7
98.21168	0.5
103.63155	0.6
105.07053	2.4
107.08593	2.1
109.06525	1.1
109.10174	1.2
117.07107	0.6
119.08599	1.6
121.06496	0.6
121.10126	0.9
131.08600	1.2
133.10191	1.0
135.11714	0.7
140.10127	0.6
143.08646	0.8
145.10112	0.8
147.11757	0.9
157.10143	0.7
159.08115	0.6
159.11691	0.8
173.13312	0.9
203.07080	2.2
210.11363	0.7
223.12286	0.9
224.09482	0.9
251.06937	1.9
253.13454	1.1
259.75354	0.6
332.79822	0.6
337.03067	0.6
346.97354	0.6
351.09930	1.5
375.37610	0.6
401.09967	2.0
403.07678	1.3
410.51300	0.6
419.11038	1.3
433.12613	21.8
433.18707	1.2
434.13110	0.8
435.13599	0.6
497.79214	0.6
501.26196	1.9
573.26550	1.5
575.27899	1.2
577.24286	2.7
605.24603	3.2
605.28510	4.0
607.26373	1.1
637.31378	100.0
638.31232	2.8
658.80127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91090	1.0
77.83821	0.9
81.07072	1.6
87.75379	0.9
91.05481	1.6
93.07014	1.3
95.08611	1.1
102.46303	0.8
115.67406	0.9
390.18799	1.4
403.19730	1.1
405.20941	1.2
418.18265	1.8
418.82312	1.0
419.18475	1.3
430.18082	1.4
431.19040	1.6
433.12555	3.2
433.20297	3.4
444.19281	1.1
445.20148	1.8
447.22095	2.3
448.22678	2.0
459.21817	4.8
460.22882	3.2
475.21259	2.1
476.22171	2.5
521.25616	2.5
533.22595	0.9
534.26514	1.5
535.26697	1.1
545.25513	3.6
546.26538	2.2
547.26105	3.0
549.25006	1.0
561.24799	2.0
562.26117	1.7
563.26508	8.2
577.27936	4.7
594.28333	1.4
605.27563	4.0
606.28778	2.3
621.27264	1.4
622.27734	2.8
637.30304	100.0
638.30585	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	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82072	0.5
62.66936	0.5
64.05279	0.7
71.18634	1.0
81.07069	1.2
93.07041	0.6
106.50985	0.6
131.08527	0.6
133.10170	0.9
208.09911	0.7
209.10736	1.0
216.33958	0.7
221.10806	0.6
223.12340	2.2
224.13152	1.8
225.10352	0.7
225.13841	1.1
237.10246	0.9
237.13860	1.7
239.15572	0.7
249.10292	1.1
251.08241	1.4
258.62650	0.6
261.14343	0.7
265.13388	1.2
267.96490	0.7
311.13840	0.8
333.60724	0.6
405.20901	0.8
417.16953	1.0
418.18094	0.9
419.18829	1.8
420.23590	0.8
421.24081	0.7
430.17957	0.7
431.18497	1.3
432.19443	1.2
433.12259	1.0
433.20395	2.7
443.22440	1.0
445.20828	0.8
446.21771	0.8
447.22769	3.0
448.22818	1.7
459.22168	4.0
461.19247	3.1
475.21008	5.1
476.22156	11.1
477.22980	1.1
478.24182	0.7
485.23465	1.4
489.23309	1.1
493.22366	1.2
503.24597	1.4
505.22467	1.0
519.23755	1.2
521.22662	0.9
533.22522	1.0
534.26117	0.8
535.26477	2.3
545.25513	5.8
547.23828	2.5
549.25153	1.5
562.25812	8.7
563.26447	4.0
573.25079	1.4
577.28699	4.3
579.26227	0.9
593.25281	0.7
605.27576	5.4
622.27875	2.2
637.30273	100.0
638.30756	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	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80424	0.6
54.00823	0.5
63.51231	0.5
71.49886	0.8
79.05463	0.6
86.92127	0.5
91.05454	0.7
95.08564	0.5
98.53457	0.5
103.81621	0.5
104.32770	0.5
105.06951	0.6
107.08536	0.8
118.06511	0.5
122.75936	0.6
194.67015	0.5
201.41856	0.4
206.02051	0.5
233.33391	0.5
264.26587	0.5
270.45398	0.4
283.13693	0.5
374.16522	0.6
377.17520	0.8
379.64697	0.5
385.15067	0.6
387.16544	0.6
388.17822	0.9
389.18201	0.8
391.19461	2.2
392.19977	1.5
394.86197	0.5
399.16293	1.7
400.16855	1.4
401.17856	1.2
403.19272	1.0
404.20547	1.3
405.20789	5.4
406.21484	5.0
412.17776	0.6
413.17664	2.5
414.18527	3.3
415.19415	3.9
417.20758	1.3
419.22253	2.1
420.23035	3.3
421.23944	9.7
426.18939	0.6
427.19318	2.1
428.20288	2.4
429.20816	11.6
430.21689	2.8
431.22797	0.9
433.12518	1.6
433.19583	1.6
433.24051	2.2
434.24646	1.4
442.21466	1.8
443.22559	7.1
444.23703	3.6
445.19693	3.7
446.21075	1.2
447.17398	0.9
448.22214	0.9
452.22021	0.7
455.18765	0.7
456.19388	1.7
457.23758	3.6
458.25018	6.5
459.21729	8.3
460.22809	5.0
461.19376	6.8
470.21072	1.7
471.21994	0.9
472.22745	6.8
473.19547	1.9
473.24094	1.4
474.20413	0.8
475.20670	2.5
476.21802	7.2
485.01279	0.6
485.23459	13.6
486.20209	2.4
486.24362	2.6
487.20621	2.4
488.22089	3.6
489.22833	0.8
491.24353	1.0
492.25278	0.6
498.20276	0.6
499.21301	1.1
500.21585	2.4
502.23779	0.9
503.24423	19.0
504.21457	0.8
505.22437	1.4
513.22833	4.2
514.23578	1.7
517.26147	7.4
519.23785	0.6
529.25946	1.5
535.27100	24.1
536.27350	0.9
545.25513	82.0
546.25842	2.0
549.25177	0.9
563.26630	3.9
573.24982	18.4
578.28119	2.6
605.27625	75.8
606.27686	2.2
637.30267	100.0
638.30609	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	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64095	0.4
58.70011	0.5
58.75681	0.5
70.67959	1.3
80.76196	0.4
163.93115	0.4
197.10764	0.4
277.32391	0.5
374.72983	0.4
387.15717	0.4
389.17905	0.8
400.17120	0.7
402.18549	1.1
403.19272	1.3
404.20508	0.9
405.21121	0.7
407.22397	0.6
415.19302	2.0
416.20432	0.9
417.16461	0.8
417.21552	2.1
419.22476	1.6
420.23181	1.1
428.15863	0.6
429.16995	1.5
429.21881	1.0
430.17407	2.6
431.18094	3.1
432.18942	1.0
432.23550	1.3
433.12427	1.1
433.20004	0.5
435.21948	0.7
443.18381	2.3
444.19183	3.3
445.20169	10.2
446.21332	2.8
447.21881	1.6
457.19965	0.8
458.20956	8.8
459.21802	6.2
460.22781	7.9
461.19485	4.9
462.20822	0.6
471.21896	1.1
472.22577	0.7
473.23914	0.9
475.21231	2.0
476.22321	1.3
477.23074	2.6
487.25522	0.8
489.19098	0.5
490.23547	1.2
491.24802	2.0
503.19971	0.7
504.25388	1.1
505.22195	0.7
516.21143	0.5
517.22729	1.7
518.23236	5.0
527.20740	0.5
530.23169	0.7
531.23883	0.9
532.24860	0.8
533.26123	3.2
535.23376	1.9
545.25800	2.7
546.26428	2.1
547.26801	0.6
548.37000	0.4
549.25378	1.1
560.24701	0.5
562.25372	0.5
563.26385	0.8
573.25067	1.1
577.27698	3.2
587.23065	1.2
592.26605	1.0
605.27722	13.2
606.28131	0.6
637.30304	100.0
638.30499	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	637.2875
Annotation	Insularine 2beta-N-oxide
Peak:m/z	Relative Intensity
54.72167	0.3
55.01877	2.0
55.05497	0.4
56.32201	0.3
56.96562	0.5
61.58239	0.3
67.05507	0.6
69.03419	0.7
69.07078	1.9
70.06578	1.0
70.44552	0.3
75.02293	0.3
79.05487	0.5
81.03380	0.4
81.07062	0.7
85.02901	0.7
85.06568	0.3
91.05460	0.7
93.07043	0.6
94.06569	0.8
95.04966	0.6
95.08613	0.4
97.06525	0.6
99.04425	0.4
105.07040	0.4
108.04484	0.8
108.08086	0.7
109.10159	0.4
112.07571	0.4
118.06491	0.5
120.08095	0.9
121.06474	0.3
121.10054	0.3
122.06034	0.8
122.09658	0.4
123.04311	0.3
127.03963	0.4
133.10117	0.3
136.07568	1.3
137.05974	0.8
140.07066	3.2
146.06009	0.4
148.07578	3.9
160.07558	0.6
168.06586	3.9
170.09692	0.7
174.05490	0.6
174.07813	0.4
174.09161	0.5
175.08635	0.4
177.05452	0.7
196.11211	0.4
197.10806	0.3
198.09203	0.7
199.08650	3.8
199.12271	0.7
201.10376	0.3
210.09186	0.5
211.12239	0.4
212.09483	1.0
213.10252	2.0
214.08943	0.4
214.11093	0.8
215.11829	1.5
224.10689	0.8
225.10265	4.0
226.08636	1.0
226.10805	0.6
227.08185	1.1
227.11804	5.6
238.08647	0.4
239.11751	0.6
239.37752	0.3
241.09752	1.1
241.13348	1.8
242.10513	1.0
243.11263	1.4
243.15007	0.5
252.10304	0.6
253.09583	0.4
255.11305	15.4
256.11737	0.3
257.12878	0.9
259.14502	1.2
266.10721	0.6
267.11383	0.6
269.12891	5.4
271.05869	0.4
271.14413	0.4
273.12143	0.7
274.12930	0.7
283.13358	0.5
284.11792	0.4
285.12341	0.9
287.13910	7.0
287.17081	0.4
289.15414	0.5
297.12366	6.2
298.13156	0.4
299.13748	0.7
303.13358	1.0
305.15070	0.9
315.13400	100.0
316.14044	3.2
317.14847	0.5
379.18185	0.3
393.16751	0.6
432.19046	0.3
449.06833	0.3
450.19870	0.4
492.27026	0.4
502.72482	0.3
509.30185	1.0
518.75775	0.3
573.26868	1.2
591.27802	0.6
601.26776	3.0
619.27643	21.6
620.27594	1.0
637.27271	1.2
637.36511	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	637.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01658	0.2
55.01878	2.1
67.05486	0.2
69.03423	0.2
69.07072	1.3
70.06586	0.2
70.08219	0.5
71.04964	0.2
72.08154	0.3
73.02904	0.2
81.03414	0.2
84.08150	0.3
85.02888	0.3
91.05479	0.2
94.06569	0.5
94.27361	0.2
95.04940	0.2
97.06535	0.4
108.04497	0.3
108.08122	0.2
109.02824	0.2
112.07608	0.5
120.08103	0.3
121.55913	0.2
122.06004	0.6
122.09677	0.2
123.04449	0.3
136.07561	0.5
140.07068	2.0
146.05992	0.3
148.07585	3.1
160.07562	0.4
168.06569	2.9
170.09610	0.2
174.05518	0.7
174.09108	0.3
181.08742	0.2
184.09970	0.2
189.10304	0.2
197.10902	0.2
198.09146	0.7
198.12776	0.2
199.08659	2.9
199.12402	0.4
200.10805	0.2
201.10202	0.4
203.09355	0.3
210.09221	0.3
211.12589	0.2
212.09473	0.5
213.10266	1.1
214.11029	0.7
215.11783	1.1
224.10748	0.4
225.10211	2.9
226.08841	0.8
226.10620	0.3
227.08208	1.4
227.11777	2.1
237.10161	0.3
238.08646	0.3
239.11694	0.3
240.08818	0.3
241.09735	0.9
241.13306	0.8
242.10426	0.8
243.11328	1.4
245.12939	0.2
251.11761	0.2
252.10255	0.8
254.10367	0.2
255.11299	13.1
256.11591	0.4
269.12875	4.2
271.14334	0.2
281.12912	0.2
287.14047	0.8
297.12363	5.1
297.15695	0.3
299.13983	0.9
305.14847	0.4
315.13388	100.0
316.13763	2.0
317.15176	0.3
452.18826	0.2
491.78128	0.2
601.26935	0.2
619.27380	0.3
637.27179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2659
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
54.22828	0.6
57.01241	0.6
57.30127	0.6
59.06086	1.2
69.25595	6.3
74.09686	0.7
91.05427	0.9
93.06965	0.6
105.06934	0.7
128.34987	0.6
140.79790	0.6
178.80676	0.7
203.06895	1.0
209.51628	0.7
244.36453	0.8
322.13300	0.8
374.16574	0.8
377.17767	1.0
378.18729	0.7
386.16125	1.1
387.16092	1.2
388.17712	1.5
391.19342	1.2
392.19687	0.9
393.20657	2.2
399.16092	2.9
400.16763	3.2
401.17709	3.7
402.18433	1.3
405.21255	0.8
407.22168	3.4
413.17834	3.9
414.18649	4.7
415.19293	9.1
416.20303	1.4
417.20963	1.1
418.18991	0.8
421.20139	2.6
425.17737	1.1
427.19247	2.0
428.20633	3.0
429.15619	1.0
429.21387	8.4
430.21747	1.4
435.21689	2.3
436.22000	0.8
437.18048	0.8
441.17200	1.3
442.17880	1.5
443.17285	3.4
443.22617	3.2
444.18860	4.8
445.20346	2.5
447.17737	0.8
455.19186	1.0
456.19254	1.0
457.20468	6.2
458.21176	4.2
461.19919	1.0
469.16284	0.8
470.21252	0.8
471.22272	6.8
472.23346	4.4
473.19601	4.9
474.20389	1.7
484.19049	1.7
485.19815	3.5
486.20575	7.0
487.21478	3.5
488.22391	1.1
489.23181	0.9
490.19827	4.1
499.21429	11.8
500.23077	3.5
501.23190	1.2
503.24939	3.8
513.19086	1.2
516.21490	1.5
517.22351	4.4
527.20831	1.9
531.23956	13.8
541.22607	0.9
543.23834	1.3
545.22241	1.3
549.24921	0.7
559.23444	100.0
560.23859	2.3
587.22961	17.4
619.25549	94.5
620.25598	2.3
637.26514	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62818	0.7
68.47964	0.6
90.06901	0.8
91.05442	1.1
98.21518	1.2
107.08588	1.2
109.59444	0.8
122.74363	0.8
146.49263	0.9
150.14592	0.7
170.09583	0.8
196.10056	0.9
223.12155	0.8
308.89987	0.7
373.15448	1.1
375.16095	1.1
377.17801	2.7
378.18481	1.6
386.15424	1.6
387.16205	1.0
388.17444	1.5
389.17816	2.5
390.18915	1.7
391.19452	3.7
392.20053	3.3
393.20822	4.1
398.15894	0.8
399.15997	1.8
400.16760	2.2
401.17664	3.1
402.18384	1.1
403.19156	0.9
405.20935	2.9
407.22342	6.2
408.23453	1.3
413.17615	2.5
414.18710	2.7
415.19473	9.3
417.21387	1.3
419.18607	2.1
421.20230	5.7
425.17639	1.5
427.19376	1.8
428.20154	3.2
429.15750	0.8
429.21182	7.6
430.21613	2.5
431.18521	1.7
433.20630	1.3
435.21671	5.8
436.22726	1.1
441.16702	1.3
442.17950	1.2
443.18332	3.2
443.22800	3.3
444.18768	4.1
445.20596	2.5
447.18274	2.4
457.20856	4.7
458.21194	4.3
459.17929	1.6
461.19965	2.2
462.20572	1.4
463.21487	2.2
469.16708	1.1
470.17151	0.8
471.22281	6.5
472.22443	4.0
473.19485	5.8
474.20593	2.1
475.17239	1.4
484.19073	2.2
485.19751	3.4
486.20615	6.3
487.21198	3.1
488.22284	1.0
489.19089	2.9
489.23276	2.9
490.19479	4.5
491.20758	1.3
499.21179	9.0
500.22348	2.2
502.20190	1.2
503.19666	1.4
503.25052	2.5
504.21609	1.0
513.19263	6.9
514.20142	1.7
516.21722	1.3
517.22339	16.6
521.25629	2.8
527.20911	3.1
528.22028	1.6
529.21973	1.5
531.24500	10.2
533.22302	1.0
543.23792	1.0
545.21967	1.4
549.25055	9.7
559.23450	75.5
560.23798	2.0
577.24158	3.4
587.22906	15.3
591.26282	5.2
605.24127	8.0
609.27094	0.9
619.25531	74.5
620.26361	1.7
637.26599	100.0
638.26642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01862	0.9
55.05511	1.3
55.48692	0.6
57.03432	1.5
57.07064	1.5
58.99581	1.2
59.12222	0.6
61.02925	0.7
67.05490	2.1
69.03434	49.0
69.07060	3.2
70.06578	0.6
70.91217	0.7
70.97173	1.8
71.04996	3.2
71.55806	0.7
72.08142	1.3
73.02911	1.7
73.80019	0.5
75.70303	0.6
76.02231	5.6
79.05482	2.1
81.03419	7.3
81.07057	3.7
83.04986	4.5
83.08606	1.1
84.08150	0.8
85.02910	25.7
85.06547	1.6
87.04477	0.8
87.27051	0.6
91.05489	3.3
93.07037	3.9
95.04968	1.3
95.08614	7.3
97.02903	9.7
97.06566	3.1
99.04459	13.4
99.28426	0.6
100.02194	1.0
102.05535	1.1
103.03951	23.6
105.00063	1.9
105.07027	3.2
107.04966	1.3
107.08601	10.7
109.02893	7.3
109.06513	4.0
109.10159	2.1
111.08085	2.8
113.05985	0.6
117.07008	0.7
119.08589	4.6
121.06506	1.4
121.10154	12.3
121.23181	0.6
122.02736	16.3
123.08087	3.4
123.11713	5.7
125.09636	13.5
127.03925	32.2
131.08582	5.4
133.10123	4.2
135.08058	9.6
135.11690	5.5
137.09593	0.8
145.04974	16.9
145.10127	3.7
147.11681	1.9
149.09633	6.4
149.13300	1.9
151.11192	1.6
153.09105	5.7
156.13506	0.7
158.10927	2.2
163.06035	14.6
163.11195	2.6
163.14830	5.7
165.12755	1.9
167.10687	2.8
173.13275	20.0
176.11960	1.2
187.06044	3.1
190.05272	1.3
191.14320	69.6
204.12488	0.7
205.07082	2.0
209.15381	100.0
210.15756	1.2
212.03795	1.9
223.11546	2.0
241.12614	6.6
268.11746	0.7
271.08200	2.3
289.09241	1.6
303.05023	0.9
307.10300	7.4
330.17383	9.6
392.09952	1.1
397.39856	0.8
426.19440	0.8
525.52014	0.7
618.26355	1.0
636.26758	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	635.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09676	0.3
63.09656	0.3
63.77980	0.3
69.07063	0.4
69.21132	2.3
69.21552	1.2
72.15632	0.3
89.77753	0.3
91.05487	0.5
93.07059	0.5
95.08611	0.8
105.06958	0.5
126.66889	0.3
127.36404	0.4
191.41960	0.4
203.07123	0.4
209.10670	0.4
211.80988	0.4
212.77159	0.3
221.10835	0.6
223.12303	0.6
224.13077	0.4
235.12508	0.5
237.13773	0.6
247.12320	0.4
271.86490	0.4
387.15717	0.4
388.16776	0.4
389.17703	1.2
390.18362	0.4
401.18076	0.6
402.18649	1.1
403.19263	2.6
404.20026	1.5
405.20834	1.6
415.19339	1.0
416.20425	0.9
417.16284	0.9
417.21368	3.5
418.21677	1.3
419.22443	1.4
429.16888	0.7
430.17438	1.7
431.17899	4.5
431.23563	0.9
432.19528	1.5
432.24084	0.7
433.24362	3.0
443.18527	0.6
444.19586	1.1
445.20004	7.0
446.21014	2.2
447.21695	0.8
447.53122	0.4
458.21320	0.6
459.17285	1.1
459.23105	2.3
460.22772	3.7
461.23538	4.3
471.22137	0.5
472.22629	0.5
473.19193	0.9
473.24673	0.5
475.21411	1.1
477.22964	0.6
487.21463	1.2
487.25836	0.4
488.21933	2.8
489.22849	5.2
501.22919	1.3
502.24573	0.5
505.22266	0.8
515.24762	0.9
517.22412	0.8
518.23151	0.9
519.24127	0.7
531.24231	0.5
532.24854	0.9
533.22040	1.1
547.27594	7.1
560.24396	0.5
575.26569	22.3
576.26819	0.5
603.25885	0.6
607.29010	0.9
635.28680	100.0
636.29089	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	633.346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85187	0.5
55.05513	0.7
63.42081	0.5
63.53326	0.6
69.03431	1.0
69.07098	0.6
70.65475	0.7
71.10655	0.7
79.05515	1.1
81.03438	1.0
81.07052	1.8
85.02904	1.4
85.06541	0.9
91.05506	1.1
93.07088	1.0
95.08611	0.7
97.06561	0.7
98.97581	0.9
102.52757	0.6
105.04433	0.6
105.07030	1.3
107.08622	1.0
120.08139	0.8
127.03935	1.1
133.10158	0.8
137.05994	1.6
145.10182	0.7
147.11729	0.7
153.05525	1.0
167.07030	0.8
177.05426	1.1
287.05579	1.1
337.25989	1.7
367.27524	0.9
385.28976	5.5
409.28149	1.0
447.43079	0.6
499.31540	1.1
529.33337	4.6
547.34326	8.8
571.34503	4.9
580.00037	0.7
589.35596	27.7
590.35791	0.7
615.33136	4.2
633.34656	100.0
634.35120	2.4
664.75970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05535	1.7
56.96567	1.4
66.10941	1.3
67.05514	3.1
69.03460	1.4
69.07049	1.8
70.05139	6.1
79.05492	3.9
81.07051	3.0
82.06612	1.8
83.04974	1.3
84.08144	3.4
85.02914	1.5
85.06554	1.4
91.05492	5.3
93.05759	1.3
93.07060	6.2
94.06615	7.5
95.04974	3.0
95.07346	4.6
95.08633	3.3
96.08138	13.7
97.06492	2.3
98.06051	1.5
98.21537	1.2
103.05457	3.1
105.07040	2.7
106.06602	1.6
107.08630	1.6
108.08138	10.7
109.10168	2.4
110.09697	19.9
116.04976	1.5
119.08597	2.7
120.04484	2.5
120.08118	31.8
122.06041	3.3
122.09647	1.9
123.06783	1.3
124.07628	5.0
130.06531	2.8
131.08578	1.4
132.08163	1.3
133.10120	2.4
136.07579	8.1
138.09149	21.7
140.07162	2.2
143.08559	1.6
144.04424	2.4
144.08084	1.9
146.06015	4.8
146.34550	1.4
148.07590	8.7
152.07056	2.9
160.07611	2.5
163.03955	1.6
164.07115	4.3
166.08659	26.0
166.09946	2.3
172.03986	4.5
172.07623	6.2
173.13297	1.8
174.09128	3.9
177.05373	1.4
179.06995	2.1
190.05034	3.9
197.10693	1.8
204.06567	9.5
208.10005	2.0
209.10759	10.4
210.11520	7.2
211.12329	15.9
212.13106	12.8
213.10275	1.7
220.09988	4.3
221.10722	3.1
222.11565	3.7
223.08760	1.8
223.12257	13.3
224.13084	4.6
225.10275	2.9
225.13831	4.4
233.10706	2.3
235.08731	2.9
235.12375	9.1
236.09412	11.2
237.10258	25.2
237.13821	2.5
238.11012	8.0
239.11783	9.6
247.08565	2.5
247.12387	1.6
248.09474	13.8
249.10291	17.5
250.10959	8.8
251.11821	57.4
252.12572	8.4
253.13350	18.6
261.10196	2.5
262.11002	2.3
263.11816	89.3
264.08868	2.0
264.12546	4.3
265.09775	7.7
265.13391	14.6
266.10550	3.9
267.11310	3.3
269.12820	2.8
271.10806	5.0
275.11838	6.1
277.09674	8.3
277.15628	2.0
278.10565	10.1
279.11307	59.2
280.11896	8.5
281.12787	10.5
283.14444	7.5
284.06818	3.2
291.11298	31.4
292.12106	4.5
293.12854	4.5
295.14398	5.9
297.12448	3.0
299.09149	18.1
299.14169	2.9
309.12357	4.3
310.13116	3.6
311.13864	22.0
315.65558	1.3
323.10275	2.7
323.13931	18.9
325.11838	6.0
325.15332	1.8
328.14529	1.6
342.16074	1.7
344.17514	1.9
348.20682	3.4
355.12918	4.4
357.14392	2.0
362.18661	1.7
374.18704	2.2
376.20273	23.8
377.20990	1.9
384.17288	2.4
393.07690	1.6
400.16495	3.9
402.18051	4.9
403.18967	3.0
404.19766	2.6
412.16544	6.3
416.19687	10.2
418.21457	40.5
428.19797	2.3
430.17661	4.5
436.18716	3.5
444.19263	77.6
445.19614	6.6
446.20929	5.1
448.22186	4.6
462.20410	6.8
476.21860	100.0
477.22043	3.3
519.10632	1.5
539.26337	1.7
565.24249	5.8
569.41083	1.6
583.25604	6.8
601.26526	19.4
633.34052	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	631.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.05508	8.3
59.04988	1.9
65.03931	2.9
67.05520	17.0
67.33505	2.0
69.07058	8.4
69.21661	22.1
71.04955	2.3
79.05494	22.5
81.07063	17.5
83.08611	4.6
91.05486	80.2
93.07052	37.4
95.04961	4.9
95.08598	16.5
97.10162	2.7
98.20721	5.3
105.03368	2.8
105.07029	19.3
107.08600	23.5
109.06516	4.7
109.10147	9.2
117.07020	4.3
119.08586	16.8
121.06523	4.6
121.10161	17.4
123.08054	3.8
123.11671	2.8
129.06990	2.5
131.08539	8.5
133.10143	10.1
135.11719	11.9
143.08604	3.2
145.06512	3.0
145.10103	6.0
147.04367	2.9
147.08170	3.2
147.11668	8.6
149.09592	2.5
149.13257	11.7
151.07542	4.2
157.10172	2.9
159.11722	6.6
161.05881	3.0
161.13304	4.0
163.11224	2.7
163.14812	3.7
165.06943	4.5
171.11618	2.3
173.13168	4.1
175.14752	2.6
177.05479	5.4
179.08521	4.5
181.10086	5.8
185.13237	2.6
187.07552	2.6
189.05489	6.7
191.03197	3.6
191.06914	2.9
191.08521	2.8
191.97112	2.3
192.07698	2.9
195.08102	2.9
197.13254	3.0
201.05643	2.3
201.09099	2.6
201.16331	3.1
203.07030	30.2
203.17955	2.4
205.04822	2.2
209.09709	4.4
211.07585	2.5
211.11292	2.9
213.09007	3.3
217.08536	2.3
229.08553	4.2
237.09135	4.0
239.10684	2.7
243.10220	12.7
251.10526	2.8
259.09644	2.1
259.20627	3.3
267.10178	100.0
268.10492	4.1
285.11255	5.2
291.23218	15.1
293.17343	3.2
305.07916	2.6
309.16745	3.1
323.16367	13.2
343.22781	2.2
361.14102	23.0
377.21194	2.3
379.11429	2.8
395.14307	6.9
397.08881	5.7
408.46478	2.2
409.20184	2.3
411.14133	3.2
429.15463	5.8
490.96713	2.3
542.80157	2.2
567.27148	2.7
588.88098	3.1
599.29974	4.1
613.30225	4.5
613.38873	68.9
614.38910	3.3
631.30695	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	631.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46769	0.5
59.64794	0.5
69.03439	0.6
70.06603	0.7
71.56783	0.6
81.07067	0.9
95.08607	0.8
97.02909	1.2
105.07013	0.6
109.10179	0.6
127.03989	0.5
127.46200	0.5
135.61255	0.5
145.10187	0.8
147.11801	0.6
177.05469	1.1
210.43398	0.5
295.23376	0.5
300.09586	0.6
301.07010	1.0
329.23343	1.1
347.25314	1.1
365.26401	2.3
380.00797	0.6
383.27713	2.7
384.87576	0.5
491.29489	0.8
509.30850	1.5
527.31702	4.8
545.33057	5.8
551.31671	2.9
569.33032	7.4
587.34082	20.0
595.30945	2.6
613.21954	0.8
613.31946	16.6
631.33081	100.0
632.33887	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	631.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.5
56.96563	0.7
67.05508	1.3
69.03448	0.7
69.07075	0.7
69.47961	0.6
70.06625	0.5
71.04986	0.6
71.56548	1.1
79.05486	0.9
81.07063	1.7
81.32292	0.5
84.08133	1.1
85.02910	1.4
91.05476	1.5
93.07049	1.5
95.04942	0.7
95.08617	2.6
97.02911	0.7
97.06561	0.7
98.97568	0.6
105.07041	1.6
107.08604	1.8
109.06526	0.8
109.10150	1.2
119.08591	1.7
121.10165	1.7
123.11734	0.8
124.07569	0.8
129.07042	0.7
131.08580	1.3
133.10165	1.8
137.09683	0.5
140.07097	0.6
141.01877	0.7
143.08545	0.8
145.05081	0.5
145.10162	1.3
147.11749	1.4
149.13220	0.7
157.10225	0.6
159.11729	1.6
160.07571	0.6
171.11795	0.8
173.13330	0.8
175.14853	0.8
187.14883	0.8
199.14832	0.9
201.16379	0.9
207.11356	0.6
213.13339	0.6
225.10349	0.6
229.12862	0.9
231.14348	0.7
239.07045	1.0
257.08035	0.7
285.07639	1.9
287.05759	0.7
287.14078	1.0
335.24548	0.7
344.32196	0.6
347.24725	0.8
357.18600	1.0
358.66821	0.6
365.26263	0.7
383.27527	3.8
399.19989	1.9
400.16483	1.0
407.33224	0.6
419.33377	1.0
425.28159	0.8
437.34180	1.7
443.19485	1.2
458.17078	1.0
475.10376	1.0
509.30688	0.8
527.31445	4.1
534.42175	0.7
544.52527	0.7
545.32935	8.3
569.33148	2.1
587.34064	27.9
588.34271	1.6
595.30981	1.5
599.25146	1.9
613.23242	0.7
613.31433	4.2
626.72498	0.6
631.33032	100.0
632.33545	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	631.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98423	0.5
70.06586	0.8
71.56675	0.6
80.18538	0.5
91.05475	0.6
95.08604	0.6
96.06583	0.5
97.27216	0.5
102.05544	1.5
107.08570	0.7
133.10091	0.6
137.05989	0.7
145.02757	0.5
145.42053	0.5
169.06778	0.5
212.20622	0.6
269.08151	1.1
335.24213	0.7
347.24405	0.9
365.25519	2.3
381.82486	0.5
383.27701	5.4
385.45764	0.4
411.27432	0.7
515.31927	0.7
522.29132	0.5
527.31207	4.3
545.32813	7.4
557.32483	0.7
569.33118	2.8
587.34045	29.1
588.34564	1.1
613.31836	4.5
631.33008	100.0
632.33423	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	631.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01871	0.6
55.05501	2.1
56.11512	0.6
57.07075	0.7
65.03951	0.9
67.05511	5.4
69.03400	0.7
69.07085	3.4
69.22935	6.0
71.04986	1.0
79.05495	3.6
81.03413	1.5
81.07065	6.4
83.04985	0.8
83.08606	0.7
85.06522	1.2
88.39676	0.5
91.05491	7.9
93.07043	4.2
95.01315	1.5
95.04971	4.5
95.08617	5.8
96.35901	0.5
97.06536	0.9
98.21447	1.2
103.05480	0.9
104.27885	0.7
105.07039	7.3
107.04972	1.5
107.08598	5.4
109.06504	2.6
109.10171	5.9
111.04437	1.1
115.05447	1.5
117.07062	3.1
119.04949	1.0
119.08591	6.6
121.02857	0.9
121.06489	3.4
121.10161	3.3
123.08086	0.6
123.11707	4.0
125.06000	1.9
127.11189	2.0
128.06226	2.0
129.07034	4.8
131.05011	0.7
131.08549	4.5
133.02832	1.7
133.06517	1.1
133.10143	2.5
134.78120	0.6
135.08060	0.8
135.11682	1.4
137.02281	0.7
137.05968	0.8
139.11305	0.6
141.05487	0.9
141.06984	1.5
142.07790	1.5
143.08562	3.6
145.06479	2.7
145.10126	5.9
147.04408	2.8
147.08034	3.9
147.11732	3.9
149.02362	2.4
149.05983	1.7
151.03983	1.1
153.05447	1.4
153.06975	0.9
155.07060	1.8
155.08556	1.7
157.06548	1.4
157.10144	3.2
159.04425	3.9
159.08104	1.5
159.11702	2.6
160.05183	0.7
161.02367	6.5
161.05954	4.3
161.09616	1.3
161.13269	1.5
163.03938	1.7
163.07512	1.3
165.07005	1.6
167.03380	1.8
167.08580	1.4
169.06441	1.0
169.10141	1.6
171.08057	1.0
171.11745	0.9
171.88564	0.6
173.05963	1.7
173.09625	1.4
173.13277	0.8
175.03940	2.6
175.07585	3.3
175.11224	0.9
175.14847	0.9
177.05521	5.9
179.07059	1.4
179.08551	1.5
180.09222	0.6
181.06461	1.2
181.10083	1.9
183.04362	0.6
183.08049	1.0
183.11583	0.7
185.05992	5.4
185.09636	0.9
187.07498	1.5
187.11154	0.7
187.14828	1.0
189.05463	1.4
189.09100	2.6
191.07124	3.1
193.10146	1.6
195.08061	1.4
195.11746	1.3
196.08743	0.7
197.06081	1.0
199.07607	1.5
199.11218	0.9
199.14796	2.0
201.05406	1.1
201.09088	1.3
201.16391	5.6
203.03365	2.5
203.07045	100.0
203.17966	2.2
205.04951	1.5
209.08063	2.1
209.09770	1.3
209.13202	0.9
211.07643	1.1
213.09149	1.6
213.12840	1.0
215.07040	1.0
215.10730	0.8
219.17532	1.3
221.09779	0.9
221.11760	2.5
223.07623	1.8
223.11130	0.7
225.09117	1.4
227.10709	2.2
229.08626	1.2
229.15897	1.0
235.05916	1.6
235.11322	0.8
237.09129	1.5
237.12766	0.7
239.10663	2.2
241.08586	1.2
243.10162	5.4
251.06989	0.8
253.08530	1.2
253.15988	1.4
263.14331	0.9
267.17419	0.7
269.08154	2.0
269.11740	0.7
271.09570	0.9
277.12634	0.8
277.15869	1.0
281.08261	0.9
281.11279	0.7
281.15363	2.1
283.20645	0.7
291.10339	0.8
293.19089	1.0
299.16409	1.3
309.16705	1.0
311.20068	2.4
325.21671	0.8
335.12701	0.9
337.17950	0.8
341.21286	1.4
343.22699	5.3
345.14853	1.5
349.14462	0.8
351.12088	0.9
361.14108	1.1
367.15567	0.6
377.20938	0.8
379.11447	3.7
379.22882	1.0
387.19724	1.3
391.18893	0.7
393.24359	1.2
395.15018	1.1
395.64304	0.7
397.19980	0.9
405.20706	2.1
411.14301	5.6
411.25494	4.4
413.15836	1.3
419.22113	2.7
425.16165	1.6
429.26331	1.1
433.16861	0.7
437.23450	4.3
455.24268	2.3
549.27142	1.0
563.27899	1.2
581.28455	2.3
595.28088	0.7
599.29968	2.0
613.31360	2.5
631.32556	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	631.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.56926	0.9
55.01855	1.1
55.05501	3.6
57.07064	1.4
59.05009	1.2
67.05509	9.2
69.03410	1.8
69.07067	9.6
71.05004	1.2
71.18753	1.2
71.19086	1.5
75.04455	1.0
77.03940	0.8
79.05489	7.1
81.03413	1.1
81.07060	13.3
83.08611	1.9
91.05470	10.2
93.07059	9.2
95.01346	2.2
95.04968	3.6
95.08611	11.2
97.06524	1.2
99.04471	2.1
103.05468	1.2
105.07041	11.0
107.04939	2.6
107.08583	7.7
109.06496	3.2
109.10162	9.4
111.08086	1.0
115.05463	2.1
117.07017	3.4
119.04959	1.4
119.08609	9.5
121.02850	0.9
121.06524	4.6
121.10160	5.9
123.04471	1.6
123.08110	1.2
123.11708	2.1
125.06007	1.4
128.06259	2.0
129.06989	3.8
130.07771	0.8
131.08566	5.3
133.02756	1.2
133.06471	1.7
133.10143	5.9
135.04427	2.1
135.08064	1.9
135.11650	2.4
136.05229	1.2
137.05997	2.7
137.13234	2.0
141.07021	2.0
142.07733	1.7
143.08566	3.1
144.05684	1.7
145.06468	3.8
145.10101	3.7
147.04420	1.9
147.08035	4.4
147.11720	3.5
149.02344	4.2
149.05974	2.8
149.09557	1.3
149.13280	2.0
151.03908	2.0
151.07527	3.7
153.07135	1.4
154.07739	1.4
155.08549	2.6
157.06429	2.9
157.10138	3.6
158.07272	1.8
159.08044	3.7
159.11720	2.3
160.05212	1.5
161.02333	7.6
161.05991	6.8
161.09605	2.5
161.13271	1.3
163.03880	2.1
163.07513	1.4
163.14764	1.1
165.06955	2.2
165.09123	2.3
166.07722	1.6
167.03419	2.3
167.07085	1.8
167.08524	3.3
167.10776	1.1
168.09302	1.1
169.04955	2.6
169.06459	1.9
169.10117	2.4
171.07999	4.3
171.11693	1.8
172.08913	1.2
173.06044	2.2
173.09622	3.9
173.13286	1.9
174.06874	1.2
175.03905	2.4
175.07571	4.5
175.14821	1.3
177.05470	3.6
177.09073	2.4
178.07787	1.0
179.07007	4.9
179.08545	2.4
181.06439	1.6
181.08646	1.7
181.10106	3.0
182.07275	0.9
183.08029	2.4
183.11700	1.5
183.27913	0.9
185.05986	5.9
185.09622	3.9
185.13292	1.0
187.03906	2.8
187.07542	7.0
187.11061	1.5
187.14778	1.4
188.08318	1.4
188.11835	0.9
189.05452	1.4
189.09097	5.4
191.07030	7.3
191.10767	1.1
192.07829	5.5
193.04955	1.9
193.08571	1.2
193.10130	2.2
195.08086	3.2
195.11809	1.3
196.08789	1.5
197.05933	1.2
197.09639	4.1
199.07516	2.3
199.11238	2.1
201.05359	2.0
201.09068	6.0
201.16342	2.6
203.07036	100.0
203.17957	3.0
205.05009	1.1
205.08398	1.6
205.12230	1.0
207.06512	2.1
207.11699	3.1
208.08771	1.5
209.07944	1.9
209.09688	2.3
209.13217	1.5
211.07549	2.9
211.11189	3.4
211.14857	1.1
213.09134	6.6
213.12683	1.7
215.07060	1.0
215.10686	4.6
216.11334	1.3
217.08521	1.5
217.12242	1.2
221.09619	2.1
223.07535	1.4
223.11124	2.3
223.14751	1.3
225.09113	4.1
225.12773	1.9
227.07014	1.7
227.10625	3.7
227.14215	1.1
229.04939	1.3
229.08574	4.1
229.12263	1.7
233.09705	1.2
235.11272	1.2
235.14859	1.0
237.09276	2.0
237.12762	1.8
239.10689	2.1
241.08669	5.9
241.12271	2.8
243.10175	22.4
243.13814	1.3
247.11151	1.4
249.09154	1.1
251.06921	0.9
251.10789	1.1
251.14261	1.5
253.08607	1.8
253.12260	1.0
255.10043	2.3
255.13852	3.3
257.08002	1.9
257.11703	1.2
259.09393	1.7
263.14240	1.7
267.06274	1.0
267.10312	1.0
269.08002	2.4
269.15338	1.3
271.09650	8.3
277.15979	1.9
279.17502	1.1
283.20569	1.5
285.14874	1.0
295.17215	1.4
295.20428	1.0
299.09183	15.5
301.21719	1.4
311.20059	1.9
313.21637	1.9
319.13379	1.3
319.20502	2.3
321.18591	1.5
325.21466	1.5
339.19504	3.6
343.22842	4.7
351.23172	7.5
353.21124	1.8
357.20685	1.5
367.15363	2.4
369.24310	7.2
371.22079	5.5
373.20178	1.6
379.22495	2.5
383.15137	1.3
383.25839	3.1
397.23813	1.5
405.21109	1.0
411.14563	7.4
411.25336	1.9
417.13306	1.1
435.14157	1.5
437.23193	1.5
449.15976	2.1
471.17657	1.1
521.27112	2.0
537.30292	1.3
549.25800	2.4
553.29572	13.0
555.31390	1.5
563.27814	2.6
567.27643	1.7
569.28741	2.3
571.30530	21.0
581.29138	6.9
585.31897	2.6
595.29700	1.2
599.30011	7.2
603.32910	1.8
613.31506	7.3
617.31549	1.1
631.32666	9.8
658.24200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55235	2.6
53.03937	5.1
55.01877	5.1
55.05521	6.6
57.07076	4.5
57.95234	2.4
65.03919	3.2
67.05508	13.7
68.53452	2.4
69.07069	22.3
71.58840	4.6
72.19421	2.7
79.05496	18.6
81.03405	3.5
81.07071	19.8
83.08617	6.6
84.77990	2.5
85.02943	2.7
85.68031	2.8
91.05488	19.0
93.07054	19.2
95.04961	4.1
95.08610	19.5
98.21017	3.7
105.07036	33.1
107.04955	3.6
107.08586	13.3
109.06555	7.1
109.10148	14.9
111.08038	3.0
115.45056	2.6
115.51134	2.6
117.07037	9.8
119.08588	20.4
121.06521	4.7
121.10159	11.6
123.11698	9.3
125.87511	3.0
129.07016	5.8
131.04907	3.5
131.08577	9.7
133.02850	9.0
133.06531	4.4
133.10127	12.6
135.00833	2.5
135.08049	5.5
135.11664	3.8
137.05949	3.9
139.03909	7.2
143.08516	5.0
145.06517	5.5
145.10143	11.3
147.04361	5.1
147.08057	6.2
147.11711	12.0
149.02342	3.2
149.06039	3.5
149.13373	3.3
151.03941	2.8
151.07503	4.7
155.08574	4.4
157.06410	3.0
157.10175	5.0
159.08063	4.1
159.11772	5.8
161.02328	6.1
161.05974	6.9
161.13245	3.2
163.03833	3.6
165.05550	2.9
167.03415	3.6
167.08597	5.3
171.08089	4.3
173.06027	8.6
173.13303	4.2
175.03893	3.3
175.07611	5.6
175.14830	5.2
177.16402	4.2
179.07059	7.6
179.08589	3.7
181.06528	4.9
181.10165	4.5
183.08176	3.8
185.05983	8.2
187.03917	5.1
187.07487	2.8
189.05478	7.6
189.09064	3.4
191.07054	10.0
193.04976	29.9
197.09727	3.7
199.07509	3.1
201.05316	2.8
201.09059	7.0
201.16428	6.7
203.07040	100.0
203.17947	8.9
205.04958	4.9
207.06461	6.5
209.09604	2.9
211.07533	4.4
213.05655	3.1
213.09169	3.2
215.10744	4.2
215.17950	3.1
219.03003	3.1
223.07573	2.8
225.09155	4.3
227.07001	4.0
227.10672	3.4
229.08665	3.5
229.12210	3.3
243.10213	66.2
257.08191	4.3
269.08194	4.9
271.09372	2.8
315.69211	3.0
325.17688	3.7
329.21127	3.1
367.14651	4.4
379.22601	4.0
381.13806	5.5
389.23242	5.5
393.13547	2.7
397.23724	8.6
398.50366	2.8
411.14761	7.9
521.27167	4.2
539.27435	3.8
549.26642	6.2
563.26379	3.0
567.27734	4.7
581.28973	9.6
599.30194	23.2
606.21503	3.0
631.32727	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.9
57.03411	0.8
67.05505	1.2
69.03417	1.5
69.07063	5.1
69.21337	2.0
69.21748	8.0
79.05486	2.0
81.03415	1.3
81.07055	3.2
83.08595	1.0
85.02890	2.0
85.06554	0.8
88.31328	0.7
91.05470	2.6
93.07032	2.5
94.06574	5.9
95.04953	1.8
95.08603	1.7
96.19048	0.8
97.02905	1.1
98.97602	1.9
105.07034	2.1
107.04960	1.0
107.08591	1.6
108.08096	2.2
109.02885	1.1
109.10146	1.7
116.04984	1.3
119.08572	1.4
120.08060	1.0
121.06518	1.1
122.06038	13.7
123.04437	0.8
131.08543	1.4
133.10110	1.7
134.06064	1.4
135.11685	1.3
137.05975	1.5
140.07071	22.8
144.04424	3.5
145.10150	0.9
146.06010	10.4
147.06760	1.3
148.07594	2.2
150.09154	1.2
154.57880	0.9
159.11612	1.0
162.05515	1.5
167.07047	1.2
172.03969	14.6
173.04706	1.8
173.13347	1.2
174.05524	12.2
176.07101	7.2
177.05510	1.0
182.09627	1.0
190.04976	3.4
191.05737	2.1
196.09911	1.0
197.10786	1.5
199.12276	1.9
201.08075	0.9
204.06593	22.7
206.08131	9.0
209.10817	1.3
211.08698	1.7
212.09338	1.2
213.10245	1.1
223.08524	0.9
224.09444	1.8
225.10201	7.0
227.11792	10.2
236.09593	0.8
237.10179	3.3
238.11009	2.0
239.11786	3.5
241.09584	1.3
241.13356	1.4
249.10223	2.0
250.10855	1.1
251.08157	1.1
251.11934	2.2
253.09662	3.1
255.11333	1.0
261.12405	3.0
263.08234	1.4
265.09662	2.5
267.11255	2.6
269.12814	10.6
271.10693	4.7
277.09784	1.8
279.11270	2.3
283.10791	9.1
284.11517	5.6
285.07538	1.1
285.12402	3.8
287.13870	24.6
295.10721	1.5
297.12421	2.8
299.05548	1.2
299.15302	1.3
301.07178	1.4
301.12122	3.4
311.05493	0.9
312.14932	1.0
313.11838	28.7
314.13055	2.5
315.13760	2.7
316.14545	5.8
323.10303	1.0
326.16522	1.3
328.14569	1.6
329.11594	3.0
329.15237	1.9
330.12326	2.6
330.16034	6.8
331.12839	5.8
331.16797	7.7
342.12372	6.3
342.16147	1.7
343.13254	4.2
344.13861	1.4
344.17526	6.1
345.14526	12.5
354.16177	1.7
355.13882	2.1
356.13846	5.6
357.14703	3.1
358.15524	7.4
365.23706	1.5
370.11456	1.4
370.15485	2.9
372.17047	5.5
374.18521	1.4
382.11713	2.6
382.15839	1.2
383.12585	2.9
383.24786	1.8
384.13364	14.1
384.18045	1.2
385.13931	4.0
386.14453	5.2
386.19040	1.8
388.16476	1.7
390.18112	6.4
394.15518	1.0
398.15051	12.2
399.15823	24.6
400.16574	30.1
402.14362	2.3
412.16464	1.1
414.18295	6.7
415.18881	1.3
416.15921	2.7
417.16925	6.3
418.17715	8.1
430.17487	2.4
431.18304	1.5
440.16068	3.6
444.15289	1.8
458.17139	35.3
459.17899	18.3
460.18616	4.1
490.19888	6.0
491.20322	3.2
527.28796	1.5
545.29694	2.2
555.25397	1.6
557.23993	3.4
581.23999	7.5
587.31421	2.5
599.25049	100.0
600.25012	2.3
631.31500	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	631.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01884	2.3
57.03444	1.4
67.05536	0.9
68.99817	1.5
69.03436	8.4
69.07061	1.0
71.05019	1.6
71.07569	1.6
73.02928	1.4
79.05521	2.2
81.03424	7.4
81.07071	1.3
81.55708	0.8
84.04536	0.8
85.02910	16.5
87.00834	4.9
91.05499	3.2
94.04208	2.1
95.04989	1.0
95.08625	1.1
95.41183	0.8
97.02884	7.3
99.04491	2.5
103.05495	2.0
105.01897	3.8
105.07042	10.9
107.04982	1.1
107.08611	1.2
109.02879	7.3
109.06551	1.6
115.05481	3.6
119.08633	1.5
121.06448	1.1
121.10233	1.1
122.03676	5.0
123.04441	1.4
127.03927	14.2
127.05416	1.0
128.06229	1.8
131.04993	1.1
133.06506	7.0
137.05984	57.5
145.05042	2.6
145.10098	1.1
146.03677	3.7
147.04318	1.0
149.06001	2.0
159.02872	4.6
159.40480	0.9
161.05989	58.4
163.07564	1.4
165.06989	0.9
171.08162	2.1
175.07613	2.6
177.05583	2.0
179.07069	1.2
184.05286	1.5
185.06076	1.0
187.07535	1.2
189.04025	1.1
189.07016	1.1
191.08664	2.5
192.09396	1.5
199.07547	12.9
202.07787	12.1
203.06972	1.2
203.08586	18.7
203.10382	1.4
204.09467	2.4
204.86917	0.9
205.06583	2.3
209.22318	1.0
212.73926	0.8
218.07359	1.1
219.08083	7.2
220.08784	6.5
221.08112	1.1
230.07455	2.9
231.05598	1.7
231.08060	35.6
232.08809	9.2
233.05991	1.4
234.10336	0.9
235.11333	2.4
245.09857	1.2
247.07518	6.6
248.08350	18.7
248.10664	1.0
249.09154	2.6
253.13400	1.2
258.06860	3.0
259.07535	26.4
260.08347	14.5
261.05737	1.0
261.09161	1.8
262.09933	2.3
263.10675	20.2
263.13147	1.2
265.08786	3.1
273.09164	1.8
275.07211	3.4
276.07825	14.9
277.08792	4.0
280.11093	1.5
290.09464	2.1
291.10162	100.0
292.10776	5.1
293.08228	4.8
293.11237	1.3
295.09830	1.5
295.13455	3.1
302.09369	1.2
303.10141	1.4
307.09680	1.3
308.10483	5.6
315.10156	1.0
323.12790	95.5
324.13309	2.4
333.11447	2.6
335.13144	2.5
347.13254	1.0
365.14047	3.1
374.85901	1.0
383.11288	1.3
383.27963	1.6
527.31824	1.4
545.33423	2.6
569.33142	1.8
587.33990	8.0
599.25189	1.6
613.31641	6.0
631.15967	1.9
631.33337	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	631.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66933	0.5
65.03919	0.6
67.05483	1.0
69.07029	0.4
69.90308	0.8
69.90720	1.5
79.05456	1.2
81.07009	1.4
81.47749	0.4
85.02877	0.5
90.73888	0.3
91.05496	2.9
91.05967	0.7
93.07038	0.7
94.23221	0.4
95.04947	1.0
95.08605	0.9
98.11496	0.4
102.69744	0.4
105.07008	1.1
107.04922	0.6
107.08546	0.7
109.06466	0.6
109.10136	0.8
115.05408	0.5
119.04860	0.6
119.08539	1.2
121.06518	11.6
123.04427	0.5
123.11691	0.4
131.08569	0.6
133.10088	0.7
134.03574	0.7
135.04414	3.0
143.08575	0.4
145.06499	0.6
145.10117	0.8
146.03630	0.4
147.04308	0.4
147.08076	0.6
149.02373	3.0
149.05974	2.8
151.03888	0.9
153.05417	1.0
155.08514	0.7
157.10136	0.5
158.07234	0.6
159.07996	0.7
161.02328	0.8
161.05951	1.2
161.09618	0.4
162.03125	0.7
163.03885	1.4
164.04576	0.4
165.99174	0.4
166.68962	0.4
167.03481	0.5
171.07970	0.9
173.05962	1.6
175.03902	0.6
177.05476	34.1
179.03447	0.7
179.07143	0.7
183.06509	1.0
183.08005	0.8
184.05183	0.6
185.05962	1.0
187.03943	1.9
187.07497	2.5
191.03424	0.9
192.04176	1.1
193.04999	4.3
194.05487	1.1
198.06943	0.4
199.07513	1.1
201.05447	0.9
203.07021	4.7
205.04974	33.5
206.05330	0.5
207.06511	7.9
209.04413	0.7
209.09659	0.5
211.07530	1.0
215.07082	0.7
225.09201	0.7
229.05055	0.4
229.08502	0.5
230.05696	0.4
233.04393	0.4
237.08888	0.6
239.07079	0.9
241.08679	0.5
243.10112	0.5
245.04161	0.4
245.07925	0.5
253.08563	1.2
257.08041	1.4
258.05078	0.5
263.06970	0.9
265.08566	0.7
273.07626	2.4
277.08630	0.9
279.10165	0.5
281.08121	0.7
291.06619	0.8
291.10190	0.6
293.08072	0.5
295.09631	0.7
302.09674	0.4
305.08197	2.2
305.11316	0.5
306.08881	0.7
307.09573	1.3
309.07471	0.6
313.07474	0.6
319.09778	0.5
320.10379	1.8
321.11252	1.3
323.05551	1.2
323.09171	2.8
331.09665	0.6
333.07602	3.8
335.09116	1.2
337.10587	1.5
337.14304	0.7
347.09454	0.4
348.09943	1.9
349.10751	1.8
351.04385	0.7
351.08621	12.6
353.13849	1.2
353.26736	0.4
363.08627	2.6
363.12427	1.1
365.10178	3.6
366.11014	4.2
373.18063	0.6
377.10406	1.0
378.11130	0.9
379.08185	1.0
381.13354	65.3
382.13663	1.3
385.09235	3.9
386.09637	2.0
393.09531	0.8
394.10544	1.4
409.12842	100.0
410.13116	1.7
427.13730	1.1
449.12387	1.2
457.12726	1.2
577.21997	0.8
585.17529	3.4
595.24225	0.6
613.27472	0.5
631.32336	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05494	1.1
61.38004	0.3
63.70958	0.3
65.03943	0.4
67.05509	2.5
69.07076	2.8
69.27291	1.7
69.27729	1.3
79.05501	2.5
81.03418	0.4
81.07063	3.9
83.08620	0.5
85.23478	0.3
91.05489	4.7
91.06022	0.6
93.07059	2.5
94.76450	0.3
95.01253	0.3
95.04961	0.5
95.08608	2.3
103.05487	0.5
105.07044	9.8
107.04943	1.0
107.08613	2.3
109.06541	0.7
109.10177	2.3
111.00777	0.3
115.05450	0.5
117.07053	1.5
119.04908	0.5
119.08590	11.1
121.06557	0.9
121.10178	1.4
123.08055	0.3
123.11720	1.0
125.02197	0.3
125.05949	0.3
125.09658	0.6
128.06204	0.4
129.06956	0.5
131.04852	0.4
131.08597	1.5
133.10141	2.2
135.08064	0.5
135.11679	1.0
136.05196	0.4
142.07732	0.3
143.08592	0.7
144.05595	0.4
145.06490	0.5
145.10118	1.2
147.04422	0.8
147.08041	0.7
147.11717	1.5
148.05249	0.5
149.02376	1.0
149.09569	0.4
149.13307	0.3
151.03955	0.7
151.07570	2.6
151.11191	0.3
153.05441	0.7
157.10126	0.4
159.08073	0.5
159.11710	0.8
161.02338	0.8
161.06050	0.6
161.13277	0.7
163.03920	0.9
165.01804	0.4
165.05544	0.6
165.06895	0.4
167.03461	0.8
171.08057	0.3
171.11681	0.4
173.06038	1.5
173.13213	0.4
174.06929	0.4
175.03947	0.6
175.07590	0.5
176.04770	0.3
177.05492	0.4
179.07092	2.9
181.04980	0.4
182.10770	0.3
183.04489	0.3
183.08066	0.6
185.06000	0.7
187.03946	0.8
187.07588	1.1
189.05576	0.3
189.16408	0.3
191.03397	0.4
191.07072	3.0
192.04227	0.4
192.07970	0.3
193.04956	1.1
197.06068	0.6
199.07605	0.4
201.16370	0.6
203.07065	3.9
203.18039	0.9
207.06549	8.8
207.08014	0.3
208.07304	5.2
211.07614	0.6
219.06606	0.9
229.08591	0.6
237.09084	0.4
241.08760	0.5
251.07097	0.9
253.08728	1.6
255.06511	0.7
257.08124	0.6
263.10626	0.5
269.08176	0.5
273.09235	0.4
275.07034	0.4
279.06314	0.5
289.08679	0.4
291.06348	0.4
291.10184	0.7
301.08621	0.5
303.10150	0.7
304.10980	0.6
305.07974	0.6
305.11633	0.4
306.09052	0.4
307.05975	1.0
307.09686	1.5
307.12836	0.4
309.14874	0.8
315.10165	0.5
317.08179	0.6
319.09711	0.7
321.07840	0.5
321.11215	2.2
323.12750	0.6
331.09668	1.1
333.11218	0.8
334.12122	0.7
335.09174	8.0
337.14407	0.5
347.12811	2.7
349.10754	2.9
350.11588	2.4
365.13873	100.0
366.14288	1.9
375.19812	0.8
377.09821	0.8
383.14740	1.5
391.18820	0.4
409.12854	5.1
597.28546	0.3
611.45923	0.3
629.30847	4.5
629.39484	0.3
629.47198	0.6
629.56354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.273
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
53.36157	0.5
63.94908	0.4
70.81787	0.4
71.00163	0.6
71.00510	0.9
89.06039	0.6
101.77678	0.5
108.57037	0.4
133.08655	0.5
144.97769	0.5
239.04301	0.5
282.05511	0.5
431.79507	0.5
590.16815	0.5
629.27350	100.0
630.27722	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35178	0.7
81.07064	1.3
86.40268	0.7
87.09076	0.8
89.06042	2.3
92.15614	0.7
110.34662	0.8
133.08658	1.2
219.37100	0.8
531.14142	0.8
629.27405	100.0
630.27649	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36796	0.5
53.03936	1.0
55.05503	1.9
65.03934	0.5
67.05517	3.6
69.07077	4.8
71.56532	0.6
75.04443	0.8
79.05489	3.2
81.07070	7.1
81.93884	0.6
83.08614	0.8
87.04466	0.7
89.06038	11.7
91.05483	6.2
93.07051	5.2
94.54689	0.6
95.04962	1.1
95.08618	5.5
97.10175	0.9
103.05435	0.7
105.07034	13.8
107.04960	1.2
107.08596	4.7
109.06527	1.3
109.10164	4.6
117.07001	2.5
119.08591	13.9
121.06527	1.0
121.10123	3.3
123.11715	2.0
129.07019	1.3
131.08580	1.9
133.08630	7.8
133.10150	4.7
134.08949	0.8
135.08070	0.6
135.11661	1.0
143.08566	1.1
145.06538	0.8
145.10161	3.5
147.04402	0.8
147.08000	0.8
147.11696	4.7
148.05246	0.9
149.02435	1.1
151.03825	0.8
151.07526	2.8
151.11174	0.6
153.05412	0.8
155.08548	0.6
157.10165	0.9
159.08034	0.8
159.11723	1.6
161.06036	0.9
161.09567	0.6
161.13260	1.4
163.03940	1.0
165.01855	1.1
165.05460	1.7
167.03421	1.7
171.07991	0.8
173.05994	1.8
173.09529	0.8
173.13257	0.8
175.03889	1.0
175.14825	0.9
177.05467	0.8
177.11269	2.0
179.07042	2.4
181.04979	1.0
185.05971	1.3
187.03877	0.7
187.07513	1.1
191.07016	2.9
193.04947	0.9
194.26080	0.7
201.16444	0.7
203.07022	5.1
203.17955	6.4
207.06538	8.6
208.07317	3.7
209.09665	0.6
211.07542	0.9
216.18579	0.7
225.09225	0.6
229.08636	0.9
239.18100	0.6
241.08652	0.6
251.07106	1.9
253.08649	1.5
257.07993	0.9
269.08188	1.6
279.06506	0.8
279.10300	1.1
283.09726	0.8
291.10153	0.6
303.10013	0.7
304.10886	0.7
307.06253	1.2
307.09732	2.2
309.14703	1.1
311.49066	0.6
317.08163	0.7
319.09631	1.1
321.07675	0.9
321.11203	2.3
323.12857	0.8
331.09753	1.4
333.11377	1.0
335.09186	7.8
337.14386	1.1
347.12756	2.7
349.10739	3.1
350.11465	3.0
365.13855	100.0
366.14145	1.9
381.13144	0.6
383.14920	1.5
409.12683	5.0
415.25293	1.6
416.25677	0.8
431.25717	1.4
597.28479	0.9
611.46002	0.9
629.30518	2.7
629.45795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.225
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05599	0.6
67.05593	1.1
69.07189	1.3
69.80318	3.0
69.80729	1.5
79.05628	0.9
79.85499	0.7
81.07183	1.6
87.24728	0.7
91.05663	3.0
93.07225	2.3
95.08739	1.3
105.07220	2.9
107.05109	0.7
107.08765	1.7
109.10304	1.7
119.08767	0.9
121.06709	1.2
121.10333	1.0
131.08778	1.6
133.10292	1.1
135.08247	0.8
137.71584	0.7
145.10388	2.1
149.02457	0.9
151.07671	0.8
157.10287	0.9
159.11852	1.5
167.03552	1.6
177.05745	2.7
179.07240	0.9
191.07335	0.9
193.05243	0.7
199.15063	0.8
203.07048	4.9
205.05165	1.7
211.07858	0.8
230.61035	0.7
239.45874	0.7
243.10332	1.0
248.43495	0.8
252.08679	0.7
253.08765	1.4
257.08240	0.8
267.10767	0.7
269.08411	0.8
281.11523	0.7
313.10956	1.5
379.12003	0.8
396.12402	1.5
397.13290	2.8
398.14078	1.4
399.14499	0.8
405.20767	1.0
409.13263	0.9
410.14032	2.9
411.14630	6.4
412.15268	5.0
413.16272	4.4
423.14810	2.2
424.15942	2.2
425.16513	13.2
426.17078	7.6
427.17798	1.9
428.18466	4.4
429.19479	1.1
438.13489	3.5
439.13602	17.2
440.19241	6.2
441.19333	37.7
442.19867	1.9
451.13281	1.0
452.14438	4.2
453.15326	22.7
454.16046	5.5
455.21292	0.8
456.17911	1.6
466.12854	0.7
467.17249	23.7
467.23337	1.2
468.17978	18.6
468.24167	1.3
469.18896	9.7
470.19183	0.9
471.16574	1.7
472.17587	1.3
481.14648	9.7
482.15317	1.4
483.16580	1.0
484.21188	2.7
485.18604	2.7
495.16913	1.4
495.20145	1.2
496.17209	9.6
497.18460	1.3
498.18976	1.4
499.20215	1.1
500.20868	4.6
509.18234	2.0
512.20416	2.3
513.21918	4.0
523.20258	1.7
528.20276	0.9
537.17395	0.9
541.20898	42.4
542.21606	1.7
553.20880	1.1
569.20361	100.0
570.20306	3.7
573.23584	2.5
597.19824	26.5
598.20068	0.9
600.22015	1.7
601.23029	11.0
629.22308	60.0
630.22430	3.1
650.80054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01873	1.4
57.03430	0.7
60.40308	0.3
61.02934	0.4
65.03938	1.7
67.05502	0.4
68.99779	0.7
69.03120	0.3
69.03434	3.0
69.69592	1.4
71.04982	0.5
73.02914	0.8
77.03965	0.3
79.05477	0.9
81.03421	3.3
81.07070	0.7
85.02908	6.3
87.00840	2.5
91.05490	1.4
93.03398	2.4
93.07036	0.4
95.01332	0.3
95.08624	0.4
97.02888	2.5
97.06541	0.6
98.20731	0.3
99.04469	1.3
105.01883	1.3
105.07021	0.6
107.04956	0.8
108.02106	0.4
109.02878	2.7
109.06522	0.6
110.03635	0.3
111.04428	1.2
116.08775	0.3
117.01914	0.3
117.06985	0.3
119.04958	3.0
119.08584	0.6
121.02898	1.9
121.06519	1.4
123.04443	0.5
125.00529	0.2
125.06020	1.2
127.03938	4.2
129.07027	0.8
131.04926	0.6
131.08585	0.4
133.02859	7.2
133.06465	0.3
135.04388	0.6
137.05965	1.5
141.05478	0.9
142.07744	0.5
143.08571	0.8
145.04961	1.5
147.04422	5.3
147.08041	2.9
149.02371	0.8
149.05963	1.2
151.04015	0.4
151.05032	1.4
152.06253	0.4
152.94254	0.3
153.05475	9.3
153.06738	0.5
157.06490	0.3
157.10078	0.3
159.02904	1.4
159.04417	1.2
159.08035	0.3
160.05214	0.2
161.02338	2.3
161.05998	1.4
161.09598	0.3
162.03090	0.6
163.03908	3.7
165.05482	8.2
167.03442	0.7
167.07036	0.4
167.08577	0.3
169.05121	0.3
169.06531	0.7
170.07275	1.2
171.04405	0.4
171.08067	1.1
173.05960	0.4
175.03941	0.6
175.07526	1.3
177.05484	14.8
178.06267	14.0
179.03465	0.3
179.06989	1.2
181.04959	0.4
185.06091	1.4
185.07437	0.3
185.09584	0.5
187.03899	0.3
187.07515	0.3
189.09108	5.3
195.08073	7.5
195.09770	0.4
198.06763	4.8
199.07581	0.4
203.07047	16.4
205.04973	0.9
206.05840	0.5
207.74049	0.3
211.07497	0.5
213.09120	29.4
215.07082	0.3
215.10747	0.3
217.08646	0.4
223.07617	0.9
229.08580	0.4
231.05037	0.4
241.08632	4.9
245.08066	0.3
248.08537	0.3
283.05984	0.6
313.07318	0.5
315.05011	0.3
321.11200	0.4
335.12717	0.3
343.57162	0.3
349.10556	0.5
353.13882	2.1
363.12198	0.6
381.13345	100.0
382.13684	1.6
405.13419	0.7
423.14392	0.8
447.13840	0.4
489.16077	0.3
557.05756	0.2
629.12994	0.8
629.30768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01856	1.5
56.99615	0.4
57.03418	0.5
65.03938	1.9
67.05497	0.6
68.61803	0.4
68.99778	1.0
69.03433	3.3
69.07058	0.6
69.38066	0.4
71.01299	0.5
71.04993	0.6
71.58362	0.4
73.02886	0.6
79.05479	0.7
81.03413	3.4
81.07053	1.1
83.04970	0.5
85.02910	6.3
87.00831	2.5
87.15707	0.5
91.05483	2.4
92.18098	0.5
93.03403	1.7
93.07024	1.0
97.02898	3.4
99.04430	1.4
103.05464	0.9
105.01845	1.5
105.03387	0.5
105.06997	0.8
107.04951	0.6
107.08611	0.7
109.02881	2.9
109.06520	0.6
109.10150	0.6
111.04434	2.2
115.05441	0.6
116.47900	0.4
117.01843	0.4
117.07029	0.4
119.04143	0.7
119.04919	3.8
119.08571	1.3
121.02866	1.9
121.06518	1.3
125.05973	2.0
127.03934	3.7
128.06229	0.7
129.07021	0.7
133.02853	7.8
133.10092	0.6
135.04364	0.9
137.05998	1.7
141.05521	0.6
145.04930	1.4
145.10150	0.5
147.04393	5.7
147.08029	3.7
147.11696	0.5
149.02373	1.6
149.05978	1.8
151.03883	0.9
151.05023	1.8
153.04309	0.6
153.05479	9.6
157.06516	0.5
159.02916	1.6
159.04422	1.3
161.02335	2.3
161.05980	1.8
161.09673	0.7
162.03098	0.5
163.03886	3.3
165.05496	7.5
167.03442	0.6
167.07130	0.9
167.08488	0.6
169.06540	0.5
169.10132	0.5
170.07271	0.9
171.08043	0.9
173.06013	0.9
175.03900	1.1
175.07552	1.2
177.05475	14.0
178.06265	14.7
179.07034	1.3
181.04956	0.6
185.05949	1.3
185.09624	0.7
187.03920	0.7
189.09114	5.8
195.08061	8.2
198.06776	4.7
199.07474	0.8
203.07036	15.8
205.04984	0.5
206.05717	0.5
213.05656	1.0
213.09109	27.0
226.06328	0.5
241.08551	4.5
283.05917	0.9
301.07169	1.0
307.09409	1.6
308.09665	1.4
309.09903	1.1
313.07019	0.7
329.06473	0.6
339.08572	0.7
349.10712	0.7
353.13797	2.4
363.12253	0.7
379.15079	1.6
380.15588	3.0
381.13290	100.0
382.13593	1.6
405.13367	0.6
423.14969	0.8
497.66595	0.5
500.80792	0.5
512.04535	0.5
585.21637	1.2
585.30688	0.6
597.22253	0.6
611.11481	0.5
629.12415	1.2
629.20764	3.3
629.30450	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	629.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02584	0.8
53.03939	1.3
55.05509	0.9
57.03430	0.8
65.03935	2.0
67.05503	0.9
69.03430	4.0
71.27087	1.5
73.02942	1.1
79.05479	1.3
81.03401	2.9
81.07040	2.0
82.54749	0.8
85.02920	7.1
87.00825	2.9
87.22416	0.9
91.05494	1.8
91.29388	0.8
92.13157	0.8
93.03412	2.3
95.04958	0.8
95.08602	1.3
97.02904	3.6
99.04424	1.4
103.45153	0.8
105.01863	1.3
105.07023	1.2
109.02871	2.8
109.06512	1.3
109.10124	1.3
111.04462	1.1
117.23750	0.8
119.04929	3.7
119.08585	1.3
121.02895	1.9
121.06486	2.4
123.04430	1.6
125.05968	1.5
127.03916	3.7
133.02858	10.5
135.04466	1.1
137.05959	2.5
140.94173	0.9
145.04883	2.0
147.04424	6.0
147.08099	1.0
149.02354	2.6
149.05994	2.0
151.03896	1.1
151.05017	1.7
153.05467	7.1
157.09924	1.0
159.02881	1.3
159.04305	1.0
161.05995	1.7
163.03928	5.0
165.05489	11.2
167.03470	0.9
167.07150	1.0
171.08043	0.9
177.05495	13.7
178.06265	15.2
189.09145	4.8
190.02922	0.9
191.06972	2.8
195.08078	6.4
198.06773	4.7
203.07056	17.5
213.09119	35.9
231.06638	1.0
241.08577	5.4
259.06213	1.3
271.06100	1.2
285.07632	3.4
287.05560	3.7
299.09039	1.0
300.02826	1.3
301.07303	0.9
313.07205	1.3
315.04980	3.5
353.13727	2.2
381.13361	100.0
382.13867	1.3
423.14191	1.2
578.43671	1.0
611.12012	1.1
629.12891	7.0
629.29114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
53.92955	2.9
55.01855	3.2
55.05513	24.7
57.03437	22.5
57.07081	4.2
59.17402	2.7
61.74726	2.5
65.03953	3.7
67.05169	3.6
67.05509	58.5
69.03431	3.0
69.07064	15.8
71.04991	4.0
79.00503	2.3
79.05497	50.6
81.02972	5.3
81.03423	71.1
81.07063	60.4
83.04971	7.7
83.08625	22.7
85.06558	6.1
91.05490	53.2
93.07050	60.9
95.04991	24.0
95.08621	35.9
97.06529	8.4
97.10161	8.0
98.21496	7.3
105.07040	48.5
105.47622	2.6
107.04970	10.3
107.08601	40.1
109.06504	8.0
109.10163	22.2
111.08064	8.5
115.05408	3.5
115.86890	2.5
117.07021	18.7
119.08591	35.7
121.06492	4.1
121.10130	23.1
123.08083	6.7
123.11681	4.4
125.09613	7.8
129.07025	12.8
131.08572	27.9
133.10124	25.3
135.08028	5.1
135.11742	14.4
137.09587	2.9
142.07779	4.8
143.08568	6.3
145.10167	19.2
147.08139	5.0
147.11690	18.1
149.02251	4.0
149.09615	9.4
149.13242	7.4
154.04315	3.6
157.10115	13.2
157.32269	2.7
159.11713	11.0
161.13281	8.6
163.11131	3.7
165.12755	5.4
167.03487	4.0
169.10101	6.0
171.11740	7.3
173.09637	4.1
173.13231	5.3
175.11223	7.5
175.14853	3.7
181.10214	3.2
185.13297	5.5
187.14821	8.0
189.11272	3.1
192.07828	3.3
193.12221	20.6
195.06416	5.7
199.14716	4.6
203.07115	7.0
205.15784	4.3
212.00824	2.8
227.12872	6.9
241.19496	4.2
259.20575	16.7
267.15933	100.0
277.21622	17.3
333.24197	8.2
342.35651	2.9
351.25269	39.6
433.30725	4.4
451.32480	3.2
453.61752	3.1
503.33621	3.5
525.35779	7.9
543.36823	45.1
610.46191	4.9
628.30383	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.1
54.34508	2.4
55.01877	12.0
55.05513	33.2
57.03437	30.0
57.07074	5.2
57.47208	2.3
65.03923	3.3
67.05508	95.6
69.03426	5.8
69.07066	37.9
69.21782	27.1
71.04982	7.0
77.03915	3.1
79.05053	4.6
79.05498	74.3
81.03423	4.3
81.07064	100.0
83.04980	8.2
83.08628	20.4
85.06553	8.6
91.05486	84.8
93.07054	85.6
95.04977	12.4
95.08614	80.3
97.06548	15.9
97.10175	9.4
99.08084	15.2
103.05486	2.8
105.04542	3.0
105.07036	85.6
107.04961	11.6
107.08596	58.8
107.09286	4.3
109.06526	12.3
109.10150	47.5
109.10829	4.1
111.08096	4.7
113.09638	4.4
115.05477	3.9
117.07024	35.0
119.08585	64.5
121.06529	7.5
121.10144	38.4
123.08072	3.2
123.11722	10.6
125.09629	8.6
127.11193	2.6
128.06227	4.7
129.07019	19.8
130.07748	4.4
131.08578	51.2
132.74179	2.2
133.10135	47.2
133.11082	4.3
135.08041	6.6
135.11716	16.3
137.09724	2.9
137.13252	3.0
139.11179	3.9
141.07001	7.4
142.07813	5.3
143.08580	25.6
145.10136	48.1
147.04388	2.7
147.07988	5.7
147.11691	30.0
149.02374	3.7
149.09602	14.6
149.13293	11.1
151.03944	3.1
151.11182	4.5
155.08563	15.9
156.09352	4.1
157.10127	30.7
159.11702	38.0
161.09642	3.2
161.13277	18.1
163.03944	2.9
163.11195	8.8
163.14868	4.1
165.01907	4.3
165.12820	2.9
167.03441	5.2
167.08617	8.3
168.09378	2.8
169.10162	19.7
171.11694	24.8
173.09668	3.3
173.13284	24.7
175.11206	3.6
175.14824	13.1
177.12790	4.5
177.16428	3.0
179.08569	4.6
181.10152	10.0
183.11737	15.8
185.05952	2.7
185.13283	27.2
187.07735	3.4
187.14842	11.9
189.12791	3.2
189.16380	3.3
191.14404	5.5
195.11790	7.9
197.05966	5.1
197.13310	9.6
199.14880	11.3
201.12740	2.9
201.16411	12.6
203.07080	8.3
203.14415	8.1
203.18007	4.7
207.11702	4.8
209.13347	6.7
211.07506	2.9
211.14957	7.8
213.16414	6.4
215.17896	3.0
217.15891	4.3
219.17502	19.4
223.07469	3.0
223.14926	3.8
225.16510	5.7
227.18013	4.2
229.19514	3.0
231.17287	2.5
235.07680	3.6
235.14882	4.9
237.16591	2.9
238.51350	2.9
239.17992	7.9
241.08542	2.7
241.19501	3.1
247.20689	3.2
251.07059	39.7
253.08757	6.3
257.18954	11.7
259.20685	8.9
261.22336	4.9
265.19641	3.3
269.08148	12.4
273.18655	3.2
275.20117	55.0
275.23132	3.3
277.21622	5.7
279.06403	6.6
293.21219	4.3
309.11508	3.1
315.22961	3.9
333.24234	5.0
335.25861	36.1
349.23730	19.6
351.25732	3.8
365.13992	7.1
373.18289	4.1
375.19678	10.5
391.19064	4.5
433.12839	5.8
463.36005	3.1
469.24033	3.3
517.40533	10.6
535.41394	13.6
553.42505	7.2
555.40515	34.3
591.44629	4.5
609.36548	3.3
609.45093	66.6
627.28381	9.8
627.37457	7.2
627.46191	92.4
633.81946	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	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
55.01862	6.8
55.05519	36.1
57.03443	25.8
57.07071	5.2
65.03939	6.6
65.46855	2.2
67.05510	85.4
69.03404	2.7
69.07072	36.8
71.05005	13.0
71.08659	2.0
79.05499	75.3
79.05963	4.1
81.07063	100.0
83.04988	8.7
83.08627	19.6
85.06546	8.0
91.05492	72.9
91.83475	2.0
93.07054	85.6
95.04983	10.6
95.08613	81.2
97.06528	10.7
97.10181	7.6
99.08083	8.9
99.08677	1.9
105.04549	4.5
105.07040	81.2
107.04972	7.3
107.08607	59.7
109.06526	8.7
109.10156	37.5
111.08098	6.0
113.09667	4.7
115.05479	3.8
116.06243	3.4
117.07024	35.7
119.08599	65.1
119.09452	3.7
121.06530	3.3
121.10161	39.2
123.08060	5.1
123.11745	9.8
125.09657	8.2
128.06213	3.6
129.07021	19.6
131.08580	51.5
131.35316	2.3
133.10135	42.3
135.08084	7.0
135.11720	22.5
137.09651	5.9
139.11223	2.6
141.07025	7.2
142.07814	3.9
143.08588	24.2
145.10139	50.9
147.08113	2.7
147.11699	29.9
149.09662	9.8
149.13260	14.1
151.03896	2.6
155.08604	12.9
156.09357	2.5
157.10138	25.4
159.08174	2.3
159.11707	37.3
161.09608	4.3
161.13275	14.0
163.11215	6.5
163.14857	5.0
165.12735	2.5
167.08577	2.8
169.10167	15.8
170.10649	2.3
171.11702	19.5
173.13287	17.9
175.11188	3.2
175.14897	7.4
179.08617	2.4
181.10239	7.8
183.11688	15.2
185.13307	21.6
187.11307	2.5
187.13406	2.5
187.14821	13.9
189.12801	2.4
193.10179	4.0
195.11787	5.1
197.13264	12.6
199.14917	8.2
201.14795	2.0
201.16377	10.6
203.07051	2.7
203.14426	5.9
203.17992	4.2
205.15921	9.2
207.11873	2.3
209.13307	8.7
211.14883	9.3
213.16455	6.0
217.15930	2.6
219.17445	16.2
219.26276	2.3
221.13470	2.7
223.14883	6.2
225.16454	5.2
227.18056	3.9
229.19629	3.4
229.59416	2.1
231.17519	2.6
235.14975	2.1
237.16379	4.7
239.17996	6.4
241.19620	3.2
245.19133	2.3
247.20364	2.1
249.16351	3.3
251.17992	2.2
253.19629	2.6
257.08170	4.4
257.19189	11.6
259.20633	8.3
261.22232	4.9
267.10229	3.4
270.22882	2.8
273.18607	2.5
275.20068	40.9
277.21658	5.1
283.20682	3.9
291.09848	2.1
293.21149	4.2
311.23526	2.6
315.23245	3.0
319.75717	2.2
331.22845	3.7
333.24387	6.7
335.25888	40.5
339.26807	3.2
349.23669	16.9
351.25424	3.7
355.01117	2.4
399.24823	2.9
462.25803	2.2
463.35745	5.1
481.36703	2.3
487.34668	2.8
515.37335	3.6
517.40277	7.4
535.41626	11.6
537.39276	2.9
541.39081	3.8
543.40118	2.6
553.42529	6.1
555.40454	30.4
564.93109	2.0
569.42151	2.6
591.43671	3.5
609.45209	58.2
610.45673	2.9
627.46185	68.8
630.00806	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.0
55.01867	9.8
55.05514	35.0
55.45869	2.4
57.03440	29.9
57.07076	4.9
65.03944	3.8
67.05508	96.0
69.03442	4.0
69.07070	46.3
69.50993	18.6
70.42068	2.4
71.04992	6.3
76.70900	2.4
79.05495	76.7
81.07059	100.0
83.04976	6.9
83.08636	16.6
85.06554	8.7
91.05481	74.7
93.07048	84.7
95.04974	12.1
95.08611	76.8
97.06004	2.5
97.06518	16.3
97.10181	8.9
99.08087	16.7
103.05436	4.1
105.07034	92.7
105.83054	2.5
107.04974	7.7
107.08596	55.7
109.06544	13.9
109.10161	41.3
111.08090	3.9
113.09671	6.3
115.05509	3.7
117.07014	27.6
119.04941	2.6
119.08584	65.4
121.06612	5.7
121.10142	44.2
123.08103	8.4
123.11733	13.6
125.09650	6.0
128.06206	5.7
129.06972	20.0
130.07805	3.2
131.08566	57.6
131.09488	3.1
133.10127	46.2
134.56302	2.4
135.08119	6.5
135.11700	24.9
137.09622	5.6
139.11224	4.4
141.07018	5.8
142.07806	5.9
143.08585	28.9
145.03073	2.9
145.10127	55.2
147.11693	29.4
149.09598	12.5
149.13292	11.8
151.03946	4.1
151.07555	3.2
151.11269	6.8
155.08533	13.5
156.09366	3.4
157.10110	23.4
158.10899	3.5
159.11691	40.9
161.12154	2.5
161.13246	15.9
163.11131	5.8
163.14857	5.0
165.01845	4.2
165.07082	2.8
165.12894	3.0
167.03534	3.0
167.08597	4.6
169.10114	16.6
171.11682	19.8
173.09697	3.3
173.13235	18.6
175.11191	3.9
175.14880	10.0
177.12778	4.3
177.16438	3.2
179.08656	2.9
181.10170	7.7
183.11716	19.8
185.13269	24.2
187.11185	3.6
187.14912	11.6
189.12863	3.2
189.16403	3.7
195.11810	9.0
197.13281	12.4
199.14774	13.7
201.16463	10.4
203.07100	5.0
203.14383	8.9
203.17966	4.2
205.16014	5.2
207.11839	2.4
209.13249	4.2
211.14874	8.7
213.16444	8.1
215.17938	3.1
219.17415	16.6
223.14832	6.5
223.26294	2.6
225.16554	3.7
227.17960	6.3
229.08698	3.4
229.15840	2.9
235.20645	3.5
237.16516	3.9
239.18024	6.5
241.19633	8.2
251.07060	4.0
251.17949	2.8
253.08556	2.8
255.21051	3.0
257.19138	7.6
259.20712	9.4
261.22366	7.3
267.10397	3.8
269.08035	4.3
275.20053	48.4
277.18143	3.7
277.21609	4.3
285.22086	2.6
297.22232	3.7
333.24438	7.7
335.25864	35.7
349.23746	21.0
351.25439	2.8
391.19110	4.5
481.36499	3.7
517.40533	9.2
535.41132	12.0
537.39313	3.9
553.42694	6.4
555.40509	33.8
567.66693	2.8
609.45093	65.3
627.29175	8.3
627.36719	5.8
627.46246	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.5
55.01870	8.7
55.05518	30.9
57.03436	21.3
57.07092	5.2
65.03943	3.6
67.05511	77.7
69.03445	5.0
69.07072	24.9
69.22342	23.7
71.05009	4.5
71.08640	3.1
79.05050	4.6
79.05498	66.8
81.03419	4.6
81.07064	71.3
83.04971	6.9
83.08638	14.7
85.06557	4.4
91.04901	2.6
91.05480	64.0
93.07049	64.6
95.04963	9.5
95.08038	4.9
95.08611	55.6
97.06541	13.2
97.10178	8.5
99.08109	9.6
104.92788	2.2
105.04492	2.4
105.07039	57.7
107.04951	12.3
107.08603	38.4
109.06536	8.6
109.10159	29.8
111.08057	3.8
113.09675	3.2
115.05428	2.4
117.07033	23.2
119.08588	54.3
121.06516	3.4
121.10137	30.3
123.08083	3.8
123.11735	10.2
125.09652	5.8
126.09138	2.6
128.06258	4.7
129.07019	12.7
130.07745	2.8
131.04950	2.3
131.08580	35.4
133.10146	35.6
135.08104	5.4
135.11716	16.8
137.09660	3.0
137.13249	3.4
141.06979	4.4
142.07800	5.3
143.08571	18.4
145.10132	47.3
147.11708	23.5
147.97810	2.5
149.02293	2.7
149.09633	8.5
149.13248	8.9
151.03964	2.4
151.07506	3.1
151.11218	3.6
155.08553	8.3
157.10172	15.8
159.11705	24.0
161.09663	3.0
161.13272	6.9
163.11192	7.1
165.06992	3.3
169.10158	7.5
171.10425	2.6
171.11687	13.8
173.13268	20.7
175.14813	5.3
179.08563	2.4
181.10165	6.0
183.11720	11.2
185.13261	19.4
187.14774	10.6
189.16478	3.4
195.11699	6.2
197.05972	3.3
197.13268	8.3
199.14876	8.6
201.16463	6.5
203.07051	5.9
203.14436	3.5
204.12314	2.9
207.06537	3.3
209.13275	3.8
211.14815	4.2
213.16470	4.9
219.17523	12.8
225.16441	4.1
227.12643	2.9
229.19527	4.1
237.09018	2.6
239.17856	3.7
251.07085	42.5
253.08632	5.3
257.19019	8.5
258.03253	2.7
259.20758	3.8
261.22256	5.0
267.16061	3.2
269.08133	8.9
275.20090	41.2
283.09555	2.3
293.21277	3.5
307.09741	2.9
307.22797	2.3
321.10947	3.1
331.22513	3.1
333.24359	4.2
335.09232	6.2
335.25839	39.5
347.12885	3.4
349.10449	2.4
349.23853	16.6
350.11523	2.5
365.13895	100.0
366.14432	3.5
373.17896	3.7
375.19507	7.7
391.19196	2.6
409.12769	8.1
515.36786	2.3
517.40082	6.7
535.41522	7.5
553.42407	3.0
555.40674	21.3
591.43939	2.8
609.36151	4.8
609.45129	51.9
627.30725	11.0
627.46472	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50465	0.4
55.05521	0.3
56.96574	21.7
67.05524	0.6
69.24435	3.1
69.24856	0.8
71.95277	3.6
72.96043	1.6
74.97625	0.4
79.05492	0.6
81.07059	0.9
84.96032	1.3
91.05487	1.2
93.07066	0.7
95.08607	0.8
97.96831	1.2
98.97577	0.6
105.00156	0.9
105.07034	1.0
107.08540	0.4
109.10161	0.4
110.97560	3.1
115.00711	0.4
119.08604	0.6
121.10123	0.4
123.01228	1.0
124.99142	0.4
127.00706	0.5
128.98642	3.0
129.02249	1.4
133.10130	0.5
137.02742	1.2
141.02252	0.6
143.00163	0.7
145.10149	0.8
146.99661	0.9
147.03305	1.1
151.00720	0.5
151.04225	0.7
155.03783	0.8
157.01770	0.4
159.03307	0.7
161.01233	0.6
161.04842	0.5
167.03670	0.4
167.56061	0.4
169.05444	0.4
171.03310	0.9
173.04979	0.4
175.02748	0.5
177.05511	0.5
181.05299	0.8
183.03279	0.5
183.06985	0.5
185.04803	0.7
187.06442	1.1
189.04327	0.6
191.07344	0.5
195.06956	0.8
199.06450	1.0
201.07892	0.6
203.05820	0.6
207.06671	0.6
213.07973	0.7
217.07376	0.6
227.09589	1.1
231.08990	0.6
235.09938	0.4
239.09554	2.4
241.11099	1.4
245.10701	1.4
249.11717	0.7
253.11147	1.7
257.10587	1.4
259.12311	0.8
261.11752	1.0
263.09534	0.8
263.13312	0.9
265.11078	0.4
267.12683	1.5
273.11597	0.5
275.13153	3.4
277.10925	0.8
279.12723	8.4
281.14285	3.3
289.11224	0.4
291.12695	4.0
293.14273	8.7
295.12210	0.5
297.10599	0.7
297.13770	9.5
303.16330	1.0
305.18027	0.4
307.15820	0.4
309.13736	1.9
311.15417	1.3
313.10681	0.9
315.16339	3.1
316.15787	1.1
320.15363	0.6
321.17322	1.4
333.17401	100.0
334.17722	1.5
336.18454	0.4
351.18466	29.1
365.13763	2.9
369.19598	1.0
374.20047	9.6
549.24780	0.5
567.25940	1.1
595.25720	0.4
627.28625	0.6
627.38727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96520	15.8
56.96835	1.0
62.64836	0.2
67.05465	0.3
69.76421	1.6
71.95273	2.7
72.96007	0.6
74.97558	0.9
76.74304	0.3
79.05446	0.5
81.07014	0.7
84.96031	1.4
91.05447	1.0
95.04929	0.3
95.08575	0.3
97.16138	0.2
97.96774	1.4
98.21429	0.3
98.97543	1.0
105.07050	0.6
105.79573	0.2
109.10075	0.4
110.97579	5.9
110.98302	0.4
114.49399	0.3
115.97803	0.7
116.98592	0.4
119.08510	0.2
121.10139	0.5
122.93803	0.3
123.01143	0.6
124.99134	0.4
127.00666	0.6
128.98618	6.9
131.00151	0.5
131.08525	0.3
133.10060	0.5
137.02708	0.9
143.00110	1.1
145.01759	0.3
145.10077	0.6
145.25108	0.3
146.99666	5.2
147.03249	0.4
151.00629	0.3
151.03912	0.6
152.00125	0.6
155.03773	0.3
157.01733	0.4
161.01210	1.7
161.04831	0.4
165.00647	0.6
167.03484	0.3
169.01721	0.6
171.03294	1.4
175.02774	0.5
176.03235	0.3
177.05583	0.3
181.05344	0.3
183.03314	0.4
185.04819	1.1
189.04318	1.1
190.04959	0.4
197.04842	0.3
203.05881	0.8
205.04997	0.3
205.07347	0.3
207.06938	0.4
209.08421	0.5
217.07324	0.3
221.04871	0.3
225.07893	0.6
227.09637	0.6
235.06480	0.4
241.11058	1.2
245.08366	0.6
245.10587	0.7
252.10414	0.4
259.12140	0.9
263.09576	2.1
264.10294	0.7
265.11154	0.8
270.11227	0.3
277.11111	1.1
281.10577	0.6
283.12338	0.4
289.11218	0.6
303.12784	2.3
313.11111	0.5
313.14771	0.8
315.16321	47.7
316.16489	0.7
317.14462	0.5
321.14230	0.4
331.15900	2.0
333.17389	100.0
334.17731	1.0
347.18951	0.4
351.18460	18.1
356.19006	9.8
374.20004	3.5
427.69070	0.3
511.25699	0.3
591.37549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	0.4
56.96464	11.6
56.96780	3.8
67.05391	1.1
67.05708	0.4
71.18412	0.6
71.95145	2.5
71.95576	0.6
72.67092	0.3
72.95959	0.7
74.97523	0.9
75.95283	0.3
79.05386	0.9
81.06966	0.8
84.95913	1.7
91.05346	1.6
93.06900	1.4
95.04851	0.3
95.08531	0.7
97.96795	1.8
97.97250	0.5
98.97475	1.0
105.00053	0.4
105.06908	1.0
107.08448	1.1
109.10013	0.6
110.97569	7.6
110.98255	0.4
112.99046	0.5
115.97723	1.1
116.98501	0.4
117.06908	0.5
119.08444	1.2
121.10062	0.6
128.98621	9.1
131.00066	0.5
133.10037	0.7
133.98828	0.5
137.02614	0.7
143.00040	1.6
143.08545	0.4
145.10034	0.7
146.99661	5.5
147.11551	0.5
151.03949	0.5
152.00049	1.1
155.03717	0.6
157.10170	0.4
159.11566	0.5
161.01218	2.3
161.04727	0.4
163.04085	0.4
165.00580	0.5
170.00967	0.4
171.03142	1.3
173.13249	0.5
175.02640	1.2
179.02248	0.6
183.03151	0.5
185.04697	1.1
189.04163	1.1
190.05022	0.6
195.06975	0.4
197.04704	0.5
199.06320	0.4
199.14798	0.4
203.05708	0.7
205.07272	0.5
209.04768	0.6
221.04651	0.5
227.09515	0.7
239.09717	0.4
241.11021	1.8
245.08406	0.7
245.10701	0.5
249.08038	0.6
252.10251	1.4
255.12517	0.4
259.12076	1.0
263.09579	3.5
264.10370	0.7
265.11069	0.5
270.11261	0.7
277.11096	1.3
281.10495	0.9
282.11423	0.4
285.11978	0.5
286.11017	0.4
289.11182	0.7
303.12762	2.1
313.10605	0.6
313.14734	1.2
315.16302	49.4
316.16684	0.6
317.14273	0.5
321.14059	0.6
331.15674	2.6
333.17377	100.0
334.17786	1.6
351.18436	41.6
352.18909	0.6
356.18976	10.3
369.19589	0.9
374.20023	5.2
410.84305	0.4
591.37524	1.0
627.27051	0.4
627.37494	0.5
627.46863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.8
53.32939	3.2
55.01875	7.7
55.05509	14.6
55.61308	3.1
57.03451	6.3
57.07073	9.2
58.06632	4.3
63.80856	3.4
63.81271	3.4
67.05511	30.3
69.03439	21.7
69.07073	37.0
70.06609	4.8
70.83456	7.1
70.83847	6.5
71.29794	3.2
76.08853	3.3
79.05499	15.0
81.03429	10.7
81.07062	81.5
81.19253	3.2
83.05003	4.1
83.08619	10.8
85.02911	39.2
85.06550	100.0
87.00841	16.1
91.05489	12.5
93.07045	42.3
95.08614	58.8
97.02917	14.1
97.06519	6.3
97.10187	4.7
99.04436	6.0
99.08092	19.6
105.01852	6.4
105.07037	15.9
107.08601	45.0
109.02894	13.5
109.10164	47.2
111.08063	17.5
111.11726	8.9
113.09658	11.2
119.08592	23.0
121.10145	36.2
123.11728	22.4
125.09594	17.8
126.32413	3.6
127.03951	25.5
133.10127	14.7
135.11703	32.4
137.13295	12.7
139.11182	17.7
143.10631	5.0
145.04990	5.4
145.10120	6.9
147.11710	11.4
149.13243	24.0
150.61517	4.4
151.11160	4.8
153.12793	13.2
157.12285	17.8
159.02872	5.5
159.11707	7.9
161.13306	13.8
163.14851	14.0
167.14345	7.4
175.14859	12.9
177.16382	7.8
179.14278	5.1
189.16434	6.5
191.18007	9.5
193.15863	9.3
203.17892	5.1
209.71420	3.5
211.16940	35.6
221.18875	4.5
229.17950	22.1
231.04829	4.3
265.31137	3.8
271.24133	8.2
277.25464	9.7
289.25296	23.3
295.26382	30.8
307.26321	53.8
313.27295	13.7
325.27463	61.1
343.28549	33.3
429.11264	3.8
644.03333	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	627.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.1
55.01867	11.8
55.05506	15.4
57.07071	6.8
61.02917	4.9
63.99406	3.4
67.05498	15.7
69.03439	26.4
69.06720	4.7
69.07073	78.2
70.06589	3.8
71.04986	6.6
71.58455	6.3
73.02925	4.1
73.11921	3.7
79.05484	17.3
81.03436	24.5
81.07065	58.9
83.04967	4.9
83.08633	7.9
85.02907	48.6
85.06540	37.6
87.00824	16.9
91.05480	9.9
93.07047	25.1
95.04970	7.8
95.08615	63.8
97.02896	19.8
97.06524	12.2
97.10143	4.7
99.04446	10.6
99.08094	13.2
101.06020	8.3
105.01863	10.2
105.07059	17.0
106.71967	3.5
107.08617	26.9
109.02873	25.2
109.10188	22.8
111.08089	47.1
111.11726	21.4
117.71675	3.4
119.08598	13.9
121.10175	21.8
121.10911	3.5
123.11747	17.0
125.09638	14.3
127.03935	31.8
131.08594	5.8
133.10146	7.6
135.11681	22.8
137.05931	4.4
137.13205	4.0
139.11226	23.0
145.04993	14.0
145.10152	5.2
147.11702	9.4
149.13229	12.8
151.11223	7.4
151.14850	12.1
153.12721	7.6
157.12253	14.4
159.02873	8.4
159.11693	8.7
161.13171	7.1
163.14859	5.4
165.12738	8.7
167.07059	3.9
169.16000	3.6
171.13861	6.8
177.16310	3.9
187.14883	5.2
195.17354	3.7
209.19011	5.9
231.04987	6.7
289.25244	28.6
307.26328	42.3
325.27380	100.0
343.28326	6.9
550.14362	4.4
555.31946	7.0
627.21594	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	627.2816
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
64.12447	0.7
67.05505	2.0
69.06259	0.7
69.07044	1.0
70.08774	3.5
72.66048	0.7
75.26703	0.7
79.05501	1.7
81.07030	1.1
91.05494	2.3
93.05828	0.8
93.07016	1.0
105.07027	1.2
111.63737	0.8
119.08610	1.4
136.07599	1.6
138.09224	1.3
151.03902	0.8
157.10179	1.2
160.07545	0.8
174.09180	6.1
183.85092	0.7
187.12262	3.9
188.10751	1.6
197.10783	1.4
199.12250	0.9
203.07068	1.1
211.08690	1.7
212.09416	1.8
215.11847	2.4
225.10303	3.3
226.11079	0.8
227.11830	3.3
235.08713	0.8
236.09546	0.9
237.10199	1.1
239.08215	0.9
239.11845	2.8
241.13463	3.6
243.11317	21.8
249.10379	1.1
251.11972	1.6
252.08728	0.9
252.12500	0.9
253.09805	1.3
265.09860	1.0
267.11337	7.1
269.12979	2.4
277.09830	1.9
285.12466	2.6
295.10925	3.9
299.13968	1.4
300.11642	0.9
301.15521	2.9
309.12466	2.3
314.13062	1.5
315.13821	1.0
316.14645	1.4
317.11618	1.1
319.10983	1.0
325.12143	1.2
325.15488	6.7
326.12952	1.0
327.13513	6.6
328.10803	1.7
328.14532	1.7
329.12021	1.4
330.12531	2.5
330.16116	1.0
331.13455	1.3
334.15503	1.4
342.12442	2.5
343.13361	3.3
344.13916	4.5
345.14786	1.1
346.15601	1.9
348.13644	2.0
354.12497	1.3
356.13913	4.2
357.14890	2.1
358.15631	3.1
360.17239	1.3
370.15604	2.6
371.16473	1.0
372.17233	3.4
374.15320	1.2
384.17517	0.9
386.14685	1.3
386.18896	2.1
398.14896	1.0
400.16568	2.2
412.16876	1.0
416.16238	1.4
418.17908	1.8
420.16782	1.1
421.16785	1.5
423.18704	1.0
430.17599	1.0
431.18448	0.9
432.19476	4.1
435.14246	1.0
437.19922	2.1
446.20691	1.5
447.21973	2.6
449.15646	1.7
450.16983	2.2
451.17181	1.3
458.17465	1.2
460.18512	1.2
461.23434	2.4
462.24677	1.9
463.21402	3.0
465.18845	11.8
478.20041	1.4
479.20367	5.1
480.21536	3.6
481.22510	2.7
489.23038	1.8
491.20804	1.3
492.21738	3.2
493.22998	4.0
494.23660	1.4
504.21426	3.9
505.19116	0.8
507.24091	4.5
508.21432	1.3
517.22583	1.6
520.20502	0.8
535.23584	7.2
549.25037	13.3
553.24457	2.2
567.19598	2.3
567.26074	62.4
577.24536	1.9
595.25507	43.8
627.28149	100.0
628.28748	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	627.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05583	0.6
53.03953	0.7
55.05500	1.0
56.96575	1.3
57.78906	0.6
67.05495	0.9
69.03426	0.8
70.68916	1.6
70.69257	0.6
71.05046	0.5
75.31866	0.5
79.05493	1.7
79.58233	0.5
81.07055	1.2
85.02914	0.6
91.05471	2.0
93.07028	1.3
95.08612	1.5
105.07044	1.1
107.08577	1.1
109.06528	0.7
109.10212	0.9
119.08575	1.0
119.99821	0.6
121.10121	0.9
128.21005	0.6
133.10106	0.8
135.04416	0.7
137.06064	0.8
138.38133	0.6
151.03999	0.8
204.26041	0.6
211.03696	0.6
270.05347	0.8
276.04376	0.7
277.05188	0.6
299.05356	1.1
299.08670	0.6
306.05664	0.7
307.09531	0.7
313.10834	1.1
321.15009	0.7
334.04807	3.1
345.03802	1.2
349.03421	1.4
353.15967	1.1
354.60980	0.7
361.13989	1.1
362.04187	3.4
363.04886	1.4
373.03580	1.0
377.10455	1.0
378.10565	1.4
379.15195	100.0
380.15506	1.3
391.04587	1.9
405.02307	0.7
415.16196	0.9
416.05557	1.0
419.03915	3.2
420.04849	7.0
435.07083	2.3
439.16043	2.6
446.02823	0.9
447.03494	10.0
451.15524	0.9
461.04953	5.4
465.04501	2.0
495.07700	0.7
541.20007	0.8
542.56158	0.8
580.06891	0.8
583.21631	15.4
595.07782	0.7
595.24237	0.6
599.11749	1.2
601.69971	0.6
627.11157	42.0
627.20569	29.6
627.28973	1.1
627.31555	1.5
628.11743	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.6
57.03425	0.5
67.05513	0.7
69.03425	0.9
71.58530	0.7
79.05476	0.6
81.07059	0.6
85.02905	0.7
91.05462	1.5
93.07030	0.5
95.04971	0.6
95.08568	0.6
98.97624	0.5
104.70114	0.4
105.03339	0.6
105.07020	1.1
109.02851	0.5
109.10156	0.7
109.79999	0.5
115.17522	0.5
119.08598	0.8
123.08107	0.7
131.08577	1.0
134.24641	0.5
137.05977	1.0
151.03865	0.7
159.11623	0.6
163.03915	0.7
267.10254	0.6
271.05966	0.6
271.10818	0.7
289.05344	0.7
297.03857	0.6
299.05399	0.6
299.08862	0.7
307.05942	0.6
313.06943	0.6
313.10620	1.2
334.04843	3.2
335.05493	0.7
349.03265	1.2
353.15918	1.5
361.13956	1.0
362.04309	2.9
363.04861	0.9
371.17084	0.7
373.03305	1.2
377.06213	0.7
377.10754	0.8
378.10544	1.2
379.15192	100.0
380.15875	1.3
388.05673	0.9
391.04489	1.4
416.05103	0.8
419.04163	2.8
420.04819	6.2
433.05682	0.8
435.07156	1.5
439.15881	3.0
447.03455	8.5
449.05273	0.6
451.16037	0.7
461.05035	5.5
465.04651	1.8
495.07175	1.0
508.08041	0.7
523.06702	1.0
541.20294	1.1
567.08838	0.6
583.08093	0.7
583.21564	15.9
595.25757	0.7
599.12006	2.3
609.10364	0.7
627.11169	35.1
627.20563	25.6
628.11761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93494	0.8
57.96582	0.9
67.05501	1.0
67.84791	0.9
68.43250	0.9
69.80699	4.3
72.06520	1.0
72.64223	0.8
79.05476	1.0
79.83879	0.8
81.07037	1.1
91.05476	5.2
95.08609	1.2
98.20755	0.9
100.16563	0.8
103.05476	0.9
117.97507	0.8
142.20168	1.0
152.01070	1.4
167.03383	1.2
183.08372	0.8
209.09631	1.2
242.05789	3.4
243.10165	1.1
267.10144	7.1
270.05200	4.6
271.04059	1.3
282.05243	1.6
283.06155	1.3
285.07669	3.0
298.04739	2.4
299.05539	1.6
307.09424	49.1
313.07111	7.5
317.12350	0.9
321.14841	3.6
339.15875	5.1
361.14078	12.1
379.15195	100.0
380.15366	1.1
386.83215	0.9
390.04865	0.9
583.21619	12.9
627.21509	45.8
627.30615	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	627.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.0
55.01830	0.8
57.03406	0.5
61.02895	0.5
66.32763	0.3
68.99760	0.6
69.03432	3.5
70.46643	1.1
71.04974	0.4
79.71296	0.3
81.03422	4.0
85.02908	7.2
87.00835	2.7
88.43465	0.3
91.05423	0.3
93.07012	0.3
95.04919	0.4
97.02907	1.7
99.04405	1.1
105.01800	1.1
105.06992	0.3
109.02892	2.2
117.01867	0.4
119.08562	0.4
121.06480	0.3
127.00468	0.3
127.03912	4.1
129.01759	0.4
133.02769	0.3
133.10089	0.3
135.04318	0.5
137.05949	0.4
138.10361	0.3
145.04919	0.8
147.54654	0.3
149.67725	0.3
159.02907	1.5
161.02245	0.5
161.06035	0.4
162.03076	0.3
177.05508	1.8
179.03416	0.4
185.05913	0.4
187.03906	0.9
202.07745	0.5
231.04974	0.5
244.65811	0.3
245.09673	0.7
248.08252	0.4
251.06989	0.4
255.06523	0.7
256.06772	0.4
257.07050	0.5
261.05566	0.4
263.10703	0.6
265.04947	0.5
273.09122	1.9
275.07120	0.7
276.07874	2.7
277.04965	1.8
277.08426	0.7
279.10294	0.4
284.06403	0.5
287.07184	0.4
291.06808	0.5
291.10114	4.2
293.04453	0.9
293.08041	0.8
301.08627	2.7
303.06564	0.8
304.07278	1.9
305.04846	0.6
305.08035	2.7
319.09647	41.5
320.09915	0.7
321.07614	0.7
332.06802	4.1
333.07626	3.9
347.09125	15.1
348.09863	2.4
349.07098	1.0
351.12332	2.4
364.09610	1.4
379.11771	100.0
380.12219	1.5
447.13724	0.4
465.14941	0.4
583.30426	0.5
627.11096	0.5
627.20221	0.7
627.29559	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	627.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01857	1.1
57.03431	0.8
61.02918	0.9
61.70322	0.3
61.77528	0.4
67.05496	0.5
68.99786	0.5
69.03439	4.1
71.56148	0.7
71.56516	0.4
73.02908	0.6
77.25402	0.4
79.05466	0.5
81.03423	3.7
81.07035	0.6
85.02428	0.5
85.02908	6.7
87.00828	2.6
91.05508	0.9
93.07008	0.6
97.02899	2.2
99.04450	1.5
105.01854	1.1
105.03368	0.5
105.07050	0.5
109.02886	2.8
109.10158	0.6
115.05430	0.5
119.58574	0.4
127.03919	4.3
129.01746	0.4
133.02855	1.7
137.05978	1.2
138.59602	0.4
145.04938	1.0
151.03943	0.7
151.07561	1.8
153.05470	0.5
159.02908	1.2
161.02318	0.5
161.06006	0.6
162.03127	0.5
165.05466	2.2
167.03369	0.5
177.05457	2.2
179.07051	4.2
185.06024	1.1
187.03932	1.1
191.07019	0.7
201.05432	2.2
205.04913	0.6
215.07091	1.1
219.06514	0.7
221.02936	0.6
237.05463	0.5
245.09613	1.1
248.08472	0.8
251.07077	0.5
263.10709	0.9
265.05026	1.1
273.09137	1.9
275.07056	1.0
276.07883	3.1
277.05109	0.7
277.08472	0.6
279.10162	1.1
291.06961	0.7
291.10120	5.7
293.08157	0.8
301.08649	2.5
303.06668	1.0
304.07288	1.9
305.08060	2.9
313.10666	1.1
319.09656	46.5
320.10007	0.8
321.07602	0.7
329.07086	0.5
332.06790	2.9
333.07544	1.8
333.11206	0.6
347.09164	13.9
348.09946	3.2
351.12280	1.1
364.09525	2.3
379.11771	100.0
380.12134	1.6
393.13303	3.2
451.12326	0.9
463.13992	1.1
627.12207	1.4
627.32996	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	626.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.6
53.82229	6.7
55.05518	16.3
55.05796	5.7
57.07081	9.9
65.06426	7.7
66.58106	7.3
67.05507	17.1
69.03430	14.9
69.07067	40.6
69.26579	73.2
70.06639	8.1
71.04980	9.2
79.05490	16.5
81.03429	18.5
81.07066	58.4
83.08621	25.0
85.02917	34.1
85.06530	10.1
87.00845	9.5
91.05493	24.5
93.07054	86.2
95.04971	24.0
95.08609	63.6
97.02902	23.2
97.06528	9.8
97.10190	8.2
98.97571	7.8
99.04525	9.2
99.08132	8.8
102.05562	10.5
105.07025	24.4
107.08595	32.2
109.02888	21.0
109.10182	40.5
111.08066	11.2
115.41221	6.6
119.05109	9.4
119.08575	23.1
121.10162	54.3
123.08053	8.6
123.11697	36.8
127.03924	20.1
129.47339	6.8
131.08585	13.0
133.10147	12.1
135.11656	19.3
137.13264	15.3
145.02826	11.9
145.04901	7.4
145.10088	10.0
147.11691	26.9
149.09572	10.5
149.13281	18.5
159.11684	13.6
163.11180	9.2
163.14816	8.8
167.14423	12.1
172.03943	9.8
173.13240	7.9
177.05399	14.3
198.67081	7.4
204.06557	7.7
218.13878	12.8
241.09897	8.8
269.08054	9.9
271.24261	15.6
277.25333	13.4
286.07965	10.6
287.05435	9.9
287.08325	9.7
289.25339	53.4
295.26346	13.1
307.26288	100.0
325.27371	26.1
397.06097	12.3
412.80356	7.7
626.28412	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01870	0.4
57.03431	0.7
61.02932	0.9
64.58120	0.1
65.03912	0.2
68.99785	0.5
69.03439	2.2
70.06589	0.1
71.04981	0.2
73.02912	0.3
81.03422	1.3
83.01353	0.2
83.04982	0.2
85.02908	6.3
87.04461	0.2
91.03935	0.3
93.03391	0.2
94.76694	0.1
95.04965	0.2
97.02901	2.2
98.09711	0.1
98.97542	0.2
99.04445	0.4
109.02883	0.8
111.00806	0.7
121.02875	0.9
123.04444	0.3
127.03924	1.4
137.02345	3.2
137.03407	0.2
143.97940	0.1
145.04933	0.9
147.86902	0.1
149.02324	0.4
153.01828	3.2
161.05963	0.2
163.03905	0.6
165.01836	1.8
166.02531	0.2
173.05951	0.5
183.02956	0.7
183.04335	0.2
187.04004	0.2
195.02878	0.2
201.05492	1.3
209.15446	0.1
219.06474	0.2
224.17638	0.1
229.04973	3.8
247.06134	0.7
257.04468	2.6
274.04657	0.7
275.05289	0.2
285.03986	1.2
303.05002	100.0
304.05386	1.1
311.60736	0.1
315.04852	0.2
326.07730	0.1
345.06100	0.2
345.17310	0.1
429.41052	0.1
465.10333	6.0
466.10941	0.1
513.25787	0.2
525.48230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
55.01861	5.4
55.05504	16.6
57.03424	6.8
57.05100	4.1
57.07070	12.4
61.02929	7.5
65.03954	7.9
67.05518	40.2
69.03430	29.5
69.07066	39.5
71.04987	11.9
71.38049	7.9
78.15508	4.2
79.05488	22.9
81.03436	31.1
81.07062	100.0
83.04972	12.2
83.08609	11.3
83.80391	4.4
85.02415	7.6
85.02906	71.5
85.06543	40.4
87.00829	20.7
91.05480	26.5
93.07048	50.7
95.04975	93.2
95.08061	4.4
95.08614	75.6
97.02885	20.5
97.06544	7.5
97.10174	8.4
99.04461	37.8
99.08103	24.7
105.01864	16.9
105.07043	34.8
107.08593	49.6
108.12798	4.2
109.02858	17.0
109.06513	18.4
109.10146	48.3
111.08073	13.5
111.11720	8.9
113.06012	6.8
113.09669	8.6
117.06998	9.9
118.95576	3.6
119.08593	28.2
121.06527	6.5
121.10159	45.7
123.08014	8.2
123.11706	19.5
127.03931	40.8
127.11181	4.1
131.08560	19.6
133.10129	32.7
135.08047	7.5
135.11734	21.7
137.05997	5.9
137.13240	13.4
139.11147	12.8
142.95314	4.2
143.08501	10.9
145.04974	11.0
145.10135	25.5
147.11691	19.8
149.09608	7.6
149.13261	16.1
151.07513	5.8
151.11217	6.1
157.10146	12.6
159.02855	8.9
159.11684	21.4
161.09723	4.4
161.13263	13.2
163.11169	8.5
165.12778	4.3
171.11694	5.2
171.13782	13.6
173.13295	10.9
175.14839	10.4
177.05504	6.1
177.16402	18.6
181.12239	5.6
185.13245	4.2
187.14832	6.5
189.16402	5.8
195.17418	20.5
199.14810	7.5
213.16556	6.8
213.18523	34.9
215.17938	4.9
231.17500	6.0
269.22534	6.0
275.23889	5.4
287.23639	31.5
293.24728	8.6
302.04236	4.8
305.24744	85.1
317.06561	47.7
323.25854	22.5
341.26889	78.3
415.14731	5.3
485.53073	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	625.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75965	3.2
53.03936	6.4
54.15772	3.8
55.01879	5.7
55.05504	11.8
57.03451	4.7
57.07067	13.0
67.05504	28.4
69.03422	15.4
69.07072	23.9
70.68198	8.3
70.68533	4.4
71.04990	4.9
79.05522	17.2
81.03410	16.7
81.07060	66.8
83.05009	6.9
83.08620	7.2
85.02913	28.1
85.06545	100.0
87.00826	14.0
87.28741	3.4
91.05467	14.3
91.57222	3.5
93.07046	49.4
94.76813	3.1
95.04984	10.4
95.08614	51.8
97.02878	7.2
97.06538	5.1
97.10123	3.8
99.04454	7.3
99.08083	7.4
105.01913	5.7
105.07047	35.1
107.08604	41.5
109.02864	9.1
109.06490	6.9
109.10163	43.0
111.08109	5.1
113.09677	6.7
117.07043	5.0
119.08579	32.2
121.10147	36.6
123.11746	10.1
125.09618	21.2
127.03963	12.2
131.08563	13.7
133.10135	27.0
135.11726	28.9
137.09598	7.2
137.13289	6.6
139.11200	12.6
143.08588	5.4
145.04941	6.0
145.10117	18.0
147.11678	10.1
149.13252	14.5
151.11166	5.9
153.12740	4.0
155.10672	5.9
157.10210	5.4
157.12248	11.9
159.02888	6.5
159.11696	15.9
161.13310	11.3
163.14801	10.3
165.12695	7.3
171.11699	5.6
173.13268	7.0
175.14838	14.5
177.16429	7.3
187.14854	8.7
189.16414	12.0
189.36473	4.3
191.14314	4.1
193.15958	3.9
199.14732	4.9
203.17891	4.5
205.15868	4.3
211.16972	17.8
213.16440	7.9
215.18124	3.9
257.22644	5.8
269.22668	11.9
275.23788	12.6
286.04727	4.7
287.23682	22.9
293.24762	11.6
301.06992	5.6
305.24738	30.2
311.25955	6.7
317.06491	4.2
323.25897	31.6
341.26810	16.0
359.27896	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01856	1.3
55.05500	3.1
57.03431	1.7
67.05506	8.4
69.03398	0.7
69.07076	3.7
69.29350	5.0
69.29772	2.1
71.04990	1.1
71.52463	0.7
71.97511	0.7
74.15570	0.8
75.47432	0.7
79.05496	8.6
81.07063	8.7
83.04977	2.1
83.08614	2.5
85.06535	1.0
91.05488	8.1
92.01037	0.7
93.07045	8.1
95.04974	1.6
95.08614	5.8
97.06551	1.2
97.10146	0.8
98.21561	1.5
105.07041	5.8
107.08591	5.9
108.11777	0.8
109.06516	1.1
109.10163	3.0
117.07050	2.0
119.08595	6.4
121.10157	3.2
129.07051	2.1
130.07745	0.9
131.08566	4.0
133.10144	2.9
135.08026	1.4
135.11711	1.6
143.08554	1.8
143.23653	0.7
145.10155	4.2
147.11656	2.1
149.16286	0.8
151.11121	0.9
155.08606	1.2
157.10197	1.3
159.11760	1.8
169.10123	1.3
171.11752	0.9
183.11714	1.8
185.13272	0.9
187.14894	0.9
197.13214	1.1
199.14896	1.0
201.16344	0.8
211.06906	0.7
257.19012	1.5
273.18497	1.8
275.20282	1.0
291.19586	2.1
314.16293	1.2
376.17789	1.0
377.17548	2.5
378.18442	1.1
389.18143	1.6
390.18515	2.4
391.19147	5.0
392.19894	3.8
393.21005	0.9
396.17676	0.7
403.19257	1.3
404.20078	2.6
405.20752	10.3
406.21573	2.6
407.22266	6.8
419.22656	5.1
420.22995	4.8
421.23807	10.0
422.17578	1.1
422.24341	1.4
433.23895	2.5
434.24780	2.6
435.18826	2.1
435.25299	1.3
436.19238	2.4
437.19720	0.9
445.20074	1.4
448.19727	0.9
449.19669	2.9
449.27243	0.8
450.20551	2.5
451.21304	23.7
452.21985	5.9
460.22699	1.8
461.24060	1.1
463.21542	2.2
464.22162	3.2
465.22824	16.5
466.23825	4.4
475.25140	1.3
478.23569	2.2
479.24185	1.8
487.21140	1.2
491.20966	1.2
492.21735	3.4
493.26031	13.5
494.26736	3.2
503.24539	8.3
504.24585	1.3
505.22418	1.1
509.21774	4.2
521.25659	10.6
523.23444	11.8
537.24945	7.1
538.25769	23.5
547.23578	3.2
548.24677	0.8
553.38580	1.2
565.24481	12.3
566.25159	4.6
575.23212	0.9
581.27649	7.7
607.25696	8.8
607.43402	1.9
625.26593	100.0
625.44244	7.3
626.26642	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	625.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84681	4.6
67.05500	8.8
69.07076	5.9
71.56744	5.8
79.05481	9.2
81.07035	6.7
91.05457	7.4
93.07082	5.9
95.08619	8.2
104.81817	4.1
105.07046	8.7
107.08589	7.6
109.10079	3.7
115.51942	3.5
119.08582	5.0
129.44324	4.5
133.83453	4.1
145.10219	4.4
147.11621	4.5
203.07211	4.0
204.93735	4.2
223.12422	5.7
225.14220	4.8
243.71793	4.0
253.13394	6.3
258.11853	3.9
417.21063	7.7
420.11453	7.2
421.11493	5.3
431.18753	6.7
459.21738	36.1
460.22424	9.3
501.22116	4.4
505.19376	5.1
519.23999	4.7
520.21790	5.2
533.25531	25.2
549.25562	4.7
565.24329	14.8
575.22034	5.2
582.24603	7.4
589.24579	5.2
592.26874	100.0
593.24152	49.6
597.27240	19.3
607.25232	11.3
608.26447	9.9
625.26721	97.7
625.44489	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	625.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01845	0.3
55.05494	0.6
57.03410	0.7
61.02909	0.6
61.77761	0.4
65.03906	0.4
67.05460	0.4
69.03432	1.8
69.07040	0.5
70.86431	0.3
70.96763	0.5
70.97082	0.4
71.04966	0.5
73.02924	1.5
79.05459	1.2
81.03397	0.9
81.07018	0.9
83.08553	0.3
85.02912	2.3
91.05485	2.2
93.07021	1.0
95.01314	0.7
95.04945	0.6
95.08585	0.9
97.02859	1.2
102.04718	0.4
103.05479	3.1
105.06374	0.3
105.07034	3.8
107.04931	1.2
107.08595	0.7
109.02881	0.6
109.10146	0.5
110.73081	0.3
111.04453	0.3
115.05450	0.6
117.06967	0.4
118.04171	1.8
119.04900	1.2
119.08550	0.4
121.06482	1.0
121.10098	0.4
123.00771	2.7
123.04394	0.5
127.03841	0.9
128.06216	1.0
130.04115	1.0
131.04037	0.3
131.04942	5.4
131.08580	0.3
132.05661	0.4
133.06497	3.4
133.10083	0.7
135.04372	1.2
137.02370	0.4
137.05981	1.7
141.06993	0.4
143.08563	0.4
146.03647	3.8
147.00793	0.5
147.04422	2.0
148.05161	1.1
149.02318	0.5
149.05962	1.4
150.09116	0.3
151.07503	0.5
152.01030	1.9
153.01802	0.6
153.06964	0.5
161.05986	6.2
162.06767	1.8
163.03885	0.4
163.07556	2.6
165.07043	0.4
167.03362	0.4
167.07002	0.7
168.05736	1.0
169.06476	0.5
170.02078	0.6
171.08066	8.6
176.04710	0.5
177.05513	1.4
179.07042	0.7
181.06560	0.5
183.08035	1.5
184.05197	1.5
185.05986	0.6
191.06982	1.1
193.08559	0.4
195.04434	0.6
196.05222	0.6
197.06064	0.4
199.07536	0.7
209.05983	2.9
210.08794	0.4
211.07541	1.3
212.04721	0.9
213.05511	0.6
223.03897	0.9
227.07037	0.5
229.08618	2.5
239.07019	1.0
240.04155	1.2
240.07784	2.3
241.04936	0.6
243.11215	0.4
251.06958	0.3
252.04196	0.7
253.05023	1.0
255.06534	100.0
256.07117	1.5
267.06519	0.5
268.07330	0.7
269.04373	1.2
269.08047	0.6
270.05188	0.8
271.05951	1.6
281.08038	1.7
283.06036	38.6
284.06787	15.6
284.09979	0.6
285.07584	23.2
285.12570	0.6
287.05420	0.8
295.05963	0.4
309.08051	0.3
313.07004	0.5
325.07184	0.3
339.08810	0.3
357.11353	0.3
371.09241	0.5
401.10498	0.7
413.10233	4.4
430.11102	0.3
430.17703	0.7
433.12762	1.5
445.12878	21.8
463.13901	28.6
464.14355	0.5
467.68109	0.3
475.13925	5.0
493.14960	17.3
581.28564	0.4
625.19171	42.0
625.27539	1.8
626.19830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01859	0.5
57.03434	1.8
59.04986	0.4
59.99913	0.3
61.02892	1.2
67.05470	0.6
69.03430	4.8
69.25884	2.9
71.04979	0.4
71.73027	0.3
73.02878	1.3
79.05488	0.5
81.03419	1.7
81.07037	0.6
83.04936	0.3
85.02429	0.5
85.02908	7.1
87.04436	1.1
91.05487	2.1
92.91333	0.3
93.07065	0.3
95.01264	0.4
95.04945	0.6
95.08578	0.8
97.02901	2.8
98.21512	0.6
99.04426	0.5
101.02379	0.4
102.04678	0.7
103.05496	1.5
105.07028	3.3
107.04906	0.8
107.08584	0.7
109.02876	1.4
109.06480	0.4
109.10118	0.4
115.05439	0.5
117.34226	0.3
117.88991	0.3
118.04146	1.1
119.04960	2.0
119.08575	0.5
120.39353	0.3
121.06487	0.5
121.10153	0.3
123.00804	2.2
123.04433	0.4
124.05168	0.8
125.03807	0.2
125.05917	0.3
127.03918	2.1
128.06190	1.1
129.06970	0.4
130.04079	0.9
131.04936	3.2
132.05722	0.7
133.02876	0.3
133.06505	2.8
135.04477	1.3
137.05994	2.0
141.06979	0.5
145.02808	0.3
145.04935	0.7
145.06288	0.3
145.10042	0.3
146.03644	3.7
147.04399	3.3
148.05145	1.0
149.02370	0.3
149.05914	0.3
149.09659	0.3
151.07489	0.3
152.01085	2.5
152.06229	0.4
156.05690	0.4
157.10123	0.5
161.05995	6.7
162.06761	1.5
163.03874	0.5
163.07532	1.2
165.09392	0.3
168.05708	0.6
170.02104	0.5
171.06656	0.4
171.08058	7.2
175.11131	0.3
177.05458	0.4
178.02571	0.5
179.07082	0.5
180.07893	0.5
181.04968	0.3
181.06441	0.8
183.08090	1.3
184.05150	1.2
185.05989	0.5
196.05107	0.3
197.05965	0.7
199.07556	0.8
209.05998	2.5
211.07530	1.6
212.04681	1.1
213.05470	0.4
217.08571	0.4
223.03880	0.6
225.05322	0.4
227.07056	0.7
229.08589	2.7
239.03444	0.4
239.07025	0.8
240.04111	1.0
240.07832	2.9
241.04807	0.8
242.05679	0.3
251.06845	0.5
252.04178	1.1
253.04991	1.1
255.06526	100.0
256.07135	2.2
267.06274	0.3
268.07275	0.6
269.04443	0.7
269.08078	1.2
270.05203	0.5
281.08163	2.1
283.06024	39.3
284.06787	17.9
285.07587	21.8
287.05527	0.5
293.07849	0.4
295.06055	0.6
309.07431	0.3
325.07071	0.6
327.08813	0.3
339.08701	0.3
359.21924	0.3
385.10379	0.4
413.10129	2.0
430.10626	0.7
433.12848	5.4
443.10934	0.3
445.12872	28.9
463.13904	77.7
464.14117	1.5
505.14899	0.6
625.19165	22.7
625.27966	1.0
626.19702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1767
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
51.02620	1.2
53.03928	1.5
55.01863	3.2
57.03426	4.4
69.67902	3.1
69.68317	4.5
70.34329	1.3
72.08144	2.2
73.02888	1.6
79.05487	1.9
81.03412	2.0
85.02911	7.9
86.84425	1.2
88.74133	1.2
91.05492	1.6
93.07040	1.3
97.02881	2.0
103.03944	3.1
107.04910	3.0
109.02858	4.2
119.04906	2.2
121.02835	1.2
121.06498	1.2
121.38251	1.3
123.04456	1.4
127.03864	1.5
134.03682	1.6
137.02312	8.1
137.05960	1.7
147.04453	1.8
149.06003	9.6
151.03915	28.8
151.05098	2.6
161.02396	2.0
163.03917	1.9
165.01819	1.8
167.07089	2.2
173.02425	1.4
175.03889	3.0
177.01900	3.5
177.05402	2.0
179.03410	1.7
187.03885	2.2
189.01826	7.1
191.03371	4.0
195.02907	4.5
201.01872	2.5
203.03389	6.3
207.02905	6.1
211.03889	1.8
213.05412	1.7
215.03375	3.1
217.01248	1.2
217.04976	4.1
219.02803	5.4
225.03763	2.0
229.04903	2.6
231.02916	1.8
233.04446	3.7
239.03433	2.3
243.02927	2.0
245.04291	1.6
255.02850	3.8
257.04449	1.7
267.06454	3.0
273.03879	1.6
281.04410	2.4
282.05249	1.6
283.05997	2.2
284.06674	2.8
285.04019	2.3
294.05334	2.7
295.06171	3.4
296.06793	4.3
297.07343	2.6
298.08392	4.5
301.06955	4.8
304.62466	1.6
308.06665	1.4
309.04138	3.0
309.07449	5.5
310.04721	13.0
310.08243	2.4
311.05557	2.0
311.09003	3.1
312.06247	5.5
313.07089	8.3
314.07336	1.8
317.06439	1.7
322.04675	8.9
322.08380	3.1
323.05435	4.5
323.09186	3.3
324.06345	20.4
325.07056	73.9
326.07684	5.7
327.08426	7.2
334.08383	3.8
336.06305	11.4
337.07068	46.5
338.07782	13.8
339.05078	2.2
339.08636	12.9
340.05643	5.1
343.08182	7.0
347.09286	1.8
348.06281	2.9
349.07095	6.3
350.07831	8.6
351.04492	1.2
351.08649	20.9
352.05649	6.3
352.09451	8.8
353.06424	2.2
353.10281	3.6
355.08142	100.0
360.06363	1.7
361.10959	1.9
362.07907	6.4
363.08652	8.6
365.06433	2.5
365.10260	15.3
366.07394	7.6
367.08139	59.5
369.10062	2.1
375.08554	3.7
376.09579	1.8
377.05997	1.9
377.10156	8.6
379.08142	26.9
380.08737	3.0
381.05356	2.3
381.09695	20.8
383.07361	1.8
385.09225	24.9
390.07056	3.1
391.08087	15.6
391.12399	2.5
393.09393	6.6
395.11404	11.4
397.08978	3.8
400.87564	1.6
403.08142	7.2
404.08722	2.1
405.09644	11.2
406.06534	1.7
407.07227	2.2
409.09198	50.6
410.09296	2.4
415.08102	3.0
417.09570	2.1
418.06839	2.5
419.11411	3.6
421.09235	28.2
423.10583	2.9
425.12711	1.5
431.11453	2.7
433.09180	20.1
439.10306	47.9
439.16296	2.6
443.11157	1.6
445.09561	5.1
447.10709	2.3
451.10278	25.4
457.11331	40.4
463.10345	3.7
469.11349	36.6
471.12085	1.4
475.11777	7.3
487.12396	95.5
488.12494	2.4
493.11270	5.0
505.13382	17.4
511.12347	29.8
517.11597	5.0
523.12415	4.7
529.13568	21.6
535.12598	8.6
541.13477	23.6
553.05524	1.9
553.13446	27.0
559.14478	7.9
571.14502	29.3
589.15472	22.2
607.16736	8.8
625.17383	2.1
625.27142	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	625.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03428	1.0
69.03425	1.7
70.06592	0.8
71.23605	1.3
72.08150	1.1
73.18140	0.6
81.03406	2.3
81.07054	0.6
85.02899	5.5
91.05495	0.6
95.04955	0.7
97.02908	3.5
99.04439	0.6
104.72881	0.6
105.07043	0.8
107.04958	0.8
107.08580	0.7
107.44743	0.7
109.02876	2.3
109.06446	0.6
113.91656	0.7
119.08598	0.8
120.04465	1.2
120.90141	0.6
121.02875	1.0
121.06482	0.7
127.03906	1.5
132.04420	1.3
133.10103	0.7
134.06021	1.2
135.04366	0.6
137.02361	0.8
141.01828	0.8
149.02341	0.6
149.06029	1.8
151.03926	4.0
151.05000	0.9
165.01840	8.8
167.03392	1.4
175.03925	1.8
177.01880	0.9
183.02943	2.0
189.03691	0.6
191.03497	1.0
195.02931	1.6
202.09845	1.1
215.03499	0.9
229.05104	0.6
230.09279	1.2
231.07828	0.7
232.10832	0.6
233.04460	0.6
243.02953	1.2
254.05705	0.9
259.11920	5.9
268.07309	0.9
270.05191	1.8
271.05954	1.5
277.12808	0.7
282.05112	3.7
283.06265	0.7
286.04718	2.6
296.06775	6.7
297.07504	3.2
298.04733	18.5
299.05252	1.2
300.06366	5.1
301.07104	8.2
302.12448	2.6
309.07565	1.2
310.04688	4.7
310.08398	3.5
311.09134	4.4
312.06238	0.8
313.07065	100.0
314.07727	5.2
317.06564	0.7
320.06668	1.0
324.06351	9.9
325.07147	8.3
325.10837	1.9
327.08603	2.5
328.05774	15.9
335.09171	1.5
336.06274	2.4
337.07004	2.1
338.07834	5.9
339.04944	1.8
339.08606	15.1
343.08136	76.3
344.08539	1.2
348.06287	2.1
351.08643	1.6
352.05859	1.3
353.06085	1.0
353.10239	16.0
355.08032	0.9
363.08664	2.4
364.05759	2.1
366.07520	1.6
367.08139	44.9
368.08649	0.8
376.05759	1.7
379.08154	12.7
381.09845	3.1
391.08179	10.6
394.06592	3.2
397.09222	28.4
409.09219	23.4
421.17667	0.7
427.10281	27.7
445.11316	37.1
463.12555	8.3
463.19092	1.3
505.13214	1.5
529.12885	1.1
563.27893	0.8
575.20099	0.7
607.16229	2.1
607.26477	1.0
625.28345	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	625.1768
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
57.03440	2.2
61.02898	0.8
61.33450	0.5
69.03418	1.9
69.95452	0.9
69.95844	1.0
71.04646	0.7
71.05000	11.1
73.02892	0.6
81.03400	0.6
83.04984	0.4
85.02913	15.5
87.04446	0.6
93.03408	0.7
97.02869	1.0
99.76130	0.5
109.02892	0.8
111.04484	0.5
121.02856	0.9
124.38285	0.5
127.03936	0.8
129.05498	3.5
139.03929	0.6
145.05006	0.6
147.06523	1.3
148.78287	0.5
151.03879	0.8
153.01860	4.3
165.01836	0.5
168.10927	0.4
177.05617	0.5
201.05544	0.6
218.05852	0.5
228.04269	0.9
229.04944	2.8
231.02942	0.5
243.35744	0.5
245.04637	0.5
246.05225	1.2
257.04465	2.4
261.07605	0.5
273.03940	1.3
274.04666	3.1
280.48557	0.4
284.03140	0.7
285.03958	3.6
302.04239	10.4
302.95343	0.4
317.06586	100.0
318.06958	1.0
352.63123	0.5
383.69287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1555
Annotation	kaempferol 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
53.03939	0.2
53.66465	0.1
54.90917	0.1
63.02364	0.1
67.01864	0.6
68.99792	0.7
69.03419	0.4
69.89612	0.6
78.04719	0.1
79.05505	0.2
81.03417	1.2
81.07022	0.1
85.02900	0.4
89.03928	1.5
91.05470	0.2
92.57586	0.1
92.75799	0.1
93.07027	0.1
97.02897	0.2
99.04446	0.1
107.04943	0.2
107.08619	0.2
109.02877	0.4
111.00835	0.1
117.03381	4.2
129.01865	0.2
135.04417	1.8
137.02382	1.1
137.06050	0.1
145.02855	10.4
149.05988	1.4
153.01830	6.4
161.02322	1.5
166.95341	0.1
171.02887	0.9
177.05475	26.3
178.05838	0.2
179.03406	0.6
185.05959	0.2
186.05455	0.2
195.06625	0.2
201.05548	0.2
213.05452	0.1
219.06482	0.3
241.05000	0.9
245.04453	0.2
259.06018	0.2
263.05304	0.1
269.04495	0.6
287.05502	100.0
288.05795	1.0
321.09760	1.6
339.10803	0.9
380.67896	0.1
451.03497	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	624.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56608	0.5
55.01876	0.6
55.05509	0.8
57.03436	3.3
57.07070	1.0
58.99572	1.4
59.04984	0.6
61.02930	1.3
67.05499	1.3
69.03432	36.8
69.07066	3.0
70.01708	0.9
70.02111	1.7
71.04989	0.9
72.08131	1.3
73.02940	3.0
76.02216	2.2
79.05486	2.2
81.03427	0.7
81.07066	3.0
83.04973	2.7
83.08588	0.8
85.02911	8.3
85.06539	1.8
86.99049	0.7
87.04456	3.3
91.05463	1.5
93.07046	3.7
95.08610	6.6
97.02898	5.1
97.06538	2.7
100.02203	1.9
102.09168	0.8
105.00085	0.9
105.07047	3.2
107.08603	7.5
109.02856	0.8
109.06507	3.4
109.10148	2.0
111.08077	2.5
115.03936	3.6
119.04918	0.5
119.08556	2.5
121.06516	1.3
121.10139	11.9
122.02734	19.9
123.08105	2.5
123.11698	4.8
125.09639	15.4
127.03889	0.9
128.47829	0.6
131.08575	4.1
133.04958	3.7
133.10130	3.8
135.08069	7.1
135.11681	4.7
145.04887	0.8
145.10118	2.3
145.53674	0.5
146.02730	1.8
147.04401	1.1
147.11694	2.4
149.09621	6.5
149.13268	2.4
151.11227	0.9
153.09119	5.4
158.10924	2.2
163.11214	1.5
163.14857	3.8
164.03758	2.3
165.12759	2.2
167.05237	0.8
167.10736	2.5
173.13278	15.0
176.11852	0.5
191.14314	55.6
192.14589	0.7
200.03769	0.8
204.12297	0.9
209.15373	100.0
210.15692	1.1
223.11513	3.2
241.12607	7.3
254.07002	3.0
259.08093	0.6
269.43784	0.5
284.07938	0.6
317.06619	0.6
317.50940	0.6
330.17349	19.6
338.07761	0.5
371.20532	0.6
372.18097	0.6
374.08237	0.6
456.20575	0.8
462.21982	1.1
492.22696	7.1
624.25659	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01858	6.0
55.05511	21.0
57.03415	6.7
61.02929	22.8
67.05508	37.1
69.03413	7.7
69.07059	14.0
69.50665	15.4
71.04977	4.4
73.02909	9.9
79.05494	32.5
79.63439	2.3
81.03413	7.0
81.07060	38.1
83.04957	5.2
83.08624	12.4
85.02910	18.1
85.06530	5.2
91.03963	11.6
91.05483	38.3
93.07045	29.8
95.04964	8.1
95.08604	25.6
96.49723	2.3
96.71871	2.0
97.02875	14.0
97.06523	9.4
97.10181	3.7
98.21477	4.3
99.04407	3.1
103.05439	2.3
105.07036	34.6
107.04926	7.4
107.08580	15.9
109.02862	3.9
109.06512	5.7
109.10164	6.4
111.08060	3.9
115.05444	3.9
117.07022	28.0
119.04932	2.2
119.08579	21.6
121.06525	6.4
121.10136	10.3
123.08059	4.1
123.11708	2.8
125.09599	2.8
127.03919	4.3
128.06219	9.1
128.53320	2.2
129.06990	34.5
131.04964	2.2
131.08574	36.7
133.06483	6.2
133.10104	11.5
135.08078	4.5
135.11642	3.8
139.11140	2.8
141.06981	14.2
142.07755	3.8
143.08557	20.4
145.06505	5.9
145.10127	22.9
147.08064	5.1
147.11665	7.1
147.51411	2.5
149.09598	4.7
149.13312	2.3
151.11197	2.8
153.07008	2.5
155.08562	19.6
157.06505	3.4
157.09000	2.8
157.10089	17.5
159.08075	5.0
159.11676	11.5
161.09610	3.2
161.13229	3.3
161.94623	2.3
165.07027	3.2
167.08565	11.4
168.09373	2.4
169.10109	15.3
170.88747	2.2
171.08012	3.9
171.11656	10.5
173.09636	3.7
173.13255	4.0
177.12794	2.7
179.08556	6.5
181.10136	11.9
182.40558	2.1
183.11674	7.7
185.09689	3.5
185.13234	7.4
187.11147	2.1
187.14749	3.7
189.38902	2.1
191.08563	2.3
193.10104	7.1
193.11980	2.3
195.11630	10.4
197.09566	2.9
197.13220	8.0
199.14848	3.2
201.12811	4.0
203.14369	2.6
207.11690	5.6
209.13272	8.5
211.11240	3.7
211.14786	7.0
213.12714	2.5
215.12508	2.4
215.14342	7.3
221.13214	9.3
223.14801	5.7
225.16403	4.8
227.14354	2.9
233.13217	2.6
239.14307	5.4
240.12718	2.3
241.15910	3.4
244.90735	2.7
249.16420	3.3
253.15775	4.3
257.15329	4.5
259.16989	3.1
267.17493	2.5
271.16937	6.5
315.20898	3.0
323.23764	5.0
333.22034	16.7
341.24716	8.2
351.18817	1.8
351.23145	43.5
369.24185	31.4
387.25391	18.9
425.26810	6.4
443.27966	100.0
444.28015	2.6
461.28998	68.5
605.32751	2.7
623.34326	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	623.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.6
57.11601	0.3
62.60649	0.3
67.05482	0.5
69.07076	0.6
70.69757	1.0
76.54507	0.3
79.05461	0.4
81.07011	1.3
83.08549	0.3
91.05437	1.0
93.07041	0.7
95.04872	0.4
95.08582	0.5
105.06999	0.5
107.08575	0.7
109.10118	0.5
119.08562	0.4
121.10123	0.7
124.63956	0.3
131.08548	0.3
133.10040	0.4
135.11658	0.3
143.08421	0.3
145.10088	0.4
147.11618	0.4
171.11646	0.3
252.47691	0.3
391.11548	11.0
391.19238	0.6
419.11069	100.0
420.11456	2.0
429.20978	0.5
433.20093	0.6
437.12106	0.3
443.22879	0.4
447.18173	1.0
448.22784	0.4
459.22150	0.5
460.13736	3.6
461.19910	1.0
462.21167	0.3
472.22778	0.4
476.22128	4.2
477.23007	0.7
503.24435	0.6
521.25092	0.4
531.24200	0.7
545.25543	4.4
563.26355	2.2
573.24524	0.3
591.26349	1.0
605.28485	0.4
623.28998	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	623.2865
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
60.23220	0.3
63.42058	0.3
69.76759	1.0
69.77170	1.0
81.07059	0.5
91.05468	0.6
93.07054	0.6
105.07029	0.7
106.85592	0.3
107.08650	0.4
119.08598	0.7
121.06603	0.4
147.85310	0.4
148.03943	0.3
162.59622	0.4
183.09274	0.4
223.08568	0.3
257.08099	0.4
348.95715	0.4
377.17346	0.6
389.17795	0.8
390.18716	0.9
391.19287	1.6
392.19992	0.6
400.16354	0.4
403.19473	1.0
404.15762	0.6
404.20187	1.1
405.16379	0.7
405.21432	2.0
406.21619	1.1
407.22403	0.8
410.15781	0.3
416.20178	0.5
417.16226	1.7
417.21738	0.7
419.18539	2.3
419.22647	1.8
420.19043	0.6
421.24173	2.3
429.17358	1.3
430.17551	0.5
431.18680	1.6
431.23413	0.5
432.19598	1.4
433.20013	3.4
434.21078	1.1
435.21976	1.5
443.18253	0.7
444.19421	0.9
445.20206	2.9
446.21207	1.1
447.17230	1.0
447.22900	3.4
448.22751	2.0
449.23407	5.2
457.20099	0.5
458.21179	1.4
459.22061	2.6
460.22800	0.9
461.18646	2.0
462.20273	0.6
463.21466	1.6
475.20370	1.7
476.22003	5.2
477.22876	5.4
489.23047	2.2
490.23587	0.9
503.24484	1.1
504.24884	0.5
508.24814	0.7
519.24329	0.6
520.24805	0.4
521.21484	1.8
531.23743	0.5
533.25696	3.2
535.27509	4.0
536.26892	0.5
545.25629	1.6
563.26563	17.5
591.26080	1.3
593.27692	0.6
595.28717	0.8
605.27728	3.0
606.28400	1.6
623.28668	100.0
624.28717	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51781	0.2
67.05516	0.5
69.07079	0.4
71.32834	0.5
79.05488	0.4
81.07062	0.5
85.13280	0.2
91.05493	0.8
93.07056	0.9
95.04958	0.3
95.08624	0.7
99.04485	0.3
105.07056	0.7
107.08591	0.4
109.06517	0.2
109.10166	0.4
119.08604	0.6
121.10133	0.6
131.08577	0.4
133.10187	0.3
135.11743	0.3
144.08125	0.2
145.10143	0.6
147.11603	0.6
153.56944	0.2
157.10077	0.3
159.11684	0.3
172.14653	0.2
175.14993	0.2
197.13486	0.2
199.14897	0.3
203.07187	0.2
205.04945	0.2
207.47826	0.2
209.10876	0.3
221.10783	0.3
223.12389	0.4
264.18567	0.2
267.10242	0.3
324.15402	0.3
327.14468	0.2
375.16409	0.4
387.16290	0.3
388.16943	0.5
389.17761	1.0
390.18268	0.5
391.19241	1.2
392.19928	0.3
400.17325	0.2
401.17856	0.9
402.18640	0.7
403.19293	2.0
404.20200	0.7
405.20956	2.2
406.21463	0.6
407.22455	0.9
413.17630	0.3
415.19757	1.5
416.20105	0.8
417.16922	1.3
417.21906	1.7
418.17584	0.5
418.22473	0.3
419.17722	0.4
419.22870	2.7
420.23126	1.1
421.24133	0.4
428.20663	0.3
429.21762	1.0
430.17068	1.2
431.17758	2.5
431.23102	1.0
432.18674	1.2
432.24072	0.5
433.20145	5.9
434.20767	0.5
435.21951	0.4
443.17957	1.4
444.18951	2.2
445.19867	3.9
446.21194	2.4
447.22153	4.0
448.22549	1.0
449.23584	0.5
457.19913	0.5
458.20895	5.9
459.21729	4.9
459.27240	0.3
460.12628	0.3
460.22809	3.8
461.19360	0.6
462.20670	0.8
463.21371	2.5
465.22937	0.5
471.22464	0.5
472.22491	0.8
473.23624	1.3
475.20667	1.2
476.22101	0.9
477.23019	1.8
485.23514	0.6
486.24481	0.3
487.24863	0.8
489.19272	0.7
490.23352	0.3
491.24185	0.5
492.25064	0.3
502.24094	0.3
503.19965	0.4
503.24838	0.5
504.25287	0.4
505.22653	0.7
505.27396	0.4
517.21558	1.2
518.23065	4.9
519.23828	0.8
521.22028	1.5
530.23163	0.6
531.23712	0.9
532.24274	0.4
533.25574	6.9
534.25897	0.5
535.27899	1.5
545.25696	4.1
545.33734	0.5
546.26453	1.6
549.24860	0.3
562.25751	0.3
563.26501	5.5
564.27106	0.4
573.25330	1.0
577.27600	0.5
591.26361	0.4
605.27612	10.0
606.28052	0.5
623.28680	100.0
624.28809	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72384	0.7
69.85641	0.6
71.06657	1.0
71.06964	0.6
78.80978	0.6
82.88110	0.6
85.51969	0.6
148.38957	0.7
196.07698	0.7
209.10866	0.7
254.10341	0.6
370.91162	0.7
377.17783	1.3
378.18475	1.0
389.17987	0.7
390.18393	0.9
391.19141	2.5
392.19882	2.8
393.20813	1.2
399.15854	0.7
400.62476	0.7
401.17673	1.3
404.20309	1.5
405.20895	2.3
406.21500	3.5
407.22403	8.9
415.19214	2.3
419.17987	1.0
419.22723	1.1
420.23032	2.1
421.23843	8.9
422.24509	2.8
428.20187	1.8
429.21036	4.6
430.21686	1.2
431.18381	0.8
432.19626	1.1
433.20126	1.3
433.24997	1.0
443.22375	2.6
444.23657	1.2
445.20358	1.1
447.18011	1.7
456.19858	0.8
457.24356	0.8
458.24832	2.6
459.21951	3.8
461.19250	5.1
462.20715	1.3
463.21078	1.2
472.22495	2.7
473.23669	1.4
475.21164	5.7
476.21396	4.6
477.23016	2.8
484.18832	1.0
485.23697	4.4
486.20047	1.8
486.24539	0.8
487.21030	1.3
488.22021	1.4
489.23090	3.4
499.21164	5.6
500.22061	1.6
503.24561	8.5
504.24966	1.1
505.22168	1.3
507.23743	0.9
508.28809	1.0
513.22931	1.8
515.24615	1.8
517.25684	2.2
531.23297	0.8
535.27118	6.6
545.25458	26.3
545.33575	1.4
546.26135	1.2
563.26489	1.1
564.27362	1.9
573.25098	9.8
577.28613	1.1
591.25885	2.8
605.27637	17.7
623.28662	100.0
624.29138	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94268	0.8
65.97908	0.8
69.68947	0.9
70.82593	2.1
70.82958	0.8
77.46921	1.0
244.96278	0.9
247.67796	1.0
277.70782	0.9
375.16660	1.3
377.17966	1.5
389.18661	1.2
390.18979	1.4
391.19284	4.2
392.20102	3.9
393.20792	2.0
400.16946	1.3
401.17609	1.9
402.18909	1.3
404.20425	2.1
405.20871	5.8
406.21719	3.4
407.22226	11.3
413.17581	2.2
414.18527	2.9
415.19336	3.8
416.20044	1.4
417.21021	1.1
419.22900	1.7
420.22952	2.5
421.23941	12.6
422.24686	2.8
427.19531	2.2
428.20178	3.4
429.20984	10.9
430.21927	2.5
431.22974	1.7
433.20218	2.1
434.24722	1.2
442.21936	2.4
443.22534	7.4
444.23450	4.8
445.20230	1.9
447.17685	1.6
448.19611	1.2
456.19717	1.8
457.23898	4.3
458.24948	8.7
459.21909	9.4
460.22635	1.5
461.19116	5.7
462.20145	1.4
470.20844	1.1
471.22147	1.8
472.22641	7.3
473.23929	1.8
475.21011	6.0
476.21671	5.8
477.23010	3.9
485.23523	16.3
486.24088	4.8
487.21036	1.3
488.21875	2.8
489.23029	3.2
490.23752	1.2
499.21362	4.0
500.22266	1.3
502.23578	1.8
503.24570	8.0
504.24442	1.3
505.90479	1.2
507.23969	1.5
513.22888	3.8
514.23993	1.6
515.24426	1.6
517.26190	8.6
529.25757	1.2
535.26971	5.8
536.27020	1.4
545.25507	90.5
546.25940	2.5
563.25732	1.2
564.27057	2.2
573.24957	20.7
574.25256	1.2
591.26129	2.1
605.27606	100.0
606.27905	3.2
623.28674	87.0
624.28894	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	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	1.0
71.12987	2.1
73.28404	0.8
83.31593	0.9
93.07116	0.9
95.08598	1.5
105.07072	1.4
107.08598	1.2
119.08628	0.8
134.09679	0.9
145.10042	1.2
163.14708	0.9
225.14111	1.5
233.24629	0.8
237.14008	1.5
306.20486	0.9
326.13013	1.0
390.18045	1.0
391.19266	1.5
392.20303	1.2
404.16077	1.4
405.20798	2.5
406.21613	1.8
407.22821	2.0
417.16916	1.7
418.17566	1.5
419.18106	1.3
421.24249	2.0
432.19727	1.0
433.15811	1.5
433.20804	1.6
434.20822	1.4
435.22198	4.2
446.16940	1.3
446.96512	0.9
447.18207	3.1
448.18835	3.3
449.23373	2.8
450.24179	1.3
461.19730	3.6
462.20114	5.1
463.21237	8.3
475.21109	5.4
476.21835	9.1
477.22714	11.1
478.23322	3.6
503.25085	1.0
521.24121	1.3
534.23438	1.1
535.24152	3.9
536.24091	4.0
545.25488	2.5
547.26862	2.5
549.25128	4.4
550.25830	1.1
563.26489	22.4
564.27100	8.8
579.29694	1.2
591.25958	9.5
594.24884	3.0
595.28778	2.0
605.27600	3.9
606.29108	1.1
608.26233	1.5
623.28552	100.0
624.29004	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20443	0.5
65.02336	0.6
72.33788	0.5
77.96739	0.6
120.08087	0.7
209.10689	1.1
211.12357	0.6
224.13072	0.9
225.13852	1.2
249.13834	0.8
252.15514	0.5
311.13797	0.9
326.16492	0.7
378.18365	0.6
389.17664	1.1
390.18274	0.9
392.19946	0.9
403.15082	0.7
403.19730	0.7
405.16513	0.7
405.21280	1.3
406.21402	0.7
407.22607	0.7
416.20499	0.8
417.16730	1.0
418.17715	2.2
419.18533	1.5
420.23444	0.8
421.24448	0.8
429.21188	0.9
431.14511	0.8
432.19400	2.0
433.15622	0.9
433.20282	1.8
434.16373	0.7
434.21292	1.1
435.22104	1.2
446.17343	1.9
447.17239	4.7
448.18704	5.0
448.23273	1.7
449.18826	1.0
449.23883	1.1
450.23990	0.8
459.21957	0.7
460.18317	1.1
461.19177	5.1
462.19846	6.0
463.21188	7.8
473.23862	0.7
475.21176	4.8
476.21680	11.8
477.22806	10.0
478.23383	4.8
485.23001	0.8
487.25497	0.8
489.22528	2.1
490.23132	1.7
491.24442	1.4
504.21030	1.9
505.26447	0.8
516.20886	0.7
516.57843	0.7
517.22229	0.8
521.22186	2.0
531.24432	0.8
534.22113	1.1
535.23657	3.3
536.23596	6.3
537.24780	1.4
545.25653	2.3
547.27460	2.8
548.23907	2.2
549.25146	5.1
550.25659	2.8
563.26373	12.7
564.27094	7.4
576.23352	1.1
579.29639	1.6
580.26184	1.0
591.26025	11.0
594.24219	5.8
595.29181	3.8
605.27539	4.9
606.27649	0.9
608.26154	3.5
623.28467	100.0
624.28925	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.05511	0.9
67.05502	1.5
69.07038	0.6
70.97032	1.3
74.09722	1.0
75.78790	0.5
77.88000	0.5
79.05499	1.6
79.23482	0.5
81.07065	2.0
91.05475	1.8
93.07051	1.2
93.48589	0.8
95.08620	1.1
105.07033	2.3
107.08560	1.2
109.10159	1.3
111.93082	0.5
117.07003	0.6
119.08628	1.4
121.10140	0.9
123.18979	0.7
131.08517	1.1
133.10162	0.8
135.11688	0.6
145.10133	0.9
147.11726	0.8
159.11784	0.7
218.60127	0.6
267.10330	0.7
268.10397	0.6
271.16806	0.6
284.69324	0.5
339.16248	1.2
344.50351	0.5
388.17749	0.6
389.18481	0.6
390.17801	0.7
391.18939	0.8
401.17929	0.8
404.20502	1.0
405.20874	0.8
413.17850	0.8
414.18628	1.2
415.19342	1.5
416.20187	0.9
417.21155	1.4
419.10617	0.8
419.22934	1.1
427.18753	1.1
428.20206	1.5
429.16696	0.6
429.20944	5.9
431.18628	1.0
433.19385	1.3
433.24493	1.3
434.21503	0.7
443.22781	3.3
444.23212	2.1
445.19580	1.0
445.24673	1.0
447.21884	1.6
448.21692	0.7
449.23135	1.8
450.20816	0.6
456.19406	0.7
457.19202	0.7
457.24173	1.7
458.25275	2.9
459.21729	3.7
460.22467	2.0
461.18701	1.0
461.23550	2.2
462.20520	1.0
463.21091	0.8
471.22125	1.1
472.22610	4.4
473.23474	2.5
474.20483	0.8
475.21423	1.8
476.21378	2.8
477.22531	3.4
485.23480	5.6
486.23941	1.2
487.25363	4.0
489.22662	1.5
503.24359	3.2
516.22168	0.6
517.26074	4.2
519.24164	1.2
521.21808	0.9
531.23975	3.9
535.26105	1.4
545.25494	43.4
546.25903	2.0
562.25403	0.6
563.26178	16.9
564.27576	0.9
575.77588	0.6
577.28253	1.0
595.28888	1.1
605.27606	5.1
623.28625	100.0
624.29382	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
57.52397	0.3
59.46766	0.3
67.05493	0.4
69.26586	1.1
79.05491	0.6
81.07075	0.5
91.05498	0.8
93.07055	0.5
95.08636	0.3
95.96729	0.3
100.17582	0.2
105.07053	0.6
119.08612	0.3
131.04927	0.3
145.10115	0.5
159.11780	0.4
175.03938	0.5
195.09206	0.3
203.07112	0.6
211.07593	1.5
227.10728	0.4
229.08607	2.2
239.07225	0.6
245.08183	0.4
257.08121	5.3
330.13818	0.3
378.28925	0.3
387.16220	0.5
388.16678	0.4
389.17792	1.4
390.18274	0.5
391.19180	0.6
401.17773	1.1
402.10352	0.6
402.18619	1.5
403.10938	0.4
403.19366	2.8
404.19974	0.9
405.20801	2.1
415.19626	1.4
416.15579	0.5
416.20273	1.0
417.16968	2.0
417.20938	2.8
418.21808	0.8
419.22610	4.4
420.22769	0.6
428.16382	0.6
429.17218	1.5
430.17911	1.0
430.22525	0.4
431.17758	4.2
431.23022	1.7
432.19089	1.8
433.20215	2.5
435.22083	0.6
442.17706	0.5
443.18634	4.0
444.18887	1.6
445.20181	9.4
446.21051	5.2
447.21985	4.9
449.23877	1.5
450.24182	0.3
457.20349	1.3
458.21048	1.4
459.21851	3.9
460.22922	0.7
461.18591	1.3
462.20618	1.6
463.21335	2.5
471.21964	0.4
473.23340	0.9
475.20972	1.5
476.22028	5.3
477.22983	7.2
478.23776	0.4
483.18250	0.8
489.23199	2.0
490.23669	0.7
491.20816	0.8
501.22714	0.5
503.24884	0.7
505.22104	1.0
505.26944	0.3
508.24750	0.5
517.22980	0.5
518.23059	0.3
519.24359	0.4
521.21436	1.4
531.23914	0.5
532.24878	0.4
533.25549	14.9
534.25879	0.5
535.26837	0.9
545.25580	1.2
548.23926	0.4
560.25366	0.3
563.26581	15.3
564.26660	0.7
565.28320	0.5
592.26508	0.4
593.27600	3.9
605.28467	2.3
623.28705	100.0
624.28986	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	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79353	0.3
66.70670	0.2
70.67879	0.8
79.05526	0.3
85.42409	0.3
91.05499	0.3
95.08628	0.3
97.90386	0.3
112.75938	0.3
259.48410	0.3
275.03760	0.3
311.40723	0.3
375.16263	0.5
376.16934	0.7
389.18195	0.5
390.18832	0.7
391.11606	0.7
391.19388	0.9
393.20929	0.4
404.16150	0.7
405.21097	2.3
415.19266	1.1
416.20102	0.4
417.20679	0.7
419.11136	5.7
419.18741	1.2
420.23260	1.3
421.24042	0.9
429.21204	1.8
430.21857	0.7
431.18146	0.5
433.19653	3.1
435.21979	0.9
443.22540	1.3
444.23459	0.7
445.24301	0.9
446.17136	0.6
447.17758	6.2
448.23215	2.0
449.23495	2.0
452.22214	0.5
458.24979	0.7
459.21600	2.7
460.22644	1.1
461.19373	5.9
462.20343	0.7
463.21524	1.5
470.21738	0.4
472.22552	1.1
473.23505	1.2
475.21072	2.1
476.22083	16.8
477.22708	2.3
479.21115	1.0
485.23453	3.3
486.24380	0.4
487.25586	1.4
489.19180	1.0
490.23749	0.4
500.21887	0.4
503.25241	1.8
513.22705	0.6
515.24353	1.0
517.26764	0.7
519.23627	1.7
521.25513	0.9
531.24011	4.0
535.23663	0.5
536.24426	0.5
545.25488	10.9
546.25842	0.8
547.27124	0.6
549.25165	1.3
559.23486	0.8
563.26550	6.0
564.26715	0.5
591.26166	5.4
605.27551	2.2
623.28723	100.0
624.28967	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	623.2845
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
51.62410	0.5
55.05505	0.8
55.76810	0.6
58.19783	0.5
63.31234	0.5
67.05500	1.3
69.07055	0.6
71.58708	0.8
71.59115	0.9
76.35778	0.5
78.64759	0.6
79.05494	1.3
81.07042	1.3
91.05493	2.3
93.07066	1.0
95.08591	1.1
105.07027	1.6
107.08622	0.7
109.10184	0.8
119.08582	1.2
122.81695	0.5
129.69226	0.7
145.10112	1.1
148.57596	0.6
160.58905	0.6
285.55344	0.6
360.23727	0.6
374.02536	0.6
391.11520	2.6
391.19370	1.0
399.15903	0.7
400.17688	0.5
404.20959	0.8
405.21072	0.8
413.17520	1.0
414.18417	1.0
415.19373	2.6
416.20239	1.2
419.11057	33.2
419.22864	1.2
427.19791	0.6
428.20142	1.3
429.20770	6.9
430.21793	1.5
431.18124	1.0
433.20212	1.7
433.24829	0.8
434.21130	0.9
442.21704	1.3
443.22711	4.1
444.23767	2.9
445.24326	1.8
447.17029	0.9
447.21939	2.2
449.23352	1.8
456.19553	0.8
457.19562	0.9
457.24768	0.7
458.24915	3.0
459.21417	4.7
460.13754	1.1
460.22583	2.5
461.19226	1.7
461.23846	2.4
462.20526	1.8
463.21390	0.8
470.21124	0.6
471.22458	1.3
472.22791	4.7
473.23871	3.2
475.20715	0.8
476.21948	3.4
477.22925	4.8
485.23511	5.7
486.24240	1.1
487.25287	4.7
489.22849	1.9
503.24832	3.2
517.26160	3.3
519.23944	1.2
520.24457	1.0
521.25421	0.6
531.24017	6.8
535.27014	0.8
545.25537	49.6
546.25964	2.4
563.26538	24.6
564.27301	1.0
577.28424	1.1
591.26801	2.6
595.30389	0.8
605.27655	17.8
606.27515	0.8
623.28900	100.0
624.29449	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	623.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.2
55.24483	0.8
59.06110	1.4
67.05512	5.1
69.03452	0.9
69.07068	1.7
69.20953	8.2
72.08130	0.8
79.05499	5.8
81.03426	6.4
81.07067	4.8
83.08583	1.2
91.05494	6.6
93.07026	4.9
95.04935	2.2
95.08591	3.4
105.07014	3.8
107.04948	1.8
107.08602	2.9
109.06521	1.1
109.10136	1.7
117.07018	2.6
119.08611	2.0
120.08107	1.0
121.10172	1.3
129.06984	1.8
131.08560	2.4
133.06477	1.1
133.10129	1.8
135.11659	1.2
145.10094	2.6
159.11655	1.6
160.05196	0.9
161.05978	1.8
163.11241	1.2
171.11670	1.4
173.05969	2.1
175.45323	0.9
203.03560	1.0
203.07101	1.4
227.12784	1.1
257.08026	1.7
259.09525	1.3
271.13065	1.2
275.09406	1.0
275.19992	1.0
375.16049	1.5
376.17212	1.0
377.17569	2.9
386.15152	1.3
387.16180	1.0
389.18085	1.5
390.18860	1.4
391.19275	4.3
392.19830	2.6
393.20694	2.2
399.15887	2.6
400.16919	1.5
401.17792	5.1
403.19287	1.6
404.20511	1.2
405.20996	2.2
406.21576	1.5
407.22403	5.9
413.17575	3.0
414.18866	1.9
415.19504	7.5
416.20135	2.1
417.20923	1.7
419.18353	1.9
419.22922	1.4
421.19958	4.3
425.17786	1.5
427.19528	1.5
428.19824	3.6
429.20831	2.6
430.21866	1.8
431.18521	1.6
435.21719	2.4
441.16855	1.3
443.22284	4.4
444.19254	3.6
445.20187	2.9
446.20917	1.7
447.17532	4.5
448.18585	2.1
449.19424	1.1
456.19479	1.9
457.20377	2.5
458.20972	2.1
459.17731	1.8
461.19620	3.5
462.20294	2.6
463.21066	4.7
469.16779	1.0
471.22537	7.7
472.22696	2.2
473.19348	3.2
473.29977	0.9
474.20416	2.4
475.16214	1.3
475.21378	3.2
477.23032	1.7
483.21893	1.1
484.19019	1.7
485.19617	3.0
486.20645	4.8
487.17499	1.2
489.22421	8.2
490.19199	5.5
491.20154	4.6
499.21472	19.1
500.19333	1.4
501.23477	5.5
503.21103	4.8
507.23807	2.5
508.23929	1.4
513.18988	2.6
514.19739	1.7
516.21686	1.6
517.22388	14.4
518.22327	1.6
527.20624	3.7
529.22363	13.2
535.23499	3.9
536.24347	1.3
545.21863	57.1
546.22095	1.6
547.26929	2.1
549.24310	1.3
550.25836	2.5
555.20160	2.1
563.23199	3.9
564.23828	1.6
573.21362	18.4
577.24481	1.2
579.28937	1.3
591.24139	1.0
595.24811	1.3
605.23932	100.0
606.24261	3.5
623.24902	100.0
623.41510	3.9
624.25195	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	623.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22058	0.1
52.51341	0.1
67.05493	0.1
69.03408	0.2
69.59373	0.7
70.06580	0.1
71.04969	0.1
79.05474	0.2
81.03403	0.2
81.07038	0.3
84.08150	1.0
85.02885	0.3
85.08464	0.2
89.03909	0.3
93.07056	0.1
95.08588	0.3
97.02864	0.2
98.21602	0.1
105.07014	0.2
107.08618	0.1
109.02867	0.2
109.10107	0.2
115.05481	0.1
117.03376	0.7
119.08533	0.1
121.06513	0.1
121.10134	0.1
127.03960	0.1
134.03651	2.6
137.02344	6.1
141.06976	0.7
145.02832	1.4
149.05949	0.3
154.02556	0.1
155.04893	0.1
157.06520	0.2
169.06464	0.5
175.03909	0.2
177.05481	3.1
181.06519	0.5
183.04414	0.5
185.05977	0.2
186.06747	0.7
196.05107	0.2
197.05991	1.8
213.05481	3.7
214.06248	3.1
224.04657	0.1
225.05482	7.1
226.05930	0.1
229.08588	1.3
241.04990	0.2
242.05713	0.6
253.04973	7.0
257.08240	0.4
269.04440	2.3
269.07196	0.2
270.05243	18.0
271.05508	0.2
285.07587	100.0
286.07901	1.0
288.70062	0.1
315.08658	0.2
321.09781	0.3
339.10785	0.1
373.30667	0.2
374.30899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55828	0.4
54.66448	0.5
70.99758	0.4
74.25099	0.5
78.79984	0.4
83.09756	0.5
84.44876	0.4
98.20693	1.0
132.08112	0.9
144.07982	0.7
168.08109	0.7
183.09158	0.7
209.10765	1.0
211.08778	0.7
221.10780	0.9
223.08644	0.7
223.12408	0.7
224.13159	0.6
225.10255	0.7
225.13808	0.8
233.10706	0.6
235.12279	0.8
237.10231	1.0
237.13945	0.7
237.21786	0.5
238.14268	0.5
251.11922	0.6
261.13974	0.5
300.15259	0.6
310.13489	0.4
316.10672	0.7
338.12900	0.8
375.16391	1.4
388.13156	0.9
388.17795	0.6
389.17642	2.0
390.18610	1.1
391.19321	1.5
402.14426	0.8
403.15146	1.4
403.19495	1.5
404.16260	1.0
404.20911	0.8
405.20889	1.7
406.21686	0.5
414.17300	0.6
416.16037	1.0
417.16824	3.4
417.21954	0.6
418.17786	2.7
419.18311	1.0
419.23068	1.0
420.23175	0.8
423.18292	0.6
429.17078	0.6
431.14069	0.8
431.18881	1.6
432.19833	2.4
433.20569	3.3
434.20917	0.7
445.15756	3.0
446.16830	3.4
447.18158	7.2
447.22607	3.5
448.18027	1.0
448.23416	0.8
449.23776	1.0
459.18369	2.0
460.18695	3.8
461.19470	9.5
462.20474	5.4
473.19537	1.5
474.20520	1.1
475.21332	21.7
476.22122	11.5
477.23132	8.1
479.24619	0.8
488.22906	1.0
489.23331	2.3
490.23956	0.6
493.22348	0.6
501.18863	0.5
503.20212	3.4
504.21579	0.6
507.24213	0.9
519.24139	0.9
521.22174	0.7
533.22113	1.5
534.25214	0.8
535.23169	13.0
536.23926	2.2
547.23309	3.5
548.24072	1.4
549.24915	1.7
562.25647	10.0
563.26508	16.7
564.26459	0.7
566.29242	0.8
575.22778	1.2
579.26117	2.0
590.25006	5.9
591.25946	0.6
593.24286	4.3
594.28461	4.5
605.27747	1.0
607.25568	4.5
622.27850	100.0
623.28546	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	623.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52296	0.1
61.95227	0.2
69.01471	0.1
69.03448	0.1
69.27484	1.2
79.05525	0.1
81.03424	0.4
89.03929	0.4
91.05515	0.1
105.07063	0.2
107.02795	0.1
109.02876	0.2
117.03411	0.9
134.03639	2.8
137.02341	6.3
137.27705	0.1
141.07002	0.6
145.02837	2.1
145.03967	0.1
147.04413	0.2
149.05986	0.4
155.04916	0.3
155.29500	0.1
157.89677	0.1
158.07280	0.1
169.06471	0.6
175.03825	0.1
177.05479	4.8
179.03595	0.1
181.06421	0.2
183.04405	0.2
185.06049	0.1
186.06686	0.7
196.05292	0.3
197.05984	2.1
203.32381	0.1
213.05472	3.8
213.07434	0.3
214.06248	3.2
224.04669	0.1
225.05476	8.0
229.08662	1.2
241.04982	0.2
242.03589	0.1
242.05669	0.7
253.04973	12.2
257.08148	0.3
269.04431	2.3
270.05237	19.3
271.05661	0.3
285.07578	100.0
286.07941	1.0
315.08865	0.3
321.09756	0.4
339.10883	0.2
540.71979	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	622.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73300	0.9
53.03959	1.2
55.50695	1.0
65.66856	1.0
67.05482	2.2
69.20119	9.8
79.05488	2.0
81.07057	1.0
85.02912	1.1
91.04959	1.6
91.05488	19.5
93.07048	1.3
97.02871	1.6
103.05445	2.7
105.07034	21.0
109.06584	1.3
117.07047	1.4
121.10123	1.3
127.03902	1.1
133.10072	1.0
135.16911	0.9
135.82858	0.9
149.09592	1.0
161.06006	3.0
173.06027	2.2
175.07451	1.7
176.24928	1.0
179.08556	1.5
181.10129	1.8
189.05475	3.1
191.08614	1.3
201.05498	8.8
203.06996	2.1
203.10738	2.1
209.09563	1.3
213.09232	1.2
215.10771	1.6
237.09152	2.5
239.10645	1.4
243.10191	4.2
249.08966	1.6
249.59659	1.0
251.10710	2.5
267.10184	33.1
269.01846	1.1
279.10199	8.6
293.15302	2.4
293.65125	1.1
321.11374	1.7
321.14902	23.0
339.15945	100.0
340.16156	1.6
357.16983	3.5
368.68610	1.1
428.41589	1.1
474.94513	1.0
587.21039	3.0
621.47687	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73300	0.9
53.03959	1.2
55.50695	1.0
65.66856	1.0
67.05482	2.2
69.20119	9.8
79.05488	2.0
81.07057	1.0
85.02912	1.1
91.04959	1.6
91.05488	19.5
93.07048	1.3
97.02871	1.6
103.05445	2.7
105.07034	21.0
109.06584	1.3
117.07047	1.4
121.10123	1.3
127.03902	1.1
133.10072	1.0
135.16911	0.9
135.82858	0.9
149.09592	1.0
161.06006	3.0
173.06027	2.2
175.07451	1.7
176.24928	1.0
179.08556	1.5
181.10129	1.8
189.05475	3.1
191.08614	1.3
201.05498	8.8
203.06996	2.1
203.10738	2.1
209.09563	1.3
213.09232	1.2
215.10771	1.6
237.09152	2.5
239.10645	1.4
243.10191	4.2
249.08966	1.6
249.59659	1.0
251.10710	2.5
267.10184	33.1
269.01846	1.1
279.10199	8.6
293.15302	2.4
293.65125	1.1
321.11374	1.7
321.14902	23.0
339.15945	100.0
340.16156	1.6
357.16983	3.5
368.68610	1.1
428.41589	1.1
474.94513	1.0
587.21039	3.0
621.47687	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78904	0.4
61.82193	0.4
65.03941	0.7
67.05483	1.1
69.78500	2.1
81.03401	0.7
81.07030	0.5
85.02892	0.7
85.06545	0.5
91.05486	29.4
92.81121	0.4
96.26821	0.5
103.05489	0.6
105.03390	1.0
105.07049	4.3
107.08586	0.5
115.05437	0.6
131.04938	1.1
141.07018	0.5
161.05959	1.3
165.06937	1.1
166.07764	1.6
177.05522	0.6
178.07851	1.1
179.08525	2.2
181.10083	2.8
183.08099	0.6
185.09595	0.5
189.05469	6.0
191.08546	1.4
193.10194	0.6
194.07268	1.2
201.05420	1.3
203.10657	0.9
207.08080	1.1
209.09625	2.9
211.07545	0.9
211.11102	0.5
213.09277	0.7
215.07237	0.8
215.10762	0.7
217.08617	1.0
219.08012	1.2
224.08351	0.8
225.09077	0.5
237.09074	5.0
239.10698	3.7
243.10167	2.1
244.36958	0.5
249.09123	1.8
251.10667	0.6
253.08530	0.4
255.10175	1.3
267.10181	82.0
268.10443	0.8
279.10327	2.2
281.83600	0.6
285.11246	11.5
293.15384	0.7
295.13345	2.3
295.16534	0.6
321.14862	10.6
339.15945	100.0
340.16208	1.3
357.17007	9.4
419.30301	0.5
428.80289	0.4
492.52670	0.6
535.47626	0.5
546.67145	0.5
587.21436	5.6
644.56073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.271
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.09100	0.5
67.05511	0.8
69.07068	0.7
71.58684	0.9
81.07044	1.4
93.07054	1.1
95.08611	1.6
107.08627	0.9
109.10195	1.2
119.08596	1.3
133.10143	0.9
147.11743	0.6
164.36075	0.6
203.07216	0.7
244.10335	0.6
375.16034	1.0
387.15997	0.7
388.16721	1.3
389.17673	2.0
390.18573	1.2
391.19479	0.7
401.18005	1.2
402.18854	1.5
403.19412	2.6
404.20111	2.3
405.21005	1.3
415.19498	1.1
417.09503	1.8
417.17017	2.0
417.21356	1.8
419.22504	5.0
420.23203	0.8
430.17474	1.0
431.18683	3.3
431.23032	1.8
445.20425	3.8
446.21313	2.7
447.21817	6.0
459.18320	2.9
460.18835	0.8
461.19882	1.9
473.19644	2.1
474.20233	6.4
475.21307	11.3
487.21338	3.4
488.22180	0.9
501.23093	2.9
501.29486	0.6
505.25998	1.6
518.23676	0.7
533.25690	5.0
546.23193	0.9
561.24994	31.6
562.25165	0.7
565.27802	0.7
589.24658	0.7
621.27118	100.0
622.27576	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	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
59.06121	0.5
63.03767	0.4
67.05509	0.8
69.07059	0.5
71.57906	0.6
79.05515	0.7
81.03450	0.5
81.07049	1.4
85.07665	1.1
91.05495	1.4
93.07034	1.1
95.08636	0.6
105.07034	1.4
107.08600	0.9
109.10157	0.9
119.08586	1.2
121.06537	0.5
121.10151	1.0
133.06532	0.5
133.10147	0.5
143.08560	0.4
145.10170	0.6
151.03938	0.6
164.61511	0.5
167.54639	0.4
203.07094	1.9
211.07626	0.8
225.08900	0.6
229.08635	1.4
243.10378	0.5
257.08020	2.3
303.69583	0.4
375.16263	1.2
376.17041	0.5
387.16449	0.6
388.16830	1.0
389.17761	3.7
390.18445	1.3
391.19583	0.7
401.17990	0.7
402.18723	1.5
403.14798	0.6
403.19559	3.9
404.19885	1.5
405.20712	2.3
415.19461	1.1
416.16190	1.2
417.16235	4.1
417.21268	2.0
418.17300	0.9
418.22202	1.0
419.22540	6.5
429.16690	0.8
430.17770	0.9
431.18289	6.9
431.24136	0.7
432.18875	2.5
433.20239	2.0
443.18549	0.7
444.19543	0.8
445.20209	5.5
446.21017	6.3
447.21796	9.8
448.22287	0.4
459.21756	2.5
460.23151	0.7
461.19965	1.7
473.18768	0.9
473.24084	1.2
474.20502	5.7
475.21323	7.6
487.21426	3.3
488.22498	0.9
491.20441	0.8
501.22900	2.0
503.20261	0.7
505.25815	1.4
519.19849	0.8
533.25531	15.5
546.23199	0.6
561.24988	23.2
565.27301	0.6
593.27405	3.6
621.27136	100.0
622.27393	2.1
633.46918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.23938	0.4
54.39946	0.4
68.54482	0.4
82.89898	0.4
181.91119	0.4
197.64774	0.4
232.93347	0.5
272.14487	0.4
281.27994	0.4
295.38287	0.4
365.15479	0.5
374.15060	0.7
375.16116	1.2
387.16287	1.1
388.16885	1.5
389.17743	3.3
390.18546	1.8
391.19275	1.0
401.18036	1.1
402.18866	1.0
403.19424	5.4
404.19919	2.3
405.20926	3.3
415.19766	0.9
416.16406	1.5
416.20874	0.7
417.17099	3.7
417.21088	2.7
418.17844	1.4
419.22412	7.9
420.23044	1.3
430.17828	0.9
431.18082	6.4
431.23608	1.0
432.19171	2.6
433.20291	2.7
443.19171	0.7
444.19693	0.6
445.20190	7.6
446.20895	6.9
447.21765	8.2
459.22971	2.3
460.18372	0.5
460.23254	0.6
461.19885	1.6
473.19186	1.0
474.20459	7.1
475.21365	8.3
476.22110	0.6
477.22897	0.5
487.21262	3.3
488.22272	1.0
491.20282	0.9
492.25415	0.5
501.22958	1.8
505.25626	1.4
518.23297	0.6
519.20142	0.7
533.25574	14.4
561.25012	19.7
562.25500	0.5
589.24408	1.0
593.27643	3.5
613.29590	0.5
621.27130	100.0
622.27466	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	621.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28829	0.9
56.96291	1.7
56.96568	24.4
69.03425	2.3
70.80301	1.4
70.80637	1.7
71.95251	1.3
76.70830	0.9
84.96055	7.2
85.02920	5.5
85.03399	0.8
97.02919	2.7
98.97591	100.0
101.25928	0.9
106.57883	1.0
110.97580	14.3
112.99165	3.6
116.98627	36.5
116.99437	1.8
124.99128	1.6
127.00658	1.0
128.98627	13.9
128.99580	1.4
129.02267	1.2
131.00179	4.3
134.99666	10.8
137.05991	1.0
140.00208	1.1
140.98622	1.7
143.00168	5.1
144.98137	2.1
145.01746	3.3
146.99640	7.1
147.03320	4.7
147.04399	1.5
149.01254	1.3
152.98618	2.1
158.99667	31.3
161.01231	5.6
162.99193	1.7
163.02773	1.8
165.04326	4.5
167.07091	1.2
170.99695	5.8
171.03362	2.5
173.01300	1.4
174.11302	1.1
175.02879	1.2
177.00720	27.0
179.02336	1.2
181.34096	0.9
189.00746	4.7
189.04350	8.0
193.03954	1.8
195.01724	1.3
200.02242	1.3
201.00803	4.0
201.04425	1.1
205.04034	1.0
207.05482	3.2
219.01770	32.6
219.05130	1.3
223.60408	0.9
227.06909	1.2
231.05496	3.4
237.00424	2.0
237.02838	41.8
238.03403	1.1
243.01959	1.6
243.05370	1.1
249.06584	1.5
253.03912	0.9
260.04437	1.7
267.01816	3.6
285.02786	2.0
291.07529	30.4
291.10599	1.8
295.04929	1.1
309.02933	2.5
309.08578	79.2
332.10095	2.0
369.05219	3.3
387.05914	6.2
415.09271	2.8
453.13040	3.2
459.11774	4.2
603.16150	1.9
621.17102	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92735	0.4
59.77473	0.4
61.32974	0.4
63.85563	0.4
69.26351	3.2
69.26772	0.9
74.09612	3.9
74.36056	0.4
80.95849	0.4
81.06984	0.4
84.06142	0.4
139.49004	0.4
163.48141	0.4
188.23320	0.5
197.10638	0.6
209.10612	0.6
221.10744	0.6
227.11992	0.4
263.18127	0.4
300.15048	0.6
310.13174	0.5
349.11682	0.4
371.13724	0.4
374.15649	1.0
375.15921	1.5
376.17142	0.5
387.15823	1.3
388.16858	1.9
389.17584	4.3
390.18362	1.6
391.19046	0.6
399.81708	0.4
401.17487	1.6
402.14236	0.7
402.18796	1.0
403.19412	6.4
404.20001	3.6
405.20840	2.0
413.17657	1.0
415.19196	1.4
416.15375	2.1
416.20807	0.7
417.16873	4.3
417.20880	3.7
418.21445	1.9
419.22406	9.9
420.23239	0.5
429.16675	0.9
429.21680	0.7
430.17502	2.1
431.18234	9.2
431.23337	0.7
432.19043	2.6
432.43222	0.5
433.20175	1.4
443.18622	1.1
445.20251	9.3
446.20901	6.7
447.21799	12.1
456.19553	0.6
457.20993	0.5
458.21011	0.6
459.17090	1.3
459.21838	2.7
460.17999	0.8
460.23218	0.8
461.19543	1.2
463.21140	0.5
473.19571	1.6
473.24194	0.6
474.20435	12.9
475.21320	16.6
476.21768	1.0
487.21414	4.4
488.22150	2.0
491.20453	0.9
501.22794	2.9
502.23376	0.6
504.21271	0.6
505.25879	1.6
518.22748	0.8
529.22388	1.1
533.25592	12.9
546.22772	1.7
561.24994	85.8
562.25439	2.5
589.24457	3.3
593.27679	3.0
621.27130	100.0
622.27435	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	619.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01866	3.0
55.05509	3.4
57.07066	1.8
59.06112	0.9
61.02929	4.8
62.01310	0.8
65.03945	1.1
67.05511	4.8
69.03410	1.2
69.06777	0.7
69.07073	7.2
69.31458	2.0
69.31874	6.3
71.01359	1.3
71.22575	0.9
72.40220	0.9
75.14326	0.7
79.05497	6.6
81.03428	2.4
81.07053	11.0
83.04977	1.8
83.08629	1.4
85.02950	0.9
87.04477	3.9
91.05486	12.7
93.07057	9.6
93.80452	0.7
94.73420	0.8
95.01327	1.0
95.04978	8.2
95.08612	6.9
97.02911	1.7
97.06544	1.0
97.10173	0.9
99.69244	0.8
101.02392	1.0
105.07035	11.5
107.04951	3.5
107.08594	8.9
109.02891	1.5
109.06489	4.2
109.10171	8.2
111.11689	0.8
115.05410	1.3
117.07012	2.9
119.04948	0.8
119.08585	10.6
120.52199	0.8
121.06499	3.3
121.10148	5.3
123.08096	1.5
123.11691	2.0
128.06223	1.7
129.07001	4.4
131.04951	1.0
131.08591	6.4
133.06471	2.8
133.10143	6.2
135.04420	1.9
135.08049	3.3
135.11705	3.4
137.06017	0.8
137.13284	1.4
141.07001	1.6
142.07784	1.5
143.08572	4.8
145.06511	5.3
145.10164	4.6
147.04375	1.9
147.08063	5.2
147.11681	4.1
148.64262	0.9
149.02348	3.2
149.13248	2.0
151.03958	1.4
153.06964	1.2
155.08566	4.0
157.06497	2.8
157.10150	6.6
159.08058	2.9
159.11674	4.7
160.05228	1.3
161.02347	4.9
161.06000	6.6
161.09627	2.3
161.13249	2.5
163.03902	2.2
163.14816	1.3
167.03395	1.4
167.08589	1.3
169.10023	4.1
171.08038	3.5
171.11621	3.8
173.06001	2.6
173.09663	2.4
173.13220	3.1
175.03842	1.6
175.07576	3.3
175.11134	1.0
175.14857	2.5
177.05434	1.1
177.12773	0.9
179.08522	2.1
181.06497	1.7
181.10094	1.2
182.07310	1.5
182.10817	0.9
183.08052	2.4
183.11674	2.6
185.05972	3.9
185.09650	2.3
185.13242	2.0
187.03908	2.7
187.07600	2.2
187.11205	1.8
187.14862	1.3
189.05490	3.5
189.09091	2.3
195.08017	1.1
197.09703	3.9
197.13225	2.1
199.07536	1.9
199.11206	1.0
199.14890	1.2
201.05518	1.1
201.09117	2.5
203.07047	81.7
203.18022	1.3
204.07390	2.1
207.11708	1.4
209.09625	1.2
209.13373	1.0
210.06917	0.9
211.07607	1.8
211.11308	1.5
211.14822	1.8
213.09145	1.9
213.12750	1.1
213.16362	5.2
215.07025	1.8
215.10635	1.6
215.14172	1.0
217.08592	3.7
223.07582	1.1
223.11337	0.9
225.09167	2.3
225.12701	1.0
225.16377	2.3
227.14336	0.8
237.12834	1.3
239.10664	1.1
241.08643	1.6
243.10188	100.0
251.14487	1.0
251.17984	0.9
253.08589	1.7
253.19438	1.0
257.11652	1.3
267.10193	2.4
269.08121	2.7
271.13235	0.9
271.17197	1.0
271.20612	1.8
281.19101	0.9
283.09839	1.1
297.11008	2.0
307.20667	1.6
309.18536	2.1
311.16415	2.0
315.00296	0.9
327.19519	1.7
341.21136	2.2
359.22165	10.9
367.22668	4.9
385.23795	2.1
398.13394	0.9
399.13965	1.2
399.25269	1.4
417.26331	1.5
451.15543	1.0
473.26883	1.9
498.06021	1.0
551.27325	1.1
569.28827	2.9
587.29517	2.6
601.31079	3.6
619.33093	20.1
619.42847	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	619.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03943	0.9
55.01859	1.6
55.05513	2.4
57.07069	0.9
61.02929	2.8
65.03925	0.8
67.05509	3.4
69.03423	1.0
69.06718	0.7
69.07072	9.4
71.01350	0.9
71.08622	0.8
71.09218	0.8
79.05492	4.5
81.02987	0.5
81.03425	7.7
81.07066	6.6
83.04998	1.0
83.08600	1.0
87.04442	1.0
91.04958	0.7
91.05488	6.8
93.03402	0.7
93.07049	5.9
95.01340	1.0
95.04961	3.1
95.08605	5.6
97.02923	0.6
97.06575	0.5
101.02390	0.6
103.03883	0.5
103.05465	1.0
105.03422	0.4
105.07047	7.2
107.04959	2.3
107.08602	6.3
109.02236	0.5
109.02898	6.4
109.06530	2.8
109.10165	5.4
111.04446	1.2
112.78556	0.4
115.05421	1.0
115.76448	0.4
117.07053	2.1
119.04916	1.0
119.08588	5.5
120.84538	0.4
121.02867	0.6
121.06502	1.6
121.10192	3.0
123.00746	0.8
123.08080	0.4
123.11697	1.7
128.06204	1.4
129.07013	4.8
131.04898	2.0
131.08583	4.6
133.02832	0.7
133.06508	2.2
133.10153	3.0
135.04465	0.7
135.08049	0.5
135.11694	1.9
140.48636	0.4
141.05463	1.7
141.06990	3.5
142.07793	1.1
143.08574	3.5
145.06494	2.1
145.10149	2.8
147.04405	1.7
147.08043	5.1
147.11690	4.3
149.02382	2.2
149.05995	0.7
149.13274	1.1
151.03981	0.5
153.05466	0.6
153.07013	1.2
154.07777	0.9
155.08577	4.2
157.06526	3.9
157.10091	2.2
158.07303	0.5
159.08063	2.1
159.11684	1.7
160.05238	0.7
161.02356	5.0
161.05989	3.8
161.09625	0.9
161.13263	1.3
163.03909	1.7
165.06972	0.9
167.03427	0.9
167.08592	1.4
169.05127	0.5
169.06500	1.5
169.10152	3.0
170.10696	0.5
171.08026	2.3
171.11736	1.4
173.05981	2.1
173.09618	1.4
175.03902	1.6
175.07565	3.0
175.11316	0.5
175.14839	0.5
177.05533	1.0
177.09067	0.9
177.12636	0.6
177.16383	0.7
178.07797	0.9
179.08554	1.5
181.06442	1.2
181.10101	1.3
182.07237	0.7
183.08110	3.0
183.11674	2.3
185.05972	4.8
185.09641	1.2
185.13234	0.8
187.03909	1.9
187.07538	1.3
187.11212	0.9
187.14867	1.0
189.05473	1.4
189.09100	1.8
189.16388	0.9
191.06995	0.6
193.10222	0.6
195.08026	2.0
195.11736	0.7
197.09654	2.2
197.13272	1.6
199.07574	1.4
199.11203	0.8
199.14853	0.7
201.09145	1.4
201.16435	1.2
203.07043	100.0
203.17972	5.4
209.09665	1.0
211.07590	0.5
211.11165	0.7
211.14833	0.6
213.09160	0.8
213.16347	0.6
215.07051	1.1
215.10681	2.4
215.14172	0.6
217.08611	1.2
217.11993	0.5
223.07574	0.7
223.11191	1.5
225.09094	1.3
225.12711	1.0
226.06242	0.4
227.06911	0.5
227.10641	0.8
227.17900	0.6
229.08612	1.0
229.12376	0.5
229.19489	0.5
229.31108	0.4
239.14273	0.8
239.17912	1.0
241.08627	2.9
241.12212	0.5
241.19264	0.5
243.10184	30.9
243.13983	0.8
247.10971	0.5
253.15926	0.5
253.19431	0.6
254.05692	0.4
255.06697	0.4
255.10233	0.7
257.07999	0.5
257.11694	1.0
259.20621	1.6
267.17532	0.5
269.08145	4.6
271.09674	1.5
271.13437	0.7
281.18777	0.6
283.13257	2.1
283.16812	0.7
285.18378	0.5
287.09073	0.5
297.11176	0.6
297.18671	0.6
299.20026	2.5
307.20602	1.0
309.18542	0.6
319.13495	0.4
321.22076	0.5
327.19785	0.6
331.22629	0.7
349.14502	1.0
349.21399	0.5
359.22134	1.4
365.21243	0.6
367.22736	8.7
371.16190	0.5
375.19641	0.9
385.23792	0.6
397.12833	0.9
399.25421	1.0
415.13974	3.3
417.26273	0.7
425.23495	0.9
429.15735	0.5
443.24985	0.7
459.25275	1.0
460.25827	0.5
461.26981	0.8
525.29657	0.5
551.27246	0.6
569.28485	2.2
583.30481	1.0
587.30316	1.0
601.31561	1.1
619.23578	0.8
619.32819	11.1
619.42383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71916	0.6
53.03939	1.7
53.63304	0.6
55.01877	3.4
55.05513	3.4
57.07069	1.8
61.02932	1.1
65.03930	0.9
66.54769	0.7
67.05500	4.5
69.03432	1.3
69.07076	13.3
69.07443	0.8
71.08653	1.4
72.08114	0.7
74.09740	0.8
79.05495	4.0
81.03423	4.3
81.07066	8.5
83.04972	0.9
83.08633	1.7
85.06558	0.7
87.04470	1.3
91.05476	8.8
93.07051	7.2
95.01357	1.1
95.04976	5.9
95.08602	6.6
97.02899	0.8
97.10135	0.7
98.20734	1.7
101.02383	0.7
103.05478	0.7
105.07047	9.8
107.04968	2.1
107.08600	6.5
109.02904	1.2
109.06571	3.0
109.10165	6.5
111.11729	2.3
115.05466	1.5
117.07014	3.6
119.08588	9.3
121.02877	0.8
121.06494	2.8
121.10153	2.8
123.11707	2.3
128.06274	1.6
129.05540	0.8
129.07027	4.5
130.07819	1.3
131.04980	0.9
131.08566	4.2
133.02829	0.9
133.06490	2.1
133.10179	3.8
135.04379	1.7
135.08047	3.3
135.11716	1.9
137.13260	1.0
141.07030	1.6
142.07782	1.1
143.08557	3.7
145.06497	1.8
145.10117	4.0
147.04417	2.1
147.08076	10.3
147.11633	3.1
149.02333	2.5
149.13269	2.1
151.03902	1.9
154.07813	1.0
155.08577	2.7
156.09337	0.7
157.06490	1.9
157.10118	2.7
159.08087	3.4
159.11748	3.2
160.62540	0.6
161.02377	5.7
161.05988	6.4
161.09634	3.2
161.13252	1.9
163.03908	2.4
165.07056	0.7
167.03386	1.8
167.08476	1.4
169.06464	1.2
169.10101	3.1
171.08063	2.9
171.11711	1.4
173.05983	1.7
173.09656	1.8
173.13339	1.1
175.03868	1.3
175.07544	1.7
175.11192	1.0
175.14851	1.3
177.16510	0.7
179.08597	1.2
181.10098	1.5
182.07320	0.8
183.08095	3.1
183.11728	1.0
185.05975	4.8
185.09634	1.8
185.13266	0.9
187.07544	2.3
187.11218	2.5
187.14807	1.0
189.05464	1.4
189.09084	3.7
189.16379	1.3
191.03337	0.7
195.08125	3.9
195.11713	1.2
197.09666	4.5
197.13301	1.4
199.07593	2.5
199.11183	1.4
201.09187	1.3
201.12680	0.8
203.07047	100.0
203.17940	1.0
209.09601	1.5
211.07579	1.5
211.11279	1.3
211.14749	0.9
213.09135	2.6
213.12645	1.0
215.14310	0.9
217.08615	0.9
219.11923	0.7
223.07683	0.8
223.11226	1.4
223.14922	0.8
225.09106	1.4
225.12680	1.0
229.08647	0.8
237.09132	2.6
237.12869	1.4
239.10640	1.1
239.14450	0.8
241.08650	1.8
241.12238	1.3
243.10185	20.8
251.10585	0.8
251.14297	1.4
253.08614	1.3
253.19572	0.8
255.10286	2.0
255.17406	1.0
257.11783	4.8
267.10297	1.4
269.08142	3.1
269.11740	0.8
269.18854	1.2
271.09546	1.5
271.20602	10.8
279.17593	1.1
283.09818	1.3
283.13214	1.1
287.09094	0.8
295.17014	1.2
297.11404	1.2
297.18539	2.6
307.20462	1.8
311.13013	1.2
311.16403	6.3
319.13159	1.0
327.19797	0.8
337.14273	2.2
356.49261	0.8
359.22101	0.7
363.15610	0.9
367.22723	4.8
369.54355	0.7
375.19498	0.8
385.23712	4.3
387.15851	0.8
393.20642	1.3
399.24954	4.4
417.26334	3.0
455.25919	1.5
471.25394	2.9
473.27042	7.6
551.28235	0.7
569.29089	3.6
587.29938	2.4
601.31415	1.4
619.22021	1.9
619.32397	10.4
619.43433	3.5
628.86591	0.7
631.90393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
53.45059	0.6
54.55387	0.7
55.01875	1.3
55.05515	2.1
57.07073	1.0
60.74303	0.7
61.02920	2.8
65.92438	0.7
67.05524	4.1
67.56676	0.8
69.03418	0.9
69.07074	8.5
69.91025	3.5
71.01363	1.0
79.05499	3.4
81.03424	7.6
81.07062	7.9
81.95466	0.8
83.08647	1.3
85.02921	0.7
87.04478	2.3
91.05489	7.2
93.07059	5.6
95.01363	1.3
95.04978	2.5
95.08618	5.1
98.20784	1.0
98.21316	1.4
101.02342	0.9
103.05493	1.2
105.07051	6.6
107.04991	1.8
107.08599	5.6
109.02902	6.3
109.06498	2.0
109.10169	4.7
111.04449	0.8
111.11737	0.9
115.05473	0.9
117.07037	2.9
119.08577	6.4
119.20149	0.8
121.06544	1.2
121.10159	3.4
123.04403	1.0
128.06213	1.5
129.07039	3.8
131.04929	1.8
131.08560	3.6
133.06496	2.2
133.10141	1.9
135.04402	1.3
135.11716	1.5
141.05440	2.0
141.07007	2.5
143.08527	3.0
145.06473	3.7
145.10118	2.1
147.04454	2.4
147.08089	4.8
147.11707	4.4
149.02397	1.3
149.05963	1.1
149.13303	1.0
154.07631	0.9
155.08574	3.4
157.06488	3.6
157.10139	2.1
159.08084	2.2
159.11728	1.3
161.02341	5.4
161.06038	4.0
161.09647	1.3
161.13301	1.6
163.03957	2.3
165.06972	0.9
167.03465	1.1
169.10133	2.1
171.08095	1.2
171.11754	1.4
173.06030	2.9
173.09645	1.2
173.13289	1.7
175.03894	1.8
175.07562	1.8
177.05458	1.5
177.09138	1.2
179.08595	1.3
181.06447	1.0
183.08125	2.0
183.11696	1.4
185.05991	3.7
185.09601	1.3
187.03831	2.0
187.11177	1.2
189.05486	1.2
189.09148	2.7
189.16338	1.0
195.08069	1.6
197.09627	2.0
199.07536	1.2
199.14922	1.0
201.09138	3.1
201.16444	1.8
203.07043	100.0
203.17986	4.7
204.07404	1.3
211.07523	1.0
213.16426	1.0
215.07005	1.0
215.10741	1.9
223.07680	1.0
223.11299	1.6
225.09149	1.8
229.08606	1.6
239.18007	1.6
241.08661	2.7
243.10176	30.7
255.10199	1.6
257.19153	1.0
259.20752	1.3
267.39804	0.8
269.08112	5.2
271.09583	2.9
271.12961	0.9
271.20688	1.0
283.13065	1.0
299.20047	2.8
300.99338	0.8
307.13205	1.3
323.09229	1.5
337.10846	1.1
339.23380	0.9
359.22000	1.5
367.22717	8.4
385.24036	0.8
393.20673	0.9
397.12741	1.8
399.25623	1.4
408.32214	0.7
415.13919	9.1
459.25021	1.3
569.28870	2.5
587.29718	1.2
601.31445	2.8
619.32410	13.4
619.42212	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	619.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
53.33971	0.7
55.01862	1.6
55.05526	3.8
57.03418	0.7
57.07064	1.7
59.60932	0.6
61.02912	1.3
67.05511	6.3
68.63252	0.7
69.03402	0.8
69.06725	1.0
69.07074	16.2
69.41138	0.7
70.76865	1.4
70.77205	1.0
71.08617	1.3
79.05491	3.5
81.03407	2.8
81.07065	7.1
83.04982	2.0
83.08606	1.7
87.04456	1.5
91.05479	6.5
93.07039	4.9
95.01313	0.9
95.04966	4.3
95.08606	5.5
97.02892	3.4
101.02377	0.9
105.03360	0.8
105.07034	10.3
107.04951	2.4
107.07953	0.7
107.08594	3.9
109.02890	1.4
109.06507	3.3
109.10150	4.4
110.59218	0.7
111.11713	1.3
115.05492	1.2
117.07011	2.2
119.08591	13.2
121.02858	1.3
121.06480	1.7
121.10133	3.1
123.04423	1.2
123.11703	1.8
128.06235	1.1
129.07031	3.8
131.08559	2.6
133.06461	1.5
133.10097	3.6
135.04405	2.4
135.11678	1.2
139.03870	0.8
141.06978	2.4
142.34558	0.7
143.08591	2.2
145.06483	2.8
145.10114	3.7
147.04367	1.7
147.08063	4.7
147.11694	2.0
149.02350	2.8
149.13264	1.1
154.07779	1.7
155.08577	7.1
156.80397	0.7
157.06503	1.8
157.10132	3.3
159.08052	3.0
159.11687	1.0
161.02332	5.5
161.05983	6.8
161.09598	0.8
163.03917	1.5
165.05598	0.9
167.03380	1.2
167.08553	1.0
169.10135	7.8
171.08086	1.7
171.11687	1.2
173.06071	2.4
173.09656	1.4
173.13235	0.9
175.03807	0.7
175.07533	2.3
179.08592	1.3
181.06514	0.9
181.10109	1.6
182.07298	1.7
183.08115	3.9
183.11647	1.7
185.06039	3.5
185.09604	1.5
185.13300	0.9
187.03871	1.2
187.07495	0.8
187.11183	2.1
189.05493	3.1
189.09158	1.4
195.08084	2.4
195.11761	1.0
196.08966	0.8
197.09663	2.5
197.13293	1.2
199.07532	0.9
199.11177	1.1
201.05435	1.1
201.09135	2.8
203.07042	100.0
203.18019	2.4
209.09641	0.9
213.09100	1.3
213.16428	1.5
215.10718	2.3
217.08612	2.9
223.11140	1.1
225.09132	2.9
241.08562	1.3
243.10184	91.0
244.10703	1.1
245.28287	0.8
253.19472	1.3
263.66046	0.7
269.08014	1.7
271.09631	1.8
271.20605	2.7
283.15292	7.6
299.19891	1.8
307.20425	0.9
308.26462	0.9
311.12802	2.5
327.19559	2.5
339.17804	3.1
359.22351	1.2
367.22742	6.1
385.23746	2.6
473.26874	2.3
569.29449	1.0
587.30029	2.1
616.14764	0.8
619.32764	5.4
619.41803	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01866	2.4
55.05504	3.2
55.06427	0.8
57.07074	1.9
59.06107	1.4
61.02911	2.9
64.22019	0.8
65.03925	1.0
67.05503	5.3
69.03439	1.7
69.07074	9.3
71.01334	1.2
71.08662	0.8
71.56325	0.8
71.56713	1.1
79.05508	5.7
81.03426	5.5
81.07066	9.9
83.04983	1.7
83.08660	2.0
87.04492	4.1
91.05487	6.6
93.07045	7.0
95.04989	3.9
95.08600	7.1
97.02917	1.3
97.10176	1.1
101.02390	0.9
103.05524	0.9
105.07049	10.3
107.04982	4.3
107.08627	5.1
109.06545	5.2
109.10159	6.2
115.05461	1.7
117.07045	2.2
119.04963	1.7
119.08590	10.1
121.02877	1.2
121.06532	2.5
121.10159	3.6
123.04424	1.5
123.08098	1.5
123.11729	1.9
125.09620	0.9
128.06250	2.0
129.06996	6.1
131.04878	1.6
131.08583	5.2
133.06471	1.8
133.10141	4.0
135.04437	3.3
135.08081	1.3
135.11713	2.5
137.05981	1.2
141.05531	0.9
141.07028	3.0
142.07782	1.6
143.08594	4.0
145.06477	6.3
145.10118	4.8
146.48668	0.9
147.04463	2.9
147.08061	5.7
147.11716	2.3
149.02371	2.1
149.13252	1.7
151.03906	1.3
154.07816	2.3
155.08592	3.0
157.06528	2.4
157.10149	4.2
159.08028	5.0
159.11729	3.0
160.05200	1.3
161.02382	4.6
161.05988	5.3
161.09644	2.0
161.13336	1.2
163.03922	3.8
165.07013	1.2
167.03459	2.0
167.08530	1.6
169.10138	4.6
171.08107	3.1
171.11751	2.4
173.05969	4.0
173.09607	2.3
173.13258	2.0
175.03918	1.2
175.07587	2.2
179.08583	2.5
181.06517	2.0
181.10150	1.6
182.07339	1.4
183.08125	3.0
183.11711	1.8
185.06013	3.6
185.09674	1.9
185.13242	1.9
187.03932	3.1
187.07649	1.5
187.11195	1.8
187.14812	0.9
189.05455	6.3
189.09122	2.0
189.16315	1.2
195.06573	1.4
195.11739	1.3
197.09682	3.3
197.13402	1.6
199.07652	3.0
200.04749	1.6
201.05518	2.0
201.09172	3.4
203.07036	80.5
203.17979	2.1
204.07455	1.4
209.09709	1.3
211.07494	2.0
211.11169	1.3
213.09219	1.8
213.16489	2.0
215.10739	3.5
225.09152	4.2
225.16383	0.9
227.07048	1.4
227.17984	1.1
228.07729	1.4
229.08607	1.5
229.19653	1.0
241.08609	0.9
243.10182	100.0
244.10588	1.7
253.19809	1.1
259.09741	1.5
269.08228	2.1
271.09753	1.6
271.20657	3.3
297.11295	1.6
309.18777	0.9
327.19772	2.3
351.16000	2.4
367.22717	4.0
377.23233	1.2
385.23740	2.2
399.25275	1.5
400.12686	1.0
415.14105	3.4
417.26404	1.7
431.14954	1.6
463.17419	4.0
473.26645	1.2
481.18832	0.9
541.29242	0.9
551.27985	1.3
569.29077	6.6
583.30060	1.9
587.30219	5.7
601.31616	16.1
618.50714	1.7
619.32727	29.1
619.43097	2.0
619.52075	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01872	5.1
55.05502	2.1
57.03445	5.0
61.02938	4.0
65.03927	1.0
67.05505	3.7
68.99798	2.3
69.03076	1.4
69.03434	24.5
69.07069	7.3
70.02620	1.3
70.03031	2.8
71.01336	0.7
71.04987	3.2
73.02916	3.4
74.13444	0.7
79.05471	3.9
81.03421	20.5
81.07057	5.7
83.04974	1.5
83.08628	1.4
85.02911	53.3
85.06570	1.5
87.00840	14.8
91.03944	1.4
91.05489	4.6
93.07030	4.2
95.04978	10.4
95.08610	5.6
97.02894	17.3
97.06544	3.9
99.04469	9.0
103.03980	0.8
105.01871	14.9
105.07050	5.1
107.04938	1.4
107.08607	7.1
109.02887	23.7
109.06525	5.6
109.10197	3.4
111.08105	1.0
115.03908	1.0
117.01855	2.2
117.07041	1.1
119.08585	6.5
121.06532	3.7
121.10146	4.0
122.07305	3.3
122.54747	0.8
123.08078	19.1
123.11726	1.0
125.09643	0.8
127.03927	38.9
129.01854	2.3
131.08588	2.2
133.10143	6.9
135.08060	26.4
135.11690	4.8
137.06017	1.4
137.09604	2.0
137.13234	0.8
145.04976	15.4
145.10127	2.5
147.02917	2.3
147.11687	3.7
149.09612	2.0
149.13272	1.7
153.05363	0.9
157.10173	1.4
159.02902	10.4
159.11736	0.9
161.09660	1.7
163.14789	1.0
165.12755	22.0
169.05000	0.9
171.06589	0.9
173.13300	1.3
175.14856	4.8
176.12039	5.0
177.04057	0.9
177.05453	1.8
189.03938	1.3
189.05602	0.8
189.07567	0.8
189.12718	0.9
191.14316	100.0
192.14716	1.6
193.15880	16.3
207.13820	2.2
209.15355	12.9
213.03929	2.6
231.05002	11.9
249.06143	3.7
371.20642	1.8
619.25519	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	619.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01868	1.6
61.02929	0.7
67.05517	1.2
68.99796	1.0
69.03433	5.2
69.07076	1.0
70.06602	0.7
70.46634	2.1
72.08151	0.8
73.02927	0.8
78.04712	1.6
79.05498	6.1
81.03423	4.6
81.07050	1.6
83.04981	0.7
84.08130	1.0
85.02433	0.8
85.02918	9.5
87.00822	4.0
91.05477	3.7
93.07027	1.1
95.04960	2.1
97.02912	3.8
99.04469	2.5
103.05461	3.0
104.06243	1.1
105.01863	1.3
105.07037	5.4
106.04177	2.5
107.04973	11.4
109.02903	4.3
115.05486	3.8
117.07003	1.8
118.04166	1.1
119.08595	2.1
121.06507	2.1
122.03707	0.7
123.04439	5.3
124.05206	3.1
125.05982	0.8
127.03921	6.8
128.06235	2.5
129.07030	6.4
131.04913	3.9
131.08591	1.1
132.05707	2.0
133.06496	3.9
134.03656	1.3
137.05937	2.2
138.21034	0.7
141.07013	1.2
144.05727	0.9
145.04982	2.2
145.06482	1.4
147.04456	1.3
147.08099	3.4
147.60013	0.8
148.05215	1.0
149.05946	1.4
151.03876	1.0
152.04710	2.1
153.05493	2.5
155.07086	0.8
157.06494	1.1
159.02924	1.2
159.08041	5.0
160.05219	1.6
161.05998	9.7
163.07529	0.9
167.07054	100.0
168.05707	0.7
169.06499	0.8
172.05200	1.5
175.07556	23.1
176.04721	1.9
177.05434	1.5
177.09131	1.0
178.07831	0.9
181.08670	1.2
184.05161	1.1
187.07553	16.8
189.07098	1.7
189.09093	2.4
190.07745	1.5
190.70145	0.8
191.07069	11.6
191.08629	0.9
199.07574	8.2
202.07883	1.7
203.08572	2.9
206.07275	2.9
207.08073	1.2
209.08090	2.0
209.11668	2.1
215.08604	2.7
217.06514	1.1
217.08585	1.5
218.07314	2.9
219.08047	2.4
221.09598	4.3
229.06389	0.8
231.04900	0.8
231.08136	2.0
232.08929	1.9
233.09612	4.5
234.06787	2.7
235.07556	2.9
241.08751	1.0
243.08005	1.1
245.06079	1.0
246.06804	2.8
247.07521	2.1
248.08443	1.0
249.09132	6.2
250.09987	2.5
251.07082	1.6
257.06052	1.1
259.07489	0.9
260.08420	2.0
261.09076	5.7
262.09766	1.0
263.07028	2.2
266.09625	0.9
273.09152	0.7
274.06445	1.4
275.07047	1.7
276.07736	0.9
277.08524	2.9
278.09464	2.5
279.06641	1.0
279.09674	0.7
281.11703	7.8
289.08609	6.7
290.09232	1.4
291.06757	1.7
291.10147	2.0
293.11755	3.1
294.08853	1.6
295.09579	1.6
306.08823	1.7
307.09546	1.8
307.68918	0.8
309.11267	8.0
310.11978	0.8
311.09103	0.8
321.11215	12.2
322.12140	1.5
323.09039	1.2
325.14334	1.0
326.11520	2.0
333.11215	1.0
338.11603	1.7
341.13837	31.6
342.13907	0.7
351.12173	1.0
353.13858	23.2
355.15271	1.0
383.14938	1.1
493.13266	1.1
559.17108	1.0
619.16052	6.6
619.24988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.8
56.14264	3.0
67.05512	27.7
69.03414	4.7
69.07072	19.3
70.37225	2.5
71.01338	3.2
71.04975	3.2
71.08614	3.6
71.56302	4.2
73.02928	6.5
79.05499	16.2
81.07062	48.9
83.08611	8.5
85.02913	30.2
91.05480	22.1
93.07047	38.8
95.01327	5.1
95.04949	3.1
95.08611	100.0
97.10175	4.0
99.00797	3.0
99.03265	2.9
99.08119	3.1
105.07028	40.0
107.08601	70.3
109.06525	3.4
109.10159	66.6
111.08088	8.7
111.11662	3.5
113.02370	5.1
119.08590	63.1
121.10161	57.3
123.11709	22.0
125.09702	3.4
131.08583	17.0
133.10123	46.4
135.11719	38.6
137.02362	4.0
137.13258	7.1
141.01826	12.0
141.06998	3.8
142.02553	2.9
143.08569	7.1
145.10149	25.1
147.04456	3.8
147.11694	31.1
149.13257	32.4
153.05511	7.1
157.10097	11.0
159.02884	22.0
159.11658	23.3
161.13272	35.3
163.14818	25.1
165.12823	4.7
171.11742	5.3
173.13184	19.8
175.03972	7.5
175.14825	28.2
177.04022	4.0
177.16385	17.7
180.31413	3.2
185.13260	6.4
187.14830	19.2
189.16396	31.9
191.17944	14.9
193.15884	4.4
197.13190	3.6
199.14850	4.9
201.16365	27.1
203.17987	36.7
205.15874	5.8
205.19539	4.0
207.17410	6.1
213.16313	5.4
215.18010	20.4
217.19527	29.0
219.17432	13.1
221.18956	9.1
227.17932	8.1
229.19560	24.5
233.19102	7.4
241.19429	6.6
243.21101	10.3
247.20599	15.1
250.65932	3.4
255.02739	3.2
255.21091	7.3
257.22620	3.9
261.22177	5.1
269.22601	6.0
273.22189	4.0
275.23767	4.9
299.05597	3.3
301.06967	9.3
302.07278	3.8
315.04956	5.3
365.10431	3.3
365.19403	3.9
365.31906	5.6
405.35199	15.8
423.36212	36.0
441.37256	14.4
569.73492	4.7
581.38367	14.7
599.39111	11.1
617.12756	15.4
617.24127	4.0
617.34576	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	617.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22631	0.4
52.54731	0.5
55.01860	0.5
55.05507	1.1
57.03426	0.9
66.23508	0.4
67.05514	4.2
69.07068	1.8
69.31741	0.6
69.32146	3.7
69.41097	0.5
77.32653	0.4
79.05486	2.4
81.07061	3.6
83.08611	0.6
91.05493	1.9
93.07042	2.2
95.04977	0.6
95.08614	3.1
98.21466	0.8
104.91666	0.5
105.07041	1.6
107.08591	1.6
107.67854	0.4
109.10155	0.6
113.25748	0.5
119.08589	1.6
121.10184	1.3
124.37693	0.5
131.08560	0.9
133.10120	0.6
135.11716	0.7
145.10129	0.7
154.75996	0.5
169.10191	0.5
177.05496	1.1
191.03235	0.7
194.61949	0.5
203.07039	4.4
217.94098	0.4
283.15186	16.7
335.25861	1.1
339.17776	4.0
345.14728	1.9
379.15280	1.4
397.12619	0.6
415.13910	0.6
459.21017	0.5
615.39539	0.5
617.40253	100.0
618.40393	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	617.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01880	0.7
55.05503	0.9
57.03433	1.2
65.03946	1.0
67.05508	5.8
69.03428	0.8
69.07076	2.2
71.04987	0.8
71.58210	0.6
79.05489	4.7
81.03406	1.4
81.07059	5.7
83.04991	1.0
83.08608	0.8
85.02917	1.0
85.06564	0.7
91.05482	5.7
93.07053	4.2
93.77438	0.5
95.04979	2.3
95.08605	3.7
97.06548	0.9
104.10742	0.5
105.03428	0.5
105.07037	4.4
106.07366	0.4
107.04985	0.5
107.08604	3.3
108.86575	0.4
109.02880	0.6
109.06485	1.0
109.10152	1.7
117.07042	1.1
119.08603	3.7
121.06514	2.3
121.10183	2.7
123.04478	0.6
123.08067	1.0
123.11724	0.7
125.06004	0.9
129.06985	0.7
131.08563	1.9
133.06488	0.5
133.10155	2.5
135.04362	0.5
135.08047	0.7
135.11659	0.8
137.06001	0.7
141.06984	0.6
142.07791	0.8
143.08525	0.5
145.06453	0.5
145.10129	1.7
147.04373	0.5
147.08057	1.8
147.11684	1.5
149.05946	0.6
151.03880	1.6
151.07541	1.5
157.10143	1.6
157.26431	0.5
159.08083	0.8
159.11703	1.1
161.02368	1.0
161.05984	0.7
163.03923	0.7
163.11247	0.6
165.05415	0.8
165.09140	0.5
167.07077	0.7
169.10146	0.5
173.13286	0.6
175.03841	0.6
175.11220	0.6
177.05473	9.5
178.05844	0.6
179.07098	0.8
181.04971	0.8
182.52588	0.5
187.03851	0.6
189.05490	1.3
191.03320	0.6
191.06990	0.8
192.07825	1.6
195.07936	0.5
203.05431	0.5
203.07033	11.8
203.14223	0.5
205.04959	11.3
213.09143	1.6
217.05028	1.1
221.15337	2.2
227.03178	1.0
233.04451	9.7
241.08684	0.7
243.10185	3.1
245.04521	1.1
247.13123	0.6
251.12523	1.2
254.12981	0.5
261.03738	0.7
281.08047	1.0
283.01904	9.6
307.09555	0.7
307.15234	0.6
309.07632	0.7
309.11365	0.5
315.19360	0.6
333.20389	10.3
335.25806	2.6
337.07056	0.7
353.06308	0.5
363.08496	0.6
375.07117	1.6
381.09808	0.7
383.07617	1.5
385.12796	3.0
387.10510	0.6
389.22922	4.1
395.14914	3.9
397.09113	0.6
409.05447	0.8
411.10864	0.9
412.14487	0.9
421.11395	0.8
429.14008	0.6
447.14804	1.7
449.11859	0.8
531.29401	1.6
539.13300	0.6
559.75983	0.5
567.12830	0.5
569.12982	0.5
571.15973	0.7
585.13947	0.8
589.17035	2.3
599.15076	1.0
599.29956	0.9
599.40692	0.6
617.26935	13.3
617.36469	100.0
618.27820	1.0
618.36475	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	617.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.8
51.98761	1.5
55.01874	2.3
55.05513	7.8
57.07081	4.1
65.03926	3.1
65.23091	1.7
67.05503	15.3
69.03448	2.6
69.07079	16.6
71.56082	1.7
71.56461	2.2
79.05500	13.2
81.03413	4.2
81.07064	29.0
83.04977	2.9
83.08614	3.7
85.02915	9.6
85.06508	1.5
91.05485	20.0
93.07047	23.6
95.04964	6.7
95.08615	34.6
97.06548	3.1
103.05489	6.2
103.76568	1.7
105.07047	32.7
107.04945	2.2
107.08611	28.6
109.02894	4.3
109.06523	7.0
109.10151	15.6
111.04449	13.3
111.08135	2.2
113.06018	2.7
115.05456	2.9
117.07018	10.7
119.04984	3.6
119.08593	42.7
121.06536	3.6
121.10138	22.4
123.04417	4.1
123.08076	5.4
123.11711	5.3
125.06021	6.1
128.06226	3.9
129.07011	5.7
130.07828	2.5
131.08583	12.6
133.10141	13.5
135.04411	3.1
135.08047	10.2
135.11723	3.4
137.02332	2.8
137.06015	3.9
137.09650	2.4
137.13261	7.0
139.03909	27.1
141.05476	14.1
141.07022	1.9
142.07817	5.3
143.08554	9.0
145.06531	3.5
145.10129	22.6
147.08063	5.3
147.11722	11.3
149.09621	6.4
149.13260	13.9
151.04010	2.4
151.07581	4.6
153.06990	2.4
154.07840	2.2
155.03455	3.4
155.08516	6.3
157.06438	1.8
157.10172	10.2
158.07285	2.0
159.04539	2.3
159.08067	4.5
159.11699	8.9
161.02365	2.2
161.06006	5.0
161.09636	6.4
161.13286	3.2
163.07544	25.3
165.09129	25.0
166.07796	2.7
167.08379	2.7
167.10616	2.5
169.10162	8.4
171.08110	3.2
171.11748	7.1
173.09685	3.6
173.13364	2.8
175.07607	6.9
175.11263	2.3
175.14830	4.7
177.05450	4.1
177.09178	15.8
177.12772	2.1
179.08571	2.0
179.10631	1.9
181.10156	4.2
182.10858	2.9
183.08055	3.1
183.11745	5.7
185.06108	2.6
185.09633	5.0
185.13316	3.3
187.03900	2.0
187.07555	4.1
187.11221	4.7
187.14752	3.3
189.05516	2.8
189.09123	12.8
189.12782	2.4
189.16406	3.0
191.03123	2.4
191.10684	5.5
195.08032	4.4
195.11746	3.9
197.09552	3.9
197.13306	6.4
198.96584	1.9
199.14828	3.0
201.09111	4.6
201.12862	1.8
201.16420	7.1
203.07030	31.4
203.10739	4.1
203.14381	2.5
203.17990	5.1
204.07440	3.1
205.12280	6.3
208.12514	1.9
209.13440	1.7
211.07512	1.8
211.11360	3.6
211.14784	10.1
213.09097	10.8
213.12842	1.9
213.16594	1.7
215.10689	4.6
215.14325	2.3
217.12288	3.1
219.13916	2.9
221.13329	2.4
221.15285	2.5
223.07509	4.1
229.08527	8.4
229.12183	2.5
229.15929	4.2
231.13866	8.7
233.15398	3.9
241.08618	14.2
243.10222	13.0
243.13907	2.5
245.15427	18.2
249.14775	2.3
253.19626	3.3
257.15353	12.0
259.09729	5.3
259.13174	3.8
261.11298	3.7
271.16791	2.3
273.14746	2.6
277.10825	8.4
277.17679	11.6
281.19107	3.3
285.15042	2.9
285.22183	3.0
295.18393	22.3
307.09412	3.2
313.21631	100.0
323.09137	2.5
323.20059	7.0
341.21182	42.6
345.14612	15.1
363.15601	4.4
379.15533	3.9
412.19418	2.3
413.11987	4.5
567.27979	2.0
599.29858	10.7
617.21674	11.0
617.30975	45.7
617.40515	3.1
645.51251	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	617.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01869	7.0
55.05506	2.3
57.07064	1.0
59.06103	1.4
65.03940	1.1
67.05499	4.3
69.07062	3.5
71.31431	1.7
79.05496	3.9
81.03421	1.1
81.07060	5.4
83.04973	1.1
83.08620	1.2
85.02876	1.1
91.05486	9.6
93.07045	3.8
95.01347	0.8
95.04966	2.6
95.08618	3.4
99.04445	1.3
103.05490	1.1
105.03431	1.1
105.07029	12.2
106.04175	1.1
107.04971	1.5
107.08579	2.8
109.06538	2.9
109.10181	2.8
111.04452	2.5
111.08109	1.0
117.07037	1.8
118.10171	0.8
119.04911	0.9
119.08591	15.7
121.06509	7.5
121.10152	2.5
123.04437	1.6
123.11672	1.1
125.06004	5.8
125.09683	1.1
129.07013	2.3
131.08562	2.2
133.06497	1.2
133.10129	3.0
135.04407	1.8
135.08035	1.4
135.11687	1.3
137.02351	1.2
137.05994	2.1
139.03925	5.6
141.05487	0.9
143.08604	1.1
145.10152	2.3
147.04469	1.7
147.08073	2.8
147.11691	1.6
148.05183	0.9
149.02347	2.3
149.05991	10.8
151.03911	2.2
153.05424	1.1
153.07120	0.9
155.03401	1.3
155.08577	1.1
157.10132	1.1
159.11642	1.1
161.02357	6.0
161.05984	4.3
163.03915	2.7
163.07626	1.1
165.05505	2.2
167.07042	3.3
169.10167	1.4
171.11658	1.3
171.44211	0.9
175.03940	1.5
175.07529	1.6
177.05479	56.8
185.06000	3.9
187.03946	2.8
187.07428	1.0
191.03377	1.6
193.04944	8.0
195.06555	33.6
195.08017	1.4
203.07042	100.0
203.17821	1.2
204.07346	1.9
209.04424	2.2
211.07565	1.8
213.09079	1.8
215.10629	1.7
221.04521	2.0
221.15340	1.5
227.07039	1.6
229.08568	2.6
241.08551	5.0
243.10172	9.4
257.08020	1.3
259.09808	4.4
259.16714	2.3
261.11255	1.4
269.08173	2.7
273.07730	1.7
277.12515	0.9
277.17770	8.6
279.10120	1.0
281.07947	1.0
285.07898	0.9
291.10046	1.8
293.08099	1.0
295.09738	1.4
295.18759	2.6
303.06238	1.1
307.09561	2.1
309.11057	1.1
313.21689	3.0
319.09619	2.8
321.11298	1.7
323.12946	1.3
341.20932	1.5
345.14679	3.7
349.10495	1.1
351.08563	1.8
351.12344	5.8
363.15549	2.7
367.11786	3.3
369.13541	1.5
378.07556	1.0
379.11475	36.3
379.15356	5.9
397.12833	60.4
397.23587	6.4
398.13400	0.9
432.81799	1.0
599.29535	2.7
617.30292	6.1
617.40021	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.9
60.58831	0.9
67.05488	2.2
69.03430	1.7
69.07068	2.5
69.32784	3.4
69.33204	6.0
79.05482	5.0
81.07053	4.9
91.05489	4.2
93.03406	1.1
93.07056	4.5
93.08045	1.1
95.04980	2.0
95.08598	5.1
98.21531	2.4
103.05470	1.4
105.07021	5.4
107.04955	2.4
107.08611	5.2
109.06539	3.0
109.10174	3.2
117.06999	1.4
119.04949	1.5
119.08598	4.8
121.06498	3.7
121.10168	2.6
131.04953	1.7
131.08612	1.5
133.02872	9.2
133.10143	3.8
135.04434	3.1
137.05978	2.1
141.62805	1.0
143.08560	1.4
145.06493	1.3
145.10164	2.4
147.04411	2.1
147.08101	1.9
147.11725	3.8
149.05986	5.1
153.05507	6.7
153.06633	1.0
155.08667	1.4
159.11670	1.6
161.02322	4.8
161.06015	1.7
161.13319	1.6
162.03123	2.5
163.03909	5.8
165.05476	6.4
167.03398	1.9
173.02151	3.1
177.05476	35.8
178.06238	16.5
183.08012	1.5
185.06033	2.2
185.09665	1.1
187.03979	2.1
187.14821	1.2
189.09212	2.2
190.02441	4.3
191.03171	20.6
191.04813	1.7
193.04990	11.6
195.06520	1.4
195.08131	1.4
201.09142	4.8
203.07037	43.2
203.18027	5.5
211.07559	2.4
213.09274	2.6
215.03125	1.7
215.10703	1.2
229.05028	1.3
229.08583	7.8
230.05684	1.2
243.10263	3.8
279.06464	1.4
291.10287	1.3
304.92844	1.0
309.11176	1.0
319.09598	1.3
321.11276	2.6
323.09158	1.9
325.14474	4.7
333.07169	1.2
345.15125	1.2
353.09943	1.4
353.13803	22.6
361.14233	1.6
365.10358	1.7
365.21255	1.6
367.12027	4.0
379.07941	9.0
383.22290	1.5
395.11185	1.7
397.08948	35.4
397.13092	22.4
405.51300	1.2
411.21402	7.2
415.25137	1.4
567.27899	1.7
585.28308	1.8
599.29736	3.2
617.27203	100.0
618.27612	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	617.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
53.79081	0.7
55.01871	3.2
55.05519	4.1
57.03435	1.1
57.07067	1.7
57.12758	0.6
59.05005	1.0
64.40625	0.6
65.03941	0.9
67.05509	9.3
69.03421	0.9
69.07072	8.3
71.04977	0.7
73.06567	0.6
79.05495	8.4
81.03405	1.0
81.07060	15.4
83.04994	1.6
83.08611	2.0
85.02913	3.0
85.06637	0.5
91.05487	7.3
93.07047	9.0
94.43046	0.5
95.04979	2.8
95.08611	14.4
97.06529	1.5
97.31969	0.5
98.20763	1.4
99.08134	0.6
103.05479	2.1
105.07035	13.0
107.04953	1.7
107.08591	14.0
109.02909	1.8
109.06528	2.5
109.10159	5.9
111.04439	4.3
111.08102	0.9
113.06016	0.8
115.05452	0.8
116.39576	0.6
117.07046	4.4
119.04930	1.2
119.08588	16.5
120.87678	0.6
121.06513	1.0
121.10152	6.6
123.04410	1.3
123.08096	1.9
123.11708	2.0
125.05976	2.6
129.06996	1.7
130.07726	0.8
131.08569	4.3
133.06516	0.9
133.10127	5.3
135.04514	0.7
135.08043	3.2
135.11707	2.1
137.05968	1.5
137.09642	0.7
137.13264	2.7
139.03915	10.7
139.07491	0.9
141.05487	5.8
141.07021	0.6
142.07799	1.8
143.08577	2.5
144.95082	0.6
145.06523	1.4
145.10123	7.9
147.04399	0.8
147.08052	2.0
147.11684	4.1
149.05952	0.7
149.09631	2.0
149.13243	6.7
150.82990	0.6
151.03957	0.6
151.07527	1.1
151.14798	0.8
155.03398	0.7
155.08560	2.8
156.09387	0.9
157.04999	0.7
157.10161	2.6
158.07390	0.7
159.08086	1.2
159.11719	2.8
161.02373	1.0
161.05998	1.8
161.09636	2.4
161.13271	2.2
163.07544	10.8
165.07011	1.1
165.09135	10.3
167.08542	1.1
169.10139	2.8
171.08034	1.2
171.11797	1.0
173.05948	0.9
173.09628	2.2
173.13286	0.8
175.03897	0.8
175.07544	3.0
175.11215	1.3
177.09120	5.3
179.08607	1.1
181.10144	0.7
183.11713	2.2
185.09590	1.2
185.13283	1.1
187.07579	1.0
187.11183	1.2
187.14749	1.1
189.09097	5.2
189.12825	1.4
189.16542	0.9
191.10681	1.7
193.05023	1.0
195.06465	0.9
195.08075	1.2
195.11754	1.0
197.09653	1.3
197.13303	2.2
198.06851	0.8
199.11180	1.2
199.14989	0.9
201.09177	1.8
201.12854	1.0
201.16414	2.1
203.07047	10.0
203.10649	2.3
203.14351	0.9
203.17958	1.3
205.12256	2.0
207.11853	0.7
211.11176	1.0
211.14821	3.5
213.09113	2.7
215.10780	1.5
217.08644	1.4
217.12238	1.5
219.13728	0.9
221.15384	1.0
223.07512	1.1
225.09172	0.7
225.12889	0.8
229.08614	2.6
229.12265	2.3
229.15909	3.0
231.10231	1.0
231.13882	4.1
233.11598	0.9
233.15282	1.0
239.14499	0.8
241.08611	8.1
241.12276	0.9
243.10214	1.7
243.13847	1.4
245.15401	9.8
253.19543	1.5
257.15359	4.6
259.09659	9.1
259.12540	0.9
259.13153	0.8
263.17920	1.0
271.16858	1.9
277.10803	2.7
281.19003	2.0
283.15131	13.8
283.62955	0.6
285.22116	1.6
295.20752	4.3
313.21628	44.2
323.09088	1.3
323.20093	2.8
326.44724	0.8
335.25769	0.9
339.17661	3.2
341.17041	1.4
341.21133	20.2
345.14700	1.3
359.22290	2.2
360.72995	0.6
397.12997	1.4
397.90759	0.7
408.08356	0.7
413.12164	0.8
415.13980	4.0
585.28375	0.9
599.30072	2.1
613.78021	0.9
617.31152	11.4
617.40240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54973	0.6
55.01862	1.3
55.05498	2.8
59.04971	0.8
65.03929	0.9
67.05506	4.4
67.57880	0.6
69.03449	1.6
69.07063	3.6
71.04984	0.8
79.05492	5.4
80.89494	0.6
81.03407	0.9
81.07063	8.8
83.01360	0.7
83.04994	1.0
83.08610	2.6
91.05476	5.1
93.07053	8.8
94.04280	0.6
95.04955	2.3
95.08612	12.5
97.06583	0.7
105.03383	0.9
105.07037	7.5
107.04960	1.2
107.08611	7.2
109.06493	2.4
109.10143	6.1
115.05460	3.0
117.06963	1.6
119.04942	1.2
119.08597	4.0
121.02863	1.1
121.06496	2.4
121.10153	13.7
123.08055	1.4
123.11708	1.0
129.07013	2.6
131.08572	2.0
133.02794	0.8
133.06496	5.4
133.10115	2.8
135.11697	4.0
137.06007	3.0
141.07021	1.0
142.07721	0.9
143.04936	4.5
143.08600	1.8
144.05687	0.9
145.06485	3.2
145.10118	3.3
147.04433	3.6
147.08063	3.6
147.11716	1.9
149.02293	1.4
149.05977	1.6
149.13213	1.8
151.02315	0.6
151.03891	1.1
151.07561	1.0
153.05461	1.3
153.06943	0.7
155.08542	1.6
157.06480	2.3
157.10124	1.2
159.08044	1.6
159.11664	1.0
160.05237	0.9
161.02319	6.5
161.05966	9.6
163.03902	2.0
167.03363	1.1
167.08496	0.7
169.10144	1.0
170.99791	0.8
171.08028	1.0
173.05989	2.0
173.09641	0.9
175.03873	1.8
175.07579	4.3
175.14774	3.6
177.05484	14.1
177.09013	0.8
177.16391	14.0
179.07051	1.0
179.08505	1.1
180.37000	0.6
181.06561	0.9
183.08089	1.1
185.04417	0.7
185.05943	3.4
185.09628	1.0
187.03896	1.8
187.07571	1.2
187.11232	1.0
189.05455	3.2
189.09012	0.8
189.16328	0.8
191.03081	0.6
193.04929	0.8
193.08624	5.8
197.09711	1.6
199.07581	0.8
201.05414	0.9
201.09148	1.0
201.16368	0.9
203.03265	3.0
203.07039	100.0
203.17938	1.1
204.07336	0.9
205.04999	1.9
207.06485	0.7
207.13692	0.8
209.13232	0.9
213.09244	0.7
215.10649	0.7
221.15332	0.9
223.11113	0.7
225.09064	1.3
225.12729	0.7
228.07707	0.9
229.08615	1.3
241.08722	1.4
243.10168	22.4
269.08151	1.7
269.11374	0.7
286.38602	0.8
297.14780	0.7
327.23114	5.4
337.21405	1.0
339.19519	1.9
351.12399	0.8
353.13907	0.8
355.22687	12.3
357.20248	1.1
363.12372	1.4
369.24292	4.0
379.11682	5.1
383.22064	1.8
387.25278	1.8
397.23755	4.8
409.20270	0.9
415.24823	1.0
416.12204	0.7
423.14417	1.5
423.21182	0.8
454.22128	1.0
529.29425	3.3
557.29327	3.9
567.26752	0.8
571.30249	1.3
581.28772	1.8
585.28296	4.4
589.31799	5.0
599.30078	8.2
617.31525	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.5
55.05491	6.2
60.59548	1.3
62.81897	1.6
64.68134	1.7
65.03923	1.6
67.05502	9.0
69.07077	14.9
69.96320	7.2
79.05499	8.7
81.03362	1.6
81.06642	1.6
81.07060	16.4
83.08627	1.7
91.05486	11.1
93.07045	10.1
95.04977	2.0
95.08617	10.4
98.20844	1.8
102.00192	1.8
103.05439	2.7
104.82510	1.5
105.07034	17.2
107.04936	3.7
107.08594	8.1
109.06467	3.4
109.10171	8.3
111.04440	1.6
117.06979	6.3
119.04941	3.5
119.08571	12.1
121.06453	3.8
121.10071	5.4
123.04418	3.4
123.11667	2.6
125.06094	1.5
129.07007	3.4
131.04866	3.4
131.08572	9.0
132.79422	1.5
133.02809	1.6
133.10097	4.9
135.04352	2.9
135.11710	2.4
137.05905	1.6
141.06984	3.6
143.08553	2.9
145.10121	9.6
147.04387	5.7
147.08028	4.7
147.11705	7.9
149.02261	2.3
149.05940	3.0
149.09515	1.7
151.03833	3.6
151.07544	3.7
153.05432	4.6
153.06892	1.6
155.08525	2.7
157.06445	2.3
157.10028	2.5
159.04382	3.3
159.07990	2.4
159.09325	1.6
159.11632	3.3
161.02298	3.0
161.05922	6.0
161.13235	2.3
163.03868	3.3
163.07539	2.5
165.05417	4.8
167.03392	2.6
169.06448	3.0
170.56853	1.6
171.07997	2.1
171.11603	1.7
173.02069	6.3
173.05943	2.1
175.03864	4.1
175.07452	5.5
176.04666	2.0
177.05522	12.7
177.09006	4.6
178.06303	2.0
179.07088	8.9
185.05899	7.0
187.03816	4.2
187.07462	3.2
187.14726	3.9
189.05519	8.5
189.09082	9.3
189.16377	2.3
190.02423	9.0
191.03183	31.4
191.06915	6.9
193.04909	2.8
195.07965	3.6
197.05960	2.8
199.07458	3.5
201.09047	3.5
201.16341	5.4
203.07043	47.6
203.17825	3.9
205.05077	2.6
207.04860	1.9
207.06531	25.2
211.07495	4.4
213.05408	1.5
213.09045	3.6
213.95302	1.6
214.06190	3.3
215.03247	2.6
217.04919	2.9
217.08437	2.5
225.08977	2.2
226.05948	2.0
227.06900	7.0
228.07520	1.9
229.08583	25.3
235.05878	5.2
237.08922	1.8
241.08585	8.5
242.09161	2.1
243.10126	8.0
253.08432	1.7
255.10043	3.8
257.07965	1.9
259.09653	5.2
267.10028	2.6
279.06540	1.7
281.08014	2.4
295.18741	20.1
305.08057	1.8
307.05594	1.6
307.09454	3.4
311.09079	3.1
315.09897	1.7
319.09149	1.8
323.09024	2.3
327.12051	1.8
331.09372	2.1
335.08859	3.6
339.11957	2.0
339.19406	3.0
341.10092	2.6
345.14688	13.7
349.10242	1.7
360.09601	2.1
361.14276	13.5
365.09811	2.5
365.13657	5.7
365.17661	1.8
375.12009	3.2
379.07947	16.5
379.15335	8.8
384.61157	1.7
393.13361	14.7
397.03943	1.8
397.08942	46.7
411.14426	81.5
411.20892	12.2
412.14514	2.0
415.24332	1.9
431.14404	2.0
449.16064	7.6
557.27972	1.8
581.29004	14.9
599.30029	44.5
617.26727	100.0
618.26593	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	617.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
61.63286	1.0
67.05506	4.9
69.07059	3.3
69.64324	5.7
69.64726	2.0
79.05491	4.1
81.07065	10.7
83.08608	1.3
83.13679	1.0
91.05479	5.5
93.07054	5.8
95.04981	1.1
95.08608	11.4
105.07021	12.9
107.08596	8.6
109.06545	1.4
109.10160	8.4
119.08597	16.5
119.09905	1.3
121.06487	2.3
121.10167	5.8
123.11712	2.1
129.07004	2.6
131.08585	2.1
133.02878	3.4
133.10120	7.3
135.04393	1.2
135.11754	1.5
137.05939	1.8
145.06537	1.1
145.10187	2.4
147.08058	2.3
147.11678	7.5
149.13187	1.0
153.05495	3.8
154.74780	1.0
161.02330	3.5
161.13283	2.5
163.03906	2.1
165.05499	2.4
173.02090	6.2
175.03975	1.1
175.14853	3.4
177.05490	14.2
178.06171	5.6
185.09608	1.1
190.02417	6.4
191.03163	32.8
191.06834	1.2
193.04990	4.3
201.09129	1.2
203.07043	24.4
203.17979	11.5
205.04959	1.4
213.09193	1.9
215.03285	1.3
227.07135	1.4
229.04892	1.6
229.08667	4.5
230.05563	2.0
243.10239	2.8
250.61267	1.1
261.18207	1.2
321.11230	1.6
323.09149	1.6
325.14383	2.0
353.13901	9.0
361.14398	1.5
379.07907	12.3
379.15219	3.5
395.14795	2.8
397.08817	53.3
397.13092	6.7
411.21439	4.6
428.51944	1.2
492.15591	1.1
497.40915	1.1
599.30450	2.6
617.27136	100.0
618.27173	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	617.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48719	2.3
55.01862	3.4
67.05518	4.3
68.99785	2.0
69.03399	1.9
69.07069	4.5
70.21561	1.7
71.02748	5.9
77.03934	2.0
79.05487	7.9
81.07060	8.6
91.05477	14.4
93.03384	3.1
93.07052	9.3
95.08611	7.3
97.06526	3.3
103.05490	2.8
105.03402	2.7
105.07040	11.3
107.04951	4.9
107.08611	4.9
108.29623	2.0
109.06512	5.2
109.10175	6.0
119.08635	9.6
121.06481	10.8
121.10160	5.7
123.96175	2.0
129.07037	3.4
131.04956	2.9
131.08604	4.3
133.02844	19.8
133.10152	2.7
135.04427	6.3
137.05997	6.3
139.03920	2.3
141.06984	2.9
143.08531	2.7
145.10133	4.9
147.04419	5.6
147.08037	6.7
147.11725	7.5
149.05954	8.9
150.03119	4.0
153.05478	17.9
157.10110	2.7
159.07974	3.6
161.02321	7.9
161.05931	5.1
162.03145	5.6
163.03925	18.3
165.05472	14.0
165.06665	2.0
167.03439	4.7
169.06604	1.9
171.04485	1.9
171.08144	2.2
175.07619	4.7
177.05473	85.9
177.07025	4.5
178.02652	2.8
178.06253	41.4
178.07770	3.0
181.10135	2.4
183.08060	2.5
185.05994	4.7
185.09752	3.0
187.03911	3.5
187.07484	2.6
189.05434	2.6
189.09131	7.4
193.05029	23.9
195.06538	5.7
195.08098	2.7
199.07527	2.6
201.09123	9.2
201.16382	2.7
203.07028	100.0
203.18004	4.7
205.04985	7.3
206.05388	2.9
211.07559	5.2
213.09097	7.9
214.06297	2.3
225.09090	4.4
227.07033	4.2
229.08569	23.6
241.08705	2.8
243.06537	2.7
243.10168	10.0
251.07176	2.9
267.09921	2.4
269.08133	2.3
279.06570	2.4
288.38660	2.1
306.08768	2.9
307.09540	2.1
309.11163	4.1
319.09610	6.2
321.11188	7.6
323.09152	3.5
325.14301	11.3
335.09250	2.4
338.11398	4.7
351.12149	4.0
353.09662	4.0
353.13834	56.0
354.14206	2.2
367.11618	4.7
379.11606	3.8
397.12851	57.4
458.13235	2.3
476.34760	2.5
599.29535	5.8
617.22375	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	617.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.8
55.56746	0.7
66.98997	0.7
67.05495	2.7
69.07064	3.0
69.54968	0.6
71.56184	0.6
79.05495	2.3
81.07082	3.6
90.26527	0.7
91.05490	3.9
93.07043	3.1
95.04993	1.2
95.08627	1.3
100.50776	0.7
103.05506	0.8
103.47247	0.7
105.07026	4.3
107.08608	2.7
108.05408	0.7
109.06493	1.0
109.10170	2.6
109.84434	0.8
119.08563	3.3
121.06514	1.9
121.10166	1.7
131.08578	2.0
133.06512	1.0
133.10133	1.4
135.07999	0.7
135.11662	0.9
145.06493	0.7
145.10147	2.1
147.04414	1.2
147.08012	1.3
147.11711	1.8
151.07536	1.1
155.08549	0.9
158.08052	0.8
161.13245	0.8
163.04016	0.8
165.05505	0.8
165.06937	1.1
167.10707	0.9
171.08083	0.7
173.02142	2.8
175.04025	0.7
177.05518	2.3
177.09053	0.8
179.07086	1.1
185.06088	1.2
189.05504	1.7
190.02440	5.6
191.03159	27.4
193.04930	0.8
195.08237	0.7
195.11716	1.2
197.13365	0.9
201.16460	0.8
203.03365	1.0
203.07043	10.6
203.18115	1.0
207.06528	2.1
213.09323	1.1
215.03288	1.6
227.07109	0.8
229.08659	3.1
230.05562	1.3
241.08633	1.0
243.10143	2.2
277.17780	1.3
295.18896	1.7
305.80026	0.9
345.14709	3.0
353.14075	0.8
361.14224	1.5
363.15610	1.0
379.07858	15.2
379.15253	1.6
388.52518	0.8
393.13193	1.0
397.08899	38.2
411.14474	6.7
411.21448	13.1
449.15875	0.9
581.29260	1.0
599.29712	6.3
617.27203	100.0
618.27771	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	617.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
57.07089	1.6
67.05494	4.4
69.07055	4.2
69.46693	8.5
70.86449	1.1
79.05479	5.0
81.03424	1.5
81.07065	8.0
91.05476	9.0
93.07064	6.5
95.04960	1.9
95.08616	4.2
105.07054	9.1
107.08577	5.3
109.06483	1.6
109.10176	6.0
115.05453	1.7
117.07006	2.6
119.08607	8.2
119.09303	1.5
121.06493	2.5
121.10143	3.3
123.11659	1.2
129.06979	2.1
131.08553	3.7
133.02866	3.3
133.06436	1.0
133.10129	3.0
135.04362	1.3
135.11673	2.4
143.08542	1.4
145.06470	1.6
145.10146	2.8
147.04472	1.3
147.08078	2.5
147.11673	4.7
149.05952	1.7
151.03909	1.6
153.05449	3.1
155.08534	1.5
157.10081	2.1
161.02296	4.5
161.13226	2.6
163.03879	2.4
165.05421	2.2
167.03384	1.3
167.08600	1.3
173.02109	7.3
175.07433	1.3
177.05469	9.7
178.06219	4.3
185.05969	2.7
187.03903	1.6
187.07497	1.9
189.09084	1.6
190.02335	5.7
191.03175	29.6
191.06996	1.6
193.04924	4.4
195.07982	1.3
199.07489	1.8
201.09135	2.7
203.07039	38.0
203.17903	3.8
207.06375	1.4
213.09097	1.9
215.03197	2.6
225.09084	1.9
227.03047	1.4
229.08624	5.3
229.12152	2.3
230.05533	2.5
233.13757	1.1
241.08641	2.8
243.10201	9.3
257.08221	1.5
269.08035	3.2
277.17749	1.6
307.09418	4.4
323.09048	3.1
345.14471	1.7
353.10065	2.1
353.13846	6.1
361.14139	11.0
362.14410	2.8
363.14990	2.1
379.07837	10.6
379.15314	13.4
380.15350	5.4
381.15616	3.3
395.15033	5.9
397.08862	84.8
398.09201	1.8
411.21268	1.9
415.14081	5.8
437.20441	2.1
581.28986	2.9
585.28455	2.5
599.29681	6.8
617.26941	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	616.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14891	7.3
69.52354	40.4
70.06575	8.9
73.56554	6.9
81.75388	8.9
88.07642	13.2
114.80930	7.6
154.98418	7.9
208.31708	8.8
274.27417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
53.03934	2.1
55.01866	1.0
55.05511	1.6
56.96558	3.4
57.07067	1.1
65.03945	2.5
67.05506	2.7
69.03428	1.2
69.07069	0.9
69.54266	4.2
79.05496	4.6
81.03417	4.8
81.07080	4.7
83.04985	1.5
84.96030	2.8
85.02877	0.8
91.05491	5.1
93.03366	0.8
93.07043	4.1
94.04181	1.1
95.01360	0.8
95.04970	3.4
95.08605	2.3
97.06516	1.2
98.97578	2.0
103.05447	0.9
105.03419	1.8
105.07047	5.2
107.04958	2.1
107.08595	2.9
109.02907	4.2
109.06520	4.9
109.10142	1.4
110.97630	0.9
111.04417	0.8
115.05442	1.0
116.98663	1.3
117.07035	1.3
119.04914	0.7
119.08583	4.1
121.02867	2.6
121.06519	13.7
121.10122	2.1
123.04429	0.9
123.08065	1.6
125.06004	1.9
129.06996	1.6
131.04942	1.8
131.08563	2.0
133.02826	2.3
133.06491	0.8
133.10135	2.6
135.04436	4.6
135.11636	0.8
137.05986	5.0
139.03865	0.9
141.05391	1.3
141.06958	0.9
142.07710	0.9
143.00194	1.3
143.08604	2.3
144.98140	0.9
145.06493	2.8
145.10095	3.6
147.04411	2.2
147.08032	2.3
149.02377	3.6
149.05995	5.1
149.09727	0.8
151.03914	13.4
151.07545	0.8
153.05453	1.7
153.06903	0.9
155.08563	1.3
157.06458	1.2
157.10126	1.6
159.04401	1.4
159.11688	1.2
161.01212	0.9
161.02377	4.7
161.05974	6.0
163.03943	4.5
165.05481	5.2
165.06935	1.6
165.09099	0.9
166.06326	1.0
167.03384	1.4
169.10118	0.9
171.04297	0.7
171.11748	1.0
173.02412	0.7
173.05954	1.7
173.13364	1.1
175.03906	2.1
175.07578	1.8
177.05479	77.5
179.03467	1.2
179.08540	1.3
181.04996	2.0
181.12206	0.8
182.07224	1.2
183.06610	3.5
183.07895	0.8
185.05968	4.3
187.03909	2.3
187.11208	0.9
189.05489	5.6
189.09209	1.0
191.03394	2.1
193.04993	5.4
195.08028	1.8
197.09616	1.2
199.07545	1.1
200.04832	0.7
201.00710	1.5
201.05464	1.7
201.09158	1.9
203.07039	68.7
205.04971	93.7
206.05574	2.1
207.06509	3.4
207.13773	0.9
208.94246	0.8
209.04428	3.0
209.09579	1.0
211.07585	1.5
213.05521	1.0
213.09061	1.3
215.10730	1.2
217.04980	8.9
218.02017	0.9
219.06558	1.3
221.15335	1.9
225.09125	3.0
227.07095	2.1
227.14098	0.9
229.05000	2.1
229.08630	3.2
233.04463	100.0
234.04732	1.1
235.07623	1.8
237.05487	1.3
238.06287	1.2
239.06982	1.3
241.08690	1.6
243.03020	1.5
243.06448	1.4
243.10190	27.9
245.04492	6.9
246.05217	2.1
250.06319	1.0
251.07339	0.9
253.05022	1.0
253.08612	3.8
255.06113	0.8
257.04404	1.1
261.03909	7.8
263.07071	1.6
264.96912	1.2
265.08502	1.2
267.06479	1.0
269.08115	3.5
273.04092	2.0
279.06522	2.4
279.10153	1.5
281.08087	6.0
282.97934	2.2
283.09616	0.8
291.06573	1.1
293.08099	2.9
295.05945	1.2
297.04193	0.8
297.11215	1.0
300.99084	1.4
307.06079	1.8
307.09631	2.5
309.07523	8.5
311.09122	1.4
311.12567	1.0
315.05075	2.7
317.17813	3.8
319.06094	1.3
321.07593	1.4
323.09268	2.0
325.07086	1.1
325.10706	1.2
335.05475	1.8
335.09039	1.7
335.19141	1.3
337.06955	4.6
339.08624	1.2
347.07660	3.3
351.08398	0.9
353.10062	1.1
353.13821	2.3
355.07990	1.2
357.06000	2.3
357.13449	1.6
365.06403	1.3
367.11932	7.4
369.09808	2.5
375.07111	12.8
383.07617	8.2
385.12854	36.8
387.10883	3.5
397.09161	2.5
397.13403	1.1
409.05637	5.1
411.10855	4.1
415.10150	2.3
423.07242	0.9
481.12997	2.0
483.14557	1.2
484.49786	0.8
493.13162	1.2
511.14227	3.8
539.13348	2.2
553.15143	1.3
557.14233	3.0
567.12732	2.7
571.15881	5.9
581.14014	1.6
585.14075	7.3
589.17017	25.4
590.16589	1.0
599.15375	10.4
599.40845	0.9
617.16174	19.6
617.23785	8.9
617.36493	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	615.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90533	1.7
55.05512	18.9
57.03439	4.8
57.07080	5.0
59.37486	1.9
67.05507	50.5
69.03424	2.1
69.07072	25.8
71.05014	2.8
71.08635	2.5
79.05503	27.4
81.07059	55.9
83.08629	15.0
89.06031	3.9
91.05479	18.1
91.67307	1.7
93.07050	36.1
95.05028	1.7
95.08616	40.7
97.10191	9.2
98.21593	3.9
99.08109	3.3
105.07036	22.1
107.08597	25.2
108.77392	1.9
109.10164	21.4
117.07039	7.7
119.08575	23.8
121.10152	18.6
123.08039	2.7
123.11718	8.9
129.07037	3.9
130.07697	1.9
130.89357	2.0
131.08575	12.9
133.08672	3.2
133.10144	16.3
135.11696	13.3
137.13283	3.1
143.08551	3.8
145.10101	14.9
147.11726	13.0
149.13300	8.4
157.10159	5.2
159.11752	5.7
161.13300	4.5
163.14722	2.6
171.11667	4.3
173.13290	3.3
175.14903	3.7
177.16579	3.3
187.14879	4.4
189.16418	3.1
199.14868	4.2
213.16512	2.6
217.19522	2.2
221.39798	2.1
243.21294	3.3
259.20718	4.5
261.22186	7.7
273.22070	2.3
333.24185	3.4
335.25842	8.1
337.27536	11.7
339.29050	2.8
523.45087	3.9
533.56555	2.1
541.46130	3.3
597.48657	12.6
615.49866	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	615.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89582	0.4
52.69401	0.4
55.13366	0.4
59.98419	0.4
65.92980	0.4
67.05490	0.5
70.60542	1.0
70.60905	0.9
74.52028	0.5
81.03445	0.6
85.02930	0.5
90.81748	0.5
91.05492	0.9
93.07059	0.6
93.12400	0.4
103.05453	0.4
105.07007	0.9
107.08553	0.7
109.10206	0.8
125.70370	0.5
128.60065	0.5
137.06039	0.9
156.05034	0.4
163.03864	0.6
163.51198	0.4
194.45509	0.6
213.05516	0.5
271.06097	1.5
284.06750	1.0
286.05121	0.6
289.05212	0.6
299.05881	0.9
299.09241	3.1
329.23422	0.7
331.24945	1.1
349.26291	1.6
367.28110	3.9
375.23239	0.5
493.30707	0.7
511.32239	4.4
529.33533	4.2
541.34143	0.7
553.33630	6.8
571.34576	22.8
572.34851	0.5
597.32440	19.3
615.33551	100.0
616.33698	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	615.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96677	1.8
62.71093	1.7
63.29450	2.2
63.79280	1.9
67.05493	5.6
69.07059	7.7
79.05494	5.0
81.07058	12.2
82.39325	1.9
84.18523	1.8
91.05485	72.1
93.07035	9.0
95.04976	4.3
95.08588	8.0
98.21482	7.6
105.07024	13.3
107.04963	3.9
107.08592	6.0
109.10152	8.4
117.06982	4.0
117.11364	1.8
119.08608	9.7
119.09373	1.7
121.06471	3.2
121.10152	5.8
131.04942	2.1
131.08554	5.6
133.10114	7.8
143.08632	3.2
145.10117	5.6
147.08028	2.8
147.11644	4.8
151.07587	4.0
155.08470	2.3
157.06450	2.6
157.10155	2.3
159.11742	3.3
161.05966	3.1
161.13235	3.0
163.03922	2.7
167.08537	2.2
175.03917	12.2
177.05501	3.5
179.08554	5.1
183.08154	2.5
183.11781	2.1
187.14772	2.6
189.05463	2.5
191.07059	3.8
193.04956	4.0
197.09474	2.2
201.09039	2.8
201.16449	2.7
203.07085	17.1
203.17973	4.2
211.07597	2.8
221.15276	2.6
225.09113	8.5
227.10732	4.1
235.07547	6.6
241.08553	2.9
243.10153	6.0
253.08617	100.0
259.16727	7.7
267.10056	4.1
271.09784	9.5
279.06647	2.3
285.11209	2.0
305.07907	6.4
307.09396	22.4
361.14172	25.1
377.13870	3.8
377.21133	96.3
379.15173	68.4
394.03015	2.4
395.14679	77.0
395.22412	3.8
397.08859	6.6
403.86105	2.2
411.14130	2.9
433.16956	3.4
501.11298	2.0
508.27478	2.3
597.31213	7.4
597.39868	4.3
615.32910	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.0
55.01871	1.3
55.05524	4.5
57.07075	1.2
59.04991	1.2
61.60086	0.8
65.03926	1.0
67.05517	6.2
68.01669	0.9
69.03435	3.8
69.07076	13.2
71.08652	1.2
71.16348	1.5
71.16694	0.9
72.94045	1.0
79.05495	4.9
81.03425	2.2
81.07063	13.4
83.04980	1.7
83.08617	2.8
85.02908	1.4
85.06543	1.1
89.06030	3.0
91.05482	9.3
93.03448	1.0
93.07042	7.1
95.01332	1.8
95.04968	2.1
95.08601	9.4
99.04453	1.1
100.52557	0.9
100.66098	1.0
101.06023	3.4
103.05445	1.3
105.07039	11.9
107.04932	1.7
107.08613	6.4
107.15936	0.9
109.02845	1.1
109.06548	2.8
109.10171	8.7
111.04422	6.8
113.03966	0.8
113.06009	1.9
117.07018	2.6
119.05030	1.2
119.08587	10.8
121.06518	3.1
121.10181	4.3
121.78300	0.9
123.11730	2.2
125.09631	1.4
128.06256	2.3
129.06999	3.2
131.08553	4.9
133.06511	1.2
133.08598	2.2
133.10143	4.2
135.04410	2.7
135.08038	1.4
135.11736	2.5
137.05994	2.8
137.13312	1.0
141.05478	2.0
141.07056	1.5
143.07034	1.9
143.08562	3.5
144.05627	1.2
145.06541	1.7
145.10107	4.2
147.04396	2.1
147.08058	5.4
147.11717	4.4
149.02376	3.2
149.05910	1.1
149.13263	2.2
151.03947	2.0
151.07549	2.2
155.08542	2.8
157.06496	1.2
157.10126	2.1
159.08034	2.9
159.11720	2.2
161.02354	7.9
161.06000	9.0
161.09546	1.1
161.13309	1.9
163.03984	2.8
163.07605	1.0
167.03436	1.8
167.08582	1.8
169.06429	1.5
169.10126	2.0
171.08086	2.1
171.11717	1.2
173.05966	1.8
173.09648	1.9
173.13266	1.7
175.03929	1.9
175.07600	3.2
175.11244	1.3
175.14807	1.0
177.05487	1.2
179.07062	1.9
179.08551	2.1
181.06456	1.4
181.10164	2.6
183.08052	1.3
183.11671	1.1
185.05978	6.9
185.09625	2.1
185.13272	1.4
187.03899	1.4
187.07556	2.7
189.09129	4.3
189.16452	0.9
191.07036	1.3
195.08069	1.9
197.09616	2.8
197.13301	1.2
199.07516	2.4
199.11327	1.1
199.14798	1.3
201.09140	2.2
201.16364	2.0
203.07042	100.0
203.18024	3.9
209.06122	1.5
209.09697	3.3
211.07558	2.7
211.11147	1.7
213.09193	2.5
215.10674	1.8
217.08629	1.5
219.08202	1.1
219.11722	1.1
221.09547	2.9
223.07625	1.6
223.11227	2.8
225.09178	3.1
227.07144	1.5
227.10686	2.0
229.08589	2.5
229.15993	1.3
235.07666	1.1
237.09210	1.9
239.10699	3.1
241.08539	2.6
241.12218	2.1
243.10187	5.5
247.11142	1.3
251.07118	1.6
251.10654	2.1
253.08694	1.8
253.12242	3.4
257.08063	1.8
263.10812	1.5
267.10193	1.3
269.08151	2.5
269.11832	3.0
269.19019	1.6
271.09760	1.0
271.20590	2.1
277.08658	1.5
277.12366	1.2
279.06488	1.5
279.10315	1.5
282.09003	0.9
290.09314	1.0
291.10175	3.0
291.13568	1.4
293.11859	1.4
295.16995	2.3
297.11218	2.0
297.18576	2.8
301.08411	1.1
303.06665	1.7
303.10172	1.1
305.08194	1.2
305.11734	1.6
309.11090	4.2
311.12820	1.2
319.09784	2.2
321.11288	2.1
323.12994	1.6
331.20648	1.4
333.07635	2.4
333.11218	2.5
337.10553	1.3
348.09955	1.9
349.10733	3.7
351.12329	3.0
361.10486	1.4
361.14435	1.3
363.23172	2.5
365.10068	1.2
379.11722	2.8
379.22427	1.4
381.24225	1.8
389.21216	1.9
393.13339	1.8
395.20831	2.4
395.25900	48.4
407.22070	3.4
411.14413	36.5
413.16464	1.3
413.27219	1.3
425.16190	2.2
427.15533	1.5
429.27869	1.2
439.24680	4.5
471.25430	1.8
473.26947	2.6
526.24188	1.1
539.24121	3.8
565.29425	3.7
583.30975	5.6
597.31580	4.6
615.32806	10.9
615.41803	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.5
55.01852	1.4
55.05515	2.7
57.07075	1.5
58.18815	1.1
67.05503	6.5
69.03409	1.3
69.05776	1.0
69.07064	7.4
70.58759	2.4
79.05492	6.5
81.03431	1.3
81.07066	11.5
83.08607	1.7
89.06028	4.6
90.87011	1.0
91.05489	11.7
93.07050	6.6
95.04970	2.1
95.08607	8.1
103.05482	2.2
105.07046	14.1
107.04938	2.2
107.08604	8.6
109.06509	3.1
109.10145	6.6
111.04430	1.3
115.05479	1.3
117.07013	3.1
119.04929	1.9
119.08595	10.4
121.06512	3.5
121.10149	3.9
123.08050	1.1
123.11712	1.6
125.05988	1.8
125.09570	1.2
128.06235	3.0
129.07004	3.0
131.08562	3.2
133.02820	1.5
133.06522	2.5
133.08601	2.4
133.10135	5.5
135.04428	2.3
135.08022	2.6
135.11656	2.1
137.06010	2.3
137.13275	1.3
143.08540	4.0
145.06468	4.1
145.10104	5.1
146.55972	1.1
147.04443	2.6
147.08067	2.8
147.11690	6.3
149.02327	2.0
149.06027	6.1
149.13268	2.1
151.07558	2.3
153.05412	1.5
155.07147	1.3
155.08484	2.8
157.06477	1.9
157.10130	2.0
158.07228	1.4
159.08054	3.2
159.11696	5.0
161.02402	6.7
161.05975	4.2
161.09579	1.5
161.13274	2.8
162.06851	1.3
163.03909	2.8
163.07542	3.5
165.06976	1.9
165.09152	1.7
167.03365	2.2
168.04160	1.4
169.10165	2.6
171.11649	1.7
173.05988	2.3
173.13330	1.4
175.03867	1.8
175.07574	4.6
177.05482	12.9
178.06244	2.7
179.07008	2.7
179.08479	2.6
181.09998	1.1
183.08032	2.2
185.05986	4.9
185.09547	1.3
187.03899	2.3
189.05493	5.7
189.09071	3.5
189.16336	2.2
190.06248	3.2
191.07042	14.5
192.07848	2.6
193.08562	3.0
195.08032	1.5
199.07547	3.1
199.11049	1.4
201.05486	1.8
201.09096	2.6
201.16396	4.5
203.07047	100.0
203.17979	5.8
205.04890	1.6
206.05765	2.7
207.06535	1.7
207.11641	1.4
209.08051	2.6
211.07523	2.1
213.09163	3.3
215.10701	2.0
221.08134	1.4
223.11354	1.2
225.09190	2.8
227.07062	1.4
229.08612	3.2
234.05209	2.2
241.08595	3.6
243.10181	35.5
259.20670	1.4
269.08078	4.8
279.17352	1.6
343.22794	1.5
349.10773	2.3
349.21658	2.2
351.12177	2.5
379.11694	12.4
381.13245	1.7
381.24231	5.8
393.13226	4.3
395.14862	3.9
401.00485	1.4
407.14816	4.2
411.14474	5.3
413.15930	1.4
421.23703	2.8
425.16003	16.0
439.24695	2.5
477.09158	1.2
482.93420	1.2
540.43109	1.3
551.27826	3.8
565.29401	6.0
583.23157	1.4
583.30804	15.7
597.32123	6.5
615.32874	12.4
615.48669	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	615.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01865	1.5
55.05506	2.4
57.07066	1.0
61.01143	0.8
62.42518	0.8
67.05509	4.5
69.07066	6.5
69.85571	4.8
79.05499	5.8
81.03413	2.0
81.07070	9.5
83.08633	1.1
91.05491	8.7
93.07053	6.9
95.01337	1.0
95.04984	3.8
95.08615	7.8
98.21417	1.5
99.01939	0.7
99.04459	0.8
103.05439	0.9
105.07040	8.8
106.04176	1.0
107.04933	1.3
107.08599	4.7
109.06525	3.4
109.10164	5.4
111.04448	2.0
115.05452	1.3
117.07025	3.0
119.04859	1.2
119.08607	8.1
121.06516	8.0
121.10147	4.8
123.08076	0.8
123.11702	2.6
125.06007	1.7
128.06241	1.8
129.07014	3.7
131.04961	1.7
131.08583	5.5
133.02878	1.6
133.06479	1.4
133.10126	4.8
135.04442	3.9
135.08020	1.2
135.11679	1.7
136.05153	1.1
137.02338	1.4
137.05969	1.6
139.07542	1.4
141.06995	1.8
143.08578	3.4
145.06511	2.4
145.10132	4.5
147.04422	4.3
147.08040	4.3
147.11684	4.5
148.05186	1.9
149.02353	2.8
149.05965	4.7
149.13269	2.3
151.03957	1.2
151.07510	5.2
154.07794	1.2
155.07050	1.5
155.08563	4.1
157.06551	1.9
157.10168	2.8
159.04475	1.1
159.08090	1.2
159.11702	2.4
160.05174	1.2
161.02350	9.1
161.06013	6.0
161.09589	1.4
161.13293	3.1
163.03886	2.5
163.07504	1.5
164.04732	1.6
165.06909	1.1
165.09119	1.6
167.03293	1.4
167.07071	2.5
169.06543	1.3
169.10127	3.4
171.08080	2.2
171.11679	1.6
173.09639	1.5
173.13278	1.8
175.03886	2.5
175.07588	3.1
176.04706	1.2
177.04051	1.1
177.05501	16.6
177.09058	1.1
179.07053	6.3
179.08609	2.1
181.06494	1.4
181.10167	1.5
183.08069	1.4
183.11597	1.0
185.05975	7.5
185.09586	1.6
187.07529	2.1
187.14876	1.0
189.05551	1.2
189.09132	2.3
189.16380	1.5
191.07030	18.4
192.07817	26.8
195.08119	1.8
195.11797	1.2
197.09641	1.4
197.13213	2.1
199.07526	2.0
199.11279	1.2
201.09093	4.0
201.16382	2.0
203.03337	3.3
203.07040	100.0
203.17938	4.2
204.07408	1.2
205.04898	1.1
205.08536	1.3
207.06511	3.0
208.08730	1.1
209.08116	2.6
211.07530	1.9
211.11292	1.2
213.09042	4.3
215.07187	1.3
215.10750	1.6
217.08614	1.2
223.11188	1.2
225.09056	1.4
227.10728	1.9
229.08633	4.7
237.09232	1.3
239.10698	1.0
239.17999	1.0
241.08658	1.9
241.12218	1.0
243.10201	9.8
249.09279	1.0
253.08804	1.3
257.07983	1.0
269.08145	3.3
269.64688	1.0
271.09860	1.4
279.10098	0.9
279.17398	1.1
283.16959	1.0
285.11285	1.1
293.59167	0.9
297.18613	1.0
313.21475	1.3
321.11215	1.7
321.22055	1.4
323.12787	1.6
323.20078	1.3
339.15796	1.8
341.21088	1.1
343.22632	2.1
347.09128	1.5
349.10703	3.0
349.21793	1.6
353.24609	1.4
355.22321	1.1
363.23181	1.6
367.15350	11.3
379.11774	14.8
379.22672	1.5
381.13287	1.9
381.24103	6.4
389.21179	1.5
395.25836	2.5
407.22256	2.0
411.14392	21.6
413.27029	1.4
421.23709	3.4
425.16095	1.3
439.24890	6.3
523.28687	1.3
551.27740	1.4
555.31232	1.4
565.29431	3.2
583.30792	4.3
597.31903	1.0
615.33105	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	615.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
54.33755	1.6
55.05499	7.9
57.07059	4.5
65.03942	2.7
67.05510	19.7
69.03421	2.9
69.07072	18.0
71.04981	3.4
71.48978	3.3
75.04478	2.0
78.37695	1.5
79.05491	8.9
81.07062	26.5
83.08611	4.7
85.06493	2.1
89.06022	4.3
91.05486	19.2
93.07050	18.1
95.04946	5.1
95.08607	24.1
97.10162	3.1
99.04434	3.9
101.06017	3.5
103.05470	1.8
105.07038	24.8
107.04949	3.6
107.08607	20.9
109.06505	6.2
109.10162	16.2
117.07033	5.9
119.04829	2.1
119.08597	19.2
120.60505	1.8
121.06496	7.8
121.10126	10.7
123.08064	2.1
123.11702	7.7
125.05989	2.5
125.09677	2.3
128.06322	2.8
129.07004	5.4
130.07822	1.8
131.08578	8.2
133.02898	1.8
133.06511	2.1
133.08623	3.3
133.10181	12.9
135.04428	2.8
135.08086	3.6
135.11665	8.1
137.05940	3.9
137.13258	3.6
141.06958	4.2
143.08569	4.5
145.06473	3.8
145.10130	10.7
147.04349	3.3
147.08025	6.8
147.11690	17.2
149.02350	2.9
149.05983	4.2
149.09631	2.3
149.13243	3.3
149.42175	2.0
151.03903	1.8
151.07509	7.4
153.05547	2.3
155.08554	6.6
157.06570	2.9
157.10126	4.1
159.08107	4.4
159.11674	9.5
161.02423	8.7
161.05963	7.1
161.09695	1.9
161.13255	7.5
163.03943	3.6
163.07545	5.2
163.14818	3.1
167.03389	2.8
167.07004	3.2
167.08499	3.0
168.05528	1.8
169.06427	3.1
169.10167	4.6
171.08029	5.7
171.11653	4.5
173.05907	4.1
173.09615	4.8
173.13269	3.3
173.69029	1.7
175.07507	8.5
175.14796	2.8
177.05431	4.7
178.07787	2.1
179.07030	8.9
179.08450	3.7
181.06485	2.5
181.10110	3.6
183.08037	5.0
183.11691	4.8
185.05975	6.2
185.09596	4.8
185.13264	2.0
187.03926	4.7
187.07603	4.4
187.11221	2.0
187.14760	3.7
189.05441	4.2
189.09145	8.7
189.16234	2.0
191.07042	18.0
192.07828	21.9
193.04945	2.3
193.10083	3.5
195.08000	3.2
195.11720	2.0
197.09644	5.0
197.13249	3.0
199.07559	4.7
199.11189	3.8
199.14729	2.5
201.09157	12.6
201.16370	7.3
203.07042	100.0
203.17973	16.3
204.07468	2.8
205.08556	2.8
207.06447	2.7
207.08179	2.9
209.08015	2.6
209.09666	2.7
211.07573	5.0
211.11176	3.9
211.14836	2.1
213.09093	10.4
213.12759	2.4
214.10117	1.8
215.10677	4.7
215.14302	3.2
217.54228	1.9
223.11131	2.3
225.09122	6.3
225.12794	2.7
227.07025	3.7
227.10710	3.5
229.08597	5.2
231.10045	2.7
235.11125	1.9
237.12787	1.9
239.10681	2.4
239.14317	2.1
241.08586	3.3
241.12128	2.8
243.10188	42.1
243.13849	2.7
249.12631	2.5
251.07448	1.8
253.12242	4.8
255.13707	2.1
261.11313	2.1
263.14035	1.9
263.17932	3.5
265.12451	2.9
267.13770	4.0
269.07986	2.4
269.18948	2.2
280.14566	2.0
281.15311	2.9
281.18903	2.2
290.16660	2.1
291.17438	5.4
293.15387	4.3
295.20685	4.6
305.19049	3.2
309.18466	6.7
321.22037	4.1
323.20062	87.1
324.20728	11.8
331.20529	4.8
341.21152	4.5
349.10788	2.2
349.21606	13.2
353.24738	24.4
355.22733	19.9
356.22952	2.1
363.23108	2.7
367.15460	7.3
381.13367	5.0
381.24255	10.2
385.27252	4.8
395.25879	2.5
411.14255	11.3
413.15970	2.6
487.71985	2.1
523.28296	5.3
533.26923	3.4
551.27802	17.8
555.31067	32.4
565.29529	7.5
583.21661	3.0
583.30493	44.5
587.33429	6.8
597.49744	2.6
615.33258	20.2
615.49481	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	615.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.9
55.05507	6.1
59.04990	2.5
62.02070	2.3
67.05501	11.5
68.83081	2.7
69.07074	24.4
70.04566	2.2
70.81976	6.2
73.06556	5.4
75.57957	2.4
79.05509	7.8
81.03426	4.3
81.07072	14.8
83.04981	2.6
83.08639	3.9
89.06046	2.8
91.05479	13.3
93.07052	12.6
95.04972	6.5
95.08616	14.3
99.08095	4.5
105.07020	13.9
107.04971	3.3
107.08601	12.1
109.06507	7.9
109.10160	13.4
119.05000	3.2
119.08591	11.6
121.06477	3.1
121.10168	8.7
123.08086	3.8
123.11687	3.8
129.07031	5.6
131.08582	7.3
133.10106	7.0
135.04422	5.9
135.11661	2.9
141.05504	3.2
143.08598	6.1
145.06451	4.5
145.10211	7.0
147.04437	7.1
147.08076	5.7
147.11707	7.0
149.02319	3.2
149.05995	14.5
149.09633	7.0
149.13264	6.3
151.03877	2.5
151.07567	3.2
155.08580	4.7
157.10170	2.9
159.04488	2.5
159.08046	4.5
159.11740	5.7
161.02335	8.8
161.05934	6.4
161.13235	3.0
163.07603	3.3
169.10110	2.8
171.08076	3.7
173.06023	2.7
175.07591	5.0
177.05508	8.1
178.07840	3.1
179.07080	13.1
179.08510	4.3
183.08141	6.0
183.11650	2.7
185.06039	5.9
185.09619	3.9
187.03918	3.8
187.07565	2.9
189.05482	3.5
189.09128	4.8
191.07097	3.5
192.07841	3.7
193.10181	3.3
195.08212	3.4
197.09758	5.3
201.09058	4.9
203.07043	100.0
207.11702	3.8
209.08081	12.9
209.09813	5.1
211.07593	4.0
211.11115	3.7
213.09140	7.4
215.10728	5.9
215.17964	7.8
217.04994	3.4
221.09651	4.1
225.09151	6.8
225.12691	2.9
227.10625	4.2
229.08649	7.2
235.11087	3.0
239.10744	6.1
239.14282	4.4
241.08528	6.2
241.12225	5.0
243.10155	52.8
247.20639	3.2
251.10638	4.3
279.13950	2.7
291.17465	4.4
293.08142	2.9
295.20532	7.6
305.19238	4.0
319.09604	4.0
321.22299	4.2
323.20007	3.3
349.10870	4.5
349.21594	12.1
351.12384	4.0
368.31134	2.5
379.11612	3.2
381.13373	10.3
381.24487	5.2
393.13306	5.0
411.14429	48.8
439.26013	2.7
445.16190	5.6
457.27356	3.0
530.38635	2.8
551.27850	9.1
565.29547	25.9
583.30798	28.1
597.32294	21.6
615.32532	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	615.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
53.53374	0.5
55.05509	1.9
57.07080	0.7
63.66097	0.5
65.03953	0.7
67.05498	2.4
69.03436	0.6
69.07075	7.5
69.62115	3.2
78.40990	0.5
79.05492	2.4
81.03414	2.0
81.07066	5.2
83.04971	0.8
83.08604	0.8
88.86526	0.5
91.05486	5.1
93.07053	4.4
95.01334	1.7
95.04974	3.0
95.08607	4.7
97.06522	0.8
101.06007	1.0
103.05462	0.8
105.03405	0.9
105.07033	5.2
107.08615	3.5
109.06510	2.1
109.10163	3.4
111.04458	1.1
115.05432	0.7
117.07009	1.6
119.04974	0.6
119.08595	4.2
121.06484	1.5
121.10139	3.1
123.11687	0.8
125.06006	4.2
128.06221	1.2
129.06998	3.9
131.08537	1.9
133.06473	0.8
133.10147	2.1
135.04434	0.8
135.08055	0.9
135.11691	1.2
137.05997	0.8
141.05458	1.0
141.06975	1.6
143.08585	1.9
145.06541	1.3
145.10112	3.0
147.04420	2.4
147.08061	3.5
147.11682	1.8
149.02348	2.7
149.13220	2.1
151.03896	0.6
153.07068	0.9
155.07033	4.2
155.08380	1.3
157.06487	2.3
157.10107	0.8
159.08052	1.0
159.11697	1.8
160.05112	1.5
161.02353	8.4
161.05995	4.9
161.13310	0.7
163.03923	1.8
165.07011	0.7
167.03391	1.4
167.08623	1.3
169.10109	1.4
171.08066	1.3
171.11745	0.7
173.05994	0.9
173.09618	1.0
175.03908	1.4
175.07547	2.5
177.16501	0.5
179.08534	0.8
181.06471	1.0
181.10109	0.9
182.10963	0.7
183.08112	1.0
183.11653	1.0
185.05989	8.4
185.09602	0.9
187.07516	1.0
187.11124	0.6
189.09167	1.6
191.08531	0.9
194.07289	0.8
195.08110	0.8
195.11661	0.6
197.05943	1.0
197.09621	1.2
198.06786	0.6
199.07611	1.4
199.11165	0.8
199.14989	0.9
201.09123	2.3
201.16386	1.5
203.07039	100.0
203.17975	2.0
204.07426	0.8
205.10287	0.9
207.08018	0.8
207.11697	0.7
209.09653	1.0
211.07556	0.7
211.11304	0.7
213.09100	1.6
215.10696	1.3
223.11201	0.8
227.10716	2.7
229.08464	0.6
233.09698	0.7
239.06950	0.8
239.14232	0.6
241.12198	0.6
243.10178	1.2
251.10553	0.9
253.08600	0.8
257.08093	0.7
259.20593	1.5
265.12216	0.8
267.10202	0.8
269.08188	1.0
269.11856	0.6
271.09726	0.5
271.20480	0.6
279.10410	0.7
279.17422	1.0
283.16904	2.4
283.20239	0.9
287.58231	0.6
289.10715	1.1
295.09488	0.7
295.20410	0.8
297.18454	2.1
327.23123	0.8
343.22714	2.2
345.24179	0.9
353.17416	0.8
361.21790	1.3
365.17474	0.8
371.18921	0.9
379.22720	2.0
389.21353	3.0
395.25983	3.1
407.22067	2.8
411.14325	1.4
411.25305	0.8
421.23770	6.1
439.24792	6.8
459.25366	0.7
565.29565	1.1
583.30310	0.7
597.32202	0.9
615.33203	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	615.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05424	1.2
55.05643	1.0
59.20452	0.7
67.05379	1.8
67.05749	1.2
69.06920	2.5
79.05350	3.3
81.06905	3.2
86.21935	0.7
91.05327	13.2
91.05937	1.8
92.05666	4.5
93.06882	4.3
95.08445	2.7
100.85169	0.7
103.05338	0.9
105.06857	5.5
107.08419	3.8
108.12597	0.8
109.06383	1.1
109.09989	2.6
113.54862	0.8
119.04818	0.7
119.08412	6.1
121.06364	1.3
121.09968	2.2
123.11603	1.0
129.06848	0.9
131.08430	2.0
133.10011	1.2
135.04214	0.9
135.11552	1.0
145.09932	2.8
147.07889	1.9
147.11508	2.3
149.02232	1.1
149.05809	0.9
149.09395	0.8
155.08426	0.7
157.09973	1.4
159.11572	1.7
160.04988	0.7
161.02124	1.0
161.05859	1.4
161.13060	0.8
163.03809	1.0
165.06789	0.9
167.08411	0.7
171.07932	0.9
173.09546	0.6
173.13168	0.9
175.07469	1.2
177.05464	3.9
179.06908	1.7
179.08449	1.2
187.03784	1.4
187.14804	0.9
189.05283	0.8
189.08943	1.5
189.16249	1.0
191.07031	0.9
201.16275	1.1
203.03214	1.6
203.07025	13.1
203.17953	0.8
205.04755	1.1
211.07477	1.3
213.08998	1.2
219.06415	0.7
225.09053	0.9
227.03027	0.9
227.06935	1.7
229.08374	2.0
241.08507	2.1
243.06230	0.7
243.10130	4.5
245.07909	0.8
251.06999	0.7
257.08090	1.4
259.09531	1.9
259.16672	5.9
267.10168	7.7
268.10486	7.6
269.07996	0.9
269.10788	2.8
277.17609	1.2
279.06201	1.0
305.07758	5.5
307.09384	7.9
319.09396	6.1
323.16202	0.9
324.16727	1.9
337.17844	0.9
343.13010	2.4
361.14114	60.5
362.14404	0.8
373.20160	1.0
374.56845	0.9
377.13672	1.6
379.15186	100.0
380.15414	1.8
395.14816	11.5
395.22055	1.5
396.15216	0.9
397.08746	0.8
421.19904	0.8
429.20840	1.0
579.27765	1.9
581.29358	1.0
583.25970	0.9
585.28729	1.1
597.28375	7.3
615.32727	44.4
616.33276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17937	2.0
55.05506	2.1
55.47142	1.9
60.48264	2.4
65.33023	1.9
67.05495	5.2
68.54288	2.2
69.07077	6.2
71.28148	3.3
79.05482	5.1
81.07054	10.8
91.05488	49.9
93.07059	10.0
95.04942	2.0
95.08608	5.7
105.03387	2.1
105.04668	2.0
105.07053	10.2
107.08607	7.0
109.06529	2.6
109.10152	5.9
109.20795	2.0
115.05542	2.4
117.07025	2.1
119.08606	10.0
119.18797	2.6
120.48241	2.2
121.06503	2.7
121.10191	3.1
131.08548	2.7
133.10146	4.5
135.11731	2.5
135.26508	2.3
143.08638	2.4
145.10120	6.7
147.08005	3.5
147.11681	4.4
149.02339	3.3
153.07066	2.1
155.08556	3.7
159.11696	2.9
171.11685	2.9
173.13286	2.6
175.03922	8.0
177.05513	7.2
179.08585	5.8
183.08061	2.2
185.05989	3.7
189.05553	3.7
191.03122	2.7
191.06995	3.8
197.09520	3.2
199.07504	3.1
203.07050	27.3
203.17906	4.4
225.09227	5.4
227.06898	2.0
229.08636	3.8
235.07524	4.9
241.08540	3.6
243.10243	12.4
253.08617	72.1
259.16751	10.2
267.10229	3.5
271.09717	4.9
284.09357	2.6
305.07956	5.2
307.09421	25.2
361.14124	38.2
365.14059	3.9
377.13821	3.3
377.21140	64.5
379.15219	100.0
395.14789	57.1
395.22186	4.0
397.08997	6.5
429.17175	2.3
597.28925	7.5
597.39490	2.5
615.32904	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	615.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.2
55.01876	4.4
55.05511	9.1
57.07073	3.9
59.06123	2.6
62.39106	3.2
65.03936	5.4
67.05510	21.3
69.07079	17.2
69.22466	27.5
71.10775	2.4
79.05495	19.0
81.03402	5.2
81.07051	25.3
83.08607	3.1
89.06038	15.3
91.05490	30.1
93.03388	3.3
93.07058	33.0
95.04968	5.8
95.08606	26.5
96.58819	2.2
97.06497	3.5
98.21521	6.0
101.07143	3.2
103.08722	3.0
105.07041	38.7
107.04958	11.4
107.08592	25.0
109.06496	8.0
109.10157	20.8
109.95374	2.5
110.28928	2.5
117.06998	10.4
119.08597	24.7
121.06536	19.5
121.10163	14.1
123.08058	6.4
123.11709	7.1
129.06987	8.5
131.04890	4.0
131.08585	21.3
133.02829	6.2
133.06488	5.1
133.08586	8.1
133.10141	15.9
135.04369	3.9
135.08052	4.1
135.11679	12.0
137.05959	5.5
142.07715	3.5
143.08548	8.7
144.09340	3.6
145.06461	7.1
145.10146	19.5
147.04399	8.7
147.08066	27.5
147.11699	13.5
149.02409	5.9
149.06006	6.3
149.13266	4.5
151.03864	6.3
151.07523	5.1
153.05447	4.3
155.08548	6.1
157.10147	12.0
159.08058	3.3
159.11693	11.2
161.02316	9.0
161.05971	9.6
161.13245	9.8
163.03891	7.5
163.11189	4.6
163.14771	3.0
165.05470	7.5
167.03378	6.1
167.08545	4.1
169.10170	4.0
171.08043	4.8
171.11711	6.7
173.05971	3.8
173.09576	4.2
175.04004	6.3
175.07544	5.8
175.11140	5.2
175.14803	6.3
177.05467	38.0
177.11238	3.0
178.02594	6.7
179.07043	8.6
179.08549	6.1
181.04897	3.7
181.06441	3.5
185.05934	5.3
185.13234	4.6
187.03868	6.9
187.14732	7.6
189.05461	13.5
189.09084	10.2
189.12834	3.6
189.16374	10.9
191.03410	19.1
191.07007	8.9
191.17860	3.3
192.07805	3.4
193.04967	21.2
195.06480	3.3
195.08063	3.6
198.06653	3.5
199.07526	3.6
199.14822	3.8
201.05414	5.2
201.09055	3.8
201.16357	12.7
203.03377	7.0
203.07039	100.0
203.17914	7.9
205.05017	18.4
207.06529	7.6
209.04503	3.1
209.09604	2.9
211.07570	4.6
213.05498	4.5
213.09055	11.4
215.07059	4.7
215.10617	3.3
219.06520	5.1
221.04353	5.6
221.15405	3.3
225.09071	5.5
226.06169	5.0
227.07085	11.4
229.08620	19.1
231.17488	57.6
241.08586	8.2
243.10190	51.9
251.10533	3.6
253.08504	4.3
257.08066	5.1
259.09686	5.5
263.10651	4.0
267.10190	4.9
269.07950	5.8
275.16034	3.6
279.10117	3.6
293.17261	7.3
295.16678	2.8
297.11279	3.6
301.08270	3.2
305.07800	4.3
307.09485	10.5
319.09607	3.8
321.14886	3.6
335.16449	3.7
337.14316	3.2
345.14587	18.4
347.09064	4.7
349.10797	3.6
355.19177	4.1
361.14160	13.1
363.15854	3.1
363.19687	4.0
365.13779	10.0
375.19473	3.3
377.21088	4.3
379.11575	6.7
379.15460	43.7
381.13321	9.0
381.20499	3.6
383.22244	4.1
385.12885	7.7
395.14911	18.5
395.21973	10.9
397.12701	4.7
407.10965	5.1
411.14337	11.5
413.22919	3.7
425.12357	25.6
429.20493	5.3
517.49225	2.7
535.24237	3.6
565.25854	26.6
567.26953	4.4
569.28503	5.3
579.27087	6.0
583.26886	6.5
597.28448	54.3
615.32635	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	2.0
53.03930	3.6
55.01872	4.4
55.05499	8.5
57.07064	7.3
59.27426	1.8
65.03959	2.3
67.05513	15.8
69.03431	3.4
69.07073	25.3
69.84591	8.9
70.35365	1.9
71.08626	5.3
79.05495	13.4
81.03388	2.3
81.07059	22.1
83.04941	2.2
83.08630	4.1
85.02901	8.6
89.06025	7.9
91.05476	19.2
93.07040	17.1
94.52987	1.8
95.04972	4.7
95.08618	17.6
98.20766	3.7
105.03373	2.4
105.07044	25.4
107.04990	4.8
107.08598	21.7
109.06508	5.0
109.10151	21.1
115.05461	3.0
117.07037	5.4
119.04952	2.2
119.08591	21.5
121.06519	8.9
121.10135	10.9
123.04454	2.9
123.11795	4.4
128.06233	3.2
129.06967	6.2
129.91833	2.0
131.04947	3.6
131.07722	2.3
131.08586	11.9
133.02837	3.0
133.06502	4.3
133.08580	5.1
133.10098	9.8
135.04390	2.6
135.08051	2.5
135.11697	6.6
137.05966	3.0
141.06989	4.6
142.07689	2.4
143.08569	5.9
145.06488	2.8
145.10126	13.8
146.60674	1.8
147.04430	4.2
147.08040	7.2
147.11665	10.0
149.02357	5.2
149.05937	5.9
149.13222	3.9
151.03896	4.0
151.07579	2.0
153.05476	4.6
153.06871	2.2
154.07669	2.1
155.08519	4.2
157.06532	3.6
157.10158	4.6
159.04478	2.6
159.08134	5.2
159.11726	11.3
161.02356	8.1
161.06030	10.5
161.09583	3.7
161.13333	2.9
163.03920	4.0
163.07478	2.6
163.11174	2.0
163.14825	2.6
165.05553	2.5
165.06984	4.5
165.09131	1.9
167.03389	3.1
167.07082	3.5
167.08568	2.2
171.08037	4.2
171.11713	5.4
173.05966	3.3
173.09634	3.1
173.13266	4.3
175.03963	3.8
175.07571	6.3
177.05493	30.0
177.09045	3.4
179.07043	4.6
179.08485	3.3
181.06517	5.1
183.08025	6.5
185.05978	6.9
185.09607	3.2
187.03842	4.5
187.07567	5.3
187.14839	6.1
189.05505	10.7
189.09125	7.0
190.06136	3.0
191.03174	3.1
191.07051	12.6
193.04985	6.7
195.08099	4.9
197.05975	4.9
197.09598	4.0
197.13272	2.5
198.06801	4.0
199.07527	5.1
199.11052	2.6
199.14896	5.2
201.09157	6.1
201.16367	9.4
203.03372	6.5
203.07040	100.0
203.18112	2.7
204.07483	4.4
205.05000	4.6
205.08655	5.0
207.06494	6.3
209.09682	2.7
211.07614	9.2
213.09108	10.9
213.16571	2.2
214.06279	3.5
215.07094	7.1
215.10597	3.2
217.08609	2.7
219.06451	4.1
223.07532	4.2
225.09140	5.1
226.10030	2.6
227.07071	6.1
227.10756	6.7
229.08591	22.3
231.10120	2.7
237.09085	3.3
241.08580	9.3
243.10172	37.2
245.08003	14.0
253.08649	2.9
255.10002	2.6
257.08081	9.8
259.09766	4.2
263.10660	3.2
267.10504	2.2
267.13672	2.1
269.08102	5.8
269.11627	2.3
275.09201	5.7
281.15363	2.0
305.08017	3.9
307.09439	7.3
311.20123	5.5
321.18561	3.2
323.09375	3.4
333.11172	2.3
339.19455	12.1
341.21225	17.2
349.10767	2.5
361.14294	9.8
365.14072	9.6
377.14163	2.3
377.21057	5.1
379.11627	7.6
379.15878	13.6
383.22147	2.4
393.13086	3.2
395.14557	8.8
395.22183	14.6
397.08765	4.3
397.13342	3.8
411.14313	6.6
421.20062	3.1
445.16290	4.2
449.16040	6.3
512.28442	2.0
567.28070	3.0
569.28247	2.4
571.30359	3.1
579.27338	5.8
581.29077	11.6
583.27618	4.2
597.28351	28.8
615.31750	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
55.05510	3.5
62.38204	1.1
64.82748	1.2
67.05509	8.6
69.03430	2.1
69.07076	7.2
69.82143	1.2
69.84919	4.2
72.07280	1.2
79.05489	6.7
81.03411	2.1
81.07063	11.5
83.01357	1.5
83.04996	1.5
83.08628	2.5
85.02899	1.4
91.05485	15.1
93.03440	2.8
93.07066	9.2
94.59763	1.5
94.95016	1.2
95.04971	4.5
95.08624	11.7
103.05479	1.9
105.07053	14.4
107.04939	1.9
107.08607	10.1
109.06519	2.5
109.10184	9.1
115.05447	1.3
117.07040	4.2
119.04945	1.8
119.08583	10.6
121.06526	6.5
121.10162	11.7
123.04449	4.3
123.11742	3.2
125.06024	1.3
129.07019	3.3
131.08537	6.3
131.31778	1.3
133.02829	1.4
133.06522	2.4
133.10150	13.3
135.04434	1.7
135.08080	1.8
135.11783	2.3
137.05905	1.3
137.09700	1.5
137.13315	1.4
141.07014	1.3
142.07820	1.6
143.08568	4.2
145.06544	2.9
145.10141	8.2
147.04366	2.9
147.08086	4.3
147.11691	4.8
149.02364	4.1
149.05983	3.1
149.09612	2.3
149.13220	2.4
151.03900	4.0
151.07562	3.1
153.05588	1.6
153.06856	1.4
155.08629	2.4
157.10168	4.1
159.04414	1.6
159.08041	1.8
159.11682	5.1
161.02350	3.6
161.06052	5.4
163.03880	1.3
163.11168	2.1
165.05556	2.2
165.07008	1.4
167.03448	3.8
167.10689	3.5
169.10213	1.9
171.08138	1.9
173.05980	2.6
173.09602	2.6
173.13303	2.8
175.03929	2.2
175.07573	2.2
175.14879	1.5
177.05502	19.9
179.07068	3.8
179.08556	2.5
181.05009	6.4
183.08116	1.8
185.06036	3.6
185.13272	2.4
187.03906	2.6
187.07590	3.0
187.14857	3.3
189.05489	6.3
189.09161	5.0
189.12764	1.5
189.16400	1.9
191.07062	4.6
192.04201	1.3
195.08049	2.9
197.09697	2.1
199.14818	2.3
201.05521	2.5
201.09189	4.4
201.16454	3.8
203.07043	83.7
205.04974	18.5
207.06566	13.2
211.07610	3.3
213.05493	1.4
213.09210	4.0
215.07103	2.8
217.04945	1.6
217.08504	2.0
221.15341	2.7
223.07631	2.1
224.08208	1.4
225.09132	1.5
227.10779	1.3
229.08609	16.7
231.06482	1.5
231.10234	2.9
235.07568	1.7
241.08672	4.7
243.10185	15.6
245.07953	2.1
251.10735	1.5
253.08614	3.7
259.09576	2.1
265.08652	4.3
265.12125	1.3
269.11658	1.5
269.29422	1.4
271.09622	1.5
273.11407	1.9
273.14883	2.2
281.11728	2.0
295.13284	2.9
305.15643	1.5
307.09717	1.4
307.13351	1.7
309.14932	1.6
317.15262	1.8
320.19571	1.9
321.14963	2.0
335.16507	1.7
337.17789	1.4
341.17703	1.6
353.17545	2.0
355.19000	4.5
357.16998	3.4
363.19473	2.3
365.13971	2.5
371.18604	22.9
372.19385	4.4
373.20099	4.3
379.11703	3.5
379.15744	1.7
392.82544	1.3
393.13632	1.8
395.14847	2.3
395.22131	3.6
397.12781	1.6
409.12833	3.2
411.14215	3.3
425.16055	3.5
435.14441	1.4
457.12943	5.3
477.18973	1.5
538.36395	1.5
555.23694	4.2
565.25958	3.5
569.28815	2.1
579.27423	2.7
583.26764	3.9
597.28735	14.9
600.27142	2.7
610.56744	1.5
615.29474	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	615.2593
Annotation	Beilschmieflavonoid A
Peak:m/z	Relative Intensity
53.03947	0.5
54.05525	0.3
55.05515	0.9
58.75833	0.3
60.40932	0.3
63.88935	0.4
66.05888	0.3
67.05511	1.0
69.07061	1.6
71.08706	0.7
71.09052	0.4
78.28533	0.4
79.05487	0.9
81.07053	1.4
91.05489	22.4
92.05798	0.5
93.07037	1.5
95.04952	0.8
95.08604	1.1
103.05435	0.6
105.03429	0.7
105.07029	2.1
107.08597	1.0
107.72864	0.4
109.02857	0.4
109.06506	0.6
109.10176	1.1
115.05463	0.5
117.07008	1.2
119.05025	0.5
119.08585	1.3
121.02862	0.5
121.06507	15.0
121.10142	0.6
123.11781	0.6
129.07002	0.6
131.04971	0.5
131.08604	0.5
133.10179	0.4
134.03712	0.4
135.04407	0.7
135.11713	0.7
140.27422	0.4
141.07016	0.5
142.12378	0.4
145.10144	1.0
147.04497	0.5
149.02341	1.3
149.05981	4.1
151.03906	3.3
155.08562	1.4
159.04474	0.6
162.03081	0.6
163.03862	0.4
163.11346	0.4
165.06958	2.0
167.03427	1.0
167.08591	0.6
175.03969	1.9
177.05479	63.0
178.05925	0.7
178.07805	0.7
179.08589	1.7
181.10097	1.3
183.08051	2.4
185.06061	0.3
187.03889	1.1
189.05435	0.5
189.09155	0.5
191.08582	1.4
193.05011	3.7
193.06532	0.6
195.08174	0.6
197.09593	0.8
199.07483	0.6
201.09073	0.4
201.16301	0.4
203.03448	0.8
203.07031	4.7
205.04973	100.0
206.05438	0.7
207.08046	1.0
209.09712	0.8
211.07532	1.4
213.09216	0.5
217.58064	0.4
219.07942	0.8
225.09055	1.4
227.10616	0.5
229.08609	0.7
235.07587	1.7
237.09065	1.2
241.08603	0.6
243.10135	0.9
247.07623	0.5
253.08604	12.5
257.08014	0.6
263.07144	1.7
265.08615	16.1
271.09567	0.6
279.10123	0.5
281.08038	0.7
291.10373	0.4
305.07928	0.4
305.11459	0.4
375.19604	3.8
379.11539	1.6
379.15210	1.2
393.20694	4.1
395.14703	0.9
421.11111	0.5
439.11572	1.5
457.12851	35.9
458.13284	0.5
475.14099	0.8
531.58514	0.4
561.22406	0.6
579.23785	6.8
597.24786	14.2
615.25494	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	615.2569
Annotation	917-23-7
Peak:m/z	Relative Intensity
50.91064	0.7
55.05495	1.3
67.05508	2.7
67.44321	0.6
69.07059	2.2
69.38260	0.9
69.38660	5.2
79.05498	2.2
81.07059	3.1
83.08611	0.8
91.05483	3.6
93.07038	3.0
95.04975	1.4
95.08604	2.2
105.07033	4.0
107.08607	3.3
109.06507	0.8
109.10165	2.7
117.07061	2.2
119.08605	3.9
121.06543	0.9
121.10159	1.8
123.11720	1.2
125.09708	0.8
129.07048	0.9
131.08588	1.9
133.10155	1.7
135.11659	1.1
143.08527	1.7
145.10133	3.2
147.04379	0.9
147.08044	1.0
147.11693	1.6
151.07521	1.5
155.08484	0.8
157.10136	1.4
159.11710	1.8
161.02275	0.9
171.11743	0.9
173.02150	2.5
175.11153	1.1
177.05504	2.4
177.09439	0.8
181.06543	0.8
181.74268	0.7
183.11664	0.8
185.13327	0.9
189.05573	0.8
189.09172	1.0
190.02370	6.1
191.03181	25.6
191.06955	1.4
193.04916	0.8
201.16458	1.7
203.07033	10.5
211.07674	0.9
215.03221	1.9
221.15414	1.6
229.04834	1.3
229.08630	1.6
230.05498	1.5
241.08688	1.2
243.10233	3.3
322.17059	0.9
379.07904	10.8
379.15436	2.4
395.22256	1.4
397.08969	37.6
409.19995	10.2
499.64020	0.9
555.23444	1.0
567.28046	1.1
597.17542	0.8
597.28522	2.3
615.25543	100.0
616.25952	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	615.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25840	1.1
65.03949	1.8
67.05527	2.3
69.03391	1.1
69.32675	5.8
69.33102	4.5
70.01557	1.0
79.05492	2.7
81.07055	2.3
91.05470	5.4
93.07014	1.6
95.01332	1.4
95.04989	7.8
98.20764	2.5
103.05473	2.7
103.10986	1.2
105.07017	1.5
107.04961	2.8
108.11234	1.2
109.06522	1.9
111.01305	1.2
115.05470	2.4
117.07066	2.3
119.08588	2.5
121.06517	18.1
125.06035	1.5
128.06226	2.7
129.07022	2.2
131.04933	2.8
131.08598	1.9
133.02831	1.7
133.06464	1.4
134.03682	2.5
135.04456	4.7
135.08073	1.3
137.06026	2.6
141.07062	1.6
143.08585	1.5
145.06523	3.5
145.10072	1.4
147.04456	5.3
147.08072	4.9
148.05177	1.6
149.02348	5.5
149.05995	6.8
151.03909	76.4
151.07529	3.1
152.04668	2.7
152.06064	1.3
155.08464	1.5
157.06531	2.4
158.07350	1.8
158.65109	1.4
159.04512	1.5
160.05203	3.4
161.02338	9.8
161.05980	8.6
162.03111	1.5
163.03925	5.1
164.04729	2.6
165.05385	1.6
165.07008	1.6
167.03491	1.3
167.07114	1.9
171.04411	1.9
171.08073	1.9
173.06007	3.3
175.03926	3.5
175.07518	3.8
176.04674	7.0
177.05473	70.1
178.06097	2.2
179.07054	3.5
179.08548	1.3
182.07196	1.3
184.05252	4.0
185.05965	8.9
186.03300	1.2
187.03961	10.8
187.07544	2.4
188.04692	2.1
189.05511	5.7
189.09056	3.0
190.06258	1.7
191.07024	8.8
192.07870	5.1
193.04996	5.9
198.06815	3.5
199.03970	1.5
199.07553	2.7
201.05453	8.1
201.09145	2.4
203.03809	2.6
203.07043	87.3
205.04968	44.8
205.06874	1.9
206.05774	1.5
207.06551	4.7
211.07632	3.8
212.04701	1.8
213.09053	3.8
214.06256	1.7
215.07182	1.9
217.04993	3.3
225.09181	3.0
227.07025	15.2
228.07825	2.3
229.04979	1.9
229.08688	4.0
239.07108	3.6
241.08640	2.6
242.05846	2.6
243.06563	1.5
243.10199	23.1
250.06427	1.6
253.04980	2.1
254.05859	1.5
254.13651	1.5
257.04568	1.9
257.08197	5.3
260.08334	1.4
261.09091	1.5
263.07092	3.2
264.07794	3.2
265.08582	1.9
266.05563	2.9
267.06589	2.2
267.10275	1.5
269.04858	1.2
269.08157	3.3
277.05093	1.8
277.08554	2.4
278.05771	2.4
278.09149	1.4
279.06531	3.4
281.08212	2.7
282.05298	2.5
283.06042	2.9
285.07669	4.7
288.07935	2.7
289.08545	1.7
290.05804	3.7
291.06537	6.3
291.09869	1.3
292.07245	7.2
293.08054	6.1
295.06052	5.3
295.09464	1.3
296.07126	1.4
297.03992	2.9
297.07477	1.5
298.04822	4.1
301.08600	1.6
302.05734	1.4
303.06607	5.4
303.10129	2.5
304.07321	2.8
305.04773	2.0
305.08109	7.2
306.08878	2.1
307.06091	3.2
307.09677	4.5
308.07019	2.1
309.04526	1.3
309.07391	6.6
311.05511	5.3
312.06436	1.2
313.07147	2.9
314.09271	2.0
315.10013	1.5
316.07355	3.0
317.08133	6.0
318.05362	2.8
318.08823	2.5
319.06168	16.9
319.09845	3.2
320.03442	1.3
320.06723	7.6
321.07587	8.5
321.11142	2.1
323.05490	3.3
323.09274	3.5
325.03455	4.6
325.07138	3.4
326.04282	2.6
326.07999	4.8
329.08173	2.5
330.08862	1.7
331.06052	2.5
331.09753	5.1
332.06879	3.3
333.07614	21.3
333.11221	2.9
334.08313	12.3
335.05466	10.0
335.09238	17.8
336.06247	2.1
337.07059	10.2
338.07904	2.7
339.05130	2.9
340.05933	5.1
341.06570	60.0
342.07471	1.7
343.09619	2.8
344.06647	2.2
345.07626	3.6
345.11389	1.9
346.04535	2.2
346.08371	1.9
347.05493	8.4
347.09290	12.1
347.12802	1.3
348.06226	7.3
349.07104	12.2
349.10858	8.3
349.66614	1.4
350.07925	12.0
351.08713	8.3
351.12491	1.8
352.09491	3.3
353.10431	7.5
355.08087	12.2
357.07352	1.5
358.08423	2.2
359.09393	1.2
359.11807	1.2
361.07040	11.3
361.10876	6.9
362.07867	10.6
362.11664	3.2
363.08636	95.7
364.05707	1.9
364.09421	10.9
365.06595	11.2
365.09995	2.6
367.11807	2.9
369.10229	2.2
371.09344	1.7
373.10767	7.8
374.11536	1.7
375.08719	4.8
377.06000	2.3
377.10175	18.6
377.14056	2.3
378.07217	1.7
378.11026	41.1
379.08057	3.6
379.12036	8.6
380.08994	6.8
381.09698	19.3
381.13510	1.1
383.11533	3.3
387.12848	1.6
388.13190	1.6
390.11084	2.9
391.11978	3.6
393.13568	14.8
395.11249	63.5
401.10168	1.6
403.12155	1.3
405.13361	13.3
407.07596	12.0
409.09280	4.0
410.13458	1.3
411.14651	7.3
417.13278	1.7
421.09286	3.3
423.14346	4.6
439.10437	4.8
449.09891	2.3
481.14850	2.9
493.13004	3.4
504.12192	2.0
507.14471	1.8
519.14526	2.9
521.12415	3.8
523.13599	2.1
533.12384	5.7
534.13318	2.7
535.14069	2.5
536.14484	1.6
537.14716	3.9
541.18628	1.6
547.13855	3.8
548.14978	2.0
549.11700	2.5
551.16827	4.1
552.13928	3.0
553.14673	14.7
555.16669	1.9
564.14325	1.4
565.14941	26.1
566.15656	12.5
567.16431	14.4
569.18188	15.6
579.16492	12.0
582.15033	2.3
583.16028	61.1
584.16772	3.1
585.17542	11.8
597.17596	100.0
598.17938	2.8
615.18573	71.3
615.33948	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.2
69.37204	1.8
72.12589	0.2
72.35586	0.3
79.05489	0.3
81.03442	0.3
81.07036	0.3
85.02888	0.4
88.53175	0.2
89.03925	1.3
91.05507	0.5
93.07011	0.3
93.19157	0.2
95.01350	0.3
95.08579	0.3
97.06524	0.3
103.05461	0.4
105.07010	0.4
107.08578	0.5
109.10183	0.2
117.02741	0.2
117.03404	2.7
121.06508	0.5
123.00774	1.1
127.03886	0.2
127.05419	0.3
131.08669	0.2
134.03633	1.7
135.04329	0.3
137.05962	0.5
144.05705	0.7
145.02869	2.0
145.06444	0.5
146.16939	0.2
147.00752	0.2
148.05231	0.3
149.05991	0.3
150.73509	0.3
151.07576	0.4
155.04933	4.9
155.06071	0.5
171.04443	0.8
172.05167	0.9
173.08035	0.2
175.03986	0.3
177.05493	0.7
183.04422	4.0
184.05179	0.4
185.05980	0.4
187.07596	1.4
197.05984	0.5
200.04706	2.0
211.03912	3.9
212.04568	0.6
213.05510	0.6
215.07071	0.3
225.05424	1.4
227.07025	0.7
228.04178	1.7
228.07855	0.4
239.01254	0.4
239.03447	3.6
240.04100	0.4
241.05035	1.2
243.06691	0.4
255.02910	0.9
255.06480	1.2
256.03705	7.3
256.07312	3.7
259.09665	0.4
269.04520	2.1
270.05426	0.4
271.06036	56.3
272.06494	1.1
284.06818	27.9
285.07379	0.3
286.04770	0.4
287.09116	0.6
299.05569	33.4
299.09177	100.0
300.06119	1.1
300.09576	1.2
301.07178	2.4
316.09427	0.5
317.10016	0.4
367.27689	0.4
511.31784	0.3
529.33655	0.4
571.34662	2.4
615.15143	2.2
615.33575	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	614.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69097	3.6
53.03943	7.6
55.01870	4.6
55.05513	23.9
55.97080	3.7
57.03424	13.8
57.07071	7.9
59.04991	3.7
65.03934	7.3
67.05508	59.9
69.07054	32.4
69.58670	12.4
69.59083	9.8
79.05505	32.4
81.02975	6.3
81.03423	81.1
81.07055	76.7
81.78352	3.9
83.04982	8.4
83.08620	33.9
85.06546	3.8
85.10164	4.9
89.06023	21.1
91.05482	48.1
93.07039	35.5
95.04970	26.9
95.08611	51.7
97.06521	9.1
97.10161	13.0
98.21471	7.0
105.07029	47.0
107.04948	8.1
107.08595	28.3
107.87498	3.3
109.06509	10.2
109.10154	27.7
111.08097	6.7
115.05510	5.5
117.07061	6.2
119.08585	35.1
121.06497	10.5
121.10145	23.8
123.04420	4.1
123.08074	8.5
123.11715	11.1
125.09584	5.4
129.06998	12.6
130.98578	3.7
131.08572	13.5
133.08562	10.1
133.10144	19.2
135.11716	10.2
137.09531	4.1
143.08545	10.6
145.10094	15.3
147.04311	4.0
147.08041	7.7
147.11713	20.3
149.09540	3.5
149.13290	5.0
151.07527	6.0
151.11165	3.8
155.08559	6.2
157.10144	15.4
159.11667	8.3
161.06021	7.1
161.13303	5.3
173.13295	4.3
175.11180	8.6
177.05511	4.0
177.11295	6.3
179.07059	13.5
181.10083	4.4
183.11723	6.4
187.03961	6.0
191.06987	10.6
192.07857	4.1
193.12201	22.8
195.11749	4.1
197.09550	4.1
203.07033	42.7
204.07367	10.9
213.09241	4.3
229.08534	6.8
233.09505	4.1
241.08670	4.4
243.10173	6.0
249.14998	4.6
253.08592	5.5
267.15939	100.0
275.15866	3.5
293.17273	8.0
305.17575	4.7
309.11230	7.3
330.38629	4.1
337.27338	82.0
337.31146	6.7
347.09113	5.8
351.12219	6.3
352.24103	8.2
365.13290	5.0
366.13965	5.0
379.11703	12.9
384.22870	4.9
393.13513	8.9
394.14175	23.9
411.14404	56.6
437.34000	4.8
455.35156	5.4
529.31732	5.7
529.38947	71.3
547.40161	21.9
578.17108	4.0
596.37897	15.2
614.30072	9.9
614.39587	13.2
614.48120	4.6
615.32764	10.8
633.23199	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	613.483
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.77713	0.9
52.22947	0.9
53.03939	2.4
55.01886	1.2
55.05515	15.9
57.03429	4.3
57.07070	2.1
65.03934	1.8
67.05507	50.0
69.07072	18.5
70.75441	2.8
71.04972	2.8
71.08624	1.5
79.05495	30.1
81.07060	55.6
83.08615	10.7
85.06535	1.2
91.05485	23.6
93.07047	36.2
95.04987	1.6
95.08611	44.7
97.06532	3.6
97.10164	4.0
99.08093	1.7
105.04512	1.3
105.07035	27.5
107.08608	23.6
109.10154	23.1
111.08130	2.0
111.11681	1.5
117.07021	9.7
119.08591	26.1
121.10143	17.6
123.08086	1.3
123.11710	11.6
125.09657	1.2
129.07025	3.1
130.07796	1.6
131.08575	19.1
133.10144	20.6
135.08098	1.0
135.11708	13.9
137.09637	1.5
137.11882	0.9
137.13249	4.1
141.07042	1.3
143.08563	6.8
145.10121	17.0
147.11691	16.9
149.13261	7.1
151.11255	1.2
151.14787	2.6
155.08560	2.4
157.10161	5.3
159.11696	16.9
161.13260	12.4
161.48718	1.0
163.14810	4.6
169.10132	1.3
171.11734	7.0
173.13286	13.3
175.14856	7.2
177.16403	3.0
181.10060	1.2
183.11751	1.6
185.13350	5.3
187.14845	6.1
189.16415	2.8
197.13327	2.4
199.14841	4.2
201.16452	4.1
203.18030	1.4
205.15863	1.2
205.19617	1.5
211.14827	2.4
213.16496	2.3
215.18048	2.5
229.19551	2.3
231.21082	2.2
241.19554	3.6
241.57021	1.0
243.21173	2.6
249.22083	1.3
259.20648	9.1
261.22144	13.9
263.23816	1.6
271.20615	1.6
287.23602	1.2
309.24448	1.1
313.25415	2.6
315.23328	2.1
317.24545	2.1
327.27060	1.2
333.24219	6.2
335.25818	18.4
337.27408	10.8
339.26703	1.0
451.35846	1.2
489.35834	2.0
521.43695	7.9
524.18866	1.1
529.39203	1.5
539.44531	3.4
543.40344	2.4
595.47278	12.3
613.48279	100.0
614.48907	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	613.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.6
53.03934	2.3
55.05523	8.6
55.44033	1.7
56.99617	1.9
57.07071	3.7
59.61984	1.7
61.81446	2.1
67.05511	20.0
69.03429	3.7
69.06730	1.8
69.07074	28.5
73.06557	4.5
74.61790	1.6
79.05499	15.0
79.46414	1.7
79.63884	1.5
81.03406	3.5
81.07060	33.1
83.08593	5.2
91.04963	2.3
91.05486	29.5
93.07040	28.1
95.04965	3.4
95.08606	23.4
103.05420	2.4
105.07040	42.5
107.04944	5.7
107.08605	25.6
109.06510	7.0
109.10165	17.4
111.08100	2.0
115.05468	4.4
117.07036	13.0
117.81889	2.3
119.08586	32.7
121.06485	5.7
121.10152	14.5
123.11709	8.6
128.06219	3.9
129.06989	7.4
130.07768	2.0
131.04941	3.0
131.08580	20.0
133.02893	2.6
133.10130	13.9
135.04424	2.8
135.08037	2.9
135.11676	11.0
137.05995	4.2
137.13290	3.0
139.07510	2.1
141.06978	4.8
142.07716	2.0
143.08589	10.2
145.06470	6.3
145.10141	25.1
147.04381	4.4
147.08044	8.2
147.11687	23.0
149.02373	6.5
149.05978	4.5
149.09663	3.0
149.13211	2.5
151.03926	3.4
151.07452	3.6
153.06874	2.3
154.07831	1.8
155.08560	4.9
156.09337	2.6
157.06395	2.7
157.10147	7.0
159.08093	2.7
159.11711	14.2
160.05165	2.8
161.02341	7.2
161.05954	10.5
161.13246	6.3
163.03888	3.7
163.07567	2.6
163.14874	2.5
165.05411	2.8
165.06953	2.9
167.03400	6.9
167.08606	3.0
169.06561	3.8
169.10112	3.2
171.04411	2.2
171.08020	4.5
171.11696	3.8
172.87419	2.2
173.05937	5.3
173.09595	4.1
173.13254	5.2
175.03877	3.6
175.07547	5.6
175.11253	2.6
175.14806	3.2
177.05457	5.9
179.07004	8.2
179.08521	3.8
181.10085	2.5
183.08075	4.0
183.11710	3.4
185.05977	7.8
185.09557	2.7
185.13237	3.1
187.03940	5.9
187.07474	3.4
187.14795	7.4
188.50487	1.8
189.05505	6.7
189.09111	5.4
189.16417	2.1
190.06308	2.1
191.07036	10.2
191.08623	3.2
192.07788	6.1
193.10159	3.0
195.08049	4.0
195.11595	2.8
197.09590	5.4
197.13185	3.7
199.07559	3.8
199.11125	3.5
199.14795	9.7
200.04643	2.1
201.05525	2.7
201.09119	9.1
201.16391	30.4
203.07034	100.0
203.08429	3.8
203.17981	7.9
205.04900	3.6
205.08455	2.9
207.06497	2.5
209.09608	3.2
209.13280	2.6
211.07545	9.3
211.11150	2.8
213.05521	2.3
213.09059	5.6
215.06935	2.9
215.10721	4.5
217.08499	4.6
219.08144	2.7
219.11794	2.2
221.07918	3.5
223.14777	2.6
225.09132	6.0
227.07021	5.4
227.10698	3.1
229.08585	13.1
229.67952	2.4
235.07617	2.7
237.09090	3.8
237.16406	3.2
239.07063	3.2
239.10561	3.9
241.08624	8.1
243.10156	35.0
250.09761	2.7
251.06874	4.5
251.10692	4.8
253.08592	5.4
253.12251	2.7
257.08224	2.4
261.16437	2.4
263.10623	3.7
265.08633	2.3
265.12158	4.9
269.08142	3.7
271.19867	1.7
279.13876	3.2
289.15717	3.9
291.15860	2.2
293.18784	2.3
299.08969	3.3
307.16858	5.5
311.20007	2.7
319.20584	5.9
321.18451	8.1
333.11105	2.6
335.12634	2.5
336.57831	2.0
339.19562	4.8
347.09134	2.8
347.20010	10.5
351.12402	2.9
351.23248	4.3
353.21112	2.8
359.20239	2.5
361.21747	5.2
363.12131	3.7
365.13809	5.0
375.19714	3.8
377.13885	2.6
377.21140	4.1
379.22769	15.4
381.13330	2.4
387.19495	4.3
393.13098	3.6
405.20572	19.1
411.14410	4.9
425.15906	8.3
493.27225	1.9
521.26746	4.8
531.25305	3.5
549.26288	12.9
553.29114	5.1
563.27942	38.5
581.29034	66.4
582.29193	2.4
585.31427	2.9
595.30334	3.7
613.31458	34.1
613.48260	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	613.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59140	0.4
53.03908	0.4
55.01855	0.6
56.96535	0.4
57.03395	0.5
65.03906	0.7
67.05458	1.4
69.03407	0.8
69.07050	0.7
71.04948	0.6
71.58184	0.5
79.05479	0.9
81.03384	0.8
81.07020	0.8
83.08599	0.4
85.02863	1.2
86.06951	0.4
89.03918	2.0
91.05435	0.7
92.02617	0.8
93.07013	0.8
95.01296	1.1
95.04947	1.0
95.08565	1.3
97.02856	0.8
98.97521	0.5
105.03376	0.8
105.07005	1.1
107.04916	0.6
107.08563	0.8
108.02077	0.6
109.02808	0.9
109.10094	1.4
115.05410	0.7
117.03401	2.4
117.04079	0.6
117.07010	0.5
118.04131	0.5
119.04920	0.8
119.08550	0.8
121.02848	0.7
121.06480	1.8
121.10093	0.6
123.00806	3.6
123.04405	0.6
124.01518	1.1
125.02290	1.0
125.09605	0.5
127.03890	0.5
127.05369	0.7
128.06226	2.4
129.06941	0.4
131.08566	0.6
133.01968	0.5
133.02859	8.6
133.06471	0.5
133.09967	0.5
134.03650	2.1
135.04375	1.4
136.06142	1.2
137.02338	6.4
137.05931	1.2
139.03908	1.0
144.05681	0.8
145.02872	3.0
145.06490	0.9
145.10010	0.4
147.04378	0.6
148.05199	40.5
149.02303	0.6
149.05949	0.8
151.00229	1.5
151.03894	1.3
152.01064	6.3
153.01836	15.9
153.05409	0.6
155.04933	6.3
155.06068	0.9
156.05658	1.3
159.04378	0.5
161.05972	0.7
162.03128	0.7
163.03906	1.0
164.04732	0.5
164.70795	0.5
165.05429	0.5
166.02635	2.4
167.03401	7.3
167.06963	1.3
169.01343	0.6
170.02127	3.0
171.04376	1.1
172.05157	0.9
173.05896	0.7
175.03894	2.4
177.05443	1.4
181.05009	0.6
183.04396	4.5
184.03621	1.8
184.05194	2.5
187.07509	1.4
191.07037	0.8
195.04346	0.5
197.05978	0.8
199.03824	0.6
200.04686	2.2
201.05434	1.4
211.03940	3.6
212.04721	4.2
213.05406	1.6
213.14722	0.7
214.15323	0.5
217.04842	0.7
225.05507	2.1
226.06221	0.5
227.06931	0.9
228.04134	2.1
229.04941	1.7
230.05704	0.6
239.03383	6.0
240.04199	7.0
241.05023	1.3
242.05785	0.5
243.06538	2.2
253.04939	1.3
255.02809	0.9
255.06451	1.9
256.03674	7.2
256.07291	0.8
257.04434	3.0
257.07278	0.5
259.09601	1.8
267.02878	4.2
267.06140	0.7
268.03693	3.9
269.04449	1.9
270.05222	1.2
271.06030	47.3
272.06726	2.2
279.06592	0.6
281.04510	0.9
282.05176	2.2
283.05936	1.7
284.03354	0.5
284.06689	0.5
285.03940	3.0
285.07599	2.3
286.04684	0.5
287.05539	0.5
287.09164	0.8
296.06738	0.6
297.04080	0.7
297.07593	3.0
298.04907	2.2
298.07919	0.6
299.05499	16.0
299.08954	0.8
300.06296	45.0
301.06943	2.2
313.07178	2.6
314.04730	0.7
314.07852	19.7
315.08627	70.2
316.08835	1.0
329.06680	1.1
387.08704	0.5
392.05347	0.8
407.07535	0.6
419.03870	0.8
433.05627	1.3
447.10962	0.5
501.21985	0.4
527.31793	0.9
551.31476	0.4
567.09412	2.5
569.32935	1.9
579.09180	0.9
595.12390	3.8
613.13422	100.0
613.31824	4.3
614.13745	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	613.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01872	0.4
56.96547	0.3
60.57057	0.2
67.05505	0.4
71.04980	0.2
71.57593	0.2
78.08424	0.2
79.05488	0.4
81.03445	0.3
81.07071	0.8
85.02924	0.3
91.05484	0.8
93.07050	0.5
94.06530	0.3
95.04934	0.3
95.08652	0.5
96.08163	0.3
99.04446	0.2
105.07046	0.4
107.05002	0.2
107.08601	0.3
109.02853	0.4
109.10194	0.3
110.09649	0.2
117.03422	0.2
119.08578	0.3
121.06519	0.8
121.10130	0.4
123.04459	0.3
123.08221	0.2
129.06934	0.2
131.08609	0.3
133.02792	0.2
133.06493	0.3
133.10130	0.3
135.04454	1.6
136.07588	0.3
138.09155	0.3
143.08427	0.2
145.06471	0.2
146.06139	0.2
147.04405	0.3
148.05173	0.3
149.02434	0.2
149.06061	0.3
151.03925	0.9
152.01094	0.3
153.01923	0.3
161.05956	0.3
163.03987	0.3
166.08630	0.4
167.03410	0.3
177.05432	0.3
190.05032	0.4
191.03262	0.2
191.72330	0.2
201.05525	0.2
203.07053	0.5
207.66563	0.3
221.06070	0.3
223.07596	0.3
227.11981	0.2
237.05414	0.3
241.05051	0.2
243.86069	0.2
249.05565	1.0
253.05165	0.4
255.06509	0.3
257.04367	0.2
263.06985	0.2
265.05270	0.3
269.04578	0.6
269.12909	0.4
270.13147	0.5
271.05978	0.4
275.06955	0.4
276.07996	0.3
277.04996	0.8
283.06339	0.3
285.07574	0.6
289.05115	0.8
290.05777	0.5
292.07434	0.8
293.08176	0.3
296.06757	0.3
297.04004	0.3
297.07361	0.3
297.12341	0.3
299.05606	0.6
301.07199	0.3
305.04404	0.4
308.06827	1.0
309.07651	0.4
311.05627	0.7
313.07053	0.4
315.08627	0.3
319.06085	0.8
320.06851	7.3
321.07565	1.2
324.06479	0.4
324.10583	0.3
325.07031	0.3
325.11823	0.4
326.12195	0.4
327.12781	0.5
331.05917	1.5
332.06940	0.7
333.04071	0.3
333.07751	0.6
334.04828	1.7
335.05499	4.1
335.09140	0.3
336.06467	0.5
345.07730	0.4
346.04672	0.4
346.08444	0.6
347.05609	0.4
348.06317	8.7
349.07275	0.7
359.05505	3.5
359.09598	0.3
361.07074	0.6
362.04224	2.2
363.04947	2.5
363.08691	0.3
373.07111	0.3
374.07962	1.6
375.05011	0.6
376.06024	0.6
377.06573	5.1
378.07611	0.5
389.06699	1.0
390.03488	0.5
390.07843	0.4
391.04297	2.5
391.07663	0.3
399.08673	0.3
399.15512	0.5
400.16013	0.6
401.16602	0.4
402.07315	3.3
404.05231	0.4
405.06088	6.5
406.06866	18.7
407.07693	0.6
413.17389	0.3
417.06384	0.7
417.16513	0.3
419.08151	1.1
421.09293	4.7
422.06934	0.9
425.10306	0.6
429.06210	0.8
432.04791	2.2
433.05582	25.2
434.06192	0.7
435.07526	0.8
447.07178	13.7
448.07849	0.3
448.17657	0.5
449.08987	0.4
451.06622	4.2
453.09708	0.8
454.10800	0.4
458.17188	0.3
459.17398	0.5
460.17694	1.3
464.09012	0.4
465.08820	1.1
478.11255	0.3
481.09216	1.2
482.10025	0.5
492.08380	0.7
493.09183	0.8
494.06750	0.4
495.11346	0.3
497.12646	0.3
509.08853	1.0
510.09909	0.4
520.08459	0.2
521.08588	2.0
522.09967	0.3
525.11884	0.7
527.09949	0.4
535.09985	0.3
537.08759	1.2
538.09424	0.5
551.09845	0.5
552.10632	1.6
553.11005	0.5
555.09564	0.8
565.08698	0.4
566.08728	1.7
567.13196	1.1
568.09912	0.3
569.10907	1.3
571.24585	0.6
580.10107	0.8
581.10913	2.1
583.08813	0.4
585.14063	4.0
595.12250	1.3
595.24225	0.5
598.10846	0.8
613.13434	100.0
614.13702	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1343
Annotation	Pentagrametin
Peak:m/z	Relative Intensity
63.79478	0.4
67.64614	0.4
70.29584	0.3
107.01324	0.4
108.02106	0.5
115.05449	0.5
123.00814	0.8
133.02827	0.4
134.03619	1.8
137.02351	7.5
138.03136	0.6
141.07004	0.9
145.02844	0.4
147.04440	0.4
148.05252	0.8
149.02342	8.0
151.00214	0.4
151.03918	0.7
152.01082	1.2
153.01826	7.1
155.04924	1.9
156.05719	0.4
164.04701	17.2
166.02675	2.4
167.03418	7.8
167.04735	0.5
168.05652	0.7
169.06516	0.6
170.02124	0.6
170.03606	0.7
172.05267	0.4
174.03125	0.6
183.04449	1.0
184.03702	0.9
184.05289	0.9
185.06030	0.9
186.06723	0.4
187.03943	1.2
187.07568	0.4
192.04234	1.1
196.05302	0.5
197.06015	1.9
199.03944	0.7
200.04718	1.1
201.05627	0.5
202.06287	1.3
211.03961	1.1
212.04745	1.0
213.05479	4.4
214.06226	2.5
215.03592	0.9
215.07028	0.7
217.05031	0.6
225.05472	5.4
226.02614	1.8
227.03543	0.7
227.07085	0.5
228.04228	4.9
229.08629	0.9
230.05756	1.9
239.03386	3.1
240.04156	2.1
241.04979	2.8
242.05783	1.0
243.02983	0.8
243.04187	0.4
243.06544	4.7
245.04546	1.3
252.04260	0.4
253.04970	5.9
254.02165	2.6
255.03065	1.4
255.06567	1.3
256.03629	4.3
256.07355	1.4
257.04471	1.0
258.05402	1.6
267.02887	5.5
267.05692	0.4
268.03717	3.6
269.04468	11.2
270.05240	13.9
271.03000	0.9
271.06012	9.4
271.08777	0.7
272.06696	0.6
273.07690	0.9
280.03760	0.9
282.01929	0.9
282.05322	1.3
283.02496	2.6
283.06055	1.8
284.03186	15.4
284.06735	1.4
285.07581	44.4
286.04739	2.0
287.05646	0.9
287.12698	0.4
295.06003	1.9
297.04153	0.9
298.04742	5.8
299.01996	1.9
299.05490	19.9
300.06265	12.0
300.09763	0.5
301.07071	4.6
312.06302	0.5
313.07062	9.4
314.04279	6.9
314.07922	4.8
314.11359	0.6
315.05167	1.3
315.08621	19.8
329.06592	10.8
330.07349	21.3
403.93604	0.4
418.07111	0.5
432.08826	0.5
447.10776	0.6
518.92688	0.5
598.11395	0.5
613.13428	100.0
614.13715	2.2
615.03436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16895	4.1
51.51922	4.0
53.03952	9.1
55.05520	27.5
57.03445	24.8
60.85172	4.1
67.05506	81.6
69.07055	19.7
69.61525	30.2
71.08587	5.2
79.05500	49.6
81.03419	81.6
81.07056	76.4
83.04984	7.0
83.08629	21.4
91.05494	51.8
91.80574	4.4
93.07045	61.8
95.04969	23.2
95.08603	44.5
96.08929	6.0
97.06507	7.3
97.10227	4.7
98.20682	7.9
98.21364	13.2
105.07027	36.2
107.04946	6.7
107.08609	29.7
107.59498	3.8
109.06467	5.1
109.10188	21.0
111.04478	4.8
116.83867	3.9
117.06981	12.5
119.08601	34.3
120.08920	4.6
121.10141	34.7
123.11697	5.2
129.06976	12.3
131.08563	27.5
132.08850	5.7
133.10135	22.0
135.11696	18.6
143.08545	8.3
145.10114	18.0
147.11676	16.1
149.13243	9.7
157.10056	9.7
159.11676	11.5
161.13248	6.6
171.11591	5.5
173.13263	9.6
175.11221	9.5
175.14793	5.3
183.11615	4.7
185.13260	6.8
187.14720	4.3
193.12224	20.4
199.15030	4.7
243.21049	5.5
246.06444	3.9
259.20587	4.9
261.22141	15.8
267.15909	100.0
301.25287	7.2
335.25821	85.3
492.23615	4.9
527.37421	54.5
534.24567	8.9
545.38251	24.1
594.26904	16.7
594.45966	5.0
612.28052	55.1
612.46960	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	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22863	1.2
51.02390	1.7
53.03941	3.0
55.01868	2.9
55.05513	21.9
57.03435	5.9
57.07064	4.0
65.03942	3.3
66.65031	1.0
67.05507	54.6
69.07068	20.1
69.24374	6.0
69.24791	4.3
71.04997	3.8
71.08628	1.2
79.05495	43.3
81.07061	53.6
83.08618	9.1
85.06547	3.3
91.04893	1.3
91.05067	0.8
91.05479	41.8
93.07050	47.4
95.04962	5.1
95.08611	47.8
97.06539	2.4
97.10172	4.1
98.21117	5.9
99.08126	2.4
103.05482	2.1
105.07037	41.2
107.08599	28.1
109.06531	2.2
109.10158	17.5
111.08086	2.2
115.05467	1.4
117.07026	17.1
119.08587	31.4
121.10144	23.4
123.08083	1.5
123.11738	5.9
125.09665	1.6
128.06232	2.3
129.07030	12.2
130.07845	1.4
131.08568	30.0
133.10143	28.4
135.08086	1.5
135.11697	15.4
137.13255	2.0
141.07005	2.4
142.07831	2.2
142.66792	1.1
143.08559	15.5
144.80759	1.2
145.10133	27.9
147.11687	21.5
147.12778	1.7
149.02379	1.3
149.13284	8.2
149.28181	1.1
151.14761	1.9
155.08585	7.2
156.09332	1.2
157.10130	14.8
158.10844	1.3
159.11719	18.0
160.12514	1.1
161.13266	16.1
163.11275	1.9
163.14873	4.3
167.08510	2.0
169.10153	7.7
171.11713	13.6
173.13278	17.2
175.14821	6.3
177.12691	1.1
177.16379	1.3
181.10170	3.3
183.11696	7.4
185.13286	11.3
187.14810	6.7
189.16458	2.7
195.11668	2.7
197.13243	5.7
199.14807	8.4
201.16441	4.5
203.07135	1.7
209.13318	2.8
211.14854	4.5
213.16469	5.4
215.18040	3.1
217.19649	1.7
219.17401	1.7
223.14902	2.2
225.16423	3.0
227.18036	3.0
229.19569	2.2
231.21234	1.3
237.16516	1.8
239.18028	1.4
241.19569	8.8
243.21219	2.9
249.16475	1.9
250.24216	1.1
257.18951	5.7
259.20590	18.8
261.22217	4.8
275.20135	1.3
285.22275	1.5
331.22980	1.5
333.24292	11.3
335.25833	18.2
337.27628	1.5
339.26669	1.5
353.28336	2.0
367.30301	1.5
407.11353	1.4
435.32565	1.2
468.15662	1.1
515.38129	1.3
519.42383	8.4
527.37732	1.3
537.43085	3.5
541.39380	1.8
593.26349	2.9
593.45697	8.0
611.28284	5.9
611.46741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01865	1.6
55.05512	20.8
57.03434	5.8
57.07071	3.9
65.03940	3.4
65.55033	1.4
67.05506	49.1
69.07069	21.0
71.05003	3.1
71.56298	2.5
77.03925	1.7
79.05496	39.9
81.07058	53.1
83.02048	1.5
83.04990	2.9
83.08630	9.2
85.06555	1.7
85.33507	1.3
91.05470	33.3
93.07046	47.1
95.04988	3.2
95.08611	38.5
97.06533	2.9
97.10175	4.4
97.81668	1.3
103.05494	2.0
105.07027	37.9
107.08593	25.2
109.06539	3.3
109.10157	16.9
111.08087	2.6
115.05460	2.5
117.07024	18.7
119.08584	31.4
121.10152	20.6
123.08054	2.0
123.11729	7.1
128.06233	3.4
129.07013	12.3
130.07756	1.6
131.08563	27.8
133.10129	29.1
135.11710	13.8
137.13237	2.7
141.06993	2.5
142.07834	2.3
143.08571	13.0
145.10123	24.1
147.11690	16.7
149.13277	8.6
151.07529	2.3
155.08569	5.8
156.09387	2.0
157.10138	14.6
159.11690	20.2
161.13274	8.8
163.14767	2.4
167.08548	2.7
169.10121	7.4
171.11719	12.9
173.13281	12.4
175.14793	7.0
175.35451	1.3
181.10156	3.0
183.11690	6.4
185.13246	10.2
187.14864	5.3
189.16396	2.3
195.11685	2.2
197.13263	4.7
199.14877	8.0
201.16422	1.8
203.17982	2.3
209.13345	1.4
211.14848	4.1
213.16434	5.5
215.17986	3.8
223.14789	3.1
225.16457	2.3
227.18172	1.7
229.19530	2.5
230.87485	1.6
239.18098	2.5
241.19571	6.1
243.21036	1.5
253.19800	2.0
257.19073	4.0
259.20511	17.7
261.22220	2.1
275.20145	2.4
315.23187	2.1
333.24176	9.7
335.25766	20.7
337.27753	2.4
343.26431	1.9
356.07056	1.9
365.28076	1.7
397.31296	1.7
404.88467	1.4
407.22794	1.7
471.25424	1.7
501.35413	1.9
519.41925	8.6
537.43030	2.5
541.38873	2.3
593.45514	9.1
611.30444	3.6
611.46729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86859	1.0
53.03933	3.1
53.82236	0.9
55.01865	2.5
55.05512	18.1
57.03440	6.0
57.07063	3.6
65.03945	2.6
67.05510	48.9
67.05874	2.4
69.07072	18.2
69.76450	1.7
69.76864	5.2
71.04987	3.1
71.08633	1.8
79.05498	32.7
81.07063	42.3
83.05006	1.2
83.08608	7.0
85.06541	1.6
91.05486	33.6
93.07052	34.6
95.04991	2.9
95.08613	35.6
95.09231	1.8
97.06506	2.8
97.10178	4.4
98.21130	3.4
105.04538	1.4
105.07037	29.4
107.07946	2.0
107.08604	19.8
109.06532	1.1
109.10172	15.1
111.08109	1.7
115.05489	2.2
117.07012	14.0
119.07782	2.2
119.08587	26.9
120.25043	1.1
121.10153	16.1
123.11693	6.0
125.09691	2.6
128.06229	2.2
129.07013	9.2
130.07813	1.4
131.08577	24.5
133.10129	19.8
135.11703	12.7
137.13242	1.9
141.07001	3.2
142.07748	1.7
143.08562	13.9
144.09296	1.3
145.10127	23.5
146.10526	1.6
147.11684	19.0
149.09583	1.3
149.13275	7.0
154.11859	1.3
155.08568	4.9
156.09392	1.5
157.10129	14.9
159.11707	19.1
161.13261	13.8
163.11122	2.2
163.14882	2.3
167.08557	1.9
169.10172	7.7
171.11702	12.2
173.13274	12.0
175.14825	5.4
181.10117	2.5
183.11708	7.7
185.13252	11.0
187.14818	6.6
189.16469	1.9
195.11732	2.6
197.13277	6.1
199.14842	7.3
201.16426	2.4
209.13379	2.6
211.14810	3.9
213.16396	4.6
215.17993	2.9
217.19524	1.5
219.76430	1.0
221.13199	2.0
223.14989	2.1
225.16389	3.5
225.96503	1.2
227.18051	2.5
229.19583	1.3
231.21201	2.1
237.16408	2.2
239.17896	1.7
241.19566	8.7
243.21169	2.0
251.07112	1.6
257.18994	3.6
259.20590	16.8
261.22229	4.6
269.08102	1.1
301.21689	1.2
315.23459	1.4
325.25592	1.4
331.22632	1.6
333.24265	10.3
335.25842	15.5
337.27502	1.7
353.28540	2.4
501.35501	1.6
519.41779	8.3
537.43201	3.3
541.39020	2.1
593.45740	8.4
611.46661	100.0
612.47162	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.5
53.03942	5.7
55.01880	1.7
55.05511	24.3
57.03439	9.1
57.07059	5.1
65.03924	2.3
66.47955	1.4
67.05507	74.3
69.03396	2.1
69.07071	22.0
71.04981	3.0
71.08620	1.8
79.05495	59.3
81.06579	3.6
81.07059	73.9
83.04988	2.3
83.08610	12.2
85.06535	2.5
91.04891	2.2
91.05478	48.8
93.07043	68.4
95.04959	7.6
95.08608	55.8
97.06515	5.3
97.10178	4.7
98.20699	3.6
103.05499	1.8
105.04488	2.7
105.07032	44.8
107.08598	39.6
109.06522	4.6
109.10150	23.4
111.08120	2.7
111.11661	1.6
113.09660	1.5
115.05463	2.3
117.07009	17.2
119.08589	33.9
121.10148	34.8
123.11702	7.1
125.09709	1.8
128.06236	3.3
129.07018	9.0
131.08560	24.3
133.10135	26.8
133.42046	1.6
135.11694	22.5
137.09538	1.9
142.07782	2.3
143.08557	12.1
145.10129	29.3
147.11696	19.9
149.13257	11.7
151.11209	1.9
155.08604	3.7
157.10094	8.7
159.11703	18.6
161.13208	12.9
163.14842	4.2
169.10153	6.1
171.11691	7.2
173.13260	13.0
175.14902	7.0
177.12753	1.8
183.11725	5.1
185.13269	7.1
187.14886	7.8
189.16408	2.9
197.13303	4.6
199.14886	4.5
201.16403	3.5
203.17923	3.6
211.14824	3.6
213.16431	3.1
239.18144	2.1
241.19568	5.7
255.70828	1.7
257.19131	2.4
259.20554	15.8
261.22235	6.4
277.21619	10.1
299.23746	2.5
325.25287	2.2
333.24094	10.4
335.25797	11.9
484.48996	1.8
519.42059	3.6
593.45557	6.7
611.46741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81419	9.8
55.05510	22.7
56.17687	8.9
57.03434	11.1
57.07094	10.1
57.97082	10.3
59.26583	11.1
67.05499	42.5
67.85591	9.8
69.03451	16.7
69.07065	45.3
69.28540	88.7
79.05500	15.3
81.03427	20.3
81.07069	89.8
82.80897	11.1
83.08632	21.8
85.02911	39.8
85.06561	24.9
90.17815	10.5
91.05461	21.8
93.07053	42.3
95.08626	100.0
97.02921	17.9
97.06536	17.9
97.10165	10.8
105.01864	14.9
105.07060	24.5
107.08588	49.6
109.02883	18.6
109.10174	32.1
111.08087	21.3
121.10164	37.0
123.11709	32.5
127.03931	25.5
131.07001	12.9
133.98019	8.7
135.11642	11.9
137.13249	24.4
142.32570	10.2
149.13239	36.4
153.61897	10.0
163.14854	12.3
167.14362	14.7
168.13560	9.8
177.05522	16.0
177.16458	10.2
182.81604	9.1
291.26907	33.6
303.04895	25.6
309.28003	69.6
325.18771	11.1
327.29141	26.3
332.42007	11.2
386.85138	11.5
611.11731	40.4
611.63489	11.3
639.64240	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	611.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97326	11.6
52.62487	12.6
55.01872	16.4
55.05520	16.6
61.27699	11.3
67.05508	40.0
69.03436	31.7
69.07068	35.0
69.26665	100.0
71.04996	13.8
73.12891	11.0
79.05518	15.0
81.03434	36.7
81.07064	79.4
85.02908	78.0
85.06551	46.1
87.00827	39.3
93.07038	42.2
95.08604	86.7
97.02906	63.7
97.10155	13.4
99.04424	15.0
99.08083	34.5
105.01877	32.9
105.07021	26.5
107.08587	40.6
109.02892	18.4
109.10165	44.7
109.16014	12.1
121.10124	34.7
123.11714	18.2
127.03931	51.3
133.10144	14.9
135.11681	25.3
137.13254	16.7
145.04955	18.5
149.13261	47.6
161.13231	16.8
163.14841	17.0
167.07059	33.6
177.16325	13.2
213.03862	15.1
231.05214	13.0
235.31772	11.9
291.26730	65.0
303.05042	86.3
309.27832	29.9
357.83762	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	611.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	14.0
57.03420	8.3
57.07066	13.1
64.74483	6.7
67.05495	28.7
69.03418	24.1
69.07073	43.2
69.43758	28.9
69.44174	30.6
71.04961	9.1
79.05483	17.9
81.03423	16.6
81.07053	100.0
83.08607	8.6
85.02463	8.6
85.02918	64.5
85.06545	45.5
87.00806	21.7
90.65135	8.4
91.05461	8.0
93.07042	33.0
93.88997	7.0
95.08607	84.4
97.02872	22.8
97.10164	8.3
99.04461	8.8
99.08086	29.6
105.01859	15.7
107.08586	38.5
108.56210	7.6
109.02879	14.6
109.10143	38.9
111.08064	13.3
111.11707	14.2
112.82432	6.4
121.10123	38.5
123.11709	23.3
127.03919	35.8
128.97209	7.0
132.01700	7.2
135.11667	18.4
137.13255	16.5
139.11208	8.6
145.04959	12.1
149.13240	28.3
161.87032	8.5
163.14824	14.7
177.16438	26.4
195.17439	33.0
213.18513	91.3
231.05142	8.9
235.20410	8.1
272.06360	8.5
273.25836	10.7
276.36649	6.9
279.26776	9.0
291.26822	17.5
297.27945	10.4
309.27829	40.0
327.28949	45.7
380.75687	7.3
624.63495	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	611.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
54.45525	4.9
55.05511	16.5
57.03414	5.1
57.07067	10.6
61.02898	4.3
64.18552	4.4
67.05507	21.4
69.03439	21.8
69.07074	39.0
69.90589	22.2
71.04996	9.6
79.05495	22.7
81.03422	18.3
81.07060	100.0
83.08617	17.9
85.02901	33.5
85.06553	31.7
87.00846	16.8
91.05482	10.8
93.07059	33.3
95.08607	88.6
97.02901	22.5
97.10204	9.8
99.08097	29.0
105.01883	14.5
105.07050	11.5
107.08610	40.8
109.10151	48.7
111.08059	9.7
111.11718	10.3
119.08656	8.3
121.10155	32.1
123.11728	27.2
127.03916	54.9
127.11142	6.2
133.10117	9.4
135.11714	20.5
137.13254	15.3
145.05023	11.6
147.11624	5.7
149.13289	32.0
153.12842	7.1
163.14844	11.5
177.16423	22.0
191.07025	14.2
191.17906	6.9
195.17474	20.8
213.18504	81.8
227.09053	5.1
235.20753	7.0
247.03996	5.6
273.25809	8.2
285.60202	5.4
287.05328	6.2
291.26813	28.8
297.27924	14.9
303.04874	11.4
309.27936	53.3
327.28870	24.4
361.61270	5.7
611.23932	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	611.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.8
57.03452	0.6
64.76958	0.4
66.44913	0.4
69.03414	0.7
69.07069	0.9
69.33714	3.0
69.34121	0.8
73.02930	0.6
73.10576	0.4
79.05515	0.4
81.03406	0.5
81.07056	0.7
85.02915	1.6
91.05492	0.7
93.07066	0.5
95.08630	0.7
97.02896	0.6
105.07037	1.1
107.08603	0.6
109.06564	0.7
121.06502	0.5
123.11703	0.4
133.10132	0.5
137.05986	0.8
143.93202	0.5
147.04445	0.5
149.02377	3.8
149.06107	0.4
155.03149	0.5
165.05515	1.9
171.08034	0.7
183.08054	0.4
203.05421	1.3
229.08676	0.5
255.06516	7.1
261.07501	1.2
275.07599	0.9
275.11069	1.9
283.06027	2.2
284.06918	1.9
285.07565	3.9
299.12659	1.4
303.04926	2.1
310.18756	0.5
315.08853	0.8
317.08475	1.4
317.13696	1.0
335.09509	7.5
381.13446	0.9
389.14258	4.6
407.15341	5.3
409.12888	0.7
423.12689	0.7
431.11267	1.1
449.12283	3.4
479.18829	3.6
555.17065	0.8
611.23248	100.0
612.23328	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.6
63.48755	0.5
67.05488	0.7
69.03413	1.4
71.56456	0.6
73.02907	1.0
79.05485	0.8
81.07045	1.3
85.02908	1.6
86.68958	0.5
91.05472	1.0
93.07089	0.7
93.07780	0.5
95.04976	0.9
95.08608	0.7
97.65285	0.5
105.07101	0.8
122.17406	0.5
127.03964	0.9
137.05992	1.5
145.05034	0.5
147.04408	0.9
149.02342	4.5
151.64523	0.5
152.01062	0.7
165.05545	1.3
167.07161	0.6
171.08102	1.0
172.26259	0.5
177.05579	0.7
203.05408	0.7
229.08664	0.6
239.07184	0.6
245.08086	0.6
255.06541	8.0
261.07428	0.8
275.07541	0.8
275.11163	1.7
279.23926	0.6
283.06033	3.0
284.06992	2.8
285.07645	4.8
299.05737	0.5
299.12622	1.2
303.05035	2.3
317.08517	1.3
317.13681	0.9
335.09537	8.7
381.13498	1.0
389.14130	3.9
407.15427	5.1
409.13022	1.1
410.14008	0.6
423.12817	1.4
431.11316	2.1
449.12265	4.6
479.19003	3.3
528.31152	0.5
555.17047	0.8
567.31262	1.2
611.23242	100.0
612.23651	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.1
50.82722	0.7
51.02386	1.2
53.03954	7.8
55.01873	0.9
55.05510	0.9
56.64971	0.8
59.05020	0.9
59.46566	0.7
61.82238	0.8
61.91690	0.8
65.03931	0.8
67.05492	2.7
69.07069	4.0
69.90894	3.9
75.04481	0.8
77.03899	1.2
78.17725	0.8
78.65660	0.8
79.05492	1.8
81.03407	1.2
81.07063	4.0
83.08585	0.9
90.01471	0.8
91.05470	4.2
93.07050	2.6
95.04977	11.1
95.08607	2.1
105.03400	100.0
105.04408	5.3
105.07034	2.0
107.08575	0.9
109.06513	0.9
109.10158	2.2
119.08564	2.2
121.06499	3.1
121.10137	1.3
125.09604	0.9
128.06206	0.8
129.03366	0.8
131.08562	0.9
137.05981	1.1
145.10149	1.9
149.05923	1.0
151.03917	21.3
151.07510	2.3
157.10089	1.2
163.03954	1.1
167.03456	0.9
177.05457	7.4
179.07031	3.3
179.08524	0.9
193.04916	1.4
198.43240	0.8
199.14786	1.2
201.16379	1.7
203.03456	1.3
203.07053	2.9
205.04993	8.2
213.01787	3.2
220.05234	2.2
222.06894	1.1
231.02849	1.3
235.07564	3.3
237.05464	14.6
241.01311	2.9
248.75830	0.9
250.06245	1.7
251.06996	2.6
253.05017	1.7
253.08562	1.1
263.07111	8.0
265.04944	9.8
265.08502	2.3
267.10129	0.9
269.08249	1.1
275.07019	1.1
276.04147	1.6
277.04962	2.3
279.06369	1.2
281.08038	1.1
283.06076	2.3
289.05127	1.1
291.06546	11.2
293.04404	4.4
293.08072	5.5
301.04837	1.2
303.04880	6.0
304.03622	2.0
307.05844	1.3
309.07605	2.4
313.10675	3.7
317.04572	1.1
319.06030	9.0
320.03107	1.0
321.07605	7.9
328.09271	1.0
335.05563	11.0
335.09296	2.0
337.07059	1.3
345.03857	2.8
347.05524	79.7
348.05975	1.0
353.06348	1.3
357.09570	1.2
361.07071	2.0
363.04999	11.4
365.06665	8.5
365.13843	14.4
369.11423	1.1
381.05954	1.3
383.07620	1.2
389.10382	1.4
403.12137	1.3
407.09116	1.6
415.11719	2.4
423.08517	3.6
423.13940	1.3
425.10049	3.7
441.09317	2.9
443.18747	1.0
445.19931	2.5
451.08142	9.7
469.09140	15.1
471.18076	35.2
487.10117	8.9
487.17514	5.6
488.18277	4.6
489.19141	6.9
549.22711	2.0
575.20544	3.2
593.21606	8.2
604.36823	0.9
611.13928	1.5
611.22443	5.8
611.30524	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Multinoside A
Peak:m/z	Relative Intensity
53.03950	0.9
53.22895	0.7
57.03432	2.1
58.75488	0.7
61.02935	4.2
68.99802	0.8
69.03436	5.8
69.48472	5.0
70.06626	1.0
71.04978	2.4
73.02916	1.6
81.03436	4.2
85.02428	1.2
85.02915	17.4
91.03940	2.2
91.05468	0.8
97.02309	1.0
97.02892	6.3
99.04427	1.2
107.04950	1.1
109.02851	3.8
121.02852	2.5
127.03889	3.1
129.05432	0.7
135.04407	3.5
137.02371	7.9
142.08672	0.7
142.38428	0.7
145.04913	2.0
149.02359	2.9
153.01846	3.6
156.31467	0.8
161.02318	3.7
163.03914	3.2
165.01845	12.3
167.03384	2.9
177.01868	1.7
179.03400	1.3
181.04904	1.1
183.02969	2.7
187.03865	1.6
191.03380	1.7
195.02919	2.2
229.04976	3.3
233.04370	0.8
245.04611	2.1
255.06558	1.4
257.04462	2.1
259.11877	2.2
264.11667	0.9
271.06036	1.4
272.06830	0.8
283.06018	8.3
285.03558	1.0
286.04697	3.1
287.05505	38.9
295.05981	1.8
297.07639	5.9
299.05524	78.7
300.06268	11.4
302.12564	1.1
303.05011	98.5
307.05804	1.2
311.05557	13.1
311.09012	1.6
313.03610	1.3
313.07013	3.6
321.07635	2.0
323.05548	2.6
324.06180	1.7
325.03522	1.6
325.07031	22.8
327.05032	1.0
329.06583	100.0
337.07123	3.6
339.04825	0.9
339.08716	14.6
341.06689	2.4
349.07040	3.3
353.06592	40.6
365.06583	10.0
367.08063	2.3
377.06610	8.5
383.03088	1.6
383.07657	22.8
395.02704	1.4
395.07642	19.2
413.08731	19.5
431.09784	31.4
449.10834	45.1
473.11057	1.5
611.26428	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	611.1606
Annotation	Rutine
Peak:m/z	Relative Intensity
54.33565	0.3
57.03446	2.0
57.15518	0.3
61.02916	1.3
67.39187	0.3
68.99792	0.5
69.03429	0.6
70.60334	1.0
71.01350	0.3
71.05000	10.1
75.04481	0.6
81.03428	0.5
85.02908	14.5
91.03951	0.7
97.02881	0.9
109.02845	0.5
111.00798	0.5
111.04440	0.5
111.64057	0.3
121.02853	1.1
127.03929	0.7
129.05472	2.6
135.32077	0.4
137.02354	2.8
145.04912	0.4
147.06544	0.9
149.02383	0.5
153.01802	3.6
160.49689	0.3
161.06004	0.4
163.03928	0.4
165.01857	1.8
165.03029	0.4
173.05989	0.5
201.05457	1.5
229.05000	3.5
236.14685	0.3
257.04517	2.7
285.03964	0.8
303.05008	100.0
304.05157	1.7
313.51938	0.4
465.10214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
57.03436	4.1
59.51045	1.8
61.02908	2.1
70.88394	4.1
73.02913	2.9
85.02892	8.1
97.02861	3.2
98.21385	2.4
102.34421	1.7
102.68471	2.1
103.03957	2.1
107.04953	2.8
109.02911	4.1
121.02921	2.8
135.04419	6.8
137.02365	33.2
159.04340	2.2
161.02336	5.1
163.03914	2.8
176.00987	2.4
177.01863	4.2
179.03430	3.7
187.03883	2.3
189.01823	12.2
191.03383	5.9
195.02824	5.9
199.03867	2.5
201.05521	3.0
203.03453	12.4
205.04875	2.6
207.02858	8.9
213.05406	2.5
217.04912	7.3
219.02904	7.2
221.04341	2.1
229.04953	3.0
233.04265	2.4
243.02917	2.2
257.04453	2.5
279.06348	3.0
283.05930	3.7
284.06836	6.0
285.03809	2.5
287.05588	2.5
295.05942	7.8
297.07538	3.8
299.05283	9.5
303.05066	14.4
309.07639	4.6
310.04724	18.8
311.05521	71.7
311.08853	3.6
312.06204	5.8
313.07016	8.8
323.05566	44.4
324.06400	16.9
325.07065	15.4
329.06525	4.5
333.07562	2.9
335.05472	7.8
335.09067	2.3
336.06210	4.3
337.07095	29.9
338.07864	11.0
339.04871	4.8
339.08682	6.3
341.06580	100.0
349.07056	8.9
351.08481	17.2
352.05933	2.6
353.06592	60.3
354.07526	2.9
355.08231	2.9
363.08578	14.3
365.06516	30.0
367.08215	23.9
371.07556	17.7
373.06805	3.6
377.06482	16.7
379.08047	5.7
381.09848	11.5
383.07535	4.3
389.06384	7.8
391.08087	10.7
395.02734	4.3
395.07614	52.8
401.06631	4.4
403.08041	3.9
405.10187	2.6
407.07608	31.1
417.09821	3.0
419.07593	24.7
425.08649	40.9
431.07986	4.1
433.09253	4.5
437.08670	20.4
443.09760	34.9
449.09027	2.3
455.09760	29.5
461.09888	4.0
473.10861	76.2
479.09616	4.5
491.11832	13.5
497.10898	24.5
503.09915	2.6
509.10489	4.9
515.12036	15.0
521.10687	6.6
527.11761	19.2
539.11835	23.7
545.12634	5.4
557.13025	26.5
575.14172	19.4
593.15112	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	611.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27076	0.3
56.52431	0.3
57.03442	2.3
61.02927	2.0
67.41972	0.2
68.99777	0.5
69.03419	0.4
69.42255	2.2
69.97508	0.2
71.04997	10.3
73.02912	0.8
74.39429	0.3
75.04506	0.6
81.03397	0.3
83.04977	0.5
85.02911	14.1
85.12401	0.3
91.03946	1.3
93.03402	0.5
97.02900	1.2
109.02866	0.7
111.00806	0.9
111.04430	0.4
121.02856	0.9
127.03952	0.4
129.05484	3.1
137.02353	3.2
147.06517	1.1
149.02330	0.3
153.01836	3.3
165.01851	2.0
166.02618	0.4
173.06018	0.3
177.74596	0.3
183.02856	0.7
187.03877	0.4
201.05470	1.4
229.04977	3.8
247.06111	0.8
257.04437	3.0
274.04755	0.5
285.03937	1.1
287.05591	0.5
303.05002	100.0
304.05264	1.1
313.17529	0.4
449.10489	0.4
564.24768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53746	0.6
54.23647	0.6
69.79829	0.6
69.80444	2.8
100.21873	0.7
102.84942	0.6
105.63970	0.5
108.02060	0.8
123.00746	1.1
124.66241	0.6
125.02321	0.7
129.07031	1.1
133.02739	0.8
135.04381	0.6
137.00531	0.5
137.02400	3.0
139.05472	0.8
141.07019	1.8
146.03603	1.0
148.05255	0.8
149.02345	9.0
151.03909	1.9
151.07570	0.6
152.01042	2.4
153.01848	6.3
155.04950	2.5
156.64322	0.6
164.04695	19.4
166.02663	2.3
167.03429	7.0
167.04741	0.9
168.05794	0.7
169.06517	1.9
174.17769	0.6
181.06516	0.8
183.04414	4.5
184.05232	0.6
185.06036	0.9
192.04195	1.4
196.05136	0.8
197.06029	3.5
199.03853	1.0
202.06268	1.4
209.00804	0.8
211.03946	2.2
212.04712	1.2
213.05399	1.5
215.03416	1.0
224.04620	0.9
225.05489	14.0
226.02597	1.4
227.07051	1.6
228.04135	5.0
230.05775	1.2
239.03430	4.6
239.11826	0.6
240.04198	1.9
241.05069	1.3
242.05782	1.1
243.02866	0.7
243.06601	5.0
245.04445	1.0
253.04979	12.4
254.02086	2.8
254.05789	1.8
255.02921	1.6
255.06584	1.9
256.03738	2.4
257.04489	1.7
257.08365	0.6
258.05298	1.4
265.04846	0.7
267.02957	6.1
267.06027	1.0
268.03671	2.7
269.04459	13.9
270.05377	2.4
271.02786	0.9
271.05988	8.7
273.07651	1.1
281.04382	0.7
282.01807	1.2
282.05289	2.3
283.02557	2.6
283.06021	40.6
284.03159	14.8
284.06390	1.0
285.03806	1.0
285.07657	2.3
286.04843	1.7
295.06265	1.0
297.04041	4.7
297.07285	0.8
298.04752	5.7
299.01974	1.5
299.05481	18.4
300.06302	13.8
301.07117	4.3
303.05096	1.9
303.08801	0.8
311.09161	1.5
313.07132	11.4
313.10739	4.3
314.04245	6.6
314.07895	6.4
315.05209	1.2
315.08612	23.1
329.06543	13.4
330.07321	23.4
357.09625	1.0
367.15759	0.8
368.15720	0.6
369.13986	1.8
395.14832	2.3
396.15366	1.3
401.07199	0.6
413.12729	1.1
430.06781	0.9
445.09079	1.0
553.64264	0.7
611.11859	100.0
612.12347	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	610.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
55.05506	13.1
57.07091	7.9
61.37732	5.1
67.05495	8.4
69.07083	13.1
70.03670	18.5
70.04073	13.0
73.04726	5.9
79.05491	15.6
81.03416	8.9
81.07069	37.5
83.08624	7.7
85.02900	34.3
87.00844	6.8
91.05473	12.8
93.07045	11.4
95.08625	27.2
97.02908	11.0
105.07043	13.6
107.08615	19.1
109.02888	7.2
109.10172	23.9
119.08614	12.4
121.10132	15.0
123.11679	8.1
133.10132	7.5
135.11671	11.3
137.05968	7.3
137.13306	5.9
145.05072	6.2
147.11662	7.0
149.13335	9.5
239.03250	15.4
239.65341	6.7
269.04416	8.3
271.06219	7.0
273.25897	10.8
284.03333	8.1
287.17139	6.0
291.26837	13.4
299.05460	17.1
303.05029	9.9
309.27957	17.0
313.07202	11.3
320.66476	5.7
362.40698	6.3
524.74286	6.4
611.11932	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	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41790	1.7
53.03938	8.2
55.01865	4.3
55.05518	29.4
55.06377	1.8
55.31223	1.9
57.03438	10.9
57.07071	3.8
57.08610	1.9
59.87033	1.7
65.03950	5.8
66.91917	2.0
67.05510	81.6
68.03413	1.8
69.07070	29.2
69.42048	14.5
71.05004	4.0
79.05501	78.0
81.03428	2.2
81.07065	77.3
83.05007	3.6
83.08636	13.9
85.06538	5.7
91.05488	75.6
93.07056	68.0
95.04986	8.4
95.08041	3.7
95.08617	57.6
97.06540	9.0
97.10178	5.0
103.05474	3.0
105.03367	2.2
105.04552	3.5
105.07040	65.8
107.04938	5.2
107.08607	40.0
109.06550	9.8
109.10179	28.8
111.08074	3.4
115.05450	5.8
115.32227	2.0
117.07027	40.2
119.08589	50.8
121.06538	4.2
121.10159	31.2
123.08123	4.4
123.11721	6.2
125.09631	4.1
128.06224	6.4
129.07021	18.6
130.07774	4.5
131.08586	46.4
133.10150	33.6
135.08052	3.7
135.11685	21.0
137.09636	5.2
141.07014	8.7
142.07826	4.7
142.97711	1.9
143.08580	21.8
144.09364	2.9
145.10135	69.8
147.08160	2.6
147.11688	26.3
149.09656	7.3
149.13295	8.6
151.03958	3.9
151.11240	3.6
154.07834	1.8
155.08585	12.0
156.09367	3.0
157.10138	26.5
159.11716	52.1
161.09663	5.4
161.13237	12.9
162.09914	1.7
163.11166	4.7
167.08598	5.0
169.10115	16.0
171.11726	17.7
173.09654	2.2
173.13287	19.0
175.11107	2.8
175.14867	4.6
179.08679	2.5
181.10144	4.2
183.11702	11.8
185.13243	13.6
187.14925	4.4
189.05634	2.1
189.16377	3.0
195.11769	6.2
197.13316	13.4
199.14885	5.6
201.16444	6.6
203.07054	4.3
209.13290	3.3
211.14864	6.2
213.16452	4.9
219.17470	11.1
223.14789	2.7
227.17963	2.0
229.19577	6.7
235.66237	1.9
237.16451	4.2
239.17928	17.1
251.07065	5.8
253.08759	2.5
255.17549	4.0
257.19016	44.2
259.20499	3.7
261.22198	6.3
265.08600	2.1
267.10223	6.6
275.20126	29.2
277.19183	2.0
313.21747	2.9
323.16714	2.8
331.22733	18.6
335.25833	31.4
349.23947	2.5
389.18143	2.1
517.40515	7.6
549.24255	6.8
591.44043	8.1
609.27020	11.1
609.36871	4.5
609.45203	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	609.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34050	7.1
55.05502	10.6
67.05498	15.9
69.03437	9.8
69.07082	16.3
70.70439	13.3
71.04988	9.3
79.05482	11.3
81.07055	45.2
83.08631	7.7
85.02930	25.4
85.06552	12.4
91.05459	14.6
93.07050	14.8
95.08620	40.3
97.02910	12.4
99.08084	11.2
105.07047	17.8
107.08602	16.6
109.10166	20.1
113.88193	7.2
119.08595	16.6
121.10185	14.4
123.11741	12.6
127.03929	16.1
131.08533	8.1
133.10172	14.8
135.11726	12.0
137.02437	7.3
145.02858	15.5
147.11665	10.3
159.11710	10.3
177.05502	40.2
177.16406	9.2
213.18399	9.1
270.05289	22.5
271.05994	19.6
277.25330	7.7
285.07593	100.0
287.05515	22.5
289.25064	7.3
301.07205	7.2
307.26328	16.8
398.67099	7.3
423.41473	7.5
513.84064	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	609.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24512	2.4
51.41652	2.7
55.05535	3.5
59.27680	3.0
63.35627	2.7
67.05518	6.9
69.03419	4.4
69.07051	5.8
69.20665	2.7
70.06587	3.0
70.60153	2.5
71.49434	4.5
79.05473	4.2
79.34045	2.7
81.03406	5.0
81.07062	17.4
83.04977	4.4
83.08589	3.7
85.02892	11.1
85.06552	6.0
87.00803	3.3
91.05448	5.6
93.07035	9.6
95.08593	10.3
97.02904	4.6
103.44036	2.8
105.07024	6.2
107.08564	7.3
109.02834	3.8
109.10146	9.5
111.08086	3.5
117.03342	2.8
119.08592	4.4
121.10124	6.6
123.11676	4.9
127.03896	6.6
133.10132	6.1
135.11740	4.0
137.05931	3.4
137.13246	3.8
145.02817	18.1
147.11649	4.6
149.06000	4.0
151.03902	3.8
159.00359	3.3
167.07097	3.4
172.09882	3.1
175.07614	3.4
177.05472	33.4
179.06891	4.3
185.00821	3.7
207.06490	2.9
265.98117	3.5
271.06015	12.4
285.03854	3.2
285.07318	5.7
286.04614	5.5
287.05463	13.0
289.25302	5.4
301.06964	15.2
305.10165	3.3
307.26141	6.7
310.04813	3.7
315.05002	6.1
315.08591	15.4
322.22894	2.8
328.05737	5.1
331.04504	6.4
346.06754	9.9
361.09186	100.0
361.13669	5.8
465.80966	3.1
609.21851	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89042	0.5
53.03951	0.5
55.05506	0.5
67.01866	0.5
67.05496	1.3
68.99818	0.5
69.03420	1.7
69.07058	2.1
70.06568	0.4
71.04990	0.9
79.05497	1.0
81.03426	2.6
81.07063	5.1
83.04967	1.0
83.08637	0.9
85.02921	3.0
85.06544	0.9
86.10168	0.4
87.00832	1.3
89.03914	2.0
91.05471	1.7
93.07050	2.2
95.04987	0.7
95.08610	3.6
96.64867	0.4
97.02892	1.0
97.06544	0.6
98.21467	1.2
99.04469	0.9
99.08055	0.5
105.01832	0.7
105.07004	1.8
107.04934	0.5
107.08587	2.2
109.02860	1.0
109.06538	0.6
109.10159	1.8
111.08058	0.6
111.11674	0.4
113.80329	0.4
115.01273	0.4
117.03382	5.2
119.04947	1.9
119.08592	1.6
121.02869	1.5
121.06500	0.6
121.10137	1.7
123.11717	1.1
124.07491	0.5
127.03902	2.1
131.08565	0.6
133.10143	1.0
135.11702	1.3
137.06013	0.5
137.13226	0.5
145.02852	13.8
145.04919	0.6
145.10117	1.1
147.04414	0.5
147.11630	0.8
149.05971	1.7
149.13249	0.6
153.01846	5.6
157.10101	0.6
163.03899	1.0
163.11153	0.4
171.02899	1.0
173.09619	0.6
177.05481	31.4
182.00716	0.4
186.05495	0.6
197.11626	0.4
203.07027	0.5
225.05402	0.9
231.04929	0.5
243.06558	0.6
271.06027	100.0
272.06326	2.0
285.07593	0.5
287.05582	0.8
289.25241	1.1
300.06589	0.6
305.29224	0.4
307.10791	0.5
307.26315	2.3
313.06998	2.8
315.08646	1.0
321.09729	2.2
325.27377	1.4
339.10818	0.9
447.17783	0.6
609.28119	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	609.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01868	1.0
55.05508	3.0
67.05508	8.4
69.07066	5.0
69.37799	5.8
71.08625	0.7
79.05498	7.5
81.07066	8.9
83.08599	1.4
91.05474	9.5
93.07048	7.4
95.08604	6.4
97.06535	0.9
105.07038	6.9
107.04900	1.2
107.08597	6.2
109.06532	1.9
109.10168	3.8
117.07022	2.1
119.08579	6.5
121.10147	2.7
129.07011	2.2
131.08594	3.3
133.10117	3.2
135.11694	2.2
143.08569	2.6
145.10100	4.1
147.11703	2.8
157.10147	1.8
159.11719	2.3
161.13354	1.0
169.10173	1.4
171.11629	1.3
173.13297	1.4
183.11723	1.1
185.13283	0.9
193.21037	0.7
195.11594	1.0
197.13184	1.9
201.16251	0.9
257.08005	1.6
257.19003	3.0
267.10138	2.7
275.20123	5.7
279.56433	0.8
300.49423	0.7
304.20850	0.8
310.16681	0.7
323.16360	0.8
350.23059	0.8
378.18726	0.9
391.19153	2.0
392.19955	1.1
393.20633	1.1
404.16299	0.9
405.17105	2.5
405.21350	1.8
407.22620	3.6
418.17972	1.6
419.18402	2.3
421.19952	1.1
431.18488	1.0
433.15558	1.7
433.21021	4.0
434.21033	3.4
435.21802	6.9
438.54648	0.8
446.98343	1.0
447.17990	3.1
448.18845	0.9
449.19528	1.6
461.18982	1.8
462.20486	4.6
463.21191	4.3
469.22958	1.1
475.21490	1.8
489.22641	1.1
493.25198	0.9
521.25806	6.1
549.24969	17.5
550.24615	1.1
563.78412	0.8
591.25470	1.2
609.26422	47.8
609.33984	100.0
609.44983	11.5
610.26349	1.4
610.34357	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	609.2713
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01881	0.4
55.05510	1.1
57.07077	0.4
67.05505	2.6
69.07065	1.4
70.02354	0.5
70.02687	1.7
74.02819	0.4
79.05504	2.6
81.07081	2.6
83.08636	0.5
91.05499	2.6
93.07050	2.0
95.04941	0.5
95.08607	2.1
97.06600	0.4
105.07050	2.6
107.05013	0.4
107.08576	1.8
109.10165	1.0
115.05483	0.4
117.07016	0.9
119.08577	2.0
121.10160	1.1
129.07022	0.6
131.08569	1.4
133.10165	1.3
135.08037	0.7
135.11661	0.6
143.08600	0.8
145.10168	1.6
147.11719	1.1
149.13272	0.4
150.74625	0.5
157.10109	0.9
159.11775	1.1
161.13260	0.7
169.10139	0.9
171.11777	0.6
173.13277	0.8
185.13330	0.5
196.94125	0.4
201.16391	0.4
223.42668	0.4
251.07083	0.6
257.19135	0.4
267.10220	0.5
275.20142	1.3
308.73038	0.4
313.10553	0.5
318.90799	0.4
323.16553	0.4
373.14417	0.6
377.17514	0.5
389.17587	1.4
390.18860	0.5
391.19141	1.4
401.17740	0.6
402.18851	0.6
403.19470	1.9
404.20209	1.1
405.21179	2.4
406.21680	0.6
407.22363	1.2
415.19440	0.8
416.20276	0.7
417.16812	1.2
417.21820	1.8
418.17401	0.6
418.22223	0.5
419.17480	0.6
419.22775	3.1
420.23218	1.2
421.23459	0.4
430.18106	1.4
431.17856	2.2
431.23407	0.8
432.18973	0.7
432.23831	0.8
433.20224	6.7
434.20966	0.8
435.22159	0.4
443.18744	1.4
444.19409	1.6
445.19785	3.8
446.21161	3.6
447.21970	3.8
448.22711	1.2
449.23642	0.5
458.21024	5.3
459.21976	4.6
460.22800	3.3
461.19720	0.8
462.20023	0.5
463.20972	2.8
472.22580	0.4
473.23495	1.1
475.21313	1.7
476.22241	0.9
477.22964	1.1
478.23709	0.6
487.24652	0.6
489.19064	0.9
490.23898	0.7
491.20294	0.6
503.20618	0.5
503.24475	0.5
505.22116	0.6
517.22449	1.0
518.23303	2.5
519.23981	9.7
520.24719	0.7
521.22205	2.0
531.23932	1.6
532.24762	1.2
535.24042	0.4
549.24951	4.6
563.26483	0.9
591.26056	11.4
609.27075	100.0
609.44690	3.6
610.27881	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	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.83493	0.6
57.02338	0.8
59.33764	0.6
63.83670	0.6
67.05511	0.6
69.19833	6.9
79.05502	1.2
91.05484	0.9
93.07072	0.9
95.08582	0.9
105.07034	0.8
117.07005	0.7
131.08574	0.7
134.09673	0.6
145.10132	0.9
159.11790	1.2
203.69302	0.6
206.43256	0.7
223.12378	1.1
276.14810	0.8
375.16623	1.0
377.17737	1.4
378.19565	0.8
389.18112	1.2
390.18549	1.6
391.19308	2.8
392.20200	2.0
398.17215	0.6
400.16998	0.7
401.17676	0.8
404.20319	1.7
405.21280	3.7
406.21725	2.0
407.22476	4.4
415.19403	2.7
416.20941	0.9
417.20969	1.3
418.17651	0.9
419.22845	1.2
421.23901	5.1
429.21042	3.2
430.22037	1.5
431.18475	1.2
432.19397	1.3
433.20132	2.1
433.24915	1.2
434.24832	0.8
442.21844	0.9
443.22525	1.3
444.23334	1.3
445.20355	1.3
446.21185	1.0
447.18347	2.3
448.18182	1.1
449.23901	0.8
452.22430	1.4
457.24741	3.2
458.25214	1.1
459.21680	2.5
460.22595	2.2
461.19101	5.9
462.20688	1.9
463.21451	1.8
470.20895	0.7
471.17764	1.1
472.22913	1.5
474.20563	1.0
475.21030	9.6
476.21887	7.2
477.22559	5.7
479.24075	0.8
485.23569	10.1
486.20068	3.4
487.25879	1.4
488.21686	1.1
489.23099	7.0
490.21304	0.7
494.26416	0.9
499.20996	3.1
499.78244	0.8
500.22211	1.7
503.24521	7.4
504.24835	1.2
513.22864	1.5
515.24524	9.2
517.21869	1.1
518.23511	1.0
521.26184	4.0
531.23969	19.4
535.23706	0.9
549.24957	3.3
550.25842	4.3
559.23322	8.0
559.30841	1.0
563.25684	0.7
568.48633	0.7
577.24524	1.2
591.16443	1.3
591.26068	33.7
609.27106	100.0
609.44568	2.3
610.27203	2.7
622.48834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03947	0.4
55.01870	0.3
55.05515	1.0
67.05505	2.3
68.45323	0.4
68.85201	0.3
69.07073	1.2
79.05502	2.7
81.07053	2.3
83.08617	0.4
85.06513	0.3
91.05474	2.6
93.07063	2.1
95.08620	1.9
97.10166	0.5
105.07029	2.5
107.08622	1.4
109.10158	0.9
117.07047	1.1
119.08583	1.7
121.10182	0.8
123.11790	0.4
129.07059	0.9
131.08569	1.5
133.10194	1.1
135.08086	0.3
135.11696	0.8
143.08603	0.5
144.08131	0.4
145.10155	2.1
147.11697	1.1
151.03894	0.4
155.08586	0.5
157.10161	0.7
159.11778	1.2
161.13208	0.4
169.10098	0.5
171.11743	0.8
172.84645	0.4
173.13327	0.6
177.05515	0.4
197.13319	0.6
207.06511	0.4
209.10814	0.3
219.17458	0.4
237.13892	0.4
239.18054	0.6
249.36208	0.4
251.06956	0.8
251.15324	0.4
257.19089	0.9
275.20187	1.0
335.25925	0.6
389.17880	0.7
391.19211	0.7
403.19592	0.5
404.20355	0.7
405.21176	0.8
413.17801	0.4
414.18362	0.6
415.19269	1.4
416.20227	0.5
417.21243	0.5
418.21994	0.5
419.18085	0.6
419.22879	0.7
429.21188	3.1
430.21707	1.2
431.18448	1.2
431.23312	0.6
432.19577	0.5
433.24994	1.8
434.20737	0.4
435.21948	0.9
443.22540	1.0
444.23297	1.9
445.19571	0.4
445.24689	0.7
447.21899	1.5
449.23459	1.1
457.19913	1.0
458.24890	1.0
459.21603	4.6
460.22855	2.6
461.19357	2.2
461.23776	2.5
462.19788	1.8
463.21298	0.8
472.22437	2.3
473.23328	1.1
474.24472	0.7
475.20801	1.0
476.22070	2.5
477.22800	2.3
485.23694	1.6
487.24927	4.4
489.23114	1.9
490.23773	1.0
492.25040	0.6
493.26892	0.7
503.25452	2.3
505.18790	0.6
505.26486	0.4
507.24533	0.4
519.23822	2.1
521.21613	3.3
531.23981	22.5
532.24786	1.3
534.22443	0.7
549.16541	0.6
549.25024	11.8
563.26971	1.0
580.23462	0.6
591.26050	2.8
608.44733	0.4
609.27106	100.0
609.44550	3.4
610.27576	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	609.1815
Annotation	Diosmin 
Peak:m/z	Relative Intensity
52.79047	0.1
57.03448	0.2
57.94305	0.1
60.89713	0.1
69.03434	0.3
69.07095	0.2
69.23326	0.3
69.23728	1.0
71.04998	0.6
79.05494	0.1
81.03401	0.1
81.07073	0.2
83.04992	0.1
84.08167	0.1
85.02911	1.4
91.05473	0.1
93.07068	0.2
95.08619	0.2
97.02876	0.2
97.41061	0.1
98.21506	0.3
99.35777	0.1
106.36423	0.1
109.10152	0.2
115.49738	0.1
121.10198	0.1
127.03933	0.3
128.10637	0.2
129.05489	0.2
133.10074	0.1
142.36824	0.1
153.01840	0.6
189.09091	0.1
216.28146	0.1
219.10208	0.8
229.05043	0.4
257.04602	0.2
258.05255	14.1
259.05725	0.1
273.01230	0.1
286.04730	34.0
287.05133	0.4
301.07071	100.0
302.07370	1.2
413.54172	0.2
463.12231	0.4
477.87054	0.1
538.92267	0.1
609.17474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.05507	0.8
55.19135	0.4
55.35640	0.4
67.05510	1.5
69.07066	0.6
69.31089	2.5
69.31518	0.9
73.10085	0.4
79.05505	1.4
81.07047	2.2
91.05480	2.8
93.07072	1.7
95.08626	1.7
101.56574	0.4
105.07015	2.2
107.08598	1.5
109.10173	1.2
111.08092	0.4
112.33253	0.4
117.06995	0.8
119.08601	1.5
121.10152	1.0
123.11713	0.5
131.08572	1.5
133.10199	0.8
141.07004	0.5
143.08548	0.5
145.10155	1.3
147.11717	0.4
157.10121	0.7
159.11763	1.0
161.13309	0.7
169.10170	0.4
173.13269	0.7
175.14809	0.4
197.13306	0.7
203.03426	0.4
219.17587	0.4
223.12430	0.5
225.14009	0.4
253.08685	0.9
257.08279	0.6
267.10245	1.0
376.17325	0.5
377.17648	0.8
389.18466	0.7
390.18564	1.2
391.19196	1.8
392.19980	1.1
393.20877	0.4
400.16943	0.6
401.17764	0.7
403.19705	1.1
404.20557	0.7
405.21024	2.9
406.21390	2.1
407.22256	2.4
413.18060	0.6
415.19370	1.8
418.17691	0.5
419.17972	0.7
419.22424	1.4
420.23508	0.5
421.24030	3.2
422.24649	0.5
427.19171	0.6
428.19867	0.5
429.20996	1.6
430.22250	0.8
431.22983	0.5
433.20273	1.6
442.21384	0.5
444.23282	1.0
445.20068	0.7
446.21378	0.6
447.17407	2.1
448.18741	0.7
449.23849	0.7
451.21448	0.4
457.23810	1.3
459.21976	1.3
460.22974	1.2
461.19382	5.3
462.20560	1.8
463.21350	1.0
471.18134	0.8
472.22980	0.5
473.19254	0.9
474.20667	1.3
475.21179	6.3
476.21826	5.3
477.22653	3.7
479.24762	0.6
484.18661	0.5
485.23734	5.4
486.20389	2.6
487.25235	1.0
488.21994	0.8
489.22955	5.2
493.22263	0.6
494.26660	0.8
499.21289	4.3
500.22202	0.9
503.24579	6.1
504.21298	0.6
504.25177	0.6
507.23682	1.0
513.22919	1.3
515.24542	4.8
517.22498	1.6
518.22772	0.7
521.26270	2.3
531.24017	8.6
532.24707	0.5
533.25305	0.6
535.23566	1.0
541.22284	0.7
548.23730	0.5
549.25452	2.1
550.25757	3.6
559.23395	5.2
563.26520	1.5
577.24628	1.7
591.25958	13.2
591.45038	0.5
609.27087	100.0
610.26935	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	609.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07360	0.2
57.03421	0.2
58.20111	0.2
67.01870	0.5
67.05510	0.3
68.99796	0.5
69.03436	0.4
69.07079	0.3
71.35740	0.3
76.14847	0.2
79.86097	0.2
80.10261	0.2
81.03429	1.2
81.07059	0.3
85.02904	0.3
89.03934	1.8
91.05461	0.7
93.07047	0.4
95.04984	0.2
95.08601	0.4
97.02888	0.3
103.05473	0.2
105.07046	0.2
107.08611	0.3
108.11806	0.2
109.02867	0.4
117.03389	5.4
119.04954	2.1
121.02871	1.2
127.03897	0.3
134.03668	0.4
135.04433	0.3
145.02856	13.8
147.11638	0.2
149.06006	1.8
153.01845	6.3
163.03935	0.7
171.02873	0.7
176.04764	0.2
177.05481	30.1
178.05779	0.3
186.05605	0.2
195.06499	0.4
200.05705	0.2
203.07002	0.5
203.93056	0.2
225.05490	0.7
229.04948	0.3
271.06024	100.0
272.06314	1.2
283.05911	0.4
284.06836	0.4
295.06082	0.2
304.69064	0.2
313.07104	2.3
321.09763	2.1
325.27173	0.2
339.10742	0.9
609.15936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37639	0.2
53.03952	0.4
55.05503	0.3
56.96583	0.3
57.03446	0.4
57.07076	0.3
57.24327	0.3
61.02961	0.2
63.02082	0.3
63.02374	0.5
67.01840	0.3
67.05498	0.4
68.99798	1.0
69.03423	1.7
69.40860	2.1
70.06567	0.3
71.05001	0.4
78.04692	0.3
79.05487	0.6
81.03423	3.3
81.07051	0.9
85.02900	1.5
86.86752	0.3
87.00816	0.3
89.03922	5.2
91.05480	2.1
93.07036	0.9
95.04990	0.3
95.08611	0.7
97.02885	0.5
98.97565	0.3
99.04469	0.6
103.05489	0.3
105.07022	2.1
106.04217	0.4
107.08585	0.8
109.02879	2.2
109.10156	0.4
111.00858	0.3
116.98651	0.3
117.03384	15.3
117.07008	0.3
119.04941	1.0
119.08609	0.4
121.02878	1.4
121.06487	0.2
121.10103	0.3
123.04446	0.3
124.94643	0.3
127.03906	1.1
131.08571	0.3
133.10133	0.3
134.03618	1.1
135.04410	0.5
137.02472	0.3
137.05952	0.5
141.06964	0.5
145.02850	38.8
146.03252	0.3
147.04369	0.6
147.08076	0.4
147.11711	0.3
149.01157	0.2
149.02347	4.3
149.05981	4.6
153.01830	5.8
159.04420	0.5
159.08029	0.3
163.03958	0.4
163.47372	0.3
169.06470	0.9
177.05475	88.2
178.05780	0.5
186.05502	0.8
187.07576	0.3
195.06526	1.2
197.06004	1.8
215.07042	6.5
215.10542	0.5
225.05467	1.0
229.05013	0.4
243.06572	2.7
253.05017	1.4
257.11655	0.4
271.06018	100.0
272.06378	1.0
281.11673	0.5
301.07220	0.4
307.26196	0.3
313.07236	0.3
321.09692	6.6
339.10849	3.4
609.28845	0.7
609.37634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87429	0.2
53.03951	0.2
53.55257	0.2
55.01859	0.3
55.05500	0.4
57.07077	0.2
67.05499	0.6
68.99754	0.2
69.03421	0.5
69.07063	0.6
70.06593	0.2
71.05008	0.2
71.56825	0.3
71.68829	0.2
77.25300	0.2
78.54763	0.2
79.05488	0.6
81.03412	0.9
81.07056	1.8
83.08612	0.3
85.02901	0.8
85.06525	0.5
89.03936	0.7
91.05488	0.4
93.07059	1.3
93.44727	0.2
95.04953	0.2
95.08595	1.1
95.13746	0.2
97.02904	0.3
103.05476	0.2
105.01874	0.2
105.03387	0.5
105.07026	0.8
107.04964	0.3
107.08575	0.9
109.02917	0.3
109.10187	1.0
115.05416	0.2
117.03393	1.3
117.07008	0.2
119.08556	0.5
121.02896	0.3
121.10165	0.4
123.11729	0.5
127.03922	0.5
129.07065	0.2
129.46111	0.2
131.04996	0.2
131.08578	0.3
133.02838	0.3
133.10115	0.6
134.03647	0.3
135.04387	0.6
135.11700	0.4
137.02342	7.4
137.05951	0.3
137.13213	0.2
141.06999	1.2
145.02849	2.8
147.04353	0.3
147.11690	0.3
149.02347	0.4
149.05957	0.4
149.13255	0.5
151.03813	0.2
155.04872	0.3
159.08052	0.4
159.11742	0.2
161.02336	1.2
161.13277	0.2
163.03915	0.4
163.14899	0.2
167.07050	0.9
169.06506	1.8
169.39394	0.2
173.06035	0.3
173.13248	0.3
175.03961	0.3
175.14847	0.3
177.05466	6.3
178.78879	0.2
181.05052	0.3
181.06494	0.8
183.04451	0.5
187.07545	0.8
189.05469	0.3
189.16328	0.2
191.06973	0.4
197.05991	3.8
200.04665	0.2
201.05466	1.0
213.05461	0.4
214.06200	0.3
215.07037	6.4
222.28574	0.2
225.05461	8.8
226.05847	0.3
243.06448	1.1
253.04980	4.9
270.05252	1.8
271.06021	100.0
272.06345	1.5
285.07581	7.6
285.12424	0.3
287.05417	0.9
287.23712	0.2
289.25153	0.3
301.07104	0.7
305.10211	0.3
305.24588	0.3
307.26367	0.3
315.08652	0.5
315.13177	0.2
321.09735	0.4
361.09174	0.9
379.28458	0.2
570.78387	0.2
577.20392	0.9
609.23090	0.7
613.84515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36100	1.2
69.07052	1.4
69.61046	8.0
81.07065	1.3
91.05480	1.6
98.21529	1.6
119.08636	1.4
133.10100	1.1
235.12228	1.1
251.11751	1.3
389.17856	1.6
390.18661	1.6
391.19342	1.9
405.21109	1.8
417.16949	2.2
418.17963	2.5
431.18961	2.0
432.19788	2.5
433.20538	3.0
445.16238	1.9
447.18066	4.8
447.22626	3.5
449.23981	1.2
459.18387	2.1
460.18475	2.3
461.19284	7.1
462.20477	5.9
475.14774	0.9
475.21320	23.3
476.22003	14.1
477.22955	12.1
489.22708	3.7
503.20602	5.4
504.25034	1.6
505.22488	1.8
506.22513	1.3
507.23993	2.0
517.22339	2.0
519.21533	1.3
520.22717	1.9
533.21979	6.9
534.22510	2.2
535.23389	12.4
536.23853	2.0
537.20868	1.9
548.24207	9.7
549.25037	16.7
558.22021	1.4
561.21753	2.2
565.24670	3.8
576.23376	7.2
579.23212	5.7
580.26959	5.4
593.24005	10.2
608.26270	100.0
609.26703	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	607.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
55.01871	6.9
55.05516	16.2
55.49953	2.3
57.03436	7.4
57.07067	12.8
59.04989	5.1
61.02924	4.4
67.05507	43.4
69.03435	27.8
69.06720	4.2
69.07071	64.8
70.06602	3.0
71.04987	7.6
71.56619	3.3
79.05497	28.1
81.03416	16.7
81.07063	100.0
83.04988	7.4
83.08607	6.7
85.02911	43.6
85.06548	98.1
86.09689	3.3
87.00839	17.9
89.01286	3.6
91.05482	30.0
93.07053	62.6
95.04979	18.3
95.08041	5.3
95.08611	60.8
97.02879	15.1
97.06528	10.3
97.10164	6.3
99.04449	8.9
99.08094	34.6
101.05996	3.6
105.01882	8.6
105.07041	42.7
107.08600	45.4
109.02882	13.3
109.06554	7.2
109.10154	44.5
111.08070	7.9
111.11725	12.7
113.09673	4.0
115.03941	2.4
117.07005	8.8
119.08591	39.1
121.06500	3.6
121.10156	50.1
123.04409	2.9
123.08116	4.0
123.11728	22.5
125.09647	13.8
127.03905	24.3
129.07011	3.1
131.08588	16.9
133.10135	48.5
135.08052	3.8
135.11702	21.5
135.18391	2.7
137.05992	8.5
137.09569	7.8
137.13271	6.5
138.06348	3.7
139.11174	16.7
141.05423	3.0
143.08531	3.6
145.02823	3.4
145.04985	6.5
145.10153	18.3
147.11700	18.1
149.13269	22.8
151.11172	8.6
153.12770	7.3
155.10736	4.8
157.10188	6.5
157.12247	8.8
159.02895	7.0
159.11681	29.5
161.13300	13.4
163.11186	4.5
163.14835	4.3
165.12782	5.8
171.11644	6.7
171.13889	5.0
173.13271	8.4
175.11192	4.9
175.14835	6.6
177.05502	6.1
177.12744	4.9
177.16428	4.7
183.13824	6.7
185.13261	5.7
187.14760	2.8
189.16383	8.8
191.17892	2.7
193.15907	5.3
195.13835	17.3
199.11319	2.9
199.14847	4.8
201.16505	3.4
203.18074	3.2
207.17390	3.6
211.16919	23.7
213.16423	5.2
217.19618	3.5
227.17903	4.2
231.04933	3.2
231.17412	4.0
231.54440	2.9
234.44926	2.8
255.11336	8.6
257.22504	4.9
269.22745	12.6
275.23676	11.1
283.05893	5.4
287.23706	18.1
293.24826	9.3
297.12427	3.0
305.24747	41.5
311.25897	5.1
315.13416	55.9
317.06619	4.9
321.07715	3.3
323.25827	43.1
341.26834	28.4
344.43933	2.8
359.27988	19.7
589.26343	4.0
607.25848	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	607.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.5
57.45030	0.4
64.63932	0.4
65.03938	0.5
67.05471	0.9
68.31016	0.4
68.60516	0.5
69.07038	0.7
69.79271	0.4
70.61383	1.4
72.70171	0.4
73.79094	0.4
74.08359	0.4
76.54943	0.5
79.05489	0.6
81.07026	1.3
90.51803	0.4
91.05482	14.6
93.07027	0.7
95.04927	0.4
95.08571	0.4
98.10423	0.4
105.07024	2.1
107.08544	1.0
109.10115	0.5
115.05447	0.7
117.06985	1.5
119.08570	0.9
123.04380	1.1
129.06970	0.8
131.04927	1.6
131.08560	1.4
133.10077	0.5
141.07039	0.8
145.10156	0.4
147.11591	0.4
149.05919	0.5
152.58633	0.4
155.08540	4.3
158.07288	2.5
159.04404	0.7
159.08023	1.6
161.05959	1.2
167.03288	0.4
169.10085	0.6
170.52841	0.4
173.09656	0.7
173.72987	0.4
175.03934	4.4
177.05418	0.5
178.07729	0.6
183.08029	2.0
185.05939	1.3
187.03941	0.8
187.07436	0.9
189.05481	0.5
191.03319	0.7
197.06044	0.6
201.09117	1.4
203.03392	1.7
203.07010	1.8
203.17935	0.5
205.04918	0.5
211.07545	25.7
211.79720	0.4
212.07924	0.5
212.73398	0.5
213.05557	0.7
214.06265	3.3
215.07011	1.6
227.07083	1.8
227.10677	9.7
229.08612	30.2
230.05682	0.6
239.07040	10.8
239.10654	3.6
241.08394	0.8
242.05740	4.1
243.06471	2.7
245.08099	13.3
257.08099	100.0
258.08557	1.3
269.08197	1.2
306.61569	0.5
351.23209	1.1
363.23340	0.6
461.06125	0.6
483.18057	36.8
484.18216	0.8
607.30457	15.1
608.30481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2909
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
64.86624	0.4
71.04618	1.0
88.65268	0.4
89.05064	0.4
122.79134	0.4
131.51302	0.4
146.94061	0.4
165.20651	0.5
349.02631	0.5
384.27524	0.5
388.16739	0.7
389.17725	1.4
390.18912	0.7
401.17642	1.0
402.18347	1.2
403.19196	2.9
404.20053	1.4
405.20840	1.6
415.19385	0.6
416.20093	1.4
417.16168	0.8
417.21317	3.3
418.21756	2.2
419.22366	3.0
430.17889	1.3
431.18179	6.7
432.18845	2.1
433.24054	8.4
434.24701	1.5
445.19800	8.2
446.20590	4.0
447.21692	4.5
459.21292	3.3
460.22513	12.6
461.23441	11.9
462.24020	0.5
473.23679	2.3
474.23895	1.0
476.32220	0.5
487.25232	2.0
489.22900	0.7
491.24664	0.9
492.25711	1.0
505.21652	2.6
506.26892	0.6
509.76245	0.5
515.24554	0.6
519.23737	1.2
519.27765	1.3
520.24548	0.6
532.24725	1.0
533.25726	0.9
547.27063	27.0
548.27582	1.9
575.26099	1.0
579.28766	0.6
592.26544	0.6
607.29163	100.0
608.29535	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	607.2914
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
70.44965	0.6
71.02451	1.4
87.70891	0.6
241.85083	0.6
246.17743	0.6
387.16510	1.0
388.16885	1.0
389.18155	0.9
401.17508	1.2
402.18402	1.1
403.19107	4.6
404.19724	1.2
405.21042	1.9
416.20102	1.8
417.16171	1.3
417.21350	4.7
418.21597	2.4
419.22391	3.5
429.20950	0.8
430.17694	2.1
431.18198	9.9
431.23563	1.0
432.19446	1.8
433.24191	10.5
434.24539	1.3
444.19305	1.4
445.19876	12.0
446.20798	5.0
447.21426	4.2
455.18958	0.7
459.21442	4.7
460.22504	11.9
461.23431	12.6
473.23520	3.5
474.24304	1.3
477.23239	0.9
487.25333	1.5
505.22882	2.3
519.27710	2.2
547.27063	46.8
548.26917	0.9
607.29169	100.0
608.28412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2556
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.98660	0.2
68.55833	0.2
70.34020	0.2
71.01716	0.3
71.02045	0.4
73.33703	0.2
74.09725	0.5
79.05518	0.3
81.07066	0.4
91.05489	0.8
105.07042	0.5
107.08601	0.3
108.26900	0.3
111.08119	0.2
119.08571	0.3
203.07008	0.4
209.10672	0.4
221.10989	0.3
245.10696	0.3
251.11781	0.4
298.13599	0.3
300.14990	0.3
355.31647	0.3
361.14398	0.4
373.14520	0.4
374.15152	0.3
375.15964	1.4
387.16183	0.7
388.16913	0.9
389.17682	3.6
390.18365	1.6
391.19330	1.2
392.20572	0.3
401.17975	0.6
402.14014	0.4
402.19080	1.4
403.19513	5.1
404.20160	1.7
405.20795	3.6
415.19302	0.7
416.15781	1.3
416.21060	0.4
417.16183	4.6
417.21194	2.3
418.17661	1.2
418.21722	1.2
419.22525	7.1
420.23047	0.9
429.16629	0.5
430.17889	1.0
431.18365	9.0
432.19150	3.6
433.20230	4.0
434.21042	0.5
435.22177	0.4
444.19461	0.5
445.20346	6.2
445.25705	0.5
446.21042	7.7
447.21814	9.0
448.23184	0.6
458.21228	0.3
459.17755	0.9
459.22134	1.2
460.18762	0.8
460.23807	0.4
461.19162	1.6
462.24725	0.6
463.20453	0.5
463.25983	0.6
473.19485	1.1
473.24469	0.6
474.20331	5.4
475.20990	5.1
476.22388	0.3
477.22977	1.0
478.23532	0.5
487.21439	1.5
488.21988	0.5
490.24124	0.6
491.19888	2.5
492.20822	0.3
501.23059	1.1
504.21997	0.4
505.22437	0.9
519.24152	16.9
520.24457	0.6
529.22467	0.4
534.01178	0.3
547.23438	12.7
548.23444	0.6
551.26379	0.7
561.25031	0.5
579.26031	6.0
589.25055	0.5
607.25531	100.0
608.25879	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	606.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
55.05517	4.4
57.03424	1.4
57.07081	19.1
57.07370	1.0
61.02909	0.9
65.03937	0.8
67.05501	0.9
68.79365	0.4
69.03434	2.4
70.04076	0.5
71.04979	0.6
71.11887	0.6
71.12225	0.8
73.02923	4.8
73.06557	0.8
79.05492	0.7
79.35599	0.4
81.03423	0.9
81.07056	1.1
82.04057	0.4
84.97413	0.4
85.02914	6.0
85.06544	0.5
91.05478	1.0
93.07023	0.9
95.04938	0.5
95.08614	1.0
97.02885	3.7
102.05598	0.4
105.07044	1.0
107.08598	1.4
109.02870	0.7
109.06501	0.5
109.10195	0.7
115.03931	1.4
119.08565	0.8
121.02859	2.2
121.10134	0.9
125.41950	0.5
127.03916	1.9
131.08595	0.7
133.04997	1.0
133.10202	1.0
135.11613	0.5
145.04958	1.4
147.11708	0.5
149.02353	100.0
158.79453	0.4
158.97679	2.2
159.11642	0.7
161.05974	1.5
167.03400	0.9
172.49376	0.4
175.07562	4.2
177.05527	0.5
203.07060	6.9
205.08626	9.0
221.08118	1.3
223.09665	0.7
232.17743	0.5
256.00424	5.3
269.45822	0.5
277.14365	40.4
295.15460	2.9
299.05612	0.6
322.24548	0.5
326.30420	0.5
358.07242	3.2
516.92236	0.4
521.64972	0.4
606.32355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2554
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
54.23853	0.5
54.79282	0.6
67.05497	0.8
69.07034	0.9
70.77203	1.9
76.69757	0.5
79.05482	0.6
81.07060	0.7
91.05457	2.0
93.07021	1.0
94.09808	0.5
105.07037	1.3
107.08617	1.0
117.06993	0.6
119.08563	1.0
121.69296	0.5
129.48164	0.6
133.10133	1.1
145.10077	1.1
159.11798	0.6
187.84433	0.6
221.10791	0.7
223.12450	0.6
232.93530	0.6
267.10098	1.2
314.10254	0.7
375.16153	1.0
387.16052	0.8
388.16830	1.9
389.17749	2.9
390.18286	1.4
391.19037	1.2
401.17905	1.3
402.18570	1.6
403.14764	1.0
403.19592	6.5
404.20084	3.0
405.20862	3.2
413.17453	0.6
416.16220	1.5
417.16364	7.0
417.21216	2.0
418.17288	1.2
418.22064	1.0
419.17548	0.9
419.22421	7.9
420.23251	0.8
429.16806	0.8
430.17523	1.4
431.18311	10.8
432.18924	3.4
433.20392	2.7
436.55728	0.6
443.18512	1.1
444.19733	0.7
445.20209	8.5
446.20975	7.7
447.21741	11.5
448.22803	0.9
459.18021	2.6
459.22855	0.9
460.18658	0.9
461.19724	1.5
462.24664	0.7
463.25092	1.8
473.23233	0.9
474.20486	13.0
475.14478	0.9
475.21222	14.3
475.27493	0.8
484.67993	0.6
487.21585	2.6
488.22232	0.9
490.23636	1.2
491.21014	2.0
491.25211	1.3
501.22937	2.2
503.24292	0.9
505.22522	0.6
519.24042	12.6
520.24420	0.7
532.20758	1.1
547.23444	75.1
548.23779	1.8
561.24738	1.7
579.25922	5.2
589.24847	1.1
607.25525	100.0
608.25397	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	606.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71986	0.3
53.03941	0.5
54.78321	0.3
55.01864	0.6
55.05514	4.8
57.03426	1.4
57.07077	16.5
61.02914	0.9
65.03937	1.0
66.83260	0.3
67.05511	0.5
69.03439	2.7
69.07047	0.4
71.58504	0.4
73.02554	0.4
73.02921	4.7
73.06552	1.0
81.03406	0.7
81.07054	0.6
85.02906	5.0
89.56583	0.3
91.05491	0.6
93.07027	0.4
95.08627	0.6
96.08044	0.4
97.02899	3.6
98.63956	0.3
99.04428	0.5
105.07021	0.4
107.08582	0.4
109.10140	0.5
115.03970	1.7
119.08514	0.3
121.02857	2.1
121.10142	0.7
127.03911	1.5
129.07027	0.5
131.08546	0.6
133.04994	0.8
137.06006	0.5
140.68060	0.3
141.43983	0.3
145.04959	1.1
149.02344	100.0
150.02699	0.8
161.05988	1.3
163.05998	0.5
167.03439	1.1
175.06073	0.4
175.07547	4.5
203.07021	5.7
205.08601	8.4
221.08044	1.2
256.00372	0.9
277.14362	36.9
295.15503	3.8
358.07111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92739	0.6
55.05485	1.0
57.07062	0.7
59.06086	2.8
67.05471	1.7
69.07043	1.8
71.58801	0.8
79.05457	1.7
81.03387	1.1
81.07065	3.6
81.40356	0.6
91.05489	5.1
93.07000	2.8
95.04909	1.1
95.08563	1.9
103.05447	1.6
105.03277	0.7
105.07016	3.1
106.41442	0.6
107.08559	1.6
109.02853	0.7
109.06470	1.1
109.10130	1.4
115.05437	1.5
117.06958	0.9
119.08548	2.6
121.10129	1.6
123.11655	0.9
129.07022	1.0
131.04897	2.5
131.08511	2.2
133.10121	1.5
135.11719	0.7
137.05930	0.8
141.06934	1.7
142.11324	0.7
143.08530	1.2
145.10089	1.5
147.11659	1.0
149.02258	0.7
153.06995	1.0
155.08557	4.8
158.07263	2.0
159.04410	1.4
159.08023	2.2
159.11658	0.8
161.05984	1.9
165.07002	1.6
166.07779	2.3
167.03415	1.1
173.09547	0.7
175.03914	5.6
178.07759	1.7
179.07024	0.6
179.08522	2.4
181.10042	1.2
183.08006	2.5
185.05951	1.4
187.03838	1.3
191.03415	1.1
191.08565	1.3
192.07780	0.9
194.07327	1.6
195.08145	1.0
201.05348	0.6
201.09152	1.2
203.03404	1.4
203.07011	8.6
209.09593	1.8
211.07559	27.8
214.06277	2.5
215.06993	1.1
225.09123	18.3
227.07059	4.9
229.05139	1.2
229.08611	31.4
230.05792	1.3
230.09129	1.0
237.09135	18.8
239.07053	10.8
242.05696	2.9
243.06422	1.0
245.08112	31.6
251.10822	1.1
253.08784	0.8
257.08105	100.0
258.08490	1.2
269.08224	1.4
275.20078	1.6
319.10043	1.0
349.21472	1.1
379.28351	1.1
463.15793	1.3
481.16522	44.4
482.16937	1.2
537.23181	0.7
605.29138	27.1
605.39282	2.4
606.28314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.5
57.07075	0.6
59.12919	0.5
66.11873	0.4
67.05521	0.5
68.36788	0.4
69.07075	0.5
69.23027	0.4
69.23321	4.1
70.66367	0.5
79.05465	0.5
81.07056	1.2
91.05494	1.3
93.07076	0.6
95.08620	1.2
98.20605	0.7
105.07040	1.1
107.08625	0.8
109.10162	0.9
119.08597	0.7
131.08557	0.5
135.11693	0.6
145.10181	1.0
150.93367	0.4
159.11743	0.6
169.10112	0.6
201.16402	0.5
203.07047	0.6
220.24374	0.4
223.14809	0.4
257.93396	0.4
276.01056	0.3
373.10419	0.8
401.09973	26.6
402.10275	0.6
544.72638	0.5
558.76758	0.5
605.28790	100.0
606.29602	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	605.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14671	0.3
63.31540	0.3
67.05484	0.4
68.61104	0.3
69.07062	0.5
69.49289	0.3
77.93802	0.3
81.07064	0.9
91.05476	0.5
93.07053	0.7
95.08606	0.7
105.07043	0.5
109.10139	0.5
109.68474	0.3
115.03936	0.3
115.55718	0.3
119.08655	0.4
263.40192	0.3
399.16129	0.4
400.17010	0.3
401.09952	4.9
401.17554	0.5
413.17563	0.8
414.18527	0.8
415.19244	3.4
416.19931	1.5
417.20795	0.7
425.97748	0.3
427.19312	0.6
428.20117	1.2
429.20874	6.7
430.21713	3.1
431.22501	0.9
443.23001	3.0
444.23474	6.5
445.24142	3.8
448.26334	1.0
457.19894	0.9
457.24988	0.7
458.25565	2.3
459.21457	2.0
459.25824	2.2
470.21304	0.8
471.21860	1.3
472.22723	3.1
473.23587	4.8
474.24362	1.7
476.22058	0.7
485.23682	2.6
486.24011	1.4
487.25012	17.4
488.25815	1.4
489.23071	0.7
490.23419	0.5
500.22586	0.5
501.23236	0.5
503.24597	2.0
504.25296	0.8
517.26202	2.0
518.23358	0.6
531.23914	0.6
545.25531	15.8
546.26202	2.8
573.25006	1.1
605.27814	100.0
606.28192	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	605.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14671	0.3
63.31540	0.3
67.05484	0.4
68.61104	0.3
69.07062	0.5
69.49289	0.3
77.93802	0.3
81.07064	0.9
91.05476	0.5
93.07053	0.7
95.08606	0.7
105.07043	0.5
109.10139	0.5
109.68474	0.3
115.03936	0.3
115.55718	0.3
119.08655	0.4
263.40192	0.3
399.16129	0.4
400.17010	0.3
401.09952	4.9
401.17554	0.5
413.17563	0.8
414.18527	0.8
415.19244	3.4
416.19931	1.5
417.20795	0.7
425.97748	0.3
427.19312	0.6
428.20117	1.2
429.20874	6.7
430.21713	3.1
431.22501	0.9
443.23001	3.0
444.23474	6.5
445.24142	3.8
448.26334	1.0
457.19894	0.9
457.24988	0.7
458.25565	2.3
459.21457	2.0
459.25824	2.2
470.21304	0.8
471.21860	1.3
472.22723	3.1
473.23587	4.8
474.24362	1.7
476.22058	0.7
485.23682	2.6
486.24011	1.4
487.25012	17.4
488.25815	1.4
489.23071	0.7
490.23419	0.5
500.22586	0.5
501.23236	0.5
503.24597	2.0
504.25296	0.8
517.26202	2.0
518.23358	0.6
531.23914	0.6
545.25531	15.8
546.26202	2.8
573.25006	1.1
605.27814	100.0
606.28192	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	604.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	15.0
55.01872	9.9
55.05511	28.9
57.03435	7.1
58.06607	20.1
65.03914	4.3
67.05511	94.9
68.34164	3.9
69.03431	46.9
69.07061	26.9
69.33024	5.3
69.33353	37.1
71.04979	11.2
73.02912	4.7
78.77811	4.7
79.05500	82.4
80.04991	4.9
81.02971	7.0
81.03424	93.9
81.07066	100.0
83.04985	9.3
83.08614	13.6
85.02910	28.9
91.05489	71.4
93.07043	87.2
94.09643	4.1
95.04978	18.2
95.08609	73.7
97.02914	40.0
97.06543	9.8
98.21617	4.8
99.04476	12.9
103.05466	5.2
105.07042	48.4
106.07340	4.7
107.04971	6.8
107.08587	54.6
108.04508	29.0
109.02908	25.9
109.06544	9.7
109.10138	28.9
111.04434	9.4
115.05485	6.7
117.07022	21.5
119.08590	47.0
121.06508	5.4
121.10146	44.5
123.04442	4.8
123.08121	5.0
123.11723	13.2
126.05500	6.6
127.03904	15.2
129.07007	11.9
131.08591	45.1
133.06467	6.3
133.10143	35.4
135.08041	6.4
135.11678	38.4
137.06030	5.2
137.09673	6.1
137.13222	4.8
141.05374	6.2
141.06979	6.3
143.08611	10.9
145.06490	8.5
145.10139	35.8
147.11690	26.0
149.13243	12.3
151.11203	5.4
155.08586	7.0
157.06490	5.9
157.10146	12.1
159.08173	5.1
159.11726	23.7
161.09512	5.1
161.13257	11.0
163.11281	5.4
163.14806	8.1
169.10179	7.5
171.11713	11.4
173.13295	21.2
175.14873	5.1
181.10110	6.5
183.08087	4.3
183.11688	5.1
185.13377	8.1
187.11186	7.5
187.14882	9.8
199.14856	6.0
201.16483	6.1
203.07053	8.6
235.13356	4.9
241.15767	4.0
243.21124	8.0
259.20566	9.2
261.22098	27.0
273.22205	5.5
277.21637	8.1
289.21582	7.9
301.21552	6.7
303.23257	11.1
315.23181	4.5
341.24680	5.3
351.23199	11.7
369.24207	28.3
387.25375	18.2
405.26312	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	11.8
69.48936	3.1
69.49361	5.9
77.15268	1.1
81.69623	0.9
84.96021	3.9
85.02899	1.9
85.43819	1.0
98.97585	100.0
110.96813	2.0
110.97564	15.3
112.99124	2.6
116.98632	24.0
122.32547	1.2
126.97044	1.1
127.00671	1.3
128.98616	8.7
131.00186	2.3
134.99629	2.7
140.98592	1.7
143.00180	2.8
145.01723	2.4
146.99632	1.1
147.03241	3.9
147.04381	1.6
152.98592	2.2
158.99660	52.7
161.01196	2.3
168.64220	1.1
170.99660	5.2
171.03328	5.7
175.02798	1.8
177.00706	25.3
189.00732	2.6
189.04398	7.8
201.00739	4.3
219.01775	27.9
231.05476	3.2
237.02814	19.7
271.08466	1.1
291.04297	1.8
291.07507	21.1
295.04614	1.1
309.08575	45.9
332.10364	1.3
337.08160	1.4
351.09634	93.7
360.54773	1.4
431.97696	1.0
543.19843	5.0
603.18506	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47598	3.2
53.03950	9.7
54.12319	2.8
55.01867	4.3
55.05518	20.8
57.03433	5.0
57.07081	30.0
65.03933	6.3
67.05506	39.5
69.03426	10.5
69.07069	29.9
71.08636	14.6
71.33176	5.0
71.33524	4.1
79.05500	38.0
80.05843	3.3
81.03424	66.6
81.07062	51.2
81.07509	4.3
83.04990	16.8
83.08609	15.9
85.10188	8.3
89.06032	7.6
91.04957	6.7
91.05487	81.7
93.07051	66.0
94.06070	3.0
95.04976	22.2
95.08611	52.6
97.06518	15.1
97.10149	3.2
103.05459	6.9
105.07041	100.0
106.07349	8.7
107.04969	13.7
107.08603	68.2
108.08910	5.1
109.06506	17.3
109.10160	33.4
111.08120	6.3
113.19573	3.4
115.05454	13.9
117.07005	26.5
119.08585	95.9
120.08922	4.7
121.06526	14.2
121.10161	59.4
123.08079	12.8
123.11725	12.5
125.06004	7.4
125.09628	12.5
128.06239	11.5
129.07030	20.9
130.07817	4.8
131.04971	10.7
131.08585	37.4
133.06506	12.6
133.10139	50.9
134.10461	4.8
135.08047	17.8
135.11678	17.4
137.06017	7.1
137.09641	9.5
141.06998	12.2
142.07764	14.9
143.08568	35.0
144.09329	9.5
145.06496	9.6
145.10139	54.6
147.04440	7.5
147.08080	14.2
147.11719	16.6
149.09621	10.3
151.07567	7.7
153.06979	6.2
155.08572	16.2
155.10657	5.5
156.09354	15.1
157.06563	5.2
157.10144	40.7
158.10780	7.7
159.04408	8.1
159.08089	11.4
159.11728	35.3
160.05193	16.1
161.02319	4.4
161.06017	34.5
161.09637	18.5
161.13287	12.2
163.11215	8.1
165.05569	4.2
165.07018	4.4
165.09151	7.8
167.08546	8.2
167.10696	35.3
168.09164	3.5
169.10152	27.0
169.81389	3.7
170.10861	6.5
171.08047	5.6
171.11644	23.3
173.06003	20.7
173.09622	7.6
173.13249	12.1
175.07556	4.6
175.11205	6.9
175.14836	13.5
176.11577	3.5
177.05510	16.1
178.07790	3.9
179.08589	5.0
181.10114	15.6
181.12245	8.6
182.10829	10.0
183.11702	18.9
184.12300	5.6
185.05969	4.2
185.09576	3.9
185.13243	17.0
186.06784	3.1
187.07532	8.7
187.11241	4.5
187.14818	12.7
189.09090	7.1
189.12723	9.4
191.14299	5.5
193.05040	3.4
193.10144	11.7
194.10748	5.1
195.11761	19.3
196.12332	8.9
197.13245	23.9
198.13782	6.9
199.11160	4.9
199.14790	9.7
200.15245	4.4
201.12781	5.8
201.16414	8.8
203.07047	55.3
203.10672	7.5
203.14287	7.4
204.07425	7.4
206.10992	3.3
207.11752	13.1
209.13274	15.8
211.11121	3.7
211.14857	9.5
213.09064	4.9
213.16299	7.1
215.14297	7.5
221.13243	10.4
221.15404	26.2
223.14803	10.7
224.96376	3.2
225.16400	5.0
229.08511	4.0
233.15367	21.0
234.14008	4.2
235.14813	8.9
236.15588	4.3
237.16467	8.2
241.08878	3.5
243.10104	5.9
243.13945	10.9
245.13301	5.7
249.16400	6.0
251.17958	3.4
255.17381	5.1
257.18964	3.3
261.16309	4.6
265.19467	5.6
267.17380	3.2
269.08151	5.4
271.13260	43.6
275.17786	4.7
281.18872	3.9
285.18451	3.6
289.14417	11.8
313.27319	18.5
345.16968	8.9
353.13864	5.6
379.11478	9.1
380.15723	6.0
381.13055	5.7
397.12753	5.8
407.22366	4.8
544.41138	3.5
583.29749	19.0
583.41083	9.0
601.28381	16.0
601.40881	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04737	2.9
53.03944	5.7
55.01861	3.8
55.05524	24.9
57.03418	3.7
57.07080	14.7
59.05002	4.9
65.03923	5.3
67.05505	35.9
69.03423	13.1
69.07079	31.8
70.33054	2.7
70.81847	3.0
71.08625	3.6
79.05489	38.7
81.03416	6.7
81.07061	51.0
83.04993	22.8
83.08636	15.0
85.06538	8.0
85.07634	3.1
87.04488	6.4
89.06027	10.6
91.04958	5.1
91.05485	67.4
93.07049	83.8
95.04977	29.3
95.08613	46.4
97.06536	14.5
97.10163	3.4
103.05459	9.4
104.06247	3.3
105.07031	100.0
106.07347	3.3
107.04958	10.1
107.08599	80.5
108.08965	4.9
109.06523	18.2
109.10155	35.3
111.04434	2.9
111.08079	5.9
113.09655	5.4
115.05444	9.2
116.06229	5.5
117.07023	25.9
119.04945	4.2
119.08588	99.9
121.06507	14.8
121.10153	91.2
123.08096	18.7
123.11727	18.0
124.46416	4.0
125.09623	14.3
128.06203	14.8
129.07022	21.0
130.07765	8.5
131.08588	46.0
132.09239	3.3
133.06485	5.7
133.08583	5.9
133.10135	61.1
135.08058	19.2
135.11743	18.0
137.09613	4.6
139.11258	6.7
141.07025	14.9
142.07811	21.7
143.08578	49.4
144.09239	7.0
145.06465	7.2
145.10127	75.4
146.10487	6.7
147.08096	14.9
147.11702	31.5
149.09641	18.6
149.13338	7.3
151.07536	9.0
151.11130	3.4
153.07027	5.2
154.07724	3.4
155.08572	15.6
155.10701	3.6
156.09390	20.7
157.10143	50.7
158.07231	3.3
158.10742	7.0
159.08075	19.5
159.11719	40.3
159.13062	4.7
160.08426	4.2
160.12105	6.5
161.02278	3.8
161.05989	8.4
161.09637	14.3
161.13240	10.6
163.11183	11.9
165.05434	3.1
165.06979	7.6
165.09137	12.7
166.07716	3.6
167.08516	11.3
167.10698	57.7
168.09326	3.8
169.10179	23.7
170.10768	6.0
171.07986	4.1
171.11703	44.9
172.12193	4.1
173.05988	3.4
173.09579	8.2
173.13258	28.9
174.10147	3.4
174.13574	3.6
175.03857	4.0
175.11166	12.2
175.14941	7.0
176.80553	2.8
177.05505	10.1
177.12604	4.1
178.05827	4.3
179.07019	10.4
179.08562	10.9
180.09172	4.3
181.10164	18.5
182.10867	11.1
183.11725	29.3
184.12312	8.5
185.09648	5.3
185.13197	20.7
187.11145	7.2
187.14832	11.4
189.12772	7.5
191.14238	5.3
192.09370	9.2
193.10129	16.0
194.10941	7.3
195.11734	27.0
195.13414	4.5
196.12413	9.7
197.09520	3.1
197.13245	25.2
198.13864	5.2
199.11153	4.6
199.14853	13.8
201.12740	5.7
201.16396	8.7
203.03516	4.2
203.07034	40.5
203.14304	8.3
203.17818	4.0
204.07379	7.5
206.10829	4.7
207.06479	3.4
207.11761	14.8
207.13556	3.4
208.12350	8.1
209.13246	23.3
210.13797	8.0
211.11255	3.4
211.14803	14.7
212.15445	4.0
213.12672	7.4
213.16356	4.7
214.13208	3.6
215.14334	9.1
217.10094	3.7
217.15833	5.8
219.11853	4.4
220.12343	3.6
221.13210	12.3
221.15388	19.4
222.13646	3.8
223.14786	14.9
225.12859	4.3
225.16455	8.6
229.08568	4.9
230.09056	4.4
231.11646	4.1
233.13367	5.0
233.15355	26.6
234.13840	6.2
235.14792	9.4
236.15286	4.3
237.16380	8.0
238.16794	4.5
239.18121	5.3
243.10149	4.2
243.13969	4.0
247.14841	8.0
249.16429	7.1
251.17975	9.4
253.15808	3.2
255.17418	7.2
256.17603	4.2
263.17914	5.7
265.19418	3.8
269.19055	8.4
275.17828	5.5
277.19540	6.7
281.18860	4.4
283.20364	7.6
289.19482	4.5
299.20172	5.3
307.09521	3.8
311.20282	3.8
313.21744	3.2
323.20108	4.6
341.21356	5.3
360.24149	3.5
379.15167	6.9
380.12033	4.6
381.13138	7.2
381.24008	5.3
395.11029	4.7
407.21875	4.1
411.14783	4.3
413.14752	6.3
459.13730	5.2
491.35367	3.6
565.40033	3.1
583.30048	5.7
583.41321	7.0
592.25714	3.6
601.27667	88.5
601.42480	18.9
602.27509	5.9
616.85297	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	601.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.7
55.01887	3.7
55.05519	19.7
57.07063	9.3
59.04992	2.8
65.03948	5.2
67.05506	33.7
67.37610	3.0
69.03429	12.6
69.07072	31.5
69.25882	28.5
71.04990	4.8
71.08646	4.0
79.05497	36.8
80.31712	2.7
81.03388	4.1
81.06635	4.0
81.07067	45.2
82.07393	3.1
83.04977	13.8
83.08634	16.0
85.06523	6.7
87.04454	8.1
89.06041	9.1
91.04955	5.6
91.05489	59.5
92.05825	5.4
93.07059	62.6
95.04979	24.9
95.08619	46.1
96.08927	2.9
97.06540	15.0
97.10173	3.0
103.05497	4.9
105.07040	100.0
106.07352	7.5
107.08603	70.1
108.08964	3.0
109.06515	15.2
109.10178	38.2
110.10439	3.1
111.08065	3.3
113.09632	6.7
115.05451	7.7
117.07032	23.3
118.07350	2.8
119.04919	5.0
119.08595	84.2
119.27567	3.3
120.08857	5.9
121.06552	14.1
121.10153	68.2
123.08058	14.8
123.11717	10.0
125.09653	11.4
126.21697	2.5
128.06256	9.2
129.07025	15.2
130.07776	9.8
131.08580	42.0
132.79031	3.0
133.06490	7.7
133.08620	5.6
133.10150	50.1
135.08090	17.9
135.11694	18.7
137.09624	9.5
139.11253	4.8
141.07010	8.7
142.07822	16.6
143.08588	35.3
144.09288	9.4
145.06459	3.6
145.10147	71.0
146.07301	4.9
146.10500	7.1
147.08037	14.4
147.11694	23.0
149.05998	4.8
149.09648	17.8
149.13257	6.3
151.07510	6.5
154.07834	2.8
155.08580	16.0
155.10655	4.0
156.09392	14.0
157.10158	46.9
157.11407	2.4
158.07242	3.4
158.10780	8.5
159.08105	14.4
159.11705	32.1
161.02309	3.7
161.09631	12.0
161.13254	10.3
163.11174	7.7
165.06981	6.5
165.09177	9.5
167.08578	9.3
167.09383	2.9
167.10707	42.8
168.09286	3.7
169.10135	22.9
170.10925	8.3
171.08110	5.0
171.11714	33.3
173.09642	7.5
173.13312	21.4
175.11226	7.0
175.14792	11.6
177.05455	12.9
177.11276	3.7
177.12743	3.8
178.05830	10.7
179.07172	3.8
179.08563	14.3
180.09241	4.2
181.10095	13.3
181.12257	5.3
182.10860	8.9
183.11711	15.5
184.12181	3.7
185.09695	4.2
185.13208	14.5
187.11217	6.2
187.14810	10.2
189.09128	4.0
189.12796	7.6
192.09370	6.3
193.08623	3.6
193.10077	16.7
194.10756	6.6
195.11667	20.0
196.12410	3.7
197.13272	25.4
198.13541	3.8
199.11235	3.8
199.14783	12.2
200.11809	3.3
201.12820	3.7
201.16377	8.8
203.03340	3.6
203.07034	49.0
203.14326	5.7
203.18028	8.7
204.07405	11.3
205.07637	4.5
205.15927	3.4
206.10927	8.8
207.11664	7.5
208.12364	6.7
209.09651	3.4
209.13297	20.2
210.14058	5.9
211.14819	12.7
213.09079	3.8
213.16405	7.0
215.14325	5.1
215.62190	3.0
217.15846	4.4
219.11633	5.4
220.12404	5.0
221.13264	10.2
221.15427	15.0
223.14819	9.3
224.15344	5.1
225.16441	7.3
227.14308	4.8
229.08481	6.3
232.12563	3.0
233.13222	7.4
233.15372	21.9
234.13867	5.2
235.14821	10.8
237.16559	6.5
238.16666	3.2
243.10249	8.8
245.13220	4.9
247.14693	4.9
249.16466	4.9
251.18039	5.5
255.17400	5.3
257.94247	3.2
259.09717	4.0
261.16351	4.8
263.17993	4.2
265.19553	3.9
267.09979	3.7
269.19009	6.5
270.98590	5.6
273.18686	4.5
275.17896	4.9
283.20325	2.9
287.20337	4.8
295.20377	3.6
299.20258	3.5
335.12668	3.5
353.13916	3.7
361.25128	3.5
363.12396	3.7
379.11514	3.6
380.12357	3.0
381.12787	8.1
407.21976	3.0
583.30286	14.1
583.41248	7.6
601.27161	52.1
601.38519	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.05517	17.9
57.07069	6.3
59.04998	5.1
61.25391	2.3
65.03934	5.2
66.92062	2.3
67.05511	31.6
69.03440	14.3
69.07069	21.1
69.24725	17.6
69.25137	4.5
70.71960	2.3
70.80062	2.3
71.04967	2.4
75.64914	2.2
76.95323	2.2
77.03911	2.8
77.36957	2.0
79.05497	39.0
80.05837	3.2
81.07063	40.5
82.07359	2.1
83.04982	15.5
83.08633	15.3
85.06534	8.3
87.04449	2.8
87.09207	5.8
91.05489	55.4
92.05804	3.3
93.07048	69.5
94.07389	3.1
95.04977	21.9
95.08045	3.9
95.08611	34.7
95.62418	2.2
97.06543	15.1
103.05480	4.8
105.07035	100.0
106.07375	4.7
107.08598	68.3
109.06499	18.0
109.10161	29.8
111.08083	8.2
111.11728	3.0
113.09634	4.4
115.05455	6.2
116.06234	3.5
117.07028	26.8
119.08587	85.9
120.08884	4.8
121.06530	12.5
121.10140	68.9
122.10480	5.0
123.08050	12.9
123.11697	10.6
124.08453	3.1
125.05988	3.0
125.09627	13.1
128.06255	14.1
129.07007	19.9
130.07755	9.1
131.08577	38.6
132.08908	4.1
133.06505	5.8
133.10143	54.8
135.08081	17.8
135.11694	19.5
137.09596	7.1
139.11208	4.9
140.08513	2.7
141.06992	9.9
142.07794	22.8
143.08588	43.9
144.09279	10.2
144.12421	2.6
145.06505	5.1
145.10141	59.9
146.10492	4.2
147.08092	10.9
147.11716	19.0
149.09641	16.2
149.13141	3.0
151.07530	5.8
153.06967	3.0
154.07683	2.3
155.08519	19.1
155.10628	6.1
156.09395	18.0
157.10146	52.5
158.10777	7.7
159.08057	14.1
159.11716	39.5
160.12057	4.5
161.09631	11.7
161.13211	7.9
163.11157	7.6
165.07033	5.8
165.09270	4.6
166.07742	2.0
167.08574	11.1
167.10684	47.6
168.09286	9.1
169.10146	32.3
170.10834	8.2
171.11696	28.8
172.12332	3.2
173.09616	3.7
173.13290	21.4
173.75754	2.4
175.11201	10.0
175.14871	12.4
179.08577	8.6
180.09207	6.4
181.10165	16.1
181.12308	4.1
182.10870	9.2
183.08000	2.7
183.11707	23.1
184.12172	3.7
185.09624	5.1
185.13277	14.5
186.13777	3.0
187.11176	7.1
187.14799	9.8
189.12782	7.2
191.14337	5.2
192.09212	2.7
193.10220	12.5
194.10820	8.5
195.11731	21.9
196.12354	11.8
197.09753	3.0
197.13280	21.4
198.13776	5.2
199.11134	6.7
199.14867	11.5
201.12628	5.7
201.16441	5.3
203.03461	4.0
203.07059	6.8
203.14308	5.4
205.10159	4.9
206.10922	6.2
207.11668	14.6
207.13583	4.9
208.12381	9.1
209.13263	18.7
210.13716	5.9
211.11111	3.7
211.14787	15.7
212.15228	4.0
213.12782	5.6
213.16351	3.3
215.14279	6.0
217.15942	3.1
219.11720	6.7
219.17346	2.7
220.12393	5.4
221.13190	10.8
221.15375	15.4
222.13850	3.1
223.14786	15.6
224.15428	2.6
225.12701	6.7
225.16379	8.8
226.16730	2.8
227.14262	5.7
231.11646	2.3
232.06174	2.3
232.12343	2.8
233.13200	6.2
233.15379	27.0
234.13844	4.4
234.15935	3.5
235.14780	10.1
237.16382	7.9
239.14174	3.1
239.17960	3.1
246.14017	3.0
247.14810	6.6
249.16473	6.8
251.17947	5.4
252.18599	2.2
255.17484	7.0
259.14877	3.7
260.15286	3.0
261.16351	6.6
263.17886	6.3
265.19467	4.0
269.19012	7.3
273.16055	3.3
273.18591	3.0
275.17822	3.7
277.19742	4.3
281.18964	6.5
283.20667	3.5
285.83459	2.2
289.19434	3.6
291.21060	2.7
295.20401	3.3
307.20514	3.1
349.25104	3.1
375.26846	3.6
442.94434	2.6
565.39917	3.7
568.45746	3.0
583.41150	9.0
601.27179	5.3
601.41797	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	601.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23617	3.5
53.03947	7.8
55.01864	6.0
55.05505	15.5
57.07073	6.6
61.67928	2.8
65.03931	6.0
67.05510	32.4
69.03426	11.5
69.07080	29.3
71.04967	3.3
71.31567	4.7
79.05500	32.1
81.03403	6.3
81.07070	50.3
82.07346	3.0
83.04974	10.6
83.08626	8.8
85.02926	3.2
85.06541	6.1
87.04462	3.6
88.31905	3.3
90.70764	3.0
91.05482	58.5
92.05806	3.2
93.07056	63.6
94.07355	4.6
95.04971	18.1
95.08615	40.6
96.05302	3.1
97.06541	10.1
102.86615	3.1
103.05461	4.4
105.07039	77.6
106.07380	3.7
107.04950	4.4
107.08604	53.1
108.08938	5.2
109.06526	14.4
109.10172	36.1
111.04417	5.4
111.08035	3.5
115.05472	6.9
117.07021	19.1
119.04919	3.3
119.08586	84.2
120.08939	7.2
121.06521	13.5
121.10155	55.0
122.10432	4.0
123.08073	17.6
123.11703	9.4
125.05984	4.1
125.09645	10.6
128.06235	10.7
129.07048	16.0
131.08586	29.6
132.08850	4.3
133.06485	6.5
133.10138	42.8
134.10423	4.5
135.08090	16.7
135.11676	16.2
137.09625	9.7
139.03893	4.9
139.11179	3.5
141.07016	9.2
142.07782	17.4
143.08589	29.4
143.24199	3.0
144.09248	6.7
145.06503	5.5
145.10139	47.8
146.10439	4.5
147.04407	4.8
147.08090	16.3
147.11702	19.9
148.08461	4.2
149.09618	13.0
149.13303	4.6
151.03883	4.6
151.07561	8.5
154.07739	3.8
155.08563	17.9
156.09294	10.6
157.10139	43.8
158.10654	9.2
159.08099	14.8
159.11693	32.6
160.08618	3.5
160.12013	4.0
161.02394	4.9
161.06004	9.5
161.09615	9.4
161.13249	10.4
163.11203	8.8
165.07027	6.8
165.09135	16.1
166.09486	3.4
167.08508	8.6
167.10669	22.4
168.09329	5.0
169.10170	20.5
170.10927	6.0
171.11703	22.8
172.12288	4.9
173.09663	8.6
173.13240	15.2
175.03891	5.1
175.07565	5.9
175.11214	10.3
175.14833	6.7
177.05482	18.7
178.05736	4.5
179.08539	9.7
180.09264	7.3
181.10052	13.0
181.12210	4.3
182.10904	6.4
183.11647	13.1
184.12273	6.6
185.05997	4.0
185.09602	4.3
185.13251	12.2
186.13626	4.0
187.07533	4.2
187.11119	4.4
187.14850	9.1
189.12770	8.5
189.16426	5.4
193.10112	9.4
194.10875	5.0
195.11693	15.8
196.12299	5.5
197.13199	15.6
199.07442	4.5
199.11166	7.6
199.14784	9.5
201.16345	5.7
203.03351	9.4
203.07047	100.0
203.14299	7.7
203.17958	8.5
204.07416	7.7
205.04913	5.0
206.10847	5.8
207.06555	5.9
207.11743	11.0
207.13750	4.9
208.12482	4.1
209.13196	11.1
210.13829	3.3
211.14799	9.1
213.09169	4.2
217.15767	3.7
219.11697	9.0
221.13226	9.6
221.15382	36.4
222.13712	3.9
222.15672	8.4
223.14835	7.1
225.12634	4.2
225.16408	5.3
227.03157	8.8
229.08511	11.0
233.13254	6.5
233.15384	16.4
235.14735	5.6
236.15346	4.6
243.10136	9.3
247.16888	4.1
249.16412	4.7
251.18022	6.4
255.17477	3.8
256.17722	4.3
265.19446	3.7
269.19037	5.5
281.19046	4.0
293.18759	4.4
299.20029	5.9
303.19550	5.0
304.19940	5.0
313.21567	7.1
331.16547	4.5
345.14621	8.7
352.23895	6.4
353.24329	10.6
379.11804	6.3
380.11890	4.5
381.12781	7.3
381.23904	4.5
397.12848	9.6
401.10025	51.1
407.21890	8.8
411.14438	11.4
419.14398	4.0
465.22641	7.1
503.34323	4.4
521.35864	8.1
583.30023	13.8
583.40570	5.0
601.24487	66.8
601.33704	9.0
601.42389	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	601.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37638	1.5
52.56752	1.3
53.03931	2.5
55.01864	2.8
55.05497	4.3
55.71426	1.5
57.07070	2.3
65.03929	2.3
67.05503	8.2
69.03429	2.2
69.07066	15.2
69.61029	10.4
71.37061	1.3
77.03937	1.5
79.05473	6.9
81.03419	2.1
81.07059	21.3
83.04943	2.9
85.02899	6.5
91.05481	16.6
93.07067	8.8
95.04977	4.1
95.08613	11.2
98.20869	3.0
103.05451	2.6
105.07033	17.6
106.04131	2.2
107.04927	2.3
107.08607	11.6
109.06511	6.4
109.10143	10.4
111.04440	5.6
115.05453	1.7
117.07018	5.8
119.04945	2.0
119.08581	24.1
121.02849	3.2
121.06485	11.7
121.10158	7.1
123.04457	1.9
123.08044	5.1
123.11675	4.0
125.05981	4.0
128.06238	2.0
129.07022	4.4
131.04930	2.6
131.08578	5.1
133.02908	2.0
133.06465	3.5
133.10115	5.7
134.03641	1.9
135.08046	4.0
135.11667	3.0
136.33612	1.4
137.13210	2.0
139.03876	5.8
141.05475	3.0
141.07025	3.1
143.08563	4.1
145.06464	4.9
145.10127	8.9
146.10487	1.6
147.04419	6.2
147.08035	7.2
147.11703	3.4
148.05217	2.4
149.02321	1.5
149.06003	9.1
149.09645	2.5
149.13245	4.5
151.07562	7.4
153.05542	2.6
153.07036	1.7
153.09161	1.6
155.08542	4.2
157.10117	4.5
159.08067	2.5
159.11690	5.2
160.05138	2.0
161.02335	6.1
161.05969	9.1
161.09663	2.4
161.13214	2.7
162.03178	1.7
163.07521	4.8
163.11201	2.7
165.05562	1.8
165.09146	10.4
167.08571	2.0
169.06511	2.0
169.10161	4.1
171.11700	3.8
172.08812	1.8
173.06000	3.8
173.09631	3.0
173.13316	1.6
174.06734	1.9
175.03926	4.1
175.07552	5.0
175.11098	2.4
177.05478	68.0
177.09018	8.7
179.07014	7.2
179.08456	3.1
181.06480	1.6
181.09978	2.0
182.07315	2.7
183.08034	1.5
183.11646	2.2
185.05934	5.2
185.13234	2.7
187.03897	2.4
187.07550	1.9
187.11157	2.4
189.05469	5.3
189.09108	5.3
189.12726	2.6
191.07037	3.8
197.09549	3.4
197.13345	3.2
199.07451	2.7
199.11227	1.8
201.05423	2.7
201.09122	3.9
201.12598	1.5
203.03584	10.2
203.07034	100.0
203.14259	1.8
203.17795	2.6
204.07368	2.0
205.04965	10.5
205.12227	2.2
207.06470	7.1
207.11745	1.7
213.09065	2.4
215.10698	4.4
221.13464	2.2
221.15358	11.5
225.09196	2.3
229.08595	10.2
229.12227	1.9
231.10175	2.3
231.13768	3.0
241.08615	2.3
243.10181	46.9
244.10481	2.1
245.15331	7.7
257.15369	2.6
259.09720	2.0
261.11227	4.7
269.08163	3.1
295.20605	2.6
313.21667	16.9
319.09729	1.7
323.20016	1.8
333.11197	1.8
341.21054	7.1
351.12155	3.5
352.23755	2.5
353.24313	2.5
360.24503	2.0
367.22775	2.0
370.67526	1.5
379.11758	33.4
381.13358	3.9
381.24261	6.5
382.24991	5.1
397.12997	2.6
399.25345	7.1
411.14407	4.4
441.29529	3.3
491.20578	10.0
519.24078	2.5
521.35919	1.8
569.29102	2.1
583.30542	79.1
584.30591	3.0
601.31207	19.3
601.41895	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.0
55.05513	3.8
65.03954	2.0
67.05513	9.7
69.07064	7.6
69.43754	9.2
69.44178	4.8
72.45412	1.7
77.64447	1.8
79.05501	7.1
79.83254	1.6
81.07059	18.6
91.05490	7.1
93.03457	1.6
93.07037	8.8
95.01307	2.3
95.05003	2.2
95.08607	18.1
99.70238	1.8
103.05479	2.4
105.07038	8.0
107.04967	4.8
107.08598	5.5
109.06535	4.9
109.10172	23.9
115.05521	2.5
117.06986	2.6
119.04799	1.7
119.08589	5.8
121.06523	9.7
121.10165	5.7
123.11717	5.6
125.06057	2.2
129.07077	2.5
131.04919	4.1
131.08568	3.3
133.02875	16.1
133.10159	2.8
134.03625	2.3
135.04465	3.5
135.11723	9.0
137.05980	5.5
141.06932	2.1
143.08606	1.8
145.10190	2.3
147.04401	4.0
147.08040	4.0
149.05965	11.2
149.13271	10.0
153.05521	13.6
155.08545	2.4
161.02356	7.5
161.06001	6.1
162.03171	5.1
163.03938	10.4
165.05502	15.2
165.06805	2.8
167.03407	3.0
169.10196	2.4
171.08116	2.7
175.07536	3.2
177.05479	74.9
178.06258	28.4
185.06023	4.1
187.03922	2.6
187.07477	3.3
189.09113	6.1
193.04947	20.3
195.06537	4.8
197.09584	2.1
199.07681	2.7
201.09161	6.9
203.07043	100.0
203.17929	2.7
205.19508	3.5
211.07506	5.7
213.09137	8.2
229.08591	15.0
236.42715	1.9
241.08673	4.2
243.10155	15.6
257.08173	2.3
267.10211	2.7
269.08179	7.0
291.10028	2.5
294.08893	2.0
309.11209	4.0
310.08505	2.3
319.09732	3.5
320.32144	2.0
321.11224	4.5
323.08911	2.9
325.14359	11.0
353.13867	48.3
367.11765	7.2
379.11746	5.0
381.24277	2.3
397.12936	47.9
411.14383	2.6
583.30634	6.6
601.31372	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82014	1.1
55.01863	1.7
55.05519	2.4
57.07058	1.9
59.04983	1.4
67.05506	6.9
69.07075	15.9
70.75346	2.6
79.05492	4.9
81.07061	20.6
83.04987	1.8
83.08613	1.7
85.02915	3.8
88.92467	1.1
91.05482	8.0
93.03389	1.1
93.07051	6.5
95.01333	1.6
95.04975	2.7
95.08611	15.6
96.51978	1.0
103.05481	1.7
105.07054	6.2
107.04980	2.5
107.08598	6.5
109.02864	1.2
109.06512	2.4
109.10148	6.7
111.04430	1.6
115.05460	3.4
117.07038	4.0
119.04961	1.7
119.08604	5.9
121.02911	1.6
121.06512	4.7
121.10137	4.7
123.08076	1.5
123.11747	2.3
128.06195	2.9
129.07013	6.3
130.07864	1.3
131.04948	1.7
131.08539	2.9
133.02818	1.9
133.06451	1.2
133.10120	2.3
135.04369	1.3
135.08035	1.5
135.11678	3.5
137.03629	1.2
141.07004	3.4
142.07730	1.7
143.08539	2.5
145.06514	4.4
145.10159	2.9
147.04453	3.5
147.08051	4.2
147.11658	2.8
149.02315	2.9
149.05989	2.8
149.13287	2.4
153.06947	2.3
154.07727	1.3
155.08594	3.6
157.06508	1.6
157.10178	2.4
157.74542	1.4
158.07216	1.3
159.08015	2.6
159.11659	1.7
160.05238	1.3
161.02284	6.8
161.05992	7.0
163.03915	1.4
165.05537	1.1
167.08636	2.7
169.10139	3.2
171.04337	1.5
171.08064	3.2
173.06036	2.5
173.09650	1.4
175.07573	5.0
177.05486	20.4
177.09074	4.4
177.16382	1.6
179.08575	2.1
179.10820	1.3
181.06506	2.6
181.10069	1.4
182.07294	1.9
183.07947	1.3
185.05968	3.8
185.09583	2.8
187.03922	1.9
187.07602	3.0
189.05438	1.7
189.09035	5.6
191.07045	5.3
193.04915	2.1
195.08084	4.3
197.09630	2.1
199.07538	6.1
201.09155	3.6
203.07037	100.0
203.18004	1.8
205.08691	2.0
207.06406	1.6
207.08160	1.3
211.07552	3.2
213.09105	4.7
215.10655	2.3
221.08051	2.5
223.07578	5.0
225.09140	2.1
226.06187	2.8
227.07185	1.2
227.10670	1.3
229.08569	8.1
229.12125	1.5
231.10118	2.5
241.08597	19.8
243.10205	16.1
245.11708	2.9
257.08200	3.8
257.11829	2.8
269.08112	32.8
269.10962	2.1
271.09735	4.9
280.68182	1.2
297.14944	1.4
297.18304	1.6
297.21631	1.2
313.17944	1.8
313.21390	2.7
333.11389	3.4
353.14053	2.2
372.48325	1.2
379.11526	2.0
381.24136	5.5
382.25180	1.6
397.08325	1.5
397.13071	2.7
407.22116	1.6
425.15863	3.8
451.17471	6.5
465.19025	1.8
477.19119	2.8
498.72946	1.3
569.28534	1.4
583.30554	56.8
583.39832	2.8
584.30853	2.3
586.90680	1.4
601.31378	7.1
614.52783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84779	0.6
57.07034	0.7
67.05501	1.7
69.07064	0.9
70.82760	0.6
71.58202	0.6
79.05482	1.2
81.03404	1.0
81.07066	1.7
89.06018	1.6
91.05466	2.2
93.07034	2.2
95.08578	1.0
105.07009	1.9
107.08551	0.7
109.10152	0.9
119.08578	2.0
121.10168	0.7
131.08569	1.0
133.08627	0.8
145.10117	0.9
159.11728	1.1
173.02109	2.9
177.05437	1.1
203.07076	2.4
204.03847	0.7
213.05307	0.7
215.03154	1.8
227.03181	7.5
230.05516	1.0
232.85405	0.7
242.05582	0.8
243.06325	3.0
259.09402	0.9
270.08820	1.2
271.16803	0.9
325.14026	1.0
335.12469	0.7
353.09793	1.7
377.20639	0.9
379.07748	0.9
379.15186	1.0
381.09460	29.2
383.89902	0.7
395.18384	1.2
395.22220	7.7
405.13110	2.0
415.18817	1.2
422.11859	1.3
431.11310	0.8
431.18488	1.1
433.12613	4.5
449.12006	6.7
456.36746	0.6
542.14246	0.7
549.47968	0.6
569.21472	5.6
583.27625	2.7
601.28094	100.0
601.37024	12.1
602.27313	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	601.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30827	0.5
53.46239	0.4
55.05511	0.8
55.30757	0.4
57.07081	0.6
65.03902	0.4
65.89004	0.4
67.05501	2.2
69.07055	1.0
69.70676	0.4
79.05495	1.6
81.07079	2.2
82.38691	0.4
83.04996	0.5
83.08646	0.6
85.02877	0.5
91.05485	3.1
93.07070	2.5
95.04991	1.0
95.08617	2.1
97.06519	0.5
102.88966	0.5
105.07039	3.6
107.08601	3.0
109.06534	1.0
109.10180	1.8
117.07054	1.0
118.44796	0.4
119.08594	3.6
121.06509	1.1
121.10141	2.4
123.08095	0.9
125.05972	0.5
128.06178	0.4
129.07010	0.6
131.08578	1.8
133.06461	0.6
133.10155	2.4
135.08070	1.0
135.11707	1.5
135.56783	0.4
137.09622	0.7
137.57259	0.5
142.07782	0.7
143.08572	1.4
145.10124	2.0
147.08046	0.9
147.11729	1.0
151.07603	1.8
155.07133	0.4
155.08597	0.5
156.09331	0.5
157.10164	1.5
159.08034	0.6
159.11748	1.4
161.09625	0.8
161.13338	0.5
163.11270	0.7
163.64038	0.4
165.09142	1.2
167.08612	0.7
167.45622	0.5
169.10240	0.6
171.11678	0.7
173.02119	10.8
173.13370	0.7
175.14877	1.0
177.05548	0.8
181.12271	0.7
183.11699	0.8
185.13326	0.5
187.07613	0.9
187.14848	0.9
188.04633	0.5
191.03233	0.8
195.11856	0.6
198.06680	0.4
199.14938	0.5
201.16493	0.7
203.07065	2.0
205.05006	0.5
207.13860	0.7
209.13226	0.7
211.14955	0.5
215.03235	1.4
221.13466	0.6
221.15436	1.8
241.08574	0.6
251.06909	0.5
283.09412	3.5
353.10089	1.1
375.24493	0.5
377.21292	0.8
379.07828	6.9
395.21915	5.1
545.35754	0.5
552.51141	0.5
569.21912	0.7
581.70703	0.5
583.27124	1.8
583.41461	0.5
601.27814	100.0
601.43176	3.5
602.28040	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1708
Annotation	Neosappanone A
Peak:m/z	Relative Intensity
53.03936	1.4
53.15090	1.0
57.31846	1.0
65.03938	1.1
67.05497	1.8
69.73550	6.2
70.19437	1.0
77.61330	1.0
79.05502	2.2
81.03377	1.3
81.07064	2.4
84.50084	0.9
91.05509	5.7
93.07060	2.0
95.04967	4.2
95.08650	1.3
103.05454	1.4
105.07024	3.0
107.04952	3.0
109.02950	1.0
109.06534	1.2
109.10184	1.4
115.05435	1.4
117.07046	1.4
119.04936	1.3
119.08565	1.8
121.02810	1.1
121.06499	22.2
121.10186	1.4
123.04402	1.3
129.07007	1.2
131.04945	2.6
133.02855	1.5
135.04442	3.1
135.08022	1.2
137.05988	4.2
139.03839	1.0
145.06508	2.2
147.04411	3.0
147.08102	1.4
147.26347	1.0
149.05988	8.8
151.03911	57.7
151.07516	1.4
153.05472	2.4
157.10147	1.5
159.04460	2.0
161.02325	2.3
161.05994	9.2
162.03140	4.5
163.03888	3.0
165.05487	2.5
167.03435	1.5
171.11717	1.0
173.05975	2.1
175.03938	3.4
175.07565	2.0
177.05475	100.0
178.06140	1.1
178.34784	1.1
183.08054	1.2
185.06010	2.6
187.03955	6.2
189.05460	19.2
190.06268	2.5
191.03438	2.1
193.04948	15.9
201.05479	3.3
203.07036	27.6
205.04971	86.0
206.05605	2.4
209.09784	1.5
211.07558	1.6
213.05551	1.4
213.09099	1.9
214.06311	1.5
215.03461	1.1
217.05066	1.7
222.06898	1.3
227.07129	1.6
229.04933	2.1
229.08643	7.5
241.04982	1.3
241.08563	2.3
243.10194	6.7
259.09723	1.3
265.08478	1.8
271.06137	1.3
277.08798	1.2
283.05975	1.2
285.07602	3.5
292.07239	2.2
293.08014	2.8
299.09012	1.5
304.07645	1.4
305.08023	1.4
313.07074	1.3
319.09552	2.5
320.06674	1.1
321.07629	2.3
335.09082	3.9
335.12646	1.2
337.10480	1.3
339.08606	1.5
341.06494	2.0
347.09308	1.7
349.07028	2.3
351.08630	1.2
353.10202	6.0
354.07285	1.2
359.08310	2.0
363.08572	6.3
363.12457	1.4
365.14053	2.0
369.09729	21.4
377.10202	1.7
379.11993	2.7
381.09760	15.8
382.10516	4.0
391.11923	3.7
399.10760	1.7
419.11029	1.2
423.14352	3.4
449.12430	7.6
453.11853	1.8
467.13474	8.4
505.12946	1.3
537.15216	2.5
539.13721	1.2
551.13422	1.3
553.15027	2.7
555.16431	11.4
557.17932	2.9
565.14978	4.6
571.15833	3.1
573.17578	3.5
583.15973	53.2
601.16980	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26060	1.6
53.03944	2.8
55.01878	3.1
55.05513	8.4
57.06866	1.3
57.07081	15.6
59.04999	4.1
65.03950	1.6
67.05502	10.5
69.03427	8.9
69.07083	8.6
69.27085	9.4
69.27489	4.3
70.06578	1.7
71.08625	2.2
79.05503	17.5
81.07069	26.4
83.04974	6.2
84.60479	1.6
85.02908	2.5
85.06544	6.3
89.06018	5.6
91.05482	29.6
92.05791	2.2
92.06305	2.5
93.07052	38.2
95.04972	12.5
95.08614	23.0
97.06519	5.5
98.21519	3.5
99.28791	1.5
103.05434	2.8
105.04568	1.7
105.07039	46.6
106.07299	2.1
107.04960	3.1
107.08595	28.1
108.08967	2.1
109.06526	15.1
109.10164	12.5
111.04474	1.6
115.05453	4.6
116.06172	1.8
117.07032	13.8
119.04906	3.8
119.08593	56.6
120.08845	1.8
120.09443	1.6
121.06509	7.5
121.10158	22.4
122.07288	3.0
122.10466	2.7
123.08074	21.2
123.11713	3.2
124.08415	1.6
125.05999	11.5
125.09663	2.2
128.06219	6.8
129.07013	11.0
130.07755	5.8
131.08572	28.5
132.09349	1.4
133.06497	6.1
133.08652	3.5
133.10147	23.5
135.08064	18.3
135.11678	10.1
137.05980	3.1
137.09615	15.2
139.07588	5.1
141.07004	6.7
142.07813	12.3
143.08580	25.0
144.09392	8.1
145.06502	4.3
145.10129	44.7
146.10518	4.5
147.08060	31.2
147.11708	8.7
148.08504	3.3
148.12088	1.5
149.09607	11.5
151.07533	12.0
151.11192	1.7
154.07738	1.9
155.08580	9.5
155.10687	2.2
156.09309	6.9
157.10143	34.3
158.10751	6.5
159.08096	7.7
159.11716	25.5
160.08731	2.8
160.12140	4.2
161.09637	13.6
161.13255	6.8
162.10298	1.7
163.11172	18.7
165.07045	3.3
165.09125	54.1
166.07877	1.5
166.09488	5.4
167.03372	2.5
167.08572	4.7
168.09306	5.8
169.10135	19.6
170.10806	4.6
171.08008	2.6
171.11705	19.5
172.08778	2.5
172.12430	4.7
173.09634	10.6
173.13222	8.2
175.11189	18.5
175.14828	2.5
177.05498	3.6
177.09163	4.4
178.09660	2.4
179.08539	3.4
179.10693	1.8
180.09286	2.5
180.11459	3.3
181.10124	7.3
181.12228	16.4
182.10927	3.8
183.08089	2.2
183.11694	14.3
184.12390	3.4
185.09659	3.3
185.13310	11.0
186.10515	2.0
186.13699	1.8
187.11212	9.8
187.14787	5.7
188.12044	1.4
189.05420	1.8
189.09167	2.2
189.12769	10.2
190.13542	9.1
191.10660	7.4
192.09372	2.2
192.11131	1.6
193.05035	2.8
193.10149	5.4
193.12227	10.4
194.10840	4.0
195.11678	11.5
195.13629	3.2
196.12325	3.4
197.09679	3.7
197.13214	15.3
198.10199	1.9
198.13885	2.5
199.11159	6.1
199.14885	3.1
201.09114	3.0
201.12781	8.2
201.16397	4.7
202.16667	1.6
203.07069	15.6
203.10617	1.9
203.14331	21.6
204.03860	1.4
204.07422	6.1
204.14716	3.4
207.11685	5.5
207.13832	11.4
208.12695	2.6
208.14500	8.6
209.09601	2.4
209.13347	7.7
209.15204	2.4
210.13789	2.6
211.11200	5.5
211.14865	8.9
212.15430	2.5
213.12730	5.0
213.16368	1.8
215.10701	2.8
215.14355	2.7
216.14949	1.9
219.11739	3.3
219.13826	7.6
220.12381	2.9
221.13327	5.9
221.15367	100.0
222.15775	18.9
223.11151	3.9
223.14792	3.7
224.15329	1.7
225.12747	3.3
225.16408	4.1
226.13747	2.4
227.14384	3.6
229.12115	2.1
229.15886	3.2
230.12878	2.2
233.13297	3.8
233.15387	3.7
234.14006	2.5
234.16138	15.6
235.14766	5.1
235.16913	2.6
237.12735	5.0
237.16388	4.6
238.17143	1.7
239.14497	3.2
240.14948	1.8
240.18788	1.6
241.15829	2.7
243.10196	12.3
243.13936	2.7
244.10481	8.6
246.14040	1.7
247.14629	1.3
247.16959	26.7
248.17461	4.9
249.16425	2.1
251.18042	3.1
253.16045	3.1
255.17548	2.5
257.15530	2.2
259.17047	3.0
260.17551	1.8
261.11197	4.5
262.11569	2.5
265.15735	2.8
267.17444	1.7
269.15427	3.3
271.16974	3.3
274.19281	11.9
279.17392	4.1
281.18994	3.7
283.26251	5.0
285.18530	2.7
286.19278	3.5
287.20081	10.7
293.19150	2.3
294.19534	2.7
299.17548	1.7
299.20197	15.7
300.20877	3.3
307.20480	3.3
309.18216	2.1
311.20059	7.1
312.20792	11.1
313.21552	8.1
325.21671	13.9
327.23196	3.5
337.21643	4.4
339.19559	2.1
339.23178	6.3
340.19934	5.7
340.24017	14.5
344.31570	2.3
351.23257	1.9
352.23959	30.3
353.24661	2.6
365.24704	7.5
366.25354	2.5
377.24707	2.7
379.26395	4.1
380.12045	3.6
387.25208	5.4
391.26297	4.7
392.26990	3.4
400.25937	2.7
413.26868	4.4
419.29462	9.4
420.29816	4.5
425.26831	6.7
426.27451	2.6
427.28534	13.9
428.28915	3.0
440.29276	34.1
442.30621	4.1
507.34879	3.1
508.34995	10.4
520.35583	33.0
521.36420	3.2
582.29913	8.4
585.39282	5.4
600.30432	5.1
600.41217	38.0
600.55731	12.4
628.97382	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.0
55.05504	19.6
56.95708	3.1
57.07066	15.0
59.04994	7.3
65.03937	6.3
66.80862	3.5
67.05506	27.4
68.96366	3.1
69.03432	18.0
69.07076	24.8
71.05016	4.8
71.58462	3.4
71.58877	4.0
79.05499	37.3
80.25560	3.0
81.03420	5.3
81.07059	40.4
83.04962	12.4
83.05952	3.3
83.08601	16.3
85.06550	9.8
85.07642	5.3
87.09216	26.5
89.06035	9.6
91.05487	58.1
93.07050	69.4
94.07383	3.5
95.04985	24.9
95.08621	39.1
97.06535	12.0
104.22708	3.2
105.07036	99.1
106.07293	3.9
107.08598	59.1
108.08909	3.6
109.06524	21.9
109.10152	27.0
111.08095	5.9
115.05455	13.6
117.07027	21.3
119.07783	6.4
119.08587	94.9
120.08862	3.8
121.06496	15.3
121.10156	50.8
123.08087	29.6
123.11682	5.5
125.05981	4.5
125.09644	6.8
128.06201	17.0
129.07014	21.2
130.07819	8.3
131.08575	48.3
132.09325	4.2
133.06500	10.1
133.08607	8.8
133.10133	43.0
135.08063	31.7
135.11691	15.5
137.05988	6.9
137.09613	16.7
139.07503	5.6
141.06970	7.4
142.07820	28.6
143.08582	56.0
144.09311	12.5
145.06476	9.2
145.10130	63.2
146.09293	3.2
146.10495	4.8
147.08043	35.6
147.11665	12.9
149.09601	15.6
151.07538	20.2
153.06987	6.1
154.07642	5.5
155.08575	19.8
156.09340	18.0
157.10141	61.3
158.10886	5.8
159.08031	21.5
159.11697	37.7
160.08844	5.1
161.09615	21.8
161.13255	9.1
163.11218	18.4
165.07011	9.9
165.09125	49.1
166.07784	4.3
167.08511	8.3
167.10736	14.5
168.09323	10.3
169.10127	26.5
170.10880	12.2
171.08075	4.7
171.11685	35.7
172.08873	4.6
172.12395	8.6
173.09679	14.8
173.13269	16.9
175.11169	23.0
175.14883	6.3
177.05499	3.7
177.09055	7.0
177.12675	3.7
178.07637	3.3
179.08585	11.8
179.10660	5.3
180.09390	3.5
181.08722	4.6
181.10121	25.1
181.12234	11.7
182.10799	5.9
183.07935	3.7
183.11679	24.6
184.12384	5.4
185.09625	9.4
185.13260	24.3
187.11182	10.9
187.14803	7.5
189.12816	16.8
190.13551	10.2
191.14421	5.3
192.09367	4.6
193.10181	16.5
193.12218	12.3
194.11014	8.9
195.11748	20.2
195.13535	4.5
196.12387	12.1
197.09622	6.2
197.11676	6.1
197.13277	23.1
199.11169	12.2
199.14803	8.4
201.12703	7.0
203.07040	23.4
203.14330	27.2
204.07458	8.5
205.10103	3.9
206.10912	6.3
207.11703	17.1
207.13824	16.6
208.12457	8.1
208.14531	9.0
209.13316	21.8
209.15070	4.4
210.10416	3.6
210.13889	7.7
211.14856	17.1
213.09187	3.6
213.12746	13.3
215.14238	6.0
218.10803	3.4
219.11647	9.6
219.13759	4.1
221.13271	10.8
221.15337	94.5
221.17538	4.8
222.15857	4.1
223.14777	9.7
225.12711	9.1
225.16422	5.0
227.14354	4.0
233.04581	3.9
233.13258	7.7
233.15376	27.1
234.13940	5.8
234.16078	13.6
235.14778	9.0
237.12666	4.5
237.14668	30.4
239.14394	5.8
239.18161	3.8
241.15695	3.4
243.10161	5.7
247.14902	5.8
247.16998	11.6
248.14064	12.7
249.12657	3.6
249.16368	6.2
253.15648	6.3
255.17474	22.3
259.14691	4.6
261.16257	7.1
265.25406	5.9
267.17465	4.5
269.08087	4.8
270.19656	7.4
271.17010	8.3
274.19257	14.7
279.17484	9.2
281.18906	6.5
285.18576	4.0
286.19180	15.1
287.20087	9.9
294.19708	9.6
299.20099	11.9
303.19550	53.5
311.20047	5.3
313.21765	16.3
325.21631	11.1
337.21545	13.9
339.28909	8.0
352.24023	100.0
365.24811	19.8
377.24814	6.5
379.11423	4.7
380.15622	7.1
383.25842	5.1
487.31860	6.0
502.34241	14.7
503.35052	6.8
507.34555	9.9
508.34811	12.5
520.35559	41.6
554.29596	8.2
567.37457	4.4
582.28949	7.4
582.39954	6.4
600.31787	9.2
600.41235	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.9
55.05507	7.9
57.07077	13.4
59.04993	4.0
63.91281	2.3
65.03923	3.3
67.05505	16.0
69.03439	12.5
69.07063	10.6
70.06590	3.0
71.02508	4.8
79.05495	20.1
81.07057	25.5
82.07374	2.7
83.04979	7.9
83.08607	4.3
85.02911	5.0
85.06535	7.5
89.06025	8.8
91.05477	36.1
92.05804	3.1
93.07055	40.0
94.07407	3.1
95.04955	10.6
95.08607	28.0
96.08955	2.2
97.06544	5.2
103.05492	3.7
105.06374	4.6
105.07039	62.6
106.07342	2.9
107.08597	34.6
108.08895	2.9
109.06530	12.2
109.10172	14.9
111.08072	3.7
115.01812	2.5
115.05470	4.2
117.07045	17.8
119.08583	64.6
121.06501	10.1
121.10162	28.2
122.10483	2.8
123.08064	22.5
125.05975	8.2
125.09658	2.4
128.06268	7.1
129.07039	12.9
130.07750	3.8
131.08574	29.7
133.06517	4.2
133.08635	5.5
133.10120	24.5
134.10518	3.0
135.08086	19.5
135.11693	7.2
137.06003	4.4
137.09628	16.3
139.07588	2.8
141.06976	8.1
142.07828	13.0
143.08572	30.4
144.09305	4.9
145.06468	5.9
145.10135	48.2
146.10794	2.3
147.08052	30.1
147.11702	11.1
149.09630	9.8
151.07549	16.5
155.08546	14.6
156.09419	14.3
157.10150	43.8
158.10829	8.7
159.08034	6.0
159.11703	30.7
160.08885	2.9
161.05998	3.5
161.09662	12.7
161.13251	9.7
163.11174	22.1
165.06958	5.0
165.09103	48.5
167.08499	5.7
168.09328	4.1
169.10136	15.0
170.10855	5.5
171.08125	4.2
171.11729	20.2
172.12360	3.7
173.05951	4.3
173.09596	9.1
173.13289	10.2
175.11198	22.2
175.14864	4.6
177.05420	3.0
177.09085	7.2
179.08588	6.0
179.10689	3.9
180.09395	2.8
180.11357	3.2
181.10130	7.7
181.12236	20.4
182.10881	7.5
183.11707	14.0
184.12074	3.0
185.09540	3.5
185.13251	11.0
186.13789	2.7
187.11218	5.6
187.14870	8.1
189.12721	10.2
190.13574	12.6
191.10689	6.9
191.14392	2.9
193.10204	6.6
193.12251	18.0
194.10808	5.8
195.11754	13.5
196.12396	8.1
197.09648	5.6
197.13161	12.6
198.10263	3.1
199.11177	4.7
199.14862	5.7
199.71819	2.6
201.09125	3.3
201.12750	7.1
201.16382	7.0
203.07051	16.4
203.14337	20.3
204.07452	6.4
206.10834	5.4
207.11807	5.9
207.13838	11.2
208.12413	4.4
208.14546	8.6
209.13283	11.4
209.15250	3.2
210.14059	4.9
211.11163	7.6
211.14809	12.0
212.15466	3.0
213.12816	4.9
213.16461	3.2
215.14328	3.9
219.11743	3.5
219.13821	8.9
220.12514	3.9
221.13318	7.9
221.15358	100.0
222.15721	13.6
223.14810	5.8
225.09195	2.4
225.12746	5.7
225.16362	4.4
227.14450	3.9
229.15842	5.1
233.13283	3.9
233.15363	4.4
234.14009	5.1
234.16174	16.5
235.14749	5.1
237.12772	6.5
237.16292	4.8
239.14426	3.6
241.15947	2.9
243.10168	23.8
243.14012	2.8
244.10461	11.8
247.16934	23.5
248.17389	4.4
249.16309	3.6
251.14380	2.9
255.17384	3.0
259.16968	5.2
261.11301	4.8
261.16241	3.9
262.11554	7.4
263.18158	3.0
265.15918	2.8
271.16956	6.1
274.19287	10.6
278.16473	2.5
279.17398	5.1
281.18820	4.1
283.26248	3.3
286.19318	4.8
287.20139	14.8
299.20093	15.1
300.20889	2.8
305.07996	2.9
308.17392	2.8
309.18362	2.5
311.20026	7.9
312.20627	12.9
313.21616	7.5
325.21588	14.0
337.21552	5.0
339.19431	3.3
339.23126	3.3
340.19788	7.2
340.23984	11.1
352.24002	58.3
359.23407	2.8
365.24777	10.3
379.11633	2.9
380.12112	4.5
391.26465	5.8
396.15277	3.7
413.26566	2.8
419.29715	4.8
420.30402	6.0
425.26816	3.1
427.28220	6.0
440.29260	26.5
442.30438	2.9
454.30487	3.1
505.32825	3.1
507.34848	5.5
508.35162	16.4
520.35449	48.1
521.36298	2.8
582.29156	9.5
600.31464	4.5
600.41473	36.7
600.56012	13.2
618.52008	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
53.21355	1.6
55.05506	8.7
57.07086	12.1
59.04991	2.9
65.03954	3.2
66.24815	1.7
67.05504	17.7
69.03429	10.0
69.07064	11.7
69.25943	15.5
69.26355	2.8
72.58586	1.7
79.05501	16.5
81.03409	3.2
81.07065	29.9
82.07391	2.2
83.04964	5.8
83.08617	2.0
85.06547	4.6
89.06010	7.8
91.05486	36.6
92.05785	1.9
93.07045	34.3
94.07353	2.1
95.04979	11.6
95.08616	23.9
96.08934	2.0
97.06531	5.5
98.20675	4.2
103.05483	1.8
104.26026	1.6
105.07037	57.1
106.07350	3.6
107.04936	2.4
107.08599	28.7
109.06535	10.2
109.10139	9.9
115.05481	2.9
117.07034	16.6
119.04975	2.2
119.06155	1.7
119.08590	64.8
120.08868	3.6
121.06516	8.1
121.10131	23.9
123.08080	15.1
123.11735	2.6
125.05975	10.7
128.06207	6.6
129.07074	9.6
130.07819	4.4
131.08580	28.3
133.06500	6.5
133.08580	4.4
133.10127	20.0
135.08061	23.9
135.11699	7.7
137.06000	3.8
137.09645	18.6
138.94946	1.8
139.07516	3.6
141.06981	4.4
142.07793	12.0
143.08591	24.6
144.09306	5.4
145.06462	4.9
145.10132	47.2
147.08064	30.1
147.11699	13.7
148.08420	4.0
148.12004	2.3
149.09607	13.3
149.13232	2.8
151.07516	13.9
151.11166	2.4
154.07820	2.1
155.08583	11.0
156.09297	10.9
157.10141	37.1
158.07210	3.0
158.10835	7.2
159.08066	8.3
159.11707	28.7
161.02393	2.1
161.05952	3.2
161.09642	9.4
161.13261	8.3
163.11203	20.0
165.06982	3.8
165.09117	52.0
166.09474	6.2
167.08575	5.4
168.09438	2.7
169.10095	14.7
170.10805	5.1
171.08109	3.9
171.11642	18.6
172.12390	5.5
173.09625	10.2
173.13272	10.6
174.10231	2.1
175.11205	19.4
175.14792	3.3
177.05524	5.1
177.09175	4.0
177.11188	2.7
177.12692	2.7
179.08618	3.6
180.11473	2.5
181.10086	9.5
181.12248	22.5
183.11713	16.9
184.12334	2.9
185.09612	4.6
185.13353	9.8
186.13901	2.9
187.11189	7.7
187.14789	4.5
189.09106	2.6
189.12808	10.5
190.13507	9.7
191.10706	5.9
191.14388	2.4
193.05040	2.3
193.10327	3.9
193.12248	13.7
194.10831	2.5
195.11700	9.9
195.13635	1.9
196.12241	2.4
197.09648	2.9
197.13239	12.3
198.10402	2.3
198.13756	2.9
199.11168	7.5
199.14891	3.3
201.12723	7.9
203.07037	26.0
203.10408	1.8
203.14291	22.7
203.17903	11.7
204.07385	10.6
204.14763	2.1
204.18301	7.1
207.11839	4.2
207.13797	11.9
208.12563	4.2
208.14583	12.5
209.13280	7.0
211.11188	2.1
211.14815	8.5
212.15329	2.6
213.12772	4.4
215.14322	2.8
216.15161	2.1
219.11758	3.4
219.13863	6.4
221.13512	4.3
221.15381	100.0
221.17554	4.8
222.15663	10.3
223.14862	4.1
225.12732	6.0
225.16360	2.4
227.14275	4.3
228.85127	2.4
229.08571	5.2
229.12312	3.0
229.15903	3.2
230.08852	3.3
233.13347	3.1
233.15410	6.8
234.16164	21.1
235.14874	4.2
237.12749	4.2
237.16385	3.0
239.14386	3.5
241.15865	4.5
243.10117	5.1
243.13899	2.6
244.10478	2.4
245.15520	2.7
247.16953	26.2
248.17580	3.9
249.16313	2.4
251.14366	2.8
259.16846	10.3
260.17130	7.0
261.18588	2.7
263.17914	2.8
269.15479	2.6
271.17142	3.1
274.19351	13.1
279.17300	3.0
281.18881	3.5
283.17136	1.9
285.18567	3.3
286.19144	5.0
287.20099	10.7
297.18466	5.0
299.20081	18.3
300.20602	3.5
307.20490	2.5
311.19977	6.3
312.20859	8.0
313.21606	8.7
325.21689	15.6
326.22678	2.5
327.23297	4.2
337.21445	4.3
339.23306	5.8
340.24042	15.8
345.14716	2.4
352.23935	28.1
361.14072	2.8
363.70898	2.2
364.16193	3.3
365.24780	5.2
366.25394	4.2
379.26315	5.2
380.15903	4.2
387.25146	6.9
391.26193	5.1
392.26688	3.3
400.26236	3.2
413.26797	5.6
415.25406	2.2
419.29419	11.8
420.29871	3.6
425.26880	7.0
426.27585	5.0
427.28339	13.2
428.28958	2.5
440.29257	40.2
454.30362	3.0
493.32681	2.0
507.34998	2.2
508.35339	7.9
520.27704	2.3
520.35516	31.5
521.35822	2.2
554.28906	2.1
582.29242	2.9
582.40540	3.4
583.30579	2.0
585.39148	4.5
600.30444	10.2
600.41248	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01880	5.1
55.05501	18.9
57.07063	18.4
65.03940	7.0
67.05499	31.6
69.03431	14.6
69.07068	26.3
71.05009	7.7
79.05495	39.0
81.07067	45.3
83.04982	13.8
83.08612	11.2
85.06548	7.1
87.09216	7.4
89.06029	12.9
91.05485	57.8
93.07044	67.4
95.04961	21.2
95.08604	41.8
97.06509	11.6
97.10183	5.6
98.21513	9.4
103.05439	6.2
105.07033	100.0
106.07376	5.8
107.04962	8.7
107.08604	74.5
109.06524	18.8
109.10177	32.5
111.08077	7.9
115.05460	7.5
117.07027	26.4
119.04898	6.6
119.07780	6.8
119.08582	83.2
121.06511	17.5
121.10155	57.6
122.07066	3.8
123.08068	29.3
123.11730	9.2
125.09621	7.6
128.06226	15.2
129.07022	28.9
130.07790	7.7
131.04959	5.0
131.08568	39.0
133.06453	5.0
133.08615	9.4
133.10141	52.0
135.08095	27.6
135.11687	16.1
137.09616	16.8
141.07011	9.5
142.07820	29.5
143.08574	49.6
144.09251	7.9
145.06517	5.9
145.10129	81.1
147.04482	4.5
147.08037	30.0
147.11649	19.5
149.09608	17.5
151.07535	14.8
153.06996	6.4
154.07756	6.2
155.08574	22.8
155.10692	5.1
156.09378	21.0
157.10126	66.5
158.10753	7.3
159.08096	15.8
159.11725	33.2
161.06001	5.0
161.09630	20.3
161.13242	11.6
163.11174	18.8
165.06950	7.0
165.09126	37.2
167.08603	5.3
167.10719	12.2
168.09369	8.2
169.10118	23.3
170.10901	8.9
171.08124	5.1
171.11714	47.6
172.12369	12.7
173.09653	7.1
173.13280	22.7
175.11186	25.1
175.14914	8.5
177.05482	22.5
177.09079	4.7
178.05814	5.9
179.08549	12.1
181.10114	16.5
181.12247	7.2
182.10838	12.5
183.11693	28.3
184.12329	5.0
185.05792	4.1
185.09650	8.4
185.13310	22.5
187.11218	11.6
187.14795	10.0
189.09097	5.0
189.12724	14.0
190.13556	9.1
191.14249	5.9
193.10127	14.6
193.12175	8.8
194.10831	9.1
195.11699	27.5
195.13379	5.6
196.12398	9.8
197.13258	22.4
198.10451	6.2
199.11159	6.9
199.14870	10.4
201.12779	9.9
203.07059	47.6
203.14360	24.8
204.07390	27.6
205.04868	5.5
206.11035	6.9
207.11678	17.6
207.13745	10.4
208.12547	10.2
209.13258	23.6
209.15208	7.2
211.11276	7.6
211.14833	16.1
212.15500	5.7
213.12738	13.8
213.16405	7.7
217.12146	5.2
219.11659	6.1
219.13742	5.7
220.12439	6.0
221.13300	13.0
221.15329	62.6
223.11235	5.2
223.14786	16.7
225.12701	7.8
225.16393	12.2
227.14349	9.0
231.11690	4.8
233.13364	7.0
233.15395	22.8
234.16142	8.7
235.14767	12.6
237.14592	21.2
241.15938	8.0
242.09058	5.6
243.10136	11.9
244.10344	5.6
247.14789	7.9
248.13913	6.3
249.16350	6.9
251.18111	5.1
253.15851	5.7
253.19690	4.8
255.17465	24.2
261.16299	8.2
263.18005	6.5
267.21649	4.5
269.15887	4.7
269.19009	6.5
270.19693	6.0
271.17014	5.6
274.19254	12.4
285.18585	9.9
286.19342	6.4
287.19943	6.1
289.19431	5.1
294.19604	6.6
295.20605	8.5
297.18353	6.7
299.20154	11.0
303.19632	40.1
313.21603	16.3
325.21542	8.5
333.49716	4.4
337.21548	6.4
352.24048	61.8
365.24722	13.8
380.11920	9.5
383.25629	7.3
502.34283	8.7
503.35312	9.0
505.33279	5.1
507.34662	7.3
508.35168	5.2
520.35419	26.9
582.29559	23.0
600.30878	25.3
600.41089	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.0
55.05504	19.6
56.95708	3.1
57.07066	15.0
59.04994	7.3
65.03937	6.3
66.80862	3.5
67.05506	27.4
68.96366	3.1
69.03432	18.0
69.07076	24.8
71.05016	4.8
71.58462	3.4
71.58877	4.0
79.05499	37.3
80.25560	3.0
81.03420	5.3
81.07059	40.4
83.04962	12.4
83.05952	3.3
83.08601	16.3
85.06550	9.8
85.07642	5.3
87.09216	26.5
89.06035	9.6
91.05487	58.1
93.07050	69.4
94.07383	3.5
95.04985	24.9
95.08621	39.1
97.06535	12.0
104.22708	3.2
105.07036	99.1
106.07293	3.9
107.08598	59.1
108.08909	3.6
109.06524	21.9
109.10152	27.0
111.08095	5.9
115.05455	13.6
117.07027	21.3
119.07783	6.4
119.08587	94.9
120.08862	3.8
121.06496	15.3
121.10156	50.8
123.08087	29.6
123.11682	5.5
125.05981	4.5
125.09644	6.8
128.06201	17.0
129.07014	21.2
130.07819	8.3
131.08575	48.3
132.09325	4.2
133.06500	10.1
133.08607	8.8
133.10133	43.0
135.08063	31.7
135.11691	15.5
137.05988	6.9
137.09613	16.7
139.07503	5.6
141.06970	7.4
142.07820	28.6
143.08582	56.0
144.09311	12.5
145.06476	9.2
145.10130	63.2
146.09293	3.2
146.10495	4.8
147.08043	35.6
147.11665	12.9
149.09601	15.6
151.07538	20.2
153.06987	6.1
154.07642	5.5
155.08575	19.8
156.09340	18.0
157.10141	61.3
158.10886	5.8
159.08031	21.5
159.11697	37.7
160.08844	5.1
161.09615	21.8
161.13255	9.1
163.11218	18.4
165.07011	9.9
165.09125	49.1
166.07784	4.3
167.08511	8.3
167.10736	14.5
168.09323	10.3
169.10127	26.5
170.10880	12.2
171.08075	4.7
171.11685	35.7
172.08873	4.6
172.12395	8.6
173.09679	14.8
173.13269	16.9
175.11169	23.0
175.14883	6.3
177.05499	3.7
177.09055	7.0
177.12675	3.7
178.07637	3.3
179.08585	11.8
179.10660	5.3
180.09390	3.5
181.08722	4.6
181.10121	25.1
181.12234	11.7
182.10799	5.9
183.07935	3.7
183.11679	24.6
184.12384	5.4
185.09625	9.4
185.13260	24.3
187.11182	10.9
187.14803	7.5
189.12816	16.8
190.13551	10.2
191.14421	5.3
192.09367	4.6
193.10181	16.5
193.12218	12.3
194.11014	8.9
195.11748	20.2
195.13535	4.5
196.12387	12.1
197.09622	6.2
197.11676	6.1
197.13277	23.1
199.11169	12.2
199.14803	8.4
201.12703	7.0
203.07040	23.4
203.14330	27.2
204.07458	8.5
205.10103	3.9
206.10912	6.3
207.11703	17.1
207.13824	16.6
208.12457	8.1
208.14531	9.0
209.13316	21.8
209.15070	4.4
210.10416	3.6
210.13889	7.7
211.14856	17.1
213.09187	3.6
213.12746	13.3
215.14238	6.0
218.10803	3.4
219.11647	9.6
219.13759	4.1
221.13271	10.8
221.15337	94.5
221.17538	4.8
222.15857	4.1
223.14777	9.7
225.12711	9.1
225.16422	5.0
227.14354	4.0
233.04581	3.9
233.13258	7.7
233.15376	27.1
234.13940	5.8
234.16078	13.6
235.14778	9.0
237.12666	4.5
237.14668	30.4
239.14394	5.8
239.18161	3.8
241.15695	3.4
243.10161	5.7
247.14902	5.8
247.16998	11.6
248.14064	12.7
249.12657	3.6
249.16368	6.2
253.15648	6.3
255.17474	22.3
259.14691	4.6
261.16257	7.1
265.25406	5.9
267.17465	4.5
269.08087	4.8
270.19656	7.4
271.17010	8.3
274.19257	14.7
279.17484	9.2
281.18906	6.5
285.18576	4.0
286.19180	15.1
287.20087	9.9
294.19708	9.6
299.20099	11.9
303.19550	53.5
311.20047	5.3
313.21765	16.3
325.21631	11.1
337.21545	13.9
339.28909	8.0
352.24023	100.0
365.24811	19.8
377.24814	6.5
379.11423	4.7
380.15622	7.1
383.25842	5.1
487.31860	6.0
502.34241	14.7
503.35052	6.8
507.34555	9.9
508.34811	12.5
520.35559	41.6
554.29596	8.2
567.37457	4.4
582.28949	7.4
582.39954	6.4
600.31787	9.2
600.41235	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.0
57.07068	20.2
59.04999	6.0
67.05529	23.6
69.03450	13.1
69.07069	14.4
69.49069	14.6
69.49502	24.2
70.06599	8.4
79.05492	22.8
79.16724	5.0
81.07069	41.1
83.04999	8.5
83.08623	9.7
85.02882	7.2
85.06546	7.2
89.06042	27.3
91.05489	45.3
92.05786	5.5
93.07058	45.7
95.04972	13.0
95.08619	35.0
97.06538	9.2
98.20612	5.3
98.21204	19.8
103.05469	6.5
105.07040	67.7
107.08599	35.3
109.06523	16.1
109.10157	14.9
116.77086	4.6
117.07011	21.5
119.08591	68.3
121.06521	8.1
121.10121	43.8
122.07277	5.8
123.08089	27.1
123.11723	5.2
125.05988	9.1
128.06255	7.2
129.07027	13.5
131.08607	30.1
133.06528	7.7
133.08592	12.6
133.10121	32.0
134.26913	4.8
135.08054	22.0
135.11708	9.5
137.05984	5.8
137.09619	14.3
141.07021	10.7
142.07802	14.0
143.08586	39.6
145.06561	8.3
145.10139	51.5
147.08049	28.1
147.11694	9.4
149.09651	14.5
151.07574	11.1
155.08522	15.5
156.09319	14.7
157.06505	5.3
157.10176	52.4
158.10825	8.3
159.08101	11.4
159.11678	32.1
160.08807	15.4
161.09604	14.3
161.13319	7.6
163.11226	21.2
165.09134	54.8
169.10100	20.0
170.10847	7.9
171.11662	17.3
172.26491	4.6
173.09572	10.9
173.13280	12.8
175.11176	21.8
175.14801	6.7
177.05542	4.7
177.11290	6.1
177.12679	6.0
181.10088	12.6
181.12270	17.4
182.10858	6.8
183.11647	23.3
184.12398	4.9
185.09599	8.4
185.13281	20.8
187.11191	5.6
189.09232	5.0
189.12766	6.9
190.13452	7.5
193.10141	4.8
193.12230	11.2
195.11728	15.4
196.12329	4.9
197.13268	12.6
199.11194	8.3
199.14848	7.5
201.12851	6.3
201.16325	6.7
203.07060	31.6
203.14346	21.6
204.07356	12.5
207.11670	9.6
207.13812	7.4
208.14574	9.4
209.13261	8.0
211.14806	16.0
219.13747	7.6
221.13376	10.9
221.15401	100.0
222.15723	16.5
223.14818	8.0
225.12769	10.3
229.15862	6.0
234.16103	20.9
235.14674	6.8
243.10081	14.5
244.10513	11.3
247.16820	27.7
251.17810	6.8
261.16199	7.0
274.19360	13.0
274.73639	5.5
278.07715	6.0
283.26279	14.0
286.19278	6.7
287.20068	19.1
299.20029	17.3
311.19974	5.7
312.20590	8.8
325.21646	11.9
337.21484	6.9
339.19150	6.1
340.19901	6.2
340.23996	7.7
352.23947	38.1
358.84076	5.0
366.25488	5.5
379.11240	6.2
392.26791	6.4
413.26968	6.6
419.29315	10.6
427.28290	9.4
440.29205	27.4
508.35297	11.4
520.35352	36.3
582.29309	11.5
600.30591	13.0
600.41156	42.3
600.55737	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	599.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
53.08707	1.4
55.05510	7.9
56.96565	1.6
57.07078	9.3
59.04996	4.4
65.03940	2.9
66.42609	1.3
67.05508	19.6
69.03427	11.4
69.07065	11.6
69.55396	1.4
70.60530	1.4
71.05003	2.9
71.58538	2.1
79.05488	18.8
81.07053	26.6
83.04995	9.3
83.08623	6.6
85.02882	2.0
85.06554	5.2
86.20135	1.6
91.05479	30.5
91.06000	2.3
93.07051	33.0
95.04967	14.5
95.08607	19.7
97.06526	5.8
103.05480	3.9
103.22748	1.3
105.03425	2.7
105.07034	48.5
105.91759	1.5
107.04975	3.9
107.08597	32.9
107.09282	2.3
109.06519	13.9
109.10155	11.1
111.04469	2.7
111.08081	3.4
115.05480	5.7
116.06291	1.8
117.07011	13.8
119.08582	41.1
121.06514	13.0
121.10143	35.3
123.04454	1.5
123.08067	13.8
123.11726	5.1
125.06002	2.5
125.09612	8.9
128.06247	7.3
129.07007	13.1
130.07793	5.3
131.08569	24.8
133.06535	5.4
133.10130	26.4
133.11052	1.9
135.08064	15.0
135.11728	9.7
137.05995	6.0
137.09572	8.2
139.07552	2.9
139.11229	2.3
141.07021	5.0
142.07793	11.5
143.08562	27.5
144.09383	6.5
145.06540	2.7
145.10118	31.7
147.08052	19.5
147.11717	7.0
149.02298	1.4
149.09645	16.0
149.13148	2.5
151.03928	3.6
151.07535	14.3
151.11115	1.9
151.84967	1.6
153.05412	1.6
153.07050	3.7
153.09071	2.2
154.07869	1.7
155.08554	11.0
156.09360	12.6
157.10127	34.4
158.07335	2.1
158.10846	3.9
159.08061	11.8
159.11690	18.1
161.09657	9.0
161.13275	5.5
163.11177	9.4
165.07039	5.3
165.09114	23.2
166.07822	2.7
167.08588	5.4
167.10684	16.5
168.09413	4.2
169.10149	19.1
170.10938	5.3
171.08160	1.7
171.11685	19.5
172.08870	2.3
172.12642	2.2
173.09622	7.9
173.13280	12.0
175.11201	10.2
175.14812	3.2
177.09146	3.2
179.08598	5.9
180.09363	3.0
181.06511	1.6
181.10115	10.0
181.12251	5.2
182.10995	6.3
183.08188	2.4
183.11711	16.5
184.12540	3.3
185.09680	5.2
185.13281	10.3
187.11165	7.1
187.14871	3.6
189.12682	8.4
191.10886	1.8
191.14349	2.9
192.09366	3.1
193.10185	5.8
193.12195	3.2
194.10963	4.2
195.11717	13.6
196.12524	3.3
197.09633	2.9
197.13243	13.3
199.11209	4.2
199.14909	4.6
201.12820	4.6
201.16458	3.2
203.07072	6.6
203.14314	10.6
205.10211	2.1
206.10963	4.5
207.11757	11.6
207.13864	10.3
208.12563	5.4
209.13318	12.3
209.15343	4.8
210.14049	3.1
211.11325	3.0
211.14900	5.8
213.09059	1.9
213.12872	4.2
213.16455	2.2
215.14319	4.2
217.10226	2.8
219.11784	3.1
220.12505	2.8
221.13303	7.9
221.15332	44.1
223.11227	2.6
223.14809	8.5
225.12839	5.0
225.16505	4.1
227.14377	2.4
229.10226	2.3
229.12271	3.5
230.10933	1.8
231.11736	3.4
232.12434	2.8
233.13275	4.6
233.15349	36.0
234.14352	1.7
235.14896	7.2
237.12805	3.4
237.14728	2.8
237.16730	3.3
239.10602	1.6
239.14340	2.3
241.15987	1.8
243.01894	2.6
244.12582	2.6
245.13351	2.7
247.14870	5.7
247.17107	2.7
249.12688	1.9
249.16437	3.4
251.18050	2.0
253.19386	1.8
255.06512	2.1
257.13123	2.3
259.14731	2.4
259.17068	2.5
260.15750	2.2
261.16434	2.5
263.17963	3.5
265.15936	2.8
265.19553	1.7
269.19193	2.5
271.17178	3.3
273.18716	2.7
281.19083	9.5
283.06073	1.9
285.07660	6.7
285.10791	1.7
285.18756	2.1
286.19476	4.3
287.20175	3.4
289.19547	1.8
291.21173	2.3
295.20639	2.4
299.20111	4.6
311.20303	2.1
312.20944	2.3
313.07129	5.6
315.08670	3.3
333.22260	1.9
345.05884	2.0
347.50128	1.8
349.21820	2.5
351.23343	2.5
364.24081	4.0
365.24792	3.1
373.25549	2.5
377.24939	3.9
391.26495	3.9
415.28323	2.3
441.30133	4.4
489.33945	4.5
493.33658	2.1
504.89890	1.6
507.34729	78.7
508.35172	1.7
514.46930	1.8
542.21466	1.6
559.20532	1.8
581.14789	2.1
581.39874	6.7
599.20520	9.7
599.33234	3.7
599.41125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79805	0.8
53.03945	1.9
53.90144	0.9
55.01858	1.2
55.05516	4.1
57.07076	8.3
59.04992	2.5
64.93742	0.9
65.03954	1.6
67.05508	8.8
68.01148	1.0
69.03425	6.9
69.07071	4.9
70.02567	1.8
70.02985	2.7
71.05019	1.1
77.03901	1.1
77.49959	0.8
79.05499	11.3
81.07059	14.1
83.04984	3.6
83.08617	1.8
85.06544	3.6
88.68063	0.9
91.05484	17.1
93.07053	21.3
95.04979	7.4
95.08611	13.4
97.06543	4.1
103.05486	1.9
105.07032	32.7
107.04948	1.7
107.08588	15.0
109.06519	5.8
109.10159	5.8
111.08093	1.6
115.05475	2.7
117.07021	7.7
119.08587	32.6
121.06514	7.0
121.10140	16.7
122.07217	1.0
123.08086	12.4
123.11729	1.8
125.06004	2.7
125.09737	1.0
128.06242	3.1
129.07025	5.3
130.07773	1.9
131.08571	10.7
133.06564	1.9
133.10138	13.7
135.08061	12.4
135.11685	5.3
137.05992	1.5
137.09619	12.2
139.07568	2.4
141.07021	3.2
142.07782	7.4
143.08556	11.4
144.09355	2.3
145.06523	1.4
145.10141	18.1
147.08047	26.7
147.11717	4.0
149.09625	3.8
151.07561	12.2
151.11180	2.2
153.07030	1.3
153.09090	1.2
154.07722	1.3
155.08539	7.1
156.09344	5.4
157.06531	1.5
157.10143	20.0
158.10921	1.7
159.08043	4.2
159.11694	12.3
160.08835	0.8
161.09686	5.1
161.13275	5.7
163.11191	7.7
165.07001	2.0
165.09117	48.8
166.07878	1.3
167.08583	1.9
167.10712	4.0
168.09381	2.6
169.10161	8.8
170.10902	2.9
171.08049	1.5
171.11711	10.6
172.08913	1.0
173.09663	4.9
173.13249	4.0
174.10400	0.9
175.11226	3.7
175.14786	1.3
177.09090	2.1
177.12798	1.2
179.07039	5.3
179.08614	2.4
179.10765	1.1
179.14348	1.0
180.09323	1.3
181.10184	3.6
181.12231	5.9
182.10936	2.8
183.11705	10.5
185.09686	1.9
185.13264	6.8
187.11253	4.1
187.14894	2.7
188.11943	1.1
189.12715	4.1
191.03532	0.9
191.10716	3.6
191.14331	1.4
192.09412	0.9
193.10143	1.6
194.10968	2.7
195.08031	1.1
195.11749	5.0
195.13547	1.0
196.12494	2.5
197.09673	1.8
197.13246	4.9
199.11249	2.4
199.14935	1.1
201.05536	2.5
201.12805	1.8
203.07112	3.4
203.14322	17.3
205.10159	1.4
206.11038	0.8
207.11719	3.2
207.13852	5.6
208.12541	1.6
209.13318	4.9
209.15088	0.9
210.10484	0.9
211.11182	2.0
211.14832	6.0
213.12764	2.4
213.16348	1.1
215.06972	1.5
215.10628	0.8
215.14433	1.3
217.15663	0.9
218.10785	0.9
219.11821	1.2
221.13414	3.6
221.15366	100.0
223.14867	1.7
225.12823	2.0
225.16483	1.8
227.14354	1.8
227.18192	0.8
229.15892	2.4
231.13683	1.2
233.13272	1.8
233.15430	4.4
234.14085	1.1
235.11298	1.2
235.14799	1.6
237.16531	1.0
239.14369	1.7
239.18059	0.9
247.14679	0.7
247.16940	16.1
249.16418	1.3
251.14326	1.5
253.15855	1.1
257.15466	1.0
261.16412	1.7
271.17017	1.7
274.19366	1.2
275.17667	1.1
281.19116	1.3
283.17169	0.9
285.18695	1.6
286.19406	2.5
287.20206	7.6
289.19507	0.9
299.20132	6.0
301.21689	1.8
309.18488	1.1
311.20087	2.4
312.20966	1.4
313.21829	1.4
325.21851	1.7
327.23462	1.2
365.24741	4.2
373.25211	1.3
391.26309	10.5
393.13217	5.6
413.26874	1.6
419.29514	2.6
427.28418	6.8
453.29776	1.4
507.34671	8.2
519.34961	2.7
571.20264	1.5
581.40143	3.0
599.21075	1.6
599.40930	58.3
600.41638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
54.20305	2.0
55.05514	14.4
57.07067	7.4
65.03955	3.1
67.05509	29.6
69.03423	2.7
69.07065	20.9
70.71206	2.3
70.71538	4.2
73.02908	5.9
79.05495	20.4
79.60691	2.3
80.82516	1.8
81.07068	57.6
83.08612	10.8
85.02913	18.9
91.05475	21.7
93.07048	55.4
94.47578	1.9
95.01328	7.3
95.04964	3.1
95.08612	100.0
97.06491	2.1
97.10152	7.7
99.08099	2.2
101.02357	2.2
103.03938	3.1
105.07038	59.3
107.08603	92.0
109.06554	4.2
109.10168	78.9
111.08079	6.9
111.11736	2.4
111.38353	2.0
113.02379	2.8
114.84322	2.1
117.07018	9.0
119.08586	61.5
121.10154	67.8
123.11727	27.2
129.07019	3.6
131.08585	22.5
133.10146	61.3
135.11700	58.8
135.74785	2.2
137.05954	3.5
137.13232	12.3
138.09088	2.3
139.11201	7.4
141.01871	10.0
142.07805	2.9
143.08545	8.2
144.09346	2.0
145.10130	32.8
147.11707	41.0
149.09561	2.0
149.13274	32.3
151.07550	2.1
151.11151	3.7
153.05466	2.5
153.66064	2.2
157.10143	13.8
158.10973	2.4
159.11703	36.4
161.09502	2.3
161.13264	41.6
163.11162	3.1
163.14842	23.6
165.12799	5.1
165.43111	2.4
169.10098	3.7
171.11684	9.9
172.12440	2.9
173.13258	28.3
175.14833	36.5
177.12868	3.5
177.16400	27.6
183.11647	2.9
185.13235	7.5
187.14847	22.2
189.16389	36.8
191.17941	18.6
193.15855	3.3
194.35403	1.9
197.13289	3.3
199.14821	9.1
201.16389	25.4
203.17960	46.6
205.15877	4.9
205.19495	5.8
207.17496	7.7
211.14842	3.6
213.16377	6.0
215.17966	28.0
217.16020	2.6
217.19569	22.9
219.17462	17.5
221.18985	9.9
225.16406	2.7
225.28175	1.9
227.17909	12.6
229.19510	35.7
231.17493	2.2
231.21057	4.9
231.36858	2.4
233.19038	14.5
237.16380	2.5
239.17986	2.7
241.19595	9.4
243.21182	4.7
245.19057	6.5
247.20633	22.0
251.11833	3.5
253.19475	2.7
255.21057	7.2
257.19077	3.1
257.22607	9.4
259.20636	4.1
261.22183	4.0
263.11923	2.2
267.20969	4.7
269.22672	7.5
271.06064	20.3
271.24191	2.5
273.22046	3.7
275.23721	5.7
279.11328	8.2
281.22653	3.7
283.15118	3.8
283.24213	4.1
285.07620	4.2
285.22260	2.2
287.23727	4.9
291.11182	3.2
295.24207	4.0
297.26083	2.6
299.05444	7.9
301.25186	2.8
311.14481	2.2
329.28229	2.2
351.17990	7.6
365.19702	4.0
365.32025	2.5
379.21365	2.9
381.31598	2.3
383.33252	3.8
402.17792	3.6
403.34442	2.1
405.35251	22.2
414.18198	2.7
419.24448	3.2
421.34610	2.7
423.36285	39.5
441.37225	8.0
444.19107	4.3
445.19855	2.5
471.27066	2.2
476.21707	4.2
563.37714	2.6
567.26257	3.8
581.09979	2.8
581.38501	23.7
599.15973	14.8
599.31622	17.8
599.39996	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	599.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01891	0.7
55.05511	2.8
57.07072	1.0
63.65622	0.6
65.03949	0.9
67.05495	3.9
69.03416	0.9
69.07075	3.5
71.58340	0.8
71.58697	1.1
75.55770	0.6
79.05495	4.0
81.03430	1.9
81.07066	7.8
81.33885	0.6
83.04985	2.2
83.08637	1.4
91.05501	6.2
93.07067	6.5
95.04972	2.3
95.08617	4.3
97.06547	0.9
97.10246	1.0
103.05456	1.0
105.07039	8.2
107.04963	1.2
107.08616	5.4
109.06506	2.0
109.10136	5.1
111.08101	0.7
113.09594	0.9
115.05506	0.8
116.52831	0.7
117.07021	2.9
119.08593	7.7
121.06514	1.8
121.10113	3.7
123.08071	1.6
123.11736	1.5
125.09665	1.0
128.06244	1.3
129.07039	1.7
130.07820	0.7
131.04907	1.1
131.08597	3.6
133.10153	5.0
135.08057	1.4
135.11732	1.7
137.05972	0.9
137.09627	0.9
141.07031	1.6
142.07794	1.6
143.08586	2.3
145.06490	0.9
145.10121	6.2
147.04424	1.7
147.08057	2.7
147.11760	3.3
148.70963	0.8
151.03978	0.8
151.07562	0.9
153.05486	0.7
154.07750	0.8
155.08583	2.0
157.06439	0.8
157.10133	2.5
159.08095	1.9
159.11716	2.3
160.05334	0.8
161.06009	2.3
161.09651	1.2
161.13258	1.3
163.07545	0.9
165.05539	1.6
165.09062	1.0
167.08563	1.1
169.06624	0.8
169.10118	1.6
170.10637	0.7
171.08073	1.7
171.11713	0.7
173.05984	1.0
173.09644	1.0
173.13242	2.0
175.07584	1.7
175.11182	0.9
175.14847	2.1
177.05513	3.1
177.09152	1.2
181.10130	1.2
183.11649	0.9
185.06026	1.5
185.09593	1.1
185.13251	0.9
187.03952	1.4
187.07538	1.2
187.11252	1.1
189.05449	1.6
189.09169	2.0
191.07069	1.3
193.04945	0.7
195.08070	1.4
195.11737	1.1
197.09650	1.3
199.07579	1.1
199.11215	1.0
199.14848	1.0
201.09216	1.4
201.16472	2.4
203.03461	3.2
203.07039	22.7
203.14415	0.8
203.18010	1.5
205.04927	1.4
207.13771	0.7
209.13332	1.6
211.07559	1.9
213.09113	1.1
215.10649	1.1
221.15410	3.2
225.09140	1.1
229.08568	1.5
233.15472	0.8
241.08638	1.7
243.10181	10.7
257.08148	1.3
269.08072	1.5
285.07401	1.1
307.09473	2.0
313.11938	1.0
321.18875	1.1
325.67114	0.8
337.21698	1.7
339.19568	1.4
351.12497	3.4
357.20944	1.0
361.14334	1.1
365.21014	1.1
369.24280	1.5
379.15234	100.0
380.15787	1.8
393.13593	0.8
393.20230	1.4
395.11194	1.4
397.13147	0.9
397.23904	1.3
418.30652	0.8
505.32169	0.7
507.34839	1.0
521.26605	1.0
549.26379	1.0
553.29419	4.3
563.28455	0.9
567.27277	1.8
571.30658	1.4
581.29242	5.5
581.38019	1.0
599.26764	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	599.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34738	0.7
53.03955	0.7
55.05501	1.1
65.03931	0.8
67.05503	2.7
69.07061	3.0
73.13438	0.7
77.91907	0.7
79.05504	2.8
81.03414	1.2
81.07063	4.5
83.04974	1.1
84.69781	0.8
87.09249	1.0
89.90362	0.7
91.05482	5.0
93.07063	3.8
95.04987	1.0
95.08610	3.8
98.20769	1.4
102.15432	0.8
103.05468	0.7
105.07043	5.3
107.08601	3.7
109.06531	1.3
109.10168	2.7
115.05407	0.8
117.07027	3.6
119.04934	0.7
119.08601	4.0
121.06493	1.9
121.10143	1.7
128.06276	0.8
129.07039	1.6
131.08585	3.1
133.10115	1.6
135.04407	1.2
135.11707	1.5
141.06975	0.9
143.08585	0.9
145.06546	0.9
145.10121	3.7
147.04498	1.2
147.08081	1.8
147.11722	1.4
149.02428	1.0
149.06029	1.1
149.13303	1.1
153.07033	1.3
155.08578	2.1
157.10149	1.2
159.08064	1.6
159.11720	2.2
161.02400	2.1
161.06006	2.0
165.07014	1.2
171.08125	0.8
171.11681	0.8
173.06015	1.2
175.07570	3.2
177.05470	6.5
179.07153	0.9
179.08563	1.2
182.07356	1.1
183.08037	1.7
185.05984	1.6
185.09706	1.4
187.07483	1.3
187.14854	1.0
189.05463	1.0
189.09100	2.6
191.07106	0.7
195.08092	1.1
195.11716	1.0
197.09712	2.1
198.06813	1.6
199.07574	1.2
199.14769	0.7
201.09140	2.2
201.16356	1.6
203.03496	2.2
203.07048	27.8
204.07314	0.8
205.04926	1.3
209.13237	0.8
211.07587	3.0
213.09135	6.4
215.07086	0.9
215.10645	1.8
223.07607	1.1
225.09074	4.0
226.09937	2.0
227.07014	1.3
229.08638	2.7
239.10802	1.3
241.08598	2.4
243.10164	7.6
251.07152	1.2
253.08611	1.2
257.08249	1.0
259.09763	1.3
269.08179	2.9
307.09433	28.5
319.09570	1.1
339.19632	1.1
361.14120	7.0
379.15253	100.0
380.15540	3.2
394.67706	0.8
397.23917	1.8
405.20758	1.4
411.14319	1.5
415.15723	0.9
427.15540	0.9
445.16486	7.4
563.27704	1.8
567.27429	1.0
581.29321	8.6
599.30133	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	599.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.05489	7.4
65.03913	4.5
67.05174	2.1
67.05502	26.1
69.03427	3.1
69.07079	17.7
69.21523	22.0
79.05485	13.9
81.06654	2.7
81.07060	37.0
83.08633	2.7
91.05489	19.5
93.07047	23.3
95.04916	3.5
95.08610	19.5
98.21438	4.7
98.77815	2.1
103.05473	2.4
105.04499	2.0
105.07034	27.4
107.04935	6.0
107.08614	20.6
109.06494	3.6
109.10175	19.7
117.07011	8.4
119.08596	23.5
121.02843	2.1
121.06472	7.4
121.10152	17.5
123.04378	3.3
123.08079	2.5
123.11697	8.5
124.71930	2.1
127.34484	2.3
128.06197	3.0
129.07005	4.9
131.04909	2.9
131.08537	7.7
133.02818	4.1
133.06435	2.4
133.10065	13.7
135.04413	3.3
135.11655	9.4
137.13203	3.6
141.06990	4.1
143.08560	5.7
143.61487	2.1
144.05598	2.8
145.06445	6.7
145.10117	10.6
147.04359	9.5
147.08003	8.8
147.11685	21.7
149.02299	4.5
149.05937	2.2
149.13211	6.8
151.03864	3.8
151.07503	3.9
155.08545	4.9
157.06529	3.1
157.10107	4.3
159.04422	4.6
159.08034	4.2
159.11652	10.0
160.05118	2.9
161.02312	9.1
161.06010	12.7
161.13191	6.7
163.03926	3.3
163.07552	4.6
163.14726	3.0
165.05431	6.6
165.06886	2.6
167.08586	2.8
169.04947	2.5
169.06461	2.7
171.08040	4.6
173.05952	7.0
173.09639	3.7
173.13326	2.6
174.06781	2.9
175.03862	4.1
175.07478	6.5
175.14771	4.8
177.05505	19.0
177.09094	4.4
179.07019	4.5
179.08423	3.4
181.06401	3.0
185.05916	8.3
187.03854	3.7
187.07539	5.6
189.05502	10.4
189.09085	17.6
189.16307	4.4
190.06076	2.6
191.07050	13.5
193.04843	4.5
195.08047	5.2
197.06021	4.1
198.06737	2.6
199.07458	6.5
199.19830	2.1
201.05356	7.0
201.09210	11.0
201.16400	15.0
203.07034	89.9
203.16266	2.8
203.17970	34.3
205.04893	3.4
205.08516	4.1
207.06535	12.1
211.07448	8.7
213.09026	9.3
214.06227	5.3
215.06995	6.4
215.10587	3.0
217.08496	3.1
221.08014	2.4
223.07574	3.6
225.09053	3.7
227.03304	2.7
227.06924	4.2
229.06471	4.4
229.08600	56.3
231.10185	7.9
233.08012	4.8
237.09116	4.4
241.08617	10.3
243.06313	4.5
243.10173	30.9
247.09805	3.5
253.08627	3.1
255.10059	3.2
257.07971	4.8
259.09579	10.6
259.16724	12.0
261.11118	4.2
265.12155	2.8
267.10184	3.4
269.11700	3.9
277.17715	3.8
297.14743	5.0
307.09396	18.0
337.17557	2.8
339.19434	5.4
345.14642	10.5
353.13474	2.5
357.20193	2.8
361.14203	23.0
362.14633	4.1
363.15369	9.0
365.13742	3.5
365.20685	3.3
379.15320	50.4
379.22748	5.7
380.23322	7.8
393.13260	4.7
397.12778	6.3
397.23676	13.1
399.14462	2.6
411.14413	20.2
425.15552	7.2
431.14786	3.3
435.14209	3.2
437.16074	3.0
449.15823	31.0
451.17172	7.6
463.17279	6.3
475.17639	3.4
477.19083	4.5
489.18866	8.8
491.20392	6.4
515.47424	3.1
543.23712	4.7
553.29138	3.5
567.26727	7.5
569.28516	2.8
581.28748	9.6
599.29974	100.0
600.29749	3.2
604.15167	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.2
55.05505	5.3
57.07091	2.5
67.05497	9.2
69.03407	3.7
69.07073	11.4
69.81186	3.4
69.81611	7.5
72.11728	1.6
76.10562	1.7
79.05531	11.0
81.03431	2.3
81.07059	17.6
83.04968	1.9
83.08614	2.3
85.02910	2.0
89.03891	2.4
91.05489	25.6
93.07041	17.2
95.04962	7.3
95.08615	13.6
95.64815	1.9
97.06534	3.4
105.07042	19.5
107.04971	2.7
107.08592	15.1
109.06532	6.3
109.10160	13.0
111.04465	1.8
113.97530	1.8
115.05473	2.5
117.07025	7.4
119.04959	2.8
119.08591	23.7
121.06535	11.0
121.10145	13.8
123.08048	3.6
123.11734	1.8
128.06239	3.1
129.07010	5.4
131.08620	8.6
133.06503	2.7
133.10138	10.2
135.08080	2.8
135.11685	5.5
141.06996	3.2
142.07816	2.0
143.08557	6.9
145.06487	2.3
145.10123	13.8
147.04372	5.0
147.08038	7.6
147.11711	7.4
148.05171	3.0
149.02402	2.6
149.05977	8.4
149.13159	2.2
151.03917	2.4
151.07562	6.1
155.08574	5.2
157.10095	5.0
159.04416	3.3
159.08058	3.9
159.11702	6.9
160.05205	2.6
161.02307	6.7
161.05952	5.2
161.09572	3.5
161.13206	2.9
163.03923	2.4
165.06981	3.1
165.09129	3.9
167.08539	2.4
167.10689	5.8
169.10136	5.3
171.08028	2.8
171.11667	2.7
173.13266	2.7
174.06860	2.0
175.03900	5.7
175.07513	5.5
175.14868	2.5
177.04037	3.4
177.05495	51.6
179.07076	3.6
181.10118	4.4
182.07191	3.1
183.08038	4.2
185.05977	4.7
185.09671	3.9
187.03902	4.4
187.07570	2.2
189.09088	5.6
191.06992	3.8
195.08044	4.1
195.11691	4.0
197.06126	1.9
197.09634	3.9
197.13290	2.8
198.06790	2.3
199.07539	6.1
201.09070	3.4
201.16461	3.6
203.03423	38.5
203.07040	100.0
203.17961	4.2
204.07347	2.3
205.04944	4.4
207.06528	3.0
207.11794	2.5
210.06818	3.8
211.07556	4.5
213.09132	11.7
215.10732	2.1
219.11661	2.5
221.13478	2.3
221.15416	7.9
223.11281	3.2
225.09096	13.0
225.12619	2.6
226.09795	3.5
227.07076	4.5
227.10695	6.1
229.08609	11.2
233.15366	5.4
237.05441	2.2
237.09071	3.1
241.08562	8.0
243.10162	23.4
253.08580	7.3
257.08121	2.8
267.10312	9.8
269.08078	6.3
307.09479	5.7
311.19986	2.9
319.09506	6.7
323.16223	2.4
333.10962	3.2
339.19470	3.5
351.12350	4.0
357.21002	2.7
359.12460	9.3
377.13672	8.6
379.11499	41.0
379.15332	6.4
379.22488	13.9
380.23489	3.7
393.13309	3.1
397.12576	2.2
397.23792	8.6
399.15912	2.3
405.20529	7.1
411.14890	2.9
423.21680	10.8
429.16696	2.9
433.12515	5.7
437.15674	2.0
445.16461	12.8
447.18292	3.5
563.28107	2.2
567.27429	4.2
581.29126	25.2
599.29742	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
56.05024	1.0
57.03406	0.6
60.05621	1.3
64.83451	0.4
69.03403	0.6
70.06568	0.9
70.48260	1.3
71.04977	0.6
73.02888	0.4
74.11031	0.4
79.05466	0.5
81.03384	1.4
81.63628	0.4
83.06060	1.3
85.02887	1.7
91.05458	0.8
93.56782	0.4
95.06092	0.4
95.51412	0.4
97.02872	1.2
98.07140	0.6
99.04439	0.9
99.05567	0.5
104.04969	0.5
105.03424	2.3
105.05769	0.9
106.06543	1.5
109.02869	0.8
111.05573	5.8
113.07110	1.5
120.03615	0.7
120.04472	14.1
123.05542	0.8
126.06647	8.4
127.03902	0.7
127.07431	0.8
130.06522	0.6
132.04460	18.3
132.08040	1.0
134.05096	0.6
134.06018	6.7
137.04642	1.3
140.08162	1.1
146.02342	0.8
150.05563	0.8
151.06154	5.7
152.07100	0.6
161.07162	0.6
167.06943	0.5
168.08797	1.8
202.09752	12.5
216.11308	2.9
230.09265	8.5
230.11513	0.7
231.07657	2.5
231.12332	0.6
231.28558	0.5
232.10814	3.4
233.13991	0.8
242.09308	2.8
257.10388	4.7
259.11923	75.0
260.12430	0.8
277.12997	9.3
284.11444	5.8
296.11386	0.7
301.14081	1.7
302.12479	30.8
303.13251	0.6
319.14316	0.7
349.15121	0.6
379.15991	0.5
403.16092	1.3
406.30988	0.4
421.17242	9.0
428.15848	1.0
461.11700	0.5
463.19516	3.7
557.24695	6.0
599.26758	100.0
600.26727	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	599.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03945	1.7
53.73751	0.9
55.01881	1.4
55.05502	2.6
58.41465	1.1
62.56820	1.2
65.03931	2.0
67.05509	6.5
69.07071	3.6
69.82544	2.6
69.82951	4.2
79.05489	4.6
81.03405	1.3
81.07063	10.0
83.01337	1.3
83.04964	1.2
83.13277	1.1
85.06503	1.2
91.05490	36.8
93.07064	9.3
95.04971	3.1
95.08625	5.3
98.20773	1.4
101.21861	1.0
103.05479	1.4
105.07043	12.0
106.04113	1.3
107.08604	9.1
109.06542	2.5
109.10164	10.9
117.07033	8.3
119.04921	1.1
119.08587	11.1
121.02840	3.0
121.06515	20.0
121.10146	5.8
123.08052	1.2
123.11711	4.5
125.09695	1.2
128.06224	2.0
128.46411	1.0
129.07008	4.0
131.08560	10.0
132.05681	1.1
133.10086	6.0
134.03613	1.8
135.04382	1.6
135.07996	1.6
135.11702	3.9
141.07004	1.3
143.08560	3.4
145.10136	19.2
147.04399	3.8
147.08041	1.7
147.11652	2.4
147.29939	1.1
148.05183	1.7
149.02345	3.7
149.05995	13.6
151.03909	2.5
151.07526	2.5
153.06972	1.2
155.08534	2.1
157.10120	3.9
159.08069	2.0
159.11691	16.2
161.02345	4.4
161.05972	4.0
161.09615	1.5
161.13266	2.9
163.11151	1.2
165.06982	3.1
166.07797	1.4
167.03387	2.5
167.08566	1.8
167.10670	2.1
169.10165	1.6
171.08081	1.3
171.11646	1.2
173.13243	2.9
175.03925	4.6
175.07613	1.4
175.14827	3.0
177.05482	100.0
179.07053	3.0
179.08551	3.7
181.10156	1.7
183.08081	4.8
185.05997	2.8
187.14801	2.4
189.05437	2.5
189.09099	1.5
191.07011	2.6
191.08539	2.6
191.17972	1.7
193.05011	6.8
193.06450	1.6
195.08003	1.4
195.11676	1.2
197.09639	1.4
199.07520	1.8
199.14828	4.1
201.09180	1.3
201.16409	18.6
203.03493	11.1
203.07048	83.7
205.04979	84.0
209.09669	1.7
211.07582	2.2
213.09116	1.9
217.04956	5.8
219.17455	11.8
221.09683	1.3
225.09178	2.1
235.07697	1.3
237.09132	2.1
241.08597	2.9
243.10229	4.4
247.07521	1.8
251.07300	1.2
253.08655	12.8
263.07074	1.9
265.08630	22.5
269.08020	4.9
271.09488	1.7
292.07202	1.2
311.20279	2.9
315.38846	1.3
339.19614	2.0
351.12308	2.6
373.17633	1.6
377.21167	7.2
379.11789	40.5
379.22522	3.9
381.13159	1.8
387.19690	1.8
393.13422	1.2
397.23822	7.3
405.20407	4.5
423.21655	2.7
439.11282	1.2
457.12881	52.7
563.27710	1.3
581.27863	31.7
599.30334	59.3
599.40320	2.5
600.30505	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
54.75325	0.4
55.05506	0.4
56.05044	1.8
60.05630	0.8
69.00657	0.4
69.03409	0.7
70.06580	0.6
70.71537	1.2
71.04955	0.5
75.54388	0.4
79.05479	0.6
81.03393	1.5
81.04526	0.5
82.41596	0.3
83.06078	1.6
85.02882	1.2
91.05449	0.6
94.30669	0.4
95.06085	0.4
104.05033	0.5
105.03353	1.1
105.05714	0.5
106.06533	1.0
109.02870	1.0
111.05562	5.2
113.07095	1.3
115.25050	0.3
120.03634	0.7
120.04478	12.4
123.05521	0.8
126.06635	7.1
127.03904	0.4
127.07385	0.8
132.04457	16.7
132.08107	0.6
133.05098	0.4
134.05092	0.6
134.06023	6.9
137.04631	1.0
140.08167	0.9
145.03960	0.9
145.07675	0.4
146.02370	0.9
146.06023	0.5
147.04402	0.6
149.07048	0.6
149.09567	0.5
150.05518	0.8
151.05003	0.6
151.06155	5.6
158.15239	0.4
164.07121	0.4
168.08800	1.6
175.08562	0.4
175.21103	0.4
185.07037	0.5
187.08731	0.4
202.09756	11.5
203.08147	0.5
216.11406	2.5
230.07033	0.7
230.09258	9.3
231.07635	2.7
232.10799	4.2
233.13809	0.6
242.09204	3.3
257.10321	3.5
259.11914	68.5
277.12949	8.9
284.11414	6.1
301.14017	1.4
302.12469	23.7
319.14456	0.5
349.15384	0.9
403.16119	2.1
421.17191	9.1
428.15814	1.0
439.18106	0.7
445.18280	0.8
463.19470	3.3
532.79218	0.4
557.24530	5.6
599.26727	100.0
600.26984	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98596	0.7
55.01863	1.2
55.05503	1.6
63.22156	0.7
63.93505	0.5
65.03930	1.2
67.05487	2.5
69.07050	2.8
69.30393	6.1
73.79121	0.7
79.05483	1.8
81.07058	4.6
83.01353	0.8
83.04952	0.7
91.05487	38.2
93.07033	2.6
95.04960	1.0
95.08627	3.1
103.05492	1.7
105.07040	5.3
107.04953	0.7
107.08577	2.7
109.06482	0.7
109.10175	4.1
115.05403	0.9
117.07037	4.7
119.08575	4.1
121.02866	1.4
121.06511	16.1
121.10140	1.8
123.08102	0.9
123.11703	1.3
129.07033	1.4
131.08572	3.2
133.10112	2.2
134.03639	1.1
135.04405	0.7
135.11685	1.2
137.09653	0.6
141.07007	0.9
143.08543	1.7
145.10098	6.2
147.04439	1.5
147.08061	0.6
148.05214	0.9
149.02303	1.7
149.06006	7.3
149.36504	0.6
151.03894	2.8
155.08533	2.0
157.10133	1.1
159.04486	1.1
159.11746	4.5
161.02339	1.3
161.05995	0.9
161.13240	1.1
163.03903	0.9
163.11111	0.9
165.06982	2.9
166.07765	1.2
167.03397	2.0
167.08432	0.9
167.10716	1.2
169.10086	1.1
173.13283	1.1
175.03909	2.8
177.05481	81.8
178.05786	0.7
179.07106	0.9
179.08542	2.5
181.06520	0.8
181.10150	1.7
183.08092	4.7
185.05981	1.0
187.03961	1.2
189.09222	0.7
191.07037	1.3
191.08569	2.5
193.04964	8.4
193.06563	1.6
194.07259	0.9
199.07649	0.6
199.14980	1.5
201.05493	0.7
201.16426	4.3
203.03450	4.6
203.07036	31.7
205.04973	100.0
206.05281	1.0
207.08157	0.7
209.09573	1.0
211.07552	2.1
211.11197	0.6
217.04967	1.8
219.08098	1.4
219.17455	2.7
225.09143	2.4
227.10597	1.2
235.07591	1.6
237.09116	1.9
241.08638	1.6
243.10132	2.2
247.07590	1.1
253.08633	16.6
263.07059	2.9
265.08618	29.3
267.10403	0.9
269.08133	2.2
271.09677	1.1
339.19897	0.7
351.12219	1.0
377.21133	7.5
379.07333	1.1
379.11816	13.0
379.16272	1.2
379.22699	1.5
381.13501	1.1
397.23694	1.8
405.20731	1.2
423.21454	0.8
439.11670	2.2
457.12869	67.7
458.13260	1.3
581.25201	25.2
599.30499	14.7
599.40796	1.4
612.88232	0.7
629.42560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2506
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
51.56828	1.7
53.03952	2.4
55.05502	4.1
57.07071	2.0
60.73936	1.8
67.05506	10.5
69.03419	2.8
69.07046	7.1
69.89232	5.8
69.89642	4.7
79.05476	6.1
81.03421	2.7
81.07092	11.7
81.84420	1.8
83.08624	2.4
87.49496	1.7
87.51614	1.8
89.06017	3.2
91.05497	13.3
93.07055	14.0
95.04975	3.1
95.08613	11.4
95.11229	2.2
97.06500	2.5
97.80580	1.7
105.07033	16.8
107.04983	3.3
107.08575	8.2
109.06492	5.1
109.10122	8.8
117.07034	4.3
119.08588	18.2
121.06491	1.9
121.10145	9.9
123.08015	5.8
123.11677	2.7
125.05949	1.9
129.06976	3.7
131.08559	7.1
133.02843	2.3
133.10104	7.3
135.08064	2.9
135.11658	4.6
137.09639	2.2
142.07755	2.7
143.08537	5.3
144.31096	1.9
145.10162	10.5
147.08028	7.4
147.11638	7.8
149.13208	2.4
151.03899	2.3
151.07448	3.0
155.08495	2.2
157.10086	8.2
159.08040	2.7
159.11690	6.3
165.05421	3.3
165.09079	7.2
167.08531	3.0
168.09303	2.1
169.10135	2.7
171.11633	4.8
173.13213	2.8
175.14792	2.5
177.05452	4.1
181.10184	2.4
181.12195	2.4
183.11655	4.7
185.13196	2.9
193.04912	3.6
197.13150	2.4
199.14841	2.4
201.16469	2.8
203.07033	36.3
203.14241	2.5
203.17889	3.8
207.11818	2.8
221.15385	17.3
225.08981	2.8
235.12294	3.5
237.13818	3.0
241.15793	2.1
243.10211	12.5
247.16939	3.3
251.15343	2.3
259.16702	4.3
277.17761	3.4
279.10419	2.2
305.07697	2.7
307.09360	5.8
339.15918	6.0
339.19571	2.3
340.17688	3.0
345.14615	10.0
352.17896	2.3
353.17703	6.0
354.18274	8.0
355.19171	2.4
361.14136	32.8
363.15652	6.9
365.17773	3.0
369.20663	20.0
377.17673	2.4
379.15067	10.4
379.18982	10.4
391.18869	2.7
395.14536	8.2
397.12604	2.7
397.19885	9.5
405.20624	4.3
408.19482	2.3
409.20215	4.9
423.21692	4.3
425.19687	31.3
437.19870	3.4
438.20657	2.2
440.22318	3.8
441.23410	2.3
451.21808	15.5
453.18539	3.1
455.24356	4.1
456.25055	4.4
462.20432	3.2
480.21631	2.6
483.23825	5.1
484.24414	5.9
489.18668	2.8
511.23050	8.7
512.24261	65.5
519.33990	7.2
521.21637	5.6
539.22974	57.0
555.25671	2.4
567.27484	4.4
582.22180	7.4
598.62146	2.4
599.24652	100.0
599.40826	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	598.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	2.5
56.96568	2.8
60.04531	70.0
63.96222	2.2
65.03944	2.5
66.34553	2.0
67.05502	8.2
69.07076	2.5
70.81621	4.9
79.05489	4.1
81.07065	8.9
91.05527	4.7
93.07052	6.7
95.08601	6.4
101.35831	2.3
109.44635	1.9
112.21855	2.6
119.08588	2.8
140.39447	2.3
151.04071	2.3
197.13437	2.2
204.62154	2.3
227.10657	3.2
240.07964	2.7
250.25459	3.4
268.07190	3.3
280.26477	8.2
283.09665	47.8
285.07645	9.9
298.27298	10.8
316.28506	89.5
320.06726	2.6
321.07269	4.7
335.05551	3.1
348.06247	4.1
349.06772	7.9
364.05536	2.5
378.07062	3.0
392.04764	3.0
405.06418	2.7
406.06763	15.4
407.07147	10.9
422.09656	3.3
433.05771	9.5
434.06003	15.9
447.07169	3.7
448.07285	11.4
452.07114	5.5
511.47467	2.4
566.12109	5.6
570.14587	7.4
598.14337	100.0
599.14594	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	599.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62731	0.4
59.29279	0.6
67.56040	0.7
69.07022	0.5
79.05498	1.1
81.03432	1.0
81.07050	0.6
91.05473	1.0
93.07005	0.7
95.01342	1.2
95.08605	0.7
97.02909	0.6
105.03395	0.6
107.01319	1.2
107.04947	0.7
115.05489	0.7
119.08620	0.9
121.02868	1.3
121.10152	0.9
123.00822	2.9
124.01597	1.4
129.07010	0.9
133.02855	1.5
134.03618	3.5
137.02333	6.4
139.98195	0.5
141.06981	1.2
145.02837	0.8
147.04413	0.6
148.05211	1.3
149.02354	9.5
151.00311	1.0
152.01068	10.6
153.01833	5.8
155.04922	2.2
155.06087	0.6
158.29065	0.5
159.04550	0.6
160.05217	0.5
164.04698	19.5
167.03419	0.9
169.01331	0.5
169.06522	1.3
170.02130	4.0
171.04395	0.7
173.13339	0.6
175.03937	0.8
178.02588	1.0
183.04437	1.6
185.06021	1.4
186.06810	0.8
187.03996	1.2
196.05240	1.0
197.06035	1.6
199.03867	0.5
200.04721	0.8
201.05476	0.7
202.06378	0.9
203.03415	0.8
211.03909	1.2
212.04710	0.6
213.05438	5.3
214.06209	2.7
214.09607	0.5
215.06984	0.8
216.04228	1.7
225.05498	6.4
227.03419	1.2
228.04213	1.7
229.04982	10.8
229.08575	0.7
230.05797	1.1
231.02901	0.7
231.06479	0.9
231.19524	0.6
239.03383	3.3
240.04024	1.3
241.04916	5.0
242.05649	0.8
243.06575	0.9
244.03685	3.2
245.08231	0.9
253.04935	7.1
255.02924	11.7
256.03561	2.7
256.07358	2.1
257.04465	7.0
258.05148	0.7
259.06052	0.9
267.02872	4.3
268.03748	4.0
269.04492	5.4
270.05231	14.5
271.06067	6.6
272.03287	1.0
272.06512	0.6
281.04364	1.1
283.02399	2.0
283.06036	1.6
284.03235	8.0
284.06787	2.1
285.04053	7.8
285.07544	50.1
286.04724	5.5
286.07764	1.1
287.05450	2.8
299.05508	12.7
300.02710	2.7
300.06339	7.0
301.03687	1.0
301.07077	23.8
315.04987	8.4
316.05817	16.5
340.73984	0.6
432.08295	1.1
581.33466	0.5
599.11871	100.0
600.12042	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	598.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
54.43566	0.9
59.98419	1.2
61.02932	2.0
69.03409	2.2
69.24406	10.2
69.24809	2.3
70.06601	1.4
71.04984	1.1
75.34695	0.9
79.05486	4.7
81.03426	12.7
85.02923	11.6
91.05505	1.5
95.04964	2.8
96.36454	1.1
97.02880	4.2
99.04481	1.3
103.05499	2.8
105.07013	2.6
105.46883	1.2
107.04960	10.6
109.10153	1.1
113.66750	1.1
115.05461	6.5
117.07025	13.6
118.04221	1.5
123.04453	3.7
127.03927	17.1
127.05402	1.3
128.04250	4.9
128.06293	1.1
129.06993	2.7
131.08560	3.2
143.04893	1.7
144.05678	2.4
144.79230	1.2
145.02866	2.0
145.04907	2.4
145.06503	32.9
146.03256	1.4
152.04660	1.5
153.05429	1.9
155.06009	4.7
156.05711	5.1
157.06482	2.5
159.08067	4.8
161.05995	3.5
167.07053	46.6
172.05194	1.2
173.06000	56.6
175.07523	1.9
177.05550	5.8
178.05766	1.8
180.08687	2.9
184.05099	1.3
187.07541	4.3
190.06259	32.8
191.06981	1.7
193.08609	1.6
202.06238	4.0
203.07054	5.9
205.08617	100.0
214.08487	1.2
217.08620	38.9
219.10190	3.7
223.09608	2.0
231.08011	1.4
235.07483	2.4
235.09666	27.6
244.37473	1.1
247.07516	1.7
247.09700	6.6
248.08499	1.7
263.10800	1.4
265.10760	26.8
271.05969	1.5
284.06503	2.1
291.10294	1.9
303.52835	1.2
313.07135	1.5
315.08676	4.3
325.10489	1.3
330.10907	6.0
331.11743	3.3
337.10556	1.2
351.12415	6.1
368.12549	2.2
369.12802	2.0
371.14752	3.0
383.14905	9.2
401.15900	9.8
502.11380	1.2
598.34106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
55.01873	3.8
57.03436	2.8
61.02927	2.9
64.95237	0.8
67.08536	0.8
68.99793	2.3
69.03445	10.8
71.04997	2.3
73.02920	2.4
79.05501	12.9
81.03427	15.6
81.07063	2.7
85.02912	29.1
87.00844	11.9
91.05491	2.4
95.04973	2.3
95.08623	1.0
97.02898	13.1
99.04480	5.1
105.01884	5.8
105.07046	3.9
107.04963	33.9
108.04500	1.3
109.02895	12.7
117.01847	2.4
117.07020	1.1
119.04990	1.4
121.06492	2.5
124.05205	5.3
125.06004	2.7
127.03935	19.3
129.01845	3.3
133.06519	1.8
138.03136	8.0
145.04982	8.3
152.04684	3.6
153.05489	42.5
159.02911	7.5
161.06009	3.3
163.03947	1.0
167.07059	100.0
177.05492	13.7
178.06390	1.1
179.07077	4.9
191.07071	1.7
192.25850	0.9
193.08614	16.4
195.06577	6.7
203.07132	0.8
219.06534	10.8
221.08101	8.8
228.20834	0.9
231.05028	3.7
243.06491	1.2
245.08070	4.2
258.40274	0.8
261.07608	3.9
287.09161	1.9
325.10916	1.2
333.13272	5.6
357.13440	4.6
365.08585	4.8
391.10327	1.7
399.14468	5.8
423.14529	2.8
441.15787	4.2
510.53116	0.9
598.25275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05417	0.8
59.06000	1.0
67.05361	1.6
67.05733	1.3
69.06922	1.6
69.07313	1.4
71.58755	1.0
79.05330	2.3
79.05743	1.0
81.06882	2.3
81.07396	1.5
81.54149	0.8
83.08471	0.8
89.05896	0.9
91.05305	8.4
91.05917	2.1
93.06875	1.9
93.07374	0.9
95.08430	3.8
95.09081	1.2
104.53267	0.8
105.06837	5.6
105.07581	1.8
107.08388	3.0
109.09950	2.5
109.10669	1.3
115.05338	0.8
117.06880	1.5
119.08387	5.5
121.10014	1.4
123.11536	1.4
129.06828	0.9
131.08406	1.9
133.09959	2.1
135.11575	1.4
137.05844	1.0
143.08398	1.7
145.06337	0.9
145.09914	3.6
147.07845	0.8
147.11446	2.2
149.05733	1.6
151.03716	0.8
151.07425	1.0
153.06827	1.0
155.08447	1.3
157.09982	1.4
159.11591	1.2
161.05812	2.1
161.09448	0.8
167.03249	1.3
169.10028	1.3
172.24731	0.7
173.13162	1.1
175.03793	1.1
175.07411	1.1
177.05507	7.4
179.06950	1.7
181.09979	1.3
189.05392	1.0
191.06909	1.6
191.10417	0.8
201.16226	1.7
203.03152	1.7
203.07056	15.3
203.17833	1.5
205.04874	1.0
211.07549	4.1
213.08981	1.8
215.10663	0.8
227.02950	0.8
229.08537	4.5
239.06938	1.8
239.49242	0.8
243.10027	3.4
249.08919	0.9
251.07001	0.9
253.08505	2.0
255.10158	1.0
257.08105	9.3
267.10019	3.2
269.07986	1.2
283.89169	0.7
296.91721	0.8
301.08347	0.7
307.09433	35.0
307.13019	1.8
323.16415	1.6
361.10425	0.6
361.14249	8.9
377.14160	0.9
379.15265	100.0
380.15540	1.9
395.22009	1.7
579.23175	10.9
597.32129	28.8
597.39478	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	597.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05516	0.7
57.20376	0.4
61.67393	0.5
65.03930	1.9
67.05511	2.9
69.03432	3.5
69.07063	2.3
69.71169	3.0
71.05013	0.5
74.97132	0.4
75.86173	0.5
79.05491	2.3
81.03418	1.1
81.07059	3.4
83.01302	0.5
83.08636	0.6
91.05483	37.8
93.07037	2.1
95.04965	1.5
95.08607	1.5
97.06496	0.8
97.10198	0.7
98.20660	0.5
103.05437	0.6
105.03368	1.6
105.07044	3.4
107.04952	0.6
107.08578	2.3
109.06506	1.4
109.10134	1.7
115.05424	1.3
117.06985	0.8
119.08584	3.3
121.06467	0.8
121.10135	1.2
123.08104	0.5
125.09603	1.7
128.06226	0.7
129.06984	1.7
131.04915	2.8
131.08554	1.7
133.06532	0.5
133.10127	1.4
135.07974	0.5
135.11642	0.8
141.06955	1.4
143.08600	0.7
145.06502	1.3
145.10121	2.2
147.04420	1.1
147.08003	0.7
147.11697	0.9
149.02342	2.3
149.05920	0.8
149.09576	0.8
151.03902	1.5
152.06137	0.6
153.06866	0.9
155.08568	7.9
155.55067	0.5
156.09317	0.5
157.06490	0.6
157.10164	1.1
158.07268	3.1
159.04446	1.3
159.08022	2.1
159.11679	1.2
161.02393	1.1
161.05974	1.9
163.03926	1.1
163.07523	0.5
165.07018	1.7
166.07838	0.7
167.03464	2.2
167.08548	0.8
168.05759	1.1
171.04456	0.8
171.08072	0.8
171.11719	0.4
173.06003	0.9
173.09598	1.2
173.10976	0.5
175.03899	6.3
176.04733	0.9
177.05505	4.5
178.07739	1.5
179.08580	2.0
181.10085	1.2
182.07298	0.7
183.08073	3.6
185.05956	2.8
185.09552	0.8
186.06796	0.7
187.03931	1.7
187.07541	1.4
187.14919	0.5
189.05455	2.7
189.09143	1.2
190.06178	0.8
191.07013	1.3
191.08574	0.9
193.04764	0.5
193.10205	0.7
194.07248	0.8
195.08084	1.3
197.06024	0.8
197.09628	1.0
198.06781	0.8
199.07524	0.7
199.14848	1.0
200.04688	0.6
201.05502	1.0
201.09102	2.7
201.16403	0.7
203.03386	1.9
203.07043	15.7
205.04948	2.5
207.08131	0.6
209.09593	1.2
211.07552	31.6
211.13197	1.0
212.07962	0.7
213.05486	0.7
213.09099	3.4
214.06218	4.4
215.07155	0.7
219.08025	0.7
221.09644	5.6
225.09015	2.6
227.07045	1.1
229.08606	36.8
230.08931	0.6
235.07547	0.9
237.09117	1.4
238.09683	0.5
239.07043	13.3
239.10707	1.2
241.08575	1.4
242.05730	4.2
243.10172	5.3
249.09079	0.6
253.08485	0.6
255.10083	0.6
257.08099	100.0
258.08411	1.2
265.08548	0.6
266.09390	0.6
267.10178	23.5
269.08167	1.1
273.14981	1.4
279.10187	0.9
285.11230	5.4
305.15448	1.5
323.16434	10.2
341.17358	0.6
363.19611	0.5
375.19470	0.6
377.20996	1.1
379.11725	2.8
395.22162	1.3
399.08554	1.2
445.16522	2.5
455.11087	1.0
463.15167	0.9
473.13324	1.2
491.14926	15.8
511.17456	1.4
523.17542	2.6
541.18909	0.8
547.24664	1.3
552.36041	0.5
561.23633	0.7
565.25562	1.2
579.23474	9.4
597.25464	9.2
597.40454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33138	0.6
56.64817	0.4
59.45341	0.5
60.65819	0.5
65.03941	1.1
66.16370	0.5
67.05505	0.5
69.07077	0.8
69.65223	3.1
74.58926	0.4
79.00172	0.4
79.05481	0.6
81.07067	0.9
91.05486	25.3
105.03387	1.5
105.07018	1.2
107.08625	1.3
115.05424	0.5
117.07040	0.5
119.08572	0.9
129.06985	0.6
131.04936	1.6
131.08574	1.0
133.10136	0.9
141.07059	0.4
142.98961	0.5
145.10133	1.1
147.11678	0.6
155.08571	4.5
158.07210	2.5
159.04463	0.6
159.08047	1.9
161.05997	0.9
165.06975	0.7
167.03433	0.7
167.62201	0.5
168.05672	0.5
171.04454	0.6
173.09650	0.8
175.03929	4.1
177.05501	1.8
177.87367	0.5
179.08490	1.0
183.08000	2.4
184.95018	0.5
185.05978	1.7
187.03845	0.7
189.05460	2.1
190.06288	0.6
191.08537	0.6
192.09375	0.5
201.05548	0.6
201.09132	1.7
203.03415	0.7
203.07001	4.6
205.04843	0.7
207.01665	0.5
211.07562	22.9
212.07802	0.5
213.05447	0.7
213.09172	0.9
214.06247	3.3
215.07014	1.0
221.09662	0.5
225.09103	0.7
227.07010	0.7
229.08614	29.6
237.09035	0.6
239.07051	11.0
239.10730	0.7
242.05725	3.0
243.10257	0.7
249.09081	0.9
253.08533	0.6
255.10193	1.0
257.08105	100.0
258.08469	1.6
263.07001	0.6
266.09607	0.5
267.10193	15.3
279.10138	1.4
285.11307	3.8
320.13708	0.5
323.16473	7.6
324.30722	0.5
325.19687	0.6
341.17575	0.7
363.57919	0.5
377.21103	0.6
379.11697	0.8
401.37015	0.5
417.71286	0.5
433.27359	0.6
463.15390	0.8
473.13626	0.7
491.14908	12.2
509.29959	0.6
511.17358	1.6
523.17706	3.6
579.23627	9.3
597.24597	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07517	0.6
60.47375	0.7
61.37371	0.6
67.05511	0.7
69.07054	2.7
71.01865	0.8
71.02202	1.4
79.05510	0.7
81.07055	3.3
82.81117	0.6
91.05495	5.9
93.07042	1.6
95.04958	1.3
95.08601	1.6
103.05472	0.8
105.03365	1.9
105.07037	2.2
107.08572	2.5
109.10136	1.1
119.08554	2.6
121.06515	22.2
123.11708	0.9
128.06221	0.7
129.03391	5.0
129.06947	0.7
133.10207	0.6
134.03653	1.2
135.11655	1.3
141.06998	1.7
145.10078	1.6
147.11617	0.7
149.05997	6.1
151.03908	7.9
152.06277	2.3
153.06985	3.0
157.02835	1.0
157.10229	0.7
159.11661	0.8
161.02382	1.2
162.03093	1.2
165.07021	3.5
166.07787	1.2
167.08563	7.8
171.04422	1.2
175.03876	1.5
177.05482	89.8
178.07767	5.8
179.08569	10.1
181.04968	1.1
181.06488	13.2
185.02333	1.0
189.07050	2.0
193.04985	10.2
193.06662	1.1
195.08063	4.5
197.06006	4.2
197.09822	0.6
199.14815	0.7
203.03442	7.9
203.07053	12.6
205.04970	100.0
206.05354	0.8
207.08057	9.9
209.06003	14.4
213.09149	1.4
217.06602	1.7
223.07547	4.3
235.07549	10.2
243.10107	1.0
251.07045	33.3
253.01271	0.9
253.08623	1.8
263.07043	51.8
265.08575	1.2
267.10074	0.8
269.08066	4.2
271.02429	1.6
281.08093	24.1
293.08099	0.9
293.11591	0.7
303.06601	1.5
319.06000	1.7
327.10147	1.4
331.05927	3.5
355.09985	0.8
368.16553	0.7
375.19568	7.7
379.11783	10.3
393.20557	5.4
395.22156	1.1
409.10681	2.6
437.10391	3.4
455.11292	91.4
456.11530	1.5
457.12476	1.0
469.12720	1.2
473.12341	22.5
579.23663	8.4
597.26160	5.4
597.40253	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05496	0.8
67.05475	1.1
69.07091	3.8
69.81255	4.2
79.05477	1.8
81.07073	3.9
91.05502	6.6
91.68751	0.7
93.07051	1.9
95.04958	1.2
95.08620	1.6
103.05464	0.9
105.03411	1.1
105.07013	1.5
106.01337	0.7
107.08598	1.4
109.06547	0.8
109.10165	1.5
119.08589	1.3
121.06512	16.1
121.10099	0.8
123.11722	1.2
129.03360	5.8
131.08504	0.8
134.03679	0.9
135.11728	2.0
141.06993	1.9
144.62090	0.7
145.10172	0.8
149.06007	5.0
151.03908	11.8
152.06230	2.6
153.07014	3.2
157.02864	1.0
165.07050	3.6
166.07813	1.1
167.08569	9.1
171.04489	1.1
171.11626	0.9
175.03873	1.1
177.05479	72.8
178.07777	6.9
179.08565	12.9
181.06483	14.8
185.02371	1.8
189.06987	2.1
190.07851	0.9
193.04977	13.3
193.06636	1.1
195.08057	4.2
197.05966	3.6
203.03394	5.9
203.07065	2.7
203.24760	0.7
205.04970	79.1
207.08073	12.4
209.05998	19.6
217.06462	1.8
219.08131	1.0
221.06062	1.0
223.07513	4.1
235.07553	10.2
237.05580	1.0
237.08943	0.9
245.06017	0.8
251.07050	38.4
253.01305	2.2
253.08615	1.9
257.08145	1.0
263.07050	61.7
264.07730	1.0
265.08609	1.7
269.08148	3.1
271.02469	1.6
275.06979	1.4
279.06482	0.9
281.08093	28.9
303.06567	2.1
309.57062	0.7
311.10477	0.8
319.05936	4.0
327.10193	1.0
331.06055	3.0
349.06964	1.0
353.11923	0.8
359.05795	0.7
375.19702	4.9
378.43750	0.8
379.11789	1.0
383.08960	1.1
393.20529	6.8
409.10968	2.7
427.11621	1.1
437.10220	2.9
455.11298	100.0
456.11450	1.3
457.12808	1.6
469.12671	0.8
473.12326	27.9
474.21768	0.8
561.23383	1.1
579.23633	10.7
597.24005	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	597.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
54.21691	0.4
55.01887	0.5
59.82808	0.4
65.03942	2.4
67.05502	0.6
69.03416	1.3
69.70525	2.7
76.05701	0.5
81.03426	0.6
85.02896	2.1
89.03889	2.6
93.03409	2.3
97.02895	29.3
97.24745	0.5
99.32714	0.6
107.04917	0.5
109.02875	1.1
117.03396	5.3
119.08759	0.4
121.02956	1.0
125.02373	0.5
125.06062	0.5
127.03923	100.0
128.06253	0.7
129.07002	2.5
139.03918	0.6
139.05463	0.6
141.07028	0.8
145.02849	17.4
149.02336	3.3
149.05940	2.2
151.03897	0.7
157.06488	3.0
167.03416	16.8
167.04843	1.0
169.06514	1.0
172.75986	0.5
177.05482	34.6
185.06013	1.3
188.08356	0.9
189.09062	3.5
193.16643	0.5
199.07538	2.6
207.06522	0.9
217.08662	2.7
227.07040	2.5
245.08110	6.6
273.07483	1.0
287.05505	1.5
288.05844	1.2
289.06201	1.0
289.09213	2.7
291.08640	11.0
309.09680	1.3
587.44006	0.5
597.25317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
54.21691	0.4
55.01887	0.5
59.82808	0.4
65.03942	2.4
67.05502	0.6
69.03416	1.3
69.70525	2.7
76.05701	0.5
81.03426	0.6
85.02896	2.1
89.03889	2.6
93.03409	2.3
97.02895	29.3
97.24745	0.5
99.32714	0.6
107.04917	0.5
109.02875	1.1
117.03396	5.3
119.08759	0.4
121.02956	1.0
125.02373	0.5
125.06062	0.5
127.03923	100.0
128.06253	0.7
129.07002	2.5
139.03918	0.6
139.05463	0.6
141.07028	0.8
145.02849	17.4
149.02336	3.3
149.05940	2.2
151.03897	0.7
157.06488	3.0
167.03416	16.8
167.04843	1.0
169.06514	1.0
172.75986	0.5
177.05482	34.6
185.06013	1.3
188.08356	0.9
189.09062	3.5
193.16643	0.5
199.07538	2.6
207.06522	0.9
217.08662	2.7
227.07040	2.5
245.08110	6.6
273.07483	1.0
287.05505	1.5
288.05844	1.2
289.06201	1.0
289.09213	2.7
291.08640	11.0
309.09680	1.3
587.44006	0.5
597.25317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1398
Annotation	4''',5,5'',7''-Tetrahydroxy-3'',3''',4'-trimethoxy-6-O-alpha,7- beta-flavone-chalcone
Peak:m/z	Relative Intensity
53.03931	0.7
53.74393	0.3
55.21434	0.3
69.03426	0.5
69.43301	2.4
72.32491	0.3
79.01826	0.5
79.05513	0.4
81.03410	0.5
81.07059	0.7
85.02907	0.7
91.05463	0.5
93.07039	0.8
95.04996	0.5
95.08624	0.4
97.02911	0.5
98.21455	0.5
100.09521	0.3
105.07075	0.3
108.41447	0.3
121.06516	1.5
127.03960	0.5
133.06506	0.9
135.04419	4.4
137.02316	0.4
137.05980	0.6
151.07468	0.4
152.01064	3.7
153.01843	3.9
167.03421	5.0
170.02116	1.2
177.01724	0.3
185.06035	0.3
199.59128	0.3
212.04597	0.3
229.04898	0.4
239.03493	0.4
241.05026	0.3
244.03784	0.5
247.07356	0.4
252.04312	0.7
255.06506	0.5
267.02609	0.4
269.04623	0.4
271.06061	0.8
275.07056	0.7
283.06091	0.4
285.07642	1.3
290.05640	0.4
299.05560	0.8
300.06500	1.3
303.06729	1.5
305.04404	0.4
312.06403	0.7
313.07199	1.1
314.07654	0.4
315.08743	2.0
317.07983	0.7
319.06116	0.4
328.07465	0.4
329.08154	0.7
331.05966	0.8
335.05664	0.5
343.06326	0.7
344.07037	2.2
345.07599	0.9
346.08160	1.5
348.06314	0.5
349.08026	0.3
356.06516	0.5
357.07755	0.6
358.08615	0.9
359.05536	1.2
359.09290	1.3
361.07077	0.5
362.07852	1.8
370.08377	0.7
371.09329	0.6
373.06943	0.6
374.07730	3.2
374.11572	0.3
376.05725	0.5
378.07495	0.6
385.07111	0.5
386.07983	0.8
387.08752	2.3
388.05624	0.4
389.10446	0.6
390.07468	1.2
391.08368	1.3
397.06836	0.4
398.07697	0.4
399.08731	1.8
401.10297	1.3
402.07211	9.9
403.08218	1.0
405.10052	2.5
406.07111	0.4
414.07440	0.7
415.08081	2.5
416.08896	0.7
417.09720	11.6
418.10010	0.6
428.08655	0.5
429.09805	0.9
430.10660	2.2
431.11337	1.5
449.10345	0.5
465.09564	0.8
470.10782	0.5
493.09265	1.3
494.10098	0.6
521.08771	0.9
522.09717	0.6
525.12329	0.5
536.11255	0.6
537.11749	1.1
539.10065	0.5
549.08441	1.1
550.09009	3.6
551.09912	1.1
553.11365	0.9
563.09296	0.6
564.10699	1.1
565.11566	3.6
567.09344	1.0
581.10815	2.3
582.11774	1.5
597.13953	100.0
598.13934	2.3
599.60138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1392
Annotation	Ridiculuflavone C
Peak:m/z	Relative Intensity
55.11455	1.0
69.97581	4.4
91.05476	1.3
92.02639	1.2
98.33810	0.8
100.30838	1.0
103.20087	0.9
104.74767	0.8
105.07030	4.1
107.08544	1.4
115.05416	1.4
116.81572	1.0
118.04184	0.9
119.04963	1.1
123.00804	4.4
124.01619	1.2
125.02338	1.2
128.06215	2.1
132.05681	1.6
133.02849	12.3
133.06474	4.0
135.04414	1.9
137.02353	9.0
138.03166	2.3
139.03928	1.0
148.05197	60.7
151.00290	1.5
152.01057	11.2
153.01842	19.3
157.06549	1.2
161.05939	3.9
161.65353	0.9
166.02672	4.5
167.03413	8.1
167.58546	1.0
168.05797	1.0
170.02122	3.4
171.08060	10.1
175.03894	1.6
181.06468	1.7
184.03691	2.0
184.05180	2.6
185.06064	1.5
195.04436	1.5
197.06013	1.3
199.07549	1.8
209.05911	4.2
212.04723	2.1
213.05519	2.6
224.04785	1.0
225.05359	1.1
227.06982	2.1
230.05804	1.2
239.03479	1.0
240.04176	6.5
240.07933	1.9
241.05020	3.0
242.05855	0.9
243.06683	1.5
252.04221	4.0
253.05051	2.1
255.06538	83.4
256.07346	3.2
259.09702	1.5
269.04501	2.5
269.08167	2.2
271.06055	2.5
272.06799	1.2
281.08121	2.0
282.05231	3.1
283.06009	19.3
284.06808	46.2
285.07498	2.4
297.07578	1.8
298.04745	1.6
299.05649	2.1
300.06284	19.3
300.91385	1.0
313.07242	2.2
314.04187	1.7
314.07855	33.1
315.08633	92.6
316.09106	1.6
431.10818	0.9
551.10046	4.1
597.13922	100.0
598.14038	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	597.1392
Annotation	Ridiculuflavone C
Peak:m/z	Relative Intensity
53.03949	0.7
55.05517	0.6
56.96568	0.5
67.05495	0.7
69.07065	0.8
71.05008	0.4
71.58448	0.6
81.07057	1.9
85.02916	1.3
91.05494	1.4
93.07080	1.2
95.08611	1.8
97.02901	0.4
105.07043	1.1
107.08607	1.1
109.10159	0.9
119.04981	0.5
119.08577	1.3
121.06537	1.5
121.10210	0.8
124.01579	0.6
127.03983	0.5
131.08589	0.5
133.06474	0.5
135.04396	2.9
135.08069	0.5
135.11731	0.6
137.02390	0.7
137.05981	0.5
143.08583	0.5
145.06667	0.4
145.10184	0.7
149.06026	0.5
152.01076	1.8
153.01799	2.1
159.11659	0.5
161.06062	0.5
167.03477	2.2
167.07085	0.9
170.02193	1.0
171.11702	0.5
177.12988	0.4
183.69554	0.4
203.06931	0.6
222.38174	0.5
244.03720	0.4
255.06697	0.4
269.04184	0.5
283.06097	0.8
283.09903	0.4
287.06906	0.5
297.04016	0.9
299.05261	0.6
300.06461	0.8
301.07138	0.7
313.08496	0.5
315.08887	0.6
341.08240	1.8
343.09888	0.7
355.05994	0.4
356.10498	0.9
359.05463	0.8
359.09348	0.6
360.06314	0.5
369.07693	1.4
370.08618	0.6
373.06918	0.4
374.07959	2.8
375.08865	1.0
380.55383	0.5
382.05087	0.5
387.08875	1.1
389.10226	0.6
390.07800	0.6
391.08508	0.7
397.07047	7.0
398.07901	2.4
399.08820	1.0
402.07355	0.7
403.08286	0.8
405.10080	0.6
412.09439	6.2
413.10352	1.6
417.09763	3.2
437.10187	0.7
451.11850	0.5
465.09500	0.9
476.08902	1.1
491.11688	0.6
493.09116	1.4
494.10178	0.8
503.07462	1.0
504.08398	2.8
505.09213	0.6
508.11224	0.6
517.08527	0.5
519.10944	3.3
520.07886	2.6
521.08759	2.1
522.09760	0.6
535.10358	6.4
536.10944	1.4
537.11450	0.5
546.09631	0.6
547.10400	0.9
549.08496	1.3
550.08752	2.4
551.12939	0.5
563.09631	2.8
564.10486	7.8
565.11340	5.0
579.13190	6.5
582.11328	1.2
597.13965	100.0
598.14069	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	597.139
Annotation	4''',5,5'',7''-Tetrahydroxy-3'',3''',4'-trimethoxy-6-O-alpha,7- beta-flavone-chalcone
Peak:m/z	Relative Intensity
55.05527	0.4
65.03964	0.5
70.95045	1.0
76.43843	0.4
79.05508	0.6
81.03412	0.6
91.05503	0.7
93.07059	0.5
95.04945	0.5
105.07057	0.4
121.02847	0.4
121.06536	1.3
124.01587	0.6
133.06468	0.5
135.04433	3.4
148.05222	1.3
149.05965	0.4
152.01073	9.7
153.01865	3.4
161.06088	0.4
167.03410	19.3
170.02113	2.6
189.16664	0.4
224.95738	0.4
229.40700	0.4
237.05594	0.5
294.84219	0.5
313.03613	0.5
315.08835	0.9
327.06741	1.0
342.09085	0.5
355.06061	1.0
356.06769	3.2
357.07690	0.6
358.08371	0.5
370.08258	0.9
375.05005	0.5
383.09039	0.6
384.06339	3.3
385.06903	0.5
397.06943	0.5
398.07983	2.5
399.08652	11.9
400.09662	0.6
401.10400	0.8
403.11990	0.8
410.14325	0.4
412.09836	0.6
413.10416	0.6
414.07767	0.6
421.65024	0.4
429.09924	0.8
430.10727	0.7
431.04901	0.9
431.11328	6.1
435.09195	0.4
437.10306	0.4
439.08038	0.6
449.10275	0.6
451.08096	0.6
457.09470	1.4
465.09985	0.5
466.11453	0.6
475.10172	2.5
505.09427	0.7
507.06876	0.7
508.07764	3.9
521.08417	0.9
522.09839	2.0
523.10510	0.9
533.08765	0.8
534.09076	0.5
535.10828	0.5
536.07758	1.8
549.08160	1.1
550.08826	2.9
551.09753	33.8
563.09729	2.2
564.10602	0.6
565.11121	4.8
579.03693	0.6
579.12854	4.3
582.11975	0.9
597.13971	100.0
598.14325	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	597.1394
Annotation	Ridiculuflavone C
Peak:m/z	Relative Intensity
62.75618	0.3
64.52959	0.3
70.02464	1.2
90.78132	0.4
92.02620	0.4
98.20846	0.4
99.17130	0.3
105.03397	0.4
107.01399	0.4
107.04973	1.4
108.02110	0.6
113.16566	0.3
115.05449	0.5
118.04167	2.3
121.02850	0.7
123.00791	0.9
125.02357	0.8
128.06258	0.7
129.06966	0.3
132.05685	0.8
133.02847	0.5
133.06456	0.5
135.04459	0.6
136.01538	0.4
137.02338	3.5
138.03130	1.0
142.15880	0.3
145.02866	0.6
148.05206	0.7
149.02356	7.6
151.03946	0.9
152.01031	2.6
153.01843	7.2
153.02985	0.6
154.02554	0.6
155.04875	0.4
156.05736	1.1
157.06493	0.5
159.04443	0.4
163.03952	0.5
164.04695	17.7
165.01894	0.4
166.02644	1.9
167.03427	7.6
167.04883	0.4
168.05740	0.7
169.06500	0.8
170.02196	0.4
170.03648	0.6
171.08119	1.2
174.03136	0.7
181.06502	1.2
182.07382	0.4
183.04483	0.5
183.08090	0.3
184.03760	0.4
184.05260	1.2
185.05974	0.5
187.03931	1.2
187.07550	0.3
192.04236	1.3
197.06021	1.8
198.03122	0.4
198.06750	0.9
199.04019	0.4
199.07542	1.7
200.04750	0.9
201.05521	0.8
202.02751	0.3
202.06325	1.2
209.00804	0.5
211.03932	0.3
212.04744	1.2
213.05544	1.3
213.09106	3.8
215.03410	0.9
217.04938	0.6
224.04791	0.4
225.05510	1.8
226.02673	2.0
226.06194	2.7
227.03506	0.5
227.07076	1.2
228.04195	4.6
229.05032	0.7
230.02248	0.5
230.05640	1.5
237.05495	4.1
239.03450	0.8
240.04228	2.2
240.07787	2.5
241.04984	2.0
242.05786	0.6
243.02835	0.6
243.06540	5.6
245.04538	1.4
252.04153	4.0
253.04941	4.2
254.02104	2.6
254.05713	4.8
255.02917	1.4
255.06529	6.8
256.03662	2.3
257.04465	0.7
258.05273	2.1
259.06070	0.4
267.02969	1.6
267.06604	0.8
268.03616	1.9
268.07397	1.3
269.04599	9.8
269.08157	55.3
270.05258	2.1
270.08157	0.6
271.02814	0.5
271.05997	7.0
273.07712	0.9
282.01788	0.7
282.05283	1.5
283.02493	1.6
283.06061	2.9
284.03177	14.5
285.03973	0.9
285.07672	1.9
286.04782	1.8
287.05606	0.6
295.06036	1.0
297.03873	1.5
298.04730	5.4
299.01971	1.4
299.05484	18.2
300.06293	12.7
301.07095	4.6
311.05713	0.5
312.06287	0.7
313.07059	10.7
313.10669	0.6
314.04266	6.7
314.07925	6.2
315.05002	1.5
315.08612	19.4
329.06561	12.3
329.10422	0.7
330.07358	22.9
416.09232	0.6
597.13953	100.0
598.14441	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	41.7
69.03435	33.5
69.07057	43.0
69.34077	100.0
69.34505	66.2
79.05448	20.5
81.03416	27.9
81.07071	86.1
83.08621	34.3
85.02908	93.1
93.07059	30.9
93.72850	17.3
95.08604	95.5
97.02937	30.3
97.13061	18.2
98.97617	19.0
105.01879	17.7
105.07088	26.2
107.08632	38.2
109.02879	25.4
109.10129	43.7
119.08574	22.6
127.03960	39.9
135.08105	18.4
135.11694	20.9
145.04877	23.3
149.13300	27.6
151.14781	22.1
167.07069	47.8
201.16443	16.4
203.07132	19.4
255.06451	62.1
261.58139	20.3
283.06143	33.7
287.05560	85.5
293.28415	34.7
337.07144	25.4
379.08142	21.0
415.11505	28.1
500.34674	21.9
509.09912	20.2
595.18500	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	595.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.3
56.96552	12.8
67.05492	20.2
69.03425	22.3
69.07057	17.0
71.04985	10.6
71.56391	8.6
79.05488	20.2
81.03414	23.2
81.07086	39.8
83.08617	15.9
85.02909	37.1
87.00813	6.0
89.18056	5.5
91.05466	14.3
93.07034	17.0
95.04985	8.0
95.08601	33.0
97.02863	12.3
97.23768	6.2
105.07035	19.1
107.04960	8.2
107.08591	21.7
109.02879	7.7
109.06510	13.6
109.10159	19.8
119.04944	10.5
119.08575	13.3
121.02913	11.2
121.10143	16.1
123.11725	16.2
127.03951	20.0
131.04950	8.5
131.08484	7.8
133.02820	6.7
133.10078	11.2
135.04384	9.9
135.11636	8.0
145.10117	7.9
151.07443	7.3
153.01801	10.1
163.03905	7.3
167.07043	25.9
173.13269	7.5
177.05418	14.2
185.13281	9.6
222.85779	6.9
255.06567	57.9
271.06046	10.1
283.05954	25.7
284.06750	15.6
285.07535	21.7
286.72141	6.8
287.05444	100.0
288.05804	8.5
294.05157	8.3
311.29507	15.6
313.06995	11.6
325.07077	16.6
337.06906	12.5
341.82187	6.4
379.07938	14.0
415.11594	16.8
433.12524	24.6
457.11166	20.3
475.13272	7.3
484.93265	7.3
523.12018	7.3
595.11487	27.2
595.18732	26.4
595.29950	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	595.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.2
56.96577	7.6
57.03428	1.5
57.07070	1.4
64.71024	1.1
67.05508	5.3
69.07079	8.0
79.05511	7.0
81.03401	1.4
81.07052	11.0
84.96049	6.4
88.91988	1.2
91.05493	11.4
93.07058	6.6
95.04971	4.9
95.08600	5.1
98.97595	6.5
105.07037	11.3
107.04977	4.5
107.08598	7.4
109.06517	1.4
109.10157	7.2
109.80326	1.3
116.98634	2.4
117.07020	1.8
119.08587	6.9
121.06538	3.7
121.10162	3.5
124.99155	2.4
128.98598	1.2
131.00145	1.3
131.08597	3.6
133.10185	6.3
135.04442	6.0
135.11714	3.1
136.05261	3.2
137.05972	3.8
143.00165	5.2
144.98099	2.5
145.10146	4.4
147.11710	3.5
148.05174	4.0
149.02466	1.5
149.06058	1.7
151.03925	30.6
151.07556	14.8
155.00127	1.8
159.11711	2.2
161.01257	3.0
161.06013	5.4
161.09616	1.3
161.13251	1.7
162.06773	1.3
162.99126	1.4
163.03885	3.3
165.01849	1.8
173.01221	1.5
173.13293	2.4
175.03938	2.7
175.07463	2.2
177.05510	7.0
179.07072	10.9
181.04958	2.8
191.03491	1.6
193.05067	1.4
199.07599	1.3
201.00687	2.7
201.16403	3.7
203.07066	6.0
203.18028	2.9
204.07654	1.5
207.06541	28.8
208.07329	8.0
211.07625	2.0
213.09103	2.7
215.10721	1.5
225.09061	2.0
239.10780	1.7
241.08469	1.5
246.95850	1.8
247.16988	4.3
251.07059	4.6
253.08707	3.2
253.16063	1.4
257.11774	1.9
264.96939	3.2
267.10144	2.9
269.08176	12.8
281.08160	2.8
282.98071	6.4
283.06104	3.5
287.05554	3.9
297.07553	9.9
298.08405	5.5
300.98975	2.7
309.18503	2.3
313.10715	100.0
313.20508	7.5
314.11020	2.2
329.10349	1.8
331.11908	4.0
331.21762	3.6
333.18484	1.4
351.23270	3.5
357.09729	20.7
361.21851	1.6
379.11765	4.8
379.22729	25.1
577.36853	1.7
595.24567	37.4
595.36993	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	595.1663
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03952	0.2
55.01874	0.3
55.05496	0.2
57.03439	2.0
61.02913	0.5
68.99792	0.4
69.03435	1.2
69.51978	1.1
71.04998	10.2
73.02915	0.3
75.04480	0.3
81.03412	0.5
83.04966	0.4
85.02912	13.2
87.04480	0.3
97.02888	1.1
99.04433	0.2
107.04970	0.2
109.02859	0.4
111.00797	0.6
111.04442	0.4
115.48983	0.2
121.02850	1.8
127.03922	0.8
129.05492	2.9
133.02866	0.4
137.02325	0.5
145.04961	0.9
145.06314	0.2
147.04466	0.4
147.06549	0.9
153.01839	3.1
157.06526	0.3
165.01874	1.4
183.02922	0.4
185.05882	0.3
189.05406	0.2
213.05547	0.9
231.06555	0.5
241.04916	0.8
258.05252	0.7
259.06073	0.3
271.05975	0.7
287.05511	100.0
288.05917	1.0
301.07056	0.3
329.06723	0.2
449.10928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
54.04026	0.9
55.05509	4.2
57.03438	2.0
57.07071	1.2
65.03941	1.3
67.05509	16.2
68.99796	1.1
69.07085	5.2
71.05010	1.1
71.56273	1.8
79.05495	7.0
81.03423	2.4
81.07069	22.8
83.08009	1.0
83.08611	2.1
85.02903	1.2
91.05486	7.6
93.07048	10.2
95.04958	3.3
95.08614	37.5
98.98463	4.0
105.07043	16.7
107.08614	7.5
107.43036	1.1
109.02885	1.7
109.10159	15.5
110.12181	1.0
117.07040	2.4
119.08588	18.1
121.06539	1.4
121.10162	9.6
123.08083	1.1
123.11720	11.1
131.08566	2.6
133.10114	9.7
135.11731	2.6
141.07071	1.4
145.10156	2.5
145.90343	1.0
147.11705	20.8
151.03909	18.9
151.07526	3.8
155.71683	1.1
159.11681	1.7
161.06133	1.2
161.13246	4.5
163.03915	1.7
173.13368	1.1
173.44353	0.9
177.05492	1.1
179.07100	5.0
203.07069	3.5
203.17966	81.2
204.18263	1.5
207.06573	7.5
211.07567	1.2
213.09175	2.1
238.00668	1.0
243.21176	1.0
252.07516	1.0
255.06566	1.4
257.11700	2.0
261.03720	1.6
267.06531	1.7
269.08105	10.0
269.22357	1.0
269.32004	1.0
270.08817	1.1
281.08109	3.5
283.06015	3.7
287.05450	7.7
293.07758	1.3
295.05881	1.6
297.07632	9.5
298.08356	5.2
313.10703	100.0
314.11066	3.4
315.11459	1.1
335.25836	17.5
357.09708	51.7
358.10086	1.1
375.10809	5.2
560.03351	1.0
595.13446	0.9
595.28278	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	595.1659
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
57.03431	0.3
63.28320	0.1
67.01865	0.5
68.96545	0.1
68.99803	0.3
69.03427	0.1
70.73226	0.1
70.73573	0.2
71.04991	1.1
75.04522	0.1
79.05483	0.1
83.04974	0.2
85.02908	1.8
86.08110	0.1
89.03945	0.1
97.02901	0.2
109.02850	0.1
117.03377	0.2
121.02845	0.2
127.03891	0.1
129.01871	0.1
129.05484	0.3
135.04419	1.7
137.02321	0.5
147.06560	0.1
149.58879	0.1
153.01836	5.0
157.06488	0.1
161.02354	0.6
165.01888	0.1
168.59593	0.1
171.02844	0.3
171.04260	0.1
179.03372	0.3
203.03339	0.1
213.05504	0.2
219.06432	0.1
231.06532	0.2
241.04955	0.6
259.05981	0.1
269.04471	0.4
271.05917	0.6
283.06076	0.1
287.05499	100.0
288.05832	1.2
295.06058	0.1
313.07175	0.2
325.07187	0.1
329.06433	0.1
349.06766	0.1
433.11060	0.1
449.10675	0.3
595.15747	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
57.03428	2.6
62.75887	1.8
70.53054	5.4
73.05721	2.2
78.43671	1.9
85.02913	6.4
86.66270	1.9
87.51535	1.9
98.95120	1.9
103.03938	3.1
109.02877	2.5
117.03399	2.1
119.04961	5.5
121.02884	26.2
145.02823	4.6
165.01840	2.1
177.01884	3.6
179.03398	2.8
189.01927	10.8
190.02571	3.0
191.03403	6.4
195.02852	6.0
203.03412	6.9
207.02939	5.8
217.04971	2.5
219.02907	6.1
229.04999	4.2
233.04417	3.4
243.02890	2.7
255.03024	2.2
267.06589	3.3
268.07401	3.9
279.06583	5.6
281.08093	3.2
283.06021	8.1
284.06815	2.2
285.03934	3.8
291.06390	2.3
293.08258	2.4
294.05292	21.6
295.06046	76.7
296.06851	7.0
297.07626	7.9
307.06039	50.7
308.06778	14.2
309.07562	13.7
313.07086	3.6
319.06085	7.5
320.06876	4.5
321.07602	31.0
322.08298	11.4
323.09198	4.3
325.07062	100.0
329.08170	2.7
333.07443	7.4
333.11142	2.2
335.09131	14.5
337.07062	69.8
337.11060	4.8
345.07422	2.5
347.09137	12.0
348.95547	2.1
349.07050	30.4
351.08603	25.1
355.08151	20.7
360.06357	3.2
361.07040	20.7
361.10934	3.1
363.08701	7.1
365.10403	12.4
367.08032	4.8
373.06949	7.8
375.08566	9.9
379.08130	55.5
385.06934	4.4
389.10489	2.6
391.08170	33.5
393.09311	2.7
401.10132	2.7
403.08041	24.2
409.09216	37.2
415.08218	4.3
417.09543	2.6
421.09225	24.1
427.10245	30.9
433.09412	4.0
439.10272	24.7
445.10657	5.4
457.11349	66.6
463.10162	4.0
475.12561	16.6
481.11456	17.9
487.10245	3.9
491.80820	2.1
493.11621	2.2
499.12299	15.9
505.11310	5.4
511.12161	14.3
523.12531	15.6
529.13257	5.0
541.13385	20.3
559.14673	15.1
577.15271	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	595.1659
Annotation	Multiflorin B
Peak:m/z	Relative Intensity
53.03943	1.0
57.03424	2.7
59.89916	0.9
61.02921	1.5
68.99787	1.0
69.03425	5.1
70.92894	2.3
71.04984	3.7
81.03400	3.1
85.02429	1.2
85.02917	19.6
87.04442	1.0
97.02883	4.2
109.02876	3.7
119.04965	2.4
121.02872	10.9
127.03908	2.1
129.05467	2.4
137.02373	0.9
145.02841	1.8
145.05005	1.3
149.02301	1.2
153.01790	2.2
163.03857	2.3
165.01820	5.5
167.03459	1.3
177.01842	1.9
183.02888	0.9
191.03343	1.7
195.02867	4.0
213.05373	2.3
217.04895	1.7
229.84572	1.0
239.07170	1.3
241.04910	1.1
241.21677	1.0
243.02957	1.0
243.06606	1.2
255.06563	2.1
256.07266	3.4
259.06085	1.5
267.06552	4.8
270.05219	1.4
271.06033	31.0
281.08044	2.3
283.06033	57.2
284.06784	20.9
285.07611	1.6
287.05518	52.9
295.06055	21.3
297.07639	8.5
305.07904	1.4
307.06152	1.9
308.06769	1.7
309.07520	11.5
313.07077	100.0
314.07376	1.3
323.05597	1.6
323.09033	10.8
325.06940	4.7
333.07523	1.8
337.03177	1.6
337.07108	27.2
343.08182	2.3
349.07040	3.8
351.08771	4.4
355.08063	2.1
361.06992	2.7
367.08203	15.6
379.08154	11.4
397.09229	16.6
409.09076	1.6
415.10214	22.6
433.11368	63.7
434.11920	1.1
439.10214	2.0
475.12250	4.5
499.11899	1.1
500.12314	1.1
516.12659	1.2
577.15839	1.1
595.16528	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	594.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.5
55.05503	19.7
55.28481	2.8
57.03453	13.8
67.05511	23.3
69.03422	6.4
69.07063	9.2
70.53091	9.8
71.04983	7.6
72.27682	2.7
79.05494	30.0
81.03415	61.2
81.07056	25.7
83.04969	6.2
83.08632	21.5
91.05472	24.7
93.06541	2.6
93.07040	17.5
95.04952	28.6
95.08604	11.6
97.06537	7.2
97.10181	16.0
105.07025	19.1
107.04966	19.5
107.08578	10.5
109.06514	14.4
109.10152	9.5
117.06985	8.0
119.08555	13.0
120.68248	3.1
121.06480	11.0
121.10130	12.7
123.08073	4.4
125.09624	11.6
129.07021	7.8
131.08549	11.1
133.06476	7.3
133.10114	3.9
135.08064	4.4
135.11691	3.2
139.07555	2.7
139.11240	3.4
143.08498	4.1
145.06529	6.6
145.10062	4.0
147.08011	4.3
147.11647	6.9
149.09627	4.9
151.07533	7.1
153.09091	3.6
157.10057	6.4
158.26775	2.7
171.11685	3.5
174.04057	2.8
175.11192	5.8
179.06972	18.2
185.09647	2.9
189.11229	6.8
191.06889	4.6
192.07820	9.7
193.12248	14.1
201.05466	8.7
206.52306	2.7
219.06445	5.0
219.13823	3.2
223.13216	4.5
257.15332	2.9
267.15933	44.2
293.17484	3.4
313.10703	3.9
314.10815	4.6
339.23077	4.7
349.21637	8.5
367.22610	26.7
369.99887	16.4
385.23724	38.4
388.00998	6.0
393.13242	11.4
403.03360	7.5
403.24686	8.9
411.14127	9.8
441.26233	7.9
459.27448	100.0
477.28488	78.8
491.29901	12.6
509.31067	8.2
541.33661	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	593.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76611	2.3
53.03943	5.0
55.01868	2.9
55.05518	14.9
55.76662	2.1
57.03427	3.6
57.07065	7.5
62.57927	2.1
67.05508	35.8
69.03438	20.9
69.07067	41.6
71.05003	6.1
79.05500	19.4
81.03431	17.3
81.07061	100.0
83.04991	4.9
83.08627	21.9
85.02906	35.6
85.06541	29.6
87.00835	17.3
91.05487	9.6
93.07049	37.1
95.05002	4.7
95.08614	87.2
97.02901	16.2
97.06544	5.1
97.10190	13.1
99.04481	7.9
99.08097	17.4
105.01861	10.7
105.07041	15.4
107.08596	43.1
109.02881	9.9
109.10159	61.1
111.08097	9.8
111.11713	9.0
113.09676	3.5
115.03954	3.3
119.08552	13.2
121.10160	34.1
123.08202	2.4
123.11713	35.2
127.03939	23.1
127.11227	5.3
131.08565	3.7
133.10153	9.2
135.11697	22.4
137.06006	3.1
137.13235	16.0
139.11159	7.5
145.02844	2.5
145.04968	7.7
145.10112	3.2
147.11678	8.5
149.13255	30.0
151.14807	6.0
153.12743	6.0
159.02910	4.1
161.13252	6.6
163.14853	15.5
165.12839	3.3
165.16348	2.6
173.13297	3.5
175.14807	5.2
177.05463	3.6
177.16417	10.6
189.16368	3.6
191.17868	2.5
195.17529	3.1
203.17961	5.0
205.19455	3.0
213.18440	2.7
217.19527	4.9
221.19089	4.0
241.05420	2.2
255.06650	3.2
261.25632	3.1
271.06250	2.7
273.25815	11.6
279.26791	7.9
283.38037	2.3
284.06741	12.3
291.26843	38.4
297.27945	9.8
299.09158	42.1
301.07120	3.5
309.27936	30.8
315.28879	2.5
327.29044	17.1
345.09625	20.5
345.29889	7.9
593.24603	3.8
603.85925	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	593.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
56.86430	1.1
60.38493	0.9
65.03933	1.6
67.05511	6.1
69.07066	4.9
69.56068	5.4
69.56480	2.3
76.28973	1.2
79.05492	2.5
81.07066	7.4
83.08612	1.2
85.06559	1.5
88.08556	1.1
91.05489	51.8
93.07047	7.4
95.04977	1.6
95.08622	7.0
97.06533	1.6
99.47134	1.2
103.05495	1.8
104.04942	1.1
105.03398	1.7
105.07043	11.7
107.04993	2.0
107.08597	5.1
109.06527	2.7
109.10183	5.5
115.05481	1.2
115.63311	1.2
117.07031	2.6
119.08601	6.2
121.06528	4.9
121.10152	3.9
129.06976	1.6
131.04939	1.9
131.08549	2.7
133.10130	2.6
135.08083	4.5
135.11717	2.6
137.09669	1.2
140.80475	1.1
141.07031	1.3
143.08600	1.3
145.10162	5.7
147.11684	3.1
151.03911	4.1
157.10175	1.0
159.04436	2.3
159.11748	3.9
165.07030	1.7
166.07829	3.3
167.03387	1.4
173.09772	1.1
175.04013	1.1
175.07472	1.4
175.14842	1.4
177.05472	2.0
178.07816	1.7
179.08603	2.0
181.10146	3.8
189.05426	8.1
191.08675	1.8
194.07318	3.0
195.08168	1.3
199.14771	1.4
201.05495	1.8
201.16365	4.6
203.07098	4.0
203.10628	1.4
207.06528	2.4
208.08966	1.8
209.09636	3.8
211.07683	1.7
211.11319	1.3
213.09161	1.4
219.17386	1.5
237.09125	6.4
239.10736	3.0
243.10205	3.4
249.09116	1.7
251.10692	2.1
253.08618	2.8
255.10298	1.4
265.08633	2.1
267.10193	100.0
279.10214	3.3
285.11273	16.1
295.13391	2.4
309.15063	1.5
313.10666	8.5
321.14941	13.7
323.16574	1.4
339.15955	96.5
343.56583	1.2
355.15421	1.2
357.09647	2.0
375.19308	1.3
593.35370	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
56.82973	0.7
65.03940	2.5
67.05509	4.3
68.05403	0.8
69.07054	3.1
70.14187	2.8
73.28172	0.8
79.05484	2.7
81.07072	6.5
91.05486	57.7
93.07056	6.0
94.70076	0.8
95.04966	1.0
95.08598	4.1
103.05497	1.0
105.03417	1.0
105.07046	10.5
107.08597	6.2
109.10155	4.8
117.07021	1.1
119.08602	7.9
121.06526	2.6
121.10151	4.0
123.11681	1.2
131.04919	1.5
131.08568	3.5
133.10143	3.9
135.08081	4.4
135.11719	2.1
137.68005	0.9
138.43291	1.0
141.06989	1.1
142.07802	1.8
143.08575	2.1
145.10124	3.3
147.08125	1.0
147.11729	2.1
149.09651	1.4
155.08470	0.8
157.10150	2.1
157.74860	1.0
159.04390	1.4
159.11722	2.2
161.09621	7.6
161.13319	1.4
166.07800	2.2
170.82291	0.9
171.11656	1.4
173.13191	1.8
175.11180	2.5
179.08545	2.7
181.10146	2.4
189.05519	6.2
191.08594	2.4
194.07393	2.2
195.08189	1.2
199.14847	1.1
203.06967	1.3
207.08170	1.4
209.09579	2.4
217.15854	2.2
219.17564	0.9
224.08302	1.2
237.09158	3.2
239.10684	3.4
249.09105	1.6
253.08629	1.7
256.22098	0.9
267.10172	100.0
268.10544	1.4
285.11227	13.9
323.16437	38.8
367.28094	1.4
410.12595	0.9
593.25909	1.2
593.34772	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	593.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17521	0.9
53.03924	1.2
54.71741	0.9
55.05505	3.2
57.07055	1.1
65.03946	1.8
67.05509	5.4
69.03433	1.1
69.07075	5.5
70.12749	4.2
73.04771	0.9
74.79295	1.0
79.05492	3.6
81.07058	8.8
81.14108	1.0
83.08618	1.2
84.65430	0.9
91.05483	59.4
93.07045	8.3
95.04971	1.4
95.08614	6.3
98.21449	1.4
103.05474	2.6
105.03420	1.2
105.07032	13.2
105.57389	1.1
107.08619	8.2
109.06474	1.5
109.10146	5.6
115.05491	1.3
117.07034	1.9
119.08606	8.4
121.06527	4.2
121.10127	4.8
122.93000	1.1
123.11732	1.2
128.06163	1.0
129.07022	1.4
131.04907	1.5
131.08559	3.9
133.10135	5.1
135.08061	6.3
135.11676	2.8
137.09666	1.0
141.07051	1.6
143.08586	1.6
145.10147	4.5
146.07205	1.3
146.44351	0.9
147.08104	1.0
147.11694	3.0
149.09671	2.8
149.13277	1.4
151.03975	1.2
155.08583	1.4
157.10153	3.1
158.89510	1.0
159.04411	1.1
159.11719	3.3
159.89217	1.2
161.06046	1.2
161.09641	6.8
161.13234	1.4
163.11133	2.4
163.14827	1.1
165.06999	2.0
166.07799	2.7
167.08508	1.4
171.11639	1.1
173.13293	2.1
173.79601	1.2
175.07539	1.2
175.11235	2.3
175.14812	1.1
177.12778	1.8
178.07784	1.4
179.08543	3.6
181.10139	3.4
183.08052	2.4
185.09630	1.0
189.05481	8.0
189.16431	1.4
191.08485	1.6
193.08066	1.1
193.09889	1.3
194.07256	2.4
199.14885	1.7
201.05399	1.4
201.16336	1.3
203.07047	2.2
203.10649	1.5
205.10239	1.4
209.09662	3.3
211.07510	1.7
211.11240	1.2
215.07036	1.8
215.10728	2.2
217.15932	2.8
219.08073	1.2
219.17424	12.8
223.07503	1.2
225.09084	1.5
237.09146	6.1
239.10779	2.9
243.10133	5.1
249.09062	1.9
251.07027	3.3
253.08414	2.6
265.08646	1.3
267.10193	100.0
268.10593	1.7
279.10107	1.8
281.11923	1.1
285.11237	12.7
291.10187	1.1
305.50943	1.0
313.10770	1.6
321.11896	1.5
321.14877	40.9
323.12662	1.8
323.16425	33.0
339.16031	6.5
382.19208	1.1
457.65442	1.0
575.34918	1.2
593.26178	1.6
593.35504	4.5
604.25287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.276
Annotation	Unknow
Peak:m/z	Relative Intensity
67.91035	0.5
70.21717	1.7
85.22665	0.5
90.63110	0.4
98.21384	0.7
98.27145	0.4
128.28078	0.5
162.34973	0.6
165.95915	0.5
176.99741	0.5
184.26068	0.4
196.10167	0.4
232.13844	0.5
247.61598	0.4
389.17801	1.0
401.17700	0.9
402.18478	1.5
403.19467	3.1
403.24097	0.6
404.20056	1.3
405.20807	2.0
415.19547	0.6
416.20441	0.9
417.16315	1.2
417.21454	4.8
418.21622	1.8
419.22446	4.6
429.21417	0.7
430.17960	1.8
431.18210	9.1
431.23431	0.6
432.19519	2.2
433.24081	10.5
434.24469	1.9
444.19037	0.8
445.19992	12.1
446.21027	5.6
447.21875	5.4
449.23346	0.5
459.21649	3.9
460.22589	18.6
461.23373	16.5
463.21695	0.5
473.23654	2.9
474.24277	1.2
476.26208	2.3
477.21902	0.6
477.27359	0.8
487.25024	1.6
489.26541	1.4
491.25082	1.0
492.25320	1.6
505.21722	5.8
515.24640	0.5
518.23413	0.9
519.23755	1.3
533.25531	52.7
534.25861	1.9
547.26996	0.6
564.23828	0.6
565.28461	0.6
575.26880	0.6
593.27612	100.0
594.27960	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.85375	0.8
69.85783	1.4
69.99305	0.3
76.89721	0.3
77.11824	0.3
98.21194	1.0
127.64001	0.3
127.71500	0.3
149.31456	0.3
235.12450	0.5
374.21262	0.4
375.14648	0.4
389.17737	0.7
390.18527	0.3
401.18060	0.5
402.18524	1.0
403.19205	3.1
404.19952	1.3
405.20761	2.0
415.19165	0.5
416.20599	0.5
417.16354	0.9
417.21567	3.1
418.21707	1.2
419.22501	4.1
430.17780	1.0
431.18231	6.4
431.23422	0.4
432.18774	2.0
433.24225	5.8
434.24722	1.3
444.18964	0.5
444.66266	0.3
445.19910	7.9
446.20776	4.8
447.21741	5.2
459.21585	3.5
460.22565	12.6
461.23260	10.2
463.21310	0.7
473.24039	2.5
474.24661	0.8
476.25922	0.9
487.24808	0.9
489.26440	0.9
491.24442	1.3
492.25385	1.2
493.26239	0.5
505.21902	6.1
518.23218	1.1
519.23975	1.3
533.25537	28.9
534.26379	0.7
561.24609	0.6
564.23267	0.7
565.28058	0.8
593.27612	100.0
594.28058	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	593.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.01867	0.4
55.05502	0.8
57.03435	0.5
57.07059	0.7
67.05502	1.7
69.03424	1.0
69.07072	2.5
69.34928	0.3
69.35261	2.1
71.04963	0.3
71.08669	0.2
73.02905	0.3
79.05499	1.1
81.03419	1.3
81.06573	0.3
81.07059	5.7
83.05001	0.3
83.08628	1.1
85.02911	2.3
85.06550	1.6
87.00803	0.9
91.05475	1.3
93.07053	2.2
95.04996	0.3
95.08609	3.8
97.02889	0.9
97.06528	0.3
97.10193	0.4
99.04451	0.4
99.08084	1.3
105.01874	0.6
105.07044	0.7
107.08610	2.4
109.02888	0.7
109.10167	2.1
111.08067	0.5
111.11753	0.3
119.04951	1.0
119.08577	0.7
121.10133	2.1
123.11694	1.5
125.09667	0.3
127.03902	1.1
133.10114	0.4
134.03630	2.7
135.11699	1.1
137.01347	0.4
137.02342	5.2
137.13222	1.0
139.11165	0.7
141.07001	0.7
145.04956	0.6
147.04417	3.9
147.11693	0.4
149.13278	1.9
151.14766	0.3
153.07002	0.2
153.12813	0.3
154.02583	0.3
163.14871	0.9
167.14299	0.5
169.06552	0.5
175.03836	0.3
177.16406	0.8
181.06502	0.3
183.04440	0.3
186.06725	0.5
195.17493	0.3
197.05991	1.6
199.07512	0.3
213.05467	3.2
213.18497	0.3
214.06236	2.5
217.19551	0.3
224.04860	0.2
225.03220	0.5
225.05473	7.2
225.86285	0.2
229.08612	1.1
231.04997	0.3
242.05782	1.2
253.04968	11.9
255.06491	2.1
257.08151	0.3
269.04453	2.6
270.05240	17.9
273.25787	0.4
279.26761	0.4
284.06729	0.5
285.07590	100.0
286.07990	1.3
291.26874	1.8
297.28024	0.5
299.05936	0.4
299.09119	1.1
309.27856	3.0
327.28998	0.9
345.29785	0.3
447.12518	0.3
568.20386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45117	0.1
52.64167	0.1
55.05490	0.1
58.35995	0.1
65.03959	0.2
66.93674	0.1
67.05482	0.4
68.99792	0.8
69.03429	0.4
69.07050	0.2
71.57809	0.2
79.05473	0.2
81.03416	0.4
81.07068	0.9
83.08636	0.2
85.02901	0.4
85.06520	0.3
89.03898	0.3
91.05475	0.5
93.03392	0.1
93.07023	0.4
95.01310	0.2
95.08598	0.6
97.02863	0.2
97.10155	0.1
105.06982	0.2
107.08603	0.3
109.02877	0.3
109.10146	0.5
111.04445	0.2
111.08096	0.1
117.03378	0.3
119.04956	1.7
119.08568	0.2
121.02889	0.2
121.10132	0.3
123.11694	0.3
127.03912	0.4
127.11293	0.1
131.04916	0.2
133.01590	0.1
135.11668	0.2
137.02333	4.6
138.68155	0.1
142.83167	0.1
145.02853	3.3
149.05980	0.1
149.13220	0.2
155.03354	0.8
167.07043	0.2
169.06476	0.3
171.07996	0.2
177.05478	2.6
181.06487	0.2
181.71040	0.1
187.07613	0.2
199.07484	0.3
207.06392	0.1
227.07059	0.4
230.01833	0.1
255.06514	100.0
256.06885	1.3
283.72955	0.1
284.06717	0.3
285.07681	0.7
287.05499	0.5
291.26691	0.1
299.09109	1.4
309.27667	0.3
414.92657	0.1
593.16235	0.4
593.24829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.01867	0.4
55.05502	0.8
57.03435	0.5
57.07059	0.7
67.05502	1.7
69.03424	1.0
69.07072	2.5
69.34928	0.3
69.35261	2.1
71.04963	0.3
71.08669	0.2
73.02905	0.3
79.05499	1.1
81.03419	1.3
81.06573	0.3
81.07059	5.7
83.05001	0.3
83.08628	1.1
85.02911	2.3
85.06550	1.6
87.00803	0.9
91.05475	1.3
93.07053	2.2
95.04996	0.3
95.08609	3.8
97.02889	0.9
97.06528	0.3
97.10193	0.4
99.04451	0.4
99.08084	1.3
105.01874	0.6
105.07044	0.7
107.08610	2.4
109.02888	0.7
109.10167	2.1
111.08067	0.5
111.11753	0.3
119.04951	1.0
119.08577	0.7
121.10133	2.1
123.11694	1.5
125.09667	0.3
127.03902	1.1
133.10114	0.4
134.03630	2.7
135.11699	1.1
137.01347	0.4
137.02342	5.2
137.13222	1.0
139.11165	0.7
141.07001	0.7
145.04956	0.6
147.04417	3.9
147.11693	0.4
149.13278	1.9
151.14766	0.3
153.07002	0.2
153.12813	0.3
154.02583	0.3
163.14871	0.9
167.14299	0.5
169.06552	0.5
175.03836	0.3
177.16406	0.8
181.06502	0.3
183.04440	0.3
186.06725	0.5
195.17493	0.3
197.05991	1.6
199.07512	0.3
213.05467	3.2
213.18497	0.3
214.06236	2.5
217.19551	0.3
224.04860	0.2
225.03220	0.5
225.05473	7.2
225.86285	0.2
229.08612	1.1
231.04997	0.3
242.05782	1.2
253.04968	11.9
255.06491	2.1
257.08151	0.3
269.04453	2.6
270.05240	17.9
273.25787	0.4
279.26761	0.4
284.06729	0.5
285.07590	100.0
286.07990	1.3
291.26874	1.8
297.28024	0.5
299.05936	0.4
299.09119	1.1
309.27856	3.0
327.28998	0.9
345.29785	0.3
447.12518	0.3
568.20386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
53.65361	0.2
55.01864	0.4
55.05496	1.0
57.07064	0.4
61.99299	0.2
63.71359	0.2
67.05501	1.4
68.99801	0.2
69.03433	1.4
69.07077	2.2
69.32027	1.8
69.32430	0.4
70.06606	0.3
71.04966	0.3
79.05481	1.0
81.03395	1.0
81.07061	4.2
83.08598	0.7
85.02912	2.1
85.06541	1.5
87.00824	1.0
87.04460	0.3
91.05463	1.2
93.07050	1.9
95.04955	0.3
95.08612	3.7
97.02884	0.9
97.06518	0.5
97.10178	0.5
99.04453	0.6
99.08107	0.8
105.01847	0.6
105.07037	1.0
107.08589	2.1
109.02872	1.0
109.06496	0.3
109.10160	2.3
111.08079	1.0
111.11693	0.5
119.04945	1.2
119.08571	0.9
121.06561	0.3
121.10132	1.4
123.04490	0.3
123.11745	1.1
125.09628	0.3
127.03918	1.4
127.11272	0.3
131.08568	0.2
133.10115	0.4
134.03627	2.8
135.11690	1.1
137.02339	6.1
137.13258	0.7
145.04971	0.3
145.10146	0.3
147.04408	4.8
147.11635	0.4
149.13263	1.4
159.02901	0.4
159.11604	0.4
161.13220	0.4
163.14796	0.8
169.06544	0.5
171.11603	0.3
175.03900	0.3
177.05524	0.4
181.06468	0.3
183.04279	0.3
186.06821	0.4
189.12761	0.2
191.17926	0.3
195.17484	0.3
197.05978	2.1
207.06505	0.3
213.05502	3.4
213.18491	0.4
214.06258	3.1
225.05470	7.3
229.08646	1.2
241.04994	1.0
242.05728	0.9
253.04976	9.6
255.06529	1.5
257.08124	0.4
267.64655	0.2
269.04431	3.0
270.05225	18.0
271.05875	1.1
273.25757	0.3
284.06696	0.4
285.07581	100.0
286.07956	1.0
291.26776	1.4
297.27884	0.5
299.02310	0.5
299.05511	5.3
299.09061	1.4
309.27859	2.2
327.29025	0.6
340.42935	0.2
345.09201	0.3
447.12616	0.4
461.11234	0.3
519.59515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95528	0.2
69.03408	0.6
69.26025	2.4
79.05444	0.3
81.03414	0.8
81.07028	0.3
83.81529	0.3
85.02914	0.5
86.09708	0.4
87.00826	0.4
92.28102	0.2
95.04982	0.4
97.02880	0.5
107.04879	0.4
108.02078	0.4
109.02898	0.6
117.01868	0.2
118.04122	0.3
120.08109	0.6
127.03906	1.1
133.02824	0.3
137.02319	0.5
137.05980	0.9
148.05148	0.3
149.02341	0.5
151.03915	0.3
152.01007	0.3
153.01813	1.1
163.03864	0.3
164.04691	0.8
165.01915	0.5
166.02625	0.3
167.03400	0.6
168.05794	0.4
169.06459	0.4
177.05461	0.6
178.02686	0.4
181.05089	0.4
185.06012	0.5
189.05484	0.6
191.03169	0.3
196.03642	0.9
196.05238	0.5
197.04349	0.4
197.05963	0.7
198.06750	0.3
206.02214	0.3
207.06546	0.6
211.07646	0.3
213.05545	1.5
213.08896	0.3
214.06259	0.8
217.04976	0.7
220.03757	0.5
225.05444	0.5
226.06306	0.3
227.03481	0.4
227.06998	0.9
228.07802	0.3
229.05115	0.3
229.08592	0.6
241.05009	2.0
241.08568	0.4
242.05734	1.2
243.06528	0.3
252.04242	0.3
253.04883	0.6
255.02850	0.4
255.06555	0.9
256.07397	2.2
257.05304	0.2
257.08163	1.2
259.06000	0.6
269.04474	1.8
269.08069	1.0
270.05197	1.9
271.06140	0.5
273.07611	0.6
274.08456	0.3
282.05246	0.5
283.02478	0.5
283.06021	0.5
284.06812	4.3
285.07574	4.7
286.04782	0.5
287.05527	3.7
297.03885	0.9
298.04791	0.9
299.05585	1.5
299.08618	0.3
301.07123	2.0
312.06290	5.1
313.07056	2.5
315.04999	4.2
316.05725	0.6
325.10596	0.4
329.06607	5.0
330.07336	11.4
331.07501	0.3
345.09705	100.0
346.09937	1.6
381.39319	0.3
593.14594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
57.07083	3.9
66.17876	2.2
67.05531	2.8
68.22684	2.2
69.03423	2.7
69.07057	5.0
69.70317	15.3
71.08616	2.6
77.67185	2.3
79.05489	5.2
81.03434	2.4
81.07053	9.7
91.05497	18.6
92.05759	2.6
93.07034	8.2
95.08612	6.2
98.20837	4.9
105.07030	5.4
107.04980	2.8
107.08604	6.6
109.06491	3.1
119.08615	4.7
121.06530	8.0
121.10081	2.6
124.62689	2.3
135.11636	3.9
136.05209	3.4
147.04353	3.5
147.08061	6.1
148.05209	3.1
149.05989	8.0
151.07550	10.5
161.02289	3.3
163.07588	3.6
164.04752	5.6
167.07068	9.5
169.10098	2.8
177.05521	14.2
179.07004	14.6
185.06024	2.6
189.09038	6.4
191.07045	56.2
191.08743	3.6
192.07811	96.7
195.08035	3.9
198.98425	2.6
201.09111	9.7
203.07051	51.0
205.04970	3.3
207.06523	9.2
209.08130	5.1
211.07504	5.0
213.09106	7.9
227.07167	4.3
229.08606	16.2
243.10150	14.0
257.07898	2.3
267.10114	15.3
268.10535	6.3
313.27164	2.7
323.12753	4.6
323.16400	3.3
337.14307	2.8
339.15948	6.4
349.10748	5.3
367.15494	45.6
381.13486	6.0
411.14398	100.0
515.24219	8.5
532.24493	4.6
592.26807	7.5
593.27313	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	592.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.2
55.05497	10.8
57.07092	13.7
67.05518	34.0
69.07065	16.3
71.08636	8.1
71.58720	5.7
72.43999	7.2
79.05505	18.0
81.07062	30.5
91.05479	24.0
93.07044	26.7
94.07429	7.0
95.08612	20.2
97.00983	7.0
105.07005	20.0
107.08613	20.2
109.10156	19.1
117.07049	9.4
119.08590	16.4
121.10156	14.0
131.08659	6.6
133.10211	8.4
135.11664	11.7
143.10667	6.1
145.10167	10.8
147.11703	6.5
161.02383	7.5
161.05984	19.0
175.07449	6.4
181.06451	10.4
183.08035	6.2
185.06012	7.1
187.07550	10.4
191.07103	11.0
199.07620	6.7
199.48361	5.7
203.07043	100.0
213.09117	7.8
225.09117	14.7
227.07082	7.1
229.08604	7.3
229.12186	7.4
243.10199	27.3
245.11711	8.5
255.13913	43.3
261.22009	6.6
313.27365	19.8
314.27783	8.5
325.69400	6.3
327.19510	5.7
332.13544	7.6
335.25760	10.7
339.15842	7.0
415.15277	19.3
445.16852	7.7
447.17917	16.0
471.24695	7.0
483.21576	5.7
497.23492	7.8
515.24121	14.8
547.26819	17.0
592.25726	17.0
592.39026	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78548	1.5
51.49366	1.7
55.01869	2.2
55.05523	2.6
65.03944	2.3
67.05487	4.5
69.03409	3.8
69.07059	6.9
69.23426	6.1
69.23844	10.8
72.40165	1.6
73.06551	7.5
79.05487	6.7
81.03401	2.0
81.07040	8.1
91.05497	14.8
93.07046	24.8
95.01352	2.2
95.04971	6.5
95.08582	2.7
95.78301	1.4
99.04443	2.1
99.08152	1.8
99.62461	1.7
102.86349	1.8
105.07030	7.0
107.08592	12.4
109.06508	3.4
109.10157	6.2
117.07021	2.5
119.04948	2.6
119.08588	4.7
121.06522	2.7
121.10146	3.4
129.07031	2.2
131.04939	2.4
131.08577	2.4
133.10150	3.1
135.04449	2.1
135.08072	2.2
135.11699	16.9
141.06956	2.4
143.08505	2.6
144.18950	1.6
145.06439	2.5
145.10146	1.8
147.04448	3.2
147.08037	4.9
149.05933	2.8
151.07538	5.1
153.05540	1.6
155.08565	3.1
159.08083	6.3
160.05205	2.2
161.02344	6.4
161.05963	5.1
163.07590	3.3
165.07059	2.4
167.03419	2.3
167.07062	1.9
169.10173	3.6
171.08041	2.3
173.09602	2.8
175.07626	3.1
177.05446	6.5
179.07004	5.7
179.08507	2.9
181.06491	6.3
182.07205	2.8
183.08018	5.3
185.06090	2.9
185.09641	3.5
187.03938	4.5
187.07541	8.5
188.08304	1.9
189.05487	5.3
189.09099	3.9
191.07063	11.5
192.07828	14.9
193.10190	2.6
195.08086	6.4
195.11617	2.2
196.08791	3.9
197.09566	2.8
198.06856	2.2
199.07468	2.2
201.05426	2.0
201.09143	4.8
203.07047	100.0
211.07591	4.4
213.09113	11.4
225.09119	7.9
226.09877	2.3
227.06995	5.1
227.10756	2.6
227.14297	5.7
229.08583	9.0
239.10788	2.3
241.08574	5.7
243.10242	23.3
253.08623	5.4
253.15794	3.6
255.13748	4.9
263.14343	2.8
267.10226	3.7
268.10611	2.8
269.08075	4.0
277.12549	1.7
281.12451	2.0
281.15274	8.2
297.11566	2.5
313.17957	13.1
321.14435	1.9
323.09030	2.9
324.16663	3.4
325.10742	2.8
339.15771	4.4
367.15417	4.7
381.13397	2.5
397.14233	2.5
397.19669	1.8
411.14539	9.8
415.15369	22.0
429.16864	3.9
433.16443	6.1
445.16324	4.3
447.18103	22.4
465.20276	2.0
483.21631	13.7
487.24826	4.7
488.25034	5.4
497.23056	5.1
515.24298	50.4
532.23694	2.1
547.26477	4.0
592.26270	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	592.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04290	1.1
55.05499	1.9
57.03423	1.0
64.63746	1.0
65.03941	1.0
67.05481	1.4
68.05831	0.9
69.03429	2.5
69.07069	1.9
70.06596	1.3
71.09196	2.3
73.02927	1.2
79.05513	1.9
80.40171	1.3
81.03420	1.2
81.07050	3.2
82.07395	1.3
83.04987	1.5
84.48905	0.9
85.02895	4.5
85.06567	1.0
86.06059	3.1
86.09700	1.1
91.05453	2.7
93.07034	3.2
95.04964	1.5
95.08597	2.8
97.02901	2.4
97.56844	1.0
98.09732	1.3
98.87942	0.9
105.07017	1.4
107.04957	1.6
107.08575	2.7
109.06517	1.5
110.10484	1.0
111.04458	1.6
116.10738	2.5
119.08577	2.0
121.06514	2.3
121.10142	1.3
123.11678	1.3
124.05260	1.5
127.03908	1.3
133.06511	2.2
135.04417	3.5
136.05194	1.7
137.02312	1.3
137.06024	1.1
139.07542	7.0
145.10129	1.4
147.04391	1.8
149.02357	3.3
151.07542	7.7
159.04376	5.6
161.06029	2.3
162.06772	1.2
163.03885	2.8
164.04659	1.0
165.09146	2.1
167.03403	2.1
167.07031	9.8
171.04436	5.4
173.05844	1.0
177.05470	7.3
178.06198	5.7
179.07045	22.8
187.03958	1.7
189.09090	2.8
191.07076	11.5
192.07828	27.6
193.08537	3.1
195.08101	1.9
203.06999	5.3
207.10056	1.5
213.09137	11.3
214.17999	3.7
219.06621	1.3
221.08060	4.4
226.14406	1.8
231.10141	11.4
241.08730	1.9
255.06105	1.4
259.09692	2.7
270.05191	1.4
282.05093	1.4
283.05496	1.5
285.07568	7.3
310.04767	1.3
323.09076	1.2
328.05429	2.4
329.06284	1.7
338.07858	1.8
341.09982	1.5
343.08096	14.4
344.08466	27.7
345.09378	2.7
353.10181	4.5
395.14853	7.9
413.15976	100.0
414.16129	3.1
494.22281	4.5
592.29980	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	591.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.05517	13.7
57.03439	10.6
57.07080	39.6
65.03949	3.2
67.05508	60.3
69.07071	18.0
70.70238	1.5
71.08637	27.5
79.05501	31.3
81.07063	60.8
83.08631	14.1
85.10183	17.4
89.06036	1.8
91.05482	18.9
93.07053	47.6
95.04972	2.7
95.08607	62.3
97.06538	2.7
97.10165	6.4
98.21508	4.8
105.07040	14.7
107.08595	27.1
109.10168	24.8
117.07039	7.7
119.08587	13.2
121.10149	24.0
123.11721	13.8
131.08585	13.5
133.10117	14.1
134.34845	1.9
135.11710	17.1
137.13225	4.3
145.10101	10.8
147.11703	6.9
149.13271	12.7
151.14824	1.6
153.12604	1.8
157.10057	1.6
159.11700	7.9
161.13252	7.6
163.14816	8.8
165.12769	1.9
173.13277	11.9
175.14836	3.0
177.16379	2.0
185.13284	1.8
187.14848	5.0
233.22615	3.9
239.23767	6.7
243.21106	13.2
250.27177	1.5
257.24686	2.8
261.22162	56.1
279.23303	2.3
289.82492	1.6
298.27551	1.8
313.27383	100.0
313.98721	1.4
317.24890	12.8
335.25833	71.8
340.54892	1.6
475.99179	1.9
499.45105	2.3
573.48718	18.6
591.49835	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	591.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14913	2.0
53.03943	7.4
55.01867	3.7
55.05510	16.1
57.03437	3.8
57.07078	7.6
61.02929	4.3
65.03940	1.6
65.40527	1.9
66.64363	1.6
67.05514	19.6
68.99769	2.0
69.03435	25.3
69.07071	27.6
70.78942	4.9
71.04985	4.0
79.05495	16.2
81.03430	17.7
81.07061	100.0
81.96663	1.7
83.04979	6.1
83.08624	9.5
85.02905	43.2
85.06562	12.5
87.00835	21.6
91.05492	10.0
93.07047	24.9
95.04976	8.7
95.08611	49.4
97.02900	18.3
97.06529	5.0
97.10189	5.7
99.04480	9.9
99.05039	1.8
99.08096	5.6
105.01883	19.0
105.07038	21.2
106.99110	1.9
107.08600	23.6
109.02878	20.6
109.06536	8.0
109.10169	30.7
111.04430	3.1
111.08084	7.3
111.11729	6.1
113.05991	1.9
117.01793	1.7
117.07013	3.5
119.08597	14.3
121.06502	3.2
121.10175	17.1
123.08110	2.1
123.11720	14.6
125.09698	2.6
125.13222	1.9
127.03929	41.1
127.07573	4.2
127.11176	5.5
129.01842	2.0
131.08557	8.5
133.10126	8.2
135.08055	3.2
135.11693	18.5
137.09619	2.6
137.13278	18.7
139.11258	2.1
145.04955	7.3
145.10135	8.2
147.11734	11.5
149.13310	9.9
151.11290	3.1
151.14789	2.5
153.12770	8.5
155.10663	2.6
155.14325	4.0
157.10077	2.4
159.02954	4.1
159.11732	7.0
161.13292	5.8
163.11249	3.7
163.14841	2.6
165.12772	7.8
167.07233	1.8
173.15396	5.3
175.14890	2.9
187.14868	3.6
189.10820	2.2
189.16374	2.2
191.17967	2.2
201.16466	2.2
213.03900	2.2
215.17914	1.9
231.04993	12.0
271.05975	4.5
271.24185	6.1
277.25302	4.2
281.08817	2.0
289.25235	19.1
295.26331	7.3
301.07150	2.5
307.26324	47.2
325.27261	16.5
343.08118	4.8
343.28476	10.5
385.18573	5.3
403.19318	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82785	0.1
55.01871	0.2
55.05508	0.2
67.05504	0.4
69.03436	0.4
69.07066	0.5
69.36181	1.2
75.74549	0.1
79.05509	0.2
81.03415	0.2
81.07057	1.1
83.08595	0.2
85.02924	0.3
91.05514	0.2
91.20536	0.1
93.07034	0.6
95.01261	0.2
95.04974	0.3
95.08611	0.8
95.52309	0.1
95.97556	0.1
97.02910	0.2
97.10204	0.2
105.07043	0.3
107.08628	0.3
109.02901	0.2
109.10174	0.5
111.08040	0.2
119.08597	0.3
121.10144	0.4
123.00797	0.4
123.11708	0.4
125.02357	0.6
127.03915	0.3
131.08472	0.2
133.02834	0.2
135.11700	0.3
137.02367	1.8
137.06001	0.8
138.03143	1.3
145.05060	0.1
145.82736	0.1
147.11723	0.2
149.13264	0.3
151.00304	0.5
151.03899	0.7
152.01041	0.3
153.01849	6.7
159.11697	0.2
161.02348	1.4
162.03137	29.7
163.03783	0.2
163.11058	0.2
165.01869	0.2
166.02626	2.1
167.03439	0.2
175.03891	0.3
176.04659	0.4
177.73653	0.1
178.06238	0.3
178.91005	0.1
183.04510	0.4
184.03665	0.5
185.05901	0.2
189.01851	0.2
191.11375	0.1
193.05008	0.2
197.05954	0.2
199.03909	0.3
211.03903	0.6
212.04692	0.4
213.05418	0.3
214.06290	0.7
224.04564	0.2
225.05603	0.2
226.06268	0.1
227.03421	1.2
230.05800	0.3
241.04965	0.2
242.05763	3.3
253.05005	0.5
253.07790	0.2
254.05754	1.3
255.02901	1.4
255.06540	0.2
256.03738	0.2
257.04495	0.2
258.05283	0.3
269.04541	0.3
270.05252	4.0
281.04327	0.3
282.05258	0.2
283.02380	1.5
283.06018	0.9
285.04007	1.0
285.07605	2.5
287.09140	0.3
289.25330	0.2
296.03174	0.6
297.03976	0.4
298.04758	2.6
300.06320	0.3
307.26379	0.6
310.04764	0.5
311.05573	2.6
313.03448	1.3
313.07101	2.3
315.08563	0.3
325.27451	0.3
327.04868	0.3
328.05804	24.5
329.06140	0.3
343.08148	100.0
344.08508	1.2
591.13611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
53.59844	2.7
55.05506	14.5
55.05756	2.9
57.03433	12.8
57.07080	32.9
67.05508	20.2
68.71088	2.8
69.07056	8.4
71.00946	3.9
71.01296	3.8
71.08633	24.4
79.05487	13.8
81.03426	60.8
81.07069	23.6
83.08628	17.2
85.10179	14.1
91.05473	15.4
93.07055	15.0
95.04971	19.0
95.08627	19.3
97.10176	4.8
105.07037	13.2
107.08590	5.4
109.10142	12.9
111.00443	3.2
111.08081	6.7
119.08592	10.7
121.10179	5.0
121.73346	3.1
123.11711	5.2
129.07025	8.0
131.08595	7.4
133.10133	8.9
145.10141	5.0
147.08055	4.2
147.11684	7.5
149.09656	4.6
157.10141	10.7
193.12189	26.1
211.13301	3.7
232.28171	3.5
260.20868	6.6
267.15915	100.0
269.50504	3.6
313.27371	96.4
314.27789	5.3
453.30472	3.1
505.38889	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	591.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
57.03408	0.2
59.84303	0.1
67.05503	0.5
69.03426	0.3
69.07079	0.9
69.34965	0.6
69.35388	0.7
70.31986	0.2
79.05486	0.3
81.03416	0.3
81.07059	1.3
83.08615	0.2
85.02908	0.5
85.06535	0.3
91.05482	0.5
93.07058	1.0
95.04959	0.4
95.08607	0.6
96.19690	0.1
97.02889	0.3
99.10802	0.2
100.39184	0.2
105.07015	0.4
107.08596	0.5
109.02873	0.2
109.10156	0.7
111.08080	0.2
111.11684	0.2
119.08633	0.3
121.10142	0.5
123.00770	0.4
123.11709	0.2
125.02345	0.5
127.03892	0.3
133.02904	0.2
133.10153	0.2
135.11650	0.3
137.02356	1.8
137.05972	0.9
138.03133	1.6
145.10185	0.2
147.11664	0.3
149.13277	0.3
151.00252	0.4
151.03893	1.2
152.01065	0.3
153.01840	7.0
159.11649	0.3
161.02351	1.6
162.03130	30.1
163.03618	0.2
165.01698	0.2
166.02647	2.3
167.14447	0.2
169.08044	0.2
176.04684	0.4
183.04520	0.2
184.03644	0.5
184.05197	0.3
185.06065	0.2
186.06808	0.2
189.01791	0.2
193.04939	0.2
199.03912	0.3
211.03897	0.7
212.04666	0.4
213.05522	0.4
214.06345	0.3
224.04494	0.2
225.05481	0.4
227.03398	1.0
239.03629	0.2
241.04993	0.3
242.05754	3.2
253.04865	0.3
254.05717	1.2
255.02870	1.7
255.06659	0.2
258.05231	0.3
267.02975	0.2
268.03635	0.3
269.04422	0.4
269.07935	0.2
270.05234	4.0
281.04337	0.2
283.02402	1.7
283.05984	0.6
285.03964	0.9
285.07593	2.6
287.09137	0.4
289.25345	0.3
295.26230	0.3
296.03079	0.7
297.03964	0.8
298.04724	2.7
300.06387	0.2
307.26404	0.9
310.04623	0.6
311.05511	2.7
313.03485	1.3
313.07092	2.3
315.08591	0.3
327.05249	0.3
328.05783	26.6
329.06207	0.2
343.08133	100.0
344.08575	1.7
455.86893	0.2
566.59302	0.2
591.13141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82496	1.0
60.74475	1.3
61.89025	1.2
67.05501	1.9
69.03432	3.5
69.07040	2.3
69.78523	3.9
69.78920	2.4
70.06573	1.3
79.05491	3.6
81.03413	2.1
81.07066	2.6
85.02900	5.6
91.05496	1.5
93.07040	1.6
93.39223	1.1
95.04958	1.3
97.02915	2.4
105.07038	2.4
107.04951	8.1
107.08614	2.9
109.06491	1.3
109.10164	2.7
115.05423	2.2
117.07013	1.3
119.08633	1.8
121.06470	1.4
121.10159	2.0
122.10505	1.3
124.05245	2.2
127.03902	2.4
129.80139	1.1
133.10107	2.5
135.04425	2.8
135.11673	1.9
139.07526	5.2
145.06520	1.6
148.05183	2.5
149.02313	1.8
149.13501	1.2
151.07542	9.8
157.10143	1.5
159.04427	3.5
161.05937	2.9
162.06738	1.8
163.03923	1.6
167.07080	4.8
173.05952	3.5
177.05511	3.9
179.07051	32.2
181.04974	1.2
183.08046	1.9
187.07567	3.1
191.07040	13.9
192.07800	11.2
193.08600	2.5
201.05489	13.6
203.17960	2.1
211.07632	7.2
215.07063	2.2
219.06552	9.3
225.39391	1.3
229.08591	9.0
306.25192	1.6
341.09805	1.5
343.07950	1.4
365.13800	1.7
393.13376	5.6
398.42218	1.3
411.14426	100.0
428.14240	3.3
590.32019	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	589.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.01870	6.0
55.05518	15.6
55.37939	1.4
57.03431	6.9
57.07073	1.9
59.05001	5.6
60.18863	1.5
61.02922	2.7
62.36633	1.6
64.19713	1.4
67.05507	10.1
67.96633	1.5
68.99796	1.6
69.03437	24.2
69.07074	100.0
70.06577	2.3
71.04979	4.8
73.02904	2.5
78.32032	1.4
79.05501	12.0
80.83761	1.5
81.03421	20.7
81.07059	27.7
83.08607	5.7
85.02908	48.1
85.06539	5.4
86.80526	1.4
87.00829	16.8
88.62437	1.5
91.05470	14.5
93.07050	27.0
94.99747	1.9
95.04969	3.3
95.08608	17.1
97.02899	13.8
97.06525	7.5
97.10170	5.1
99.04459	8.6
99.08109	3.7
105.01872	11.6
105.07046	32.5
107.08598	18.1
109.02894	18.9
109.10160	15.7
111.08075	3.2
111.11722	29.2
117.07032	3.9
119.04910	1.6
119.08582	23.4
119.84331	1.9
121.09299	2.8
121.10152	39.1
123.11713	8.7
125.09605	2.2
127.03938	26.3
129.01875	2.0
129.12767	2.1
131.08592	8.4
133.10143	70.4
135.08037	2.3
135.11670	4.6
137.13289	3.6
139.11186	28.3
142.07814	2.9
143.08540	3.3
145.04971	7.4
145.10123	12.8
147.11702	9.4
149.13298	16.2
151.11150	4.0
153.05530	1.7
157.10103	6.7
157.12248	5.7
159.02864	7.3
159.04295	1.8
159.11707	12.5
161.13258	3.2
163.14774	2.0
167.14325	2.7
169.05103	1.6
171.11652	2.3
173.13249	4.5
175.11201	13.3
175.14877	4.0
176.03886	1.6
177.16393	4.6
181.04994	2.3
185.13211	2.7
185.15399	1.8
187.14833	2.2
195.17426	3.1
199.14850	2.9
203.07190	2.0
211.16991	3.3
213.16458	2.9
213.18454	4.2
229.19362	1.8
231.05083	3.1
241.08513	2.3
259.09595	4.8
269.22800	3.3
275.23715	16.6
277.10794	2.7
287.05539	5.1
287.23715	11.7
293.24823	5.8
305.24805	17.3
323.25894	9.9
341.26843	10.6
381.13226	1.9
409.12680	4.5
427.14020	8.8
589.19446	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	589.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01866	1.0
55.05505	1.6
55.45953	0.4
57.03444	3.0
61.02930	2.3
67.05515	3.1
69.03435	9.9
69.07076	3.2
69.45358	1.4
69.45773	2.2
71.04988	1.7
73.02930	2.7
75.04476	0.6
78.40745	0.5
79.05502	2.2
81.03415	5.4
81.07066	7.9
83.04982	1.1
83.08607	1.3
84.08173	0.4
85.02910	15.8
85.06564	3.2
87.00824	2.1
87.04470	1.3
90.23528	0.4
91.05462	2.3
93.07048	5.2
95.04977	5.5
95.08622	5.6
97.02906	5.6
97.06517	0.8
97.10144	0.5
98.97553	0.5
99.04471	3.6
99.08103	1.6
102.05559	1.1
105.01848	0.6
105.07032	3.1
107.08611	3.7
108.03688	0.4
109.02885	3.4
109.06502	1.1
109.10169	3.9
111.08073	1.6
111.11765	0.5
115.03983	0.7
119.08598	2.8
119.65759	0.4
121.06515	0.5
121.10133	3.3
123.08019	0.6
123.11726	2.1
125.09670	0.5
127.03912	6.3
127.11256	0.6
129.06987	0.5
131.04912	0.6
131.08572	1.2
133.10132	1.9
135.08058	1.1
135.11693	1.8
137.05998	3.2
137.09592	0.7
137.13165	0.7
139.11194	1.3
143.08609	1.0
145.04976	2.0
145.10167	2.6
147.04451	1.2
147.11694	1.4
149.05899	0.5
149.09587	0.5
149.13208	1.0
151.11148	0.8
153.12827	0.7
157.10138	0.6
159.02887	1.2
159.04482	0.4
159.11746	1.5
161.05962	0.5
161.13318	1.3
163.11185	1.6
163.14775	0.5
165.12759	0.7
173.13300	0.9
175.07565	1.0
175.14848	1.0
177.16379	1.0
181.12193	0.8
187.14822	0.9
188.50941	0.5
191.07074	1.9
195.17502	1.0
199.14806	0.9
211.16748	0.5
213.16512	0.6
213.18532	1.6
231.04974	0.7
249.05777	0.8
251.07016	0.9
263.06973	0.9
264.04236	2.0
264.07693	0.7
265.04990	0.6
265.08783	0.5
266.05664	0.7
267.06622	0.9
267.10123	0.6
269.22595	0.9
275.23785	0.6
276.04224	1.6
276.07993	0.5
277.04858	1.6
277.08447	1.1
279.06570	5.1
279.09763	0.9
280.07251	1.3
283.05927	0.7
287.23724	1.9
289.05200	0.5
289.08466	1.0
291.06512	3.9
291.09961	0.8
292.07455	0.9
293.04388	1.9
293.08057	1.0
293.24744	0.9
295.06134	1.0
295.09692	0.7
297.07681	0.6
303.06512	1.3
305.04568	1.4
305.07959	0.7
305.24762	5.8
306.05505	0.6
306.08832	1.3
307.06021	3.0
307.09711	1.5
308.06897	2.2
309.04279	0.7
309.07526	3.0
311.09409	1.0
311.12784	0.9
313.07266	0.6
316.07553	0.6
317.08173	1.0
319.06003	1.3
319.09598	1.0
320.06705	2.2
321.04074	0.8
321.07590	3.9
321.11157	1.1
322.08240	0.8
323.09186	1.4
323.12720	0.9
323.25830	3.6
324.06467	0.7
327.08722	1.4
329.04620	1.0
331.09668	0.7
333.07544	1.1
333.11096	0.6
334.08374	3.2
335.09247	2.3
337.07114	1.0
337.10754	1.6
339.08481	3.0
339.12207	0.5
341.26877	3.5
345.07578	1.2
346.08328	1.0
347.09241	1.7
349.10730	8.7
351.08597	3.2
352.09338	1.0
361.06967	1.1
363.08533	3.4
363.12363	0.7
365.10257	1.1
366.10803	0.7
367.11911	5.4
376.09448	3.3
377.10260	5.5
378.11157	4.6
379.07724	1.1
379.11966	1.0
381.09683	2.0
381.13840	1.0
391.11890	4.7
394.10413	1.0
395.11206	4.7
396.12000	7.1
397.08710	1.1
397.13315	0.9
399.14389	0.7
409.12827	12.8
411.10489	0.5
412.11591	1.5
427.13928	100.0
428.14352	1.7
469.14990	0.9
479.47128	0.5
566.59924	0.5
571.18066	1.0
571.30750	0.6
589.18854	12.6
589.26508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01871	3.1
55.05523	1.3
57.03430	1.4
61.02924	2.2
67.05498	3.4
68.99781	1.0
69.03430	12.6
69.07066	2.0
69.34230	1.9
69.34637	5.3
70.06570	1.1
71.04994	2.6
73.02922	2.1
78.43435	0.8
79.05502	5.2
81.03419	8.7
81.07063	6.9
81.88299	1.0
83.04958	2.0
85.02912	20.7
85.06541	3.5
87.00838	8.0
87.04471	1.7
88.23626	0.8
90.47813	0.9
91.05491	5.3
93.07033	4.3
94.04192	2.3
95.04964	2.2
95.08603	4.1
97.02901	7.2
97.06528	1.8
98.20696	2.0
99.04465	4.1
102.05549	2.5
103.05440	1.5
105.01888	4.9
105.07049	7.0
107.04941	1.1
107.08591	3.9
109.02868	10.5
109.06498	1.7
109.10158	3.8
111.08077	1.7
115.03932	1.1
115.05473	3.9
117.01806	1.1
117.07037	2.7
119.04818	1.0
119.08571	4.4
121.10164	3.1
122.03658	8.9
123.08067	1.0
123.11659	2.1
127.03931	15.6
128.06165	0.9
129.01859	1.9
129.07027	1.9
131.04922	1.4
131.08589	1.9
132.05684	1.7
133.06497	4.7
133.10124	2.8
135.11760	1.4
137.05981	100.0
141.06926	1.4
144.05737	1.0
145.04962	4.1
145.06506	1.0
145.10141	1.4
147.02898	1.3
147.04367	2.4
147.08047	3.6
149.06009	2.2
159.02913	4.5
159.08052	3.1
159.11703	2.0
160.05222	2.8
161.06000	16.2
175.07555	28.5
177.05487	1.2
179.07060	1.8
187.07559	6.9
188.45488	1.1
189.09061	1.5
190.07864	1.2
191.06981	2.1
191.08582	7.2
192.09129	1.0
199.07567	8.8
202.07826	2.6
203.06952	1.5
203.08601	7.5
204.09323	1.0
218.07274	1.3
219.08092	11.0
220.08823	2.8
231.04890	1.5
231.08061	7.4
232.08714	1.5
236.08400	2.2
237.09106	1.1
241.08644	0.9
247.07590	5.2
248.08376	4.8
249.09270	1.3
251.10690	13.1
259.07568	5.3
260.08282	2.5
261.08987	1.7
263.10684	4.3
264.07706	2.1
265.08487	1.1
269.22418	1.1
275.10577	1.1
276.07816	3.2
277.08572	2.5
279.06799	1.8
279.10159	9.1
280.11020	1.5
283.87698	1.1
287.05429	1.5
287.23825	1.5
291.06964	1.6
291.10156	13.1
292.10971	1.3
293.08069	1.9
295.09863	1.2
295.13077	1.1
296.10455	1.9
305.24652	2.3
308.10266	1.3
309.11307	1.0
311.09167	2.2
311.12772	31.3
321.11169	2.0
323.12790	21.6
323.25861	2.6
325.06213	0.9
335.12759	2.8
341.14020	1.2
353.14453	1.2
361.57727	1.2
363.08224	1.2
367.11844	1.3
381.13632	1.5
395.11108	1.8
396.12061	1.5
409.13083	1.2
426.24316	1.1
427.13904	17.8
427.25223	1.9
433.36740	1.3
561.19604	3.3
589.26196	1.5
601.08594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.2
55.75631	0.9
57.03447	0.9
65.03944	1.6
67.05517	3.2
69.03429	4.2
69.07065	1.6
69.56110	5.7
71.05001	1.0
71.36649	0.7
73.02925	0.9
81.03431	3.8
81.07079	1.2
85.02901	4.6
87.00851	1.7
88.97807	0.7
91.05489	80.2
92.54659	0.8
95.08698	1.0
97.02915	2.5
98.20770	1.6
99.04485	1.0
103.05493	4.5
105.03426	3.5
105.07042	6.9
107.08614	1.3
109.02922	3.8
115.05499	1.3
117.07060	1.8
121.10197	1.0
127.03986	3.1
128.06319	1.1
129.07043	1.3
131.04930	4.0
141.07063	1.7
143.08667	1.1
145.05026	1.0
147.04477	0.9
153.07039	1.7
155.08614	2.7
156.52960	0.9
157.06506	1.1
158.69791	0.8
159.04457	2.1
161.06067	3.1
165.07024	4.5
166.07843	6.2
167.08722	1.1
168.37782	0.8
170.85077	0.9
173.06108	2.8
175.03949	1.2
175.07663	2.2
177.05521	2.0
178.07895	2.8
179.08588	5.3
180.09378	0.9
181.10161	6.4
183.08069	5.3
185.09734	1.3
187.04057	1.1
187.07642	1.5
189.05476	11.1
189.06985	1.3
190.07941	1.3
190.10031	0.8
191.08588	5.5
194.07307	4.8
197.09737	1.8
201.05437	4.1
203.10779	2.5
207.08115	2.2
208.09030	0.9
209.09625	7.8
211.07576	4.5
211.11287	1.5
213.09315	1.6
215.07051	4.0
215.10646	5.6
219.08238	3.7
221.09792	1.7
223.11404	1.4
224.08366	1.2
225.09166	2.7
228.09337	0.9
235.07777	1.0
237.09132	10.3
239.10747	5.8
241.12373	3.1
243.10178	15.0
249.09251	2.4
251.10786	2.8
253.08749	3.6
255.10197	1.7
261.09399	1.2
265.08737	1.4
267.10181	100.0
268.10721	1.8
273.09131	1.5
275.10825	1.1
279.07623	1.2
279.10190	5.0
285.11160	2.0
289.12354	1.2
291.10287	2.0
293.15625	3.0
295.16888	4.3
296.93054	0.9
303.13898	1.6
309.11349	3.7
313.18195	2.0
321.14874	60.3
322.15436	1.4
339.15942	79.9
340.16431	1.3
363.16028	1.1
381.17166	1.2
405.41422	1.0
501.21347	2.9
543.18542	1.6
569.20190	1.9
587.21539	50.4
587.32458	5.5
606.45636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54781	0.7
53.03939	2.1
55.01868	1.9
55.05502	1.7
55.33250	0.6
56.05035	5.7
57.03430	2.0
58.06590	1.6
61.02925	2.1
67.05502	2.8
69.02608	0.7
69.03437	7.2
69.07072	6.4
70.06586	1.7
71.04985	2.0
71.56567	0.8
72.08157	4.2
73.02916	1.2
74.06085	4.1
79.05491	5.0
79.68344	0.6
81.03417	5.3
81.07059	4.3
82.06577	1.4
82.15208	0.6
83.04983	14.4
84.04512	1.5
85.02416	1.1
85.02905	11.8
85.06558	1.2
86.09698	1.0
87.04467	1.6
91.05469	4.2
93.07056	6.0
95.04959	3.8
95.08615	2.3
96.08168	1.2
97.02908	6.7
97.06539	11.4
99.04465	3.5
102.05546	100.0
103.05427	1.0
105.07030	14.3
107.04961	2.1
107.08601	7.1
109.02863	1.9
109.06532	3.8
112.11247	2.9
113.06024	0.6
113.28491	0.6
117.07035	3.0
119.08586	2.7
121.06505	10.3
121.10139	1.3
123.08105	0.8
124.03959	0.7
124.99995	0.7
125.06000	22.3
127.03933	3.4
128.06209	0.7
128.10715	5.6
129.07040	1.7
130.07817	0.9
131.08556	4.1
133.06508	2.8
133.10170	1.3
135.08125	0.7
135.11702	0.8
137.06032	3.0
141.06999	1.3
143.07048	10.8
143.08546	2.2
144.09366	0.9
145.04964	1.4
145.06483	2.9
145.10121	22.6
147.08049	1.6
147.11691	0.9
149.05965	0.8
151.07556	3.2
155.08582	1.8
156.10201	5.4
157.10173	1.1
158.07243	3.3
159.08075	2.9
159.11703	7.2
161.06139	1.0
161.09639	0.8
161.13313	0.6
161.68922	0.6
163.11215	2.9
169.10118	3.1
172.08788	1.3
173.09634	19.9
174.11264	6.9
176.37091	0.7
177.12791	1.2
187.11197	13.3
189.12694	0.7
191.10658	7.3
197.09741	1.5
199.11337	0.9
205.12227	8.8
209.11716	1.5
215.10689	13.3
215.12698	0.9
233.11742	9.5
251.12802	3.2
324.11798	1.0
378.22888	1.7
396.24121	0.8
413.18317	0.7
424.23303	31.1
520.88879	0.8
586.28619	93.9
587.29108	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	585.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32058	1.9
53.03946	4.2
55.05511	12.2
57.03436	2.3
57.07066	7.2
63.40780	1.9
67.05505	20.0
69.03418	4.2
69.07076	13.3
69.53909	13.2
71.05009	2.3
79.05499	18.6
79.87373	2.0
81.07057	32.8
83.04972	4.3
83.08613	7.0
85.06544	2.6
91.05482	31.1
93.07049	50.9
95.04980	9.0
95.08604	33.9
97.06545	4.1
103.05493	3.9
105.07033	51.5
107.08597	48.7
109.06519	9.6
109.10160	29.1
111.08050	3.6
115.05450	3.6
117.07016	10.5
119.08584	74.8
121.06520	8.9
121.10149	43.8
123.08096	3.6
123.11693	13.2
125.09621	2.7
128.06256	3.0
129.07014	9.2
130.07787	3.6
131.08591	22.8
133.10138	51.1
135.08067	6.5
135.11693	35.7
137.05882	2.1
137.09619	6.9
137.13226	1.9
141.07033	4.7
142.07787	5.8
143.08566	20.6
144.09380	3.7
145.06514	2.0
145.10133	45.4
145.11275	3.0
147.08037	3.0
147.11690	13.8
149.09663	8.5
149.13315	7.0
151.03964	3.7
151.11182	2.7
153.07005	4.2
155.08559	7.9
156.09381	7.7
157.10139	28.2
158.10950	3.0
159.08090	9.5
159.11711	23.3
161.09650	8.1
161.13312	7.6
163.11221	4.1
163.14848	3.0
165.07039	2.7
167.08627	6.1
168.09386	2.4
169.10130	12.3
170.10855	5.0
171.11703	21.5
173.09613	2.9
173.13275	26.4
175.11163	3.7
175.14835	31.9
177.05492	2.8
177.09166	2.1
179.08557	4.3
181.08650	2.6
181.10150	7.4
182.10962	4.6
183.11664	11.4
185.13278	9.3
187.03947	2.5
187.11241	3.3
187.14838	14.6
189.12746	3.7
191.14380	4.6
193.10095	4.6
193.15965	4.7
194.11057	3.9
195.11716	8.6
196.12546	3.8
197.13242	13.5
199.14844	7.9
201.16405	14.6
203.07059	11.5
205.05051	5.7
205.15858	2.9
206.11053	2.4
207.11703	7.5
208.12505	4.8
209.13269	15.9
211.14879	10.1
213.12787	4.9
213.16423	8.0
217.15906	1.9
219.17409	2.9
220.12552	2.1
221.13312	8.5
223.11174	2.6
223.14799	7.0
225.12694	2.8
225.16443	5.2
227.14346	2.0
227.17989	2.4
231.11777	3.4
231.17465	4.0
232.12511	3.6
233.13327	3.0
235.14871	4.8
237.12810	2.5
237.16409	4.4
239.14417	3.5
239.18141	3.3
241.19589	4.1
244.12578	2.1
245.13254	2.5
246.13809	2.4
247.14844	4.3
249.16496	3.6
251.06879	5.0
251.18192	2.2
257.18991	3.5
259.14798	3.2
259.20520	2.9
261.16409	5.4
265.19583	4.0
267.21017	5.5
269.18924	2.9
271.15100	2.6
279.21011	2.5
283.20569	10.1
285.22195	6.5
361.25388	3.4
362.98318	2.0
374.25839	2.3
375.26926	2.5
379.18326	1.9
379.26489	3.7
433.12607	43.7
443.19577	3.6
454.14636	2.2
469.17606	7.1
470.18216	2.8
471.18890	3.1
483.15201	3.7
549.41052	5.4
567.27631	4.2
567.41962	21.2
585.24005	100.0
585.43292	23.8
585.56787	2.6
586.23871	4.1
599.92975	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01876	0.6
55.05520	3.3
56.96564	0.5
57.01541	0.4
57.03436	3.1
57.07066	1.6
61.02932	9.0
67.05507	5.0
69.03436	3.6
69.07079	4.6
69.80216	0.8
69.80624	1.8
71.04980	1.1
71.06389	0.4
71.08627	2.1
73.02921	5.3
79.05504	4.7
81.03410	1.4
81.07060	8.3
83.04959	1.1
83.08617	2.0
85.02913	7.9
85.06541	1.6
87.04456	0.6
87.90234	0.5
91.03963	5.6
91.05490	3.8
93.07045	4.2
95.04964	1.1
95.08609	6.8
97.02350	0.8
97.02908	7.5
97.06528	2.1
97.10153	0.5
99.04489	0.7
99.08093	1.3
101.02392	0.8
103.44285	0.6
105.07031	3.7
107.08604	5.1
109.02914	1.0
109.06535	8.1
109.10166	2.5
111.08092	1.1
115.03955	0.6
117.07004	1.0
119.08579	4.1
121.06499	1.5
121.10146	3.7
123.08076	20.2
123.11692	1.5
125.09624	0.6
127.03909	1.4
131.08562	1.5
133.10175	2.8
135.08063	5.5
135.11705	1.7
137.09607	1.4
145.06487	0.5
145.10144	2.2
147.11674	2.3
149.09634	1.7
149.13281	1.3
151.03958	0.8
151.11250	0.6
153.05476	0.5
157.10149	0.8
159.11728	1.9
159.70941	0.5
161.13289	0.8
163.11243	0.7
165.12770	0.9
167.14326	0.9
169.10182	0.5
173.13295	0.9
177.05469	1.4
177.12770	2.1
179.14326	32.0
181.04970	0.5
191.14388	0.8
193.15904	1.1
203.07077	2.1
205.04935	2.4
205.15981	1.1
213.09125	0.5
219.17430	0.6
247.20604	0.7
263.20029	0.8
275.20001	2.3
285.07938	0.5
293.21130	1.8
303.26746	2.5
329.10358	0.7
331.26349	20.8
349.27420	4.1
358.16489	0.9
364.23813	0.5
367.24707	1.4
395.15305	0.5
405.30042	1.7
423.31088	100.0
424.31693	1.0
429.13275	0.8
433.12711	4.7
434.13071	0.7
445.42661	0.6
553.18457	0.9
567.23877	0.6
585.18066	1.4
585.24646	2.7
585.36975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3253
Annotation	Caracurine V
Peak:m/z	Relative Intensity
55.05517	0.9
56.77685	0.3
57.03438	0.6
62.01080	0.3
65.62460	0.3
67.05511	2.0
68.71203	0.4
69.03432	0.6
69.07072	1.2
70.29641	0.8
70.30032	0.8
71.05000	1.6
79.05503	2.2
80.21164	0.3
81.03431	1.5
81.07056	2.7
81.87338	0.3
83.05000	0.9
83.08644	0.8
85.02908	0.8
85.06528	0.4
91.05499	2.7
93.07070	2.3
95.04987	0.8
95.08632	2.2
96.35890	0.3
97.02900	0.5
97.06557	0.9
98.20739	0.4
99.04474	0.4
100.97732	0.3
105.07044	1.5
107.08605	1.5
109.02898	0.5
109.06506	0.7
109.10205	0.8
111.08075	0.6
111.54110	0.3
117.03431	0.4
119.08633	1.1
121.06522	0.4
121.10197	2.1
123.08065	0.8
123.11697	0.4
129.07083	0.6
131.08589	1.1
133.06514	0.5
133.10141	1.1
137.02385	1.6
137.06055	0.9
139.11195	0.7
145.10150	0.3
147.11705	1.0
149.09648	1.6
153.01924	0.5
155.04953	0.9
157.10141	1.1
158.99704	0.4
159.11655	0.4
167.03407	0.6
175.11244	0.8
177.05452	0.5
193.12306	1.2
195.08211	0.4
211.03864	0.6
225.11075	0.4
233.11540	0.7
251.12656	1.4
254.05836	2.6
256.03659	1.1
267.16003	0.5
269.08154	9.6
269.13559	3.2
271.06064	8.4
281.13840	0.5
283.15192	11.0
285.07483	0.6
297.07486	0.6
299.05493	4.5
299.13361	0.4
300.06088	0.4
301.07208	0.7
301.14563	0.6
307.15277	0.6
311.05869	0.5
313.07178	0.6
315.08710	1.5
325.16336	2.6
339.17807	5.8
355.95547	0.4
381.62701	0.5
435.07245	0.5
449.12500	2.0
541.30017	2.1
567.12512	0.5
567.31287	3.0
585.14093	6.5
585.32581	100.0
586.32990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.41027	0.8
67.05500	2.7
69.07074	2.1
71.58302	0.9
71.58717	0.9
79.05502	1.3
81.07059	3.4
84.36806	0.9
91.05498	5.8
93.07056	4.2
95.05003	1.3
95.08624	2.3
97.02872	1.3
105.07038	3.6
107.04900	0.9
107.08617	3.5
108.08897	0.9
109.10167	1.6
119.08607	3.2
121.06500	1.1
121.10205	1.0
129.07045	1.1
131.08597	1.5
133.10139	1.1
135.11719	2.5
145.10120	1.6
151.03922	1.0
155.08733	1.0
157.06529	1.5
159.11644	1.0
167.07004	1.2
171.11656	1.0
177.05580	2.1
181.06535	0.9
195.11658	1.1
197.76926	1.0
201.09163	0.9
203.07051	6.7
205.04945	3.3
229.08661	3.1
243.10222	2.0
251.06961	1.7
253.08667	1.5
267.10059	1.4
272.09091	1.0
290.88651	0.9
321.14972	1.3
401.10159	1.0
417.07367	1.7
423.31061	1.4
433.12643	50.4
529.22156	0.9
553.16199	20.2
555.23560	1.6
567.27521	1.5
585.24640	100.0
586.25598	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	585.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
56.05034	1.9
57.05800	0.4
60.05612	1.2
64.67331	0.3
69.03397	1.0
69.44875	2.8
70.06563	0.7
72.12150	0.3
73.02882	0.4
79.05490	0.4
81.03384	1.1
83.06097	1.8
85.02866	1.3
91.05485	0.4
93.44937	0.3
95.06083	0.6
96.04524	0.4
97.02853	0.6
99.04451	0.3
104.04945	0.4
105.03370	2.3
105.05746	0.7
106.06519	1.1
109.02879	0.5
111.05577	5.9
113.07111	1.1
115.08791	0.4
120.03616	0.7
120.04472	13.0
123.05511	1.0
125.34747	0.3
126.05772	0.4
126.06644	8.0
127.07394	0.7
132.04465	16.4
132.08104	0.7
133.05243	0.4
134.05121	0.6
134.06024	7.4
137.04681	1.5
140.08183	0.9
146.02287	0.4
148.03952	0.5
149.07097	0.5
150.05460	0.8
151.05011	0.5
151.06166	5.9
152.06868	0.4
158.06001	0.5
159.05565	0.6
162.06615	0.4
165.06589	0.4
168.08807	1.9
176.07030	0.5
185.07195	0.4
187.07288	0.5
187.08757	0.5
202.07962	0.6
202.09784	12.5
203.08170	0.4
215.08133	0.5
216.11340	2.4
230.07063	0.6
230.09254	9.4
231.07706	2.2
231.12346	0.6
232.10847	3.6
233.13907	0.5
242.09262	3.0
255.08719	0.5
257.10345	3.9
259.11920	75.0
260.12369	0.7
264.12201	0.6
277.12952	9.2
284.11401	6.5
301.14029	1.5
302.12497	25.1
319.14145	1.1
349.15030	0.8
375.12234	0.4
376.54514	0.4
379.16110	0.8
389.85352	0.4
403.16275	1.2
421.17218	8.5
428.15784	0.7
446.17007	0.6
463.19464	3.5
543.23004	6.7
585.25208	100.0
586.25702	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.7
59.63739	0.7
67.05503	1.2
69.07059	2.9
71.58610	0.9
79.05499	1.2
81.03429	0.9
81.07053	2.9
91.05502	4.1
93.07030	1.8
95.08599	2.3
96.91669	0.7
98.64478	0.7
105.07027	3.3
107.08588	1.6
109.06515	0.8
109.10178	2.0
110.10954	0.8
117.07076	0.9
119.08583	3.1
121.10147	1.2
123.11800	0.8
125.09593	0.8
129.07001	1.4
131.08595	1.1
132.60431	0.7
133.10094	1.4
135.11626	1.0
141.06987	0.8
143.08559	1.1
145.10124	1.9
147.11684	1.1
154.32626	0.9
161.13358	0.9
177.05577	0.8
189.08891	0.9
193.10240	0.8
201.16380	1.1
203.07014	3.2
211.03607	1.6
223.01198	0.8
225.05225	1.2
229.08632	2.0
241.19664	0.7
243.10223	1.8
251.06927	1.0
298.43320	0.9
302.08521	0.7
321.14929	1.9
332.74185	1.2
363.08215	0.8
365.13727	1.1
387.12744	0.8
401.09851	7.2
415.11563	5.3
416.12381	2.4
433.12595	18.0
525.13782	0.9
584.55597	1.0
585.24506	100.0
586.24579	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	585.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42433	1.4
55.05489	3.3
56.75449	1.4
57.07052	4.7
67.05506	9.2
69.07041	4.8
69.54005	4.2
69.54436	5.6
71.08623	1.6
79.05499	9.5
81.03410	1.8
81.07078	9.0
83.08606	3.2
87.04446	1.5
89.06010	1.3
91.05484	10.8
93.07044	11.0
95.04944	1.8
95.08622	8.1
98.20719	1.6
105.07036	14.6
107.04900	2.0
107.08601	8.5
109.06480	2.2
109.10165	7.3
117.07000	3.4
119.08586	10.9
120.08869	1.9
121.10106	5.1
123.07996	2.9
123.11671	3.4
128.06201	1.6
129.06952	2.2
131.08546	6.3
133.10098	6.3
135.08005	2.0
135.11613	2.3
135.53777	1.3
139.11124	1.7
143.08507	3.4
145.10115	5.5
147.08034	2.1
147.11681	3.1
155.08487	2.9
157.10104	4.1
159.11613	4.8
161.05952	1.7
161.13225	2.0
163.07306	1.7
169.10043	2.6
171.08025	2.5
171.11591	3.3
172.12132	1.6
173.13278	3.8
175.14786	2.4
181.12080	1.7
183.11600	1.7
189.12709	1.4
191.06953	1.9
193.10042	2.0
195.11710	2.2
201.16339	2.4
203.07056	14.5
207.11490	2.4
221.15266	1.7
222.15694	1.8
243.10164	3.2
283.26392	2.1
311.29321	4.8
365.13458	1.8
383.21991	1.7
395.14603	3.4
433.12466	4.0
567.26733	2.7
584.56134	8.7
585.22223	100.0
585.41809	5.8
585.56128	3.7
586.22675	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	585.1759
Annotation	Hexaspermone C
Peak:m/z	Relative Intensity
51.63123	0.5
53.03939	1.6
55.01846	0.6
58.23240	0.5
63.61810	0.6
67.05489	0.7
71.32502	1.3
78.04702	0.6
79.05501	8.9
81.03429	0.6
81.07044	1.5
89.03904	1.1
91.05489	1.7
93.07037	0.7
95.01392	0.9
95.04970	1.5
103.05482	2.5
105.03443	0.7
105.04563	1.0
105.07045	1.0
105.40773	0.6
107.04960	23.4
109.10166	0.8
116.60792	0.6
117.03395	1.8
119.04977	1.3
121.06507	1.5
121.10159	0.8
121.87747	0.6
123.00832	1.7
123.04411	0.6
124.05213	3.8
125.06009	1.5
131.04933	11.9
132.05737	0.9
134.03642	1.8
135.04451	0.8
137.05997	1.4
144.05701	1.1
145.02843	2.1
145.06485	0.8
147.04515	0.7
149.06001	0.8
151.03955	0.9
152.01082	2.7
152.04695	1.6
153.01874	2.3
153.05487	1.6
155.04939	4.2
161.06000	2.4
165.07004	1.8
167.03313	0.5
167.04881	1.2
167.07050	16.1
167.08414	1.1
170.02158	1.3
172.05273	1.1
177.05539	0.8
178.07863	1.4
179.08609	1.5
181.06538	1.9
182.07320	2.5
183.04466	3.0
184.05257	1.1
185.06050	1.4
187.07553	1.6
193.06424	0.7
194.07170	0.9
196.05240	0.6
197.06081	1.0
197.09700	1.2
200.04662	1.2
201.05605	0.5
202.06287	0.6
207.08098	2.7
209.05954	0.7
210.06769	4.0
211.03963	3.8
211.07578	1.1
212.04738	1.9
213.05420	1.5
221.06088	1.0
223.07562	1.3
224.08360	1.1
225.05559	1.2
225.09108	5.0
227.07056	0.7
228.04140	1.3
230.05772	1.5
235.07649	1.3
238.06329	1.0
239.03465	3.3
239.07092	1.4
240.04140	0.8
241.04956	3.7
245.08107	1.1
253.08646	3.9
255.06538	4.1
256.03653	6.5
267.02817	0.6
269.04581	3.4
269.07782	0.9
270.09061	1.0
271.06021	55.6
272.06421	0.9
283.06088	2.2
285.04099	1.0
285.07654	1.8
285.11008	1.4
286.04749	6.1
286.11951	1.3
297.07654	1.8
299.05511	28.2
300.06241	3.4
301.07071	26.1
315.08621	1.1
331.15881	1.5
349.16901	1.2
403.11948	1.9
419.11520	0.8
431.11252	1.2
479.13318	1.8
585.17633	100.0
586.17963	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	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	15.9
57.07062	11.0
67.05507	22.9
69.03427	5.3
69.07073	17.2
69.20943	3.7
69.50182	3.3
69.58128	3.1
69.58470	29.2
71.05016	4.3
79.05510	25.9
81.07065	31.9
83.08622	10.2
85.06576	9.2
89.06025	26.8
91.05500	47.5
93.07053	50.8
95.04989	5.4
95.08617	38.1
105.07043	86.5
107.08607	54.4
109.06523	10.4
109.10175	28.5
117.07021	27.1
118.07830	4.7
119.08591	100.0
120.09341	7.8
121.06489	6.5
121.10159	35.2
123.08081	29.1
123.11739	7.8
125.09674	8.2
128.06273	9.4
129.06993	23.8
130.07802	6.2
131.08574	53.7
132.09343	6.7
133.08606	16.5
133.10141	55.5
133.31787	4.3
135.08070	7.9
135.11714	16.5
137.09605	8.5
141.07005	7.5
142.07803	15.5
142.33559	4.3
143.08600	47.2
144.09323	11.9
145.10156	85.6
146.10904	4.3
147.08040	9.7
147.11703	24.8
148.03078	3.7
148.57523	3.9
149.09584	6.7
151.11157	4.3
155.08595	20.0
155.10698	8.5
156.09322	20.9
157.10139	62.2
158.10918	14.3
159.08086	9.2
159.11711	51.6
160.08881	5.6
160.12471	4.6
161.09654	4.4
161.13260	8.6
163.11220	7.5
165.07062	8.8
165.09148	12.1
167.08655	5.4
169.10155	27.4
170.10841	7.8
171.11702	46.4
172.12495	6.6
173.13260	29.7
175.11235	14.9
175.14867	22.3
176.72159	4.0
177.11232	9.8
179.08475	7.1
180.09360	4.8
181.10150	16.7
181.12363	5.5
182.10902	5.7
183.11667	28.3
184.12642	4.2
185.13272	20.7
187.14847	12.8
189.12704	11.6
193.10118	13.6
193.12247	4.6
194.11008	9.1
195.11723	22.0
196.12553	8.4
197.13336	26.4
198.14149	3.9
199.14833	12.5
201.16385	8.9
203.14359	8.6
205.10268	4.8
207.11578	9.3
209.13333	27.0
209.15068	4.7
210.14026	7.5
211.14842	17.9
213.16411	8.2
217.15953	5.3
221.13358	11.0
221.15446	19.1
223.14888	17.1
225.16460	6.6
231.13889	4.5
234.15993	5.4
235.14839	10.9
237.16374	11.1
239.17908	7.1
247.14790	9.6
249.16463	8.0
251.14851	4.2
251.73012	5.0
257.19052	5.3
263.18011	5.3
271.14694	4.5
274.19305	5.1
277.16147	5.4
281.19162	7.1
289.19495	5.8
299.20117	6.6
352.24005	29.1
371.22491	7.1
412.29739	7.9
492.35880	17.4
504.36172	38.3
584.31873	7.3
584.41870	28.8
584.56342	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	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57603	2.5
53.03939	8.4
53.19768	2.3
55.01877	2.6
55.05511	14.1
56.92024	2.9
57.07090	16.4
59.04998	3.0
65.03945	5.0
67.05514	26.9
69.03412	7.7
69.07058	21.2
70.06599	5.3
71.04977	4.6
71.08620	3.4
71.57882	4.9
77.03958	2.8
79.05492	29.4
80.95023	3.0
81.07058	42.1
83.04973	11.2
83.08607	11.5
85.02933	3.0
85.06547	8.9
87.04469	5.1
89.06046	27.6
91.04961	5.1
91.05489	53.5
92.05776	2.8
93.07053	69.4
95.04943	12.4
95.08618	46.3
97.06556	4.6
100.30517	3.3
103.05491	4.3
105.04547	2.8
105.07039	81.9
106.07863	4.1
107.04980	4.2
107.08606	61.2
109.06519	9.6
109.09528	3.8
109.10167	33.7
111.08099	4.7
115.05450	8.4
117.07036	24.8
119.08595	100.0
120.09454	3.2
121.06515	11.2
121.10150	54.5
123.08081	9.0
123.11698	9.0
124.11252	4.3
125.09631	5.0
128.06204	11.9
129.07036	23.3
130.07764	8.9
131.08582	54.7
132.09399	3.7
133.06511	3.3
133.08682	14.4
133.10143	67.0
135.08073	13.6
135.11708	22.7
137.09619	6.0
139.11166	5.6
141.06981	9.5
142.07780	24.7
143.08575	53.8
144.09352	15.0
145.10129	73.7
146.10693	3.2
147.08049	10.4
147.11699	27.7
149.09639	13.6
149.13248	7.5
151.11133	4.2
153.07047	4.6
154.07835	2.8
155.08569	19.4
156.09348	20.6
157.10139	58.6
158.10919	13.8
159.08051	23.2
159.11697	49.5
160.08818	4.3
160.12279	3.5
161.09619	19.4
161.13264	9.7
163.11163	5.5
163.14807	4.2
165.07025	9.4
166.07787	3.4
167.08554	11.3
167.10658	8.2
168.09326	8.8
169.10129	33.2
170.10963	13.5
171.11719	35.7
172.12361	4.9
173.09659	7.8
173.13274	40.5
175.11179	8.0
175.14832	23.1
177.11301	5.8
177.12709	4.7
179.08566	16.2
180.09328	5.0
181.10130	20.2
182.10928	8.5
183.11711	28.5
184.12468	7.6
185.09663	3.9
185.13203	21.1
186.13857	5.2
187.11125	4.0
187.14896	20.6
189.12782	4.4
191.14223	4.9
192.09280	6.0
193.10193	14.0
194.10912	12.8
195.11723	29.6
196.12453	11.3
197.09494	6.4
197.13275	30.1
198.13925	5.9
199.11198	8.2
199.14792	18.5
201.12767	5.2
201.16356	4.4
203.07004	6.9
203.14345	9.1
204.07428	3.8
205.10106	6.2
206.10861	5.0
207.11659	15.1
208.12364	7.6
209.13284	27.0
210.13953	5.3
211.11285	3.6
211.14832	21.3
213.12695	7.9
213.16377	9.3
215.14336	5.9
217.15863	3.0
218.10938	3.2
218.16617	5.1
219.11665	4.7
220.12442	6.5
221.13239	13.2
221.15216	5.5
223.14804	18.9
225.12703	7.4
225.16408	7.5
227.14349	6.3
227.17860	4.5
229.10025	3.1
231.17526	2.9
232.12447	4.2
233.13246	7.0
233.15364	20.6
234.13876	5.3
235.14845	12.7
237.16342	12.3
239.14178	3.7
239.17926	9.5
241.15988	5.7
241.19568	4.2
245.13210	4.1
247.14804	5.9
248.15433	3.7
249.16406	9.0
251.14287	4.0
251.17937	5.2
253.15897	5.3
255.17445	42.7
257.19003	5.5
259.20618	3.2
261.16464	7.7
263.17911	6.4
265.19519	5.6
268.18195	4.4
269.18936	8.7
270.19742	8.8
271.20551	5.5
277.19470	3.6
279.17480	6.6
281.19000	7.4
285.22403	5.5
289.19409	4.6
297.22147	8.3
299.20206	4.0
300.28973	6.6
311.29437	7.5
335.23727	3.8
337.25531	3.6
345.22147	5.4
349.25015	3.8
360.24249	3.8
364.40802	3.1
365.24792	3.6
367.26212	7.3
371.22803	7.9
380.11841	3.5
431.29065	3.5
470.50003	3.2
489.33075	3.3
492.35608	7.9
566.41156	3.4
569.40198	3.3
584.30890	11.6
584.42242	14.8
584.55981	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72636	2.6
52.45280	2.4
53.03956	6.5
55.05513	15.3
57.07084	14.6
59.04986	4.6
65.03961	3.7
67.05515	27.1
67.35378	2.7
69.03432	7.6
69.07072	21.1
69.43159	6.4
69.43563	15.1
70.06587	3.9
70.83157	2.6
71.08607	4.9
73.43851	2.5
79.05495	30.6
81.07062	46.9
83.04980	3.7
83.08624	9.0
85.06535	5.3
85.10170	3.4
88.30636	2.8
89.06030	40.1
91.05486	54.8
93.07055	54.3
95.04981	11.4
95.08614	38.4
97.06535	5.1
102.22646	2.9
103.05510	4.6
105.07037	84.4
106.07861	5.0
107.08603	52.6
109.06530	11.9
109.10162	23.6
111.08055	4.9
115.05484	6.1
116.06224	4.8
116.48000	3.1
117.07034	18.4
119.08596	100.0
120.09418	6.9
121.06508	9.7
121.10157	39.6
123.08070	3.8
123.11728	7.6
125.09621	5.2
128.06203	13.6
129.07022	20.5
130.07803	9.8
131.08583	54.8
133.08630	19.6
133.10126	54.6
133.11063	3.8
135.08089	13.3
135.11720	19.7
137.09615	8.3
141.07027	9.1
142.07791	23.4
143.08571	37.8
143.56912	3.0
144.09315	13.4
145.06511	4.6
145.09030	5.2
145.10138	68.4
146.10870	4.2
147.08028	7.8
147.11691	22.1
149.09628	14.2
149.13327	3.8
151.11159	3.8
152.06178	3.7
153.06984	7.0
154.07693	4.9
155.08597	18.2
156.09329	17.0
157.10153	52.4
158.10913	9.3
159.08076	24.4
159.11714	40.3
161.09631	12.1
161.13251	7.4
163.11172	5.9
165.07028	8.2
167.08592	10.9
167.10728	6.8
168.09328	5.9
169.10138	26.1
170.10905	7.6
171.11708	33.4
172.12439	8.2
173.09659	5.9
173.13289	31.5
175.11194	7.1
175.14754	14.8
177.05594	3.0
177.09326	3.1
177.11237	9.2
177.12665	3.1
179.08598	13.3
180.09373	5.9
181.10106	21.1
182.10936	10.4
183.11719	31.0
184.12529	7.3
185.13237	17.6
187.11107	6.0
187.14844	14.9
189.12726	5.6
191.14333	5.6
192.09386	7.5
193.10184	18.6
193.15891	3.1
194.10904	9.2
195.11725	21.9
196.12546	8.5
197.13290	25.9
199.11224	6.5
199.14822	11.5
201.12718	4.7
201.16460	7.5
203.06967	9.2
203.14386	9.1
204.07439	3.7
205.10211	5.8
205.12491	2.9
206.10934	7.6
207.11734	9.1
208.12543	6.9
209.13322	19.6
209.15047	3.8
210.13930	4.9
211.14832	13.6
213.12852	6.5
213.16362	10.2
215.14348	5.9
216.15222	2.9
217.15945	4.9
218.16634	4.2
219.11748	4.2
220.12521	6.9
221.13278	11.6
221.15292	4.4
222.14073	3.2
223.14778	15.8
225.12865	5.0
225.16405	7.3
227.14342	3.2
231.11687	4.6
232.12364	4.1
233.13281	6.4
233.15405	16.3
235.14870	11.9
236.15436	3.3
237.16446	13.3
239.17937	7.2
241.73624	3.1
244.10568	4.1
245.13243	5.9
246.14018	3.7
247.14854	4.4
248.15637	3.7
249.16354	8.3
251.18015	4.8
255.17374	33.6
257.19116	5.2
259.14853	3.6
259.20721	3.0
261.16403	4.4
262.53113	3.1
263.18097	4.2
265.15860	3.1
265.19583	6.1
268.18262	4.2
269.18994	4.9
270.19855	3.2
273.16226	4.3
275.17950	3.8
276.18631	3.7
279.17596	2.9
281.19183	3.7
294.19794	4.1
297.22113	6.6
300.28851	4.3
311.29474	6.8
335.23447	4.1
345.22232	4.6
347.23502	3.6
349.25378	4.0
360.24487	7.3
365.24921	4.6
367.26221	6.9
371.22787	6.7
477.32993	3.6
492.35623	9.2
504.36050	7.0
584.31073	8.1
584.42023	10.4
584.56000	21.6
585.22638	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	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42345	1.8
53.03932	3.0
55.05512	13.6
57.07077	10.6
57.49023	1.8
59.05008	3.1
64.53004	1.6
65.03926	5.0
67.05225	1.9
67.05508	22.7
67.12710	1.6
69.03419	8.4
69.07071	18.7
69.35798	3.7
69.36205	12.8
70.06573	2.6
71.08620	2.0
79.05049	2.7
79.05489	32.6
81.07056	42.3
83.04987	9.0
83.08616	7.7
85.06533	6.0
87.28593	1.9
89.06023	2.6
91.05482	57.1
93.07047	63.3
95.04964	13.8
95.08047	2.7
95.08610	39.1
96.08954	1.9
97.06551	4.1
97.10126	2.3
103.05439	5.1
105.07030	92.2
107.04945	3.8
107.08596	64.5
109.06496	10.6
109.10162	27.3
111.08117	1.8
115.05439	8.5
116.06227	3.0
116.38905	1.8
117.07015	25.1
119.08583	100.0
120.09363	6.0
121.06501	10.2
121.09308	3.9
121.10146	54.9
123.08089	10.0
123.11697	9.5
125.09655	3.0
125.84959	1.8
128.06207	13.5
129.07018	21.6
130.07806	11.5
131.08566	56.7
132.09340	5.2
133.06477	3.6
133.10133	62.8
134.10857	1.9
135.08054	16.8
135.11717	20.9
137.09599	7.3
139.11151	5.5
141.07005	9.1
142.07793	24.2
143.08565	52.2
144.09348	17.2
145.06456	3.7
145.10129	76.7
146.10822	2.2
147.08054	9.7
147.11685	25.5
149.09602	14.3
149.13226	7.2
151.07498	2.3
151.11203	2.4
153.07005	4.0
154.07796	4.0
155.08554	19.2
156.09358	24.0
157.10132	62.4
158.07262	2.3
158.10880	10.8
159.08063	27.6
159.11697	42.5
160.08723	2.2
160.12369	2.1
161.09607	20.3
161.13272	11.0
163.11176	8.8
165.07059	9.2
165.09105	2.8
166.07800	4.5
167.08559	12.5
167.10701	7.1
168.09332	8.1
169.10127	32.5
170.10959	9.6
171.08089	1.9
171.10249	3.9
171.11691	38.5
172.12457	9.9
173.09605	7.1
173.13263	31.1
175.11166	8.9
175.14827	19.7
177.12735	4.1
179.08543	14.0
180.09306	7.1
181.10146	20.2
182.10916	13.6
183.11684	31.7
184.12427	6.9
185.09625	2.6
185.13290	26.8
186.13940	4.6
187.11156	6.5
187.14848	18.3
189.12759	6.8
190.13550	4.4
191.08685	2.4
191.14308	8.3
192.09413	4.9
193.10153	16.1
194.10886	11.9
195.11682	33.2
196.12520	10.2
197.09616	3.4
197.13258	29.9
198.13835	3.4
199.11186	8.5
199.14833	18.8
200.11905	2.5
200.15472	3.3
201.12718	7.9
201.16447	7.8
203.06924	4.1
203.14288	7.9
205.10066	2.4
205.15843	2.4
206.10870	7.9
207.11737	17.4
207.13568	4.2
208.12422	7.3
209.13255	28.9
210.13997	6.0
211.11302	4.3
211.14833	17.3
212.15489	4.4
213.12741	5.9
213.16368	7.9
215.14330	7.1
217.15884	5.2
218.10951	3.2
218.16589	5.1
219.11646	8.0
219.13660	2.5
219.17430	2.8
220.12425	5.2
221.13280	15.9
222.13951	5.1
223.11259	2.5
223.14868	15.6
224.15321	3.5
225.12679	5.7
225.16364	7.4
227.14310	6.2
229.01816	2.1
229.15851	3.1
231.11665	4.8
232.12340	3.7
233.13202	7.5
233.15382	22.3
234.13937	4.7
235.14824	10.8
236.15427	2.1
237.16331	14.3
239.14388	3.9
239.17926	7.6
241.15782	3.1
241.19476	3.2
243.17578	3.1
244.12331	2.4
245.13316	3.8
246.13994	3.1
247.14818	6.4
248.15628	2.9
249.16423	8.1
250.17099	2.7
251.14227	2.3
251.17973	6.4
253.15781	4.5
253.19440	4.1
255.17471	34.2
256.26379	1.9
257.18945	4.8
258.14005	2.4
259.14810	5.8
261.16348	8.8
262.16943	2.7
263.17871	4.1
265.16122	1.9
265.19540	5.6
267.21033	2.0
268.18225	3.1
269.19028	5.0
270.19724	7.4
271.20428	3.5
273.16269	3.5
273.18796	2.6
275.17749	4.3
279.17474	2.4
279.21072	2.9
281.19046	6.2
282.19800	2.2
283.20581	4.9
285.18848	2.0
285.22067	4.6
289.19644	3.3
294.19687	2.1
295.20633	3.0
296.21240	2.4
297.22079	6.7
299.20270	2.7
300.28952	4.8
303.20847	2.7
307.20694	3.2
311.29532	6.4
321.22101	2.0
334.22751	4.1
345.22183	5.3
347.23523	2.5
349.25256	4.3
354.25824	2.8
360.24496	6.9
365.24997	3.0
367.26096	5.8
371.03329	2.4
373.24817	2.1
382.38354	2.0
413.28201	3.8
431.29315	2.5
441.31848	2.6
492.35944	4.6
509.95474	2.3
551.38922	2.2
566.40643	6.5
584.41980	22.6
584.56042	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	584.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.7
55.01880	3.0
57.03424	2.0
58.74554	0.6
61.02933	1.4
67.05510	1.0
68.99782	1.9
69.03435	9.7
69.46337	4.2
70.06575	0.9
71.04995	1.8
72.08178	0.8
73.02918	2.8
79.05513	5.1
81.03421	11.0
81.07069	1.6
82.62157	0.6
85.02428	1.3
85.02913	19.0
87.00842	9.5
87.95765	0.7
91.05479	1.8
93.07060	1.0
95.04951	1.2
97.02886	9.0
99.04456	4.2
103.18100	0.7
105.01873	4.2
105.07036	2.2
107.04961	13.5
109.02888	9.2
117.01863	1.5
119.04954	1.8
119.08606	0.9
120.08129	2.1
121.06493	2.1
124.05234	2.2
125.05988	1.9
127.03928	14.8
129.01872	1.3
133.06508	1.0
135.04489	0.9
136.07574	0.9
137.06010	1.5
138.03136	7.7
139.03900	13.7
139.07527	0.8
145.04991	5.0
147.04419	4.8
152.04657	1.5
152.07108	1.0
153.05476	100.0
159.02887	5.6
161.05983	2.5
163.03888	4.4
165.05492	2.5
167.07057	33.0
173.06027	0.9
176.04706	1.3
176.53822	0.6
177.05481	9.6
179.07027	10.6
181.04967	1.8
181.08653	0.8
189.05504	1.5
191.06950	1.0
193.08620	5.9
195.06529	7.0
203.07095	1.3
205.04979	4.1
207.06487	1.7
212.09267	1.5
219.06537	8.3
221.08078	1.7
231.04907	1.9
233.08052	0.8
243.15092	0.7
245.08006	1.3
247.06059	2.5
254.17555	2.1
261.07681	3.1
287.09122	0.9
319.11792	4.4
331.11880	0.7
332.06210	0.8
343.11667	4.6
361.12802	3.0
365.08688	3.6
374.21912	0.8
385.12891	5.1
391.10443	1.4
409.12820	2.6
427.13940	7.6
511.04929	0.7
531.14954	0.9
538.21588	1.5
584.13666	0.7
584.26575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78646	1.9
53.03953	4.3
53.41102	1.8
55.05509	8.8
57.07073	6.9
59.05003	3.2
65.03945	3.8
67.05514	16.6
69.03424	6.4
69.07069	12.0
69.22150	24.3
79.05504	15.4
81.03436	2.2
81.07062	25.3
83.04994	3.7
83.08638	4.1
85.06548	3.5
91.05483	25.3
93.07050	37.2
95.04974	9.3
95.08611	33.8
97.06544	2.5
103.05431	3.3
105.07040	48.4
107.08592	25.8
108.24421	2.1
109.06541	6.6
109.10143	16.7
111.88351	1.9
117.07029	11.7
119.08597	44.7
121.06486	4.0
121.10141	30.3
123.08075	16.9
123.11737	5.1
125.06027	2.8
128.06230	5.9
129.07011	8.5
130.07805	2.7
131.08565	19.4
133.10135	27.0
134.72598	2.0
135.08078	6.8
135.11711	8.9
135.36462	2.1
135.37598	2.3
137.09642	9.9
141.07016	4.3
142.07791	12.2
143.08554	18.5
144.09398	2.6
145.10120	26.9
147.08052	18.2
147.11699	12.6
149.09677	3.9
151.07544	22.8
151.11189	3.3
154.07848	2.3
155.08583	7.4
156.09355	12.0
157.10136	35.7
159.08067	4.8
159.11676	19.6
161.09624	4.5
161.13237	5.8
163.11243	5.4
165.07002	4.1
165.09113	28.3
166.07866	3.2
167.08537	3.7
167.10732	4.7
168.09404	5.4
169.10155	14.0
170.10892	5.0
171.11702	19.6
173.13257	11.4
175.11075	2.1
175.14896	6.1
177.05585	3.0
179.08551	7.9
180.09340	3.7
180.44568	2.2
181.10144	7.1
181.12277	4.5
182.11023	4.5
183.11668	11.4
184.12480	2.5
185.13226	14.3
187.14841	4.0
189.12799	6.7
191.14288	4.6
192.09392	2.3
193.10152	8.7
194.10966	5.5
195.11765	12.8
196.12572	4.4
197.13263	10.0
198.02136	2.3
199.11307	3.9
199.14839	6.0
201.16405	4.4
203.07005	18.4
203.14362	12.9
203.17915	2.5
205.10117	3.0
206.10962	3.8
207.11722	8.5
207.13849	7.6
208.12413	3.5
209.13261	12.8
211.14841	6.7
213.12918	2.4
215.14406	2.8
218.69878	2.2
219.11717	3.3
221.13257	7.4
221.15332	57.1
223.14832	9.4
225.16476	2.8
229.15950	2.9
233.13419	4.7
233.15378	2.8
234.14085	3.6
235.14847	6.1
237.16522	3.9
239.18129	2.9
243.10139	2.7
245.08113	4.5
247.14777	4.2
249.16502	5.0
257.19092	2.8
261.16241	2.9
263.17963	4.5
265.19412	3.3
269.08127	3.2
269.18915	4.4
271.20465	4.2
275.17963	2.7
279.21188	3.6
281.19028	3.4
283.20718	3.6
295.20453	5.7
297.22311	4.7
307.09540	9.0
375.26965	6.5
377.21066	2.3
380.32089	2.3
381.13388	3.9
403.30066	13.3
407.22208	2.7
447.18134	2.4
474.75555	2.3
503.35193	8.3
546.14813	2.3
547.39172	2.9
551.27991	3.3
565.29962	5.5
565.40448	37.1
583.30341	14.7
583.41541	100.0
584.42114	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	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01867	2.0
55.05285	1.7
55.05514	14.8
56.25156	1.5
57.01618	1.6
57.07080	11.9
59.04988	5.0
65.03943	5.1
67.05511	27.3
69.03420	9.5
69.07079	19.8
69.26383	2.7
69.26790	13.3
77.03903	1.7
79.05499	27.6
79.13929	1.6
80.73161	1.5
81.03431	2.2
81.07066	38.6
82.33737	1.5
83.04983	7.8
83.08610	10.5
85.06539	6.9
90.77336	1.6
91.05483	47.1
93.07053	60.2
95.04980	12.6
95.08617	37.8
97.06533	5.8
103.05495	4.8
105.04549	1.7
105.07039	77.6
107.04929	1.9
107.08604	46.9
109.06535	8.3
109.10157	22.5
110.26486	2.1
111.08097	3.3
114.48463	1.6
115.05474	6.0
116.06276	1.8
117.07046	18.1
119.08588	88.5
121.06509	7.0
121.09306	3.4
121.10152	46.4
123.08073	22.1
123.11726	5.7
125.06010	4.2
128.06219	14.0
129.07016	21.1
130.07794	6.9
131.08574	42.5
133.06532	4.7
133.10141	38.5
135.08064	11.6
135.11708	17.8
137.09631	14.7
139.07565	1.7
141.06958	9.5
142.07800	25.3
143.08571	44.7
144.09354	7.5
145.06590	2.2
145.10133	56.7
147.08057	23.6
147.11691	17.9
149.09628	7.4
149.13228	2.7
151.07562	20.0
153.07028	3.0
154.07773	4.4
155.08577	21.8
156.09322	18.0
157.10143	57.4
158.10904	7.9
159.08112	5.1
159.11700	29.6
161.09647	6.5
161.13312	9.4
163.11169	7.4
165.06993	6.4
165.09116	35.8
166.07796	2.7
167.08539	9.2
167.10646	10.8
168.09323	7.2
169.10132	32.6
170.10918	10.7
171.11711	35.6
172.12505	3.7
173.09644	6.2
173.13287	21.6
175.11211	4.5
175.14799	8.7
177.09062	2.1
178.07761	2.9
179.08591	14.1
180.09315	7.8
181.10123	16.5
181.12262	6.6
182.10898	8.6
183.11720	28.6
183.13226	2.9
184.12527	5.3
185.09665	2.0
185.13277	19.4
187.11220	4.5
187.14859	7.6
189.12770	6.4
191.08652	2.3
191.14363	9.9
192.09363	7.4
193.10173	17.4
194.10924	12.6
195.11716	25.4
196.12582	8.8
197.13283	21.2
198.14049	2.5
199.14830	16.8
201.12729	3.2
201.16460	3.4
203.07065	5.8
203.08762	2.4
203.14326	17.8
205.10196	5.0
206.10931	10.7
207.11745	19.4
207.13867	8.2
208.12558	8.7
209.13290	29.1
210.14021	5.0
211.14903	10.3
213.12801	2.9
213.16350	4.9
216.38382	1.7
217.10211	5.5
217.15900	8.6
218.10983	3.7
219.11681	7.2
220.12494	8.6
221.13281	16.5
221.15327	74.0
222.14067	3.9
223.14844	15.0
224.15529	2.0
225.12720	2.3
225.16432	6.2
227.14433	3.6
230.10979	2.3
231.11746	7.2
231.17427	4.7
232.12596	4.3
233.13275	11.1
233.15460	6.1
234.14096	3.9
235.14894	13.5
236.15482	2.5
237.16464	7.5
238.17001	2.0
239.17996	4.2
243.11870	4.0
244.12531	2.8
245.13203	10.7
246.14117	5.2
247.14867	11.5
247.17111	3.2
248.15643	4.4
249.16460	11.3
250.17319	2.6
251.18024	5.6
253.19547	3.0
255.17387	1.9
257.13312	3.0
257.19067	6.8
259.14832	6.0
260.15631	5.1
261.16333	9.0
263.18048	6.9
265.19629	5.0
269.19141	3.3
271.20584	3.2
273.16422	4.0
274.17017	2.2
275.17819	10.9
277.19684	4.5
279.21252	2.9
281.19150	2.4
283.20587	14.2
287.17719	3.6
287.20377	3.7
289.19534	4.3
291.17459	2.5
291.21313	3.0
293.19162	3.0
295.20560	4.8
297.22208	4.6
299.20285	2.5
301.19193	2.6
303.21158	2.9
307.20575	2.5
309.22330	2.4
315.21091	2.7
331.24255	5.7
347.23840	2.5
349.25369	6.3
352.24094	2.2
357.25806	2.9
366.25507	1.9
375.26813	8.2
390.69931	1.8
393.71066	1.7
403.29990	7.8
407.27789	1.9
413.17896	1.9
472.33545	1.7
491.34927	5.0
503.35165	6.1
547.39667	3.0
565.30450	3.2
565.40430	25.1
570.05719	1.8
583.22107	3.0
583.30469	10.4
583.41479	100.0
584.41626	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.05516	14.4
57.07068	8.0
59.05021	2.4
63.02467	1.7
65.03937	3.3
67.05509	23.7
69.03429	6.3
69.07067	22.6
69.93535	10.0
79.05499	22.7
81.07068	30.9
83.04981	8.0
83.08628	8.8
85.06548	5.2
87.04430	1.7
91.05482	37.7
93.07048	56.5
95.04962	8.0
95.08616	35.2
97.06535	6.2
101.56026	1.7
103.05469	2.1
104.77589	1.8
105.07031	66.5
107.08606	46.6
109.06506	6.3
109.10168	21.8
111.08077	2.7
111.11738	3.1
115.05477	4.2
116.06233	2.3
117.07021	13.3
119.04823	1.8
119.06091	2.9
119.08581	72.5
119.53603	1.8
121.06474	5.1
121.10149	51.6
123.08084	14.0
123.11710	5.0
125.06010	2.1
125.09627	3.9
128.06226	8.2
129.07022	14.9
130.07794	7.1
131.08577	28.9
133.06520	2.1
133.10130	35.4
135.08064	8.5
135.11696	17.3
137.06038	1.7
137.09633	8.5
139.11171	3.2
141.07004	7.6
142.07776	22.9
143.08559	35.3
144.09378	6.0
145.06412	2.1
145.10126	45.0
147.08081	8.7
147.11681	12.2
149.09631	8.7
149.13336	3.3
151.07545	14.4
151.11186	2.1
153.07007	4.5
154.07799	2.5
155.08575	15.4
155.10623	2.0
156.09361	14.6
157.10136	44.2
158.10907	6.4
159.08038	5.6
159.11690	27.0
161.09636	4.9
161.13289	5.8
163.11177	6.7
164.00269	2.0
165.06978	5.3
165.09109	15.2
166.07823	3.1
167.08586	8.7
167.10683	34.1
168.09375	6.5
169.10141	27.5
170.10878	5.7
171.11723	27.6
172.12352	3.1
173.09668	3.1
173.13289	23.4
175.11209	3.6
175.14857	10.2
177.09135	1.9
178.07777	2.4
179.08591	13.2
179.10742	2.1
180.09354	5.2
181.10103	11.6
181.12251	4.4
182.10919	8.0
183.08153	2.1
183.11691	25.0
184.12515	5.4
185.13269	13.5
187.11212	3.1
187.14825	6.6
189.12703	7.6
191.08624	1.8
191.14336	8.2
192.09277	4.5
193.10153	13.3
194.10904	10.0
195.11676	18.3
196.08626	2.3
196.12567	4.1
196.67339	1.8
197.13246	20.5
199.11215	2.5
199.14838	12.9
201.12752	2.3
201.16423	5.7
203.06999	6.7
203.14375	7.9
205.10133	4.2
206.10934	6.4
207.11723	14.6
207.13815	7.8
208.12576	8.6
209.13281	21.0
209.98520	1.9
210.14047	4.4
211.14873	8.5
213.16370	5.5
215.14227	2.3
217.15907	7.5
218.10905	3.1
219.11731	6.7
220.12686	3.6
221.13263	12.9
221.15404	30.2
222.14046	4.7
223.14810	14.2
225.16367	6.2
227.14378	2.8
229.10179	3.6
230.11029	2.5
231.11757	4.2
231.17444	2.9
232.12431	2.8
232.92183	2.0
233.13272	6.0
233.15416	9.6
234.14047	3.8
235.14867	10.9
236.15611	2.6
237.16440	7.2
239.17885	4.6
243.11899	1.9
244.12532	3.3
245.13251	5.4
246.14076	4.5
247.14771	5.9
247.17017	3.1
248.15422	2.2
249.16434	9.6
250.17174	2.1
251.18085	5.3
255.17520	4.2
257.13315	2.2
257.18982	5.1
259.14868	3.1
261.16354	6.6
262.17258	2.7
263.17938	5.7
265.19565	7.0
267.17502	1.9
269.18985	5.6
273.16513	5.7
275.17844	9.0
277.19571	6.7
279.21136	2.8
281.19043	2.3
283.20587	11.0
285.18723	3.7
290.20410	2.2
291.21124	2.7
293.18814	3.4
295.20483	3.3
297.22366	2.7
299.17435	2.4
299.20462	2.4
303.06516	3.6
307.20676	2.8
331.24255	3.4
335.23602	3.8
347.23920	3.6
349.25241	5.6
357.25717	2.8
359.23880	2.2
361.10712	6.5
363.12299	3.7
365.24786	3.0
375.26779	3.4
401.28574	2.4
403.29654	6.3
415.18692	5.0
472.17645	1.9
491.34964	2.4
509.33856	2.7
547.39404	4.5
565.29388	43.4
565.40186	22.4
583.30438	35.9
583.41302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.2
53.03936	5.3
55.01866	1.5
55.05515	15.9
55.25949	1.3
56.96572	2.2
57.07075	12.0
59.04996	4.6
65.03937	3.6
67.05508	23.4
69.03427	8.3
69.07071	20.1
69.23208	4.8
69.23630	12.0
74.82387	1.4
77.03899	2.6
79.05494	26.5
81.07063	33.2
81.34937	1.4
83.04976	5.7
83.08616	8.6
85.06523	7.0
85.12226	1.4
91.05488	42.4
93.07051	57.2
95.04990	9.7
95.08614	40.1
97.06530	5.8
97.10176	1.8
97.53410	1.5
99.09217	3.7
102.47679	1.4
103.05463	4.7
104.25040	1.4
105.07038	81.8
107.04980	1.8
107.08599	43.7
109.06511	9.7
109.10164	19.0
111.08072	4.6
115.05445	4.1
117.07034	17.5
119.08591	84.1
121.06491	7.3
121.10146	45.3
123.08067	20.3
123.11708	4.7
125.05981	3.4
125.09628	2.7
128.06230	10.1
129.07013	17.7
130.07796	7.6
131.08572	35.8
133.06500	4.0
133.10141	39.5
135.08058	10.7
135.11697	13.2
137.05998	1.9
137.09607	13.2
140.23862	1.4
141.06978	13.1
142.07787	23.8
143.08574	35.6
144.09380	8.8
145.10130	50.8
147.08057	22.4
147.11693	16.6
149.09613	9.9
149.13307	3.5
151.07535	19.3
151.11211	2.3
153.06996	6.4
154.07736	4.3
155.08559	16.1
156.09354	20.4
157.10133	52.1
158.10927	8.0
159.08073	4.3
159.11703	26.3
161.09563	7.4
161.13315	9.4
163.11212	8.5
165.07036	7.8
165.09111	42.0
166.07852	3.7
167.08601	12.8
167.10675	13.0
168.09392	6.9
169.10143	29.4
170.10945	9.5
171.08029	1.6
171.11714	33.1
172.12411	2.9
173.09732	4.1
173.13263	24.9
175.11179	4.2
175.14836	9.7
177.09059	2.0
178.07794	2.2
179.08531	19.2
180.09306	5.8
181.10164	16.5
181.12263	5.6
182.10902	8.4
183.11707	28.3
184.12512	5.9
185.09674	2.6
185.13275	21.3
185.23056	1.5
187.14850	6.4
189.12791	8.4
191.08562	3.1
191.14323	8.6
192.09297	7.2
193.10156	14.1
194.10947	11.1
195.11708	24.3
195.13458	2.9
196.12492	7.8
197.13284	23.7
198.14159	2.8
199.11238	2.3
199.14813	16.4
201.16476	4.2
203.07063	5.5
203.08762	2.8
203.14314	15.4
204.09462	2.7
205.10155	6.3
206.10924	8.6
207.11748	19.3
207.13867	7.8
208.12534	6.4
209.13266	26.8
210.14105	3.7
211.14854	11.2
213.12756	4.5
213.16458	5.4
215.14360	3.2
217.10179	3.8
217.15952	6.7
218.10864	2.5
219.11769	8.4
220.12474	4.5
221.13309	16.7
221.15422	71.2
222.14076	3.9
223.14796	17.1
224.15669	1.9
225.12767	2.0
225.16440	6.7
227.14433	2.6
229.10147	2.0
229.15880	2.3
230.10826	2.6
231.11729	6.0
231.17543	2.0
232.12566	4.9
233.13281	11.2
233.15463	6.5
234.14165	4.0
235.14891	14.7
235.17035	2.4
236.15591	3.5
237.12714	3.0
237.16391	6.3
239.18018	4.7
241.15875	2.4
243.11728	3.0
243.13986	1.8
243.17584	2.1
244.12390	2.1
245.13289	10.0
246.14009	3.0
247.14746	10.2
247.17067	2.7
248.15640	3.5
249.16399	11.5
250.17087	2.8
251.17917	6.2
253.15948	2.3
253.19527	3.1
255.17616	2.3
257.13269	3.1
257.19089	8.7
258.14072	3.8
259.14923	6.2
260.15665	5.3
261.16385	8.5
262.17041	2.3
263.18048	6.3
265.16449	1.9
265.19550	8.4
267.17447	2.9
269.18915	4.1
271.14862	3.1
271.20612	3.2
272.15631	2.1
273.16400	6.0
275.17938	10.6
277.19534	4.8
279.17889	1.6
279.21115	3.4
281.19122	2.2
283.20535	12.7
286.19550	1.9
287.17572	2.2
287.20291	3.5
289.19650	4.6
291.21048	1.7
293.18903	2.2
295.20657	4.8
297.22156	6.1
300.21100	2.4
301.19418	2.3
303.21146	3.2
307.20569	2.9
315.21216	2.2
327.21283	1.9
329.22534	2.7
331.24197	5.7
333.07584	1.9
347.23730	2.4
349.25366	9.2
352.23932	2.0
357.25848	2.8
361.25162	2.8
363.12189	13.1
365.24741	2.7
366.25787	1.7
375.26804	8.9
381.13254	8.4
403.30066	10.1
491.35211	5.8
503.35022	7.1
509.34024	3.8
547.39398	2.2
565.40540	26.3
583.41498	100.0
584.41492	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.01867	4.1
55.05519	14.9
55.68811	2.2
57.07060	8.5
59.04980	4.9
65.03934	4.0
67.05506	31.2
69.03425	7.4
69.07071	26.0
79.05492	31.1
81.03429	3.6
81.07064	48.0
81.31723	2.6
83.04982	9.3
83.08594	8.6
85.06536	6.1
89.05995	3.3
90.24660	2.0
91.05482	53.5
93.07050	66.2
95.04977	10.6
95.08609	42.5
97.06526	8.4
103.05465	5.3
105.04507	3.5
105.07037	98.9
107.04949	2.8
107.08596	60.9
109.06505	9.6
109.10161	30.9
110.21482	2.3
111.08051	4.0
111.11731	3.2
115.05445	5.6
116.06227	4.1
117.07008	21.6
119.08587	100.0
121.06499	8.8
121.10146	72.0
123.08044	13.8
123.11693	13.6
125.09605	6.1
128.06239	14.1
129.07039	18.4
130.07823	8.5
131.08583	44.8
133.06541	2.7
133.10141	53.8
135.08060	13.4
135.11713	21.9
137.09610	10.6
139.11227	4.7
141.06984	7.5
142.07773	23.4
143.08574	40.8
144.09314	6.5
145.06490	4.3
145.10132	63.2
147.08099	11.2
147.11679	19.9
149.09618	14.5
149.13249	4.4
151.07552	8.9
153.07027	4.4
153.12529	2.3
154.07770	2.5
155.08559	18.7
156.09334	19.6
157.10141	55.8
158.10867	10.2
159.08105	7.5
159.11671	32.0
161.09612	6.7
161.13245	9.9
163.11162	7.9
165.07042	8.1
165.09131	13.5
166.07726	3.5
167.08598	12.5
167.10684	47.9
168.09340	10.6
169.10156	29.7
170.10912	9.0
171.08049	2.4
171.11691	38.3
172.12497	3.2
173.09648	4.7
173.13277	35.0
175.11221	5.4
175.14874	11.5
177.05417	2.7
177.12672	2.7
178.07726	4.4
179.08591	14.5
180.09334	6.3
181.10147	15.2
181.12219	8.2
182.10840	8.1
183.11697	28.9
184.12500	4.4
185.09616	6.3
185.13252	16.3
187.11282	2.8
187.14848	12.7
189.12770	6.5
191.14340	9.3
192.09360	7.8
193.10081	17.5
194.11003	11.1
195.08014	2.4
195.11688	27.0
196.12500	8.7
197.09613	3.5
197.13254	24.0
199.11220	4.5
199.14821	26.9
201.16379	6.2
203.07053	12.4
203.14366	7.1
204.07417	3.2
205.10143	4.8
206.10896	4.4
207.11685	16.6
207.13629	4.1
208.12454	6.3
209.13243	25.9
210.14098	3.1
211.11368	3.8
211.14853	16.2
213.16347	3.0
215.14330	5.4
216.09401	2.5
217.10164	5.2
217.15910	16.2
218.10915	4.1
219.11667	8.6
220.12590	5.7
221.13234	15.4
221.15402	30.2
222.14073	3.9
223.14781	15.4
224.15561	3.4
225.12820	3.3
225.16420	6.9
227.14339	2.9
231.11684	6.8
231.17464	3.5
232.12476	3.8
233.13240	9.0
233.15413	18.4
234.14154	3.9
235.14807	13.8
236.15639	3.8
237.12714	3.2
237.16461	7.0
239.14246	5.1
239.17996	5.7
244.12564	2.9
245.13235	5.8
246.14171	4.9
247.14861	8.8
248.15477	3.0
249.16405	10.1
250.17091	2.9
251.17926	5.7
253.19615	3.1
255.17375	4.2
257.13138	2.7
257.19043	6.6
258.14325	3.4
259.14822	6.2
260.15622	4.7
261.16364	11.5
263.17975	6.2
265.19461	4.0
267.17615	3.5
269.19040	4.0
271.20679	2.8
272.15451	2.8
273.16141	3.5
275.17972	9.5
277.19449	4.7
281.18707	3.2
283.20566	12.4
287.17990	3.3
289.19525	2.6
295.20526	4.3
299.20456	2.5
317.22607	3.1
331.24008	3.8
343.24118	4.0
347.23849	4.4
349.25095	7.1
361.25269	4.0
375.26862	3.6
377.24481	4.0
433.12521	3.5
476.50583	2.4
491.35059	5.7
503.35248	3.8
565.29272	3.0
565.40265	13.6
583.30298	10.2
583.41388	81.2
584.40942	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.2
57.07058	2.6
67.05499	6.4
69.07071	15.8
70.77322	4.1
79.05500	8.2
81.03413	2.3
81.07055	17.0
82.07420	2.1
83.08613	3.5
85.02914	3.1
91.05477	9.9
93.07076	9.2
95.04972	3.5
95.08599	10.6
98.21007	2.9
105.07028	11.8
107.04990	3.4
107.08607	9.0
109.06499	4.4
109.10173	10.5
111.04459	1.9
111.08117	1.7
115.05483	2.9
117.07025	4.0
119.08601	11.2
121.06539	5.1
121.10139	6.3
121.34454	1.7
123.08047	4.0
128.06236	3.5
129.06990	6.3
131.08589	4.6
133.06508	2.5
133.10153	6.2
135.08011	4.4
135.11711	4.1
137.06007	1.8
141.07066	4.3
143.08598	5.9
145.06511	4.3
145.10149	6.7
147.08096	3.5
147.11658	2.6
149.02362	2.1
149.05977	3.5
149.13277	2.4
149.67566	1.6
153.07059	2.1
154.07782	2.5
155.08588	4.3
156.09297	1.9
157.10164	5.4
159.08090	2.5
159.11674	4.2
160.05084	1.8
161.02367	5.3
161.06050	5.1
163.11185	1.6
165.07086	2.9
167.08575	3.2
169.10187	2.2
170.07249	2.0
171.08095	4.3
173.05981	2.3
173.09750	2.1
175.07660	3.8
175.14908	1.9
177.05457	22.0
178.05779	2.7
179.08585	5.0
181.06525	1.9
181.10159	2.8
182.07227	1.8
183.08055	2.0
183.11749	2.5
185.05933	2.9
185.09642	3.7
187.03906	2.1
187.07611	2.4
187.11246	2.8
189.09102	4.3
189.12968	1.7
193.10089	2.4
195.08089	5.5
195.11771	3.2
197.09572	4.3
198.06815	3.1
199.07579	4.9
201.09079	3.0
203.07043	100.0
203.18080	1.9
204.07425	4.1
205.05017	2.2
205.12064	1.8
211.07631	4.2
211.11180	2.2
213.09154	4.4
215.10690	4.3
215.14253	1.8
221.13242	2.1
221.15338	3.1
223.07619	6.4
223.14934	1.9
225.09085	4.0
226.06236	2.2
241.08650	21.7
243.10162	16.6
245.11819	2.3
257.08054	5.4
269.08121	39.7
271.09619	4.6
287.22354	1.8
313.21780	3.5
321.22067	1.9
333.11145	3.3
341.21143	2.4
349.21747	2.1
379.11932	7.2
380.12198	3.9
381.12634	5.4
381.24280	11.0
384.07867	1.9
407.22116	4.9
419.67819	1.8
436.69720	2.7
436.76178	2.2
447.18271	2.6
449.19830	4.2
458.08063	1.9
463.21512	5.6
551.28064	4.5
565.29352	3.6
583.30341	85.3
583.41040	9.0
598.03821	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	583.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01848	1.3
55.05516	4.0
57.03421	1.1
57.07051	2.0
67.05507	6.8
69.03397	1.9
69.07066	12.9
71.56815	1.3
79.05501	6.1
81.03378	2.6
81.07066	10.3
82.82394	0.8
83.04963	1.2
83.08567	2.1
85.02911	4.1
87.96564	0.7
91.05484	10.3
93.06557	0.8
93.07040	8.7
95.04937	1.8
95.08604	6.9
97.06523	1.2
99.04404	1.1
103.05426	2.2
105.07032	7.7
106.22736	0.8
107.04885	1.1
107.08604	6.9
109.06470	3.4
109.10149	4.8
111.04411	3.2
113.05981	1.1
115.05463	1.9
117.06957	3.3
119.04896	1.8
119.08592	11.1
121.02818	1.5
121.06504	5.0
121.10091	3.4
123.08016	1.7
123.11729	1.0
125.05996	1.0
128.06206	1.8
129.06996	4.8
131.08598	3.9
133.06435	1.1
133.10138	4.4
135.04381	1.8
135.08008	2.2
135.11652	2.0
137.05974	1.4
137.09523	0.9
141.06923	2.7
142.07733	1.3
143.08493	3.3
145.06453	2.3
145.10127	5.3
147.04315	2.7
147.07967	3.5
147.11649	2.0
148.05107	1.5
149.02289	1.9
149.06007	4.1
149.13251	1.1
151.03867	1.4
151.07466	3.2
153.06921	1.6
154.07710	1.9
155.08530	4.5
156.09239	1.3
157.06366	2.0
157.10081	3.9
159.08002	2.2
159.11700	1.9
160.05098	1.4
161.02332	6.8
161.05962	4.5
161.09535	1.1
161.13210	1.0
163.03839	1.8
163.07439	0.8
163.11107	1.5
165.06960	1.5
165.09001	1.5
166.07762	1.2
167.03374	1.5
167.08516	2.3
169.06436	1.0
169.10133	2.2
171.08005	2.6
171.11671	1.9
173.09593	1.1
173.13248	2.0
175.03822	1.3
175.07484	2.6
175.14748	1.2
177.05475	31.2
177.09036	2.2
178.05856	0.7
178.07681	1.7
179.07004	2.1
179.08492	2.7
181.06448	1.6
181.10075	2.2
182.07210	2.1
183.08034	1.7
183.11653	2.1
185.06000	3.9
185.09540	2.8
185.13245	1.2
187.03833	2.0
187.07545	1.8
187.11070	1.0
187.14761	1.1
189.05441	1.0
189.09026	2.9
193.10068	2.0
195.07986	2.9
195.11568	2.6
197.05978	0.9
197.09547	1.8
197.13165	2.1
198.06625	1.7
199.07480	3.3
199.14854	1.1
201.09032	3.4
201.16299	1.5
203.03284	4.2
203.07028	77.9
203.18008	1.2
204.07317	1.1
204.09149	0.9
205.04828	2.8
205.10110	1.2
205.12036	0.8
207.11575	2.1
207.13470	1.1
209.09477	2.3
209.13127	1.6
210.06667	1.1
211.07402	2.3
211.11130	1.4
213.09077	3.8
215.10640	1.9
217.10158	1.2
219.11636	1.0
220.12436	1.4
221.09537	1.0
221.13216	1.6
221.15297	2.6
223.07465	2.1
225.09012	3.3
227.06960	1.0
227.10570	1.3
235.07478	0.9
237.09018	1.0
237.12668	1.0
239.10660	1.5
241.08601	9.5
241.12225	1.4
243.10161	9.6
247.14769	0.9
249.11026	6.1
249.16379	1.0
253.08282	1.0
253.12196	1.2
257.07813	1.7
269.08096	14.4
271.09418	1.2
281.18710	0.9
295.16956	1.3
303.09933	0.9
305.13391	1.5
307.09283	1.4
313.21512	1.4
339.15878	1.4
341.20932	2.7
351.12292	1.8
363.23083	1.1
379.11911	9.0
379.22211	1.2
381.24261	10.1
389.21133	1.8
405.14566	1.0
407.21851	3.5
473.26480	3.3
491.35013	2.2
537.29407	1.5
541.24915	1.1
547.28052	1.1
565.29565	16.7
583.29919	100.0
584.30090	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18748	0.9
53.03948	1.2
55.01868	1.4
55.05497	2.9
57.07051	0.9
62.16582	0.9
65.03929	1.2
67.05511	6.7
67.82059	1.2
68.39060	1.0
69.03426	2.1
69.07068	9.8
69.09484	0.9
70.69886	2.2
78.83276	1.0
79.05492	4.7
81.03421	1.5
81.07061	15.6
83.08610	1.6
85.02906	2.7
91.05483	10.1
93.07055	7.6
95.01340	1.7
95.04961	1.6
95.08624	10.0
103.05510	1.6
105.07034	15.3
107.04951	1.6
107.08607	8.3
109.06509	1.9
109.10157	7.8
112.89361	1.0
115.05489	1.5
117.07048	3.2
119.04962	1.9
119.08597	10.3
121.02861	1.0
121.06504	5.9
121.10152	6.0
123.08088	1.3
123.11706	2.6
125.06052	1.7
128.06183	1.8
129.06981	5.2
131.08556	4.9
133.06548	1.3
133.10146	8.7
135.08051	2.0
135.11714	2.3
141.06990	1.3
142.07793	2.8
143.08571	4.1
145.06483	2.4
145.10117	4.5
147.04425	3.7
147.08073	3.6
147.11632	6.2
149.02397	1.7
149.05975	9.1
151.07565	1.7
153.07030	1.8
154.07748	2.2
155.08522	7.4
157.06535	2.3
157.10161	3.9
159.04530	1.1
159.08076	2.6
159.11691	2.9
161.02328	5.5
161.06041	5.4
161.07233	1.2
161.13264	3.1
163.03888	1.7
163.07568	2.8
165.06973	1.3
166.07726	1.0
167.03481	1.3
167.08589	2.1
169.06563	1.2
169.10175	2.8
171.08112	3.6
171.11685	2.0
173.06013	2.5
173.13281	1.5
175.03973	2.1
175.07568	4.2
175.14883	3.1
177.05476	34.6
177.09103	2.2
177.36905	1.2
179.07086	5.0
179.08533	2.2
181.06561	1.8
181.10155	2.2
182.07304	2.9
183.08063	4.5
183.11682	2.2
185.06015	4.5
185.09607	5.5
187.03957	2.1
187.07588	4.5
187.11253	1.6
187.14827	1.2
189.05466	2.0
189.09126	3.5
191.07077	3.7
191.10660	1.3
192.09380	1.3
193.10182	1.6
195.08087	3.1
197.09615	4.3
197.13315	2.1
198.06805	4.0
199.07587	4.0
199.14873	1.4
201.09126	4.2
201.16438	3.0
203.03551	7.9
203.07037	100.0
203.17938	7.4
205.05038	3.6
205.08545	1.6
209.13208	1.5
210.06932	1.4
211.07544	4.0
213.05579	1.6
213.09109	25.2
215.10709	3.4
217.04922	1.3
221.09668	1.8
221.13344	1.7
223.07643	2.7
223.11266	1.3
225.09103	14.1
225.12704	1.4
226.09927	4.3
227.06985	2.0
227.10626	1.8
229.08664	3.4
229.16022	1.2
237.09074	1.3
239.10709	1.4
241.08641	13.1
241.12245	1.5
243.10181	34.7
249.09029	1.2
249.12810	1.7
257.08130	3.3
263.17996	2.1
269.08109	17.9
271.09705	5.6
281.15421	1.7
287.09134	1.3
295.09702	1.4
295.20776	1.2
313.21667	7.5
315.23587	1.4
321.22076	2.3
323.20212	4.7
331.09427	1.2
333.11118	1.7
341.20990	1.9
342.08588	1.1
349.21680	6.1
351.12430	3.6
353.24884	1.5
363.23450	1.7
379.11765	27.3
381.13388	3.6
381.24228	19.9
385.14459	1.5
389.21115	1.3
407.22260	3.5
409.15799	1.4
427.15277	1.6
433.16592	1.5
445.16498	5.0
447.17960	3.2
479.00290	1.1
491.35822	1.4
499.21341	1.1
533.27173	1.8
551.27814	4.2
565.29541	4.5
583.30579	85.3
584.30579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
54.54964	0.4
55.01838	0.5
55.05515	0.4
65.03917	0.6
67.05498	0.8
69.07072	2.3
69.54412	2.1
69.87188	0.3
79.05486	1.4
81.07072	1.7
85.02909	1.7
89.03905	0.4
91.05487	4.9
93.07039	1.6
95.01300	0.4
95.04951	0.7
95.08591	0.7
96.79363	0.3
103.05448	0.5
105.07040	3.1
106.04189	1.6
107.04914	0.4
107.08582	1.2
109.06505	1.1
109.10177	0.8
111.04435	0.7
115.05424	0.4
117.07056	0.5
118.04174	0.6
119.04922	1.6
119.08588	3.5
121.02879	3.0
121.06514	9.1
121.10095	0.8
129.06990	0.9
131.08646	0.7
133.06487	0.8
133.10136	0.8
134.03673	1.6
135.04439	0.6
135.07991	0.5
135.11688	0.8
142.07767	0.4
144.05711	0.5
145.02835	1.0
145.10126	0.7
147.04407	5.3
147.08084	1.8
147.11752	0.5
148.05174	2.8
149.02353	1.0
149.05991	9.8
151.07536	0.8
155.08539	0.5
157.06500	0.6
157.10138	0.6
159.11713	0.4
160.01520	1.7
161.02336	4.3
161.05978	2.4
162.03191	0.5
163.03922	0.9
167.03482	0.3
173.79117	0.4
175.03928	2.6
175.07552	1.3
177.05476	70.5
179.07018	0.8
179.08514	0.7
183.08092	0.7
185.05977	2.0
188.01071	0.8
189.09099	0.5
195.08028	0.8
199.07524	1.2
201.09001	0.4
203.03416	20.2
203.07036	65.0
203.18057	0.4
204.04158	1.1
205.04959	2.4
211.07539	0.5
213.09119	0.6
223.07574	0.4
225.09143	0.7
231.70712	0.3
235.07465	0.3
241.08655	1.6
243.10188	1.4
249.09142	0.4
257.08102	1.5
269.08087	4.1
293.04849	0.4
293.08133	0.9
295.09637	0.4
295.13483	0.4
301.08621	0.4
303.06421	0.6
305.11765	0.4
315.23199	0.7
318.09006	0.7
319.06598	0.4
319.09738	2.0
321.07663	0.9
323.12930	1.2
333.11172	4.7
335.12769	0.4
341.21048	0.4
347.09232	0.9
348.10007	0.4
349.10709	0.6
349.21719	0.4
351.12274	4.4
361.10278	0.7
379.11768	28.3
381.13165	0.4
381.24271	7.9
407.22202	2.7
523.28729	0.7
551.27277	0.4
583.30560	100.0
584.30841	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01862	1.5
55.05513	5.2
57.07068	2.4
62.43622	0.7
66.46088	0.7
67.05512	4.8
69.03426	1.3
69.07071	15.7
69.36529	0.8
70.76515	2.2
79.05503	4.4
81.03414	2.2
81.07063	10.1
83.08623	1.9
85.02910	1.9
85.41440	0.8
91.05482	6.7
93.07038	3.0
95.01333	2.0
95.04980	1.8
95.08613	6.5
103.05469	1.1
105.07021	5.8
107.04985	1.9
107.08612	4.2
109.06507	1.6
109.10169	4.3
114.76766	0.8
115.05453	1.5
117.07018	2.3
119.04967	2.6
119.08591	4.7
120.02055	0.8
121.02803	0.9
121.06546	1.5
121.10131	1.5
123.11684	0.8
128.06232	1.4
129.07004	3.4
131.04901	1.1
131.08559	2.6
133.02962	0.8
133.10126	2.9
135.04443	1.7
135.08012	1.6
135.11659	1.7
137.13306	1.7
141.06999	2.9
142.07784	2.0
143.08556	3.0
145.06474	3.1
145.10141	2.3
147.04416	2.6
147.08067	3.8
147.11659	2.6
149.02333	3.2
149.05992	2.9
151.03880	0.8
153.07027	2.4
154.07773	1.6
155.08554	7.5
157.06477	1.9
157.10147	2.6
158.07283	1.2
159.08066	3.7
160.05246	1.2
161.02339	8.0
161.06020	5.2
161.09596	1.1
163.03922	2.2
163.07550	1.7
165.06966	2.4
166.07736	1.2
167.08540	3.9
169.06529	1.8
169.10158	3.6
171.08060	3.4
171.11687	1.0
172.08824	1.8
173.06007	1.7
173.09662	2.3
174.06882	1.0
175.03944	1.6
175.07558	5.5
177.05484	8.2
178.07796	1.8
179.07080	1.1
179.08572	3.8
180.09355	1.0
181.06505	1.8
181.10164	3.5
182.07304	3.3
183.07988	4.4
183.11710	1.6
185.06000	3.9
185.09601	5.6
187.03894	3.3
187.07556	3.0
187.11215	2.3
188.08295	1.1
189.05550	1.9
189.07518	0.9
189.09111	5.0
191.07062	2.4
191.08606	1.6
192.09500	1.2
193.10156	2.1
194.10945	0.8
195.08044	4.1
195.11710	2.4
197.05960	2.5
197.09622	7.8
198.06779	3.8
199.07555	2.8
201.05504	1.4
201.09178	4.4
203.07040	100.0
204.07385	0.8
205.10228	2.0
206.10921	1.0
207.08223	1.3
207.11732	1.3
208.08855	1.9
209.09653	4.6
209.13365	2.0
210.06764	2.9
210.10437	1.3
211.07559	7.7
211.11143	2.0
212.08293	1.8
213.09123	19.2
214.09671	1.0
215.10712	3.7
219.08127	1.8
219.11726	1.0
221.09634	4.7
221.13200	1.0
223.07539	2.3
223.11191	3.5
225.09123	15.1
225.12627	1.6
226.06305	1.2
226.09886	7.2
227.07060	3.3
227.10674	4.1
229.08626	4.6
233.09590	2.2
233.13269	1.4
235.11177	3.7
237.09087	3.0
237.12836	2.1
238.10016	1.3
239.07018	1.6
239.10689	4.0
241.08563	4.8
241.12373	2.1
243.10173	29.5
247.11082	1.8
248.11975	2.3
249.12729	2.8
251.07053	4.4
251.10596	2.1
253.08548	2.6
253.12238	2.5
255.10153	1.2
257.08069	1.7
259.09662	1.2
263.14215	1.4
265.12256	4.2
265.15683	1.1
269.08179	3.2
269.11688	1.4
281.15335	1.0
289.15485	0.9
291.17398	10.8
307.20508	1.6
309.18411	2.1
309.82684	1.1
313.21597	1.1
321.22156	14.6
323.19983	1.8
324.11584	0.9
331.20602	1.8
332.21246	1.1
341.11972	1.0
341.21094	1.4
349.21631	17.2
351.10410	1.2
353.24509	1.2
354.55396	1.0
363.23450	1.3
367.13248	3.0
369.11292	2.0
379.11673	2.8
381.13629	3.6
381.24265	22.9
385.14435	1.1
389.20926	0.9
399.16068	5.1
407.22339	4.3
415.15359	2.0
423.38788	0.9
427.15244	3.4
445.16473	33.2
447.17914	2.2
505.27509	2.0
507.29028	2.3
523.28601	1.4
533.27222	3.9
537.29865	1.6
547.27832	1.3
551.27960	3.5
553.29620	1.1
565.29547	8.7
583.30499	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	583.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86667	0.8
59.17659	0.9
67.05504	1.2
69.07073	2.6
70.61039	2.6
70.68639	0.8
70.88978	0.9
71.91106	1.0
79.05501	2.2
81.07046	2.2
85.02916	1.7
90.23213	1.0
91.05460	6.4
93.07069	2.7
95.01360	0.9
95.08639	1.9
98.21151	1.9
105.07033	3.8
106.04227	2.1
107.08588	2.4
109.06554	1.7
109.10164	1.8
118.04154	1.4
119.08583	4.4
121.02885	4.2
121.06516	10.9
128.06166	1.1
129.07057	1.2
129.83189	0.9
131.08578	1.4
133.10129	1.6
134.03670	1.4
145.10152	1.9
147.04437	4.2
147.08066	2.1
148.05200	3.8
149.02299	1.6
149.05997	11.6
151.07661	1.1
152.63629	0.9
155.08575	1.2
160.05096	1.1
161.02318	5.4
161.05975	3.1
165.09192	1.1
169.10216	1.3
175.03938	1.7
175.07594	2.2
177.05487	76.8
179.07056	2.0
185.06024	3.4
185.09853	1.0
187.03905	1.8
189.09122	1.6
194.10193	1.0
198.06711	0.9
203.03453	14.9
203.07039	82.1
204.04317	1.4
204.07458	1.2
205.05014	3.8
213.09134	2.9
221.15572	1.2
225.09106	2.3
226.09901	1.9
241.08672	1.1
243.10222	4.0
269.08185	3.3
271.09610	1.0
305.11676	1.1
313.21701	1.5
319.09787	2.3
321.07974	1.0
333.11395	1.3
351.12271	5.5
370.46719	0.9
379.11819	35.7
381.13550	2.8
381.24146	5.1
407.22119	1.1
434.81219	1.1
445.16452	1.6
499.37283	1.0
583.30579	100.0
584.30933	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	583.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28439	1.2
53.24122	1.2
53.70019	1.1
55.01874	2.2
55.05513	5.0
57.07077	2.9
67.05505	6.2
69.07069	13.8
70.75668	2.0
75.79910	1.4
79.05502	5.3
81.07064	20.1
83.08643	2.5
85.02904	2.8
86.94971	1.1
91.05485	11.0
93.07040	9.3
95.01360	1.7
95.04990	3.4
95.08620	11.7
97.06533	1.5
105.07031	17.5
107.04960	3.1
107.08611	9.5
109.06541	2.8
109.10143	7.7
115.05494	3.6
117.07017	5.4
119.04970	2.2
119.08595	15.8
121.06512	4.9
121.10146	5.6
123.08083	2.4
123.11729	4.0
128.06326	2.0
129.07039	4.4
131.08600	4.1
133.06546	2.6
133.10091	7.4
135.04439	2.5
135.08060	2.5
135.11685	2.6
137.13277	3.6
140.15363	1.2
141.07051	2.5
142.07780	2.9
143.08557	3.1
144.05792	2.0
145.06528	2.8
145.10135	8.8
147.04385	2.9
147.08098	4.0
147.11705	5.5
148.05244	1.6
149.02351	1.8
149.05995	5.0
149.13327	1.3
151.07565	3.6
153.07027	2.1
154.07826	1.2
155.08534	11.2
157.06487	1.7
157.10132	4.0
159.04375	1.3
159.08105	5.6
159.11719	6.3
161.02357	6.3
161.05940	7.7
161.09673	1.5
161.13335	1.9
163.03935	1.9
163.07570	2.6
165.06996	1.7
166.07799	2.1
169.06499	2.9
169.10182	2.8
171.08034	3.1
172.08934	1.9
173.06046	4.1
173.09592	2.6
173.13387	1.9
175.03894	3.4
175.07547	8.0
175.14888	1.7
177.05481	24.0
177.06888	2.2
177.09096	3.5
179.07088	4.4
179.08626	2.2
181.06560	1.3
181.10138	2.9
182.07281	3.1
183.08046	8.3
183.11734	1.8
185.06015	5.5
185.09669	5.3
187.03998	3.8
187.07619	6.2
187.11235	2.3
188.08441	1.9
189.05487	2.8
189.09120	9.6
191.07069	6.0
194.07388	1.2
195.08075	3.8
195.11807	2.4
196.08774	1.3
197.06129	2.0
197.09669	5.6
197.13385	2.3
198.06783	6.3
199.07541	3.5
201.05507	1.5
201.09155	5.6
201.16440	4.3
203.03430	28.7
203.07040	100.0
203.17993	2.5
205.04965	6.6
205.08519	1.5
207.11630	2.0
209.09587	2.7
210.06862	4.2
211.07565	9.2
211.11183	2.4
212.08327	2.9
213.09126	31.8
215.10727	3.3
219.06532	1.7
223.07553	1.6
223.11282	2.0
224.08400	2.0
225.09105	32.0
226.09894	16.0
227.07018	7.2
227.10759	3.5
229.08566	9.7
231.10106	1.8
235.07529	1.5
239.10747	3.8
241.08521	7.4
243.10184	41.3
249.09221	1.8
251.07079	2.4
251.10782	1.9
253.08635	8.2
253.12196	2.8
255.10146	1.5
257.08163	2.6
257.11880	1.6
259.09647	2.4
265.12259	1.8
267.10364	1.6
269.08200	4.6
271.09763	4.1
275.10782	1.4
279.10339	1.9
279.13675	1.3
279.17203	1.4
281.15463	1.7
291.10123	2.2
291.17432	1.7
305.08157	1.3
309.18201	2.0
313.21805	1.5
316.97073	1.4
321.22092	1.6
323.20099	2.8
341.21274	5.0
349.21747	4.2
351.12387	5.8
363.12338	4.3
363.23306	1.9
364.24042	1.7
375.12289	1.8
377.13947	1.9
379.11127	8.0
379.15363	4.8
381.13419	16.6
381.24228	11.0
385.14655	1.7
389.21124	2.1
393.13443	1.5
395.15671	1.5
399.16220	2.5
407.22192	14.6
415.15460	4.5
417.16779	1.7
427.15433	2.7
429.16980	4.2
445.16544	16.7
447.18033	10.2
473.19901	2.3
491.35193	2.8
495.29062	2.3
523.27948	1.5
527.24292	2.2
533.25946	1.5
547.28821	1.6
551.28204	5.9
553.29401	1.7
565.29596	8.3
583.30560	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.8
55.05512	3.1
57.07073	1.2
61.57588	1.1
67.05497	4.9
69.03428	1.6
69.07068	11.6
69.91370	3.1
69.91787	2.4
73.11530	1.0
79.05500	4.3
81.03419	1.3
81.07054	14.3
83.08619	1.2
91.05477	7.2
93.07040	6.0
95.04972	2.7
95.08600	9.0
103.05506	1.7
105.07037	10.9
107.04933	1.6
107.08595	6.3
109.06509	2.8
109.10159	5.6
115.05476	1.5
117.07027	4.0
119.04941	2.8
119.08589	11.6
120.15913	1.1
121.02892	1.3
121.06521	4.1
121.10154	3.7
123.08041	1.5
123.11796	2.3
128.06210	1.8
129.07010	4.3
131.04898	1.2
131.08557	6.0
133.02954	1.1
133.10152	4.5
135.04399	0.9
135.08049	1.4
135.11711	1.8
135.73561	1.0
137.09711	1.6
137.13248	1.4
141.07008	1.5
142.07799	3.9
143.08571	5.2
144.05693	1.8
145.06500	2.4
145.10205	5.6
145.11179	1.1
147.04449	3.2
147.08066	5.3
147.11693	2.9
148.05235	1.6
149.02362	2.3
149.06027	2.1
149.09622	1.3
149.13246	1.4
151.03951	1.5
151.07639	1.8
153.06970	2.8
154.07813	1.4
155.08562	13.5
156.09303	2.6
157.06511	2.6
157.10141	6.6
158.07259	1.5
159.08080	4.1
159.11746	4.5
160.05150	1.5
161.01167	1.4
161.02315	6.1
161.06015	4.3
161.09622	1.4
161.13113	1.1
163.03941	1.1
163.07582	1.7
165.06966	2.4
165.09082	2.0
167.03421	2.3
167.08594	2.6
169.06502	2.4
169.10112	2.2
170.07338	2.2
171.08098	2.4
171.11690	1.3
172.08836	1.5
173.05980	1.7
173.09639	4.5
173.13269	2.4
174.06812	2.7
175.03998	2.0
175.07603	7.5
177.05487	18.3
179.08560	2.3
181.06448	2.3
181.09962	2.3
182.07286	5.7
183.08084	8.5
183.11693	1.7
185.06006	3.5
185.09592	10.3
185.13248	2.3
187.03908	3.0
187.07582	3.8
187.11194	1.3
187.14886	1.7
188.08348	1.9
189.05487	1.4
189.09120	10.1
191.07086	3.0
193.10144	2.3
195.08076	3.5
195.11729	2.2
197.06033	2.4
197.09624	15.1
197.11336	1.4
197.13278	1.6
198.06786	10.9
199.07527	3.0
199.11270	1.7
199.14909	1.4
200.08371	1.7
201.05441	3.2
201.09093	6.8
201.16414	1.7
203.03456	5.0
203.07036	80.0
205.04890	2.8
209.09718	2.2
209.13345	2.2
210.06842	4.3
211.07533	11.2
211.11183	1.2
211.14874	1.5
212.08318	2.4
213.09113	58.5
215.10716	3.0
221.13434	1.4
221.15419	4.1
223.07648	1.3
223.14792	1.3
224.08458	1.7
225.09119	36.7
226.09888	18.9
227.07086	5.4
227.10724	1.3
229.08594	9.0
233.13159	1.2
237.05495	1.2
237.09138	1.9
239.07079	3.0
239.10715	4.0
241.08647	6.1
241.12259	1.7
243.10176	54.1
249.12727	1.2
251.07048	11.7
251.10687	1.4
253.08672	6.8
253.12354	1.7
255.10263	3.2
257.08099	4.2
259.09854	1.9
265.08508	1.6
265.12277	1.2
269.08209	2.0
275.10745	1.3
283.09689	1.5
291.10184	1.7
307.09415	5.1
323.20386	1.4
327.10062	1.6
341.11667	1.3
341.21042	1.1
349.12354	1.8
349.21463	1.4
351.09991	1.4
352.10782	2.0
353.11862	2.3
353.24792	3.7
355.09464	1.3
355.13351	1.5
359.16324	1.4
363.23239	3.6
367.13318	7.2
368.14301	1.4
369.07230	2.1
369.11246	3.0
379.11282	1.7
379.15378	15.7
381.13721	2.2
381.24130	9.4
383.12595	2.4
385.14697	2.5
389.21170	1.3
393.11050	1.3
395.12778	3.4
397.10678	3.1
399.16077	12.1
407.12515	1.5
407.22269	2.9
411.16202	1.4
412.13034	2.1
413.13669	2.6
415.15518	7.7
423.15988	9.9
427.15356	11.1
429.16864	2.6
441.17242	2.8
445.16507	100.0
446.16714	2.1
447.18262	8.6
459.17914	1.5
491.35135	6.3
537.29358	1.5
547.28564	8.3
551.28058	4.1
565.29675	7.1
583.21735	2.2
583.30396	31.9
583.40845	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	583.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18655	0.4
56.05001	1.7
57.03418	1.0
59.04971	1.5
60.05625	0.8
61.17132	0.4
64.84634	0.3
69.03401	1.8
70.00797	1.9
70.06577	0.7
71.01360	3.8
71.04961	1.4
71.52093	0.4
72.08134	0.4
73.02890	1.3
79.05474	0.7
83.01321	0.5
83.06073	1.7
85.02908	6.6
87.04468	3.1
91.05445	0.4
97.02893	3.9
98.97560	0.4
99.00785	1.6
99.04433	1.3
101.02387	1.2
105.03394	1.4
105.05762	0.6
106.06543	0.4
111.04391	0.8
111.05581	5.7
113.02344	1.7
113.07101	1.8
115.08670	0.5
117.05560	0.6
120.04474	8.1
123.05531	1.1
126.05781	0.4
126.06638	6.0
127.03912	0.5
127.07404	0.7
131.03366	1.0
132.04460	14.7
132.08073	0.5
134.06027	4.4
137.04665	1.1
140.08176	0.9
145.03944	0.7
146.02332	0.6
149.07086	0.6
150.05486	1.1
151.06154	5.6
159.05548	0.5
161.07095	0.8
162.06760	0.4
165.06616	0.8
168.08813	1.0
170.05641	0.4
175.08722	0.6
187.08783	0.7
193.26131	0.4
200.68936	0.4
202.09770	11.3
203.08046	0.6
216.11363	2.0
230.09271	7.8
231.07584	3.0
231.12436	1.1
232.10915	4.0
232.13133	0.6
233.13870	0.4
242.09306	2.7
246.08765	0.7
257.10315	3.4
259.11914	62.2
260.12378	0.6
264.12277	0.6
277.12939	7.4
284.11417	5.0
301.14053	1.2
302.12482	24.7
305.11380	0.7
316.84024	0.4
317.16125	2.6
333.15448	2.1
351.16653	16.5
358.15109	3.3
376.16132	2.0
393.18723	11.8
421.17276	0.5
424.59940	0.5
435.19769	0.8
447.18643	0.5
523.20215	0.5
541.21490	9.8
555.73541	0.5
565.22308	1.1
573.00201	0.4
583.23608	100.0
584.24329	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1239
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
54.00706	0.5
55.05508	0.9
56.48387	0.6
56.66463	0.5
56.96572	0.9
57.03426	0.6
61.72201	0.5
65.94811	0.5
67.05499	2.0
69.03398	0.7
69.07069	1.3
71.31167	0.6
71.56221	0.9
79.05504	1.5
81.03426	0.9
81.07044	2.4
82.17834	0.5
85.02886	1.0
91.05469	2.1
93.07038	2.0
95.01349	0.6
95.08625	3.4
96.08936	0.6
97.02855	0.6
98.97579	0.9
105.03349	0.6
105.07011	2.9
107.01332	1.3
107.04965	1.9
107.08605	2.7
107.45659	0.5
108.02110	0.9
109.10159	2.4
115.05466	0.7
117.03463	0.8
117.06977	0.8
118.04183	2.1
119.04968	0.8
119.08601	2.2
120.08965	0.8
121.02831	0.9
121.10159	1.5
123.00801	3.0
123.11723	1.1
124.01611	1.0
127.03853	0.6
128.06161	0.6
129.07016	1.3
131.08530	1.4
133.10126	1.7
134.03651	1.6
135.04431	1.6
135.11726	1.4
137.02327	1.7
137.05994	2.4
145.02843	0.6
145.10162	0.8
147.11642	1.4
149.02357	9.1
149.13254	1.0
151.03891	0.8
152.01042	8.5
153.01855	5.0
154.02664	1.6
155.04854	0.8
157.10133	0.7
159.11697	1.3
161.05989	0.9
161.13251	0.7
163.03937	0.8
164.04698	20.8
168.05670	0.7
169.06499	0.8
170.02119	4.0
171.04422	1.0
171.08060	2.1
173.13264	0.9
177.05397	0.6
178.02646	0.8
181.06471	0.8
183.02943	0.7
183.04417	1.0
184.05203	1.1
185.05977	1.0
187.03918	1.1
187.14764	0.7
188.04715	0.5
189.16441	0.7
197.05965	2.1
198.06853	1.0
199.03853	0.7
199.07614	2.0
200.04684	0.8
201.05348	0.6
201.16418	0.6
203.03412	0.8
203.07047	0.9
203.17990	0.8
207.95154	0.5
211.03929	1.4
213.05504	2.2
213.09033	3.6
215.07133	0.7
216.04156	1.3
219.01758	0.8
224.04762	0.8
225.05562	1.7
226.06242	3.3
227.03461	1.0
227.07095	0.9
228.04227	1.1
229.04979	9.4
231.03021	1.0
237.05423	3.5
239.03378	0.6
240.04160	1.5
240.07843	3.7
241.04958	3.1
244.03731	1.7
245.08228	0.6
252.04202	5.3
253.04964	4.8
254.05748	4.8
255.02946	12.6
255.06544	6.8
256.03754	2.0
257.04480	6.6
267.06638	1.1
268.03632	1.9
268.07275	2.0
269.04749	3.3
269.08090	56.8
271.06049	8.0
272.03287	0.9
279.03961	0.8
281.04446	1.4
283.02679	1.0
283.06049	6.0
284.03232	4.8
284.06799	1.5
285.04004	7.8
285.07593	2.1
286.04642	4.7
287.05621	2.6
298.04657	1.2
299.05490	13.0
300.02664	2.9
300.06342	6.9
301.03720	1.0
301.07071	22.0
315.04965	8.5
316.05771	16.6
376.75247	0.5
405.09726	0.9
416.08890	0.7
431.11307	1.5
481.08755	1.3
482.23611	0.7
565.11505	0.9
565.30225	1.1
582.38940	1.1
583.12347	100.0
583.30206	11.3
584.12787	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	583.1242
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
50.47202	0.4
55.05511	0.4
61.29842	0.3
67.05505	0.5
69.96272	0.4
70.37318	1.5
73.78209	0.3
76.86886	0.3
79.05487	0.6
81.07037	0.4
81.57191	0.3
91.05498	0.8
93.07064	0.6
95.08607	0.7
96.56105	0.3
97.02913	0.4
98.21405	0.5
105.07026	0.6
107.08595	0.9
109.10211	0.5
119.04955	0.8
119.08617	0.5
121.02898	0.7
121.06520	0.7
121.10139	0.4
123.08028	0.4
127.03952	0.4
131.08571	0.5
134.03616	2.6
135.04433	2.8
135.11714	0.6
137.02344	7.2
137.05983	0.5
139.05424	0.5
141.06963	0.9
147.04492	0.4
149.02356	3.1
151.03929	0.7
155.04936	1.3
157.06541	0.5
161.05984	0.8
163.03889	0.5
164.04695	6.1
164.58534	0.4
167.03448	1.2
168.05838	0.6
169.06557	0.5
171.04424	0.8
172.05313	0.4
173.13368	0.5
175.03955	0.5
177.05458	0.4
183.04500	1.1
184.05295	0.6
185.05995	0.7
186.06679	0.8
187.03975	1.1
187.07466	0.4
189.05519	0.6
195.04475	1.4
196.05281	0.7
197.06038	1.8
200.04678	1.4
201.05522	0.5
211.03928	0.8
212.04726	0.8
213.05481	8.0
213.16277	0.4
214.06239	2.3
215.03421	1.5
224.04753	0.5
225.05493	5.5
227.07030	0.5
228.04170	3.5
229.05000	0.6
229.08635	0.9
237.05481	0.4
239.03412	10.0
240.04291	0.8
241.04927	5.3
243.06596	1.8
252.04242	0.7
253.04965	5.5
254.05638	0.8
255.06551	2.8
256.03745	1.5
256.07355	1.1
257.04547	1.1
265.04987	1.0
267.02927	3.6
268.03696	5.4
269.04474	6.4
270.05237	10.8
271.06027	5.1
282.05325	0.7
283.06033	8.7
284.03210	2.6
284.06857	3.9
285.04285	1.6
285.07587	38.1
297.07706	0.4
299.05615	6.4
299.09009	0.8
300.06299	13.7
301.07117	0.6
319.06259	0.4
321.07736	0.7
333.07639	0.6
346.04691	0.5
347.05655	0.7
348.06375	1.3
349.07300	0.6
361.07050	1.8
362.07980	1.5
371.43387	0.4
376.05832	0.9
389.06662	1.3
390.07449	2.9
391.08191	4.4
395.09650	0.5
405.06439	1.0
417.06012	6.4
435.06787	0.8
453.09891	0.5
467.11658	0.5
481.08835	0.4
521.08789	0.7
522.09235	0.4
523.10669	0.9
526.09052	0.9
537.11658	0.9
539.83948	0.4
541.11292	0.8
550.08868	0.7
551.09619	0.7
555.13019	2.1
556.53479	0.5
564.65314	0.5
565.11377	2.5
583.12396	100.0
584.12292	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	581.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.05516	2.4
65.03938	1.8
67.05514	7.4
69.03466	1.5
69.07073	4.8
69.35907	1.1
69.41032	1.3
71.57918	1.8
73.60648	1.1
75.81242	1.0
79.05491	7.2
79.32181	1.1
80.71642	1.1
81.03429	3.8
81.07059	9.1
91.05477	11.2
93.07049	12.8
95.04986	3.8
95.08627	5.3
98.01981	1.2
103.05486	2.1
105.03379	1.1
105.07045	13.5
107.04971	2.2
107.08612	14.0
109.06490	2.2
109.10165	8.7
115.05475	1.6
116.06224	1.3
117.07053	5.0
119.04939	2.8
119.08608	12.7
121.06538	3.0
121.10153	4.8
123.04427	1.5
123.11793	2.0
128.06227	4.1
129.07027	6.3
130.07751	1.5
131.04935	2.0
131.08551	5.8
133.10158	5.3
135.04437	2.3
135.08099	3.8
135.11693	8.9
141.07033	4.5
142.07805	2.0
143.08557	6.1
145.06540	3.6
145.10153	9.1
147.04460	2.3
147.08070	6.2
147.11711	4.2
149.02365	3.2
149.05989	1.3
151.03975	3.0
151.07552	2.5
151.77753	1.2
153.07034	2.8
155.08548	6.9
155.86603	1.2
156.09372	1.8
157.06488	2.8
157.10187	4.6
158.07367	1.9
159.08078	4.4
159.11723	3.2
160.05295	1.7
161.02373	6.7
161.05994	6.9
161.09593	1.9
161.13335	2.2
163.03946	1.9
163.07568	2.0
165.07066	3.4
167.08589	3.4
169.10193	3.8
171.08049	3.5
171.11766	1.5
173.06030	2.7
173.09648	3.5
173.13155	1.3
174.06876	1.8
175.03999	2.4
175.07640	5.5
175.11234	1.4
177.05501	8.6
178.07796	1.4
179.07120	1.9
179.08617	4.1
180.09528	1.4
181.06506	2.4
181.10196	3.5
182.07321	2.4
183.08105	3.5
183.11752	2.2
185.06042	4.6
185.09660	3.7
185.13174	1.8
187.03958	3.9
187.07620	1.9
187.11191	1.7
187.14871	2.2
189.05516	4.0
189.09109	6.3
191.07082	3.6
191.08705	1.9
191.10710	1.4
193.10234	3.4
195.08089	2.9
195.11757	4.6
196.08997	1.4
197.05994	2.0
197.09615	6.4
197.13324	1.5
198.06866	3.9
199.07637	5.1
199.14847	2.8
201.05550	2.9
201.09113	6.9
201.16371	1.8
203.07043	100.0
204.09476	1.7
205.04944	5.7
205.10274	2.2
206.10997	1.4
207.08170	2.0
207.11784	3.5
209.09743	3.0
209.13338	2.7
211.07625	5.4
212.08340	2.4
213.09108	16.3
214.09853	1.4
215.06989	1.5
215.10747	3.0
217.08554	2.8
218.10994	1.6
219.11789	3.6
221.09802	2.0
221.13322	3.1
222.10495	1.9
223.11249	3.3
223.15182	1.2
225.09093	10.8
225.12711	2.9
226.09956	3.7
227.07083	3.9
227.10687	2.3
229.08534	5.8
229.12231	2.1
232.08971	1.3
233.09763	2.2
233.13214	2.2
234.14836	1.2
235.11227	1.9
235.14828	2.6
237.12775	4.3
237.16228	1.3
239.10748	3.0
241.08444	5.7
243.10181	61.2
245.13252	1.8
247.11292	2.3
247.14897	2.3
249.09059	1.6
249.12889	2.4
249.16467	2.0
251.07089	2.9
251.10808	3.0
251.14432	2.6
251.17943	1.3
253.12355	2.4
255.10243	3.0
255.14030	1.7
257.13034	1.2
261.12982	1.5
261.16592	2.5
263.10748	3.3
263.14200	1.9
265.08844	1.1
265.12332	4.9
267.14005	2.1
269.08167	8.6
279.13931	7.5
279.17206	1.9
289.15872	6.3
291.10556	1.8
291.13907	4.1
293.19043	4.4
297.14957	1.3
301.19507	1.7
305.12015	1.3
305.15396	3.2
305.18857	1.4
306.16241	2.3
307.16907	7.8
311.20276	1.6
313.35559	1.3
317.19144	1.8
319.20581	8.6
321.18552	18.2
329.19260	4.3
330.19788	2.2
337.17944	1.7
339.19513	9.4
345.09741	3.0
345.18604	1.6
347.20032	12.7
349.21646	1.6
351.23373	5.3
355.17178	2.3
361.21552	6.4
362.22495	3.1
367.13528	1.3
373.18088	2.0
379.22757	17.1
381.13419	5.7
399.16141	2.1
405.21115	2.6
415.15530	1.9
429.16235	1.5
433.16507	2.5
445.16534	20.7
499.21204	2.7
503.25806	2.3
521.27252	1.6
525.22839	1.9
531.25409	3.8
535.28516	1.9
549.26105	15.2
551.28479	2.7
553.29834	4.7
563.27905	12.3
581.29108	61.7
581.37946	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	581.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64764	1.6
53.03960	2.3
55.05513	2.6
55.66577	1.3
57.07058	1.5
67.05513	5.2
69.03409	2.9
69.07073	4.8
69.87586	7.5
75.42876	1.7
79.05502	7.6
81.07070	12.5
83.08607	2.4
83.74148	1.3
85.02922	2.5
91.05479	13.2
93.07057	15.7
95.01345	1.9
95.04968	3.5
95.08595	7.5
103.05483	2.2
104.74265	1.3
105.07043	15.8
107.04968	1.5
107.08585	11.6
109.02867	2.6
109.06527	3.4
109.10172	6.0
117.07041	3.7
119.04944	1.7
119.08582	15.6
121.06530	5.5
121.10158	10.7
123.11752	2.5
128.06253	1.8
129.07021	6.0
131.04999	1.3
131.08615	4.9
133.06483	1.5
133.10153	6.4
135.04457	1.9
135.08104	1.9
135.11714	4.9
141.06973	2.1
142.07837	4.0
143.08612	6.0
145.06506	1.3
145.10139	9.0
147.04457	3.9
147.08061	3.0
147.11708	5.0
148.05183	1.7
149.05975	4.8
149.09587	1.6
151.03922	1.8
151.07607	1.7
155.08577	4.3
157.06522	1.6
157.10175	5.5
159.08142	3.0
159.11717	4.0
161.02380	5.6
161.05968	6.9
161.13310	2.3
163.03958	1.6
165.06947	1.5
167.08591	3.9
169.10141	3.5
171.08119	2.7
171.11714	3.3
173.05991	2.1
173.09691	2.0
173.13283	2.3
175.03955	2.3
175.07602	6.0
177.05502	20.3
177.09120	2.1
179.08571	2.6
181.06491	2.0
181.10127	2.9
183.08183	2.8
185.06015	3.8
185.09621	3.4
185.13332	2.5
187.03955	3.0
187.07547	3.4
187.14798	1.6
189.05589	1.5
189.09171	4.5
191.07039	2.6
193.10141	1.7
195.08107	3.3
195.11725	3.3
197.09709	4.4
197.13341	2.2
198.06764	3.3
199.07620	4.6
199.14847	3.9
201.05554	2.3
201.09135	6.2
203.03589	8.1
203.07048	100.0
203.17868	1.7
207.11722	3.0
209.09633	3.8
210.06671	1.6
211.07619	4.6
212.08311	2.0
213.09143	12.1
215.07040	2.0
215.10739	4.3
215.14302	1.7
217.08569	1.7
221.15277	1.7
223.07620	2.5
225.09108	10.1
226.09953	3.2
227.07094	3.4
227.10754	5.2
229.08647	3.4
235.07466	1.7
236.08167	1.6
237.09212	3.4
239.10704	5.9
241.08681	6.3
241.12273	2.0
243.10190	14.9
249.09161	2.5
249.12598	1.8
251.07237	1.8
251.10742	4.1
253.08551	2.0
253.12373	3.0
255.10237	3.0
257.08270	1.8
257.11734	2.5
259.09628	2.5
263.10739	2.6
265.08716	1.7
265.12311	5.2
269.08215	4.5
271.09894	2.4
293.15253	1.5
293.18857	2.1
295.17206	1.4
297.14828	1.6
303.13394	1.5
306.16223	3.2
307.16974	2.5
321.18466	10.1
322.19223	2.1
339.19769	4.0
347.20071	1.7
353.26660	7.3
355.27609	3.6
361.21671	3.5
379.11816	25.3
379.22678	25.7
387.19644	2.1
405.20581	10.1
427.15350	1.6
445.16614	13.6
493.27353	2.2
521.26917	2.4
531.24451	1.8
549.26416	5.7
551.28302	1.9
563.28302	11.9
564.89349	1.7
581.29132	76.4
581.39612	6.1
582.29187	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
64.76923	0.7
69.03429	1.2
69.78915	3.9
81.03397	0.9
81.07072	0.9
85.02913	1.3
91.05508	0.9
97.02914	0.9
105.07021	1.1
113.05802	1.4
124.93739	0.8
127.60777	0.8
137.05954	1.6
147.04425	0.9
149.02312	3.4
167.07069	1.1
171.00452	1.1
175.07518	0.9
203.05225	0.6
219.46759	0.7
229.47563	0.7
236.10204	0.7
245.06369	1.0
255.06660	0.9
261.07382	7.5
275.10999	2.0
314.96652	0.7
315.12061	9.2
317.12109	2.2
333.09460	1.8
333.13098	16.3
361.12625	1.3
423.12579	1.0
465.13831	0.8
477.17538	1.7
495.18408	12.2
537.19495	42.8
538.19666	1.2
545.23279	0.8
581.18372	100.0
582.18805	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	581.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
55.05513	6.8
63.34236	1.8
67.05525	10.2
69.03419	2.3
69.07071	12.4
71.58857	2.6
71.71200	1.8
73.39241	1.8
79.05492	9.1
81.07069	26.6
91.05479	16.7
93.07060	22.8
95.04977	4.6
95.08617	14.2
103.05424	2.6
105.07030	19.7
107.04964	2.5
107.08604	20.5
109.06539	5.9
109.10151	12.5
115.05489	2.7
116.87153	2.2
117.07043	6.7
119.04939	4.1
119.08588	19.7
121.06517	6.9
121.10176	8.3
123.08070	3.0
123.11712	3.3
128.06277	2.4
129.07036	5.8
131.04919	2.1
131.08575	8.9
133.06480	2.4
133.10139	8.0
135.04436	2.5
135.11668	13.8
141.06999	3.6
142.07793	3.8
143.08559	5.4
145.06528	4.4
145.10136	10.4
147.04416	4.3
147.08006	5.7
147.11749	4.2
149.06024	4.4
149.13254	2.9
155.08580	8.7
157.06535	3.6
157.10168	7.0
159.08061	4.8
159.11700	7.7
161.02400	6.9
161.06018	10.4
163.07700	2.4
165.06966	2.4
167.03477	3.0
167.08633	3.4
169.10172	5.2
173.06001	4.5
173.09697	3.4
173.13271	2.4
175.07516	5.1
175.14845	2.7
177.05484	22.0
177.09064	2.3
179.08594	4.1
183.08089	3.6
183.11729	2.8
185.06026	5.2
185.09642	7.0
187.03940	3.5
187.07622	6.5
189.09186	5.6
191.07024	11.2
195.08156	6.7
195.11829	2.9
197.09695	4.4
197.13153	2.2
198.06847	5.7
199.07579	8.9
201.09131	8.4
201.16437	6.2
203.03481	5.3
203.07054	100.0
205.05080	6.6
207.08073	2.6
207.11687	3.9
209.09735	3.2
210.06786	4.5
211.07529	8.0
213.09126	24.4
213.16367	2.2
215.10764	5.0
217.08562	3.2
223.07643	2.8
225.09091	19.2
226.09976	5.7
227.07135	4.6
227.10738	5.0
229.08618	5.4
233.09618	2.8
237.12825	2.4
239.07193	2.3
239.10750	6.1
241.08653	8.7
243.10164	32.4
249.12810	2.6
251.10684	4.5
257.08231	3.0
263.10812	2.2
265.12363	4.6
267.10269	3.2
267.13849	2.2
269.08160	14.0
269.11554	2.1
275.14273	2.7
277.09015	2.1
321.18631	3.9
323.16556	3.6
339.19519	10.8
349.21875	3.6
351.12152	2.5
353.26630	18.1
354.27011	6.4
355.27426	8.1
361.21884	5.3
362.22437	2.5
379.11844	19.3
379.22690	25.7
393.13760	4.4
405.20694	3.0
427.15903	2.4
433.16705	3.3
445.16824	5.7
447.18253	4.2
459.18033	2.3
493.27563	4.0
499.20590	3.3
521.26355	3.5
525.22577	2.4
537.30243	3.6
549.26483	5.5
563.28070	12.3
581.28906	74.4
581.38507	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	581.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00499	0.6
53.03955	0.6
69.03432	0.9
69.14643	0.7
69.21735	3.2
69.22159	2.7
81.07058	0.6
85.02899	1.2
97.02914	0.7
98.20650	0.9
99.76067	0.5
113.05798	1.2
121.10165	0.7
137.06006	0.7
149.02341	3.8
167.07057	0.9
243.06290	1.1
245.06352	1.5
261.07388	10.3
275.11111	1.5
289.05408	0.9
299.11111	1.2
315.12109	10.4
317.12033	1.8
333.09427	1.0
333.13098	19.2
361.12720	1.2
423.12259	1.0
465.14255	0.8
477.17484	0.9
495.18423	14.3
537.19495	44.6
538.20148	1.6
547.98914	0.7
581.18408	100.0
582.18677	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1504
Annotation	Lucenin 3
Peak:m/z	Relative Intensity
51.14982	2.3
55.01857	4.8
60.21882	2.1
62.59237	3.3
66.79748	2.7
68.69837	2.5
70.30215	2.3
70.85640	2.8
70.85974	5.5
78.03910	2.2
81.03410	3.6
84.14692	2.2
85.02914	5.7
106.57260	2.5
107.04926	3.5
109.02850	4.2
135.04402	16.4
137.02344	44.5
137.03380	4.3
159.04445	2.6
161.02359	8.3
173.02390	4.5
176.01015	2.6
177.01811	9.8
179.03452	3.9
187.03860	3.6
189.01830	17.9
191.03383	10.2
195.02876	10.9
199.03845	5.9
201.01833	3.6
201.05350	3.4
203.03374	16.1
205.05046	3.1
207.02856	11.4
213.05562	3.3
215.03433	10.2
217.04973	6.9
219.02892	8.8
221.04449	3.1
229.04996	5.6
239.03503	4.0
239.48146	2.6
243.02873	4.7
245.04555	3.1
257.04434	2.8
283.05969	5.8
284.06778	7.2
295.05884	6.5
297.07547	10.0
299.05566	14.5
300.06299	4.5
303.05194	4.8
309.07620	6.0
310.04694	31.8
311.05521	100.0
311.08914	4.0
312.06235	10.0
313.07123	12.6
315.91211	2.4
321.07605	3.6
323.05499	80.3
323.08643	3.2
324.06265	25.2
325.06995	24.6
329.06494	9.0
333.07434	7.5
335.05530	9.4
335.09351	3.0
336.06323	5.6
337.07086	47.3
338.07767	15.3
339.04938	4.3
339.08633	10.2
341.06583	95.4
349.07138	22.5
351.08713	18.0
352.05740	4.0
353.06573	73.3
361.07050	4.8
363.08777	16.8
365.06503	52.4
365.10608	5.5
367.08160	29.3
371.07480	16.5
373.07028	5.3
375.08698	4.2
377.06555	28.6
379.07950	14.1
381.09772	12.8
383.07651	13.4
389.06525	7.1
391.08316	15.1
393.09763	4.7
395.07620	99.2
401.06705	4.4
403.07935	8.0
405.09869	3.6
407.07510	30.8
408.07465	3.0
409.09378	3.4
410.97781	3.0
413.08676	69.3
417.09888	4.6
419.07675	31.4
421.08997	9.6
425.08710	43.6
431.09708	18.5
435.10617	6.4
437.08603	29.2
443.09851	36.6
449.08765	18.3
455.09781	27.4
461.10629	34.7
467.09842	42.2
473.10815	46.9
479.09933	4.9
485.10834	42.9
491.09848	12.6
497.10745	41.8
509.10809	43.1
515.11572	21.8
527.11853	40.0
545.13007	41.7
563.14258	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	581.144
Annotation	Abiesin
Peak:m/z	Relative Intensity
56.96564	0.6
57.40566	0.4
67.05508	0.8
69.03481	0.4
71.09322	0.7
79.05527	0.9
81.07062	1.4
85.02940	0.6
91.05502	1.5
93.07053	1.6
95.04984	0.8
95.08637	1.0
96.25220	0.4
97.02914	0.5
105.07038	1.4
107.08619	1.0
109.06504	0.7
109.10179	0.9
119.04948	1.1
119.08593	1.1
121.06515	1.8
127.03895	0.8
133.06522	0.8
133.10135	1.0
135.04422	3.1
135.11726	0.9
145.10204	0.6
147.04427	0.9
147.08109	0.6
151.03903	0.6
151.07570	0.6
161.06038	1.4
161.13261	0.4
203.07083	1.1
229.19371	0.6
264.07837	0.5
283.06439	0.5
285.07614	1.4
285.97583	0.4
294.98380	0.5
297.04037	1.9
297.07449	0.5
303.06744	0.6
305.08035	0.5
319.06064	0.8
320.06894	0.4
333.07663	1.4
335.09415	0.7
345.07925	0.6
347.05557	3.5
348.06149	0.6
361.07156	3.3
362.07950	3.1
363.08746	0.5
371.12625	0.6
375.05042	3.4
375.08902	0.6
388.05542	0.5
389.06607	0.9
390.07376	27.1
391.08176	1.1
403.08139	2.5
404.10059	0.5
405.09695	9.0
406.06842	0.9
411.14145	0.6
418.07254	0.5
419.07596	1.2
435.08209	0.7
449.10342	0.9
465.13550	1.2
477.09814	1.1
478.10156	1.0
491.07251	0.7
493.12848	2.0
505.09290	0.7
506.10117	2.4
521.12305	7.4
523.10205	0.8
525.15839	0.9
534.09979	0.6
537.11591	0.6
549.11798	3.1
553.15088	1.2
563.10175	1.8
579.12531	0.6
581.14453	100.0
582.14594	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96885	1.1
55.01872	4.5
57.03419	1.4
61.02923	2.1
62.13585	1.2
69.03430	1.6
69.25560	11.7
79.05530	1.4
85.02905	4.1
90.70618	1.0
93.03432	1.5
97.02914	1.6
103.03877	1.3
105.41859	1.1
106.99631	1.0
107.04922	2.3
109.02873	2.1
121.02862	3.2
129.06979	1.3
135.04451	7.9
137.01334	2.2
137.02354	32.6
137.03404	2.5
147.04448	2.1
159.04402	1.6
161.02359	5.7
163.03906	2.2
165.01984	1.4
173.02362	2.5
175.03889	1.6
177.01793	5.7
177.05423	1.7
179.03424	3.3
187.03885	2.1
189.01814	7.5
189.05444	1.6
191.03387	4.7
195.02806	3.6
199.03842	2.8
201.01826	1.7
201.05510	1.4
203.03430	15.3
205.04982	1.6
207.02956	6.5
209.19113	1.1
215.03378	5.3
216.62794	1.1
217.05008	6.3
219.02899	4.2
221.04420	2.5
227.03413	2.2
229.04948	2.3
231.02979	1.5
233.04478	1.4
243.02855	3.7
245.04449	4.2
255.02841	2.3
263.37216	1.2
265.04672	1.2
269.04364	1.1
273.04056	3.3
279.06754	1.3
283.06000	2.6
284.06735	4.0
287.05573	1.3
295.05994	4.0
296.06702	1.6
297.07596	4.2
299.05450	3.9
300.06235	2.4
307.06000	2.8
308.06653	2.2
309.04074	1.3
309.07559	4.9
310.04739	17.1
311.05508	59.1
312.06155	5.4
313.06927	5.9
318.08597	1.5
321.07681	3.2
322.08224	2.4
323.01596	2.3
323.05490	41.7
324.06363	13.9
325.03342	2.0
325.07001	17.6
329.06659	3.3
333.07626	3.6
335.05563	6.1
335.08969	1.3
336.06180	6.7
337.07071	36.3
338.07877	4.5
339.05054	2.2
339.08609	5.2
339.12698	1.3
341.06586	49.4
345.07642	2.4
347.05597	1.6
349.06973	18.1
350.07791	4.1
351.04932	2.1
351.08713	22.0
352.05850	3.5
353.06595	49.4
355.08136	4.3
361.07019	14.4
363.08633	3.8
364.05859	1.6
365.06567	37.4
366.07269	1.7
367.08093	20.0
371.07632	9.8
375.08701	1.6
377.06546	23.0
378.07504	1.5
379.08109	21.9
383.07361	5.5
389.06372	11.0
391.08340	6.3
395.07639	53.1
403.08163	6.1
405.09689	1.6
407.07651	54.6
409.09247	1.7
415.08310	2.4
417.09610	3.7
417.90125	1.3
419.07550	7.6
421.09140	2.7
425.08685	82.2
431.07397	7.5
433.09079	2.3
437.08585	6.4
443.09790	100.0
444.10190	1.5
445.08682	1.7
449.08801	9.2
455.09418	4.6
461.08994	6.3
473.10696	11.4
479.09601	6.9
491.10721	10.8
497.10800	25.4
509.10782	14.5
515.11853	18.3
527.11865	72.5
545.05054	2.3
545.12909	31.2
563.14014	9.4
581.15320	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	580.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.9
55.05517	22.6
57.03439	19.1
58.59768	3.5
65.84619	3.0
67.05507	52.6
69.07079	16.4
70.00558	11.5
71.05005	3.9
79.05511	41.4
81.03415	51.3
81.07061	57.8
81.18211	3.3
83.04976	12.6
83.08614	21.1
85.02916	18.8
85.06548	4.0
91.05473	30.8
93.07050	44.9
95.04962	19.6
95.08616	33.6
97.10192	5.9
98.21530	3.2
105.07026	23.9
105.81610	2.9
107.08599	21.3
109.06519	4.4
109.10164	14.1
109.87757	3.1
111.08083	5.1
117.07061	5.0
117.36377	3.4
119.08570	16.9
121.10126	20.0
123.08071	5.8
123.11779	5.0
125.09633	3.9
129.07018	12.3
131.07425	2.6
131.08591	15.7
133.10144	13.6
135.11690	8.4
145.10121	8.2
147.11668	10.8
149.09648	5.2
157.10152	10.6
159.11745	4.2
173.44272	3.7
175.11156	7.6
193.12268	39.4
203.06996	7.2
211.13292	59.5
227.12741	4.3
261.22217	9.1
267.15952	10.1
277.53741	3.2
285.16940	44.9
319.53183	3.4
326.25531	3.5
335.25818	92.6
336.26187	4.5
527.37433	7.2
545.38428	100.0
580.38934	3.7
581.28729	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	580.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.0
55.01877	2.1
55.05512	24.1
57.03432	12.4
57.07058	2.8
62.48109	1.9
65.03935	2.6
67.05166	3.2
67.05504	45.3
69.03416	2.9
69.07073	29.2
70.36082	1.7
71.04978	4.6
71.58548	3.0
71.58913	2.5
71.61540	1.9
79.05493	28.5
81.03403	5.6
81.07057	50.4
82.07418	2.1
83.04980	3.5
83.08614	14.1
85.10184	1.9
91.05481	19.3
92.05797	2.3
93.07053	35.3
95.04967	7.3
95.08601	44.3
97.06530	5.3
97.10164	6.9
99.08080	2.3
105.07026	14.8
106.07366	1.9
107.04967	5.9
107.08591	25.7
108.08887	3.3
109.06483	4.1
109.10172	15.5
111.08080	2.5
117.07009	3.8
119.08578	20.4
121.06483	4.0
121.10137	15.9
123.11714	6.4
126.09898	2.3
129.07085	2.9
131.08582	5.2
133.10126	9.4
135.11679	29.4
137.09584	2.1
137.13268	2.5
142.07806	3.8
145.10112	19.9
147.11693	4.0
149.09615	2.5
155.08525	3.1
157.10135	3.1
158.10379	2.4
159.11652	3.3
161.13255	2.2
163.11171	28.9
173.13142	2.0
175.14821	4.1
177.05479	8.0
181.12302	4.6
203.07042	14.1
227.12778	44.0
283.15390	32.4
319.09558	2.4
335.25833	3.1
337.27371	100.0
359.12427	3.4
370.11438	2.4
376.07245	2.5
379.11768	17.9
516.13440	2.0
530.39105	11.6
545.30402	3.8
545.38324	46.3
548.40045	7.4
580.39142	7.1
581.29230	8.9
581.40063	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	580.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41333	2.7
53.03940	5.3
55.01874	3.0
55.05518	28.0
56.15010	3.5
57.03431	18.3
66.30936	3.5
67.04424	2.9
67.05506	66.0
69.07068	21.2
69.21986	2.8
71.05000	6.5
71.33535	6.1
73.08057	2.9
79.05049	4.7
79.05498	57.6
81.03419	49.2
81.07057	71.5
83.04987	19.8
83.08599	22.0
85.02906	15.7
91.05484	54.4
91.96439	3.0
93.07050	60.2
95.04975	26.5
95.08610	42.1
97.06578	3.7
97.10183	5.6
101.66328	3.1
105.07051	32.5
107.04935	8.0
107.08592	27.8
109.06535	6.6
109.10166	20.3
111.08089	8.2
113.05994	2.9
117.07014	8.8
119.08575	30.6
121.06491	3.5
121.10146	22.0
123.08073	4.4
123.11743	6.5
129.07050	10.9
131.08575	14.1
133.10115	16.5
135.08018	3.3
135.11708	6.7
142.07782	4.1
145.10117	10.1
146.27727	4.7
147.08095	6.4
147.11694	18.3
149.09648	3.9
149.13255	7.1
157.10155	14.4
161.02341	5.5
161.13219	4.4
173.13284	4.1
175.11201	11.3
177.05461	23.2
178.05829	9.2
193.12245	41.7
203.03377	5.2
203.07042	54.2
204.04031	3.4
204.07382	35.5
211.13300	51.9
243.10205	10.3
244.10461	5.2
261.22131	9.2
267.15945	14.0
285.16977	54.1
335.25793	100.0
379.11697	11.7
380.11963	24.1
450.07480	3.0
470.20355	5.4
480.17511	6.4
502.23108	4.0
516.20850	5.8
527.37341	10.9
530.22711	6.0
545.38434	66.7
548.23669	19.6
580.27631	16.4
581.28650	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	580.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.6
55.05516	15.3
57.03432	8.8
59.07778	2.4
67.05511	20.9
67.05805	3.6
69.03431	4.7
69.07078	12.0
69.22657	10.0
69.23080	14.0
71.04990	7.0
74.83266	2.6
75.75050	2.7
79.05499	28.0
81.03427	47.9
81.07061	26.9
83.04980	6.1
83.08624	16.1
85.02895	5.5
85.06553	2.8
91.05495	22.5
93.07049	24.9
95.04965	25.0
95.08621	12.5
97.02841	3.6
97.06527	6.3
97.10139	18.1
105.07036	14.7
107.04971	19.7
107.08578	14.7
109.06500	17.2
109.10151	7.8
111.08070	5.9
117.07041	3.9
119.08593	13.2
120.74390	2.6
121.06519	13.8
121.10171	12.5
123.08079	3.2
123.11716	3.2
125.09655	11.1
129.07004	6.9
131.08585	11.0
133.06526	5.6
133.10149	4.1
135.08067	9.9
145.06512	5.8
145.10083	5.1
147.08080	4.2
147.11681	9.7
149.09653	7.0
153.09149	4.0
157.10136	7.0
163.11194	2.8
165.12703	3.4
173.13307	4.9
175.11214	5.3
189.11314	6.3
191.14302	6.0
193.12268	15.4
201.12802	2.9
219.13840	17.0
233.15408	4.7
259.15439	8.3
267.15930	40.1
270.37082	2.5
293.17548	7.3
339.23135	4.8
349.21512	6.5
367.22726	21.2
385.23776	31.0
403.25052	12.0
441.26453	7.0
459.27429	100.0
459.33887	5.5
477.28519	79.6
491.30106	9.6
495.29602	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	579.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
53.73338	1.4
55.01867	3.3
55.05507	4.2
57.03440	3.4
57.07083	1.8
61.02935	1.6
65.03961	2.1
67.05511	8.5
69.03432	26.1
69.07080	8.2
71.05002	8.5
71.46244	1.7
71.46575	2.3
73.02917	1.7
79.05488	19.3
81.03431	10.6
81.07067	9.2
83.04997	15.3
84.08147	4.3
85.02912	38.5
85.06551	21.0
91.05488	20.3
93.07049	19.7
95.04975	6.3
95.08615	9.4
97.02930	8.3
97.06544	4.8
99.04489	9.5
105.07034	22.1
107.04976	5.3
107.08611	33.3
109.02885	4.4
109.06523	10.9
109.10180	2.8
111.04418	3.2
111.08099	4.6
115.05453	3.1
117.07030	8.1
119.08595	19.4
121.02876	2.7
121.06506	11.3
121.10151	24.1
123.04409	1.6
123.08063	4.6
123.11746	1.9
125.05993	2.5
125.09637	5.9
127.03954	7.9
129.07019	8.8
131.05020	1.5
131.08580	70.6
132.04456	2.4
133.06514	3.3
133.10153	14.9
135.08049	18.5
135.11717	8.0
137.05968	3.1
137.09641	4.1
139.07556	2.2
141.07013	1.7
143.08562	6.5
145.02914	2.0
145.04985	4.2
145.06500	2.9
145.10127	27.3
147.08046	5.6
147.11703	4.9
149.09633	43.5
149.13295	6.0
150.10291	1.9
151.07550	2.1
152.07042	1.7
153.05466	1.9
153.09093	2.9
155.07086	2.8
155.08533	2.2
157.10149	2.0
158.10956	3.0
159.07990	2.1
159.11761	3.0
161.09590	4.7
163.07446	1.7
163.11154	13.2
163.14822	4.3
165.09090	4.5
167.07059	7.4
167.10695	4.7
169.08702	2.7
171.08096	1.7
173.09596	4.6
173.13283	23.9
175.11205	2.3
175.14821	6.8
177.84416	1.6
181.05022	3.4
191.10693	34.2
191.14316	100.0
192.14713	5.3
193.08606	2.2
193.15784	1.7
203.03323	2.3
203.10635	2.7
203.14264	1.6
209.09769	3.0
209.11775	40.2
209.15372	75.0
210.15707	7.0
219.10194	1.6
221.11775	2.0
221.15286	1.7
223.07281	2.2
227.12779	19.9
233.11755	1.4
241.08170	4.7
241.12042	3.7
259.11938	2.3
271.06107	9.4
285.31134	1.7
295.06012	3.6
296.06436	4.3
297.06668	5.5
302.12445	2.1
307.06158	2.1
308.06610	3.3
309.07416	3.1
310.07700	1.7
317.13904	3.7
321.07501	2.0
322.07919	2.7
323.08344	3.0
325.07101	3.2
326.07471	2.9
327.07611	4.2
335.14951	2.3
335.18555	3.2
338.07474	2.5
345.13046	13.5
351.08292	2.1
353.19632	30.5
360.92386	1.6
379.08170	3.3
380.08286	3.4
381.08701	5.6
393.08578	2.1
399.25360	4.1
405.08685	3.6
410.09561	2.6
411.09729	3.5
417.26276	6.0
423.09473	2.4
429.10776	5.7
441.10840	2.4
459.12125	7.2
483.11697	5.4
501.12631	2.5
525.12549	2.5
543.14099	4.5
561.15149	5.9
561.30505	5.9
579.23853	2.6
579.32831	19.1
582.10315	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01874	4.1
55.05509	11.1
57.03437	3.9
57.07079	4.4
58.76189	1.2
65.03951	2.6
67.05509	59.6
69.03429	3.5
69.07069	9.9
71.08598	1.5
71.58147	1.5
73.02914	3.2
79.05498	34.1
81.03419	6.5
81.07064	72.5
83.04998	1.9
83.08617	6.0
85.02914	5.9
85.06528	3.4
91.05493	22.7
93.07054	51.6
95.04987	5.1
95.08614	55.2
97.02924	2.4
97.06532	2.6
97.10188	3.2
99.04462	3.3
99.08108	3.2
105.07034	18.6
107.04964	2.3
107.08607	37.9
109.02881	8.1
109.06538	2.0
109.10162	27.9
110.03657	3.9
111.04451	3.8
115.05464	1.3
117.07049	9.3
119.08592	18.1
121.10156	27.8
121.75644	1.3
123.08111	1.7
123.11719	17.6
127.03925	4.2
129.07040	2.0
131.08577	19.7
132.99547	1.5
133.10153	16.0
135.08096	1.7
135.11700	22.4
137.09769	1.6
137.13274	5.2
139.11215	2.6
143.08577	1.7
145.06454	2.0
145.10132	17.4
147.08069	1.8
147.11713	10.9
149.02397	2.8
149.09586	1.4
149.13274	18.2
151.03902	3.8
151.07613	5.2
151.11234	2.3
151.14832	1.8
155.10629	1.3
157.06505	1.2
157.10245	1.8
159.11702	14.8
161.02396	1.7
161.13237	8.3
163.14830	13.2
165.12817	3.2
165.16550	1.2
169.10249	2.3
171.11661	1.4
173.13292	15.1
175.14903	3.8
177.12759	1.9
177.16443	4.9
179.07047	4.8
179.14288	2.5
185.13271	2.7
187.14815	8.3
191.00151	4.3
193.10141	1.5
194.05266	1.6
201.09100	1.4
201.16403	3.4
203.07008	7.9
207.06557	9.0
208.07329	3.2
229.08601	2.6
233.22746	3.1
243.10219	4.3
243.21097	27.6
257.08142	1.8
261.22159	100.0
263.23669	2.1
271.02145	1.3
271.06030	2.9
279.23212	3.1
285.22037	1.6
297.07401	1.5
303.23215	1.6
313.10645	15.6
331.11844	1.9
335.25793	14.1
345.29163	1.6
353.26910	73.6
356.95383	1.4
357.09686	2.2
363.23120	2.0
365.13907	3.8
367.09393	1.8
369.24701	3.0
377.26852	1.6
379.11188	1.7
443.27942	1.9
451.21451	2.4
469.22894	1.8
487.23611	2.1
513.22552	3.1
561.27496	5.0
561.37109	1.6
579.27301	3.0
579.38446	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.2
53.03941	6.6
55.01878	4.9
55.05515	13.1
57.03445	4.0
57.07071	5.4
61.49826	1.8
65.03941	3.5
66.06758	1.9
67.05506	75.8
69.03423	8.4
69.07074	18.7
69.21309	21.8
71.04969	3.4
73.02921	4.3
79.05059	3.0
79.05500	46.7
81.03415	5.7
81.07064	86.7
83.04985	4.3
83.08616	7.7
85.02911	6.6
85.06548	2.4
91.05487	31.9
93.07050	64.7
93.69839	2.4
95.04952	5.5
95.08614	65.0
97.06520	5.7
97.10154	5.3
99.04472	2.8
99.08102	2.1
103.27894	2.2
105.07040	29.8
107.08600	48.8
109.02882	12.3
109.06555	4.7
109.10155	33.1
110.03664	4.9
111.04445	4.8
111.08110	3.7
117.07008	13.5
119.08602	25.2
121.10152	33.0
123.11736	19.3
127.03934	5.9
131.08569	23.6
133.10143	20.6
135.08113	2.9
135.11714	34.5
137.09676	2.5
137.13263	8.4
139.11200	3.4
143.03391	2.9
143.08586	2.3
145.06548	4.8
145.10141	17.1
147.08052	3.2
147.11717	12.9
149.09627	2.8
149.13266	21.5
151.03918	2.0
151.14807	2.6
153.01865	17.3
159.11688	15.9
159.75859	2.0
161.06058	2.4
161.13278	10.8
163.11198	3.7
163.14827	17.0
165.12784	2.8
169.10159	3.6
173.05933	2.9
173.09589	2.4
173.13278	18.9
175.14810	7.5
177.16443	4.1
187.14848	10.0
191.00069	2.3
201.16444	3.5
203.07077	23.1
207.06680	4.7
210.61798	2.2
211.07443	2.3
215.10573	3.0
219.88445	2.2
230.19632	1.9
233.22621	5.3
243.10207	21.1
243.21126	33.6
257.07980	3.8
261.11319	6.3
261.22159	100.0
271.06027	4.6
279.23227	5.3
309.14819	2.9
335.25888	18.1
353.26907	80.1
413.12442	7.7
511.19620	4.2
561.27075	7.4
579.26013	8.0
579.38147	3.3
580.60358	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01846	0.6
55.05486	0.9
55.23658	0.5
58.63087	0.5
65.03946	0.6
66.65805	0.5
67.05474	1.8
69.03411	0.7
69.07069	4.6
71.04969	0.5
72.98293	0.5
74.09693	1.5
79.05478	1.7
81.03404	1.4
81.07034	2.4
83.01370	0.5
83.04942	0.6
83.47949	0.6
85.02888	2.0
89.03922	0.9
91.05479	7.7
93.03407	0.6
93.07021	3.5
95.01308	0.8
95.04945	1.8
95.08590	1.5
98.20828	0.5
103.05476	1.1
105.03397	0.8
105.06511	0.5
105.07039	5.5
105.25566	0.5
106.04152	1.5
107.04932	1.3
107.08563	1.4
109.06479	1.9
109.10150	2.2
110.52592	0.5
115.05398	0.6
117.07028	3.0
119.04893	1.7
119.07803	1.0
119.08588	16.2
121.02884	4.0
121.06503	10.7
121.10126	1.1
123.11739	0.6
124.05193	0.6
128.06227	1.1
129.04425	0.5
129.06995	2.0
131.04916	0.9
131.08536	1.4
133.06499	1.1
133.10103	1.6
134.03603	1.7
135.04388	0.7
135.08026	0.7
135.11624	0.8
141.07028	1.0
142.07748	0.8
143.08557	2.5
145.02815	1.1
145.06493	1.1
145.10118	1.8
147.04379	4.1
147.08012	2.3
147.11636	0.6
148.05199	3.6
149.02348	1.6
149.05986	9.4
151.03909	1.0
151.07469	0.5
153.06911	0.9
154.07709	0.6
155.08559	1.4
157.06516	0.9
157.10158	1.5
157.16515	0.5
159.08066	1.0
159.11700	1.5
160.01576	1.5
161.02344	5.0
161.05945	2.8
161.09642	0.6
161.13306	0.5
162.03108	0.7
163.03920	1.5
165.06956	0.5
167.03391	1.5
167.08505	0.8
169.10065	0.6
171.08032	1.4
171.11563	0.9
173.06050	0.7
175.03871	2.5
175.07526	2.2
177.05475	67.2
177.09001	1.9
179.08601	0.7
181.06543	0.6
183.08002	1.6
185.05997	4.3
185.09560	0.7
187.03973	1.4
188.01047	0.6
189.05470	1.0
189.09113	0.7
191.10641	0.6
195.08005	1.2
197.09618	0.6
199.07523	2.1
199.14775	0.6
201.09186	0.9
203.03430	17.3
203.07030	100.0
204.04146	2.1
204.07433	0.6
205.04918	0.8
207.06380	0.6
213.09117	1.5
215.10703	0.6
217.08531	1.2
223.07494	0.9
225.09044	0.8
227.07033	0.8
227.10635	0.9
229.08676	0.9
241.08624	2.5
243.10190	6.0
251.10837	0.8
253.08595	1.2
257.08060	1.2
259.09717	1.0
265.08533	0.8
267.10147	0.7
267.13705	0.9
269.08078	6.8
271.06296	0.5
271.09641	1.4
273.09155	0.6
279.10275	1.0
285.11346	0.6
285.14828	1.1
291.10114	1.0
293.08081	1.1
293.11401	0.7
301.08673	0.7
304.07336	0.7
309.18533	1.5
310.98541	0.5
318.09039	0.6
319.09598	1.3
321.07437	0.9
323.09140	1.2
323.12720	0.8
333.11230	1.9
347.09335	1.2
349.10712	1.1
351.12320	4.6
353.26636	0.5
377.21188	3.4
379.11761	86.5
380.12207	1.3
391.10941	0.5
401.13895	1.2
403.19028	1.5
419.10919	0.7
441.20560	1.0
447.13950	1.0
469.20209	2.3
479.16965	3.3
487.21066	2.4
497.19910	1.4
501.22742	2.1
515.20837	2.3
519.24072	1.6
529.22150	1.6
547.23291	14.5
579.27374	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	579.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
65.03908	1.4
67.05505	1.6
69.07050	2.4
71.31023	1.7
79.05470	2.2
81.07047	3.3
85.02890	3.0
91.05484	9.5
93.07059	4.5
95.04980	1.7
95.08588	2.8
103.05479	1.6
105.07058	6.3
105.67984	1.1
106.04173	1.5
106.41441	1.0
107.08585	3.9
109.06490	1.9
109.10155	1.7
117.07059	1.3
119.04946	2.9
119.08584	13.7
121.02850	3.5
121.06512	8.9
121.10130	1.3
129.06985	1.7
131.08580	1.6
133.10098	1.4
135.04449	1.3
135.11760	1.1
143.08562	1.1
145.02893	0.9
145.10115	2.4
147.04465	5.0
147.08080	2.1
148.05174	2.9
149.02356	1.4
149.05986	11.5
149.09622	1.2
151.03883	2.1
155.08421	0.8
157.10112	1.2
160.01555	2.1
161.02344	4.7
161.05954	2.0
167.03284	1.1
175.03883	1.4
175.07549	2.5
177.05479	73.0
178.07637	0.8
183.07945	1.1
185.05977	2.6
188.01064	1.0
199.07475	1.2
203.03444	15.3
203.07037	87.0
205.04906	1.8
241.08449	1.7
243.10040	1.0
257.08032	1.0
258.56967	0.9
264.61343	0.9
267.10068	1.0
269.08145	7.3
271.09525	2.4
281.07861	0.8
285.10995	1.1
291.10211	1.2
309.18579	1.2
311.19919	1.1
319.09616	2.3
323.08899	1.6
333.11026	1.5
349.10739	1.1
351.12329	6.3
372.32733	1.0
377.21002	5.4
379.11786	100.0
380.12030	1.4
403.19174	2.0
499.73532	0.9
532.24884	1.0
561.26178	1.1
575.12262	0.9
577.88544	1.0
579.27502	20.1
579.37048	2.9
579.40424	2.7
606.52478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.8
51.02396	0.6
53.03941	3.4
55.01870	0.7
55.05513	4.3
55.65648	0.6
57.07078	1.7
59.12062	0.5
59.77895	0.6
60.58164	0.5
65.03943	1.9
67.05511	8.0
68.99805	0.8
69.03432	2.0
69.07080	4.1
69.87489	2.6
77.03922	1.1
78.04727	0.8
79.05495	12.2
81.03432	0.9
81.07059	8.5
83.08618	1.1
91.04894	1.1
91.05483	33.6
93.07047	100.0
93.99877	0.5
95.04968	4.6
95.08609	4.5
97.44702	0.5
103.05503	0.7
105.03421	0.6
105.04533	2.4
105.07035	16.0
105.07764	0.8
105.72748	0.5
107.04972	0.7
107.08598	58.5
108.08921	0.6
109.06489	3.3
109.10161	4.5
115.03935	1.8
117.07000	2.8
119.06060	1.5
119.08591	18.9
120.09431	1.2
121.06502	1.2
121.10114	2.7
123.08039	1.0
123.11710	1.3
125.02353	1.9
127.03939	1.2
128.61911	0.5
129.07014	1.4
131.08591	3.1
133.06548	1.0
133.10146	6.6
135.11699	96.7
136.11980	0.6
137.09607	0.6
141.05501	1.1
143.03418	2.9
143.08578	1.2
145.10114	1.9
147.04384	0.9
147.08061	1.1
147.11671	2.0
149.02333	0.6
149.09584	0.7
151.03928	2.2
151.07549	0.7
153.01831	11.5
155.08553	0.8
157.06529	0.6
157.10175	1.6
159.08028	0.8
159.11638	0.9
161.02315	1.4
161.06035	0.8
161.13263	0.7
167.03517	1.0
167.08519	0.7
171.02856	0.6
171.07979	0.7
171.11639	0.6
173.09673	0.7
173.13249	1.3
175.03923	0.6
175.07568	0.9
175.14813	5.9
177.05501	2.2
179.07063	1.0
181.10152	0.9
183.11685	0.8
185.04468	1.3
185.05981	0.7
187.03958	0.6
187.07571	1.1
189.09070	1.1
195.08154	0.8
197.05977	0.7
201.09164	0.6
201.12730	0.8
203.07031	16.0
203.17941	0.9
207.06519	2.1
211.07562	1.2
213.09128	1.6
215.10667	1.0
225.09044	1.3
227.07191	0.5
227.10619	1.2
229.08577	1.3
237.09171	0.7
241.08568	0.9
243.10147	5.2
253.12213	1.5
255.10188	1.6
261.11441	0.7
267.06625	0.5
267.10098	0.7
268.07092	0.5
269.08057	1.4
271.06036	1.7
271.09418	0.5
273.11169	1.0
297.07608	0.9
309.14847	0.7
313.10687	6.3
321.14822	1.6
357.09641	1.3
359.20090	4.1
363.23328	0.9
365.13647	1.1
377.21179	6.7
379.11765	2.7
388.72034	0.7
395.21832	0.6
411.10519	0.6
413.12317	2.6
423.14426	0.8
425.12076	2.2
443.13351	1.0
455.16989	2.8
457.14713	1.1
523.20203	0.7
529.22339	1.1
547.23248	3.2
551.26617	0.7
561.24561	2.7
561.37927	1.2
579.26080	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	579.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
54.43076	0.5
55.01865	0.6
57.03389	0.5
62.85093	0.4
65.03922	0.6
67.05478	0.5
69.03413	1.4
71.46677	0.6
76.05273	0.4
78.04706	2.3
78.63551	0.5
79.05492	0.6
81.03393	0.9
81.07059	0.6
85.02909	3.1
91.05476	1.4
93.03390	1.1
95.04954	0.7
97.02895	1.0
103.04025	0.5
103.05466	1.6
105.03382	0.6
105.07014	0.5
106.04169	1.5
107.04939	1.0
109.02921	1.1
115.05433	3.0
117.07008	5.8
120.08092	0.4
123.04426	7.7
124.05199	1.7
125.06000	0.5
127.03909	0.6
127.05430	0.7
131.04939	0.5
134.03607	0.4
135.04431	0.5
135.11856	0.4
137.02318	1.2
143.04852	0.6
145.06480	8.2
147.04529	0.4
151.03899	1.2
152.04674	1.5
155.06049	4.6
161.06038	0.6
167.07042	100.0
172.05023	0.5
173.05981	18.9
181.04962	22.6
182.02077	0.7
182.38959	0.5
205.08614	4.7
233.08096	5.8
235.09637	3.9
240.04221	0.4
265.93646	0.4
267.06564	1.9
268.07300	1.1
271.05948	0.7
279.06625	0.5
281.08334	0.6
283.06119	0.9
287.05481	7.8
288.05869	9.2
289.06036	8.2
297.07571	3.2
307.09637	0.5
313.07010	0.8
316.05646	0.9
321.07614	0.8
331.08145	7.4
351.08636	0.6
381.09781	0.7
387.14392	15.2
399.10568	0.6
417.15933	10.4
426.08853	0.7
427.09555	1.9
439.09244	0.8
472.40405	0.6
542.34534	0.5
579.20734	43.9
579.30304	1.5
580.21088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06152	0.3
53.03937	0.4
54.94238	0.3
55.01861	0.6
57.03407	0.5
60.73115	0.3
61.02884	0.4
65.03931	1.0
67.05474	0.3
69.03436	1.9
69.87913	0.3
70.07282	1.4
71.04988	0.9
78.04726	2.1
79.05477	1.0
81.03419	0.9
82.04198	0.5
85.02914	3.4
91.05470	1.4
93.03402	0.3
95.04972	0.7
97.02882	0.9
97.06516	0.6
99.04478	0.4
102.09173	0.3
103.05469	1.4
105.06949	0.4
106.04175	1.0
107.04947	1.1
109.02840	0.4
109.29475	0.4
115.05451	2.9
117.07038	5.9
121.02876	0.8
121.10152	0.4
122.03644	0.4
123.04443	5.9
124.05203	1.6
125.05984	0.8
127.05440	0.6
131.04858	0.3
134.03638	0.4
137.02342	0.6
142.02599	0.7
145.06497	8.1
147.04401	0.8
147.07973	0.5
151.03915	1.0
152.04710	2.0
153.05486	0.9
155.06059	4.0
167.07053	100.0
168.07378	0.7
171.06511	0.7
173.05997	20.5
175.07530	0.5
177.05435	0.4
181.04971	21.5
189.05646	0.4
191.14297	1.2
192.14687	0.4
201.05365	0.8
205.08638	4.4
207.10185	0.3
209.15503	0.4
210.15755	0.4
233.08124	5.8
235.09604	4.1
235.11368	0.3
271.06030	14.7
285.07584	1.5
317.06641	0.4
331.08005	0.6
387.14423	17.2
401.89584	0.4
417.15485	12.4
579.20795	44.9
580.21155	0.8
596.77991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1714
Annotation	Eriosemaside C
Peak:m/z	Relative Intensity
50.83044	0.2
51.21508	0.2
55.70037	0.2
57.03431	0.5
66.34869	0.2
67.05505	0.4
68.99806	0.2
69.03434	2.2
69.07061	0.2
69.22415	1.9
81.03416	0.4
81.07065	0.4
85.02908	1.3
87.04468	1.0
91.05453	0.5
93.07042	0.4
95.08620	0.3
97.02909	1.3
97.06512	0.3
97.10136	0.2
98.21503	0.4
100.12062	0.2
101.67477	0.2
105.07032	0.4
105.39127	0.2
107.04947	0.4
107.08614	0.2
109.10168	0.3
115.03941	1.1
118.04177	0.6
119.08584	0.2
121.02834	0.4
121.06483	0.2
123.04433	1.8
124.01546	0.3
127.03915	0.4
129.07013	0.2
133.04980	0.9
133.06503	0.3
133.10138	0.4
135.04433	0.2
137.05940	0.2
147.04370	0.4
147.11751	0.2
149.02328	1.6
152.01036	2.2
153.01816	0.9
167.06979	0.5
170.02141	1.4
177.05542	0.2
179.03404	0.4
185.28955	0.2
197.05936	0.4
201.05373	0.2
213.05522	0.8
214.06235	0.4
225.05539	0.2
229.08612	3.1
234.44612	0.2
241.05006	0.2
242.05740	2.2
252.04143	0.2
253.04982	2.2
255.06503	0.3
257.08237	0.2
269.04504	1.7
270.05264	4.7
271.06033	1.9
285.07584	100.0
286.07880	0.7
296.52811	0.2
297.07571	0.6
309.91125	0.2
313.17871	0.2
315.08292	0.2
316.08472	0.3
327.08621	0.5
329.10168	0.4
330.10559	0.3
331.10803	0.7
355.08102	0.3
387.10083	0.2
399.10995	0.4
417.11758	0.4
447.12885	4.6
535.24902	0.2
547.16962	0.3
579.07629	0.2
579.23706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1716
Annotation	Apigenin 7-rutinoside
Peak:m/z	Relative Intensity
50.50419	0.6
53.03941	1.5
53.72778	0.6
55.05504	1.0
56.96556	0.8
57.03447	0.9
60.32713	0.6
65.40089	0.8
67.05499	1.8
68.99756	0.7
69.03427	1.8
69.07065	1.3
69.32737	2.8
69.33156	3.3
79.05495	1.8
81.03425	2.0
81.07054	2.6
85.02913	3.4
85.06553	1.1
91.05465	3.8
93.07051	1.3
95.04960	1.8
95.08629	2.6
97.02882	1.6
97.06509	0.9
99.04469	1.0
99.08117	0.7
100.76325	0.7
103.05460	0.9
104.93998	0.8
105.03386	1.6
105.07036	4.1
106.23213	0.8
107.04959	2.3
107.08607	1.8
109.02878	1.0
109.06557	2.1
109.10172	2.2
111.04468	3.7
111.79630	0.7
119.04957	4.9
119.08575	1.2
121.06509	7.4
121.10143	1.1
123.04432	1.1
127.03920	1.9
129.19194	0.8
130.42024	0.8
131.08557	0.9
133.02861	30.8
135.04364	1.6
135.08061	4.5
135.11774	0.9
137.05992	14.5
139.03952	0.8
139.07594	3.5
141.54626	0.7
145.10126	1.3
147.04427	5.4
149.05998	6.9
150.03223	1.9
151.03941	0.9
151.07550	17.7
152.01114	3.6
153.05460	1.5
159.04355	0.8
161.06004	1.1
162.03137	2.1
163.07599	6.2
164.08345	3.3
165.05495	7.9
167.03423	14.5
167.07066	10.0
168.19173	0.7
170.02084	1.1
177.05447	6.3
179.07095	4.0
183.08012	1.1
189.09131	1.4
193.04977	28.5
203.07082	0.8
205.01978	0.7
211.07552	3.1
225.09137	1.9
228.07828	1.7
239.07037	5.0
240.07678	1.1
241.08463	0.9
243.10205	5.0
245.49098	0.7
253.08549	1.5
256.07333	1.2
257.08054	1.1
265.08374	1.5
266.08847	1.7
267.06686	0.8
269.26083	0.7
271.06049	12.9
271.09634	5.8
280.07050	1.3
281.08005	1.1
282.08646	1.0
285.07767	1.1
287.09109	0.8
288.09955	2.0
293.07806	1.0
294.08432	1.4
295.09497	1.7
296.10101	1.5
299.09091	1.6
303.04999	1.2
303.12311	29.3
307.09393	1.0
308.10040	1.3
308.13556	1.2
313.03525	1.5
313.10687	2.2
318.12106	2.2
320.10147	1.1
331.11789	100.0
335.12787	3.9
336.13144	11.4
353.13882	2.5
354.14246	5.9
364.12735	3.6
381.13376	1.5
382.13812	5.5
399.10019	1.0
399.14975	3.7
400.14767	13.2
417.11798	2.4
438.88324	0.9
493.20935	0.8
535.23376	1.0
561.96283	0.8
579.22479	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	579.1714
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
53.03931	0.9
55.01854	1.1
57.03409	1.3
61.02905	1.3
67.05499	0.8
68.99780	1.1
69.03439	4.5
70.03824	3.5
73.02843	0.8
79.05452	0.8
81.03375	3.0
81.07059	0.8
84.07702	0.7
84.08137	6.0
85.02916	11.1
85.18555	0.6
91.05457	1.0
97.02895	3.5
102.22710	0.7
105.03358	3.2
105.07048	0.8
109.02831	2.4
119.04874	1.1
121.02820	0.8
127.03902	2.3
129.03345	2.4
135.04385	1.8
141.01825	1.1
145.04903	1.3
147.04404	1.5
149.02322	2.8
149.50726	0.6
153.01805	2.7
163.03897	4.3
164.04330	1.2
165.01863	6.5
167.03352	3.4
167.07071	0.8
167.55444	0.7
171.04451	0.9
177.01793	1.1
183.02913	2.3
213.05505	1.3
223.07521	1.5
242.08955	1.2
243.02960	1.1
251.07071	15.0
254.05905	3.4
255.06529	7.9
255.20972	0.7
263.07022	1.0
265.08627	9.1
267.06540	91.9
268.07275	11.0
269.07892	1.4
271.06024	37.2
272.06354	1.1
277.08746	1.3
279.06543	11.9
279.09961	1.9
281.08096	1.9
287.05621	0.7
288.14365	0.8
289.08575	2.6
291.06448	2.3
292.07312	1.5
293.04523	2.4
293.08069	23.7
297.07608	100.0
298.08081	1.0
305.08154	2.1
307.06235	1.2
307.09637	11.0
316.05777	2.2
317.08221	3.3
321.07599	42.2
322.07678	0.9
331.08142	13.8
333.07571	9.1
335.09183	2.0
345.07614	10.0
351.08679	28.2
363.08688	18.0
363.13135	1.3
381.09735	17.1
399.10779	23.2
399.15875	1.3
399.31967	1.1
407.14322	0.8
417.11810	23.4
417.33365	2.2
535.27020	1.1
561.25293	2.8
579.26471	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	579.1709
Annotation	17306-46-6
Peak:m/z	Relative Intensity
54.55553	1.8
54.84858	1.7
57.03428	6.0
63.31280	1.5
69.03432	10.9
71.04996	28.2
71.14767	4.2
74.92088	1.6
76.39597	2.2
83.05041	1.7
85.02904	27.5
88.80322	1.7
111.52534	1.7
119.04912	4.7
121.02866	15.5
129.05432	4.9
133.75258	1.7
145.02800	2.1
163.03925	3.6
165.01845	7.2
167.03366	4.2
167.07056	5.3
187.03894	1.9
189.01883	2.1
190.78049	1.8
191.03328	3.9
195.02829	2.0
215.03474	1.9
217.79132	1.7
225.05420	2.0
225.40305	1.9
229.04819	1.9
233.04436	2.1
267.06522	8.6
270.05188	3.2
271.06021	62.2
271.08792	4.1
279.06485	2.4
281.08206	6.2
283.06024	94.5
284.06741	19.5
285.07584	4.8
294.05286	5.0
295.06042	23.2
297.07547	5.8
307.05984	13.8
308.06900	5.1
309.07593	20.9
313.07065	100.0
321.07602	6.0
323.09052	16.5
325.07013	13.4
331.08142	10.4
333.07535	5.6
335.08884	3.2
337.07056	55.1
347.08969	4.5
349.07047	14.2
351.08633	11.7
355.07846	4.4
359.09286	2.1
361.06934	10.3
367.08127	30.7
375.08539	7.5
379.08075	26.9
387.08707	4.6
397.09201	20.3
405.09610	11.3
409.08902	2.5
415.10229	40.1
423.10666	14.7
427.10196	3.1
433.11325	71.3
439.10150	2.5
441.11685	10.8
457.11176	5.2
459.11551	1.9
475.13010	2.7
481.11224	6.3
507.12817	6.0
525.13953	17.4
543.14917	8.6
561.15552	2.7
579.17175	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	579.1715
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
50.72714	0.1
53.03931	0.2
53.98405	0.1
55.01871	0.2
55.05529	0.1
57.03427	0.2
61.02909	0.2
67.01846	0.5
68.99808	0.4
69.03423	0.6
69.39433	1.2
70.50188	0.2
71.04985	0.6
73.02909	0.1
79.05512	0.2
81.03420	0.5
85.02913	1.8
91.05467	0.6
95.04948	0.1
96.08134	0.2
97.02887	0.4
98.21465	0.2
105.03390	0.5
109.02878	0.3
118.20537	0.1
119.04945	1.8
121.02872	0.8
123.00858	0.2
127.03881	0.2
129.01738	0.2
129.03375	0.3
129.05495	0.2
135.04399	0.2
139.30405	0.1
145.02869	0.7
147.04417	0.4
151.03938	0.1
153.01833	4.8
163.03923	0.7
165.01808	1.1
167.03419	0.4
167.07109	0.3
171.02841	0.4
183.02876	0.4
187.03903	0.3
213.05525	0.2
215.03465	0.2
215.07072	0.2
223.07628	0.3
225.05504	0.4
229.04900	0.3
239.06949	0.2
243.06628	0.4
251.07034	2.0
254.05763	0.8
255.06544	1.2
265.08603	1.8
267.06537	18.7
268.07330	1.5
271.06018	100.0
272.06403	0.9
277.23764	0.2
279.06537	2.4
279.10135	0.5
281.04401	0.2
281.07977	0.5
285.07626	0.4
287.05487	0.5
289.08548	0.5
291.06497	0.4
292.07254	0.3
293.04758	0.2
293.08047	3.9
295.05814	0.2
297.07596	15.0
299.05695	0.2
305.08069	0.4
307.09644	2.2
317.08133	0.7
321.07596	8.0
331.08145	1.2
333.07571	2.0
335.09103	0.3
345.07581	1.9
351.08640	5.8
363.08643	3.8
381.09723	3.6
399.10797	5.5
417.11722	1.7
418.11856	0.2
433.11374	0.3
459.12543	0.3
579.31573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1346
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
51.60086	0.3
53.03944	0.5
69.03425	1.5
71.04969	0.4
71.57587	0.3
79.05458	0.3
81.03410	1.4
84.08140	5.1
85.02907	2.5
85.06506	0.4
87.00819	0.8
87.03757	0.3
91.05476	0.4
97.02876	0.8
99.04434	0.5
105.01845	0.5
105.07008	0.4
106.37796	0.3
107.08600	0.3
109.02865	1.2
119.04960	0.6
127.03941	1.3
130.08630	0.4
135.04417	0.6
137.02275	0.6
139.03851	0.3
147.04419	0.9
147.11382	0.3
149.02351	0.9
150.03127	1.8
151.10999	0.3
152.01064	1.6
153.01836	3.0
159.02905	0.7
161.02338	1.1
162.03127	0.4
163.03880	1.0
164.04703	1.7
166.02682	0.6
167.03391	4.0
167.07027	0.9
170.02147	0.5
175.03935	0.4
175.98566	0.3
185.18024	0.3
191.03360	0.8
211.03996	0.5
214.06351	0.3
217.05016	0.3
226.06175	0.4
227.03658	0.3
228.04153	3.3
239.03395	1.0
242.05814	2.4
242.08115	0.4
243.06459	1.3
254.05804	0.5
255.02873	0.5
256.03705	1.6
257.08383	0.4
267.06543	3.0
270.05191	4.4
270.07892	0.4
271.06015	13.9
273.03888	0.6
275.09198	0.6
279.06546	0.4
282.05298	0.7
283.06006	0.3
284.03116	1.6
284.06158	0.5
285.04486	0.3
285.07492	1.9
287.05490	3.0
293.08087	0.5
297.07678	2.2
298.04651	1.8
299.05472	2.0
301.03452	1.2
303.08850	0.3
307.09720	0.4
313.07114	2.0
316.05786	15.5
321.07645	1.0
330.07040	0.5
331.08109	100.0
332.08411	1.4
351.08588	1.1
359.20016	0.4
363.08698	0.7
370.98282	0.3
381.09665	0.5
399.10767	0.9
399.32120	1.2
417.11917	0.5
417.33398	1.5
438.17300	0.3
535.26868	1.2
558.09509	0.4
561.24951	0.9
579.26404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.135
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
53.03938	0.6
55.01873	0.3
56.40926	0.2
67.05499	1.0
68.99801	1.2
69.03415	0.9
69.07061	0.3
71.58267	0.3
71.58649	0.2
77.03912	0.4
78.77350	0.3
79.05498	2.1
81.03428	2.5
81.07059	0.7
83.04991	2.1
85.02899	1.6
85.03334	0.3
87.00826	1.1
87.04432	0.3
91.05460	0.7
93.07022	0.4
95.04978	2.0
95.08670	0.3
97.02898	0.7
99.04441	0.3
105.01869	0.3
105.03368	0.6
105.04514	0.3
105.06992	0.3
107.04955	2.8
107.08608	0.3
109.02893	1.2
109.10197	0.3
119.04943	1.0
119.08546	0.4
121.02866	0.4
123.04432	16.4
127.03928	1.4
133.02859	1.0
133.06483	0.5
133.10213	0.3
135.04422	7.7
137.02391	0.6
139.03944	0.9
145.04974	0.3
147.04430	1.5
149.02348	2.2
150.03134	0.3
151.03906	45.6
152.04700	3.8
153.01830	2.9
153.05501	0.6
159.02898	0.7
159.11678	0.2
161.05931	0.9
162.03029	0.3
163.03923	3.2
165.05476	100.0
166.05847	0.6
171.02946	0.3
177.01871	0.3
177.05466	2.2
178.06250	4.5
179.03395	9.6
181.04991	0.5
185.06021	0.4
189.05458	0.4
191.07126	0.4
201.05420	0.3
210.27672	0.2
211.32693	0.3
213.05486	0.8
215.07065	0.3
227.07065	0.4
241.04865	0.5
243.06480	1.2
245.08073	1.4
255.06523	0.3
271.05994	3.3
273.07669	0.8
282.05566	0.4
303.08655	2.6
313.07047	0.8
316.05777	0.3
331.08124	57.5
332.08432	0.7
535.22430	0.3
561.13861	0.3
578.34723	0.3
579.22418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
68.99798	0.4
69.03426	1.0
69.07062	0.3
69.20158	0.4
69.20562	2.3
71.04993	0.4
81.03404	0.8
81.07059	0.6
84.08103	0.3
85.02908	1.7
85.06577	0.4
87.00828	0.3
91.05476	0.8
93.07064	0.4
95.08617	0.3
97.02872	0.6
97.06523	0.2
105.01962	0.2
105.07036	0.3
105.21488	0.2
108.88293	0.2
109.02885	0.8
119.04954	0.3
119.27045	0.2
121.02841	0.2
121.10207	0.2
127.03910	1.1
131.04953	0.4
131.08492	0.3
133.02957	0.3
135.04382	0.4
137.02238	0.2
145.02879	0.4
145.05000	0.3
147.04413	1.4
148.05254	0.3
152.01044	0.3
153.01842	0.8
163.03911	0.3
166.99777	0.4
167.07074	2.5
168.00589	1.2
173.06012	0.5
175.03928	0.7
181.05014	0.7
185.00854	0.4
186.01648	0.3
194.02092	0.8
203.03368	0.4
207.06577	0.3
225.05542	0.5
241.04938	0.4
245.04459	6.2
255.06476	1.0
256.03683	1.0
267.06543	2.0
269.04697	0.4
270.05292	1.0
271.06015	9.9
272.06421	0.4
273.03940	11.1
275.08899	0.5
284.03140	0.4
285.04446	0.3
285.07513	1.6
286.04730	0.6
287.05511	5.4
287.08414	0.2
288.06442	0.5
293.07993	0.4
297.07584	3.7
298.04736	2.0
299.05518	0.8
301.03482	11.7
301.07059	1.1
307.09464	0.3
313.07095	0.5
315.04993	2.9
316.05780	32.3
317.06107	0.4
321.07407	0.6
328.64877	0.3
330.06985	0.5
331.08127	100.0
332.08350	1.4
333.07568	0.3
351.08557	0.7
381.09436	0.5
399.10614	0.7
417.16122	0.4
579.21350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01868	2.8
55.05517	13.6
57.03423	9.0
57.03680	2.4
57.07058	3.1
65.03930	4.3
67.05171	3.1
67.05508	46.5
69.07062	15.5
71.04980	5.1
71.56660	2.6
79.05488	36.3
80.05769	2.1
81.03436	4.8
81.07059	44.5
83.04987	4.0
83.08611	11.7
91.05486	23.9
91.74389	1.9
93.07050	45.0
94.05812	2.1
95.04965	7.2
95.08049	3.6
95.08611	48.1
96.08923	3.3
97.06509	4.3
97.10167	2.2
99.04461	2.2
105.07037	21.8
106.07355	2.1
107.04944	5.0
107.08599	30.2
108.08911	2.4
109.06503	2.1
109.10150	12.8
117.07019	7.5
119.08589	14.7
121.06498	8.3
121.10168	19.2
123.11726	3.8
125.05989	3.0
128.06181	2.9
129.06999	2.7
131.08540	8.1
133.10109	10.7
135.08014	2.2
135.11707	31.9
145.10120	20.8
147.11670	5.7
149.13225	3.4
151.03896	2.3
156.09067	2.5
157.10207	2.8
159.11665	4.0
163.11176	36.6
177.05470	3.9
181.12239	6.3
187.07570	2.3
203.06973	10.5
227.12746	52.8
243.10152	4.0
245.12433	2.4
261.22083	5.2
267.10046	2.2
274.99792	2.3
283.15408	32.5
297.90674	2.3
305.82120	2.5
313.10788	2.4
314.11014	3.6
335.25809	100.0
336.26071	2.9
528.37286	6.5
543.36896	45.4
546.39050	4.5
591.59778	2.1
602.16248	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	578.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.05508	16.5
56.83824	2.2
57.03445	9.9
65.03948	3.7
67.05183	2.7
67.05514	49.0
69.03424	2.3
69.07075	17.3
69.25290	3.9
69.25696	15.8
71.04993	4.5
74.09729	2.4
79.05503	42.4
81.03416	2.7
81.07059	51.9
82.07397	3.2
83.04977	4.6
83.08631	12.6
85.06581	2.4
91.05491	23.2
92.05782	2.8
93.06473	3.0
93.07053	44.9
94.07397	3.1
95.04971	8.4
95.08614	47.7
96.08961	2.4
97.02914	2.6
97.06536	6.4
100.53133	2.3
105.07040	19.3
107.04952	4.4
107.08598	30.8
109.10173	9.3
117.07015	11.2
119.08578	18.0
121.06513	6.6
121.10155	19.2
123.08045	2.1
123.11698	2.5
129.07065	3.0
131.08548	11.0
132.08946	2.3
133.10138	8.6
135.08086	2.5
135.11705	30.9
143.08620	2.7
145.10120	22.4
147.11707	3.8
151.07578	2.4
159.11775	4.6
163.11189	36.4
169.10172	2.9
173.13240	4.2
177.05453	3.9
177.09052	2.4
181.12337	5.1
192.07785	3.4
203.07033	13.7
227.10498	3.7
227.12773	56.9
243.10220	4.5
255.13803	2.9
261.22107	5.7
283.15402	35.5
313.10730	2.4
314.11136	3.9
323.63583	2.4
335.25812	100.0
336.26068	3.4
379.11768	3.3
515.24316	4.4
528.37604	8.8
543.36829	46.8
546.38336	7.1
578.40717	2.7
579.38312	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.3
64.43499	8.7
64.59737	9.1
67.05490	30.1
69.07053	14.6
69.31234	43.6
69.31663	39.8
79.05482	19.7
81.03403	15.3
81.07038	31.6
88.16280	9.0
91.05473	37.5
91.39315	7.8
93.07027	31.2
95.04955	12.0
95.08600	25.5
101.14361	9.4
105.07043	34.5
107.08572	31.6
109.10144	35.2
111.04482	10.1
119.08590	19.0
121.06454	10.4
121.10077	12.4
131.08562	12.0
133.10153	12.7
133.95337	9.5
135.11667	24.9
145.10144	14.3
150.25478	10.9
161.13245	9.0
174.40019	8.2
177.05510	11.3
187.07602	10.0
191.07082	24.1
192.07802	31.6
193.12326	10.6
200.27106	9.0
203.07045	100.0
221.37294	11.5
225.01183	10.5
225.09048	10.1
243.10260	53.1
313.18036	15.7
374.13306	12.5
411.14310	33.1
515.24268	28.8
517.52631	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	578.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.1
64.60406	2.5
65.03992	2.2
67.05515	5.9
69.07076	5.0
70.24063	9.8
73.06546	4.8
74.32347	2.0
79.05499	5.3
81.07053	5.6
91.05489	9.5
93.07056	9.7
95.04973	6.9
95.08584	4.4
98.21384	3.7
100.50345	2.6
105.07041	5.1
107.08582	4.8
110.50961	2.3
117.07027	3.0
119.08561	5.1
121.10177	4.1
129.06956	2.7
131.08574	2.3
131.80980	2.1
135.11699	8.8
141.93694	2.9
147.08087	3.1
147.11667	2.7
149.02356	3.6
161.02382	4.9
161.06027	4.1
163.04002	3.9
167.08607	2.6
173.98111	2.4
175.07672	2.9
179.07057	3.3
181.06523	9.3
183.08156	3.6
185.05939	4.4
185.09601	4.7
187.07568	8.0
191.07045	7.2
192.07922	3.8
192.85748	2.5
195.08073	3.5
197.09657	4.9
199.07611	2.4
201.09166	5.6
203.07040	100.0
211.07544	7.5
213.12495	2.3
215.06912	2.7
225.09143	5.9
227.07129	2.4
227.14343	7.7
229.08578	6.3
243.10184	17.7
253.15822	6.3
259.09555	2.5
264.15063	3.1
267.22083	2.6
269.08228	2.6
281.15381	13.1
283.15366	2.4
285.18381	2.5
297.11374	3.9
307.13321	2.7
313.18073	7.9
325.10754	8.9
335.25705	4.7
339.15598	2.8
375.12094	2.6
408.07230	2.3
411.14413	2.3
415.15231	4.4
425.94421	2.4
433.16028	2.6
443.47116	2.5
445.16153	2.5
447.18268	5.7
455.22614	2.8
483.21497	10.0
487.25006	2.6
497.23141	4.0
515.24298	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76034	2.2
55.01871	3.8
55.05506	6.8
57.03419	2.8
60.01524	2.6
67.05515	15.1
69.07089	11.1
71.04985	3.3
72.19736	2.7
79.05508	11.6
81.03424	5.4
81.07063	23.8
82.07380	3.8
83.08639	2.3
85.02891	6.5
91.05492	21.3
92.05802	3.0
93.07061	21.3
94.07386	2.8
95.08614	15.1
96.08931	2.9
97.10205	3.1
105.07048	17.6
106.07382	4.3
107.04997	2.4
107.08630	11.5
109.10152	7.3
117.07018	8.3
119.04957	2.8
119.08607	11.9
121.06526	2.5
121.10158	7.0
129.07004	6.0
131.08592	9.5
132.08904	2.5
133.10156	5.7
134.10446	2.7
135.08069	2.9
135.11694	5.0
141.06992	3.3
142.07828	2.4
143.08614	6.0
145.10156	5.9
147.04506	2.8
147.08063	3.3
147.11713	5.3
149.02319	2.4
149.06026	3.8
151.03905	6.1
151.07581	3.3
152.04219	2.9
155.08595	5.1
156.09367	2.8
157.10080	6.3
159.08034	5.3
159.11740	3.2
161.02376	3.9
161.13266	2.6
167.03403	3.1
167.08569	3.6
171.11693	4.4
173.09711	3.4
175.03821	2.5
175.07544	5.2
177.05489	24.2
177.09088	8.4
178.09921	3.2
179.10664	3.0
185.09578	3.2
187.03801	2.5
187.11165	3.6
189.09094	3.5
191.07072	3.4
191.10692	3.3
195.07986	4.5
195.11612	3.7
197.09613	3.5
199.07533	4.8
203.03410	3.0
203.07039	77.5
207.06514	3.2
213.09065	4.0
215.10690	2.3
217.12151	3.6
225.09123	3.0
241.08583	9.4
243.10194	8.7
245.11694	7.0
247.16939	6.0
255.13765	5.0
257.08176	2.9
267.10162	7.6
268.10544	6.4
269.08112	20.3
273.15076	3.5
287.09256	3.8
297.07516	3.1
298.08084	4.1
313.10764	23.1
313.18207	6.5
314.11066	27.9
323.16376	6.4
324.16782	4.5
331.18903	2.9
338.95203	2.7
341.04465	2.4
353.26639	23.7
357.09708	7.2
357.27438	2.7
358.09845	6.4
366.14438	3.7
368.23444	3.0
379.11908	21.8
436.32974	4.6
447.17987	18.7
475.21219	3.9
497.23233	3.5
515.24310	100.0
528.37878	10.0
533.25513	17.4
536.31085	2.6
546.38660	8.0
578.27466	7.3
578.41766	3.8
579.27307	4.0
579.35419	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	578.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80730	0.7
53.03934	2.1
55.01866	1.5
55.05502	1.3
57.07082	1.4
58.99586	1.6
61.02922	1.0
63.33136	0.6
67.05515	1.6
68.30011	0.6
68.99767	0.7
69.03430	43.3
69.07060	2.5
70.33134	3.0
71.04990	1.4
73.02916	1.4
76.02218	2.6
79.05512	1.7
81.03413	5.5
81.07043	3.5
83.04980	2.6
83.08609	1.2
85.02910	12.6
85.06537	1.9
87.00840	4.0
91.05492	2.0
93.07069	3.5
95.08617	5.4
97.02889	3.0
97.06525	2.5
98.21370	0.8
99.04444	2.5
105.01878	2.4
105.07011	3.2
107.08597	11.4
109.02884	5.2
109.06526	2.8
109.10145	1.5
111.08074	2.1
117.29613	0.8
119.08592	3.6
121.02876	2.7
121.06488	1.4
121.10143	10.8
122.02698	8.4
123.08073	1.2
123.11697	6.4
125.09631	12.4
127.03928	9.7
131.08583	4.4
133.10118	3.5
135.08040	8.8
135.11690	5.7
145.04985	2.2
145.10139	2.0
147.11681	2.5
149.09595	6.5
149.13264	2.7
151.11191	0.9
153.09131	4.5
158.10895	2.6
159.02907	2.5
163.11171	2.1
163.14818	4.5
165.12778	2.0
167.10693	0.8
173.13272	17.0
189.12781	0.7
191.14307	63.3
192.14658	1.0
209.15373	100.0
210.15746	1.0
223.11491	2.6
231.05055	1.7
238.10188	0.9
241.12596	2.5
295.05951	1.3
296.06332	2.7
307.05984	1.1
308.06357	2.6
309.07120	1.4
310.07980	0.8
321.07697	1.0
322.07953	2.5
325.06973	2.5
326.07401	3.6
330.17343	4.9
331.32578	0.7
336.09274	1.5
338.07510	1.1
350.07364	2.4
351.09000	1.0
351.13501	0.7
352.09076	1.6
360.79596	0.8
362.07263	1.3
379.08383	1.0
380.08505	3.7
391.07980	0.7
392.08279	1.5
404.08362	1.7
410.09439	2.0
422.09247	1.2
427.10175	1.1
428.10190	1.2
440.10324	1.2
458.11737	5.0
462.47797	0.8
482.11563	2.2
500.12668	2.2
506.11783	1.3
512.12549	1.9
524.12402	1.8
542.13483	1.5
560.14648	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01863	1.2
55.05512	1.2
57.03427	0.8
61.02934	0.8
67.05503	3.2
69.03432	3.8
69.07068	2.1
71.04979	1.7
71.58466	1.3
79.05492	1.2
79.60038	0.7
80.33141	0.7
81.03410	1.1
81.07063	4.7
83.08625	0.7
85.02904	4.8
85.06561	1.4
91.05480	2.0
93.07030	2.0
95.08629	4.0
97.02893	2.3
97.10168	0.9
99.04466	0.9
105.07027	1.5
107.08608	1.7
109.02853	1.2
109.10152	1.7
110.06022	0.7
115.33115	0.7
119.08580	1.4
121.06510	1.4
123.11693	0.7
127.03919	2.3
133.02853	1.9
133.10126	0.9
137.05956	1.5
144.16429	0.9
145.10201	0.9
149.06035	0.9
151.07555	1.1
153.05495	1.1
167.03467	1.0
167.07101	1.2
177.05582	1.0
193.04942	1.6
199.07568	0.9
209.02824	0.7
227.06982	1.8
233.09457	1.1
235.07634	0.9
237.09088	1.5
239.06938	1.6
241.08684	0.9
247.11252	0.9
248.08279	0.8
249.05585	1.0
250.06519	1.2
250.09885	1.0
251.07076	1.6
251.10785	0.8
252.07838	2.5
253.08669	1.9
258.10443	1.2
261.05606	1.2
261.08997	1.9
263.07056	0.9
264.07779	1.0
264.11380	1.1
265.08627	6.9
265.11292	1.3
267.06583	3.1
268.07339	1.1
269.07983	1.0
273.55203	0.8
275.07156	1.5
275.10516	1.0
276.11447	0.9
277.05051	0.9
277.08521	2.4
279.06516	2.3
279.09735	1.5
279.13715	1.4
281.08112	4.6
283.09485	1.1
286.10086	1.4
288.05725	1.0
289.08688	1.6
289.12152	2.0
291.06494	2.4
291.09885	1.3
292.07315	4.4
292.10910	3.2
293.08075	4.5
293.11740	2.5
294.08893	3.9
295.09677	9.9
296.11185	0.8
301.08618	1.7
302.09402	3.1
303.10040	2.4
303.12881	1.1
304.10938	2.2
305.08197	3.7
305.11148	0.8
306.08966	1.4
307.09698	7.1
307.13306	8.9
309.11353	1.8
309.14694	1.2
310.11789	1.8
311.29456	0.9
317.11755	10.4
319.09604	2.2
320.10355	4.8
322.11960	1.4
325.14389	1.4
329.06717	1.0
330.06827	1.8
331.11789	5.4
333.07474	2.1
335.12787	100.0
346.63547	0.8
353.13873	46.4
354.14853	0.9
363.12265	27.4
381.13318	31.5
399.14420	86.2
439.02722	0.8
578.11414	1.0
578.29382	1.7
587.10773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01871	3.0
55.05511	17.2
57.03439	4.9
57.07074	2.1
59.05006	2.2
65.03944	3.4
67.05506	38.9
69.03413	1.6
69.07073	15.3
69.90984	2.1
69.91387	3.8
70.33622	1.0
71.04972	5.1
77.03931	1.4
79.05492	24.4
81.03416	9.2
81.07059	44.8
83.04983	3.4
83.08625	8.1
85.06548	3.6
91.05486	28.0
93.07048	28.8
95.04978	10.5
95.08612	28.2
97.06528	4.8
97.10178	7.9
98.20663	1.3
103.05427	1.4
105.04508	1.3
105.07034	30.3
107.04968	2.9
107.08604	19.1
108.02056	1.3
109.06519	4.2
109.10155	16.6
111.04452	1.0
111.08069	3.0
111.49105	1.1
115.05444	1.2
117.07013	7.2
119.08585	24.1
121.06516	4.0
121.10160	15.0
123.04483	1.2
123.08054	2.9
123.11706	6.2
125.06079	1.0
125.09637	4.5
128.06201	1.4
129.06978	6.0
131.08583	15.7
131.33488	0.9
133.10132	10.9
135.04440	4.4
135.08095	2.7
135.11699	8.8
136.05217	2.4
137.05972	4.4
137.09633	1.9
141.06984	1.6
143.08589	5.7
144.09351	1.9
145.10139	13.7
147.08119	2.1
147.11705	12.8
148.05220	2.0
149.05960	1.2
149.09627	3.4
149.13272	4.6
151.03902	25.6
151.07549	9.4
155.08542	3.4
156.09271	1.6
157.10162	6.4
159.11694	8.6
160.53171	1.1
161.05998	2.9
161.09613	1.2
161.13268	5.1
163.03941	2.0
163.07481	1.1
163.11165	2.2
163.14857	1.5
165.05423	1.9
165.12814	1.2
167.08563	1.8
167.10727	1.3
169.10153	4.3
171.11650	5.1
173.09712	2.2
173.13240	5.3
175.07500	5.6
175.11201	2.0
175.14821	4.1
177.05519	1.6
177.12857	1.4
179.07066	8.2
183.11815	2.4
185.13271	3.2
187.11121	1.1
187.14825	4.9
189.11249	4.2
189.12766	1.3
189.16447	1.6
192.04187	2.4
193.12289	2.9
195.11856	1.5
197.13324	2.8
199.14848	2.9
201.16478	3.0
203.07053	2.6
203.17924	4.4
207.06519	23.7
208.07303	6.1
213.09178	1.6
219.17419	1.4
227.10806	1.7
227.12723	6.0
239.06998	1.8
241.08582	2.5
242.09375	2.0
243.10005	1.2
247.17004	2.7
251.07158	1.6
254.09430	1.2
257.11847	2.5
259.20532	1.8
261.22147	3.2
267.06760	1.8
267.10257	3.4
267.15851	7.8
269.08136	8.5
269.11703	3.8
281.08002	3.2
283.05893	2.0
287.23856	2.1
289.21472	1.4
297.07559	9.4
298.08322	4.3
301.25293	3.5
303.23151	2.6
313.10690	100.0
314.10886	2.5
323.16351	2.0
329.10385	1.5
331.11856	4.1
335.22534	1.1
335.25806	7.2
343.11752	3.5
351.23224	1.7
355.26294	1.4
357.09677	25.2
359.11188	1.9
359.25851	1.2
363.25314	1.8
365.13507	2.0
379.22461	5.1
417.31393	2.9
435.27283	1.5
435.32635	5.9
453.33600	5.9
471.34671	3.4
501.35123	1.3
509.36414	1.9
527.37372	21.7
545.38440	16.7
559.26892	17.4
559.39984	3.5
577.28802	8.8
577.40393	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	577.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76407	2.7
53.03945	10.1
55.01880	5.0
55.05514	46.6
57.03429	13.4
57.07079	5.1
63.42764	2.9
64.97918	2.7
65.03935	4.9
67.05510	93.8
69.03426	6.1
69.07074	35.5
69.28736	8.8
69.29156	21.7
71.04997	20.2
79.05063	5.5
79.05502	67.3
81.03431	25.4
81.07060	100.0
83.04979	8.9
83.08630	24.3
83.93074	3.2
85.06544	8.3
87.95244	3.2
89.21712	3.2
91.05489	67.0
93.07049	73.2
95.04971	19.4
95.08616	67.3
97.06531	13.1
97.09607	3.1
97.10160	17.5
98.21280	14.1
99.08076	3.6
103.05464	3.2
105.04514	4.3
105.06364	6.1
105.07032	69.1
107.04974	6.4
107.08617	49.1
109.06493	7.8
109.10171	36.7
111.08099	4.7
115.05463	3.1
117.07032	24.2
119.08586	42.5
121.06497	6.3
121.10155	36.4
123.08103	7.1
123.11700	14.4
125.09625	12.3
128.06212	4.5
129.07030	16.8
131.08582	37.0
133.10146	37.2
135.08049	3.7
135.11671	20.6
137.09656	7.5
141.07010	4.4
142.07761	4.4
143.08574	15.7
145.10139	33.3
147.08006	6.3
147.11728	25.8
149.09641	6.9
149.13249	8.2
151.04018	3.6
155.08578	8.5
157.10115	16.5
159.11682	30.6
161.13255	14.0
163.11179	4.5
163.14804	4.9
165.12775	3.3
169.10130	9.6
171.11676	15.6
173.11909	4.0
173.13284	17.8
175.11151	5.1
175.14867	8.3
181.10194	3.7
183.11694	5.9
185.13281	8.7
187.14835	7.8
189.11195	10.3
189.12750	3.5
193.12233	11.2
197.13315	8.5
198.21031	3.6
199.14845	5.5
203.07056	7.8
223.14980	3.8
227.12740	15.0
227.17973	3.7
235.16983	3.6
239.39131	3.0
243.21155	3.9
261.22159	6.3
267.10052	8.9
267.15955	26.2
275.37170	3.9
285.22174	7.1
287.23602	5.1
289.21552	5.5
293.99149	3.4
301.25284	14.6
303.23236	7.1
313.10788	8.4
333.24243	5.6
335.25806	23.0
363.24957	5.8
379.12000	5.0
417.31393	6.5
435.27487	3.7
435.32559	18.1
453.33801	20.3
471.34641	9.5
509.36511	4.2
527.37329	72.6
545.31537	4.8
545.38507	45.4
559.39825	9.2
577.25006	12.1
577.41089	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58239	3.0
55.05503	4.1
67.05489	10.4
69.07056	7.3
69.48194	11.8
69.48621	11.2
79.05493	6.1
81.07059	8.3
83.08608	3.9
84.35215	3.0
91.05485	61.0
92.05795	3.5
93.07010	7.5
95.05001	3.7
95.08600	12.6
103.05434	3.2
105.07044	21.2
107.08598	6.6
109.06546	3.5
109.10150	8.8
114.49908	2.9
119.08579	17.4
120.18314	3.0
121.10159	5.7
124.23311	2.6
126.89798	2.9
131.08549	4.4
133.10155	5.6
135.11671	4.9
145.10129	4.5
147.11668	4.9
151.03902	11.2
151.07526	4.2
151.11105	2.7
152.82764	2.6
177.05487	6.1
179.08588	4.0
181.10115	4.5
189.05420	5.9
201.05330	3.5
203.06964	6.2
203.18018	3.3
207.06572	5.1
209.09650	3.8
237.09093	9.2
246.29755	3.4
267.10168	100.0
268.10538	6.3
269.08160	4.6
285.11282	13.7
297.07669	3.6
298.08157	3.8
313.10699	57.6
321.14908	11.7
323.16348	9.0
324.16626	4.0
325.16904	5.1
339.15970	86.0
357.09662	12.3
357.16815	4.1
511.49274	3.2
515.91034	2.9
577.36951	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	577.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.05516	23.6
56.43523	2.3
57.03434	4.2
57.07073	14.4
67.05173	2.9
67.05508	40.8
69.03445	18.0
69.07074	40.3
70.95438	2.4
71.08618	5.7
71.56198	4.4
79.05497	17.3
81.03417	13.6
81.07061	100.0
83.08620	29.1
85.02909	29.8
85.06542	17.6
87.00833	12.0
91.05491	9.3
93.07043	18.9
95.04965	5.5
95.08611	80.3
97.02892	9.5
97.06542	5.0
97.10178	23.1
99.04473	3.9
99.07563	2.5
99.08077	12.6
105.01884	7.4
105.07050	8.7
106.77120	2.2
107.08579	14.4
109.02880	9.3
109.10168	58.2
111.08078	7.1
111.11692	12.0
117.01802	2.6
118.68200	2.3
119.08598	3.4
121.10147	11.0
123.11721	29.9
125.13268	6.4
127.03899	19.1
133.10088	3.0
135.11694	11.4
137.13257	11.7
143.08606	2.7
145.04967	7.2
149.13249	12.8
151.14893	12.8
159.02959	4.4
163.14813	7.8
165.16438	6.8
173.09616	3.2
177.16437	4.1
191.18025	3.5
204.23691	2.4
205.19592	4.7
223.78342	2.8
241.21646	4.0
247.05821	3.0
255.23253	3.0
263.27396	6.0
275.27402	5.0
285.07483	6.1
287.05615	9.8
293.28442	35.2
299.29401	7.3
311.29477	57.9
329.10092	3.4
329.30594	13.1
577.16516	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	577.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.4
55.18571	2.0
67.05512	12.2
69.07062	7.8
70.44342	2.2
71.05005	2.5
79.05482	7.5
81.07068	13.6
83.08606	2.2
91.04961	3.8
91.05486	45.6
93.07030	10.6
95.04966	6.5
95.08629	9.8
103.05489	3.6
105.07037	15.7
107.08585	8.7
109.06536	3.3
109.10175	13.8
117.07051	2.3
119.08566	11.2
121.06545	3.1
121.10120	5.0
123.08065	3.2
127.11173	2.1
131.08549	2.5
133.10109	6.6
134.55698	1.9
135.11702	3.5
137.09567	2.1
137.13264	2.5
145.10106	5.9
147.11771	4.8
149.09602	2.5
151.03915	19.9
151.07520	6.0
157.10155	2.3
159.11662	2.6
161.05998	4.9
161.13177	3.0
162.10600	2.4
170.90956	2.2
173.13141	2.7
175.07556	5.6
177.05455	2.4
179.07083	3.9
179.08548	3.6
181.10188	2.3
189.05460	7.8
201.05630	2.1
203.17969	4.2
205.15842	2.3
207.06528	8.0
211.07442	2.6
237.09048	7.0
239.10716	3.7
243.10216	2.7
243.21045	3.1
249.09109	3.0
253.08623	3.1
254.09328	2.4
255.10002	2.5
257.11783	2.5
267.10175	84.7
268.10541	3.3
269.08115	7.0
279.09927	2.1
281.08011	3.5
285.11237	14.1
297.07669	12.1
298.08444	4.7
313.10712	100.0
321.14877	11.4
323.16034	7.0
330.49762	2.6
331.26352	4.5
339.15948	74.7
357.09708	18.3
379.22507	8.1
519.36908	2.5
541.33813	2.3
542.33307	4.9
559.36597	4.9
577.38013	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	577.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
59.56443	0.6
63.71227	0.7
64.51834	0.6
65.03942	0.9
67.05488	2.3
69.07077	5.8
69.90855	1.5
69.91270	2.6
79.05484	1.7
81.07057	4.9
91.05482	52.9
93.07034	3.4
95.08595	4.0
103.05447	0.6
105.03388	1.6
105.07033	6.6
107.08623	4.6
109.10139	3.2
111.08218	0.8
117.07005	0.8
119.08583	2.7
121.06519	4.7
121.10173	3.3
122.18944	0.7
123.08037	1.4
123.11710	1.1
131.04877	0.8
131.08589	1.3
133.10126	2.1
135.08055	7.1
135.11664	0.9
140.63089	0.7
145.10107	3.5
149.09615	1.2
149.13297	1.1
159.04420	1.1
159.11697	2.3
163.11165	1.4
165.07002	1.7
166.07788	2.4
178.07785	1.0
179.08603	2.7
179.98436	0.7
181.06606	0.8
181.10069	2.0
189.05513	5.3
191.08624	1.4
191.18037	0.8
194.07309	1.9
201.16402	1.7
209.09627	3.2
211.11160	1.6
219.08096	0.8
219.17499	1.2
221.09822	0.7
237.09056	3.5
239.10681	2.7
249.09042	1.0
267.10175	100.0
268.10602	1.5
285.11261	12.7
309.76230	0.7
323.16431	34.1
453.57455	0.8
462.39008	0.8
577.27618	3.3
577.35724	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	577.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89292	0.4
55.01884	0.9
57.03438	0.5
67.05506	1.0
67.46827	0.5
68.99817	0.5
69.03432	4.0
70.06602	0.7
70.50945	0.4
70.65655	1.6
71.04996	0.6
72.08157	1.0
73.02917	0.7
81.03420	1.1
81.51531	0.5
82.31270	0.5
83.04979	1.3
84.08145	0.9
85.02908	3.0
87.04451	0.8
93.07036	0.8
95.04983	0.8
97.02900	64.3
99.63315	0.4
102.80537	0.5
107.04982	0.6
109.02877	1.4
111.04445	4.4
115.03939	4.6
118.73913	0.5
119.04990	1.2
121.02875	4.3
127.03925	100.0
128.04283	0.6
128.07101	1.2
131.04892	0.7
137.05969	0.7
139.03883	0.7
145.02870	0.5
156.43523	0.5
157.04979	4.8
167.07019	0.7
177.01804	0.6
177.05508	0.5
189.01878	0.9
191.14302	1.0
195.02895	0.7
203.03424	1.5
207.02855	0.8
209.15398	1.1
211.50316	0.5
229.05060	0.6
253.07059	1.8
257.04758	0.6
267.06604	0.5
271.08279	3.2
279.06445	0.5
280.07141	0.7
283.06091	0.8
285.03937	0.5
287.05515	0.7
289.09149	3.4
293.08203	0.8
294.05356	0.9
295.06039	10.4
296.06607	0.9
307.06067	5.3
308.06689	2.1
309.07553	1.8
313.06961	1.0
320.06580	0.5
321.07571	5.3
322.08276	1.4
323.08862	1.0
325.07071	8.6
333.07581	1.5
335.09082	2.1
337.07062	3.8
337.10379	0.6
345.07739	0.8
347.08966	1.4
349.07071	5.3
351.08728	3.5
353.06393	0.5
357.07352	0.6
361.07141	2.8
363.08640	1.0
365.10159	0.7
373.06946	0.5
374.07718	0.7
375.08594	1.7
379.08142	7.7
381.09827	0.6
385.07126	0.5
389.10345	1.2
391.08200	3.7
403.08185	2.9
409.09128	5.7
415.08133	0.6
421.09219	2.0
427.10464	4.4
439.10135	2.8
445.10428	1.2
457.11267	7.9
463.10059	1.0
481.11398	4.6
499.12344	2.6
505.11313	0.9
511.12311	2.6
523.12177	3.2
529.13745	0.8
541.13324	4.3
559.14362	3.1
577.14539	1.1
577.22815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
60.84026	0.3
67.05502	0.4
69.03418	0.4
69.07089	0.4
71.58215	0.5
72.08173	0.3
78.75227	0.3
79.05485	0.3
81.03414	0.7
81.07056	1.0
84.08140	1.2
85.02919	0.8
91.05486	0.5
91.92618	0.3
93.07012	0.5
95.08609	0.8
97.02924	0.4
97.06512	0.3
99.04402	0.3
105.07019	0.4
107.04956	0.4
107.08610	0.4
109.02882	0.4
109.06520	0.4
109.10159	0.8
110.25397	0.3
119.04943	0.7
119.08575	0.6
121.10115	0.4
123.04458	0.3
127.03976	0.5
135.04340	0.3
135.11673	0.7
137.02312	1.6
137.05997	0.4
147.04375	0.4
160.10770	0.3
163.03902	1.2
167.03413	0.5
167.07019	0.7
175.03958	0.3
175.14828	0.4
177.05472	0.3
178.06238	2.2
193.15948	0.4
198.80664	0.3
200.04697	0.8
201.05408	0.4
204.04175	0.4
207.06607	0.5
209.04535	0.4
211.04018	0.5
211.17024	0.3
212.04666	0.4
215.06982	0.3
225.05531	1.0
227.07051	0.8
228.04202	0.8
229.04984	0.3
239.03378	7.9
240.03979	0.3
241.04842	0.3
243.06599	2.4
253.04982	2.3
254.05869	0.3
255.06622	0.4
256.03561	0.4
265.04895	0.6
267.02881	1.2
267.06198	0.4
268.07318	0.5
270.05246	0.3
271.06046	9.6
272.06302	0.4
281.04434	1.9
282.05264	0.4
283.06061	3.4
284.03299	1.6
285.07175	0.4
287.05579	0.8
295.05875	0.6
296.06808	1.3
297.04556	0.3
297.07623	1.5
299.05524	41.1
300.05902	0.7
313.07135	1.5
314.07864	20.7
315.08356	0.6
329.10220	100.0
330.10489	1.5
349.07098	0.3
415.31650	0.4
577.15308	1.6
577.29938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57301	0.1
53.03950	0.1
60.12198	0.1
60.15063	0.1
61.02931	0.1
67.05514	0.2
69.03449	0.3
69.07070	0.2
71.00286	0.2
71.00599	0.1
79.05515	0.2
81.03452	0.1
81.07072	0.4
83.08648	0.2
85.02926	0.3
91.05492	0.2
93.07019	0.2
95.08630	0.3
97.02913	0.2
107.04975	0.1
108.02106	0.2
108.05774	0.1
109.02892	0.2
109.10179	0.3
119.04974	0.2
121.02898	0.2
121.06520	0.8
123.00843	0.3
123.04466	0.1
123.11721	0.1
127.03940	0.2
132.05717	0.4
133.02849	0.6
133.06511	0.2
135.04442	0.2
135.08084	0.3
137.02379	0.7
137.05991	2.6
137.07040	0.1
138.03134	0.5
147.04465	0.2
148.05193	5.3
149.02385	0.3
149.05988	0.7
151.00287	0.3
151.03972	0.3
151.07567	0.5
152.01064	1.2
153.01845	2.6
153.05460	0.2
153.06982	0.1
155.08603	0.1
159.04372	0.1
161.02367	0.2
161.06007	0.4
162.06754	1.2
163.03903	0.2
163.07582	0.3
164.08363	0.5
165.01962	0.2
165.06960	0.1
166.02641	0.9
167.03439	0.3
167.07092	0.1
169.06502	0.4
170.02162	0.2
170.07294	0.2
176.04756	0.1
177.05489	0.4
178.02647	0.4
178.06140	0.1
179.07037	0.3
180.07225	0.2
181.05016	0.2
181.06430	0.2
182.07353	0.2
183.08084	0.1
185.09558	0.1
191.03401	0.3
191.07047	0.9
192.07764	0.7
193.08128	0.3
194.08546	0.2
197.05997	0.5
198.06720	0.3
199.07523	0.2
209.06029	0.2
211.07568	0.3
212.08372	0.2
213.09108	1.2
214.09499	0.2
215.07021	0.3
225.05487	0.4
226.06259	0.5
227.07086	0.3
229.08687	0.3
239.07106	0.3
240.07828	2.5
241.05147	0.1
241.08629	0.3
243.06516	0.7
253.04942	0.3
254.05669	0.3
255.06696	0.3
257.08160	0.2
267.06613	0.3
268.07312	5.0
269.08121	1.4
270.05435	0.1
271.05997	1.9
273.11230	1.1
281.04419	0.2
282.05276	1.0
283.06085	1.2
284.06802	0.4
285.07623	2.5
286.08331	0.7
287.05472	0.2
296.06815	3.1
297.07510	0.9
299.05551	1.9
300.06281	0.9
301.10590	0.3
311.05664	0.2
311.29697	0.1
313.04230	0.1
313.07062	6.7
314.07858	17.0
315.08112	0.2
329.10202	100.0
330.10553	2.1
397.15744	0.6
403.88275	0.1
413.15866	0.5
414.16281	0.5
415.16684	1.8
540.68195	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	577.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.2
69.03429	0.6
69.07059	0.3
69.45422	1.4
73.34477	0.2
81.03420	0.4
81.07052	0.5
85.02912	0.6
90.45000	0.2
91.05444	0.2
93.07082	0.2
95.08586	0.6
97.02913	0.4
97.06521	0.2
105.07018	0.3
107.04967	0.2
107.08575	0.3
108.02063	0.5
108.05724	0.3
109.02906	0.4
109.06519	0.2
109.10148	0.3
111.04456	0.2
119.08556	0.2
120.35967	0.2
121.06504	0.5
121.10126	0.2
123.04442	0.4
123.11725	0.2
127.03893	0.4
132.05710	0.8
132.07993	0.2
133.06506	0.2
135.04427	0.9
137.02354	0.4
149.02330	0.2
149.13248	0.3
151.03899	0.4
152.01038	0.3
153.07193	0.2
154.02635	0.2
155.03419	0.2
163.03946	0.2
165.05479	0.4
167.03406	0.4
169.04964	0.5
169.06485	0.5
175.03911	0.2
177.05534	0.2
181.04907	0.3
182.07237	0.3
183.08101	0.3
184.08810	0.3
193.05051	0.5
196.03679	0.2
197.06003	0.7
198.06778	0.8
209.05989	0.4
211.07593	0.8
212.08389	0.3
213.09097	0.7
225.05455	0.6
225.08990	0.2
226.06221	1.4
227.07085	0.8
229.08658	0.6
237.05492	0.2
239.07040	0.5
240.07823	4.6
241.08591	2.2
243.06494	0.5
244.49519	0.2
253.05029	0.4
254.05731	0.5
255.06528	0.4
257.08072	0.2
258.08875	0.3
267.06641	0.5
268.07312	7.2
268.37540	0.2
269.08054	1.9
270.08884	0.2
271.06036	0.7
273.11227	1.5
282.05151	0.3
283.05975	0.5
284.06781	0.5
285.07593	6.0
286.08261	0.5
287.05429	0.3
291.27020	0.2
296.06821	6.6
297.07562	1.5
299.05573	1.1
299.08615	0.2
300.06299	1.1
300.09653	0.4
313.07068	12.6
314.07846	6.7
329.10202	100.0
330.10455	1.5
371.11011	0.2
491.15326	0.3
533.16595	0.3
577.15393	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	577.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01872	1.1
55.05511	1.4
56.56417	0.9
57.03437	2.8
61.02927	1.9
62.30835	0.9
62.68226	0.9
63.76795	0.9
65.03948	1.5
65.46822	0.8
67.05510	3.1
68.99800	1.0
69.03444	7.6
69.07067	1.8
71.05000	1.2
71.58076	0.8
73.02882	1.3
77.70046	0.9
79.05499	3.4
81.03411	5.3
81.07081	5.1
85.02917	12.9
85.06548	1.7
87.00841	5.4
91.05492	3.5
91.14081	0.9
93.03400	3.2
93.07063	3.3
95.04977	1.9
95.08619	6.4
97.02918	6.1
97.06551	2.4
99.04465	3.6
105.01859	2.1
105.07024	2.4
107.04949	1.2
107.08604	2.8
109.02888	3.9
109.06530	1.8
109.10181	2.5
111.04439	3.3
117.01911	1.2
119.04980	2.8
119.08568	1.6
121.02888	3.5
121.06528	2.5
121.10203	1.2
123.04398	1.4
123.08051	1.1
123.11760	1.6
125.06020	2.9
125.09628	1.4
126.36400	1.1
127.03941	5.8
127.97945	1.1
131.08640	1.4
133.02879	5.4
133.06563	1.0
137.05988	21.3
145.04965	2.0
146.03673	1.9
147.04378	5.7
149.06004	3.5
151.03923	25.1
151.05008	2.0
153.05489	13.7
159.02902	2.8
161.05998	70.3
163.03938	4.6
163.07617	1.6
165.05534	5.4
177.02007	1.1
177.05487	16.2
178.06252	18.2
178.79079	1.1
179.07047	3.0
179.75844	1.1
189.05431	4.9
239.10645	1.2
241.08801	1.2
269.08069	3.2
271.05960	3.0
285.07724	1.9
287.05466	7.0
297.07727	1.8
299.05545	2.0
301.10651	6.1
311.29681	1.5
313.06863	1.4
314.07867	1.4
329.06830	5.3
329.10208	100.0
330.10501	1.7
353.10068	2.6
371.11145	1.4
395.11270	2.2
542.87305	1.1
577.20935	4.4
577.29260	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01836	1.7
57.03436	2.8
61.02881	3.0
62.24251	0.5
65.03908	1.4
68.99776	0.5
69.03424	2.4
69.68713	2.2
71.01293	0.6
71.16270	0.5
71.76669	0.5
72.08116	0.6
73.02876	1.4
81.03407	2.8
81.07036	0.6
85.02906	7.8
85.40960	0.4
85.88739	0.5
91.05499	2.5
93.03356	1.7
96.08152	0.6
97.02837	2.1
103.03954	3.1
103.05401	0.8
105.03358	0.7
105.06989	1.3
107.04958	3.0
109.02848	3.2
109.06478	0.8
111.04385	1.1
115.05342	0.6
119.04954	9.2
119.08541	0.6
121.02871	38.6
121.03796	1.4
121.06493	1.2
121.10136	0.6
122.70601	0.4
123.04332	0.8
123.11693	0.9
127.03916	0.8
128.10683	0.7
128.90683	0.5
129.06999	0.5
131.04875	1.4
131.08485	0.8
133.06435	1.6
135.04379	1.8
139.03865	0.8
143.04869	0.8
145.02827	4.5
145.06337	0.7
145.10068	0.8
147.04326	1.9
149.05959	1.1
151.03784	0.9
155.04892	0.8
157.06358	0.5
159.04350	2.0
161.02310	1.7
161.05902	1.6
163.03871	1.9
165.01776	1.6
169.06551	0.5
171.04346	1.2
173.02327	0.7
173.05922	1.2
175.03860	2.2
177.00479	0.5
177.01851	5.7
177.05420	2.1
179.03398	3.3
181.04941	0.5
183.04384	0.8
185.05910	1.1
187.03868	2.7
189.01840	9.7
189.05412	1.7
189.12656	1.1
190.02582	2.0
191.03403	2.8
191.14322	1.4
195.02893	7.0
197.04413	0.8
197.06041	1.2
199.03905	2.5
201.01761	1.5
201.05458	2.4
203.03392	19.6
204.04161	0.9
205.01443	0.5
205.04970	3.5
207.02872	7.0
209.15312	1.3
211.03882	2.0
213.05417	1.3
215.03365	3.8
215.06938	0.8
217.04953	7.2
219.02844	1.8
219.06487	1.7
221.04411	3.4
223.07556	0.5
225.03702	0.7
225.05521	1.3
227.03334	2.9
227.06885	0.5
229.04956	4.9
231.02959	2.6
233.04510	4.6
235.02403	0.5
235.06075	0.9
237.05537	1.0
239.03355	2.0
239.06985	1.0
241.04941	1.7
243.02876	2.5
243.06493	2.3
245.04338	1.5
247.05959	1.1
251.03120	0.5
251.06992	1.8
253.05013	1.3
254.05693	1.3
255.02864	4.4
255.05264	0.5
255.06653	1.1
257.04428	3.0
261.03943	1.1
266.05862	0.6
267.03009	0.9
267.06522	3.4
268.07391	4.8
269.04391	1.6
269.07874	0.7
271.06027	1.4
273.03946	2.4
277.08441	0.8
279.06549	5.5
280.07190	0.9
281.04477	1.4
281.08038	2.4
282.05127	1.2
283.06018	8.3
284.06735	1.7
285.03897	2.9
287.05368	0.9
291.06619	1.4
292.07208	1.7
293.08081	6.2
294.05219	6.2
294.08737	1.5
295.06024	100.0
296.06738	8.6
297.07587	9.5
303.04718	0.6
304.07339	1.2
305.08112	2.9
306.08850	1.2
307.06015	49.8
307.09320	2.1
308.06775	21.6
308.09644	0.4
309.04025	2.5
309.07544	12.9
309.11044	1.1
312.05869	0.5
313.07016	4.5
317.08075	2.7
318.08887	1.4
319.05966	3.3
319.09647	1.5
320.06830	4.4
321.07581	44.5
322.05020	0.7
322.08340	18.0
323.05472	3.2
323.09116	6.1
325.07059	95.4
326.07339	1.4
329.08258	2.4
331.06146	1.1
331.09555	1.2
332.06610	1.4
333.07578	15.2
333.16547	0.6
334.08224	2.0
334.26489	0.5
335.05472	2.0
335.09119	22.3
336.06232	3.9
336.10031	1.4
337.07068	30.6
337.10547	1.4
339.05008	0.9
339.08487	2.7
345.07657	4.0
346.08423	2.4
347.05447	1.1
347.09140	15.9
349.07065	47.5
350.07590	2.6
351.08633	37.3
352.08817	0.7
353.06622	1.4
355.08060	1.4
357.07431	3.5
359.09161	3.0
361.07004	26.3
361.10858	4.6
362.07660	1.3
363.08603	10.6
365.06522	1.0
365.10284	12.2
367.08221	2.7
371.08990	0.8
373.07071	9.0
374.07825	2.4
375.04700	0.8
375.08640	15.6
377.06473	1.8
377.10184	1.6
379.08121	78.6
380.08694	1.4
381.09482	1.2
385.07065	5.1
387.08661	4.8
389.10397	5.6
391.08105	34.2
392.08408	0.8
393.09631	2.8
397.09085	1.0
399.08517	1.3
401.10519	3.5
403.08093	30.8
404.08420	0.9
405.09653	1.6
409.09192	46.9
410.09412	1.2
413.10162	1.6
415.08102	5.7
417.09772	4.5
421.09195	24.2
425.08597	0.7
427.10297	53.4
428.10376	0.7
429.09641	1.9
431.11166	2.1
433.09174	5.3
434.09457	0.8
435.10736	0.7
439.10263	30.4
440.10449	1.3
441.09616	1.0
445.09583	8.3
449.12387	1.0
451.10052	1.0
457.11316	83.1
458.11414	1.1
459.10803	0.8
463.10208	10.8
469.09616	2.0
475.10117	4.1
477.11679	0.8
481.11307	48.4
487.10205	5.3
493.11157	5.7
495.13150	0.8
499.12381	28.5
505.11304	9.4
511.12390	26.7
523.04382	1.1
523.12372	27.6
529.13495	7.5
541.13422	33.8
559.14429	25.6
560.14948	0.7
577.15424	10.5
577.23444	0.6
577.31274	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	577.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65082	0.1
53.03933	0.2
53.89289	0.1
55.01875	0.1
55.05500	0.2
65.03969	0.1
67.01868	0.1
67.05497	0.4
68.99812	0.2
69.03429	0.6
69.07070	0.6
71.04976	0.1
71.08662	0.2
71.74760	0.1
72.74244	0.1
75.78436	0.1
79.05499	0.2
80.32192	0.1
81.03430	0.3
81.07063	1.2
83.08627	0.2
84.80293	0.1
85.02911	1.2
85.06577	0.2
87.00833	0.5
93.07062	0.3
95.04990	0.2
95.08628	1.1
97.02892	0.4
97.10166	0.1
98.21481	0.3
99.04449	0.2
104.85466	0.1
105.01885	0.3
105.07037	0.2
107.08636	0.3
109.02898	0.4
109.10138	0.7
111.11729	0.2
119.04968	0.2
123.00826	0.3
123.04435	0.7
123.11717	0.4
124.01564	0.2
127.03919	0.6
135.11679	0.2
137.13278	0.2
145.04918	0.2
145.10063	0.1
147.04437	0.2
149.02322	0.2
149.13260	0.2
151.03928	0.8
151.14827	0.1
152.01079	0.2
153.01871	0.7
159.02888	0.1
161.02351	1.2
161.05977	0.3
162.03136	27.0
163.03680	0.2
169.96606	0.1
179.03357	0.3
186.03130	0.3
187.03960	0.2
189.01852	1.1
200.04733	1.4
203.03371	0.2
211.03922	0.1
212.04642	0.3
216.04210	0.3
227.03539	0.3
228.04202	6.5
229.04956	0.3
230.02283	0.2
231.02971	0.3
239.03363	0.7
240.04210	2.9
240.07928	0.3
241.04918	0.7
243.06508	0.7
244.03659	0.4
256.03693	6.3
257.04501	0.2
268.03979	0.2
268.07300	0.8
269.04343	0.3
270.05234	0.2
271.06039	7.7
273.07584	0.3
275.27365	0.2
283.02502	0.2
283.05975	0.2
284.03204	4.1
285.03961	0.4
285.07513	0.4
286.04773	0.3
287.05460	0.4
293.28448	0.2
296.03177	0.5
296.06863	0.6
297.03983	3.6
297.07184	0.2
299.05527	8.2
300.06241	0.3
301.07236	0.6
301.11057	0.2
311.29443	0.2
313.03513	1.7
313.07144	1.0
314.04233	22.3
315.04666	0.3
315.08295	0.1
329.06592	100.0
329.10083	7.0
330.06897	1.3
330.10437	0.2
491.11758	0.8
577.12018	1.5
577.20636	0.2
593.69086	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	577.1344
Annotation	Robinetinidol-(2beta->7,4beta->8)-catechin
Peak:m/z	Relative Intensity
53.03946	0.2
55.01867	0.3
55.05501	0.3
57.07072	0.2
58.40967	0.2
67.05466	0.2
68.99796	0.9
69.39911	1.4
70.06583	0.3
78.60310	0.2
81.03426	0.4
84.08154	0.3
85.02898	0.6
85.06513	0.2
86.09686	0.2
90.36046	0.2
91.05511	0.4
97.02900	0.4
98.20704	0.3
102.05547	0.4
105.03477	0.2
109.02871	0.5
115.05454	0.4
119.04969	0.4
121.02870	0.8
123.04439	7.2
123.99461	0.2
127.03924	1.3
135.04378	0.2
137.02348	7.3
137.03358	0.5
139.03899	1.4
143.04967	0.3
144.06630	0.2
147.04424	1.0
149.02335	1.3
151.03883	0.6
153.01839	0.3
157.06439	0.4
161.06012	0.6
163.03938	0.6
165.01846	0.4
171.04465	0.4
173.05945	0.3
175.03964	0.7
177.01830	0.6
177.05513	0.5
179.03444	0.4
185.06000	0.8
189.05476	0.7
195.04402	0.2
199.03914	0.9
201.05534	0.3
203.03365	1.2
203.07071	0.5
205.04965	0.2
207.06592	0.3
213.05449	1.5
216.04248	0.3
221.04282	0.2
223.03804	0.3
227.03372	0.6
231.06561	1.4
235.16742	0.2
237.05617	0.3
241.04938	0.6
242.05743	0.2
245.04506	1.1
247.05922	0.4
253.04932	0.3
255.06601	0.6
259.06052	1.1
269.04395	1.0
271.05945	1.3
273.07480	0.2
281.04376	0.3
283.06006	0.6
287.05508	100.0
288.05795	1.4
295.06042	0.7
299.05539	2.8
301.87152	0.2
309.07538	0.4
311.05545	0.5
313.06940	1.1
329.06516	0.4
335.05457	0.4
337.06714	0.2
377.06348	0.3
395.81924	0.3
407.07385	0.4
419.07712	1.7
425.08688	9.4
437.08630	4.3
439.10364	0.4
559.12555	0.5
577.30133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26683	0.4
53.03941	0.6
55.01870	0.7
55.05264	0.8
55.05513	11.8
55.05780	0.6
65.03936	1.0
67.05487	0.5
69.03429	1.7
69.07080	0.4
72.08168	0.4
73.02914	0.4
73.06554	7.3
81.03417	1.6
81.07063	1.5
85.02903	3.6
87.00834	1.9
91.05489	0.9
93.07036	0.7
95.08607	0.8
97.02881	1.8
99.04476	0.6
99.08087	0.4
104.53963	0.3
105.01870	0.9
105.07007	0.4
107.08589	0.4
109.02876	1.5
109.10149	0.9
121.02884	2.2
121.10120	0.6
127.03942	2.4
129.07005	1.4
131.08574	1.1
143.04933	0.8
145.04971	0.9
149.02347	100.0
150.02747	0.6
151.27701	0.4
159.02847	0.9
161.05986	3.1
167.03491	0.8
174.12764	0.5
175.07561	10.6
203.07039	16.1
221.08110	7.2
271.06003	1.3
275.12796	9.7
293.13834	51.6
294.14362	0.8
329.06610	3.5
464.81049	0.4
486.86218	0.4
551.71112	0.5
576.28638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26683	0.4
53.03941	0.6
55.01870	0.7
55.05264	0.8
55.05513	11.8
55.05780	0.6
65.03936	1.0
67.05487	0.5
69.03429	1.7
69.07080	0.4
72.08168	0.4
73.02914	0.4
73.06554	7.3
81.03417	1.6
81.07063	1.5
85.02903	3.6
87.00834	1.9
91.05489	0.9
93.07036	0.7
95.08607	0.8
97.02881	1.8
99.04476	0.6
99.08087	0.4
104.53963	0.3
105.01870	0.9
105.07007	0.4
107.08589	0.4
109.02876	1.5
109.10149	0.9
121.02884	2.2
121.10120	0.6
127.03942	2.4
129.07005	1.4
131.08574	1.1
143.04933	0.8
145.04971	0.9
149.02347	100.0
150.02747	0.6
151.27701	0.4
159.02847	0.9
161.05986	3.1
167.03491	0.8
174.12764	0.5
175.07561	10.6
203.07039	16.1
221.08110	7.2
271.06003	1.3
275.12796	9.7
293.13834	51.6
294.14362	0.8
329.06610	3.5
464.81049	0.4
486.86218	0.4
551.71112	0.5
576.28638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
55.01868	7.6
55.05507	14.2
57.03425	6.4
57.07064	7.5
59.59098	2.0
61.02913	6.9
61.45473	2.5
67.05503	30.7
68.99786	4.2
69.03075	2.7
69.03432	40.1
69.07069	31.4
71.04977	5.9
71.58524	3.7
73.02905	6.6
73.79547	2.2
79.05489	20.7
81.03417	21.7
81.07057	100.0
83.08619	15.2
85.02908	90.3
85.03426	3.8
85.06544	29.8
86.75034	2.3
87.00832	39.5
91.05473	12.5
93.07040	35.2
95.04943	3.0
95.08607	77.7
97.02879	31.2
97.06500	3.2
97.10172	12.6
99.04452	13.2
99.08096	26.7
103.03980	2.3
105.01871	33.3
105.07044	15.1
107.08599	39.0
107.53448	2.3
109.02875	29.0
109.06516	3.8
109.09454	4.4
109.10159	62.7
111.04506	2.6
111.08072	7.6
111.11706	6.2
113.09634	6.6
113.34030	2.3
115.03938	1.9
117.01823	2.9
117.06998	3.2
119.08572	14.1
121.10150	29.5
123.11715	28.8
124.71813	2.1
125.09630	5.9
127.03922	51.5
127.11218	4.2
129.01842	4.5
131.08592	4.7
133.10155	13.3
135.08182	2.3
135.11691	23.2
137.13254	14.2
139.11136	2.9
143.08571	2.3
145.04976	22.3
145.07590	3.2
145.10115	5.5
147.02881	3.9
147.11682	10.2
149.13242	37.1
151.07449	2.0
151.14857	3.8
153.12735	4.0
159.02879	15.2
159.11678	3.5
161.13286	8.4
163.14824	29.3
167.14250	3.5
171.11716	5.1
175.14795	5.5
177.05479	2.2
177.16403	13.5
181.15919	2.4
181.19461	2.0
187.11232	4.6
189.16385	4.6
191.17915	7.6
193.19536	2.3
195.17549	2.1
203.17946	7.4
205.19516	1.9
209.18976	5.0
213.03926	2.7
217.19569	8.4
221.19077	3.6
223.20517	2.8
231.04958	9.9
235.20703	4.2
247.24278	3.3
249.06007	4.6
273.25766	16.2
291.26846	40.5
303.26810	2.5
309.27908	17.2
327.04785	2.1
327.28815	8.0
380.26996	2.5
503.29849	2.9
521.30536	2.6
575.29199	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	575.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27084	1.8
53.03944	6.5
55.01872	7.3
55.05513	14.7
57.03439	4.7
57.07073	7.9
61.02927	3.2
65.03922	2.2
67.05511	31.4
68.78487	1.8
69.03432	22.4
69.07075	40.2
69.73911	6.1
69.74325	3.8
71.04990	5.1
71.08629	2.9
73.02911	3.3
79.05496	17.5
81.03018	1.8
81.03411	10.6
81.07065	100.0
83.04965	2.8
83.08621	16.0
84.08155	2.7
85.02914	52.7
85.06065	3.1
85.06551	44.4
85.84885	2.2
87.00832	18.0
87.12141	1.7
91.05494	10.2
93.07051	35.8
95.05018	2.9
95.08614	80.9
97.02900	15.1
97.06544	6.0
97.10179	10.1
98.21471	3.4
99.04476	10.0
99.08096	32.7
105.01864	10.8
105.07051	14.1
107.08612	35.6
109.02879	15.3
109.06503	2.6
109.10165	43.8
111.08089	11.3
111.11742	7.4
113.09634	4.4
119.08628	11.3
119.09360	2.2
121.10146	39.0
123.11714	25.3
125.05949	2.4
125.09669	6.2
127.03914	28.1
127.11238	3.9
131.08598	2.8
133.10136	5.6
135.08089	2.2
135.11707	18.9
137.05986	2.4
137.13257	18.1
139.11208	6.6
143.08611	2.7
145.04947	10.0
145.10130	4.9
147.11682	4.7
149.13281	28.5
151.14871	4.1
153.12782	3.9
157.10184	2.1
159.02922	6.3
159.11719	3.6
161.09738	2.0
161.13246	4.4
162.50076	2.3
163.14810	12.7
167.14351	5.2
169.10141	2.1
175.14885	3.3
177.16391	25.7
189.16496	2.1
191.17984	5.1
195.17451	23.3
197.19060	2.3
205.19519	2.7
209.18971	2.6
213.18483	38.6
217.19528	4.6
231.04933	3.2
235.20436	2.5
253.21738	2.6
255.15085	2.1
273.25723	4.9
274.16681	2.0
279.26828	3.9
287.05469	2.4
291.26849	21.5
297.28012	5.7
309.27917	28.5
327.28922	27.2
352.08350	2.4
381.27902	2.5
395.13913	2.3
399.29028	2.4
411.14572	2.5
412.14499	2.2
413.15231	5.9
461.55228	2.1
575.20172	5.8
575.28888	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	575.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.9
55.05500	24.9
57.07073	18.0
61.02892	6.7
67.05518	34.6
69.03419	22.0
69.07076	51.9
71.04983	12.5
74.86665	6.7
74.87093	6.7
79.05492	18.0
81.03416	24.1
81.07055	100.0
81.92361	6.6
83.08614	22.2
85.02912	49.0
85.06543	10.5
87.00832	23.3
91.04005	10.1
91.05484	21.5
93.07041	40.3
95.04941	13.4
95.08622	86.5
97.02890	24.2
97.06507	7.5
97.10164	22.8
98.21529	16.6
105.01849	14.1
105.07022	21.3
107.08614	39.1
109.02884	21.9
109.10156	42.6
111.08069	19.5
111.11692	9.0
114.54134	7.1
119.08602	20.4
121.10150	36.8
123.11728	36.0
127.03910	33.1
133.06418	7.9
133.10127	20.6
135.11690	18.5
137.13290	15.1
137.98093	7.3
145.04930	11.9
145.10103	8.2
147.11696	20.5
149.13258	34.2
151.13440	6.6
159.02788	9.3
161.13280	7.4
163.14822	18.6
170.87560	7.7
177.16530	11.6
179.14212	7.5
245.79379	7.3
273.25909	35.8
291.26721	51.2
297.27991	12.0
309.27853	50.7
491.94403	7.5
525.17749	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	575.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.9
55.01857	8.6
55.05508	29.3
55.35366	2.8
57.03422	6.0
57.07071	9.8
57.53535	2.9
57.75079	2.3
58.53681	2.8
59.04998	3.5
60.92929	2.6
61.02943	7.0
67.05511	24.9
69.03429	35.4
69.06725	3.8
69.07072	53.1
70.60815	3.3
70.61156	7.9
71.04976	8.3
71.08618	7.1
73.02887	4.4
79.05495	21.3
81.03421	26.9
81.07062	87.9
83.08629	25.4
85.02419	5.4
85.02907	69.0
85.06554	20.9
85.10156	4.1
85.92677	2.9
87.00839	20.1
87.79050	2.9
89.06034	4.1
91.05498	17.2
93.07055	44.3
95.04971	7.7
95.08608	100.0
97.02902	24.7
97.06539	33.5
97.10166	14.2
99.04442	9.5
99.08076	4.3
105.01852	12.3
105.07021	20.7
105.20567	2.6
107.04970	5.9
107.08598	63.5
109.02877	25.0
109.10171	45.3
111.08078	22.2
111.11709	11.6
117.06956	3.6
119.08605	15.8
120.16933	2.6
120.47583	2.8
121.06516	3.1
121.10141	31.0
123.11716	37.4
124.45692	2.6
125.09669	7.0
125.13294	4.3
127.03905	45.6
127.11234	3.3
133.10120	11.6
135.04314	4.1
135.11697	18.4
137.05998	3.0
137.09598	3.4
137.13251	16.1
139.07576	5.1
139.11192	5.0
143.08607	2.7
145.04941	9.8
145.06526	3.2
147.11679	12.6
149.13264	55.1
151.07556	10.1
151.14853	5.3
153.12772	3.5
157.09921	4.0
159.02927	6.7
159.04323	3.1
161.13306	4.9
163.14836	17.3
167.14322	10.1
175.14873	4.6
175.32843	3.1
177.05450	4.8
177.16422	4.7
178.05836	3.4
179.07039	18.0
180.07396	6.9
187.07571	3.5
191.07051	9.8
191.17963	7.5
192.07698	13.4
193.08195	5.9
194.08434	4.2
195.17490	3.0
201.05505	5.5
203.12619	2.7
203.17908	3.7
209.18974	10.3
211.07613	4.9
217.19533	4.0
219.06566	4.3
229.08548	9.1
230.08905	7.8
231.05043	9.6
239.23730	8.2
256.14294	3.0
273.25754	7.6
279.26782	13.3
287.05365	6.7
291.26843	54.4
297.27982	13.8
309.27869	63.9
309.60675	3.4
319.13150	3.0
327.28943	27.7
395.14676	5.2
403.34415	3.2
411.14273	21.0
412.14713	29.0
413.15186	75.4
575.27863	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	575.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80960	0.8
55.05506	3.2
57.07055	1.2
59.05003	1.1
62.77689	0.8
64.81799	0.9
65.03923	2.4
67.05508	7.3
69.07078	5.2
71.04984	1.2
71.09333	2.2
71.09704	1.3
77.77850	1.0
79.05490	3.5
81.07062	9.3
83.05005	1.6
83.08644	1.6
87.04475	2.0
90.33469	1.0
91.05487	64.3
93.07056	6.4
95.04965	2.6
95.08608	5.3
103.05457	1.5
103.46132	1.1
105.03431	1.0
105.07044	12.9
107.08586	7.7
109.06525	1.9
109.10161	8.4
115.05486	1.6
117.07019	1.2
119.08592	7.0
120.35624	1.0
121.06479	2.5
121.10154	3.0
123.08094	2.2
125.09701	1.0
129.06998	1.6
131.04932	2.4
131.08574	6.4
133.10129	7.1
135.08052	2.1
135.11702	1.6
137.09608	1.5
141.06963	1.2
142.07805	2.5
143.08545	2.9
145.10132	4.4
147.11676	3.3
149.09583	1.2
149.13277	1.7
155.08575	1.3
156.09325	0.9
157.10173	4.7
159.04439	2.3
159.11696	4.0
161.05960	1.8
161.09608	3.1
161.13245	1.2
163.11156	1.3
165.06964	1.9
166.07771	3.4
169.06406	0.8
171.11768	1.4
173.13232	2.0
175.11272	1.0
175.14922	1.5
178.07832	1.5
179.08560	3.5
181.10115	3.9
189.05481	6.9
189.16327	1.2
191.08582	2.5
194.07253	2.7
195.08118	1.0
199.14856	4.4
203.07079	2.8
203.10695	0.9
203.17970	1.2
207.08002	2.0
209.09639	4.1
211.11211	1.1
217.15936	3.0
219.08125	1.6
224.08163	1.8
235.17072	1.2
237.09099	5.5
239.10695	2.4
243.10382	2.1
249.09151	1.5
267.10187	100.0
285.11261	12.4
321.14874	20.2
323.16446	50.8
339.15924	1.4
575.33728	4.1
575.41534	2.1
575.49725	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.4
57.07070	3.2
62.83398	1.9
65.03944	3.8
67.05507	31.9
69.07073	12.0
73.54140	1.8
79.05494	9.6
81.07073	20.1
83.05010	1.9
83.08640	4.6
87.04445	7.6
91.05481	67.0
93.07045	15.9
95.04967	2.3
95.08613	14.6
103.05441	4.2
105.03349	2.4
105.07036	24.4
107.08607	16.0
109.06530	3.2
109.10159	62.4
111.08126	3.5
115.05444	2.5
117.06993	4.5
119.08566	14.4
121.06525	3.2
121.10123	10.0
123.11719	3.2
125.09561	3.0
129.06967	2.3
131.08531	4.9
133.10121	10.1
135.08018	4.9
135.11667	4.3
141.06923	2.2
142.07817	2.7
143.08562	4.0
145.10124	10.6
147.08015	2.4
147.11656	8.0
151.03894	5.5
151.11116	1.9
153.09122	1.9
157.10110	5.7
159.11714	17.8
160.61046	1.7
161.09521	3.1
161.13263	4.5
163.11189	3.6
163.14838	2.4
165.06900	2.4
166.07799	3.4
173.13176	2.1
175.07497	1.8
179.08612	4.6
181.10112	3.4
183.08037	3.2
189.05437	7.2
191.08571	3.6
197.09598	3.2
199.14854	2.4
201.05441	2.8
201.16362	6.0
203.06995	4.7
203.10664	2.5
209.09660	5.4
211.07591	5.0
215.07027	4.9
215.10793	3.5
217.15822	5.4
218.18834	1.9
219.17381	3.7
235.16849	3.8
237.09102	7.3
239.10745	3.6
243.10141	12.5
253.08649	3.0
267.10181	97.6
269.11865	2.5
279.10101	3.0
285.11148	8.0
303.13812	2.7
313.10583	2.2
321.14853	100.0
323.16443	60.4
339.15811	2.2
457.19449	2.2
575.26154	2.6
575.40686	11.2
575.49603	3.5
585.09198	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	575.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.6
65.03946	0.6
67.05510	1.6
69.07058	0.8
70.15942	0.3
70.16277	1.1
79.05488	1.5
79.91238	0.2
81.07063	1.3
81.45461	0.2
83.08596	0.4
83.59559	0.2
84.11168	0.3
91.05482	3.3
91.36810	0.2
93.07050	1.3
95.04974	2.9
95.08591	0.8
98.21397	0.3
103.05466	0.4
105.07031	4.7
107.04920	0.4
107.08590	0.9
108.02106	0.6
109.06494	0.6
109.10152	0.6
115.05429	0.6
117.07030	2.3
119.08585	12.3
121.06517	0.7
121.10118	0.3
123.04414	0.6
123.11657	0.3
124.05280	0.3
128.06224	0.4
129.07004	0.6
130.07780	0.9
131.08594	1.4
133.10124	0.5
135.04413	0.4
135.11711	0.4
136.05179	0.8
137.05956	0.7
143.08517	0.6
144.09364	0.4
145.10126	10.8
147.04362	0.3
147.11699	0.3
148.05196	1.3
149.02347	0.2
149.09575	0.2
151.03909	17.2
151.07530	4.0
153.05292	0.3
153.60175	0.3
159.11700	1.7
161.05994	1.3
161.64577	0.2
162.03119	0.4
163.03909	0.8
167.03398	0.4
175.03896	0.7
177.05525	0.5
179.07048	2.6
181.04948	0.2
181.06465	0.3
185.05954	0.3
185.13292	0.3
191.03415	0.6
192.04140	0.8
199.07574	0.4
201.16440	0.7
203.07030	1.0
207.06538	5.6
207.08369	0.5
209.06068	0.4
211.07561	1.2
213.09065	1.3
216.51608	0.3
223.07515	0.3
227.07057	0.9
237.05640	0.3
238.06136	0.3
239.06981	0.8
241.05154	0.3
241.08604	1.0
251.07030	0.5
252.07684	0.5
253.08566	0.9
254.09378	1.1
255.06573	1.3
257.11707	2.7
267.06552	1.0
267.10126	1.1
268.07458	0.3
269.05197	0.5
269.08102	9.3
270.08908	1.2
271.09543	0.3
281.08102	3.2
282.08868	1.0
283.05966	2.7
284.06656	0.7
285.11227	0.5
297.07608	11.0
298.08398	5.4
313.10696	100.0
314.10986	1.7
321.14691	0.4
329.10168	1.0
339.08591	0.3
339.15778	1.2
357.09695	19.3
358.10220	0.3
373.12891	0.3
375.10913	0.3
469.12241	0.3
503.57797	0.2
533.21667	0.3
548.02856	0.3
557.25598	0.4
575.26331	6.1
576.26550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28193	0.3
53.03912	0.3
55.05501	0.7
57.07052	0.2
65.03933	0.6
67.05511	1.5
68.43124	0.2
68.99795	0.3
69.07069	0.7
69.38535	2.2
71.04990	0.3
79.05518	1.1
81.07073	1.3
83.08636	0.4
91.04968	0.3
91.05492	4.0
93.07049	1.2
95.04990	3.0
95.08592	1.1
97.06526	0.2
103.05481	0.4
105.07037	3.8
107.04943	0.4
107.08587	0.5
108.05764	0.3
109.06529	0.3
109.10158	0.9
114.92890	0.3
117.07037	2.1
119.08589	12.7
121.06514	0.7
121.10139	0.4
123.04466	0.4
123.11709	0.3
129.06990	0.5
130.07803	0.6
131.08551	1.5
133.10129	0.8
135.04427	0.4
135.11725	0.3
136.05194	0.7
137.05977	0.5
143.08574	0.7
144.09431	0.3
145.10136	9.8
147.04492	0.4
147.11696	0.4
148.05193	1.1
149.02357	0.3
149.05951	0.4
149.09540	0.2
151.03915	16.0
151.07561	3.4
157.10127	0.6
159.11726	2.1
161.05981	1.5
162.03180	0.5
163.03923	0.9
163.11162	0.2
167.62219	0.2
169.94691	0.2
175.03934	0.7
177.05455	0.7
179.07057	2.4
179.08406	0.4
181.05011	0.3
181.06502	0.3
187.03653	0.3
191.03369	0.8
192.04234	0.6
197.05980	0.3
199.07591	0.6
201.16383	0.6
203.07019	0.9
205.04988	0.3
207.06549	5.4
208.07239	0.3
209.06018	0.3
211.07565	1.0
213.09122	1.0
226.09921	0.3
227.07053	0.9
229.08623	0.3
237.05563	0.4
237.54420	0.3
239.06995	1.0
240.07722	0.3
241.08614	1.0
242.09352	0.4
243.10107	0.4
251.07024	0.5
252.07776	0.6
253.08633	0.8
254.09369	0.9
255.06470	1.1
257.11746	2.6
265.04871	0.4
267.06549	0.8
267.10205	0.8
269.08105	8.9
270.08926	1.0
281.08066	3.0
282.08862	1.0
283.06046	2.7
284.06793	0.6
285.07639	0.3
297.07611	9.7
298.08389	5.7
313.10709	100.0
314.11014	0.6
329.10291	1.2
339.15997	0.5
357.09720	20.6
373.13016	0.6
375.10614	0.3
457.46967	0.2
525.35486	0.3
543.36505	0.7
575.26453	7.4
575.34711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2126
Annotation	Dalpanol O-glucoside
Peak:m/z	Relative Intensity
53.03948	1.3
53.65622	0.5
55.01860	0.7
55.05507	0.6
57.03427	1.6
57.14254	0.6
61.02925	1.8
67.05508	0.8
69.03130	0.5
69.03440	5.8
69.07072	1.8
69.21492	5.8
71.05016	0.7
73.02926	0.9
79.05495	1.5
81.03436	2.6
81.07062	2.6
83.08649	0.6
85.02913	13.5
87.00840	0.6
87.04484	0.9
91.03986	0.6
91.05499	1.3
93.07050	1.2
94.04193	0.7
95.04959	1.0
95.08620	1.6
96.05749	0.5
97.02889	4.7
99.04482	1.5
103.05474	0.6
105.07044	1.8
107.04970	1.2
107.08611	0.8
108.05732	1.4
109.02871	1.6
109.06565	0.7
109.10156	1.0
115.05433	0.6
119.04943	0.9
119.08576	0.7
121.06525	2.7
123.11686	0.5
124.05228	1.9
125.09602	0.6
127.03941	3.1
131.04916	0.8
131.08578	0.6
133.02843	1.8
133.06485	1.6
135.04411	4.2
135.08020	0.7
136.05188	2.0
137.02400	1.0
137.06018	1.2
139.07550	10.2
145.04968	1.3
147.04384	2.4
147.08047	1.3
148.05194	2.4
149.02345	4.8
149.05994	1.3
149.13144	0.6
151.03854	0.7
151.07549	14.8
153.05432	0.8
155.06993	0.6
159.03152	0.9
159.04430	6.1
161.02364	2.7
161.05972	2.9
161.09607	0.6
162.06761	1.4
163.03926	3.7
163.07555	0.7
165.05493	1.9
165.09093	1.3
167.03404	2.3
167.07053	7.2
171.04434	7.8
173.06018	1.1
175.07573	1.7
176.04756	0.8
177.05484	12.0
177.07034	0.7
178.06261	11.4
179.07053	29.4
180.07387	0.5
181.04999	1.1
185.09711	0.6
187.03905	2.2
189.09166	2.9
191.07042	19.0
192.07822	36.8
193.08553	3.7
195.06538	0.8
195.07993	2.7
198.06825	2.2
198.55135	0.5
199.03891	0.6
203.07042	8.8
207.10176	2.0
213.09120	17.3
219.06532	1.1
220.07312	1.7
221.08113	4.3
231.10162	11.4
241.08636	2.6
259.09662	2.3
264.95068	0.5
265.25232	0.7
281.88919	0.5
309.27927	1.1
311.09567	0.5
313.10812	0.9
325.10837	0.8
327.29062	1.0
335.09247	0.6
338.07886	1.2
341.10458	0.7
353.10217	5.1
367.15393	1.3
377.13794	0.7
385.16391	2.6
395.14926	22.8
413.15976	100.0
414.16440	2.3
455.16931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69186	0.7
53.03927	0.8
55.01868	1.5
55.05515	1.1
56.05031	2.4
57.03433	1.1
58.06602	1.3
67.05504	2.1
69.03437	2.7
69.07063	1.7
70.06594	3.8
71.04982	0.9
71.57613	1.6
72.08159	100.0
73.02915	0.8
79.05492	4.2
80.91782	0.8
81.03435	1.6
81.07070	2.6
82.06586	1.3
83.04988	1.0
84.08148	3.4
85.02911	7.5
85.08945	1.2
86.09709	1.8
87.00847	1.0
87.04488	0.9
91.05499	2.4
93.07036	3.5
95.04967	9.3
95.08636	2.3
96.05333	1.2
96.08138	1.4
97.02914	2.8
97.06557	1.5
99.04479	0.8
100.07621	0.8
105.01929	1.0
105.07037	4.2
107.04971	2.0
107.08601	3.9
108.08115	1.6
109.02911	2.3
109.06543	2.9
109.10155	6.8
110.09714	1.9
114.65246	0.9
116.10715	5.0
119.08601	2.7
121.06525	2.1
121.10180	1.6
122.09711	1.5
123.04466	1.3
123.08073	0.7
124.11272	1.4
125.06033	1.0
127.03953	1.7
128.10742	0.8
129.12770	1.5
131.08609	1.2
133.06543	1.8
133.10120	5.7
135.08109	2.3
135.11734	1.1
136.28224	0.7
137.05991	1.0
142.08636	7.1
143.08943	2.7
145.04996	0.8
145.06555	0.9
145.10193	0.9
147.11717	1.6
149.06001	1.0
151.07564	0.8
154.08670	1.0
157.10263	0.9
161.05992	4.8
163.07602	2.3
165.05544	1.5
165.12889	0.9
168.10292	2.1
174.11247	0.8
175.07474	0.8
175.11295	0.9
177.05502	1.0
178.54404	0.7
179.07057	4.1
191.07155	1.1
192.10208	17.0
195.11737	0.9
197.09753	0.9
206.11778	11.0
215.10785	1.8
243.10332	1.3
245.08229	0.8
253.15990	0.9
261.11237	0.8
271.17062	1.1
281.15479	0.9
299.16638	3.4
317.17569	4.0
318.24554	1.0
335.18698	2.2
344.22137	4.3
362.23294	9.0
380.24286	3.9
412.27258	2.1
524.28644	5.1
542.29669	29.2
556.31903	1.7
574.25647	3.9
574.32471	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	573.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.0
54.90891	1.3
55.01875	7.6
55.05258	1.7
55.05508	19.6
57.03447	7.1
57.07072	6.2
59.04985	5.0
61.02922	6.2
62.14550	1.3
65.03922	1.4
67.05505	22.9
68.99784	3.9
69.03072	2.0
69.03432	33.5
69.07071	100.0
70.06591	1.6
71.04977	4.1
71.08609	2.3
73.02904	5.5
79.05496	23.0
81.02982	1.6
81.03427	32.3
81.07063	92.2
83.01315	1.4
83.04988	10.5
83.08622	10.6
85.02911	63.7
85.06547	17.8
87.00842	22.4
91.03963	1.4
91.05476	12.5
93.07048	41.2
95.04987	14.6
95.08612	60.0
97.02906	24.2
97.06536	8.6
97.10186	8.3
99.04470	12.0
99.08086	14.3
105.01867	14.6
105.07048	21.6
106.22514	1.2
107.08595	41.0
109.02888	27.7
109.06506	5.2
109.09459	2.1
109.10165	35.9
111.04468	1.9
111.08110	6.4
111.11723	30.1
111.47366	1.4
113.09627	1.9
115.03941	2.0
115.05476	2.0
117.01853	2.2
117.06994	2.7
119.08599	21.6
121.06512	2.1
121.10142	32.6
123.08042	3.3
123.11707	23.6
125.09615	3.6
127.03929	40.8
127.11159	2.7
129.01854	3.1
129.12735	2.6
131.08586	8.0
133.10152	13.9
135.07985	1.5
135.11703	50.6
137.09637	2.5
137.13255	8.9
139.10213	2.4
139.11189	26.0
143.08554	2.3
145.04988	10.3
145.10112	9.6
145.29227	1.2
147.02908	2.4
147.11702	15.2
149.13261	14.2
151.07513	2.2
151.11163	1.9
151.14796	3.6
153.12762	39.9
157.10107	1.7
157.12222	3.2
159.02890	9.1
159.11716	17.4
161.09718	1.6
161.13243	8.8
163.14842	6.3
165.12746	4.9
167.14381	2.1
169.17848	1.2
173.04501	2.3
173.13260	5.4
175.14842	5.6
177.12689	1.4
177.16417	12.8
185.15381	1.4
187.14818	5.8
189.16428	3.4
190.25966	1.4
191.06944	1.6
191.17891	3.3
195.17465	9.3
201.16380	2.6
207.17381	1.9
209.19089	1.9
213.03899	1.5
213.16747	1.7
213.18538	10.1
215.17938	3.1
225.12674	1.6
227.20079	4.0
231.05000	5.3
239.20120	5.4
259.24161	2.7
263.23718	1.8
271.24200	4.7
277.25366	6.9
279.06607	3.7
289.25266	27.6
293.08200	1.5
295.26349	22.3
307.06052	3.1
307.23010	2.8
307.26349	39.6
307.29901	1.9
321.04068	1.8
325.27377	24.6
333.11029	1.6
347.09116	1.4
350.07581	7.4
351.08435	4.0
351.12170	2.1
379.11475	2.1
380.12027	2.4
393.13416	13.1
409.12537	2.8
410.12869	3.8
411.14191	32.6
573.19073	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	573.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.6
54.14567	4.8
55.01871	7.1
55.05504	21.7
55.15530	4.6
55.87104	4.0
57.03429	9.8
57.07071	7.8
60.52945	6.1
61.02936	6.7
65.72256	4.3
67.05505	39.7
67.43587	4.4
68.35135	4.8
69.03429	38.5
69.07074	43.6
69.84388	21.4
71.04981	7.1
73.02930	8.9
73.29156	5.7
74.39294	5.8
77.03902	4.5
79.05491	19.6
81.03436	22.7
81.07063	91.8
83.04994	7.0
83.08623	9.6
85.02911	72.0
85.06548	30.9
87.00823	35.1
91.05492	20.3
93.07046	44.0
93.52509	5.0
95.04967	18.6
95.08608	100.0
97.02903	29.5
97.10176	12.7
98.20710	7.1
99.04487	11.9
99.08101	17.2
105.01865	15.0
105.07021	30.4
107.08596	49.9
109.02884	20.7
109.06485	5.3
109.10164	51.1
111.11742	7.5
113.09646	9.5
117.07047	4.7
119.08587	26.6
119.68627	4.5
121.06503	4.3
121.10109	41.3
123.11768	26.3
125.09631	6.5
127.03904	34.7
127.11131	7.7
131.08580	16.1
133.10123	21.6
135.11691	34.7
137.09634	9.9
137.13263	8.9
145.04977	10.2
145.10109	12.4
147.11700	21.2
149.05927	4.3
149.13268	26.7
155.31302	5.2
157.10081	5.9
159.02917	7.4
159.11742	11.7
161.13263	21.3
163.14790	14.1
165.12730	8.5
173.13269	8.9
175.14854	7.7
177.16364	9.8
179.14417	5.7
179.17996	5.6
187.14783	5.0
189.16460	7.5
191.18024	5.6
197.19276	5.5
201.16405	6.7
215.18044	7.4
217.19159	5.3
219.06456	4.6
271.24286	23.0
277.25293	12.4
289.25290	48.8
295.26221	8.4
307.19293	4.8
307.26346	47.8
311.09149	9.0
315.85196	5.0
325.27499	39.3
333.11353	5.4
350.07916	12.8
365.13919	6.2
383.14764	6.7
393.13269	27.3
409.12869	5.9
411.14160	51.9
545.19769	10.0
573.25891	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	573.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05506	10.3
56.68149	2.7
57.03432	2.6
57.07061	6.8
67.05515	16.2
67.85162	2.6
69.07075	31.4
71.08627	2.7
79.05500	13.7
81.03405	5.1
81.06718	2.3
81.07068	24.3
83.04984	2.6
83.08609	5.9
91.05473	11.3
93.07066	20.3
95.04940	4.0
95.08611	20.0
97.06526	5.8
97.10143	4.0
98.20851	9.0
98.21529	5.8
105.07044	16.1
107.08616	14.2
109.06506	7.2
109.10152	16.5
117.07028	4.2
118.83123	2.5
119.08585	14.8
121.06523	4.5
121.10138	8.7
123.08030	2.9
123.11707	3.4
125.05960	3.1
129.07030	4.4
131.08578	7.9
133.10127	8.1
135.11699	6.7
137.06020	5.3
139.07506	2.5
143.08553	8.4
145.06544	5.4
145.10123	9.4
147.08081	7.8
149.02267	2.5
149.13239	4.8
151.03906	2.8
155.08554	5.4
157.10129	8.9
159.08066	6.6
159.11772	3.0
161.02353	8.3
161.05951	4.5
161.09698	4.2
161.13312	4.2
167.07071	18.9
169.10121	4.9
171.08153	3.8
171.11658	3.7
173.09621	4.2
175.07568	4.0
179.08662	3.1
181.10149	4.7
182.07217	3.0
183.08110	2.6
183.11694	2.8
185.05977	5.2
185.09612	3.6
186.88701	3.2
187.03830	4.2
187.11172	2.5
189.09090	3.3
189.16379	3.3
195.08081	3.7
197.09641	3.8
197.13203	3.3
199.07581	6.1
201.09114	3.7
201.12820	2.6
203.07053	100.0
213.12756	3.7
235.07698	2.7
237.12816	3.0
239.17964	4.9
241.08609	7.9
243.10199	28.0
255.13942	2.6
257.08029	3.4
269.08118	22.1
271.09830	2.5
271.20554	7.1
281.07962	3.1
281.18979	3.1
287.09195	3.9
321.22211	5.9
339.12222	4.1
339.23178	10.3
351.12292	15.6
353.24942	5.8
356.56354	2.5
369.13351	52.0
371.25833	16.9
413.17477	3.0
473.27124	2.8
523.28589	24.6
541.29504	8.3
549.88068	2.6
555.24353	3.4
555.31165	36.4
573.31976	8.9
573.48529	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	573.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.05503	4.5
57.03438	1.6
57.07076	4.2
59.04992	6.0
62.19875	1.4
65.38786	1.6
67.05509	9.5
68.52653	1.3
69.07069	13.6
73.98760	1.4
79.05489	4.7
81.03400	4.9
81.07066	12.4
83.05040	1.5
83.08600	4.1
85.10146	1.4
91.05466	11.0
92.17204	1.5
93.07052	9.7
95.04958	4.8
95.08608	9.6
98.21096	9.3
105.07052	12.2
107.04951	2.7
107.08611	9.3
107.10321	1.8
108.80302	1.5
109.06526	3.8
109.10146	6.7
112.83244	1.5
117.07002	2.8
119.08594	10.7
119.31989	1.6
121.10116	6.0
123.11664	2.9
125.05997	1.9
128.06190	1.9
129.07047	2.6
131.08574	4.1
133.10129	4.2
135.04482	1.8
135.08011	2.1
135.11720	2.0
143.08553	3.2
145.06467	3.8
145.10106	6.5
147.04379	3.0
147.08069	6.9
147.11670	4.5
151.07437	1.8
155.08562	3.8
157.10144	4.2
159.08072	2.9
159.11668	2.4
161.02335	7.2
161.05972	4.2
166.07819	1.9
167.03349	2.5
167.07042	4.9
169.10129	3.9
171.11719	2.3
173.06024	2.1
173.09607	5.4
173.13310	2.0
174.06702	1.6
175.07475	2.6
179.08487	1.9
183.11665	2.1
185.05989	2.4
185.09613	1.8
187.11214	2.6
189.05434	2.4
189.09261	1.7
197.13306	2.8
199.11131	2.1
201.09082	2.5
201.12697	1.6
203.07031	100.0
213.12683	2.0
215.10715	2.9
218.85844	1.4
225.09416	1.6
239.10860	2.0
243.10196	42.7
255.10141	1.7
261.22073	2.1
269.08047	4.0
271.20474	2.6
297.11111	2.6
339.11963	2.0
339.23462	3.7
351.12366	2.0
353.24707	2.2
365.20764	1.7
369.13226	8.0
371.25885	4.2
435.17941	4.6
473.26874	2.8
513.29498	2.6
523.28479	2.8
541.29401	5.1
555.30743	4.7
573.32141	14.6
573.48645	10.7
578.94678	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1974
Annotation	Dehydrodalpanol O-glucoside
Peak:m/z	Relative Intensity
51.63568	0.7
52.30685	0.6
53.03952	1.6
55.01875	1.2
55.05510	0.7
57.03437	1.6
60.51817	0.6
61.02922	1.8
62.67810	0.7
63.36593	0.6
67.05517	0.9
68.99802	0.6
69.03444	6.5
69.07077	0.7
69.60484	4.6
71.04994	0.9
73.02925	1.5
79.05509	4.4
81.03414	3.5
81.07053	2.7
85.02911	13.9
85.11821	0.8
87.04482	1.5
91.05487	2.1
93.07025	1.9
95.04948	0.7
95.08604	1.2
97.02916	5.2
97.61040	0.7
98.21492	0.8
99.04471	0.8
105.03435	1.1
105.07026	1.6
107.04956	7.3
108.05769	1.2
109.02874	1.6
109.06505	1.7
115.05444	1.5
117.07035	1.4
121.06528	2.6
123.11742	0.9
124.05225	2.1
127.03911	3.9
131.08626	1.3
131.76935	0.7
133.02753	0.7
133.06529	1.2
135.04414	3.6
136.05212	1.5
139.07527	8.5
141.07053	1.5
143.86812	0.6
145.04973	2.3
145.06505	2.1
148.05200	2.2
148.99384	0.6
149.02354	2.0
149.06047	1.1
149.75688	0.7
151.07556	11.6
152.67944	0.7
155.07072	1.1
159.04407	5.1
159.08076	2.1
161.06001	2.5
162.06755	1.8
163.03848	1.0
165.09090	0.7
167.03458	1.1
167.07076	5.0
169.06532	2.3
173.05988	3.0
176.04713	0.9
177.05479	4.4
178.06316	1.1
179.07039	18.6
179.08533	1.3
181.04982	0.8
183.08070	1.9
187.03969	1.7
187.07503	5.6
191.07047	14.5
192.07808	20.4
193.08546	2.1
198.06799	1.3
199.07632	1.1
201.05482	8.6
201.09146	2.1
205.08681	2.1
211.07565	7.5
215.07135	2.1
219.06534	5.3
227.07079	1.3
229.08607	13.1
257.08038	2.1
365.14081	1.9
383.14719	0.9
393.13254	1.6
411.14417	100.0
412.14828	1.9
471.98621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1973
Annotation	Dehydrodalpanol O-glucoside
Peak:m/z	Relative Intensity
53.03904	0.7
56.11736	0.5
56.62105	0.5
57.03387	1.7
59.04955	1.4
61.02870	2.1
67.05478	1.0
67.26131	0.5
69.03434	6.8
69.07021	1.0
70.76544	1.2
71.04938	0.9
73.02864	1.3
79.05470	0.7
81.03363	2.1
81.06987	1.9
83.04939	0.7
85.02912	10.3
87.04408	1.7
91.05427	0.9
93.07000	0.8
95.08549	1.3
97.02908	4.8
99.04420	0.7
101.02348	1.0
105.06992	0.8
107.08530	0.9
107.22208	0.6
109.02815	2.0
109.10114	0.7
114.45219	0.5
119.08537	0.7
121.06515	0.7
121.10146	0.5
127.03922	2.6
131.08502	0.6
145.04897	0.8
147.04337	2.2
153.60832	0.6
173.79245	0.5
177.05521	0.7
185.05960	0.6
185.41939	0.6
191.07077	3.4
193.16000	0.9
203.06921	0.8
207.07906	0.8
225.05374	0.6
234.84479	0.5
236.04645	1.0
237.05420	1.5
239.03471	1.1
248.04767	0.6
249.05386	0.9
251.03391	1.1
251.06996	2.2
257.08118	0.9
261.05438	2.4
263.06970	1.9
264.04175	7.3
265.04886	2.3
266.05753	0.7
275.06894	0.9
276.04184	3.1
277.04828	1.6
279.06552	14.7
280.07187	1.6
281.07977	0.8
285.07501	0.5
287.03409	0.6
289.04922	1.5
290.09244	0.6
291.06577	7.7
292.07300	0.7
293.04422	4.0
293.08066	3.7
295.06189	0.6
295.71558	0.6
303.02863	3.9
303.06525	4.2
304.03601	0.6
305.04486	3.4
306.05219	0.8
307.06030	12.7
308.06674	4.6
309.04025	1.3
309.07568	1.5
309.14664	1.2
310.08383	0.7
311.09207	3.4
315.10355	0.7
318.08829	4.9
319.05997	5.1
319.09750	2.5
320.06812	5.2
321.03979	2.1
321.07559	4.0
322.08273	0.9
323.09131	1.3
324.06253	1.2
329.08044	0.9
331.06006	1.0
333.11234	10.9
334.11813	0.8
335.05438	5.6
335.09167	1.8
335.12671	0.8
336.06180	4.5
336.09988	2.0
337.06934	1.1
339.08707	6.2
346.08365	1.4
347.09180	8.3
349.06961	0.9
350.07867	27.7
351.08569	11.7
351.12357	8.3
361.10770	6.6
362.11545	5.5
363.08734	1.6
365.10315	2.6
365.14026	2.9
378.10944	1.7
379.11786	7.5
380.12555	7.2
381.09442	1.2
393.13345	46.7
396.12161	1.9
411.14410	100.0
412.14737	2.2
453.15567	1.4
513.18140	0.8
541.17017	0.6
573.19714	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	573.197
Annotation	Dehydrodalpanol O-glucoside
Peak:m/z	Relative Intensity
53.03901	0.8
55.01821	0.5
55.05458	0.4
57.03366	1.3
59.04937	1.6
59.05223	0.7
61.02851	1.6
61.03115	0.4
62.08261	0.4
62.12872	0.4
67.05441	1.2
69.03358	5.2
69.07061	2.0
69.32782	4.0
71.04951	0.9
73.02850	1.6
79.05423	1.2
81.03424	2.7
81.06966	2.2
85.02904	9.5
87.00774	0.7
87.04379	1.2
91.05453	0.4
93.06973	1.5
95.08613	2.0
97.02910	3.6
99.04368	1.4
101.02332	0.6
105.06950	1.3
107.08518	0.9
109.02801	1.6
109.10074	1.6
111.08009	0.7
119.08543	0.9
121.10104	0.6
123.11651	1.0
127.03943	2.9
135.11592	0.9
136.40399	0.4
139.11037	0.5
145.04895	0.9
147.04314	1.2
147.11665	0.5
149.02235	0.9
149.13144	0.6
153.12627	0.6
161.13167	0.7
176.04626	0.7
185.05893	0.6
187.03780	0.6
190.01308	0.4
191.07018	3.0
195.08095	0.5
209.06046	0.5
234.06897	0.4
235.07489	0.5
236.04640	1.0
237.05447	1.4
239.03380	0.9
247.04013	0.5
248.04559	0.6
249.05524	0.8
251.03328	1.5
251.07048	1.8
252.07793	0.5
257.07999	0.7
261.05460	2.6
263.07007	1.1
264.04178	6.0
264.07135	0.7
265.04883	1.6
266.05914	0.4
275.03326	1.0
275.06833	1.1
276.04205	4.3
276.07111	0.7
277.05048	0.9
279.06543	12.1
279.09729	0.6
280.07217	1.9
281.04587	0.5
287.07193	0.5
289.05054	1.1
290.05750	0.6
291.06607	8.3
291.09814	1.0
292.03857	0.6
292.07098	0.5
293.04413	3.6
293.08060	3.9
301.08569	0.6
303.02823	3.8
303.06442	3.7
303.09854	0.8
304.03537	0.6
305.04376	3.1
305.07715	0.9
305.11423	0.6
306.05334	0.8
307.05991	12.0
307.09525	1.0
307.26169	1.1
308.06781	5.1
309.04025	1.1
309.07635	1.1
309.14740	1.1
310.08160	1.0
311.09131	4.5
315.10028	0.5
317.08105	0.6
317.11658	1.1
318.08841	4.6
319.05963	4.8
319.09656	2.2
320.06842	4.7
321.03818	2.1
321.07556	3.7
322.08395	0.6
323.05457	0.6
323.09052	1.3
324.06213	1.5
325.27496	0.7
329.08026	0.8
333.11237	11.0
335.05478	6.1
335.09082	1.2
336.06210	5.8
336.09949	1.7
337.06912	0.8
337.10660	0.5
339.08694	5.4
346.08200	1.3
347.09119	6.7
349.07059	1.5
350.07858	26.2
351.08505	9.9
351.12323	9.6
361.10699	6.8
362.11508	5.6
363.08618	2.1
363.12714	0.6
364.09210	1.0
365.10049	2.8
365.13699	2.0
373.21045	0.5
378.10956	1.9
379.07217	0.8
379.11731	7.7
380.12531	8.3
381.09683	0.9
383.14856	1.0
393.13327	44.4
394.13751	1.2
396.12103	2.3
411.14374	100.0
412.14639	1.5
453.15417	1.0
541.17792	0.5
573.19708	21.7
574.19403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1967
Annotation	Amorphigenin O-glucoside
Peak:m/z	Relative Intensity
51.02370	0.3
53.03958	1.3
55.01863	0.9
55.05505	0.5
57.03432	2.0
57.35404	0.2
59.04985	0.2
61.02922	2.2
65.03943	0.4
67.05495	0.9
69.03073	0.4
69.03433	6.9
69.07070	0.9
69.67635	1.0
69.68053	0.5
71.01345	0.3
71.04988	0.7
73.02921	1.1
77.03899	0.3
79.05489	4.1
81.03422	2.8
81.07066	1.1
83.04971	0.4
83.08607	0.3
85.02906	16.1
85.06562	0.5
87.00819	0.3
87.04458	1.0
91.03931	0.6
91.05476	2.2
93.07038	1.0
94.04171	0.7
95.01318	0.5
95.04961	1.0
95.08616	1.3
96.05759	0.4
97.02892	4.9
99.04447	1.4
101.02385	0.3
103.05479	0.7
105.01871	0.3
105.03390	0.6
105.07042	1.2
107.04955	9.3
107.08566	0.7
108.05727	1.2
108.62421	0.2
109.02879	3.0
109.06509	1.0
109.10148	1.1
109.24184	0.2
111.08082	0.5
111.11696	0.3
115.05438	1.5
115.89127	0.2
117.07035	1.6
118.04128	0.3
119.04916	0.5
119.08570	0.5
121.02825	0.4
121.06508	1.7
122.03657	0.3
123.04442	0.6
123.11687	0.5
124.05212	3.2
125.06020	0.4
125.09685	0.3
127.03917	3.5
128.06268	0.3
129.07008	0.7
131.04901	0.5
131.08575	1.6
133.02841	0.6
133.06491	1.6
133.10193	0.4
135.04427	2.7
135.11723	0.5
136.05203	1.7
137.06001	0.4
139.07539	8.0
139.11194	0.3
141.06981	1.3
143.08636	0.3
144.05682	0.6
145.02864	0.2
145.05000	1.4
145.06468	2.0
145.10118	0.4
147.04457	1.3
147.11617	0.4
148.05200	1.9
149.02327	2.1
149.05968	0.8
149.13264	0.5
150.06746	0.4
151.07545	10.8
152.04713	0.3
153.05580	0.4
153.06999	1.0
154.07739	0.4
155.04959	0.3
155.07034	1.0
155.08551	1.4
157.06474	0.4
159.04417	5.1
159.08070	1.9
161.02380	0.2
161.05994	2.1
162.06764	2.0
163.03905	0.9
163.07477	0.3
164.04768	0.3
165.05484	0.5
165.06865	0.9
165.09048	1.3
167.03418	1.4
167.07037	5.5
168.05719	0.5
169.06450	2.1
170.07285	0.8
171.04417	0.3
171.07999	0.6
173.05978	3.8
175.03943	0.5
175.07503	0.2
176.04703	0.9
177.05470	4.7
178.06299	1.2
179.07036	21.4
179.14206	0.2
180.07326	0.3
181.04964	1.0
181.06448	0.3
183.08031	1.8
185.06018	0.4
187.03989	1.2
187.07553	6.0
189.05536	0.4
191.05612	0.3
191.07024	14.0
192.07811	17.3
193.08600	3.0
195.08104	0.6
197.05991	0.4
198.06787	1.8
199.07530	1.0
201.05470	8.4
201.09096	1.3
205.08609	2.4
211.07547	8.0
212.08281	0.5
215.06993	2.0
217.00369	0.2
219.06526	5.8
220.07268	0.8
227.06955	1.4
229.08597	13.9
237.07585	0.3
239.07086	0.9
257.08118	2.2
283.10501	0.3
286.05411	0.2
289.25305	0.5
307.26221	0.4
313.10648	0.5
316.10907	0.3
325.27411	0.4
341.10178	0.8
347.12759	0.5
348.13565	0.3
349.10660	0.4
365.13913	1.2
374.14526	0.2
383.14923	1.0
393.13251	1.5
411.14377	100.0
412.14734	2.4
453.15533	0.4
573.32166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.0
53.04154	0.4
55.01886	2.0
57.03447	2.3
61.02924	0.7
61.22515	0.6
69.03082	0.8
69.03432	11.1
69.65398	3.0
70.06551	0.8
71.01344	0.7
71.04999	4.4
72.08136	0.7
73.02918	0.8
81.03420	17.4
81.07052	0.6
85.02896	1.2
86.09697	0.5
87.00844	0.5
91.05476	0.7
97.02879	0.6
99.04456	6.4
105.06966	0.5
109.02863	1.2
116.04926	0.4
117.05487	1.6
118.06538	2.9
124.07612	1.4
127.03844	0.5
136.07591	0.6
142.08644	1.0
145.07613	4.9
147.08093	0.6
147.09172	6.3
152.07086	0.5
160.10226	0.4
162.07924	0.9
163.08682	0.7
164.07085	0.6
173.07104	9.6
175.08662	7.0
191.08157	100.0
192.08540	1.3
203.08215	0.5
215.12036	0.5
233.09172	1.6
243.11255	0.8
289.11771	1.5
307.09241	0.9
307.12878	26.3
325.13950	84.0
326.14325	1.4
376.20029	0.5
573.23877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.9437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25177	0.4
56.96564	4.9
70.72307	0.5
70.72631	0.8
71.04008	0.4
71.95261	1.1
74.65158	0.4
98.97590	82.3
114.27560	0.5
116.98631	34.8
134.99669	6.1
140.00194	0.7
152.00131	0.4
152.31491	0.4
153.00693	0.7
172.94383	4.1
190.95390	3.9
190.96881	0.5
197.95229	0.7
214.95363	4.4
232.96486	6.6
246.91280	0.7
250.97458	2.0
256.96442	22.6
274.97525	100.0
275.98007	1.0
288.92212	0.7
292.98581	43.7
293.99042	0.6
297.99136	1.8
307.00104	0.5
338.89163	0.4
349.29626	0.4
362.88947	0.7
414.95389	35.9
432.96484	36.1
433.96713	0.4
446.91226	0.7
450.97687	3.5
455.98135	1.1
488.92270	1.3
530.93323	1.8
572.94366	13.9
573.03491	0.8
590.95392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03730	1.3
53.03947	10.1
55.01879	2.4
55.05516	23.9
55.25617	1.6
57.03437	8.9
57.07072	4.1
61.87697	1.4
65.03938	4.6
67.05509	64.2
69.03415	2.2
69.07076	26.4
71.04986	5.4
71.55927	2.1
73.06561	2.2
77.03922	2.0
79.05499	82.0
81.03417	2.7
81.07064	79.9
83.04994	3.8
83.08631	13.6
85.06529	4.1
91.05488	81.3
93.07051	97.1
95.04943	7.8
95.08615	64.2
97.06511	7.7
97.10170	6.4
99.08091	3.1
103.05424	1.9
105.04566	2.4
105.07036	43.1
107.05005	3.1
107.07856	2.9
107.08604	62.1
109.06520	4.4
109.10160	20.6
111.08083	3.5
115.05446	1.9
117.07025	15.8
119.07802	2.1
119.08596	31.3
121.06518	16.5
121.10149	50.5
123.04436	1.8
123.08068	3.6
123.11732	6.8
125.09654	3.7
128.06213	1.9
129.07014	7.1
131.08578	20.4
133.10139	26.0
133.67813	1.8
135.10681	2.5
135.11707	42.4
137.05971	2.1
142.07834	1.8
143.08607	7.4
145.10141	16.0
147.11710	18.4
149.05986	6.1
149.09622	3.2
149.13260	24.0
151.03938	3.2
151.11191	2.4
156.53784	1.4
157.10182	4.2
159.11664	12.7
161.13229	8.7
163.11163	4.6
163.14848	5.2
165.12833	2.0
169.10008	2.0
171.11703	6.3
172.65128	1.5
173.13292	9.3
175.14821	6.1
177.05479	74.2
177.12761	3.2
179.14235	1.7
181.12239	2.5
183.11699	1.9
185.13258	5.8
187.14815	6.8
191.14319	1.9
193.04977	20.9
195.13779	4.3
199.14850	5.1
201.16389	1.6
203.07138	1.5
205.04979	100.0
205.15849	3.8
206.05592	3.9
207.13844	2.7
213.16423	4.9
216.57465	1.7
221.15421	4.6
227.10692	17.9
235.17039	3.8
239.10652	5.2
241.19521	3.7
259.20621	10.6
265.35318	1.5
277.21661	62.1
293.51965	1.4
333.17596	2.9
335.05289	4.3
350.07657	5.9
367.22552	2.2
431.14975	39.0
432.14917	1.7
447.14404	2.5
553.25958	8.3
553.42700	5.9
571.18530	2.5
571.27838	12.3
571.35248	3.4
571.43402	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	571.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01888	0.5
55.05510	2.2
56.96559	0.6
57.03443	0.6
59.04998	0.6
65.03930	0.8
67.05512	3.8
69.07072	2.4
71.37745	0.8
75.22946	0.4
78.17361	0.4
78.24346	0.3
79.05503	5.2
81.03410	0.5
81.07063	4.6
83.04948	0.6
83.08634	1.1
86.63309	0.4
91.05488	26.4
93.07047	6.6
95.04978	1.8
95.08619	4.2
97.06503	0.6
97.10158	0.8
103.05409	0.5
105.07030	4.4
105.22429	0.4
107.04964	2.8
107.08611	3.4
109.02901	0.7
109.06562	0.6
109.10163	1.5
117.07029	1.3
119.08590	2.1
121.06515	14.6
121.10126	2.8
123.04458	2.1
123.11665	0.7
125.09603	0.5
129.06996	0.6
131.08560	1.7
133.06425	0.4
133.10133	1.3
134.03664	0.5
135.04419	0.7
135.11656	2.2
137.05988	1.9
141.05460	0.4
141.06947	0.5
143.08630	0.8
145.10118	0.9
147.11705	0.9
149.05983	5.6
149.13281	0.9
151.03922	1.4
154.07825	0.4
157.10191	0.5
159.11731	1.0
160.23843	0.5
161.06042	0.5
161.09613	0.5
162.03188	0.5
177.05479	69.1
178.05937	0.8
178.07730	0.5
183.48825	0.4
185.13213	0.4
193.04988	23.9
193.10028	0.5
203.07039	0.6
205.04974	100.0
206.05556	1.3
227.10669	16.7
233.89011	0.4
239.10680	4.2
241.19533	0.5
259.20511	0.6
277.21686	2.3
291.19400	0.9
333.17416	0.8
349.21698	1.5
350.07745	0.7
351.08325	0.5
367.22809	1.1
413.13879	0.8
428.86334	0.5
431.14941	41.4
432.15121	0.8
442.33371	0.4
447.14215	3.7
553.25977	9.2
571.27448	12.0
571.35687	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01884	0.4
57.03432	1.0
61.02933	1.8
67.05493	0.5
69.03139	0.4
69.03437	4.7
69.07055	0.4
71.04990	0.5
73.02916	1.4
79.05479	0.4
81.03422	2.2
85.02913	9.3
87.04467	0.7
93.07027	0.4
97.02903	3.5
99.04459	0.8
109.02888	1.2
121.10084	0.5
127.03923	2.2
127.23483	0.4
131.55379	0.3
137.06020	0.3
145.04962	0.9
147.04422	0.7
149.05984	0.6
159.04411	0.6
161.05963	0.4
167.03363	0.4
181.05026	0.7
184.05244	0.9
185.05965	0.6
187.03935	1.3
189.05493	0.6
191.07045	2.1
205.04953	0.8
206.30626	0.3
211.07568	0.5
231.07950	0.4
244.08865	0.4
245.09705	0.4
251.07034	0.5
255.68100	0.4
260.08423	0.6
261.09171	0.7
263.07022	0.8
264.04309	0.5
264.07880	0.5
265.04999	0.6
272.08380	0.5
275.07184	1.2
276.07816	0.4
277.08743	0.5
279.06570	1.3
279.09946	0.5
281.04584	0.5
281.08081	0.6
287.06973	0.5
288.07895	0.9
289.08664	1.4
290.05832	0.4
290.09247	0.5
291.06537	1.6
291.10110	0.5
293.04562	0.7
293.08023	0.6
295.09738	0.5
300.08099	0.4
301.08536	1.2
303.06601	6.1
303.09940	0.8
304.07349	0.9
305.04459	1.0
305.08078	1.4
306.08926	1.4
307.06171	0.4
309.04581	0.4
309.07513	2.4
315.06409	0.8
315.10129	0.6
316.07352	2.2
316.10635	0.4
317.08163	2.8
318.08908	0.9
319.06451	0.5
319.09698	2.2
321.07813	0.5
321.11279	2.1
323.09393	0.5
329.07922	0.7
331.06100	1.2
331.09747	2.5
332.06854	1.4
333.07489	1.8
333.11270	1.4
334.08362	2.5
335.09122	1.0
345.07620	2.5
346.08456	3.7
347.09155	6.6
348.09940	0.6
349.10730	11.6
349.15045	0.6
350.11310	0.5
351.08759	0.9
359.09189	1.1
360.09915	0.9
361.07010	2.3
361.10864	1.0
363.08664	3.9
363.12524	0.9
373.10797	1.0
376.09583	1.5
377.10233	9.5
378.11023	8.7
379.08047	1.6
381.13663	0.8
391.11798	10.4
394.10498	2.1
406.10373	0.5
407.11465	0.8
409.12851	100.0
410.13065	2.4
451.14221	0.6
466.52094	0.4
571.17719	3.5
571.31543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01871	0.7
57.03441	1.6
61.02928	1.6
67.05491	0.3
69.03070	0.5
69.03429	6.2
71.04989	0.6
71.56467	0.2
71.56834	0.4
73.02908	1.2
79.05494	0.3
81.03421	1.6
85.02907	9.8
87.04472	1.1
91.03948	0.3
91.05463	0.2
95.04930	0.3
95.08608	0.3
97.02893	3.0
98.97588	0.3
99.04445	0.8
101.02403	0.4
102.76675	0.2
107.74206	0.2
109.02882	1.0
110.03614	0.3
112.42216	0.2
115.03940	0.3
115.05484	0.3
119.37993	0.2
121.10064	0.2
125.06030	0.4
127.03933	2.2
128.06215	0.3
129.06973	0.2
135.04424	0.3
137.06026	0.3
145.04976	1.0
147.04407	0.7
149.02333	0.3
149.06065	0.5
153.05466	0.3
157.06497	0.6
159.04405	0.8
160.05251	0.5
161.05989	0.3
162.25252	0.3
167.07080	0.4
171.04523	0.2
175.03918	0.5
176.04684	0.4
181.04985	0.4
181.06482	0.3
184.05266	0.5
185.05960	0.7
187.03854	1.3
189.05432	0.4
191.07047	2.6
197.06055	0.3
201.05415	0.4
205.04935	0.7
213.05513	0.5
215.08649	0.3
221.04317	0.3
235.07574	0.5
235.71497	0.2
237.05457	0.5
239.03397	0.4
247.07678	0.4
249.05481	0.3
249.09027	0.3
251.07097	0.4
259.07602	0.4
260.08197	0.5
261.09186	1.0
262.06461	0.3
263.07098	0.7
264.04196	0.6
264.07733	0.4
265.04932	0.6
266.05716	0.4
267.06448	0.5
271.07703	0.4
273.08966	0.4
274.06335	0.5
275.07101	0.7
275.10458	0.5
276.04211	0.3
276.07703	0.6
277.05115	0.6
277.08609	0.8
278.09354	0.3
279.06543	1.6
280.70755	0.3
281.08151	0.5
283.06213	0.4
285.08981	0.4
287.07092	0.8
287.10345	0.3
288.07846	0.9
289.08514	1.5
291.06604	1.3
291.10187	0.7
293.04477	0.5
293.08115	0.6
295.06201	0.3
295.09647	0.4
297.07651	0.3
299.06793	0.4
301.08563	1.0
303.06528	4.8
303.10150	1.2
304.07327	0.6
304.10773	0.3
305.04724	0.4
305.08115	1.3
306.05856	0.3
306.08847	1.4
307.05960	0.9
307.09521	0.6
309.07574	3.2
311.09155	0.9
315.06540	0.8
315.10165	0.5
316.07251	1.9
317.08081	2.8
318.08649	1.2
319.06131	0.5
319.09668	2.5
320.06787	0.4
321.07550	0.8
321.11237	1.6
323.09131	0.8
329.08072	1.0
331.05948	1.1
331.09692	2.2
332.06821	1.7
332.10352	0.5
333.07523	2.1
333.11270	1.0
334.08386	2.8
335.05753	0.3
335.09183	1.5
335.12842	0.5
337.07013	0.4
339.08600	0.5
345.07608	2.5
345.11243	0.4
346.08401	3.3
347.09140	6.0
347.13107	0.5
348.09943	0.7
349.10721	11.5
349.15030	0.6
350.11389	0.3
351.08612	1.0
353.13904	0.8
359.09207	1.2
360.09930	0.5
361.07037	1.6
361.10745	0.5
362.07629	0.4
362.11682	0.3
363.08594	3.4
363.12469	1.3
364.09052	0.3
365.10138	0.4
373.10641	0.9
374.11536	0.6
375.08752	0.3
376.09235	1.6
377.10236	7.9
378.10989	9.0
379.07913	1.7
379.11935	0.5
381.13382	2.8
391.11761	9.1
392.12439	0.6
394.10504	2.5
395.11365	0.3
407.11285	0.3
409.12823	100.0
410.13266	2.2
424.11795	0.3
451.13989	1.2
517.14899	0.3
543.18604	3.0
553.16992	0.3
571.17798	3.6
571.25610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.4
57.03435	3.7
58.66761	1.1
59.48002	1.1
60.52616	1.1
61.02907	1.8
67.05498	3.6
69.03438	7.8
69.07082	1.8
69.31773	3.0
69.32179	9.7
71.05024	1.7
73.02933	1.6
79.05487	4.1
81.03416	4.9
81.07056	5.3
83.04985	1.3
85.02916	10.1
91.05486	3.5
93.07047	3.1
95.04939	1.3
95.08610	4.5
97.02908	3.9
98.21561	2.6
98.97601	2.0
99.04449	1.4
105.07040	3.9
107.04942	1.9
107.08611	2.2
109.02888	3.6
109.06562	1.9
109.10169	2.1
111.08037	1.6
117.07008	1.5
119.04910	1.6
119.08598	3.8
121.06514	1.3
121.10142	2.9
123.11713	2.3
125.06004	1.6
127.03915	3.7
129.07060	2.1
131.08495	2.5
133.10127	2.8
135.04391	2.2
135.11647	1.7
137.02313	2.2
137.13222	1.7
143.08577	1.2
145.05019	2.1
147.04405	4.7
149.02367	2.1
149.06026	2.2
151.03888	1.8
153.05418	1.9
158.99657	1.5
159.04366	1.7
159.11578	1.5
161.02438	1.4
161.05972	2.5
163.03867	1.5
167.06982	1.2
173.05975	3.1
175.03922	3.6
176.04694	1.4
176.42784	1.5
177.05498	2.8
185.06036	2.3
185.79597	1.2
187.03944	11.9
191.07033	16.2
193.04997	2.8
201.05457	1.9
203.07005	7.0
205.04973	2.8
213.05502	1.9
235.07516	1.5
260.08466	1.7
261.09192	1.4
263.06973	3.8
275.07059	2.3
278.09311	1.8
279.06366	1.8
279.10165	1.6
285.07559	1.9
288.08017	1.5
289.08575	3.4
291.06439	2.4
291.09891	1.4
293.08084	2.9
293.11642	2.1
295.06198	1.4
301.08575	2.8
303.06509	6.2
303.09946	2.7
305.07986	1.9
305.24866	1.4
306.08963	3.0
307.09543	2.4
309.07535	3.2
309.14883	1.6
316.07434	1.8
317.08109	4.9
318.08850	3.2
319.06177	3.1
319.09464	2.5
321.11127	8.4
323.09052	2.0
323.12610	1.7
331.05899	2.3
331.09641	2.9
332.06821	1.9
333.07501	4.2
333.11267	4.4
334.08179	4.4
335.09213	11.4
337.07047	2.4
345.07578	3.1
346.08401	1.8
347.09250	10.1
347.12814	2.6
349.10754	17.5
350.11472	3.6
351.04907	2.7
351.08698	2.8
359.09326	2.5
361.06888	3.7
361.10760	4.3
362.11557	2.4
363.08508	4.5
363.12482	3.0
365.13852	92.1
366.14371	2.6
377.10114	11.1
378.11014	9.8
381.13406	20.6
391.11801	15.7
393.13385	44.9
409.12839	100.0
410.12991	2.8
435.06760	1.9
553.10992	2.1
571.17596	5.4
571.26965	4.5
594.12726	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01859	0.5
55.05490	0.3
57.03438	1.7
61.02924	1.5
67.05493	0.3
68.99760	0.2
69.03068	0.3
69.03432	5.3
69.07056	0.5
69.44249	1.2
71.01350	0.3
71.04977	0.4
73.02927	1.2
79.05499	0.4
81.03419	1.7
81.07055	0.9
82.04192	0.1
83.04974	0.2
85.02907	9.5
87.00808	0.2
87.04480	0.8
91.03947	0.3
91.05472	0.3
93.07045	0.6
95.01364	0.2
95.04926	0.3
95.08614	0.3
97.02895	2.9
98.20766	0.3
99.04445	0.9
101.02398	0.2
103.03955	0.3
105.07022	0.4
107.04942	0.3
107.08592	0.4
109.02882	1.4
119.08570	0.2
119.68002	0.2
121.10127	0.3
123.11716	0.2
125.05984	0.4
127.03916	2.4
128.06250	0.2
129.06958	0.4
131.04935	0.3
132.05751	0.2
133.10152	0.2
137.05972	0.2
145.04976	1.1
145.06458	0.2
147.04440	0.8
149.05972	0.5
149.13268	0.2
151.11177	0.4
153.05496	0.2
156.05798	0.2
157.06488	0.5
159.04333	0.2
160.05176	0.3
161.02351	0.2
161.06032	0.2
163.03975	0.3
171.08009	0.2
175.03925	0.3
176.04671	0.3
177.05492	0.3
179.07016	0.2
181.04959	0.4
184.05205	0.6
185.05986	0.6
187.03928	1.3
189.05571	0.4
191.07016	1.8
197.06139	0.2
201.05545	0.3
203.03322	0.2
205.04979	0.8
207.06453	0.3
211.07683	0.2
213.05490	0.2
217.05002	0.2
218.07210	0.2
219.08275	0.2
225.05508	0.2
231.08064	0.4
232.08739	0.3
235.07584	0.4
236.04808	0.2
237.05432	0.4
239.03267	0.2
243.08044	0.3
245.09558	0.2
248.04892	0.1
248.08328	0.2
249.05412	0.3
249.09406	0.2
251.06929	0.2
252.04199	0.3
253.08617	0.2
259.07550	0.3
260.08441	0.3
261.09137	0.7
263.07086	0.6
264.04214	0.4
264.07663	0.2
265.05029	0.5
265.08569	0.2
266.05801	0.2
267.06543	0.3
271.07446	0.4
272.08292	0.2
273.05566	0.2
273.09048	0.4
274.06354	0.2
275.07043	1.0
275.10306	0.3
276.04214	0.3
276.07828	0.5
277.04993	0.5
277.08643	0.8
278.09335	0.3
279.06546	1.3
279.09726	0.3
280.07205	0.2
281.04572	0.3
281.08060	0.4
283.06094	0.2
285.09225	0.3
287.07144	0.8
287.09875	0.2
288.07834	1.2
289.05392	0.3
289.08517	1.6
290.05829	0.4
290.09268	0.3
291.06570	1.7
291.10129	0.5
292.07556	0.2
293.04498	0.6
293.08078	0.7
293.11334	0.2
294.05283	0.3
295.06186	0.4
295.09549	0.4
299.07062	0.4
300.07971	0.3
301.08655	0.7
302.06015	0.2
302.09351	0.3
303.06573	5.3
303.10120	0.7
304.07324	0.7
304.10718	0.3
305.04550	0.5
305.08112	1.1
305.11282	0.2
305.24817	0.2
306.08817	1.6
307.06326	0.3
307.09662	0.6
309.07547	3.0
309.11032	0.2
314.09381	0.2
315.06573	0.9
315.10147	0.6
316.07373	1.9
316.10773	0.3
317.08051	2.4
317.11603	0.3
318.08798	1.3
319.05933	0.6
319.09656	2.1
320.06790	0.7
320.10364	0.3
321.07608	0.6
321.11288	1.4
323.05441	0.3
323.09207	0.4
327.06274	0.2
329.08194	0.8
330.08917	0.4
331.05991	0.9
331.09695	2.3
332.06805	1.6
332.10507	0.4
333.07590	2.0
333.11310	1.4
334.08334	3.3
335.09216	1.5
335.12704	0.3
339.08829	0.3
344.06552	0.3
345.07611	2.1
345.11334	0.5
346.04443	0.3
346.08331	3.5
347.09134	5.9
348.09985	0.7
349.10709	12.4
350.11209	0.3
351.08588	1.0
359.09079	1.1
360.09961	0.8
361.07040	2.0
361.10849	0.7
362.11554	0.6
363.08582	3.7
363.12439	1.1
364.09094	0.2
365.10068	0.3
373.10733	1.1
374.11298	0.8
375.08636	0.7
376.09518	1.4
377.10202	9.5
378.10999	9.2
379.07797	1.5
379.11868	0.4
381.13367	0.7
391.11780	8.4
392.12488	0.4
393.09415	0.3
393.13766	0.3
394.10553	2.2
395.11368	0.2
405.09845	0.3
406.10333	0.2
407.11380	0.3
408.12238	0.2
409.12817	100.0
410.13174	2.9
414.99750	0.2
437.12537	0.5
451.13943	1.0
511.16040	0.3
513.13330	0.2
553.17316	0.3
571.18036	3.0
571.27161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01843	0.5
57.03424	2.2
61.02912	2.0
67.05490	0.9
69.03432	7.0
69.07063	2.0
69.58775	3.4
70.06592	1.0
70.10509	0.4
71.04987	0.8
73.02901	1.7
79.05489	1.4
81.03419	2.7
81.07053	1.4
85.02420	1.0
85.02908	12.4
85.06563	0.6
87.04472	1.3
91.03975	0.6
91.05466	0.8
93.07040	1.7
95.04974	1.0
95.08601	1.1
97.02907	4.2
97.06517	0.7
99.04484	1.1
101.02376	0.9
105.07022	1.1
105.45486	0.4
107.04928	0.9
107.08593	1.2
109.02888	2.5
109.10163	1.0
115.05589	0.5
119.08633	0.7
121.10126	0.9
123.04448	0.5
125.05953	0.6
127.03918	4.4
128.06223	0.6
129.07004	0.8
131.04930	0.6
133.10124	0.6
135.11581	0.5
145.04893	1.0
147.04420	1.6
147.11670	0.6
149.05951	1.1
151.07614	0.7
151.11180	1.1
157.06479	0.7
159.04340	0.5
159.11635	0.6
161.05965	0.6
163.03853	0.8
167.06998	0.7
173.05977	0.7
175.03932	0.9
175.07559	0.8
176.04747	0.6
177.05463	1.0
183.04385	0.5
184.05161	0.6
185.05928	1.2
187.03975	0.7
189.05495	0.6
191.06998	4.3
197.06027	0.8
205.04947	1.0
211.07550	0.7
213.05460	0.7
235.07555	0.6
237.05289	0.7
251.07048	1.0
253.04756	0.6
257.08041	1.0
261.09189	1.0
263.07187	0.7
264.14587	0.8
265.04938	0.6
267.06619	0.6
267.10217	0.7
269.08099	0.7
273.08942	0.6
275.07071	1.1
275.10568	0.7
276.07678	0.8
277.08722	0.8
279.06564	1.7
281.08176	0.7
287.06964	0.8
288.07837	1.3
289.08655	1.9
291.06567	1.4
291.10074	0.8
295.06003	1.1
297.07526	0.7
298.08307	0.8
301.08612	1.1
302.09143	0.6
303.06558	3.3
303.10144	1.4
304.10806	1.3
305.04852	0.6
305.08237	1.3
306.08908	1.8
307.06241	1.0
307.09595	0.7
309.07596	2.9
311.05981	0.7
311.09128	3.6
316.07382	2.0
317.08051	2.2
319.06277	1.0
319.09698	2.7
320.10449	0.7
321.04068	0.7
321.07639	0.9
321.11240	1.5
323.09128	1.9
329.08014	0.8
331.06262	1.1
331.09766	2.0
332.06787	1.1
332.10443	0.8
333.07492	2.0
333.11316	1.4
334.08249	2.6
335.09134	1.8
335.12756	1.4
337.11075	0.8
345.07544	2.3
345.11200	0.8
346.08316	2.6
347.09155	6.6
348.09933	0.9
349.10736	10.9
351.08609	1.1
353.13873	3.5
359.09256	0.8
361.07043	3.0
361.10855	0.9
363.08548	3.8
363.12418	3.2
373.10846	1.0
376.09402	1.9
377.10193	9.1
378.10965	8.3
379.08099	2.2
381.13315	10.8
388.51212	0.7
391.11774	9.9
392.12369	1.1
394.10281	2.3
409.12833	100.0
410.13290	3.5
451.13760	1.5
543.18707	13.8
571.18115	3.2
571.25116	1.6
571.32697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01862	0.5
55.05508	0.3
57.03441	1.4
60.02134	0.3
61.02925	1.4
67.05503	0.4
68.99789	0.1
69.03434	5.6
69.07062	0.2
69.36185	0.1
70.21076	0.6
70.21434	0.2
71.01360	0.4
71.04996	0.6
73.02917	1.3
79.05495	0.4
81.03423	1.7
81.07057	0.6
83.01335	0.2
85.02910	9.0
85.06504	0.2
87.04473	1.0
87.36642	0.1
91.03967	0.3
91.05499	0.5
93.07053	0.5
95.04987	0.4
95.08611	0.3
97.02897	2.4
97.06517	0.2
99.04482	0.7
99.37153	0.1
101.02373	0.5
103.03944	0.2
105.07056	0.2
107.04950	0.4
107.08602	0.3
109.02879	1.0
109.10164	0.3
115.03970	0.4
119.04958	0.2
119.08592	0.3
121.10155	0.5
125.05984	0.3
127.03923	2.5
128.06242	0.4
129.06972	0.2
131.04927	0.3
131.08656	0.2
132.05765	0.2
133.06537	0.2
133.10118	0.2
135.04385	0.2
145.04959	0.9
145.05928	0.1
145.06456	0.1
145.10179	0.2
146.03801	0.1
147.04430	0.8
149.02359	0.2
149.06006	0.5
149.09586	0.2
151.07555	0.2
153.05458	0.4
156.05757	0.2
157.06506	0.3
158.07220	0.1
159.03145	0.2
159.04414	0.4
160.05281	0.3
161.05992	0.3
161.09540	0.2
161.13214	0.2
163.04013	0.2
165.05542	0.2
165.06969	0.1
169.06471	0.3
171.04387	0.2
173.05945	0.2
175.03906	0.4
176.04654	0.4
177.05415	0.3
179.07065	0.2
181.04945	0.6
184.05154	0.9
185.05998	0.6
187.03931	0.9
187.07542	0.2
189.05438	0.4
191.07028	1.9
193.04970	0.2
201.05452	0.2
203.03349	0.2
203.08669	0.2
203.14339	0.4
205.04977	1.0
207.06477	0.3
211.07640	0.3
213.05490	0.3
217.05031	0.2
218.07326	0.2
221.06143	0.2
225.05661	0.2
231.08061	0.2
232.08862	0.3
233.09641	0.2
235.07532	0.5
236.08327	0.2
237.05505	0.3
237.09081	0.2
237.81055	0.1
239.03441	0.4
243.08220	0.3
245.06062	0.1
245.09525	0.2
245.15308	0.2
247.07565	0.2
248.08437	0.2
249.05618	0.4
249.09070	0.3
250.06273	0.2
251.03362	0.3
251.07112	0.5
252.04074	0.2
253.05119	0.2
253.08472	0.2
257.08057	0.3
258.06815	0.1
259.07556	0.4
260.08337	0.7
261.09244	0.7
263.07010	0.6
264.04245	0.6
264.07779	0.3
265.04938	0.4
266.05667	0.5
267.06723	0.3
267.10071	0.2
269.13596	0.4
271.07565	0.4
272.08398	0.3
273.05637	0.2
273.09131	0.5
274.06244	0.3
275.07062	1.0
275.10483	0.2
276.04199	0.4
276.07898	0.5
277.05463	0.7
277.08401	0.8
278.02301	0.2
278.05405	0.3
278.09244	0.2
279.06543	1.3
279.10022	0.3
279.98273	0.1
280.03717	0.2
280.07288	0.2
281.04819	0.3
281.08188	0.5
283.05969	0.2
285.09140	0.3
287.07172	0.7
288.07794	1.1
289.05338	0.2
289.08530	1.8
289.11584	0.2
290.05780	0.3
290.09186	0.3
291.06546	1.7
291.10156	0.5
292.07233	0.2
293.04471	0.6
293.08087	0.4
294.05261	0.3
295.06100	0.5
295.09409	0.3
296.06796	0.2
299.06998	0.4
300.07806	0.3
301.08725	1.1
302.05685	0.4
302.09167	0.2
303.06580	5.2
303.10120	0.8
304.07254	0.7
304.10815	0.3
305.04556	0.3
305.08121	0.9
305.11591	0.3
305.24667	0.2
306.08899	1.7
307.05865	0.4
307.09573	0.5
308.06839	0.3
309.07648	2.9
311.09164	0.3
313.08502	0.3
314.09189	0.2
315.06488	0.7
315.10135	0.4
316.07260	1.9
317.04428	0.3
317.08069	2.7
317.11642	0.3
318.05350	0.3
318.08832	1.2
319.05969	0.4
319.09689	2.1
320.06830	0.5
320.10437	0.3
321.07581	0.9
321.11240	1.7
322.07968	0.3
323.08969	0.5
327.06665	0.2
329.08099	0.6
330.08923	0.3
331.05966	0.9
331.09702	2.0
332.06812	1.5
332.10468	0.5
333.07520	1.9
333.11307	1.7
334.08331	2.8
334.12018	0.2
335.05457	0.3
335.09061	1.4
335.12781	0.2
337.07153	0.3
339.08740	0.3
343.06030	0.2
343.09723	0.2
344.06677	0.2
344.10464	0.2
345.07617	2.4
345.11276	0.2
346.08359	3.4
346.12601	0.2
347.09161	6.5
348.09708	0.8
349.10727	12.1
350.11432	0.3
351.08615	1.1
359.09091	1.1
360.06042	0.2
360.09915	1.0
361.07101	2.0
361.10938	0.4
362.07562	0.3
362.11530	0.4
363.08624	4.0
363.12485	1.0
365.10355	0.2
373.10837	1.0
374.11603	0.7
375.08466	0.5
376.09348	1.3
377.10229	9.3
378.10999	10.0
379.08096	2.0
379.11932	0.4
381.13452	0.8
391.11804	9.2
392.12482	0.4
393.13605	0.3
394.10477	2.5
395.11002	0.3
395.20721	0.7
407.11386	0.5
408.12106	0.3
409.12830	100.0
410.13202	2.6
420.12079	0.3
437.12415	0.5
451.13730	1.0
511.15482	0.3
517.14478	0.2
526.13971	0.1
527.14142	0.8
539.15771	0.2
553.16986	0.5
571.17914	3.4
571.30743	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	570.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56054	1.0
63.37240	0.9
64.11066	1.1
67.05497	1.6
70.81862	3.0
79.05483	2.3
82.06564	1.4
89.03887	1.3
93.05756	1.0
93.07052	3.9
93.31447	1.0
94.06588	5.2
95.05022	1.4
95.07347	2.7
96.08131	13.2
97.06510	1.5
99.89339	1.0
106.06539	2.4
108.08127	10.4
110.09689	12.2
110.88279	1.1
116.04982	9.2
120.04441	1.3
120.08117	10.6
122.06052	6.8
124.07607	27.5
134.06024	1.6
136.07597	14.0
138.09148	15.3
144.04456	19.7
146.06006	2.8
148.07553	3.8
152.07091	6.8
160.03943	1.8
162.05504	4.4
163.03824	1.1
166.08646	26.1
172.03951	76.4
184.07286	1.2
190.04997	32.7
198.07660	1.9
204.06583	100.0
205.06830	1.4
214.10751	6.0
223.08601	2.7
224.64806	1.0
225.10258	1.8
231.03244	1.0
235.08649	1.9
236.09503	3.1
237.06654	1.8
237.10190	6.1
239.08133	1.3
241.09741	1.5
248.09398	1.1
249.10069	1.5
251.08139	8.9
251.11807	2.9
252.09004	1.8
253.09790	4.7
254.10538	1.7
255.11440	1.4
264.08847	5.5
265.09711	15.7
266.10522	4.1
267.07602	1.3
267.11313	3.3
267.29819	1.0
269.09177	1.2
279.07669	14.8
279.11246	5.7
280.08463	2.5
281.09274	3.7
281.12753	2.2
282.09982	2.4
292.08466	5.1
293.09207	14.2
294.10080	4.8
295.10626	2.2
297.08957	1.6
297.12292	12.4
298.09344	1.1
299.10220	2.0
301.11823	1.5
305.05676	1.4
307.10760	4.7
309.12354	5.5
310.09512	2.1
311.10107	1.8
313.11795	4.0
315.13406	1.7
320.07870	3.5
323.10318	1.9
325.11856	66.0
326.12314	1.8
327.13434	1.4
335.10217	2.8
338.08966	10.7
341.11316	14.0
343.12891	5.0
353.11356	34.8
353.15735	2.1
357.14572	12.1
367.12720	1.5
370.11670	1.2
373.13983	14.9
385.13895	13.5
409.12695	1.2
439.31412	1.1
462.20300	2.2
473.15643	1.3
474.16873	1.3
478.19785	5.2
488.18005	2.4
506.19241	38.2
510.22296	1.6
520.20673	1.6
524.02917	1.1
538.21893	77.5
539.22180	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	569.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49517	0.3
56.96563	0.5
59.10723	0.4
60.85143	0.4
63.85474	0.4
67.05504	1.0
69.07050	0.4
69.39595	0.4
69.46203	1.6
69.46627	1.4
79.05494	0.9
81.03419	0.7
81.07069	1.0
83.04964	0.4
85.02911	0.9
91.05491	0.7
93.07040	0.7
95.04968	0.4
95.08629	0.5
98.20747	0.8
105.07027	1.0
107.08620	0.7
109.06535	0.4
109.10201	0.5
115.90231	0.4
119.08567	0.8
120.12629	0.4
121.06487	0.4
121.10107	0.6
127.03923	0.8
131.08614	0.5
133.10155	0.6
137.02396	0.7
147.04440	0.9
168.87247	0.4
177.05516	1.3
203.05322	0.8
205.05009	1.3
253.05025	0.5
255.06575	0.7
259.07974	1.4
271.06058	0.5
321.16962	1.0
407.24130	1.4
433.09042	0.6
467.09293	0.5
481.24246	1.1
483.22018	8.7
569.29346	100.0
570.29553	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19001	0.7
79.05487	1.7
80.04974	1.0
81.07053	0.9
82.06580	2.4
89.03914	1.4
91.05452	0.8
93.07024	2.0
94.06561	4.3
95.07354	1.6
96.07647	0.7
96.08142	8.1
106.06541	1.4
107.07397	0.7
108.08119	6.8
110.08991	0.8
110.09690	7.4
115.51939	0.7
116.04992	9.5
120.04462	0.7
120.08102	5.7
122.06035	5.9
124.07593	23.0
132.04399	0.9
134.06013	0.8
136.07581	10.1
138.05463	1.1
138.09148	9.3
144.04449	21.0
146.05974	1.2
148.07559	3.4
148.55829	0.6
152.07080	7.0
160.03926	1.7
162.05502	6.6
166.04970	0.8
166.08646	17.8
172.03938	84.0
174.05553	1.0
180.06522	1.6
182.08231	0.8
190.04996	31.7
196.09793	0.7
198.07637	3.0
204.06564	100.0
205.06961	0.8
212.09209	1.6
214.10670	4.3
223.08713	1.7
226.11116	0.7
235.08598	1.1
236.09480	2.5
237.06580	0.9
237.10269	1.3
238.10965	1.2
239.08116	1.3
241.09735	1.0
251.08170	2.5
251.11845	1.9
252.08861	1.2
253.09731	2.9
263.08054	0.7
264.08963	1.8
265.09702	4.7
265.42609	0.8
266.10483	1.6
267.11313	1.3
269.12781	0.8
276.59500	0.8
279.07687	4.5
279.11288	3.9
280.08582	1.1
281.09238	2.0
281.12637	1.0
282.10092	1.3
283.10724	1.1
292.08365	3.9
293.09247	5.6
294.09970	2.1
295.10849	1.3
297.08987	1.1
297.12305	12.2
299.10181	1.0
307.10730	2.2
309.12393	2.9
310.09439	1.4
311.10150	1.2
313.11871	2.2
320.07980	1.4
321.07724	2.1
322.07645	3.3
323.10144	1.3
325.11844	55.1
326.12384	1.6
329.15039	1.1
335.10300	1.8
338.09027	4.1
341.11383	10.6
343.12842	6.0
353.11328	21.3
356.14838	0.7
357.14511	8.9
367.12732	0.9
373.13977	11.0
385.13947	7.4
435.17749	1.0
450.21069	0.9
462.20737	0.9
471.13870	0.8
478.19675	2.7
488.18289	1.3
489.27344	0.7
506.19250	27.4
520.20721	1.9
526.13861	4.3
527.97711	0.7
529.73804	0.8
531.09137	0.8
538.21857	61.2
539.21753	1.3
570.13391	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	569.2935
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
67.05495	0.4
69.79681	1.3
70.13186	0.3
70.57899	0.2
79.05495	0.4
81.07032	0.3
85.02913	0.6
91.05493	0.8
91.60805	0.2
92.19036	0.3
93.07056	0.5
95.08628	0.3
105.07031	0.6
107.08584	0.4
137.02405	0.5
167.07091	0.3
185.04298	0.4
221.97395	0.3
228.04239	0.4
245.54144	0.3
269.08054	0.4
270.08859	0.5
271.06064	1.0
299.05676	0.6
321.16809	1.0
325.07010	0.4
327.03699	0.3
373.32742	0.3
386.90405	0.3
407.24020	1.8
433.09286	0.3
481.24133	0.8
483.22058	9.9
525.86761	0.3
548.25598	0.4
551.27844	0.4
569.29333	100.0
570.29694	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	569.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01862	1.1
55.05513	2.1
57.03415	0.4
57.07077	2.6
61.99018	0.4
67.05473	1.6
69.03416	0.8
69.07072	5.6
71.08614	1.3
73.71221	0.5
77.03926	0.6
79.05493	3.0
81.03394	1.4
81.07057	4.4
83.04963	0.6
83.08604	1.4
88.07617	0.9
91.05487	4.1
93.07054	2.2
95.01342	2.7
95.04964	1.0
95.08614	3.7
98.20761	1.0
103.05447	0.6
105.03391	0.8
105.07044	6.5
107.04935	2.0
107.08572	2.0
109.06506	1.7
109.10162	1.7
115.05453	1.3
117.07011	2.1
119.04958	1.2
119.08580	5.0
121.02882	0.6
121.06496	0.6
121.10149	1.0
123.00787	0.8
123.04470	0.7
125.95686	0.4
128.06213	1.4
129.07016	3.2
130.07751	0.5
131.04944	0.8
131.08585	2.5
133.02882	2.3
133.06535	0.8
133.10155	2.3
135.04439	2.9
141.07019	1.9
142.07780	0.8
143.08565	2.6
144.29939	0.5
145.06490	2.2
145.10117	4.4
147.04390	1.4
147.08086	3.3
147.11691	1.6
149.02336	2.1
149.13269	0.6
149.60197	0.5
151.03899	0.7
153.06993	0.7
155.08568	3.0
156.09384	1.0
157.06511	1.1
157.10133	1.8
158.07230	0.9
159.08089	2.8
159.11714	1.6
160.05244	0.9
161.02357	7.7
161.05960	3.3
161.09615	1.0
161.27055	0.4
163.03894	2.9
165.07047	1.5
166.07761	0.7
167.03384	1.8
167.08597	1.3
169.06487	0.7
169.10120	2.2
171.08051	1.8
171.11707	1.3
173.05984	1.1
173.09636	5.1
173.13268	0.7
175.03978	2.1
175.07574	2.6
178.07709	0.6
179.08568	1.7
180.09367	0.5
181.06503	0.8
181.10095	1.8
182.07201	0.6
183.08110	2.7
183.11758	1.5
184.08827	1.4
185.05988	4.5
185.09657	1.2
187.03912	2.7
187.07535	0.7
187.11179	0.9
189.05417	1.2
189.09079	0.9
193.10095	0.8
194.10904	0.6
195.08086	1.2
195.11725	1.0
197.05949	0.9
197.09685	1.6
197.13316	0.8
199.07573	1.7
199.11203	1.7
201.05443	0.8
201.09109	2.7
203.07043	100.0
203.17862	0.6
204.07465	1.0
208.08919	0.5
209.09584	2.1
209.13284	1.1
211.07561	1.3
211.11256	1.3
213.09108	1.5
215.10727	0.9
220.08812	0.6
223.07584	1.0
223.11180	0.9
225.09067	1.6
227.07004	1.0
227.10696	0.9
227.14339	0.5
229.08623	2.2
231.06645	0.7
235.07585	1.0
235.11292	0.5
236.11983	0.6
237.09099	1.7
237.12746	1.3
239.10776	0.7
239.18089	0.7
241.08627	1.9
243.10176	19.7
251.10661	0.6
253.08551	1.0
255.06812	0.7
255.10216	1.6
257.19165	0.5
263.07025	0.7
265.12296	1.6
269.08124	1.1
271.09689	1.2
271.20560	0.8
281.08237	0.7
281.11697	0.6
281.18930	0.8
291.10080	1.3
293.11804	0.6
295.09592	0.7
309.11234	1.7
309.18491	0.8
311.23633	4.4
319.09619	1.3
321.11151	1.2
321.22137	1.9
322.22910	4.4
327.19577	0.6
335.09305	0.7
337.10724	2.3
339.12253	1.1
339.23166	2.8
347.09094	0.6
349.10678	1.4
349.21573	4.9
350.22437	1.5
365.10214	5.1
365.21136	0.8
367.22717	5.3
375.19611	0.7
393.20718	0.7
431.14996	1.8
495.29019	0.6
513.29523	2.6
523.28534	1.8
525.30139	1.5
533.27448	0.8
539.28046	1.0
541.29376	2.3
551.27911	5.0
568.56696	1.9
569.28986	20.2
569.56873	0.9
570.29474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74709	1.1
52.92644	1.2
57.07064	4.9
63.81070	1.2
64.05348	1.2
67.05496	2.4
68.99802	2.4
69.07069	4.3
69.23609	12.5
70.06600	2.8
79.05500	9.2
81.07059	5.3
88.07637	4.4
91.05483	5.2
93.07070	3.3
95.04957	6.5
95.08607	5.3
98.20719	2.6
99.27600	1.3
102.09180	4.0
105.07066	7.2
106.38004	1.1
107.04955	9.7
107.08598	1.9
109.10134	1.5
110.10522	1.2
117.07014	2.9
119.05023	1.1
119.08570	9.2
120.44884	1.2
121.02874	8.1
121.10139	2.2
123.04379	1.4
129.07011	1.4
131.08589	2.7
133.10149	2.6
135.04410	11.1
145.10057	3.0
147.00813	2.0
147.08028	3.4
147.11783	1.2
149.02426	1.7
151.03906	2.0
159.11801	3.3
161.02361	7.6
161.06023	3.2
163.03925	36.3
164.37036	1.4
165.05479	2.8
175.07581	2.5
177.09154	2.0
185.06056	4.6
189.01842	24.2
190.02588	1.3
191.03445	4.7
197.13396	1.5
203.07047	95.9
243.10315	1.8
267.10153	1.6
269.07983	2.1
283.26349	2.8
284.29504	7.4
285.30215	1.7
291.10245	1.4
295.09637	2.4
305.08130	2.0
309.11523	2.9
311.29364	5.9
312.32813	3.4
319.09683	3.0
323.09274	2.6
330.60376	1.3
337.10724	6.6
347.09311	1.7
365.10239	72.6
366.10385	1.3
366.56384	1.4
367.22632	1.6
555.80151	1.4
568.56836	16.7
569.29047	100.0
569.56970	6.3
570.29535	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	569.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80467	0.4
55.01860	0.7
55.05501	1.1
55.38013	0.4
57.07057	1.4
57.20556	0.5
65.03924	0.6
67.05511	2.1
68.87479	0.5
69.07066	1.8
70.06591	1.0
71.08639	0.7
77.09293	0.5
79.05478	1.6
80.54241	0.5
81.07065	3.5
83.04958	0.4
83.08610	1.0
88.07620	1.4
89.57372	0.5
91.05495	2.8
93.07040	1.9
95.01331	0.6
95.04975	1.1
95.08598	1.9
95.09151	0.4
96.03552	0.5
98.20703	1.0
102.09187	0.8
105.03364	0.6
105.07034	2.2
107.04948	1.1
107.08575	2.0
109.06509	1.8
109.10147	1.1
115.05470	0.9
117.07023	1.0
119.04962	3.5
119.08612	2.4
121.06486	0.6
121.10138	0.8
128.06206	1.2
129.07002	1.4
131.08562	2.0
133.06445	0.8
133.10088	0.6
135.04425	0.6
135.11725	0.8
137.13333	0.6
141.06979	0.6
143.08568	1.8
145.06503	1.5
145.10135	0.9
147.04395	1.5
147.08044	2.5
147.11726	0.7
149.02348	1.9
151.03920	0.6
155.08614	2.6
157.06497	1.4
157.10149	0.8
159.08006	0.9
159.11736	0.6
161.02357	6.4
161.05997	3.0
163.03856	1.2
167.03398	1.3
169.10104	0.6
171.08067	5.9
173.05916	2.3
175.03926	1.4
175.07590	2.0
179.08589	0.6
183.08083	2.7
184.05164	0.9
185.05988	3.8
187.03908	1.2
187.07549	0.9
189.05470	1.6
197.05887	0.8
197.09647	0.7
199.07559	13.5
200.08405	0.5
201.09096	1.4
203.07045	100.0
204.07417	0.9
205.04958	0.6
211.07559	21.5
212.08325	3.5
213.09045	1.0
215.10590	0.6
223.07376	0.5
225.09093	1.5
227.07031	3.3
229.08621	3.6
243.10190	15.6
255.06499	1.1
257.08139	0.6
283.26147	0.7
284.29633	2.6
285.29947	0.9
299.20956	0.5
309.12369	0.5
311.29538	2.1
312.32632	0.6
327.19550	0.7
355.13037	0.6
367.22842	0.9
373.14380	0.7
383.12897	3.2
385.14368	1.0
387.15930	1.4
395.12930	1.0
401.13687	2.5
413.13800	2.3
431.14926	20.6
551.27386	0.7
568.56787	4.4
569.28583	2.5
569.38300	3.8
569.56860	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	569.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52597	0.3
56.64181	0.4
67.56422	0.3
69.54715	1.8
69.55121	0.8
81.07078	1.0
91.05475	1.0
95.08658	0.5
98.21564	0.6
105.71632	0.4
107.08600	0.4
134.03426	1.4
144.71748	0.4
220.19009	0.4
225.05293	0.6
251.06877	0.8
297.11020	0.7
359.12631	1.3
433.12677	6.9
433.18488	0.5
467.14313	0.5
469.16281	0.9
485.15784	0.9
537.22797	1.1
568.56604	1.0
569.25146	100.0
570.25067	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	569.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48547	0.4
57.07079	0.5
64.54245	0.4
69.07082	0.6
69.24600	1.1
69.24998	3.2
75.23950	0.5
81.07059	0.6
91.05520	0.4
93.07089	0.6
95.08606	1.1
98.20735	1.0
98.55034	0.4
102.09187	0.5
105.07110	0.6
113.79469	0.4
116.04523	0.4
121.10180	0.4
150.65939	0.5
190.02390	0.4
203.07072	0.5
233.11510	0.5
251.06882	2.2
284.29532	1.1
311.29507	0.9
402.10831	1.9
403.11462	1.0
418.10312	0.9
433.12613	47.3
434.13055	0.6
442.79065	0.4
485.14969	0.5
499.17551	0.5
539.20654	1.3
549.94519	0.4
568.56458	2.0
569.25134	100.0
570.25146	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	1.2
55.05680	0.6
60.64462	0.5
67.05396	4.1
67.05785	0.8
69.06962	2.7
69.07364	0.9
69.71725	0.5
69.97786	0.9
69.98179	1.1
70.14628	0.4
71.08563	0.6
79.05373	4.5
79.38824	0.5
81.03346	0.6
81.06942	8.4
81.07446	1.0
83.04912	0.4
83.08549	0.6
88.07516	0.5
91.05355	6.2
91.51442	0.4
93.06932	4.4
95.04842	2.5
95.08477	4.5
97.10107	0.6
99.79851	0.5
102.09045	0.5
105.06905	4.4
107.04874	0.9
107.08459	2.4
109.06393	0.6
109.10022	1.4
112.92796	0.5
117.06912	1.3
117.07655	0.5
119.08455	2.2
121.06390	1.1
121.09999	1.9
121.24087	0.5
123.04321	1.4
129.06870	1.4
131.08427	1.8
133.10002	1.3
135.07959	0.6
135.11554	2.0
137.13147	0.7
143.08444	1.3
145.06374	0.5
145.09969	1.7
147.07910	0.6
147.11507	1.0
151.03746	1.9
155.08406	0.9
157.10039	1.3
159.11609	0.7
161.13194	0.6
163.11028	0.8
166.83295	0.5
167.08514	0.6
171.11539	0.7
173.09575	0.9
173.13136	0.6
177.05296	1.3
181.10138	0.6
183.11719	0.8
186.89362	0.5
193.04811	2.2
195.11572	0.7
203.06981	1.3
205.05003	6.1
225.05191	0.7
235.13275	2.4
251.06799	2.8
311.29251	0.5
315.21127	0.6
402.10974	1.2
403.11627	0.7
433.12616	100.0
434.12912	1.3
470.21838	0.6
474.15335	1.0
485.15518	0.7
539.20782	0.7
568.56805	1.2
569.25226	66.8
569.37744	4.8
570.25128	1.3
575.37726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.4
57.03426	0.7
60.05647	1.2
60.45871	0.6
61.59662	0.5
70.06586	0.7
71.01353	3.0
71.51612	0.6
73.02923	3.4
83.01355	0.5
83.06119	0.8
85.02917	5.0
87.49493	0.5
95.01324	1.3
97.02896	0.5
101.02397	0.8
104.04977	0.5
105.03417	1.6
105.05742	0.5
106.06538	1.0
106.52726	0.6
111.05576	4.5
113.02366	1.8
113.07125	1.2
120.04482	7.2
126.06634	4.4
131.03400	0.9
132.04459	12.1
134.06041	4.8
141.01787	2.4
146.02388	0.5
150.05498	1.2
151.06197	4.8
159.05531	0.7
202.09747	7.6
203.08212	0.5
216.11327	1.2
230.09248	6.7
231.07701	2.3
232.10852	3.3
242.09293	2.2
257.10297	3.2
259.11917	54.3
260.10312	1.1
277.12970	7.6
282.23352	0.6
284.11432	6.0
301.14200	1.3
302.12454	20.3
317.16211	1.2
318.61896	0.6
333.15549	1.4
351.16660	12.8
358.15152	2.3
376.16006	2.7
393.18661	5.9
407.15747	0.9
509.18958	0.6
521.54523	0.6
527.19928	12.3
551.20978	0.7
555.48517	0.6
569.22052	100.0
570.22040	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1808
Annotation	Dehydroxyhexaspermone C
Peak:m/z	Relative Intensity
53.03942	1.2
54.81783	0.8
59.88519	0.7
62.43393	0.7
69.03426	0.9
70.94835	1.8
72.73948	0.8
79.05495	2.1
87.92121	0.8
91.05506	1.7
92.73250	0.7
95.04996	1.3
98.78230	0.8
103.05482	1.9
105.07034	2.8
107.04964	10.8
109.02900	1.3
109.06548	0.9
115.05453	1.5
115.12253	0.7
117.07063	0.7
118.04211	0.8
118.12602	0.7
121.06541	2.4
123.04480	1.3
125.02449	1.0
125.06022	1.1
128.06154	0.8
129.06938	0.8
131.04942	11.8
131.08438	0.9
132.05745	1.2
133.06534	2.8
135.04451	2.3
135.05490	0.8
137.05989	14.1
137.06935	1.3
143.04901	0.9
143.08627	0.7
145.06519	1.7
147.04407	1.4
149.05983	1.2
151.03908	1.1
153.01819	7.7
153.26462	0.9
155.04915	1.2
157.06534	1.2
158.07307	5.6
158.91302	1.3
161.05962	5.5
167.03506	1.4
167.08440	0.8
168.05760	1.2
169.06525	2.3
171.02919	1.2
171.08090	0.9
181.06377	0.9
183.04485	2.6
183.07991	1.0
184.05182	0.7
185.06000	1.3
185.09705	0.7
186.06796	5.6
189.61108	0.8
195.08109	1.5
196.05232	1.8
197.06038	1.7
198.06833	1.0
199.03946	1.0
199.07507	1.2
201.05553	0.8
201.09143	8.5
203.07045	0.9
205.05003	0.8
211.07570	1.1
213.05502	1.2
213.09186	0.8
214.06259	12.6
215.07054	0.9
223.07507	0.9
224.08266	1.0
225.05487	2.8
227.07101	2.4
229.08679	2.3
240.07893	2.2
241.05046	1.1
242.05789	4.2
253.05054	1.0
254.05728	1.0
255.06473	4.7
255.10150	1.8
257.08093	12.1
259.09760	3.4
269.04590	1.1
269.08121	0.9
270.05255	4.2
271.06195	2.1
272.06729	1.1
283.05975	1.1
285.07596	76.1
286.08130	1.7
296.06741	1.0
300.06317	6.1
313.07077	84.1
314.07806	1.1
315.08621	33.9
365.13763	1.7
433.12918	13.6
463.13947	2.7
498.19284	0.8
506.94025	0.7
509.11505	1.0
511.17300	1.2
514.36786	0.7
569.18121	100.0
570.18567	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	24.5
57.03432	1.6
61.02916	1.8
66.34859	0.9
69.03430	6.5
71.57087	1.4
71.95255	1.9
73.02914	1.2
81.03413	1.1
81.71481	1.1
84.08130	3.6
84.96041	6.2
85.02495	0.9
85.02917	10.1
87.04461	1.8
88.25739	0.9
91.05476	1.7
97.02895	6.1
98.97592	100.0
99.04426	1.1
100.99166	1.3
102.89129	1.1
102.96971	1.3
109.02848	0.9
110.96922	1.4
110.97583	15.6
111.05597	1.0
112.07610	1.1
112.99123	4.0
116.98631	42.9
124.99096	1.9
127.00663	2.0
127.03913	3.2
128.98621	14.5
129.02261	1.6
129.10234	1.6
130.08615	1.1
131.00186	4.7
132.04414	1.4
134.99667	8.9
137.05980	2.9
140.98618	2.5
143.00182	8.0
144.98093	3.1
145.01717	4.0
145.04935	1.9
146.99648	6.4
147.03339	7.4
147.04369	2.1
149.01199	1.7
151.06248	1.2
152.98561	3.4
157.01749	1.0
158.99667	35.1
159.03273	1.6
161.01231	4.8
162.99133	2.3
163.02766	3.6
165.00613	1.1
165.04395	4.8
170.99657	7.3
171.03247	1.9
173.01230	3.4
173.36774	0.9
175.02740	2.7
177.00729	25.4
177.04259	2.2
179.06941	1.1
185.01315	1.9
186.04364	1.3
186.99068	1.4
187.02870	2.3
188.12784	2.0
189.00711	4.3
189.04344	8.0
191.02264	2.2
191.05794	1.2
193.03809	2.3
195.01799	1.6
197.01178	2.1
201.00758	4.6
201.04367	2.2
203.02243	1.6
207.05373	2.9
213.04285	2.1
214.95328	1.1
215.02350	5.1
215.05894	1.4
217.03816	1.6
219.01791	33.7
219.05290	1.8
227.02127	1.4
227.06737	5.8
231.05392	4.8
233.03436	1.3
235.02811	2.7
236.02838	1.3
237.02841	41.5
243.05374	2.3
245.03406	1.8
247.04794	1.5
249.06567	1.6
253.03767	2.0
255.03850	1.9
259.11957	5.4
277.03592	1.3
279.03796	1.2
291.04208	2.1
291.07446	18.0
295.04898	2.6
302.12338	1.7
309.08609	35.7
317.05566	10.9
317.09329	1.3
321.08401	2.1
335.06525	13.8
351.09665	2.0
353.07675	1.3
358.08078	1.2
379.10693	1.1
381.10870	1.7
389.11337	1.4
415.08981	2.5
453.12701	3.4
510.25281	2.7
525.46521	1.0
569.17401	78.7
570.17761	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	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.05507	9.9
57.07060	13.8
67.05517	17.2
69.07079	17.4
70.06580	8.1
71.08604	3.7
79.05507	23.4
80.06277	3.7
81.07061	38.8
83.08633	7.9
85.06569	2.8
88.07636	7.7
91.05491	46.7
93.07046	54.4
95.04981	34.2
95.08617	32.2
97.06504	3.4
97.10156	3.2
102.09185	6.8
105.07039	90.5
105.07748	4.5
106.07787	5.1
107.08604	43.4
109.06499	5.0
109.10167	24.3
115.05465	4.0
117.07018	24.9
119.08588	100.0
120.09353	8.5
121.10146	29.5
123.08068	18.6
123.11682	7.3
128.06201	11.1
129.07018	21.3
130.07751	11.4
131.08583	50.8
132.09335	9.8
133.10127	53.4
134.10941	3.9
135.08061	5.9
135.11726	15.5
137.09602	6.1
138.10410	9.3
141.07016	5.2
142.07774	18.5
143.08565	42.8
144.09373	17.3
145.10132	83.1
146.10881	6.7
147.11725	28.2
149.09619	7.4
149.13235	3.4
154.07806	3.7
155.08554	13.5
156.03322	2.9
156.09358	13.3
157.10144	51.4
158.10907	11.5
159.11702	42.7
160.12505	6.9
161.09630	6.7
161.13318	8.3
165.06895	3.8
167.08563	9.7
168.09344	7.8
169.10165	24.5
170.10913	11.0
171.11731	39.6
172.12361	6.7
173.09671	3.7
173.13297	25.4
175.14825	17.7
177.12709	6.7
179.08508	7.5
180.09348	3.8
181.10120	19.4
182.10895	8.1
183.11720	31.9
184.12424	4.5
185.13258	25.5
186.14088	7.2
187.14865	15.9
189.12741	7.5
191.14278	12.0
193.10124	8.0
194.10963	7.3
195.11687	24.1
196.12411	7.7
197.13240	29.0
198.14066	5.0
199.14821	13.5
201.12634	3.9
201.16409	9.2
203.14255	5.8
207.11720	9.4
208.12460	7.2
209.13257	28.8
211.14822	16.8
213.16441	8.4
217.15869	8.8
220.12387	4.7
221.13261	11.2
223.14816	12.1
224.15602	4.2
225.16432	8.1
227.14207	4.0
235.14928	7.6
237.16354	8.5
239.17990	8.3
249.16431	7.0
251.17755	3.5
253.22250	3.1
259.14642	4.2
259.20566	4.1
265.19412	4.4
283.20554	5.0
283.26300	4.3
284.29507	12.5
311.29355	16.0
312.32635	6.7
323.23611	4.7
338.26114	39.8
424.00690	3.7
430.32343	14.7
473.81662	3.0
476.36584	20.6
568.43036	28.3
568.56641	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.3
53.03942	3.4
55.05518	10.5
57.07078	11.5
59.04995	2.3
65.03944	4.6
67.05507	17.9
69.07066	13.2
70.06590	2.7
71.08653	1.9
71.56451	2.1
77.03940	1.3
79.05494	20.1
80.06270	1.8
81.07061	29.3
83.04982	2.8
83.08620	5.9
85.06551	6.5
85.10199	1.5
88.07637	2.2
91.05484	45.4
93.07047	43.8
95.04965	4.5
95.08038	2.7
95.08611	32.0
102.09168	2.0
103.05446	3.4
105.04533	1.4
105.07034	72.6
106.07858	2.8
107.08597	45.2
109.06500	3.7
109.10155	17.4
111.08073	2.4
115.05461	6.2
116.06246	2.0
117.07018	22.6
119.08584	100.0
120.09407	8.4
121.10143	30.7
123.08038	3.7
123.11700	8.1
125.09663	2.0
128.06194	10.3
129.06996	17.5
130.07774	8.5
131.08572	46.7
132.09314	5.7
133.10135	47.8
134.10977	1.4
135.08057	4.0
135.11696	20.4
137.09630	5.0
139.11203	2.5
141.06978	7.0
142.07793	16.1
143.08565	37.5
144.09329	11.2
145.10127	67.4
146.10863	4.8
147.08070	1.8
147.11697	21.8
149.09601	5.8
149.13254	5.9
151.11177	1.8
151.14859	1.7
153.06953	3.2
154.07689	3.2
155.08572	15.9
156.09349	19.5
157.10138	48.2
158.10909	10.6
159.11688	42.8
160.12431	2.9
161.09636	2.9
161.13251	8.8
163.11160	4.3
165.07056	5.1
166.07771	2.4
167.08577	8.9
168.09346	8.4
169.10127	27.4
169.38490	1.3
170.10887	9.3
171.11688	34.4
172.12457	6.4
173.13271	33.4
174.13930	2.7
175.11252	2.1
175.14832	27.9
177.12730	4.9
179.08553	8.8
180.09323	5.3
181.10110	14.9
182.10939	7.4
183.11679	29.1
184.12451	5.9
185.13246	17.3
186.14139	3.0
187.11227	1.9
187.14819	15.4
189.12798	2.1
189.16428	1.3
191.14360	5.0
192.09314	2.6
192.15146	1.6
193.10091	11.5
193.15852	1.8
194.10934	10.9
195.11694	20.4
196.12463	9.0
197.13263	22.0
198.14026	4.2
199.14845	11.7
201.12758	5.9
201.16396	10.0
203.07025	2.2
203.14323	3.9
205.10139	1.6
205.15819	2.7
206.10863	6.3
207.11694	10.9
208.12468	6.1
209.13237	30.2
210.14006	5.5
211.14832	20.5
212.15787	2.1
213.16393	5.7
215.14281	2.4
217.15962	7.3
219.11758	4.4
219.17339	2.5
220.12433	2.6
221.13257	9.8
221.78856	1.5
222.14038	4.2
223.14774	14.0
224.15691	3.5
225.16466	7.6
227.14384	1.8
227.17900	1.9
229.15883	2.6
231.11661	2.4
231.17554	2.2
233.13249	6.6
234.13943	2.6
235.14732	9.7
236.15652	2.9
237.16389	10.8
239.17990	8.2
241.19522	5.1
243.17528	2.7
247.14803	6.4
248.15414	1.6
249.16382	6.2
251.17937	4.4
253.19498	3.2
254.20311	1.9
255.17400	4.6
257.18997	6.2
258.19797	1.7
259.14844	2.1
259.20593	4.0
260.15469	1.5
261.16418	5.2
262.17136	2.1
263.17947	4.5
264.18558	1.7
265.19547	9.0
267.17441	2.3
267.21143	1.7
269.18930	3.3
270.19724	5.0
271.20615	4.6
272.21304	6.4
273.16351	2.5
275.18018	4.8
277.19797	2.4
283.20560	9.1
283.26239	1.7
284.21280	2.0
284.29462	6.3
285.22089	2.7
287.18173	1.4
289.19421	2.1
293.19089	1.8
297.22137	4.6
303.21213	2.6
305.22601	2.3
309.22348	1.9
311.23697	2.6
311.29385	6.0
312.32458	2.2
321.22116	2.2
323.23709	4.1
347.23483	1.6
349.25262	3.2
357.26108	1.5
361.25375	1.9
362.26028	2.6
363.27158	1.5
364.27542	1.6
370.28421	3.2
375.26785	1.8
415.29700	2.4
458.35208	2.4
461.34241	2.9
476.36511	67.5
477.37125	1.9
568.42859	27.1
568.56537	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	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.05517	10.6
57.07059	5.8
59.04997	1.5
61.49586	1.2
65.03937	4.5
67.05507	17.2
69.03426	3.1
69.06784	1.1
69.07074	13.6
69.23363	12.0
79.05051	2.1
79.05495	23.5
80.06268	3.1
81.07062	34.2
83.04977	2.8
83.08607	5.4
85.06528	4.4
91.05487	43.3
93.07051	58.1
94.07838	2.0
95.04974	37.6
95.08618	29.8
96.06361	1.3
102.09191	1.4
103.05457	3.9
105.07037	90.6
106.07818	4.7
106.88946	1.2
107.08601	42.8
108.09375	2.1
109.06502	4.8
109.10168	19.9
111.08054	1.6
115.05451	5.8
117.07028	28.3
118.07822	1.7
119.04916	1.8
119.08588	100.0
120.09388	8.8
121.06490	2.8
121.10154	31.8
123.08068	14.9
123.11715	5.9
125.09633	2.5
128.06221	11.1
129.07018	19.8
130.07828	12.2
131.08578	55.3
132.09383	10.2
133.10138	56.7
134.10913	5.2
135.08080	6.8
135.11702	15.0
136.74750	1.2
137.09608	6.7
138.10420	6.5
139.11203	2.8
141.06978	8.1
142.07779	16.8
143.08572	36.5
144.09360	14.6
145.10130	89.2
146.10942	7.4
147.08032	1.7
147.11682	27.6
149.09610	5.1
149.13281	5.1
151.11203	2.7
153.06961	3.4
154.07787	3.5
155.08585	16.3
156.09355	16.9
156.19246	1.2
157.10135	53.8
158.10924	11.6
159.08171	1.8
159.10434	2.4
159.11696	39.3
160.12416	4.1
161.09613	5.6
161.13272	7.1
163.11194	5.8
163.14828	2.8
165.06985	4.5
166.07788	3.0
167.08533	10.2
168.09311	6.5
169.10144	25.3
170.10942	9.3
171.08064	1.4
171.11710	35.1
172.12482	8.5
172.13795	1.3
173.09683	1.3
173.13260	30.8
173.14694	2.6
174.13945	1.6
175.11217	2.1
175.14830	23.5
177.12743	5.7
179.08530	8.0
180.09343	4.0
181.10106	15.6
182.10925	10.3
183.11710	26.6
184.12473	6.4
185.09616	1.4
185.13258	26.7
186.14110	8.6
187.14847	14.5
189.12709	3.7
191.14314	8.4
192.09370	2.9
192.15083	3.3
193.10123	10.1
194.10927	10.2
195.11684	15.2
196.12477	7.1
197.13251	27.8
198.14000	7.1
199.11113	2.8
199.14836	11.5
200.15562	1.5
201.12695	2.3
201.16350	8.8
203.14278	2.0
205.10161	2.4
205.15802	2.0
206.10931	3.5
207.11656	8.7
208.12482	5.4
209.13261	24.6
210.14049	3.5
211.14819	17.1
212.15460	1.7
213.12560	1.3
213.16418	6.7
215.14218	2.8
217.15866	7.0
218.16505	1.6
219.11751	3.3
219.17361	2.2
220.12465	3.7
221.13315	8.4
222.13989	4.0
223.14824	12.7
224.15619	5.8
225.16345	9.4
226.17220	3.1
227.17921	1.8
229.15883	2.2
232.12440	1.8
233.13226	3.7
235.14824	8.5
237.16365	8.9
238.17058	2.2
239.18001	5.5
241.19508	3.8
245.13248	2.3
245.19189	1.2
247.14841	4.1
249.16405	4.6
251.17944	4.7
253.16049	1.5
253.19458	2.5
255.17546	1.8
257.18893	2.8
258.19662	1.5
259.14792	1.8
259.20615	2.5
261.16299	3.6
262.17053	1.8
263.17917	5.8
265.19455	3.4
267.20941	2.4
269.19028	1.5
272.21469	1.5
273.16455	2.9
275.18030	3.2
277.19583	3.0
279.21072	2.1
281.19073	1.7
283.20557	5.0
284.29346	2.1
285.22037	3.4
289.19257	2.4
295.20322	1.7
296.21417	1.4
296.34808	1.3
297.22092	4.0
303.95636	1.3
305.22504	3.2
309.21872	1.4
323.23688	7.8
324.24554	1.4
337.25345	2.3
338.26059	44.2
351.26675	2.1
415.30103	2.4
420.30502	1.6
430.32401	13.7
458.35559	1.8
476.36523	15.6
568.42932	24.6
568.56604	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38061	2.0
53.03957	5.5
55.05517	17.8
56.99491	2.6
57.07063	6.9
65.03950	4.3
67.05506	32.1
68.02700	2.5
69.03448	3.4
69.07062	22.5
69.35645	2.9
70.74539	7.6
79.05500	23.5
79.29234	2.6
81.07065	43.5
83.08613	9.4
85.06525	7.3
85.10130	3.0
91.05482	45.0
93.07050	51.3
95.04981	5.2
95.08615	40.1
97.10189	3.0
99.39995	2.2
103.05464	6.3
105.07038	68.2
107.08601	59.4
109.06498	4.4
109.10177	32.7
115.05433	3.7
116.06219	3.3
117.07049	18.3
119.08585	100.0
121.10154	44.9
123.08076	4.9
123.11679	11.9
123.78551	2.2
128.06235	7.6
129.07002	12.9
130.07774	7.2
131.08572	42.1
133.10136	53.6
135.08076	4.8
135.11693	30.3
137.09633	5.1
141.06967	5.3
142.07761	15.1
143.08571	28.4
144.09348	4.8
145.10124	65.7
147.11685	19.2
149.09662	5.6
155.08566	13.8
156.09361	11.3
157.10149	42.9
158.10883	4.1
159.11697	41.9
161.13266	11.7
163.11214	4.5
165.06981	5.6
166.07730	3.0
167.08557	8.3
168.09338	6.9
169.09201	2.1
169.10191	22.1
170.10916	7.3
171.11705	29.5
172.12444	4.2
173.09506	3.6
173.13292	29.3
175.14836	22.0
177.05518	3.0
179.08601	11.9
180.09367	3.3
181.10091	12.4
182.10953	6.1
183.11685	21.6
184.12531	4.9
185.13293	18.8
186.13959	3.2
187.14804	20.7
189.12816	3.5
192.09393	4.3
193.10155	16.4
193.16039	3.7
194.10942	9.1
195.11720	24.6
196.12476	7.0
197.13266	26.4
199.11070	3.1
199.14842	17.3
201.12715	3.1
201.16405	19.3
203.07024	13.0
204.07404	2.5
205.10176	3.6
205.15846	4.0
206.11003	4.3
207.11771	14.9
208.12442	3.7
209.13255	25.5
211.14847	16.5
213.12917	2.8
213.16408	7.1
217.10056	3.2
217.15907	8.3
219.11584	5.6
219.17447	13.8
220.12497	3.8
221.13322	15.1
222.14003	4.3
223.14799	11.9
225.16318	5.2
227.18028	3.4
229.15854	5.3
231.11713	6.1
231.17470	7.0
233.13266	7.9
235.14896	10.5
237.16399	6.6
239.17934	6.3
241.19458	5.7
245.13289	4.2
246.14166	4.5
247.14835	9.1
248.15659	2.6
249.16452	7.5
251.18033	4.4
253.19513	6.1
257.19025	3.9
258.13876	2.9
259.14835	4.2
259.20645	5.1
261.16333	7.7
263.17993	4.6
265.19589	7.8
269.18781	4.2
271.20587	3.5
275.17953	7.5
277.19489	6.4
281.19098	2.7
283.20523	4.8
285.22089	3.2
287.17847	4.2
289.19623	3.2
293.18863	5.3
295.20590	13.0
297.22040	3.1
309.22266	5.0
331.24200	4.0
332.51505	2.8
335.23795	4.8
337.25455	4.5
343.24072	3.5
349.25223	12.0
361.25171	9.6
379.11707	5.5
475.35675	18.0
536.27039	3.0
549.40845	24.7
567.27924	4.6
567.41986	69.7
589.51465	2.7
594.91418	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	567.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
55.05497	17.3
57.07055	11.9
57.20812	3.7
65.03957	5.4
67.05508	41.8
69.03417	6.0
69.07060	34.0
70.65458	13.5
79.05490	33.6
81.07059	48.8
83.04964	5.4
83.08611	10.0
85.06583	4.2
91.05480	50.9
93.07055	68.8
95.04957	12.9
95.08606	57.0
103.05469	6.7
105.07036	85.7
105.07749	5.2
107.04964	4.4
107.08595	84.1
109.06493	8.8
109.10158	63.5
110.10539	5.3
111.87903	3.6
117.07007	17.9
119.07784	7.4
119.08588	100.0
121.06532	12.9
121.10158	87.9
123.08089	10.6
123.11698	27.7
125.09627	5.5
128.06136	7.5
129.07004	14.5
130.07765	9.4
131.08577	41.7
133.10130	87.6
135.08012	7.9
135.11711	69.6
137.09549	5.7
141.06940	8.8
142.07785	13.7
143.08565	30.3
144.09349	5.2
145.06381	5.8
145.10144	85.5
147.11697	32.1
149.09639	8.5
149.13249	12.1
153.06984	6.6
155.08614	20.6
156.09332	15.5
157.10138	60.8
159.08031	8.0
159.11713	50.8
160.12164	4.2
161.09604	6.6
161.13274	12.2
163.11174	6.5
165.06987	6.4
167.08565	13.5
168.09265	6.4
169.10109	23.9
170.10909	7.3
171.11682	29.5
173.09581	5.5
173.13284	38.1
175.14804	43.8
177.05489	12.0
178.07806	5.5
179.08524	9.5
181.10150	17.9
182.10962	9.1
183.11679	26.3
185.13313	19.8
187.11194	5.7
187.14827	33.8
189.12703	8.3
189.16458	7.1
193.10120	16.8
193.15779	6.3
194.10878	7.2
195.11737	26.7
196.12402	6.1
197.13335	30.1
199.14798	17.6
201.12718	5.2
201.16406	20.6
203.06990	23.2
205.04977	18.2
205.10185	5.3
207.11687	18.7
208.12480	6.4
209.13271	30.4
211.14818	15.7
213.12827	4.6
213.16394	19.2
219.11751	5.9
221.13275	15.9
223.14882	21.8
225.16374	8.5
232.12401	6.2
233.13217	14.3
235.14824	15.2
237.16360	10.9
239.17911	7.8
243.10039	7.7
245.13281	8.4
246.13982	6.0
247.14882	11.9
249.16388	9.6
251.07109	5.6
257.19022	7.6
259.14819	8.0
261.16406	12.6
263.17914	8.1
265.19519	11.8
267.21036	10.4
267.37668	4.0
275.18018	7.9
277.19266	7.3
279.21069	4.5
283.14957	5.7
283.20520	7.3
289.19620	7.0
293.19165	5.1
309.22162	5.1
335.23508	4.6
361.25143	12.1
373.25162	7.5
375.26410	4.7
411.30551	6.0
415.29666	7.0
429.31354	11.8
468.87753	4.8
549.26788	7.0
549.41010	39.4
567.27295	11.5
567.41870	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	567.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.4
55.05526	10.4
55.64516	2.0
56.96561	2.9
57.03434	2.4
57.07082	4.5
61.10555	2.0
67.05515	16.1
69.07079	12.6
71.01358	13.8
71.57455	1.9
75.04491	3.8
79.05503	7.8
81.03408	2.4
81.07060	34.0
83.08618	8.3
85.02915	17.8
85.06577	2.1
91.05490	16.1
93.07056	27.8
95.04977	4.6
95.08616	71.0
97.10187	4.4
98.97627	2.4
99.04456	2.0
101.02388	26.0
105.07033	31.8
107.04969	3.3
107.08598	39.3
109.06522	3.0
109.10164	35.1
111.08093	15.5
111.11713	4.9
117.07061	5.2
119.08587	37.3
119.09433	2.5
121.10151	29.0
123.11690	15.4
127.03935	27.1
129.07063	3.4
131.08580	9.9
133.10118	24.9
135.11708	19.5
137.02357	8.2
137.13258	3.8
143.08614	4.1
144.09305	2.7
145.04976	23.2
145.10120	13.9
147.11725	20.6
149.02391	6.3
149.13281	19.9
151.03889	3.7
151.11200	2.9
151.73154	2.1
154.02696	2.3
155.08553	2.9
157.10202	5.3
159.11703	17.1
161.06052	3.1
161.13277	16.6
163.14827	12.6
164.04686	10.1
167.03413	3.8
171.11694	3.4
173.13310	9.0
175.14871	12.8
177.16403	15.5
178.68535	2.7
179.17931	2.7
183.11711	2.8
185.13264	4.7
187.07506	2.1
187.14799	10.4
189.16364	16.3
191.17981	6.8
193.15981	3.0
197.06039	5.4
199.07591	3.2
199.14862	4.1
200.04735	4.5
201.16422	26.1
203.07077	6.6
203.17953	21.3
205.16010	7.4
205.19559	4.6
207.17491	5.1
213.05504	14.6
213.09081	5.7
213.16400	6.0
214.06218	3.4
215.17999	9.0
217.19543	13.6
219.17581	3.0
225.05608	3.2
226.06262	3.9
227.18025	6.0
228.04189	5.5
229.19580	8.2
231.21228	3.5
233.18953	2.7
237.05470	5.2
239.03421	16.8
240.04303	2.2
240.07886	4.6
241.05081	6.9
241.19586	2.6
243.06445	3.8
243.21094	4.6
252.04218	2.9
253.05077	7.4
254.05829	5.6
255.06560	12.2
255.21080	5.1
257.04672	2.6
257.22809	4.7
265.04861	3.1
268.03644	4.3
269.04556	14.2
269.08170	56.3
269.10892	2.9
269.22742	6.3
270.05280	10.2
270.08331	4.4
271.06079	7.0
283.05966	16.6
283.24390	2.8
284.03574	4.1
284.06851	14.2
285.07578	25.4
285.22134	2.3
299.05444	15.6
300.06345	22.8
305.04810	2.6
320.62167	2.2
365.32236	3.7
405.35449	2.9
423.36237	53.5
451.35623	2.6
540.81580	2.3
555.40375	2.3
567.12970	100.0
568.13208	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	567.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41894	0.4
57.03435	0.7
59.27173	0.4
60.76025	0.5
65.40198	0.4
67.05491	1.1
69.07064	0.8
70.81850	1.2
71.04992	0.6
75.00136	0.4
79.05489	1.3
79.17509	0.4
79.61544	0.5
81.03412	2.1
81.07043	1.2
83.04970	0.7
83.08622	0.5
85.02898	1.0
91.05492	2.1
93.07025	1.1
95.04967	1.4
95.08599	0.7
105.07037	1.4
107.08566	0.5
109.06528	0.6
113.25552	0.5
119.08611	1.7
121.10168	1.1
123.08095	0.5
128.96423	0.5
129.06975	0.6
131.08571	0.9
133.10115	0.8
147.11720	0.7
175.11229	0.7
192.87836	0.5
193.12274	0.7
233.11583	0.7
251.12485	1.5
283.15204	10.7
285.17111	0.6
307.15234	1.0
339.17673	5.3
392.37741	0.5
567.31439	100.0
568.32025	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05500	0.5
57.03416	0.9
60.24557	0.5
67.05508	1.1
69.80892	2.5
69.81245	0.9
71.04977	0.9
74.73008	0.5
76.88146	0.5
79.05484	1.2
81.03423	1.6
81.07059	1.0
83.04957	0.5
83.08648	0.5
85.02889	1.2
91.05474	1.9
93.07039	1.3
95.04969	1.2
95.08615	0.6
95.13231	0.5
105.07033	1.6
107.08642	0.5
111.08111	0.5
119.08588	1.2
119.47910	0.4
123.08103	0.5
131.08589	0.8
133.10141	0.9
133.37097	0.5
147.11729	0.8
149.09633	0.6
157.10172	0.9
180.02553	0.7
189.03098	0.6
191.07060	0.9
193.12309	0.7
203.02872	1.0
213.50810	0.5
229.05060	0.5
233.11572	0.8
241.08739	0.6
251.12527	0.9
253.05023	1.8
257.08151	0.6
267.06619	0.8
269.04581	0.6
271.04605	0.7
275.02130	0.7
283.06152	1.0
283.15158	10.1
285.04727	0.6
285.07672	2.3
298.05090	0.7
303.04144	0.8
304.05057	3.5
307.15335	1.3
310.53568	0.8
313.07352	4.5
317.03613	1.0
318.04712	2.8
318.55139	0.8
319.54025	0.8
327.05200	1.1
332.04440	13.8
332.54550	3.7
333.07092	1.0
339.17847	5.7
339.55649	6.1
340.05902	1.4
341.05038	10.9
341.55215	2.4
343.11819	3.3
347.06790	6.6
347.57114	1.6
348.56180	1.4
349.06406	0.7
352.55884	2.2
354.10291	1.9
354.57886	4.6
355.08167	1.5
356.07318	5.1
356.57425	0.7
359.04385	2.1
362.09113	33.4
362.59250	7.5
363.09540	0.9
363.58475	1.0
367.58093	1.2
369.02823	0.8
371.09674	13.0
371.59747	3.3
372.01648	1.1
382.60526	5.1
383.10599	1.2
387.03876	1.4
390.02563	0.8
402.51334	0.7
419.22961	0.6
567.31458	100.0
568.31775	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25261	0.7
56.96569	0.6
67.05509	1.6
69.03453	1.1
69.07071	0.8
70.17074	1.1
70.17466	1.2
75.69697	0.7
79.05522	0.9
80.38391	0.7
81.03429	0.8
81.07063	1.3
85.02905	1.4
89.03933	1.2
91.05483	2.7
93.07041	1.3
95.04965	1.4
95.08614	0.9
103.05449	0.9
105.03410	1.2
105.04565	0.7
105.07045	1.0
107.04940	1.0
107.08586	1.2
109.02916	0.9
115.05436	0.7
117.03429	1.0
117.07020	0.7
119.04964	2.3
119.08597	1.0
120.80426	0.6
121.06527	2.3
123.04475	0.8
128.06224	0.8
129.07068	0.7
131.04997	1.4
133.02887	1.6
133.10135	0.9
134.03651	5.4
135.02487	0.7
135.04388	1.0
137.02345	0.8
137.05952	4.5
141.07019	0.8
142.04175	1.9
146.03636	0.8
147.04422	1.7
148.05228	0.9
149.06026	1.5
151.03926	2.9
152.18837	0.7
153.01848	5.1
155.04945	0.6
156.70309	0.7
157.06662	0.9
159.04434	1.6
161.02383	1.9
165.05486	6.1
167.03484	3.5
167.04729	0.9
167.07098	1.0
169.06554	0.8
170.03624	3.3
171.02927	1.5
171.04359	1.0
174.06822	1.3
175.03966	2.6
177.05487	1.4
179.03397	1.4
181.04958	1.4
182.05737	3.3
184.03708	1.6
184.05197	0.9
185.05966	4.1
187.03925	3.8
188.63225	0.7
192.04263	0.9
193.04959	7.6
194.05789	2.5
197.06279	1.0
197.08055	5.4
198.03163	2.4
199.03983	1.7
199.07570	0.7
201.05582	0.8
202.06284	4.5
207.06552	3.6
212.04716	3.0
213.05487	4.7
215.03479	2.9
216.07887	0.8
217.08667	3.6
221.04433	3.8
222.05197	0.9
225.05557	1.3
225.07605	2.0
226.02611	1.0
227.07137	1.0
229.04982	1.6
230.05763	8.2
240.04298	1.6
241.05011	4.4
242.05873	0.9
243.02991	1.9
243.06543	2.4
244.07393	2.2
245.08112	1.0
253.05016	2.1
255.06580	3.0
256.07275	0.9
257.04642	1.9
257.08395	0.9
258.05246	5.5
259.09738	0.8
267.02948	0.9
268.03723	2.5
269.04434	3.7
270.05093	1.2
271.02478	1.3
271.06000	1.5
272.06879	1.6
273.07584	6.4
283.06049	3.0
285.03964	2.2
285.07629	3.5
286.04755	12.4
297.03821	1.3
297.07004	0.9
299.05457	3.3
300.06302	17.0
301.07074	64.2
302.07611	0.7
313.07071	6.8
314.04199	1.8
314.07944	2.5
315.08633	66.1
316.09128	1.1
329.06561	79.4
330.06964	1.3
341.06674	0.8
447.10971	0.7
535.12512	10.1
567.14966	100.0
568.15149	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	566.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.6
71.58005	1.7
78.99365	1.1
96.24272	1.1
98.39632	0.9
106.04243	1.8
106.50922	1.0
107.01316	1.0
145.02893	1.1
147.07988	1.4
151.03932	2.0
171.02116	1.2
176.95035	1.2
180.02594	2.6
189.03110	3.6
192.07365	1.2
214.06096	1.2
229.04883	1.7
241.04997	1.8
241.08607	1.1
242.73087	0.9
253.05023	4.6
257.08023	1.8
267.06537	3.7
269.04303	1.8
270.03799	1.2
274.04279	1.2
275.02435	3.1
283.05887	2.2
285.04404	2.2
285.07614	5.2
295.05844	1.3
295.52975	1.2
295.72705	1.0
298.02823	1.4
301.03726	1.1
303.04178	4.8
303.54578	2.8
304.04938	14.2
304.55145	2.9
310.53479	2.9
312.04709	3.2
313.07428	10.9
316.53577	1.5
317.03674	2.3
318.04721	8.6
318.55075	1.4
324.53055	1.4
324.56531	1.5
325.07129	3.3
327.05139	7.8
332.04425	52.0
332.54688	7.7
335.04504	3.3
338.56006	1.9
339.55670	20.4
340.05847	3.4
341.05054	35.9
341.55002	6.9
342.07901	1.5
343.11786	9.5
345.02563	1.3
347.06815	25.9
347.56903	4.8
348.55960	6.3
352.55746	10.4
353.06027	2.0
354.57968	16.0
355.08041	3.4
356.07294	15.6
356.57489	2.2
359.04324	9.0
360.07019	2.2
362.09122	100.0
362.59265	24.5
363.09372	2.0
363.58420	2.8
364.08679	1.8
367.58151	4.9
371.04987	2.2
371.09689	40.0
371.59839	8.6
372.01505	3.3
375.09274	2.0
382.60489	27.3
383.10413	7.9
387.03983	4.6
390.02707	2.4
396.10547	6.4
405.10812	2.8
416.61710	1.5
501.10660	2.5
566.20300	1.7
567.13928	1.3
567.31293	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	565.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.7
65.37161	3.7
66.64783	3.1
67.05498	18.8
69.07066	10.2
71.58203	5.4
79.05481	10.0
81.03413	4.6
81.07049	15.2
83.04984	3.6
85.06545	4.2
91.05489	18.2
93.07040	22.7
95.04957	5.3
95.08578	9.4
96.51267	3.7
99.04517	3.9
99.08065	5.3
105.03435	4.4
105.07028	16.6
107.08634	18.9
109.02869	4.9
109.10178	24.0
115.89021	3.2
117.07038	4.7
119.08585	14.0
121.10148	9.9
123.08098	4.1
123.11791	3.5
124.60748	4.0
128.06238	4.5
129.06976	6.9
131.08524	8.6
133.10123	12.0
135.11676	15.0
141.06944	6.8
143.08524	8.9
145.06499	4.1
145.10147	7.0
147.04359	4.1
147.11716	8.5
151.11160	3.8
153.05492	5.4
153.06911	5.1
155.08562	9.7
157.10094	7.9
159.08092	4.5
159.11700	7.6
161.02367	8.8
169.10037	6.8
171.07990	6.8
171.11717	6.3
175.07439	7.0
179.08548	5.2
181.10071	5.2
185.13283	10.6
187.07526	4.7
195.11681	6.3
197.09561	5.8
203.07048	100.0
215.10855	4.5
225.09221	4.4
227.07178	6.1
229.08704	4.7
241.12288	5.7
243.10205	33.3
253.15816	11.3
255.13869	6.8
269.08121	4.1
273.14819	4.4
281.15265	6.8
313.17871	6.5
433.16415	4.5
440.17883	3.6
441.37280	4.3
455.22079	7.6
483.21701	13.7
515.24182	12.9
565.41968	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	565.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
57.03427	0.5
61.07150	0.4
69.03432	1.9
70.72538	1.0
73.02918	0.5
81.03426	1.6
85.02911	5.7
97.02898	3.7
98.20823	0.5
99.04461	4.8
103.03950	5.4
109.02898	2.9
115.03897	0.5
127.03926	100.0
128.04329	0.7
135.16707	0.5
142.88617	0.4
145.04961	4.7
163.06044	1.3
187.06027	0.4
190.87109	0.4
250.71416	0.4
271.08234	1.0
289.09201	0.6
295.06161	1.0
295.16211	0.4
307.06305	0.6
307.10046	0.5
325.06992	0.5
353.53693	0.4
379.08060	0.5
391.08173	0.6
409.09219	0.9
427.10303	1.2
433.13458	1.3
481.11441	0.6
494.12650	0.4
511.12595	0.7
578.77850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17579	0.8
53.03941	2.2
53.41513	0.8
55.01858	3.1
55.05515	1.1
57.03434	1.7
60.69963	0.8
61.02921	1.6
61.03210	0.8
65.03922	0.9
68.99798	2.1
69.03119	0.9
69.03432	9.0
70.06582	2.4
71.04989	1.6
71.58385	1.4
73.02903	2.4
79.05476	2.7
80.04981	1.0
81.03421	10.6
81.07050	1.4
81.41988	0.8
85.02415	1.4
85.02909	19.1
87.00825	7.0
87.23692	1.0
91.05483	2.0
93.07038	1.5
95.04967	1.0
95.08606	1.2
97.02901	5.1
99.04446	3.6
101.02399	1.0
105.01863	5.0
105.07037	1.7
107.04916	1.8
107.08588	1.1
108.04477	4.4
109.02909	9.0
110.03656	2.3
117.03395	0.9
121.02863	1.2
121.10182	1.3
125.05975	1.5
127.03940	10.7
134.06027	1.5
135.04385	1.9
137.05933	1.9
138.03122	12.8
145.02873	1.4
145.04979	4.4
147.02811	1.2
149.05965	1.6
150.03201	0.8
151.03981	1.1
153.01810	2.6
153.05472	100.0
159.02856	3.4
162.03113	2.3
163.03822	1.6
164.07092	1.4
165.05489	1.6
167.07059	2.6
177.05490	9.1
191.06964	1.1
195.06494	5.9
197.05948	0.9
201.05513	1.6
207.06476	1.1
219.06503	3.0
225.05515	1.3
239.07100	1.1
249.05424	1.2
253.04893	1.3
255.06683	1.0
261.07590	2.2
267.06339	0.9
271.05988	1.7
274.04648	0.9
283.06146	1.3
283.09665	1.4
285.04532	1.0
285.07437	4.8
287.05643	1.1
295.06006	1.8
300.06308	2.3
301.06638	1.8
302.04175	5.3
302.07062	1.9
304.52435	0.8
307.06094	1.8
309.07370	2.0
315.08636	6.4
316.09018	3.8
317.06512	23.1
317.09897	10.1
321.07602	1.1
323.09073	1.1
325.07068	2.2
337.07047	1.9
341.10193	2.4
349.06903	1.2
351.08572	2.3
359.11230	2.8
379.08200	2.4
383.11398	1.4
407.11285	1.6
409.09064	2.3
425.12067	1.6
511.11826	1.5
529.13251	1.1
566.25458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.156
Annotation	Apiin
Peak:m/z	Relative Intensity
55.01873	0.2
55.05505	0.2
56.05032	0.2
57.03439	0.4
61.02931	0.2
63.89143	0.1
67.01854	0.4
68.99788	0.4
69.03442	0.9
69.03751	0.2
69.07063	0.3
69.55278	0.9
72.08147	0.4
79.05515	0.2
81.03407	0.3
81.07050	0.3
84.08147	6.9
85.02911	0.8
85.06504	0.2
87.04449	0.6
90.91018	0.2
91.05477	0.6
93.07056	0.2
95.03018	0.2
95.04986	0.3
97.02876	0.8
97.06520	0.2
107.08607	0.2
109.02840	0.2
110.09702	0.2
111.04430	0.2
115.03956	0.3
119.04942	1.7
120.08112	0.4
121.02902	1.1
121.06520	0.3
127.03911	0.2
129.10249	0.3
130.08627	0.5
133.04955	0.2
135.11681	0.1
137.06033	0.3
138.09193	0.3
145.02837	0.6
146.06042	0.3
147.11270	0.2
153.01843	3.9
163.03923	0.4
166.04974	0.2
166.08641	0.4
167.07043	0.3
171.02953	0.4
172.04021	0.4
177.05441	0.5
187.03911	0.3
203.07059	0.3
204.06593	0.9
225.05539	0.2
235.53943	0.2
243.06596	0.4
271.06024	100.0
272.06342	1.6
276.27911	0.2
283.06131	0.2
295.06229	0.8
302.07053	0.2
307.06039	0.3
309.07623	0.2
313.07147	0.4
315.08774	0.5
316.08801	0.3
317.06412	0.2
317.09863	0.8
321.07553	0.3
325.07065	0.6
333.07755	0.3
337.07031	0.7
340.24820	0.3
341.28214	0.2
347.46335	0.2
349.06924	0.2
351.08795	0.2
357.14453	0.2
367.08151	0.3
379.08234	0.7
391.07983	0.5
400.12286	0.2
403.27994	3.5
409.09659	0.4
427.10303	0.6
433.11377	6.7
434.12006	0.2
434.91364	0.2
445.11197	0.2
457.11053	0.2
493.11465	0.3
511.12540	0.5
529.13116	0.4
579.00525	0.2
579.09473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33619	2.1
61.02920	3.0
69.81393	4.5
69.81802	8.5
70.23904	2.5
78.59184	1.9
79.41949	2.0
83.44332	2.0
85.02901	5.5
98.21394	3.5
100.55915	2.6
107.04981	2.4
109.02882	3.0
119.04910	10.3
121.02877	40.4
145.02838	4.5
147.04370	3.2
154.76611	2.4
161.02254	2.3
169.18259	2.4
171.04114	2.2
173.02449	2.8
177.01852	6.1
187.04089	2.3
189.01820	9.2
191.03351	5.5
195.02908	6.6
203.03459	13.5
207.02861	5.8
215.03415	6.9
219.02895	5.1
221.04425	3.2
229.05104	4.3
243.02780	4.5
255.03114	5.2
267.06378	3.0
268.07370	5.1
271.78424	2.4
279.06390	4.2
280.07211	2.3
281.08142	6.1
283.06067	8.1
284.06561	3.7
285.04272	3.1
294.05255	23.0
295.06030	84.3
295.09195	3.6
296.06781	6.1
297.07599	8.0
305.08234	2.9
307.06021	61.6
307.09518	3.2
308.06720	16.7
309.07657	17.7
313.07220	5.0
317.08182	3.8
319.05994	7.1
320.06934	3.8
321.04169	2.2
321.07602	35.2
322.08377	10.7
323.09036	4.6
325.07068	100.0
333.07556	20.4
334.08102	2.8
335.05585	4.7
335.09113	12.4
336.05930	3.8
337.07077	65.7
337.11093	4.6
345.07578	4.0
346.08218	3.0
347.09195	13.4
349.07071	41.5
349.10776	1.9
350.07626	3.7
351.08627	29.0
355.08301	10.7
361.07086	21.2
363.08533	7.6
365.10135	7.8
367.08087	8.5
373.06940	7.4
374.07666	2.7
375.08844	10.3
377.10251	3.9
379.08133	93.3
380.08304	2.8
385.06998	9.0
387.08600	5.1
389.10400	4.1
391.08255	28.2
393.09738	3.2
397.09247	51.4
401.10440	3.5
403.08167	27.5
405.09662	7.1
409.09213	32.5
415.10544	12.5
417.09641	3.9
419.11414	6.2
421.09186	17.1
427.10370	24.9
429.09805	2.9
433.09045	14.1
439.10327	14.9
445.11322	21.5
451.10245	26.4
457.11368	33.9
469.11319	29.7
475.10092	8.7
481.11298	24.2
493.11267	25.4
499.12384	17.2
509.16104	2.9
511.12384	29.3
529.13422	34.3
547.14532	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	565.1554
Annotation	Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01878	3.8
61.02922	3.2
70.89632	1.5
70.89993	3.3
85.02904	4.3
91.05483	2.1
103.03927	3.7
107.04959	4.1
119.04948	10.2
121.02881	46.3
135.04359	2.6
138.37721	1.7
145.02853	6.3
147.04393	1.8
147.58948	1.5
149.05956	1.8
159.04430	2.8
161.02315	1.7
163.03918	2.1
171.04396	2.2
175.03938	2.9
177.01756	3.8
179.03404	4.0
187.03908	4.0
189.01860	9.6
191.03401	4.4
195.02884	5.9
199.03807	1.5
201.01921	2.0
201.05510	2.2
203.03403	13.4
205.04942	1.9
207.02841	7.0
215.03325	8.6
217.04935	8.1
219.02934	4.6
221.04523	1.7
227.03416	3.1
229.04916	2.1
231.02919	2.9
233.04570	2.2
241.05008	2.2
243.02986	4.5
245.04379	2.4
267.06479	2.5
268.07227	5.3
269.04486	1.8
279.06525	6.0
280.07071	4.2
281.08060	4.0
283.05911	6.0
292.07275	3.3
293.08069	4.5
294.05212	14.0
295.06027	75.7
296.06711	7.7
297.07556	7.3
305.08069	3.7
306.08923	2.7
307.06042	46.5
307.09363	1.6
308.06799	14.2
309.04123	2.7
309.07550	18.6
313.06998	4.0
317.08026	4.7
319.05933	7.9
320.06818	9.3
321.03894	3.0
321.07578	37.9
322.08344	5.9
323.05624	3.4
323.09152	5.8
325.07053	58.8
329.08093	5.4
333.07626	22.1
334.08359	5.3
335.05515	2.4
335.09192	21.6
336.06390	5.2
337.07059	57.5
339.08658	5.6
345.07516	15.4
347.09280	6.1
349.07068	42.3
349.11185	2.0
350.07718	2.1
351.04819	2.4
351.08676	21.9
355.08179	11.8
359.09256	2.4
361.07080	27.1
361.11200	2.9
362.07571	3.7
363.08585	29.4
367.08005	6.7
373.07004	12.9
373.10794	1.7
375.08905	7.7
379.08133	57.5
387.08749	6.2
389.10287	4.3
391.08109	55.6
399.08374	1.8
401.10123	3.6
403.08075	5.6
409.09219	91.6
410.09445	4.7
415.08136	6.1
417.09607	3.7
421.09122	4.8
427.10278	100.0
428.10550	3.6
429.09827	1.8
433.09348	9.0
439.10071	3.8
445.09641	6.3
457.11154	9.1
463.10150	7.1
475.11044	9.1
481.11319	23.7
493.11142	13.0
499.12381	13.2
511.12347	63.3
512.12720	3.7
529.05945	2.6
529.13422	28.2
547.14594	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	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53440	7.2
53.03938	7.8
55.01874	12.8
55.05516	34.9
56.96555	10.5
57.03437	39.1
61.02921	16.1
67.05506	91.3
69.03416	19.7
69.04729	8.0
69.07066	23.9
69.66805	46.8
71.04993	9.0
73.02920	14.2
79.05487	94.2
81.03407	31.1
81.07056	82.9
83.04985	14.6
83.08620	18.0
85.02915	35.8
85.06532	14.6
91.03928	9.7
91.05484	95.7
93.07056	82.1
95.04942	20.7
95.08603	56.8
97.02905	19.9
97.06537	18.0
97.10165	16.3
98.21470	14.5
99.08083	10.6
103.05445	9.3
105.07038	81.0
105.37047	7.1
107.04968	15.8
107.08591	51.8
109.06499	12.8
109.10150	42.8
111.08051	11.5
117.06989	41.0
119.08592	55.3
121.06507	16.5
121.10126	32.9
125.09621	15.5
127.03883	8.1
129.06999	28.4
131.04944	17.9
131.08604	39.8
132.05220	8.6
133.10110	36.9
135.11674	18.6
137.05945	11.2
143.08534	16.8
145.10144	60.5
147.11699	31.2
149.09700	16.2
149.13225	10.9
157.10092	22.0
159.11671	47.4
161.09454	10.7
161.13248	15.1
163.03784	8.6
163.11140	18.8
169.10170	11.7
173.11807	9.7
173.13243	23.4
173.46753	6.7
175.11241	9.5
177.12677	7.7
179.14458	7.3
183.11674	16.2
185.13235	18.0
191.07076	10.6
193.12288	13.8
195.17589	6.6
203.14282	12.6
211.13162	11.0
211.14990	8.4
219.17455	15.5
227.12849	10.6
229.14394	34.2
239.17908	26.3
255.15878	15.6
257.19040	38.9
269.17322	17.4
275.20059	72.1
281.08157	9.1
284.50436	7.7
295.06064	13.2
309.20538	9.4
310.08408	10.5
313.07407	11.9
313.10608	53.0
314.07321	10.6
314.10883	8.4
341.10187	58.8
349.23761	100.0
367.24695	16.2
542.04449	7.5
564.24164	8.8
565.18726	8.3
565.26331	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	565.119
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03952	2.3
54.59437	0.3
55.01876	1.7
57.03425	1.3
61.02908	1.1
68.99781	0.8
69.03427	6.7
69.60574	0.3
71.04974	0.9
73.02924	1.5
81.03418	8.5
85.02906	12.2
85.03421	0.6
87.00829	5.5
90.90395	0.3
91.03952	0.6
92.02616	0.9
93.03396	1.0
97.02894	4.5
98.20702	0.6
99.04438	2.4
105.01864	3.0
109.02883	6.3
117.01843	0.9
121.02852	0.7
127.03921	8.6
129.01819	1.0
137.02417	0.4
139.03879	0.8
145.04958	3.1
147.02902	0.6
149.02344	0.4
151.03929	0.8
153.01830	7.3
159.02911	4.0
173.32640	0.3
177.05542	0.5
189.19879	0.3
200.20728	0.3
201.05502	0.6
204.04172	0.3
213.03854	0.3
213.38811	0.3
217.05009	0.9
218.05753	0.5
221.73904	0.2
228.04144	1.0
229.04984	3.0
231.05035	1.0
245.04485	0.9
246.05321	1.5
257.04425	2.6
260.03116	0.5
271.06061	0.5
273.03940	1.6
274.04718	4.2
285.03964	3.8
287.02493	0.5
287.05490	3.4
302.00699	0.6
302.04221	11.1
310.35172	0.3
315.08698	0.4
317.06564	100.0
318.06845	0.7
357.46918	0.3
360.39835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22866	3.7
50.82295	4.2
53.03955	5.3
54.87503	4.4
55.05512	7.5
57.83038	4.2
67.05495	13.4
69.07066	13.5
71.16824	8.7
71.17154	4.9
72.08186	10.1
72.20565	3.8
78.49736	4.3
79.05491	18.1
81.07064	22.8
86.06080	4.4
91.05470	15.7
92.05805	4.4
93.07043	31.7
95.08595	12.3
101.78549	4.2
105.07034	8.0
107.04901	4.4
107.08598	22.4
109.06533	4.1
109.10133	14.3
119.08576	14.4
121.10118	7.3
123.11731	7.2
133.10139	5.1
134.10379	4.6
135.04466	5.4
135.11693	19.3
141.05440	9.5
145.10057	5.1
159.07935	4.3
159.11685	6.1
161.05942	4.4
179.06995	10.8
180.07416	4.4
203.07048	16.9
204.07454	8.9
243.10121	15.7
257.08203	6.9
258.08572	6.2
291.10098	7.1
309.11166	10.9
321.11105	5.9
333.11279	5.6
351.12042	13.7
361.10834	5.3
393.13361	9.6
411.14365	100.0
412.14429	4.9
547.26837	28.8
564.39069	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	564.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.2
59.23192	3.0
65.03954	4.6
67.05508	5.4
68.43037	3.4
69.07071	10.1
71.58012	4.1
72.75005	3.9
74.09730	7.2
79.05500	13.6
81.07084	28.0
83.08628	3.5
91.05492	73.1
92.05818	12.3
93.07054	66.5
95.08609	11.5
99.04485	3.5
103.05444	4.4
105.03395	3.9
105.07034	37.4
106.07370	9.4
107.08604	34.6
109.10161	10.6
110.18047	3.8
117.07009	4.9
119.08589	11.2
121.10156	10.1
131.08559	4.3
133.10168	10.5
135.11708	46.8
141.05473	10.9
141.07033	5.1
145.10236	5.3
147.11661	4.3
151.03923	5.3
161.06030	4.8
169.10158	3.7
177.05521	6.3
179.08583	6.0
183.11754	4.2
189.09213	4.3
190.06224	6.7
203.07022	25.6
204.07281	6.7
205.05017	4.9
221.09595	4.6
225.09163	8.9
229.08717	4.1
241.08530	5.4
243.10217	5.8
249.08830	5.0
253.08568	4.3
255.10240	5.1
259.75620	5.1
267.10141	7.0
277.12238	4.3
291.10150	4.8
291.13812	3.9
305.11743	5.2
309.11237	7.3
317.11276	4.2
333.11215	4.6
349.10709	8.9
351.12335	9.3
363.19379	4.8
393.13266	4.6
405.20572	6.2
411.14374	63.3
497.23242	5.0
504.18582	4.7
515.24591	7.6
546.23621	100.0
547.25745	7.1
564.24634	40.8
564.39014	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	563.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35776	0.4
55.05518	0.4
60.67488	0.4
61.02940	0.4
65.54468	0.4
67.05479	0.7
69.03419	1.0
69.07071	0.6
69.78989	2.3
70.06586	0.5
71.04992	0.8
77.34256	0.3
81.03419	0.6
81.07064	0.5
85.02901	2.5
95.08602	0.5
97.02877	0.5
97.06547	0.9
105.07021	0.5
107.08557	0.4
109.02883	0.5
109.10117	0.4
116.62859	0.5
119.04917	0.4
119.08539	0.6
121.02851	0.7
121.10174	0.6
123.00797	0.5
127.03883	0.8
134.03615	0.6
137.05978	0.6
145.02829	1.3
145.04927	0.6
151.00206	0.6
152.01044	0.7
153.01820	1.9
159.49989	0.4
163.03888	0.5
165.12712	0.5
166.02632	0.7
167.03419	1.7
173.05968	0.5
177.05498	1.1
184.05211	1.1
201.05507	0.6
212.04698	2.0
212.06573	0.4
213.05424	0.5
226.06270	0.4
229.04930	1.2
239.16347	0.7
240.04150	3.0
243.06487	0.8
244.07339	0.9
255.06602	2.8
255.08824	0.5
257.04514	0.9
259.09775	0.7
267.02991	0.6
268.03708	2.4
269.04510	0.5
269.08307	0.9
271.05954	0.4
272.06726	1.0
283.06064	3.5
285.03894	1.7
297.03995	0.7
299.05508	2.1
300.06305	31.4
301.06732	0.5
309.03955	1.7
313.07095	2.2
315.08636	100.0
316.08929	1.0
321.07544	1.0
337.07095	0.6
339.05164	0.5
363.04861	0.5
363.08795	0.7
367.33414	0.4
381.09573	0.9
383.11282	0.7
395.11343	1.4
399.10739	1.0
401.12094	0.9
413.12271	0.7
417.11975	1.0
425.12097	1.2
441.08276	0.6
467.13293	0.8
509.14139	0.8
526.11652	0.4
527.15369	0.7
563.33392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2644
Annotation	Protoporphyrin
Peak:m/z	Relative Intensity
55.01874	1.5
55.05515	1.4
63.48655	1.2
65.03957	2.1
67.05511	5.7
69.03422	4.0
69.07065	2.3
70.45310	4.3
71.04964	1.5
73.78442	1.3
77.58121	1.4
79.05505	7.2
81.03432	3.7
81.07055	17.5
88.38550	1.4
91.05464	8.4
93.07047	5.5
95.04989	10.1
95.08623	5.5
105.07031	4.9
106.24577	1.3
107.05002	1.7
107.08605	4.9
109.06505	10.3
109.10172	4.2
111.08061	2.0
113.42460	1.3
116.16859	1.3
117.07015	3.4
119.04945	1.5
119.08606	3.2
121.06511	4.6
121.10143	2.1
123.08107	2.1
125.09608	1.7
129.07001	5.0
131.04921	1.8
131.08560	4.5
133.06509	2.4
133.10121	2.5
137.09628	2.0
141.07024	2.4
143.08554	3.1
144.05681	1.6
145.06487	3.9
147.04391	2.3
147.08070	4.1
147.11652	2.1
148.05309	1.4
149.02393	4.3
151.07498	3.4
152.24707	1.4
154.07805	1.6
155.08577	4.4
157.06525	2.7
157.10127	2.2
159.08054	3.8
159.11722	2.1
161.02354	6.8
161.06001	6.4
163.03960	1.9
165.42116	1.6
167.03430	2.6
167.08595	1.6
169.06380	1.7
169.10193	2.8
171.08112	2.6
173.06029	3.0
173.09634	2.0
175.03903	3.4
175.07571	3.0
177.05482	4.3
177.09270	1.6
179.07005	2.4
181.06528	3.2
181.10100	2.4
183.08148	2.9
185.06017	3.6
185.09726	2.7
187.04039	1.9
187.07549	3.8
187.11142	1.3
189.05466	1.9
189.09113	2.2
191.07043	7.2
192.07788	8.6
195.08069	3.4
197.09613	2.0
198.06656	1.9
199.07474	2.1
201.09193	2.9
203.07040	100.0
204.07393	2.3
209.09666	2.8
211.07513	3.0
211.11290	1.5
213.09177	3.5
215.07034	1.7
215.10741	1.7
221.09389	2.1
225.09003	2.8
225.12810	2.1
227.07001	3.0
227.10683	3.0
229.08624	4.0
241.08604	2.5
243.10185	18.8
243.13815	1.9
251.14482	2.4
257.08136	2.9
261.12762	1.9
269.08151	4.2
269.15414	5.5
279.13831	1.9
297.11258	2.9
297.14734	3.0
301.95676	1.4
311.16455	3.9
329.17496	4.5
363.13370	1.3
367.15439	2.4
385.23886	2.0
411.14462	4.1
451.18695	1.5
461.19525	2.2
471.21570	4.6
478.19571	1.7
481.20126	4.1
499.21124	11.8
513.22717	10.4
531.23810	35.9
563.26874	1.7
574.05981	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	563.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75826	0.5
69.03432	3.0
70.06586	0.6
71.57849	0.9
78.48213	0.5
79.05499	0.6
81.03409	1.5
81.07051	1.1
85.02898	3.0
85.06553	0.6
87.00832	0.8
91.05482	1.0
93.07042	0.7
95.08591	0.7
97.02911	2.4
99.04446	0.9
105.01866	0.6
105.07042	0.6
108.29362	0.5
109.02879	1.5
109.10156	0.8
111.04472	0.7
115.03950	0.7
115.05573	0.5
119.04987	0.6
119.08581	0.8
121.06490	0.9
124.01494	0.7
127.03947	2.4
128.04332	0.6
133.02832	0.6
133.10124	0.6
134.03625	0.5
137.05994	0.9
139.03847	0.6
145.02884	1.2
145.04961	1.1
145.10117	0.6
148.05205	7.8
149.05954	0.8
152.01048	4.8
163.03842	1.1
167.03409	5.0
170.02135	1.8
175.03938	2.2
177.05479	1.9
189.71840	0.5
199.07471	0.6
199.83932	0.5
201.05290	0.5
212.04935	0.6
213.05388	0.9
240.04156	2.3
243.06488	0.6
255.06508	3.5
257.04507	1.1
259.09723	2.0
269.08185	2.2
271.03195	0.5
271.06036	7.6
272.06821	1.9
282.05185	1.5
283.06116	0.7
287.09006	0.7
300.06287	24.3
313.07172	1.3
314.07462	1.1
315.08624	100.0
316.08893	0.7
381.09433	0.5
387.04898	0.6
563.22479	0.7
563.32306	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	563.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34084	0.2
69.03436	0.4
69.41781	0.4
69.42175	1.3
81.03422	0.2
81.07034	0.2
85.02901	0.2
91.05486	0.4
93.07065	0.3
95.04967	0.2
109.02882	1.2
119.04949	0.3
121.06493	0.5
121.10055	0.2
123.04436	0.7
132.05757	0.2
133.06465	0.2
133.10225	0.2
135.04456	0.8
137.02348	0.2
148.05138	0.2
150.67421	0.2
151.03891	0.6
153.01839	0.7
153.05473	0.5
155.03418	1.1
155.04651	0.2
156.05724	0.2
159.08098	0.2
161.05978	0.5
167.03391	0.8
167.04803	0.4
169.04971	0.2
170.07262	0.3
171.08020	0.9
179.03395	0.5
182.02097	1.2
182.07413	0.2
183.02942	0.2
184.05182	0.5
185.06023	0.2
188.71118	0.2
193.04996	0.3
197.06047	0.3
198.06781	1.3
198.08444	0.2
199.07550	1.3
200.03188	0.7
201.05414	0.2
211.03973	0.2
212.04695	0.5
213.05533	0.8
213.09128	0.5
216.07822	0.4
226.06264	1.4
227.07047	2.1
229.04994	0.5
240.04269	0.2
241.08675	0.4
243.06563	0.8
244.07349	1.1
254.05780	0.6
255.06555	2.3
257.04538	0.5
257.07202	0.2
259.09650	5.3
261.76660	0.2
268.03802	0.3
269.04605	0.3
269.08029	0.5
271.06018	1.4
272.06772	2.0
283.06094	0.3
285.03897	0.3
286.08450	0.3
299.05292	0.4
300.06290	8.7
313.07104	0.3
314.07281	0.3
314.65384	0.2
315.08621	100.0
316.08832	1.7
563.35779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
65.68187	0.3
67.05521	0.3
68.99802	0.3
69.03421	0.3
69.07078	0.3
70.28914	0.2
70.66357	0.6
70.66746	0.2
71.09205	0.2
72.08144	0.3
81.03408	0.7
81.07059	0.6
85.02892	0.6
85.42341	0.2
91.05474	0.5
93.07030	0.5
94.05826	0.2
95.04915	0.3
95.08612	0.5
97.02879	0.4
97.06522	0.6
99.04415	0.3
100.98589	0.2
103.05449	0.3
105.07059	0.5
107.04926	0.5
107.08602	0.3
109.02859	0.4
109.10175	0.3
113.97479	0.2
117.03389	0.3
118.93002	0.2
119.08579	0.3
121.02843	0.2
121.10175	0.3
123.04450	0.6
124.01591	0.3
127.03948	0.7
131.05000	0.4
135.04387	0.2
137.02321	0.4
137.05988	0.6
145.02815	0.5
145.05046	0.2
145.10136	0.2
148.05191	2.2
149.02341	0.9
151.03905	0.5
152.01109	0.3
153.01807	1.3
159.02908	0.3
162.45030	0.3
163.03947	0.4
165.01820	0.3
167.07080	0.5
170.02097	0.4
175.03841	0.2
177.05490	0.8
178.02615	1.0
179.03381	0.5
183.02885	1.4
197.05969	0.4
198.06929	0.2
213.05305	0.4
226.06296	0.8
227.07040	0.4
229.04948	0.5
231.06557	0.4
240.04053	0.4
241.04854	0.5
243.06604	0.4
253.04980	5.3
254.05756	4.0
255.06552	0.5
257.04385	0.8
258.05215	0.3
259.09637	1.1
268.03705	0.8
269.04385	0.8
270.05096	0.5
271.06046	3.7
272.06479	0.5
281.04504	2.4
282.05240	10.6
283.05991	1.9
284.06772	0.9
285.03976	1.3
286.04678	0.5
287.05685	0.5
287.09036	0.5
298.04636	0.4
299.05511	9.5
299.09000	0.6
300.06281	4.3
301.07019	1.2
313.07059	1.5
314.07370	1.2
315.08633	100.0
316.09155	1.4
383.11398	0.7
395.11340	0.6
400.14429	0.3
401.12207	1.0
413.11911	0.4
425.12411	0.4
477.13516	0.4
519.25262	0.5
542.55859	0.3
545.16553	0.3
545.24329	0.3
563.17273	0.4
563.24945	2.0
563.35620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90385	0.2
68.99803	0.3
69.03435	0.4
69.59151	1.1
79.05476	0.2
81.03393	0.5
84.08145	1.9
85.02907	1.0
97.02863	0.3
98.21499	0.2
103.54735	0.1
105.07030	0.3
109.02883	0.5
118.81789	0.2
120.18961	0.1
127.03922	0.6
131.04944	0.3
132.05692	1.5
133.06506	0.5
135.04436	0.3
140.01051	0.4
145.10075	0.2
153.01730	0.3
159.02908	0.3
168.00545	2.5
178.41522	0.2
186.01616	1.2
190.67372	0.1
198.06693	0.2
201.05368	0.2
213.05501	0.2
225.42638	0.2
226.06169	0.3
229.04893	1.0
237.88789	0.1
239.03357	0.2
241.04915	0.3
254.05754	1.1
255.06609	0.3
257.04446	1.8
269.04532	0.4
269.08044	0.5
270.05151	0.3
271.06067	1.1
272.06772	1.6
282.05203	0.5
283.06140	0.2
285.00806	0.3
285.03946	6.7
287.05399	0.3
299.05521	7.2
300.06284	56.8
301.06711	0.4
302.04147	0.4
304.95462	0.2
315.08618	100.0
316.09018	1.3
383.11267	0.2
401.12173	0.6
401.33813	0.7
449.49350	0.2
477.23517	0.2
519.25702	0.5
563.24945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.14
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	0.3
69.03415	0.2
69.30978	1.1
69.31383	0.3
81.03436	0.2
82.89140	0.2
85.02880	0.5
91.05474	0.2
97.02908	0.3
99.04494	0.2
103.36681	0.1
105.07040	0.2
105.32535	0.2
108.05810	0.2
109.02867	0.3
127.03922	0.6
131.04883	0.3
132.05750	0.2
133.06480	0.7
134.07242	0.3
147.04407	0.2
153.01784	0.2
159.47214	0.2
161.05978	0.6
168.00502	0.2
173.05980	0.2
173.77373	0.2
174.06772	0.6
175.07458	0.2
185.05916	0.3
189.05573	0.2
198.06700	0.3
199.07608	0.2
201.05418	0.5
211.09515	0.1
211.37033	0.2
212.04713	0.2
213.05504	0.4
216.07838	0.2
226.06133	0.4
227.07040	0.5
229.04977	0.8
230.05737	0.4
235.14386	0.2
239.03371	0.3
241.04996	2.6
243.06607	0.3
244.07161	0.3
248.06802	0.6
254.05672	0.4
255.06511	1.0
257.04456	1.2
259.09842	0.3
267.03110	0.3
268.03720	0.3
269.04480	5.2
271.05957	0.8
272.06830	0.7
282.05377	0.3
284.06668	0.3
285.03952	1.0
299.05548	1.2
300.06302	41.2
301.06598	0.3
315.08636	100.0
316.09012	0.9
401.12265	0.5
424.52115	0.2
477.24469	0.2
519.25714	0.5
563.24738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.14
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	0.2
69.03428	0.4
79.98902	0.2
81.07106	0.1
85.02865	0.3
91.05472	0.2
93.07047	0.2
95.04937	0.3
95.27639	0.2
109.02862	0.7
111.04434	0.6
119.04964	0.9
121.06493	0.8
123.04402	0.4
127.03995	0.3
131.04941	0.2
135.04414	0.4
139.03897	0.6
141.06876	0.2
143.84238	0.2
148.05185	0.8
149.05963	0.5
151.03935	1.1
152.01045	0.5
153.01831	0.7
153.05453	0.4
155.03387	0.8
161.05974	0.4
163.03937	0.5
167.03407	3.1
171.08058	0.8
175.03896	1.5
177.05469	0.5
178.06108	0.2
179.03320	0.4
181.06430	0.3
182.02092	0.9
183.02945	0.3
184.05220	0.5
185.06000	0.3
198.06773	1.2
199.02391	0.2
199.07536	1.1
200.03114	0.6
201.05450	0.4
211.07553	0.2
212.04713	0.6
213.05473	0.6
213.09097	0.6
226.06183	1.3
227.07025	2.6
229.04982	0.6
229.60686	0.2
240.04239	0.6
241.08672	0.6
243.06566	0.8
244.07330	1.0
254.05811	0.4
255.06544	3.5
256.07190	0.3
257.04443	0.6
259.09680	4.6
264.11578	0.2
269.08044	0.4
271.06030	7.0
272.06836	2.4
282.05194	0.5
283.06021	0.5
285.03989	0.2
287.09131	0.5
299.05588	0.5
300.06299	7.7
307.91022	0.2
314.07559	0.3
315.08624	100.0
316.08939	1.3
400.14728	0.2
401.14868	0.5
477.14056	0.3
563.14008	2.9
563.22693	0.4
563.33203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94301	0.1
53.03936	0.2
55.01864	0.1
55.05495	0.1
56.05024	0.2
57.03422	0.1
61.02904	0.1
65.90693	0.1
67.05489	0.2
68.99774	0.3
69.03424	0.5
69.07057	0.2
70.02174	0.4
70.06622	0.1
73.02899	0.2
79.05473	0.2
79.30225	0.1
81.03423	0.6
81.07045	0.5
83.04970	0.2
83.08577	0.1
84.08147	3.3
85.02904	0.7
85.06481	0.1
86.09640	0.1
87.00806	0.4
87.01268	0.1
89.03929	0.1
91.05477	0.3
93.07017	0.2
95.04953	0.1
95.08630	0.4
95.09137	0.1
97.02866	0.4
98.97537	0.1
99.04439	0.3
105.01873	0.1
105.06975	0.3
107.08582	0.2
109.02879	0.5
109.06456	0.1
109.10156	0.2
110.87829	0.1
117.03338	0.2
119.04945	0.1
119.08603	0.2
121.06480	0.1
121.10167	0.1
123.04456	0.1
125.09657	0.1
127.03915	0.7
130.08614	0.3
131.04939	0.1
132.05704	2.0
133.06514	0.5
133.10069	0.2
135.04425	0.2
135.11659	0.1
138.74791	0.1
140.01041	0.3
145.04924	0.2
147.11507	0.1
153.01862	0.2
155.04779	0.2
157.10098	0.1
159.02892	0.3
159.04245	0.1
159.08145	0.1
159.11668	0.1
164.01006	0.1
167.99158	0.2
168.00542	2.6
169.01149	0.1
173.06036	0.1
177.05504	0.2
179.03357	0.2
185.00826	0.1
186.01608	1.7
192.00578	0.1
198.06744	0.2
201.05403	0.1
211.04002	0.1
213.05608	0.1
221.11984	0.1
226.06183	0.3
229.04958	1.1
231.05090	0.1
239.03430	0.1
241.04948	0.4
243.06483	0.2
254.05807	0.8
255.06642	0.4
257.04434	2.0
259.09695	0.2
269.04568	0.6
269.07846	0.6
270.05261	0.4
271.06049	1.1
272.06754	1.5
282.05255	0.6
283.06055	0.2
285.03943	7.3
287.05313	0.1
289.05310	0.2
295.16217	0.1
297.07645	0.2
297.24121	0.1
299.05508	8.0
300.06277	59.4
301.06534	0.7
302.04208	0.4
315.08612	100.0
316.08954	1.1
338.30453	0.2
401.33749	1.6
477.24594	0.2
519.25720	0.7
550.97614	0.1
563.24573	1.5
563.34912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75747	0.2
69.71880	0.6
69.72292	1.1
85.02906	0.3
87.92485	0.2
90.41537	0.2
97.02887	0.2
123.00758	0.5
130.56613	0.2
134.03624	0.9
137.02299	0.6
138.03156	0.2
148.05263	0.4
151.00293	0.3
151.03951	0.3
152.01051	0.5
153.01878	0.7
163.03889	0.3
166.02621	0.7
167.03424	2.9
167.04797	0.5
169.01273	0.6
184.03676	2.1
184.05142	0.6
195.04474	0.6
197.26811	0.2
201.05450	0.5
212.04584	1.4
215.67667	0.3
216.07794	0.5
221.01859	0.3
223.03995	0.6
227.07022	0.6
229.04993	1.0
240.04225	2.4
243.06482	2.1
244.07341	2.1
255.06563	2.9
257.04459	0.9
259.09729	0.6
267.02917	0.5
268.03711	3.0
271.06076	0.4
272.06833	1.3
283.06042	2.7
284.06546	0.3
285.03958	1.0
299.05478	2.5
300.06299	22.1
301.06528	0.4
315.08618	100.0
316.09042	1.0
521.17151	0.3
546.81232	0.3
563.33435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.1
68.99809	0.3
69.03443	0.2
69.31744	1.3
83.04945	0.2
84.31268	0.1
85.02904	0.4
85.06553	0.2
85.48241	0.1
98.21513	0.3
109.10159	0.2
123.00801	0.2
127.03931	0.2
133.10156	0.2
134.03644	1.1
135.04355	0.1
137.06000	0.2
139.03920	0.2
139.05489	0.2
145.02841	0.2
148.05168	0.2
149.05919	0.1
151.03941	0.3
152.01009	0.3
160.33069	0.1
163.03940	0.2
166.02676	0.7
167.03424	3.6
167.04874	0.3
169.01344	0.5
170.03731	0.1
171.04385	0.2
175.03905	0.4
183.04475	0.2
184.03705	2.3
184.05193	0.3
187.07576	0.3
195.04436	0.5
199.07500	0.3
201.05467	0.6
212.04688	1.1
213.05502	0.3
215.06984	0.1
216.07886	0.9
223.03760	0.2
227.07056	1.0
229.04994	1.2
239.03412	0.2
240.04240	1.7
241.05058	0.2
243.06563	2.5
244.07318	2.6
255.06525	2.9
257.04544	0.5
259.09680	1.1
267.02917	0.5
268.03717	1.3
271.06055	0.6
272.06842	1.7
283.06036	4.0
284.75925	0.2
285.03946	0.4
285.07596	0.7
286.04590	0.1
287.09427	0.2
297.07523	0.3
299.05518	3.2
300.06305	19.3
301.06424	0.3
315.08633	100.0
316.08948	1.6
321.07632	0.2
339.08670	0.2
369.38629	0.1
382.86633	0.2
383.11499	0.4
401.12106	0.3
448.34012	0.1
519.26044	0.2
562.32825	0.2
563.25653	0.3
563.33344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12552	0.8
53.03939	3.5
54.43671	0.9
55.01866	3.6
57.03437	1.8
61.02918	2.4
65.03928	1.5
67.05496	2.9
68.99802	4.9
69.03432	8.2
70.06579	0.8
71.04995	1.2
71.56125	1.4
72.08134	0.8
73.02913	2.0
73.05858	0.8
79.05482	3.9
81.03426	10.0
81.07034	1.7
82.04183	0.8
83.55367	0.8
84.08138	1.7
85.02909	18.7
87.00832	8.3
89.03962	1.0
91.03953	0.9
91.05477	2.5
93.03400	1.4
93.07043	2.0
95.04977	2.4
95.08620	2.5
97.02897	7.7
97.06512	1.1
98.97570	0.9
99.04433	2.7
103.03931	2.4
103.05486	1.1
105.01859	3.5
105.03413	1.1
105.07032	1.8
107.04948	2.2
107.08571	2.1
109.02874	6.4
109.06510	1.4
109.10123	1.3
110.03671	1.6
115.03921	1.5
117.01853	1.1
117.07008	1.4
119.04909	1.5
119.08557	1.5
121.02870	2.7
121.06486	3.0
121.10126	1.2
123.04435	1.5
124.51810	1.0
125.06050	1.5
127.03920	10.7
128.06166	1.0
129.01857	2.3
129.07071	1.1
131.04950	2.3
133.02838	2.2
133.10136	1.0
135.04408	2.6
137.02350	1.3
137.06010	2.3
138.03123	20.0
139.07565	3.2
145.04971	3.8
145.06465	1.3
147.02953	1.0
147.04372	2.2
149.02374	1.7
151.03906	37.2
152.04642	2.5
153.05473	100.0
156.13597	0.8
159.02890	4.5
159.04256	1.5
161.02309	1.1
161.05939	1.4
162.03078	6.4
163.03677	3.5
165.01898	0.8
165.05496	5.1
167.03391	2.2
167.06992	5.0
173.05980	2.4
175.02498	1.4
175.03915	17.8
176.04642	2.1
177.05481	23.3
179.03316	1.2
185.06102	0.9
187.03868	1.1
189.03851	1.4
189.05441	1.5
190.06238	1.1
191.07054	2.7
193.04947	6.4
195.06543	24.0
201.05437	3.3
203.64044	0.9
207.06537	1.8
211.07529	0.9
213.05473	2.9
214.06059	1.1
215.06976	1.1
217.04938	3.7
219.06555	16.6
221.05977	1.9
225.05495	1.8
226.06155	1.8
229.05080	1.3
233.08067	2.0
239.49617	0.9
241.05046	1.9
242.05351	1.0
243.06526	2.0
253.04994	3.0
254.05315	1.9
257.04477	1.7
257.08130	1.7
259.05978	1.8
261.07581	10.8
265.04916	1.1
267.06467	1.1
269.04282	1.4
271.05917	2.4
272.06363	1.5
281.04440	5.3
282.04889	5.4
283.05914	2.8
287.05594	1.5
295.06107	1.4
297.07510	1.0
298.04517	1.5
299.05460	4.2
300.05801	4.7
301.07086	1.4
307.06088	4.1
313.07056	3.9
314.07712	12.3
315.04620	1.7
315.08356	31.2
325.07169	2.6
327.08505	3.1
339.08740	7.2
349.07159	2.6
351.08527	1.1
357.09686	8.0
359.75195	0.9
365.08734	6.5
381.09494	4.4
383.11145	3.9
395.11240	2.0
396.11844	1.1
401.12280	3.6
405.09619	3.0
407.11072	0.8
423.10745	4.3
563.24646	2.9
563.35486	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	563.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65007	0.2
57.15435	0.1
57.25947	0.2
69.33922	1.3
75.12653	0.1
81.03444	0.2
85.02900	0.2
100.11273	0.5
111.04453	0.2
123.00816	0.4
125.02350	0.2
128.06244	0.3
134.03625	0.6
135.04376	0.2
137.02336	0.6
138.03133	0.2
145.02850	0.8
148.05145	0.8
151.00243	0.9
151.03915	0.2
152.01009	1.1
153.01830	2.0
155.04916	0.2
156.05695	0.5
166.02629	0.8
167.03386	0.8
167.04768	0.3
169.01343	0.3
170.02252	0.2
182.15445	0.3
183.04352	0.4
184.05173	1.1
191.72926	0.2
195.04436	0.3
197.05928	0.3
198.06841	0.2
201.05505	0.6
209.16429	0.2
211.04005	0.2
212.04677	2.8
213.05490	0.4
223.04277	0.2
226.06233	0.3
227.07027	0.5
228.04193	0.2
229.04959	1.0
237.05482	0.2
239.03481	0.3
240.04153	3.9
241.04816	0.3
243.06514	0.9
244.07330	1.0
255.06526	2.1
257.04498	1.5
259.09686	0.7
267.02905	1.0
268.03647	3.3
271.05887	0.3
272.06778	1.1
283.05984	1.6
284.03186	0.2
285.03955	2.7
287.09213	0.2
299.05600	1.1
300.06274	33.4
301.06802	0.8
315.08603	100.0
316.08960	1.3
336.22894	0.2
562.39197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.05506	11.4
57.03430	13.3
58.36105	4.0
67.05510	24.0
69.07078	6.0
70.81442	8.2
70.81777	5.6
71.04974	4.2
72.84988	4.3
73.88075	3.4
79.05479	15.4
81.02976	7.7
81.03424	89.7
81.07059	20.5
83.04961	8.3
83.08623	28.1
85.02895	11.3
91.05478	28.4
93.07028	13.3
95.04971	27.1
95.08596	10.3
97.02905	3.5
97.10158	4.1
98.68752	3.4
105.07029	20.9
107.04927	8.3
107.08603	6.8
109.10154	5.2
111.08080	11.9
119.08580	16.0
121.06510	4.8
121.10117	9.6
125.09596	4.3
129.06992	11.0
131.08554	14.2
133.10191	7.8
133.73938	3.4
136.76868	3.5
147.07948	4.4
147.11688	7.7
149.09636	9.9
157.10115	12.0
163.11061	3.8
175.11168	8.3
193.12256	34.9
211.13216	22.8
267.15936	100.0
285.16998	23.8
349.21594	4.7
362.39243	4.3
367.22742	14.7
385.23770	8.8
433.25861	11.9
441.26202	7.3
459.27530	46.6
477.28470	37.7
516.86566	4.6
553.12866	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	561.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18069	0.3
62.06606	0.3
69.03420	0.4
69.07090	0.5
71.36855	0.4
72.08172	0.3
84.08147	0.4
85.02905	0.4
93.07021	0.3
102.05544	2.0
105.07057	0.4
107.04997	0.3
107.08576	0.4
118.35055	0.3
125.05972	0.4
128.07117	0.3
136.07538	0.3
137.09692	0.4
142.82726	0.3
147.08064	0.3
151.23445	0.3
161.09692	0.6
162.09966	0.3
177.05539	0.3
398.21658	0.5
399.17236	0.3
399.22284	1.5
399.27438	0.8
400.23172	0.3
435.40091	0.3
531.31262	4.4
543.31647	0.8
561.32507	100.0
562.32611	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	562.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.05516	3.2
56.05018	0.6
57.03424	0.9
57.06447	0.4
58.06599	2.1
63.64906	0.4
65.03926	0.8
67.05487	1.1
69.03435	5.0
69.77354	0.4
70.06602	2.9
70.40678	0.5
70.41018	1.5
71.04964	0.8
72.04497	0.6
72.08154	4.5
79.05485	0.7
81.03414	2.3
81.07005	0.5
82.06559	0.8
83.04987	6.9
84.07774	0.4
84.08145	4.8
85.02909	2.6
85.06535	2.1
85.08927	12.6
86.06050	1.0
86.09683	1.2
87.08100	1.2
91.05463	0.4
95.04948	1.7
96.08102	1.1
97.02867	1.1
97.06523	0.4
98.09683	2.6
98.97581	1.1
99.04424	1.7
100.07587	1.8
102.09189	6.5
107.04948	0.6
109.02789	0.8
110.09673	0.6
111.04427	0.4
113.06010	22.2
116.07059	0.6
116.10728	2.3
123.04417	1.4
124.07597	1.0
125.05966	0.7
126.05512	0.6
126.09164	14.3
126.79353	0.4
127.03943	2.0
128.10716	6.3
131.04939	0.4
136.07678	0.5
137.06004	1.0
141.05501	0.8
145.02837	0.9
147.04431	0.7
153.05547	0.5
154.08588	0.5
155.07114	0.5
158.11795	1.2
159.06522	0.5
167.07036	1.7
168.07428	0.7
171.06560	0.6
172.09700	14.6
172.11189	0.8
174.11295	2.1
175.07552	0.5
177.05450	1.2
181.04970	28.4
188.28670	0.4
201.09161	0.7
204.12323	100.0
205.12671	0.9
219.01762	0.5
231.10124	0.6
234.11339	0.4
237.02960	0.7
259.09769	0.6
261.11224	0.9
274.08023	0.5
277.10718	1.4
287.09210	1.2
288.47647	0.5
305.10162	2.9
322.16599	0.6
332.15027	0.5
348.11905	0.9
350.16095	1.3
354.19092	0.8
368.16998	3.6
382.18707	1.6
400.19687	12.4
438.33652	0.4
482.21902	0.4
516.24628	0.7
562.25006	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01871	0.6
55.05508	2.2
56.42923	0.3
57.07051	0.3
65.03930	0.7
67.05507	5.9
68.99808	0.4
69.07068	4.0
70.74235	0.3
79.05494	4.3
81.03399	0.6
81.07064	5.4
83.04974	0.6
83.08608	1.3
87.49294	0.4
91.05484	5.1
93.07040	4.8
95.04970	5.4
95.08604	4.3
97.06551	0.6
101.64668	0.3
105.07034	5.4
107.04966	1.5
107.08598	3.7
108.02114	0.8
108.05730	0.6
109.06516	0.9
109.10155	3.7
111.04423	0.5
117.07015	1.2
119.08576	5.1
121.06503	1.9
121.10154	2.5
123.04419	0.5
123.08048	0.6
123.11716	0.9
129.06978	1.2
131.08566	2.6
133.06512	0.5
133.10120	3.2
133.33696	0.3
135.04375	0.6
135.11731	1.7
136.05219	1.6
137.05983	3.5
137.13358	0.3
142.07764	0.5
143.08557	1.0
145.10110	3.3
147.04419	0.6
147.08009	0.5
147.11705	2.0
148.05199	2.3
149.02354	0.5
149.06000	0.7
149.09576	0.5
149.13292	0.7
151.03906	23.7
151.07539	12.1
155.08557	0.5
157.10164	0.9
159.11685	1.8
161.02243	0.3
161.05992	4.7
161.13297	0.9
162.03108	0.5
163.03894	2.2
163.07536	0.6
163.11250	0.6
165.01819	0.5
165.05431	0.7
167.07088	0.4
167.08492	0.5
171.11655	0.8
173.13268	0.5
175.03915	0.9
175.07520	1.5
175.14850	0.6
177.05496	1.0
179.05466	0.4
179.07045	8.8
179.08430	0.4
181.04959	0.9
181.06465	0.4
182.07245	0.5
183.08023	0.4
183.11668	0.6
187.07552	0.6
187.11115	0.4
187.14798	1.0
189.09114	1.3
189.12674	0.4
191.03326	0.8
191.07060	0.4
192.04227	1.5
195.08116	0.5
197.06052	0.4
197.13188	0.6
199.07588	0.6
200.26364	0.4
201.16356	0.7
203.06993	0.8
203.17986	1.9
207.06531	13.1
208.07269	1.9
209.11761	0.7
211.07668	1.7
213.09108	2.2
213.16322	1.6
215.10590	0.6
215.17932	0.5
222.06856	0.4
223.07568	0.6
224.08290	0.6
225.09068	2.0
226.09875	0.5
227.07018	0.7
227.12691	0.5
229.08459	0.4
231.17403	2.4
237.09048	0.4
238.06340	0.7
239.06950	0.8
239.10727	0.8
241.08562	0.7
241.12120	0.4
243.10089	0.4
248.29979	0.4
251.07007	2.1
251.10632	1.0
253.08649	1.4
254.09381	0.8
255.06470	1.2
257.11734	3.0
263.10419	0.4
265.12320	0.7
266.05591	0.5
267.06522	1.2
269.08099	10.2
270.08914	0.9
279.13800	0.8
281.08008	4.2
282.08917	1.3
283.06030	2.1
284.06772	1.0
285.10757	0.4
293.15732	0.4
297.07590	10.1
297.10880	0.7
298.08371	6.3
313.10696	100.0
314.11115	0.7
321.18561	0.5
329.10239	1.6
331.11728	0.5
337.21591	0.7
341.10208	1.8
357.09692	13.0
363.18604	0.8
363.23175	16.7
407.22217	0.4
433.30887	0.5
469.32852	0.5
543.27142	1.7
543.36688	2.6
561.27539	1.2
561.37341	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01862	1.1
55.05510	3.2
56.58746	0.4
57.03433	0.6
65.03938	1.3
66.77171	0.5
67.05167	0.6
67.05508	8.3
69.03439	0.7
69.07076	2.9
71.04985	1.2
71.58298	0.7
79.05505	6.0
81.03411	1.9
81.07059	8.3
83.04992	1.0
83.08619	1.9
85.02925	0.6
90.38158	0.4
91.05483	7.4
93.07052	6.6
95.04980	6.0
95.08629	4.8
97.02906	0.5
97.06504	1.5
97.10173	1.3
103.05454	0.4
105.07037	5.7
107.04970	1.7
107.08601	5.8
109.02861	0.6
109.06485	1.0
109.10177	3.7
111.04421	0.6
117.07018	1.3
119.08597	4.4
121.06490	2.0
121.10162	3.5
121.50731	0.4
123.08090	1.0
123.11717	1.1
129.06996	1.2
131.04869	0.6
131.08569	2.8
133.10133	3.5
135.04420	0.9
135.08005	0.7
135.11678	2.0
136.05196	1.1
137.05974	1.2
137.09659	0.7
139.11197	0.6
142.07730	0.7
143.08514	1.3
145.06430	0.6
145.10127	2.7
147.04442	0.7
147.11702	2.2
148.05194	1.8
149.06050	0.6
149.09537	0.7
149.13316	0.5
151.03912	21.8
151.07556	6.7
155.08484	0.9
157.10168	1.1
159.11705	1.9
161.05994	2.0
161.13286	1.4
163.03926	1.1
163.11166	0.9
169.05075	0.8
169.10147	0.6
171.08025	0.5
171.11670	0.8
173.13295	0.8
175.04002	0.6
175.07596	1.2
177.05481	0.9
179.07076	4.9
181.04979	1.0
185.06073	0.5
187.07521	0.6
187.14786	0.8
189.16414	1.0
191.03424	0.5
191.07104	0.5
192.04121	1.3
193.12172	1.1
195.07967	0.7
197.13196	0.5
199.07521	0.6
199.14801	0.5
201.09102	0.5
203.07024	2.0
207.06534	7.9
208.07251	1.0
209.11765	1.6
211.07556	1.6
213.09081	1.4
213.16367	0.7
225.09103	0.9
227.07030	1.2
227.12709	0.8
229.14305	0.5
239.07069	0.7
239.65918	0.5
241.08659	1.2
243.10231	0.6
253.08601	1.7
254.09398	0.6
255.06549	1.2
257.08047	0.7
257.11722	2.9
267.06708	1.2
269.08142	8.9
270.08957	1.1
277.21649	0.5
281.08130	3.4
282.08932	1.3
283.06033	2.1
297.07611	10.3
298.08328	5.2
299.09177	1.4
301.21805	0.6
313.10712	100.0
314.10867	1.6
314.15570	0.5
329.10272	1.5
331.11923	0.6
357.09711	12.3
363.23215	3.3
365.13916	0.6
433.30783	0.5
435.17209	0.5
454.53439	0.5
469.33292	0.8
487.34143	0.6
543.22992	1.0
543.36761	4.1
561.25330	1.5
561.36542	4.5
589.59930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
55.05499	2.1
57.07093	1.2
65.03922	1.8
67.05507	5.8
68.87393	1.1
69.07081	5.2
71.04987	1.8
79.05500	3.2
81.07056	8.2
83.08614	1.1
89.31005	1.0
91.05482	9.0
93.07053	5.8
93.75119	1.1
95.04980	4.1
95.08605	4.8
97.10155	1.4
105.07036	8.2
107.04970	2.8
107.08613	3.8
109.06522	1.1
109.10191	3.6
117.06937	1.2
119.08588	7.0
121.06509	3.3
121.10143	2.8
131.08577	4.1
133.10114	2.6
135.11676	2.4
136.05211	1.6
137.05972	2.1
145.10146	2.4
147.08051	3.1
147.11694	3.7
149.05949	1.2
149.13281	1.7
151.03918	20.5
151.07520	7.2
159.11763	1.9
161.06020	2.2
161.13292	1.0
175.07549	6.6
177.05553	2.2
178.19368	1.1
179.07021	7.9
181.04962	4.9
185.13297	1.3
187.14914	1.2
189.16536	2.1
196.05328	1.4
203.07065	2.3
203.17955	1.9
207.06509	11.1
207.08162	1.4
208.07304	3.2
211.07565	15.9
213.09143	1.7
225.09091	1.7
231.17545	2.1
237.09132	2.5
239.10796	1.4
241.08617	1.2
251.10675	2.0
253.08702	2.0
257.11725	4.4
267.06754	1.4
267.10077	3.3
268.10568	3.2
269.08081	11.9
269.10648	2.1
270.08716	1.3
281.08090	2.8
283.06009	2.0
297.07596	8.7
298.08267	6.7
313.10706	100.0
341.16574	1.4
357.09720	10.2
363.23251	15.1
403.52844	1.1
561.24835	3.7
561.39795	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	561.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16414	0.6
50.91360	0.7
53.03941	0.8
55.05500	2.4
56.36515	0.8
57.07478	0.7
59.78294	0.6
65.03921	0.8
67.05487	3.5
69.07070	4.5
71.08626	0.8
71.56634	1.2
73.02527	0.6
79.05502	3.6
81.07056	4.4
84.31769	0.6
91.05484	7.3
93.07044	3.6
95.04989	4.9
95.08590	4.0
97.10173	0.9
103.24050	0.6
105.07042	5.8
107.04939	1.4
107.08601	3.7
109.06531	0.7
109.10133	3.9
117.06978	1.1
118.23239	0.7
119.08587	4.4
121.06503	1.8
121.10136	2.0
125.06027	0.8
131.08551	2.3
131.53413	0.8
133.10114	2.5
135.08083	0.9
135.11700	1.9
135.58589	0.7
136.05161	1.1
137.05981	1.6
143.08513	1.1
145.10124	2.1
147.08035	1.9
147.11670	2.8
148.05182	1.9
149.09705	0.7
149.13351	0.8
151.03923	19.6
151.07524	7.0
161.05905	1.8
161.13248	0.8
163.03914	1.2
165.05547	1.1
175.03886	1.0
175.07500	5.1
177.05486	1.7
179.07059	6.6
181.05038	3.7
181.06425	1.2
183.07991	0.9
189.16229	1.7
191.03258	0.9
192.04112	0.9
196.05132	1.5
201.09099	0.8
201.16431	0.8
207.06529	11.3
208.07268	2.6
211.07552	15.8
213.09154	1.5
225.09174	1.6
227.07030	1.4
231.17438	2.1
237.09169	3.0
239.06921	0.9
241.08690	0.8
251.10632	2.2
253.08694	1.2
253.12247	0.8
254.09441	1.1
255.06516	1.0
257.11768	2.5
265.12225	1.4
267.10211	2.3
267.13239	0.7
269.08084	7.8
270.08969	0.9
281.08035	3.0
283.06107	2.7
284.06705	1.0
285.11108	0.9
297.07623	8.5
298.08438	5.7
307.16830	1.0
313.10703	100.0
314.11209	1.1
329.09952	1.3
331.11728	2.4
341.10275	1.0
357.09668	11.5
357.45758	0.8
363.23209	15.8
558.26892	0.8
561.39679	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	561.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05505	2.3
57.03434	0.7
57.07069	1.0
65.03915	1.2
67.05505	5.6
69.07065	3.5
79.05521	3.9
81.03417	2.1
81.07055	5.7
83.04981	0.7
83.08617	1.1
91.05482	7.1
93.07050	7.6
95.04977	4.9
95.08616	5.1
97.06512	0.9
97.10157	0.8
105.07038	7.0
107.04950	2.3
107.08598	6.0
109.06503	1.0
109.10162	3.8
111.08070	0.6
113.74576	0.6
117.07021	1.7
119.04938	0.8
119.08613	5.0
121.06519	1.3
121.10143	2.7
123.04421	0.9
123.08092	1.0
123.11721	1.5
125.06001	0.8
125.09638	0.5
126.15405	0.6
129.07007	1.4
131.08548	3.5
133.02808	1.0
133.10153	4.5
135.04376	0.7
135.07974	0.5
135.11732	3.2
136.05211	1.6
137.05991	1.9
137.09523	0.6
141.06970	0.7
143.08546	1.1
145.06522	0.6
145.10117	2.2
147.04462	0.9
147.08064	3.2
147.11681	2.5
148.05176	2.6
149.02359	1.8
149.09668	1.0
149.13237	2.2
151.03912	23.7
151.07539	10.0
157.10133	1.1
159.08061	1.2
159.11729	1.0
161.02332	1.0
161.05966	3.6
161.09654	0.8
161.13297	1.6
163.03911	2.0
163.11215	0.6
165.05499	0.8
167.03357	1.5
171.07977	0.9
171.11707	1.1
175.03931	1.2
175.07562	6.3
175.14803	1.0
177.05457	1.1
177.09030	0.6
179.07065	6.9
179.08582	1.0
181.04958	3.9
181.06430	1.0
181.10258	0.7
183.11620	0.6
187.14854	1.2
189.16373	3.2
191.03423	1.1
191.07053	1.6
192.04190	1.1
196.05220	0.9
199.07536	1.2
199.14650	0.6
201.09149	1.0
201.16434	1.4
203.07014	5.3
203.17979	1.2
207.06540	16.2
208.07341	4.7
209.09566	0.6
210.06750	0.7
211.07568	11.9
213.09132	1.6
223.74440	0.5
224.08417	0.5
225.09076	1.5
227.07005	1.5
227.10724	0.5
229.08435	0.7
229.48875	0.7
231.17435	2.8
237.05524	0.6
237.09120	1.3
239.07030	1.0
239.10611	1.0
241.08629	1.3
243.10167	0.7
251.07013	1.0
251.10666	1.3
252.07841	0.7
253.08699	2.9
254.09467	0.8
255.06540	1.0
257.11832	3.0
265.04773	0.8
265.08386	0.6
267.06424	0.7
267.10248	1.0
267.16071	1.1
269.08099	9.8
270.08716	0.8
281.08170	3.0
282.08768	1.2
283.06061	2.6
284.06766	0.7
285.07712	0.8
297.07635	11.2
297.11035	0.6
298.08313	4.8
313.10706	100.0
314.11069	1.8
327.15924	1.8
329.10278	1.5
331.11737	2.6
335.09283	1.3
349.10635	0.9
350.11560	0.6
357.09656	13.0
363.18750	0.8
363.23209	15.5
365.13855	14.2
391.18823	0.7
436.52652	0.6
451.31702	0.8
529.21973	0.9
533.28552	1.2
543.36945	1.9
555.65112	0.5
561.26538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
53.06655	1.9
54.09197	2.0
55.01854	3.9
55.05510	7.5
55.82798	1.9
57.03428	3.2
61.59818	2.0
65.03928	4.3
67.05508	17.0
69.03430	11.6
69.07060	12.3
70.53117	2.1
71.04986	2.4
71.38086	2.8
74.09695	2.2
79.05493	16.6
81.03414	8.5
81.07061	26.5
83.04974	2.8
83.08575	2.8
85.06541	2.1
91.05017	2.6
91.05493	23.7
93.07047	22.6
95.04986	13.3
95.08612	19.2
97.06535	4.0
97.10200	2.4
105.07040	19.8
107.04931	5.9
107.08604	22.1
109.02884	3.4
109.06519	6.0
109.10165	11.6
115.05499	2.4
117.07015	4.2
119.08582	14.7
119.96760	2.1
121.06511	7.5
121.10152	14.3
121.59944	2.3
123.04420	2.2
123.08070	4.5
123.11704	4.8
128.06238	5.3
129.06998	6.6
131.04927	3.2
131.08557	8.8
133.06451	2.5
133.10124	10.1
135.04375	3.2
135.08041	3.3
135.11684	5.7
137.05940	5.3
137.09679	2.4
142.07780	2.4
143.08542	3.8
145.06558	4.3
145.10092	6.1
147.04417	4.6
147.08052	7.7
147.11649	4.7
148.05208	4.8
149.02315	5.8
149.09612	2.7
149.13274	4.8
151.03928	20.6
151.07533	11.8
152.06255	2.7
153.07051	4.6
155.08604	5.0
157.06430	2.9
157.10095	4.9
159.08034	4.2
159.11655	6.2
160.05234	2.3
161.02368	8.5
161.05946	8.9
161.13231	3.9
163.03853	4.7
163.07568	2.5
165.01817	21.4
165.06987	4.8
167.03404	5.8
167.07150	3.1
167.08545	3.2
169.10161	2.7
171.08121	3.7
171.11740	3.0
173.05994	3.5
173.09694	3.3
175.03943	3.3
175.07571	11.0
175.30780	2.1
176.04652	3.1
177.05493	7.4
177.16350	4.7
179.07031	9.3
179.08487	3.7
181.05084	3.8
181.06480	10.9
182.07234	3.5
183.02885	6.0
183.08028	5.3
185.05933	4.8
187.03925	4.2
187.07527	6.9
189.05444	4.6
189.09111	4.5
189.16296	2.8
191.07048	13.7
192.07800	16.8
193.12186	2.5
195.08069	4.8
197.09682	5.7
198.06685	3.5
199.07587	4.6
199.11293	2.7
201.05472	2.8
201.09030	4.0
201.16411	2.8
203.07039	100.0
205.04909	3.4
206.10762	2.3
207.06470	11.5
207.08124	2.4
208.07265	3.3
209.09541	4.3
210.06763	2.4
211.07556	15.7
213.09117	15.1
213.12856	2.2
215.10597	6.0
216.64050	1.9
223.07530	3.1
225.09120	9.6
227.07042	3.3
227.10709	3.3
229.08607	6.8
231.17603	2.2
234.43536	2.9
237.09109	3.6
239.07031	2.5
239.10735	2.8
241.08589	7.7
241.12296	4.3
243.10146	26.0
245.11711	4.0
249.12596	2.1
251.07051	7.3
253.08667	6.4
257.08069	3.3
257.11768	5.1
265.08624	2.8
267.10092	4.5
267.16119	5.0
269.08102	35.3
277.12180	3.6
278.12970	3.4
281.08087	3.8
283.05923	4.5
285.11249	3.5
292.75232	2.1
295.09485	2.7
295.13205	4.3
297.07617	7.1
297.11105	3.6
298.08405	3.2
299.16623	2.5
305.07883	2.7
309.14746	4.2
310.08325	3.3
311.12695	2.3
313.07516	3.1
313.10703	85.0
323.09076	3.8
325.10724	8.4
327.15884	6.4
335.12741	4.0
335.25824	2.3
353.09918	2.8
357.09732	9.0
363.23151	12.4
365.13812	4.2
367.15414	6.6
380.52432	2.2
393.13629	2.5
393.20624	2.3
395.12576	2.6
399.16086	2.6
401.17813	2.7
411.14438	7.0
427.15274	9.3
445.16492	14.4
469.01132	2.6
469.19742	2.3
483.21793	2.7
497.19550	9.0
501.23328	3.3
511.21036	9.3
515.27924	6.7
529.22186	26.4
533.28992	9.0
543.27325	2.6
543.36682	4.1
561.27722	21.5
561.37170	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	561.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01860	0.7
57.03430	1.1
61.02931	1.1
65.03940	1.8
67.05497	0.7
68.38416	0.5
69.03114	0.5
69.03432	4.7
69.62309	2.1
69.62722	1.2
72.87936	0.5
76.07662	0.5
81.03421	2.1
81.07041	0.9
85.02912	10.4
87.04459	0.9
91.03954	0.5
91.05461	0.7
93.03427	2.7
93.07058	0.5
97.02895	3.6
99.04452	0.9
103.05503	0.6
105.03371	0.8
105.07032	0.8
106.04169	0.4
107.04950	1.1
108.76003	0.4
109.02882	1.2
111.04424	1.3
112.33627	0.5
119.04955	2.5
121.02854	1.7
121.06503	1.9
125.05991	1.4
127.03932	2.7
129.07080	0.5
131.04897	0.7
132.59151	0.5
133.02859	16.5
135.04427	4.9
136.47226	0.5
137.02338	0.9
137.05981	2.8
141.05489	0.9
145.04973	2.2
145.06477	0.5
147.04422	5.4
147.08038	1.3
149.02361	5.0
149.05975	2.2
151.03928	0.7
151.05040	1.8
153.05481	11.2
159.04428	5.6
161.02351	4.0
161.05974	1.5
161.09622	0.7
162.03146	4.4
163.03917	5.9
164.04680	2.0
165.05492	21.1
167.03435	2.9
171.04436	7.9
173.05995	1.0
175.03906	0.6
175.07535	2.4
177.05487	21.4
178.06271	19.7
179.06978	1.7
181.04971	0.6
185.06039	0.7
187.03902	0.8
189.09099	3.6
195.08075	2.5
198.06793	1.9
203.07036	9.5
205.04829	0.6
207.10248	2.7
213.05728	0.6
213.09117	14.4
221.08066	4.6
224.04863	0.6
229.08543	0.8
231.07970	1.1
231.10167	10.7
240.04271	0.6
241.08667	3.9
255.06511	1.1
259.09732	1.9
281.04434	2.4
297.04404	0.6
298.04712	5.8
299.09241	1.2
309.07620	0.8
313.07053	17.0
313.10681	0.8
325.06573	0.6
327.08722	1.5
339.08701	4.9
353.13821	1.7
371.14938	2.4
381.13385	20.0
399.14417	100.0
400.14725	2.0
407.15118	0.5
561.13947	0.7
561.31818	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	561.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09783	0.3
84.58595	0.1
123.00805	0.1
128.06229	0.6
128.12625	0.1
135.04489	0.1
135.40765	0.1
139.05449	0.2
141.06975	0.1
145.02858	0.3
152.01036	0.2
153.06961	0.1
156.05710	0.8
157.06516	0.1
167.04971	0.5
175.03941	0.5
181.06503	0.3
183.04449	0.6
184.05196	1.8
195.04420	0.9
197.05981	0.6
199.07661	0.2
211.03879	0.2
212.04691	5.9
223.03893	0.4
225.05460	0.4
227.07062	0.3
237.05414	0.3
240.04185	8.1
251.03395	0.3
253.04939	1.4
255.04025	0.2
255.06534	2.9
255.09196	0.2
256.06671	0.1
257.08066	0.7
268.03677	9.7
269.04282	0.4
270.05234	0.7
271.05988	0.2
283.05991	3.8
283.09033	0.2
285.07553	0.1
298.04730	28.1
299.05243	0.3
305.80875	0.1
313.07056	100.0
314.07388	1.5
491.25369	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	561.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71008	0.1
69.47301	1.1
81.07047	0.1
85.02894	0.2
85.38055	0.1
107.04961	0.5
123.04446	0.2
137.02361	0.6
141.50394	0.1
151.03952	0.7
161.02367	1.0
162.03133	22.8
163.03830	0.4
163.11131	0.2
184.05226	0.9
189.01804	0.3
196.05247	0.1
200.04709	0.7
211.07562	0.2
212.04709	4.7
213.05464	0.4
215.03397	0.2
223.03889	0.6
224.04704	2.5
225.05424	0.4
227.07076	0.3
228.04207	0.5
240.04185	4.6
241.04892	0.3
252.04167	0.2
255.06537	5.0
257.08069	0.3
261.12897	0.1
268.03659	2.9
269.04495	0.4
270.05264	0.6
281.04465	10.8
282.04886	0.3
283.06036	3.5
285.07492	0.5
297.03949	1.5
298.04733	31.0
299.05096	0.6
313.07062	100.0
314.07364	1.7
561.12561	1.3
561.32416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70260	0.1
68.99786	0.4
69.96187	0.6
82.73325	0.1
87.74294	0.1
115.05459	0.2
128.06161	0.1
139.05478	0.4
144.05687	0.4
145.02853	0.3
146.03615	0.2
152.20064	0.1
155.04903	0.8
156.05685	0.3
167.03534	0.2
167.04936	1.7
170.03610	0.6
171.04404	0.6
184.05170	0.8
185.06139	0.2
186.06718	0.2
187.07568	0.4
195.04427	1.4
196.05190	0.2
199.07520	0.5
212.04669	2.1
213.05484	0.3
214.06274	0.2
223.03893	0.7
225.05508	0.5
227.06981	1.3
240.04179	5.6
241.04836	0.2
242.05815	0.3
253.04933	1.3
254.05748	0.2
255.06531	8.6
257.08185	1.6
268.03668	6.4
270.05283	1.7
281.04214	0.2
283.06015	8.8
284.06525	0.2
285.07645	0.3
298.04745	6.1
313.07056	100.0
314.07425	2.1
428.15134	0.2
456.89944	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.1
55.01883	5.2
55.05511	13.3
57.03458	4.1
57.07074	9.7
64.51978	3.3
67.05506	23.5
68.99812	4.3
69.03437	20.3
69.07060	9.7
70.06600	54.0
70.07419	4.3
71.04993	4.6
71.58032	3.2
71.58471	3.9
75.23922	3.7
79.05495	11.3
80.60611	3.4
81.03422	21.4
81.07056	22.7
83.04987	5.4
83.08614	8.0
85.02894	29.7
85.06548	100.0
87.00838	14.5
91.05490	10.8
93.07055	11.0
94.66331	3.7
95.08611	26.2
95.30139	3.5
97.02882	13.0
97.06539	3.8
99.04462	7.9
99.08102	76.9
105.01852	3.9
105.07029	13.8
107.08591	9.9
109.02876	19.7
109.06602	5.3
109.10161	14.3
110.10537	3.7
112.07608	43.7
115.03819	4.4
119.08582	20.7
121.10162	17.8
123.08092	5.1
123.11736	9.4
125.09618	6.7
127.03957	21.0
131.08583	5.3
133.10136	17.7
134.22729	4.4
135.11673	7.0
137.09589	4.3
139.11177	5.9
140.07103	24.0
141.12807	3.6
143.08560	5.9
145.04965	8.7
145.10103	10.0
147.11726	16.6
149.13144	4.3
157.10103	6.1
158.08153	5.4
159.02879	6.3
159.11711	8.6
161.06032	4.9
163.03914	15.4
165.12758	8.2
171.11667	7.8
175.14832	5.1
185.13374	9.2
189.05592	3.5
199.14795	5.3
201.16507	5.3
231.04912	4.0
241.08633	12.8
241.19522	8.1
241.35915	3.8
259.20605	91.1
277.21631	6.3
298.04755	16.0
312.29672	6.0
313.07092	56.2
340.98486	3.8
398.13443	7.2
399.10794	5.4
525.26929	34.4
560.28058	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	560.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32634	0.5
55.01864	1.0
55.05512	0.6
55.97675	0.6
56.47818	0.5
57.03442	1.5
61.02922	1.5
67.05502	1.4
69.03439	3.1
69.43099	3.6
70.06583	1.0
71.05007	0.7
72.08102	0.5
73.02912	1.2
81.03402	1.6
82.06583	0.7
83.01345	0.7
85.02911	7.6
85.06546	0.6
87.04483	1.1
91.05451	0.6
93.07003	0.8
95.08667	0.6
97.02917	2.8
99.04446	0.9
102.05528	0.9
109.02852	1.3
126.09149	0.7
127.03914	1.6
128.07097	1.2
128.10686	0.8
134.04637	5.3
145.04927	0.7
152.05730	1.2
158.07143	0.8
165.02280	5.5
167.02586	0.8
167.03850	0.7
175.09874	0.8
181.05441	1.5
182.04974	100.0
185.08238	0.7
190.03056	0.8
194.04933	3.6
195.47920	0.6
200.09338	1.3
205.05388	2.5
216.04688	2.2
219.07013	0.7
221.08604	1.3
224.05960	0.7
231.06984	11.0
248.09657	26.1
266.10727	54.7
267.11008	0.9
314.09064	1.4
314.12350	0.6
380.13571	1.4
398.14941	9.1
426.60556	0.6
428.16028	46.7
429.15900	0.7
560.20148	26.7
561.20135	0.9
561.32373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61590	0.8
53.03944	1.8
55.05498	2.4
56.05040	7.5
57.03427	1.8
58.06604	1.3
61.02917	1.3
67.05520	4.0
69.03432	6.7
69.07064	1.0
69.39656	1.4
69.40067	5.5
70.06587	3.5
70.97644	0.8
71.04991	1.9
72.08149	2.7
74.06089	3.8
79.05495	4.4
81.03416	2.6
81.07044	3.2
82.06593	1.9
83.04974	4.4
84.04502	1.9
84.08159	1.1
85.02911	9.3
86.09689	2.3
88.97160	0.7
91.05486	3.0
91.35748	0.9
93.07054	2.5
95.04990	3.9
95.08613	2.6
96.08135	2.3
97.02900	5.3
97.06543	1.9
99.04458	4.8
102.05548	92.4
105.07038	5.2
107.04974	6.7
107.08594	1.8
108.08097	1.0
109.02880	1.9
109.06528	3.0
109.10157	11.3
111.04446	1.3
112.11237	2.1
117.07018	1.3
119.08572	4.9
120.08109	0.8
121.06514	1.9
121.10159	1.2
125.06010	1.3
127.03892	3.0
128.06227	1.9
128.07114	3.6
128.10725	4.4
128.71555	0.8
129.07050	1.5
133.10130	5.3
135.04443	1.3
135.08069	0.9
137.05984	1.2
137.09616	20.7
143.08571	5.7
145.04927	1.0
145.10172	1.6
147.08043	7.7
149.09636	1.1
156.10205	4.8
159.08031	1.0
161.09634	32.5
163.11147	1.4
165.09123	29.1
171.08025	0.9
174.11267	12.2
176.10576	1.0
177.05505	1.5
177.58611	0.8
179.10661	5.8
185.09460	0.8
189.09106	5.7
197.11697	1.6
207.10197	13.4
215.53778	0.8
225.11331	3.1
264.73630	0.9
308.21149	0.8
332.13333	0.9
352.21423	1.1
370.22375	2.0
398.21777	22.1
514.26520	2.3
560.27075	100.0
561.27075	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	559.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
53.88272	2.8
55.05516	55.5
57.03439	3.9
57.07071	12.5
62.40261	2.6
65.03940	3.8
67.05507	54.0
69.03429	3.2
69.07070	94.9
69.32218	21.2
69.32627	5.4
71.04996	4.7
71.08638	7.3
71.57273	2.9
76.61126	3.1
79.05491	25.4
81.03440	4.1
81.07061	86.1
83.04968	6.3
83.08624	67.6
85.06532	8.2
85.10189	3.8
88.13879	3.1
91.05489	64.7
93.07050	42.1
95.04960	6.3
95.08609	85.4
97.06546	14.8
97.10174	65.9
97.43421	3.6
99.08089	7.1
105.07040	39.1
107.04950	4.5
107.08607	32.6
109.06528	6.2
109.10159	45.6
111.08118	9.3
111.11749	37.1
113.09628	3.1
117.07027	7.8
119.08575	38.1
121.06499	3.6
121.10134	45.4
123.08105	7.2
123.11699	18.9
124.46772	4.0
125.09642	7.8
125.13274	13.1
129.07004	4.9
131.04970	4.9
131.08560	10.9
133.06494	3.7
133.10149	38.2
135.04417	5.0
135.08026	4.7
135.11702	29.4
137.09628	12.0
137.13263	9.4
139.11206	11.9
141.06979	3.8
141.09099	3.2
143.08553	8.4
145.10115	8.7
147.04401	6.5
147.11684	22.9
149.02330	7.5
149.09689	4.1
149.13274	9.0
151.03888	8.7
151.07600	3.4
151.11189	16.8
151.14838	10.7
153.12749	13.5
155.08559	4.0
155.10690	4.0
157.10130	5.9
157.12273	6.5
159.08002	3.9
159.11671	7.0
161.06087	3.6
161.13326	15.6
165.12784	13.1
167.03435	11.4
167.08595	3.9
169.12325	5.1
171.08043	4.5
171.13783	3.8
175.14803	10.6
177.05501	6.3
179.03345	3.6
179.08542	6.1
179.14336	7.7
183.13759	3.4
185.13269	3.7
191.07158	4.7
193.15739	3.6
193.19603	5.7
194.76808	3.6
203.03387	3.6
203.07076	12.5
205.04875	3.6
213.12674	4.1
217.19543	69.2
225.08978	3.7
227.07082	6.0
235.20580	88.4
237.13124	3.0
243.10046	4.5
245.08246	3.1
251.07071	9.6
253.08646	28.1
253.21632	100.0
254.21841	4.7
257.19266	3.2
263.07083	7.8
265.08755	5.0
265.11649	3.4
267.10226	6.5
271.22656	42.7
275.07132	3.3
281.08182	4.0
285.27499	3.5
299.12808	4.2
313.10638	6.5
341.11475	3.5
383.16232	4.8
391.19116	23.5
401.17566	7.0
419.18698	15.9
541.29230	7.0
559.36316	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	559.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.2
55.01865	6.5
55.05516	18.9
55.74688	1.7
57.03434	6.8
57.07082	11.2
61.02916	4.0
65.03946	3.2
67.05509	26.5
69.03436	21.3
69.07071	39.9
71.01323	2.4
71.04994	5.7
71.08640	4.0
71.58694	3.1
73.02911	5.3
77.28957	1.6
79.05497	16.0
79.42569	1.8
81.03424	21.6
81.07064	75.3
83.05000	2.9
83.08627	22.9
85.02911	50.5
85.06531	12.5
87.00842	27.8
91.05483	7.4
93.07058	19.8
95.04964	4.2
95.08614	96.8
97.02888	23.8
97.06516	3.9
97.10178	19.0
99.04446	8.2
99.08088	6.7
105.01878	17.6
105.07022	8.0
107.04999	4.7
107.08604	17.8
109.02881	18.7
109.06528	3.2
109.10167	47.8
110.97594	2.1
111.04494	2.8
111.08079	3.5
111.11726	13.5
117.06965	2.9
119.08577	7.5
120.08131	2.5
121.06499	5.7
121.10153	13.8
123.04394	2.3
123.08085	3.4
123.11720	25.0
125.09641	3.2
125.13299	7.8
127.03929	37.7
127.11138	3.2
131.08553	3.1
133.10152	6.0
135.04439	2.3
135.11691	8.2
136.05220	8.8
137.02301	3.2
137.05992	5.2
137.09694	2.2
137.13266	14.2
139.07545	2.2
143.14287	4.6
145.04962	10.6
145.10109	5.0
147.04399	2.3
147.11707	4.8
147.50264	2.2
148.05200	9.5
149.13283	20.0
151.06407	3.9
151.07547	43.8
151.14830	24.1
157.10141	2.9
159.02919	8.4
159.11746	2.7
161.13246	3.3
163.14812	9.8
165.16409	12.9
173.13263	2.1
175.11241	2.0
177.05502	3.2
177.16443	2.4
179.07050	100.0
179.17935	6.5
183.17375	2.7
189.05539	2.2
189.12949	2.7
191.07079	4.8
191.17946	3.3
193.19472	2.9
219.21051	3.9
231.05013	6.8
249.25795	7.2
257.08038	2.6
267.05798	1.9
267.26791	6.9
271.06021	7.3
275.27365	17.3
285.03940	3.4
293.28445	23.9
299.09036	5.4
301.07092	2.6
307.06110	2.5
311.05438	5.0
311.09201	6.7
311.29437	37.6
312.09509	7.7
313.09714	7.3
329.06543	2.1
367.15259	4.6
368.15753	4.3
369.16058	7.5
383.29428	3.7
395.14835	4.8
396.15094	3.0
397.12012	14.5
401.30356	5.2
423.11066	2.4
427.13779	4.2
439.13840	16.8
493.15002	12.0
505.14874	8.5
559.18817	7.2
559.28253	9.7
559.37634	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	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.5
55.05510	26.8
57.03430	9.0
57.07074	4.4
64.82109	2.6
65.03931	4.4
67.05508	82.5
69.07066	27.4
71.56365	4.9
72.13193	2.9
79.05494	89.9
81.03400	7.2
81.07063	78.1
83.04980	11.9
83.08617	11.6
90.01460	2.6
91.05489	100.0
93.07051	90.2
95.04980	17.8
95.08612	62.7
97.06530	5.3
97.10168	5.1
105.03410	3.2
105.04482	3.5
105.07037	67.9
107.04957	7.0
107.08595	39.0
109.06510	11.0
109.10172	26.4
109.62169	3.3
111.08060	4.7
117.07013	20.7
119.08579	52.4
121.10125	19.7
123.08075	6.5
123.11660	7.8
126.22564	3.0
128.06252	5.7
129.06995	16.6
131.08575	16.0
131.56328	2.9
133.10155	25.4
135.11697	13.4
141.07022	2.8
143.08583	9.6
145.10132	29.9
147.08060	3.3
147.11696	36.8
149.13286	8.0
157.10143	7.7
159.11708	16.4
161.09651	3.3
161.13222	17.4
163.11122	3.2
169.10123	3.3
171.11707	24.0
173.13316	5.5
181.04907	2.8
181.10318	3.3
185.13252	2.8
187.14857	6.8
189.05502	5.8
189.12750	12.4
191.08655	3.8
193.10216	3.3
203.07045	7.8
203.17941	6.5
207.13818	21.1
219.08011	3.6
219.17513	7.9
237.09096	5.9
239.10747	4.0
243.21234	5.3
255.09863	4.6
261.22098	8.5
267.10208	52.7
279.15842	5.2
281.17505	35.5
285.11298	4.8
307.09656	3.0
321.14935	8.3
323.16336	7.8
325.10623	5.1
335.25833	41.7
339.15900	31.1
357.13492	6.3
467.34970	4.0
541.39307	58.8
559.33698	10.7
559.41010	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	559.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
55.01869	6.5
55.05515	18.5
57.03438	4.1
57.07089	9.1
61.02926	5.0
61.95530	1.9
67.05507	27.4
68.99783	2.8
69.03072	2.2
69.03435	30.4
69.07070	50.3
69.27556	7.9
69.27991	7.5
69.86449	2.2
71.01354	1.9
71.04989	6.7
71.08633	4.8
73.02911	4.7
79.05498	10.4
81.03422	21.4
81.07063	85.6
83.08630	26.8
85.02418	3.5
85.02911	56.7
85.06555	14.5
87.00838	28.8
91.05493	6.7
93.07050	19.3
95.08611	100.0
97.02885	22.3
97.06535	2.6
97.10180	18.1
98.97566	2.5
99.04461	7.1
99.08102	9.1
103.03961	1.8
105.01871	21.1
105.07030	6.6
107.08591	18.4
108.07056	1.6
109.02887	16.6
109.10158	54.9
111.04431	3.6
111.08055	2.7
111.11730	16.1
119.08591	5.2
121.06574	2.2
121.10138	13.2
123.11713	28.3
125.09599	1.9
125.13289	9.0
127.03917	35.3
127.11164	2.2
129.12714	3.0
131.08574	4.0
133.10153	4.4
135.08069	2.7
135.11700	12.5
137.13283	18.8
138.13509	1.7
143.14310	3.7
145.04973	10.6
145.10179	3.1
147.11705	4.4
149.13257	22.3
151.14816	27.1
157.15930	2.2
159.02924	9.5
159.11731	1.9
161.09624	2.0
163.14825	13.3
165.16431	12.4
171.11639	2.1
177.16405	5.3
179.17964	7.1
183.17412	3.1
189.04070	2.0
191.17973	2.8
205.19539	1.7
219.21075	4.0
223.20622	2.3
231.05087	5.5
237.22166	3.4
249.25789	5.3
267.26785	8.7
275.27368	16.9
293.28387	28.2
301.06631	2.4
311.29514	30.2
383.29376	2.5
397.12836	2.0
401.30609	3.2
499.29163	2.4
505.31430	3.0
567.03595	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	559.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	18.5
62.86993	3.6
67.05508	29.4
69.07059	16.5
69.21684	40.8
71.05005	9.2
79.05513	30.2
80.02808	4.1
81.07072	43.1
83.04994	5.7
83.08611	9.5
91.04967	7.0
91.05489	97.4
93.07062	35.2
95.08617	24.3
97.10192	4.9
103.05479	3.7
105.07043	59.8
107.08585	18.3
108.03436	4.2
109.10162	19.9
117.07024	17.5
119.08578	32.9
120.44894	4.5
121.10152	18.0
123.11667	4.4
129.07001	11.0
131.08575	24.5
133.10129	22.5
135.08121	5.2
135.11668	7.2
141.06976	5.7
143.08595	10.7
145.10115	20.3
147.11697	18.5
149.09628	17.5
149.13292	5.5
155.08549	4.6
157.10188	10.3
159.11723	22.4
161.13269	24.1
163.11163	16.1
166.07809	4.4
171.11676	6.7
173.13246	8.5
175.14790	5.2
181.10158	8.7
186.14217	3.8
189.05455	9.3
193.10229	4.1
201.16385	19.8
203.07083	7.1
203.17929	10.2
209.09607	7.0
211.07491	4.7
219.15453	5.1
219.17471	62.8
222.94710	3.9
237.09100	5.1
267.10214	100.0
267.13068	5.7
281.11676	4.6
285.11081	6.2
307.09439	4.4
321.14810	17.4
323.16406	19.9
325.92740	5.9
339.15924	20.2
435.32382	5.7
471.34219	4.6
483.28885	8.0
509.35849	5.0
515.23975	8.2
527.37427	19.7
528.71411	4.4
541.33185	18.3
559.24152	24.7
559.33661	20.7
559.40051	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.6
57.03441	2.3
67.05492	1.8
69.03404	1.3
70.06606	2.8
71.57249	2.1
72.08143	1.2
73.02926	2.0
82.06562	5.2
84.08131	1.5
85.02919	2.8
91.05471	1.3
97.02856	1.6
98.97584	4.4
110.06046	11.1
118.06551	3.4
126.05527	4.8
128.07101	1.5
130.41208	1.3
136.07587	46.9
137.05997	1.5
138.05527	2.1
144.08147	1.5
146.06039	9.0
152.06989	1.5
162.05507	1.7
164.07082	98.6
182.08142	100.0
188.07071	12.2
205.09744	5.5
219.01740	2.2
235.06995	1.5
237.02838	1.5
256.04950	1.5
259.04388	1.4
301.11765	1.4
302.10254	1.4
319.12943	6.6
337.13974	11.2
355.15054	6.9
378.90692	1.4
447.72211	1.5
559.24860	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	559.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17875	1.0
53.03950	1.1
55.05507	2.5
55.17427	1.1
65.03934	1.9
67.05514	7.3
69.07064	7.4
71.58810	1.5
78.62087	0.9
79.05488	3.8
81.07042	5.4
83.08654	1.2
86.49957	1.0
88.25908	0.9
91.05483	34.3
93.07034	5.6
95.04983	1.7
95.08611	6.4
103.05458	2.4
103.26518	0.9
105.03403	1.5
105.07040	37.7
107.08601	6.6
109.10165	5.6
115.05440	1.1
117.07024	4.5
119.08586	52.9
120.36343	1.1
121.10179	2.8
123.11692	1.5
129.07001	2.4
131.04933	2.5
131.08577	2.5
133.10130	6.7
135.11728	2.8
143.08539	1.5
145.10149	9.2
147.11708	6.8
149.05997	3.4
159.04407	3.3
159.11719	3.3
161.13292	1.8
163.14801	1.2
165.07014	2.2
166.07753	5.8
173.13257	2.0
174.84435	1.0
175.14886	2.4
177.05440	9.5
178.07745	2.0
179.08578	3.7
181.10165	7.8
187.14859	1.7
189.05489	9.5
189.07045	1.7
189.16478	1.1
191.07097	1.2
191.08617	4.8
194.07262	3.4
201.05458	2.4
201.16373	5.6
203.07043	3.3
203.10620	1.6
203.14337	1.9
203.17963	7.2
209.09538	5.6
211.11113	1.3
219.08055	2.0
231.10185	1.6
235.07651	1.1
237.09135	10.6
239.10663	5.6
243.10149	2.0
249.09158	3.3
251.10652	2.2
255.10197	13.3
267.10178	90.7
268.10400	1.6
269.11707	2.5
279.10175	2.5
285.11392	1.5
287.23608	3.4
295.13403	1.4
309.14874	4.6
321.14847	5.6
323.16354	5.9
337.14435	2.1
339.15924	100.0
340.16449	1.8
471.28867	1.7
523.31946	3.5
541.33130	32.0
559.34271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01860	1.0
57.03425	1.9
59.04993	0.8
61.02914	1.9
69.03432	4.7
69.58580	3.0
71.04994	0.8
73.02905	2.2
77.02363	0.5
81.03413	2.0
81.07051	0.5
83.04930	0.6
85.02903	8.8
85.06522	0.5
86.09658	0.5
87.04473	1.0
91.05526	0.5
93.07043	0.6
95.08638	0.5
97.02901	4.4
99.04445	0.8
105.07092	0.5
109.02895	1.9
127.03906	2.2
133.02864	0.8
134.46667	0.5
137.05936	1.3
145.04991	1.5
162.03114	1.1
177.05527	3.0
181.06496	0.5
185.05902	0.7
203.03299	0.5
205.06706	0.5
209.06029	1.3
219.08119	0.7
221.06026	1.9
230.47050	0.5
237.05470	7.3
239.03632	0.6
249.05489	8.3
251.03316	2.7
251.07227	0.9
261.05582	0.7
263.03436	1.1
263.10736	1.2
264.04166	0.5
265.04974	25.1
266.05780	1.4
269.08105	0.7
273.09073	1.1
275.07123	0.7
276.04529	0.6
276.07901	1.8
277.04984	24.5
279.06628	2.3
279.09656	0.6
283.06387	0.5
291.10153	5.8
293.04501	9.9
293.07867	0.8
294.05170	0.7
295.06015	1.1
295.13272	0.9
297.07571	2.1
301.08670	1.2
303.06540	1.2
304.07343	1.2
305.04523	11.1
305.08139	2.0
306.05228	1.7
307.05978	2.1
309.07587	1.8
309.11063	0.9
310.04785	1.3
310.80396	0.5
311.12839	0.9
319.09668	25.2
321.03952	11.1
321.07437	0.8
322.04770	5.1
323.05518	1.3
323.09171	1.3
325.07114	5.6
332.06729	0.9
333.07404	1.2
335.05515	2.2
336.06302	20.6
337.07031	14.5
337.10773	18.5
347.09201	7.4
348.09930	1.6
349.07169	1.1
351.12387	1.9
364.09430	1.2
365.10233	8.7
366.10953	1.2
369.13321	0.8
379.11789	44.2
380.12131	0.7
382.10645	1.2
397.12851	100.0
398.13150	1.2
458.26035	0.5
529.30261	0.6
559.17944	9.2
559.31232	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	559.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
67.03198	1.3
67.05489	1.4
67.34149	1.2
69.03423	2.6
69.07044	1.5
70.06573	1.5
70.52822	2.0
70.53194	2.4
71.04963	1.2
71.61928	1.1
72.08147	3.7
79.05484	2.6
81.03397	2.2
81.07054	1.9
82.06595	1.2
85.02914	2.7
85.06510	1.6
87.52863	1.1
91.05453	2.6
93.07043	1.7
93.65626	1.2
95.04942	1.1
95.08633	2.2
98.97571	1.8
100.07616	1.9
107.08613	4.3
109.02880	2.0
109.10173	1.5
117.96998	1.1
118.38955	1.0
119.08544	1.2
121.06546	1.2
121.10143	3.5
127.03902	2.5
128.07047	1.3
137.05981	3.7
142.08650	17.4
143.08945	3.7
161.05983	1.6
177.16260	1.9
179.07021	1.6
181.08600	2.1
187.07509	1.4
194.09343	2.5
209.11742	8.1
214.01720	1.3
279.10141	1.9
292.06265	1.2
311.12778	4.5
346.14853	1.9
365.16519	1.6
397.11862	3.7
397.25586	1.3
439.13336	1.4
529.29755	1.5
538.30688	1.2
558.32581	4.2
559.17731	100.0
559.30896	56.8
580.23779	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44546	4.2
55.05504	22.4
55.52268	4.7
55.62304	5.0
57.03431	18.9
57.07087	39.7
60.31475	5.0
62.35146	5.6
67.05514	28.0
69.07050	22.6
69.60789	18.5
69.61222	17.8
71.04971	5.3
71.08645	28.5
79.05509	26.9
80.05029	5.5
81.03433	55.3
81.07063	50.5
83.04980	16.2
83.08632	29.7
84.37666	5.0
85.02901	19.0
85.10190	16.7
89.06002	15.9
91.05471	35.0
93.07060	27.1
95.04961	18.5
95.08614	36.7
97.10168	13.5
105.07047	28.5
107.08569	10.5
109.10140	17.2
111.08053	8.0
119.08627	29.9
121.10153	13.1
123.11711	7.8
129.06996	11.0
131.08531	14.9
133.10146	9.5
147.11650	15.8
149.09622	7.7
150.59279	5.5
152.62346	5.9
157.10120	9.2
171.11707	6.0
175.11212	10.8
193.12280	38.2
203.07025	7.9
211.13295	63.0
267.15857	15.6
284.26654	9.9
285.17007	69.0
313.27383	100.0
339.15714	6.4
341.21054	5.0
387.63275	6.4
387.68323	5.5
505.38943	12.5
523.39972	63.2
546.48944	5.5
558.38422	8.3
558.53986	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.3
55.05511	20.6
57.07063	11.9
59.04998	5.9
67.05511	39.9
69.03423	13.0
69.07071	60.7
69.55441	14.0
69.55865	14.0
70.06582	10.9
71.04997	14.7
72.08145	8.2
79.05489	22.7
81.03462	5.0
81.07066	88.9
82.06584	4.0
83.04990	21.0
83.08646	5.9
84.08148	15.0
85.02921	21.4
85.06553	100.0
86.09731	6.2
91.05500	20.5
93.06537	6.4
93.07063	66.6
93.29737	3.5
95.04978	29.5
95.08618	59.5
96.05290	5.0
97.02890	12.8
97.06512	17.7
97.10146	5.5
99.04430	5.4
99.08104	29.6
99.28513	4.5
100.07591	8.9
105.07050	26.8
107.08599	44.7
109.02873	4.5
109.06497	9.4
109.10171	41.9
111.08086	30.1
111.11707	12.1
113.09641	4.5
119.08613	22.8
121.06520	6.3
121.10153	58.4
123.11734	27.0
125.09608	14.3
126.89508	4.6
127.03874	11.4
131.08571	12.1
133.10117	23.7
135.11687	28.3
136.31006	4.0
137.05962	8.6
137.09601	5.4
137.13284	7.6
139.11194	45.9
143.10660	9.6
145.02840	6.1
145.10109	11.2
147.11674	17.6
149.13313	25.0
151.11180	22.8
153.12653	4.8
155.10696	4.8
157.10266	5.9
157.12268	79.9
159.11703	7.7
161.13239	10.0
163.14864	4.9
165.12711	6.5
167.07019	11.0
167.14331	17.9
168.10201	7.7
169.12213	5.8
173.13231	7.0
177.05464	12.9
178.05663	5.4
186.11305	8.2
189.16365	6.4
191.14240	5.7
201.16304	5.9
203.17969	8.6
207.17426	9.8
217.19487	4.3
218.13998	4.8
227.16302	4.6
269.22693	6.8
275.17770	5.2
275.23679	11.0
275.96509	4.2
287.23752	14.2
293.24738	18.4
302.10175	4.3
305.24747	31.2
311.25732	17.3
323.25775	37.9
341.26929	27.1
359.28082	21.8
377.29190	4.8
557.16571	7.2
557.23657	21.4
557.31659	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	557.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.8
53.04166	2.2
53.72376	2.3
55.01881	11.9
55.05509	18.6
57.03436	9.5
57.07070	6.9
61.02904	8.2
67.05516	37.8
68.05813	2.4
68.99780	5.0
69.03435	42.7
69.07069	32.8
70.08978	11.4
71.04978	8.5
73.02916	3.8
79.05490	19.3
81.03424	34.7
81.07064	92.7
81.91669	2.2
83.08636	17.6
85.02913	100.0
85.06550	48.9
87.00842	31.6
87.37004	2.7
91.05491	12.2
93.07053	38.4
94.06558	5.3
95.04972	5.8
95.07368	5.0
95.08615	78.3
96.08147	13.3
97.02889	29.3
97.06545	5.3
97.10167	13.8
99.04480	20.3
99.08103	43.8
102.05527	2.6
105.01891	31.8
105.07040	15.2
107.08594	38.1
108.08109	9.1
109.02890	32.7
109.06519	2.8
109.10163	64.2
110.09702	18.0
111.08068	9.5
111.09996	5.9
111.11716	8.2
113.09614	5.3
117.01811	3.0
119.08588	13.4
120.08125	11.8
121.06596	3.8
121.08388	4.0
121.10163	28.6
123.04450	2.5
123.08070	3.3
123.11714	26.4
124.07590	9.1
125.09653	6.0
125.13255	3.3
127.03926	72.8
127.11211	5.6
129.01857	6.2
131.08577	4.0
133.10118	11.3
135.08000	3.4
135.11691	19.1
136.07570	5.6
137.13245	13.1
138.09134	23.8
139.09460	9.2
139.11153	2.8
145.04944	25.1
145.10092	4.5
147.07959	3.5
147.11656	10.7
148.07593	5.6
149.13278	42.2
151.14861	5.1
152.07100	4.6
153.12749	7.8
155.14272	3.0
157.10011	2.6
159.02881	18.4
159.11700	5.2
161.13266	5.4
163.14842	26.1
166.08670	39.2
167.09052	15.0
167.14326	4.4
172.03963	14.2
173.04268	5.4
173.13242	3.7
175.14920	4.1
177.05428	2.9
177.16420	12.7
189.03891	2.8
189.16345	4.8
190.04993	11.4
191.05247	2.9
191.17941	6.4
198.07616	2.9
203.17979	6.0
204.06514	19.0
205.06894	10.4
209.19022	4.0
217.19518	9.9
221.11366	3.5
225.10052	3.5
227.20174	3.0
231.05020	15.4
235.20387	3.6
237.10202	5.0
238.10635	6.2
242.47441	3.0
247.24133	5.6
252.08507	3.0
256.11655	2.6
265.09714	8.9
265.25137	5.6
266.09991	10.7
273.25824	15.5
279.07413	2.8
280.07901	4.7
281.09137	3.3
282.09521	4.5
284.11179	3.8
289.25238	5.1
291.26834	49.5
293.09106	5.4
294.09494	6.5
295.10687	6.8
296.11096	5.2
299.10040	2.9
300.10474	3.8
309.27853	51.7
311.10312	4.5
312.10556	7.4
321.08749	7.4
322.08957	7.4
325.11740	7.4
326.12128	10.3
328.10202	6.8
339.09833	6.0
340.10132	5.3
341.11078	4.4
353.11221	5.1
354.11517	11.3
359.12543	6.2
360.12680	17.5
372.12756	9.5
381.27618	4.2
392.16098	2.6
395.11072	4.0
399.28690	4.6
447.17307	3.8
465.18713	11.9
475.17136	4.8
481.21219	7.0
485.28986	3.2
493.17923	27.2
503.29752	5.5
507.19632	20.0
521.30853	3.3
525.20679	14.9
539.22412	4.9
557.23834	4.5
557.33246	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	557.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68713	3.4
53.03944	14.1
55.01876	6.7
55.05521	30.4
56.96572	3.9
57.03426	4.7
57.07071	11.6
61.02917	8.1
65.03951	4.8
67.05514	49.1
68.99794	7.5
69.03436	56.6
69.06720	4.3
69.07076	56.7
70.44363	7.1
71.01351	3.2
71.04988	13.7
71.08636	6.9
73.02906	5.2
79.05504	23.3
81.03432	60.8
81.07063	100.0
83.04986	11.7
83.08636	28.5
85.02919	75.9
85.06544	9.0
85.10201	3.0
86.76939	3.1
87.00837	23.2
89.03915	5.6
89.63432	3.0
91.05496	18.5
91.97950	3.4
93.07053	45.0
95.04975	13.4
95.08615	92.5
97.02902	35.0
97.06520	6.4
97.10168	12.9
99.04460	16.0
99.08102	6.6
100.00897	3.1
103.36686	3.1
105.01854	12.3
105.07054	31.4
107.05007	4.8
107.08608	40.6
109.02893	66.5
109.06528	4.3
109.10163	56.5
109.50070	2.8
111.04471	6.3
111.08088	5.8
111.11719	13.8
117.03386	9.5
117.07002	5.9
119.08597	25.2
121.06538	5.6
121.10148	32.5
123.04457	4.4
123.08132	10.1
123.11699	31.3
125.13318	3.6
127.03926	73.2
129.01849	4.1
131.08563	9.0
133.10139	23.7
135.11710	16.0
137.02345	3.6
137.09612	5.8
137.13260	15.4
139.11198	7.7
143.08582	3.8
145.02858	31.1
145.04994	10.4
145.10144	11.2
147.11662	17.2
149.05988	4.4
149.13274	32.5
151.14774	7.6
155.08699	3.5
157.10107	5.5
159.02888	11.3
159.08037	4.1
159.11670	8.0
161.13263	13.5
163.14827	18.3
165.12740	6.3
167.07167	3.6
169.10080	4.3
171.11758	4.1
175.14867	5.3
177.05484	57.9
177.16438	10.4
179.14388	4.3
179.17978	4.7
183.11694	4.1
189.03979	4.6
189.16478	5.8
191.17990	6.6
197.60068	3.0
201.09245	3.4
213.03998	7.0
217.19592	3.2
231.04979	17.3
242.63809	3.1
273.25784	30.9
273.28571	4.5
279.26843	9.6
291.26889	48.1
307.26236	4.7
309.27924	59.2
333.28043	7.2
359.16971	3.7
375.28986	4.3
381.27826	5.4
399.28873	10.4
411.14667	6.9
417.30020	3.5
435.30847	4.1
503.29929	4.7
521.31262	4.0
539.32544	3.9
557.33008	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	557.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.8
55.01881	9.9
55.05516	17.9
57.03440	8.7
57.07065	6.2
61.02910	6.2
67.05174	2.1
67.05509	28.8
68.99798	4.9
69.03082	2.8
69.03435	47.3
69.07069	28.9
71.04988	7.7
71.08610	1.6
73.02910	8.0
79.05493	16.6
81.02981	2.9
81.03426	44.2
81.06582	2.4
81.07060	61.0
83.08622	15.2
84.08150	100.0
85.02911	90.8
85.06556	15.4
87.00834	28.7
87.04465	2.6
91.05479	12.8
93.07056	38.7
95.04961	5.3
95.08614	61.9
97.02896	26.4
97.06544	10.1
97.10164	10.6
98.03725	1.8
99.04461	17.7
99.08073	2.6
105.01868	22.1
105.07050	16.0
107.08605	41.7
109.02894	38.5
109.06487	4.3
109.09451	2.7
109.10155	30.3
111.08102	25.8
111.11690	4.9
117.01857	2.8
117.07003	3.0
119.08596	13.9
121.06497	1.8
121.10155	28.3
123.08066	2.8
123.11710	19.9
125.05965	2.2
125.09585	5.2
127.03929	64.2
128.06230	2.1
129.01846	5.8
129.07039	2.9
129.09108	2.9
129.25189	1.8
130.08635	9.3
131.08556	1.9
133.06430	2.2
133.10135	8.9
135.11710	11.7
137.09642	2.1
137.13248	9.6
143.08531	2.2
145.04974	17.7
145.10127	5.0
147.02853	5.3
147.08028	2.5
147.11714	9.7
147.30824	2.0
149.09604	2.0
149.12186	3.0
149.13275	43.5
151.11121	2.8
151.14816	1.9
157.10155	3.0
159.02921	17.5
159.11676	4.3
161.09630	3.6
161.13214	6.3
163.11188	2.2
163.14842	11.2
165.06960	1.8
165.09137	2.4
165.16365	2.1
167.14293	7.3
175.14740	3.3
177.04015	1.8
177.05475	4.8
177.16324	3.5
189.03897	3.6
189.16402	2.4
191.18031	2.0
195.17513	2.1
203.10408	2.5
203.18008	2.6
209.18988	2.2
213.03999	5.1
213.16353	2.0
217.19460	2.6
231.05048	12.3
239.23642	2.0
242.30159	1.7
265.25305	3.0
273.25766	5.3
279.26730	2.2
289.25244	2.4
291.19632	2.0
291.26834	29.5
303.26950	2.8
307.26352	3.1
309.20587	2.8
309.27908	49.5
332.25952	3.1
333.27951	2.6
363.28860	2.5
377.27390	2.2
395.11392	2.7
395.24390	3.4
395.29132	47.7
399.28998	4.3
503.30127	2.1
513.27271	3.2
521.30981	6.3
539.31940	4.8
557.25775	9.1
557.33875	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75060	1.2
53.03948	7.8
54.01491	1.2
55.01878	10.4
55.05515	20.0
57.03441	7.7
57.07076	9.5
59.04985	2.6
61.02917	5.8
65.03931	1.7
67.05181	2.0
67.05508	30.8
68.99779	4.7
69.03082	1.7
69.03436	36.3
69.07071	61.5
70.06563	1.2
70.08019	1.2
71.05014	9.7
71.08621	2.0
73.02903	5.4
74.54085	1.2
79.05489	18.6
81.03421	38.0
81.07060	100.0
83.04969	4.5
83.08633	17.7
85.02906	76.1
85.06546	40.7
85.07063	1.9
87.00838	30.4
91.05481	13.9
93.07053	37.4
95.04987	6.2
95.08611	82.2
97.02893	25.3
97.06510	4.5
97.10178	11.1
98.20740	2.2
99.04472	14.8
99.08099	26.7
103.03949	2.0
105.01862	18.0
105.07045	16.4
107.08597	44.6
109.02885	29.3
109.06506	4.7
109.10164	45.3
111.04446	2.5
111.08083	10.8
111.11718	14.3
113.09620	3.4
115.03896	1.9
117.01839	3.4
117.07008	2.5
119.08582	15.3
121.02883	2.3
121.06530	2.4
121.09309	2.2
121.10151	38.4
123.04399	1.7
123.08086	2.0
123.11718	22.4
125.09634	4.8
125.13220	2.3
127.03925	49.2
127.11188	3.8
128.06186	1.7
129.01802	3.4
131.08521	3.7
133.06511	1.6
133.10141	11.1
135.08029	3.6
135.11703	19.0
137.05945	2.4
137.09660	1.3
137.13257	24.0
138.09064	1.3
138.68573	1.2
139.11189	12.1
141.10242	1.5
143.08519	3.4
145.04955	14.6
145.06084	1.7
145.06479	1.4
145.10153	6.0
147.02863	2.6
147.08032	1.7
147.11703	7.8
149.13260	36.7
151.14833	3.8
153.12718	2.1
157.10130	4.5
157.12224	1.8
159.02914	13.1
159.07964	1.3
159.11652	7.1
161.09587	4.1
161.13274	7.1
163.11212	2.2
163.14806	13.8
165.09146	1.9
165.12704	2.4
165.16402	1.6
167.14314	4.0
169.10173	1.7
171.11749	2.2
173.09607	1.4
173.13243	4.0
175.14774	4.0
177.05429	2.7
177.09187	1.4
177.12726	1.6
177.16394	23.0
185.13165	1.4
185.15387	1.2
187.06023	1.6
187.11124	1.4
187.14752	2.8
189.03937	1.6
189.16411	1.8
191.10580	2.1
191.17911	2.8
195.06560	1.9
195.17436	20.4
197.13269	1.6
201.16397	1.8
203.17873	2.7
205.19574	1.3
209.13316	2.5
209.18996	2.2
213.03975	3.0
213.16479	2.6
213.18491	25.2
215.14301	2.7
217.19534	4.7
227.14349	1.4
227.20003	3.0
231.04939	6.3
231.17453	5.1
235.20541	4.8
247.16885	8.1
253.21782	3.0
273.18417	5.6
273.25739	5.2
291.19562	5.3
291.26859	23.6
309.20279	1.9
309.27921	25.0
311.09021	3.2
315.26761	1.4
323.05457	4.8
327.29291	2.0
333.27997	1.7
335.09302	1.5
357.91980	1.3
365.15375	1.3
367.15179	2.3
377.10150	3.5
381.27701	1.6
395.11139	5.7
399.28961	2.9
417.29953	2.8
503.29733	2.0
521.31177	1.4
529.03741	1.4
557.16699	7.4
557.29584	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	557.2578
Annotation	Tyr Leu Phe Asp
Peak:m/z	Relative Intensity
53.03958	0.5
55.05506	1.1
57.03437	0.6
57.07070	0.9
58.78220	0.5
62.02625	0.4
66.92817	0.4
67.05508	2.4
69.03421	1.6
69.07055	1.3
70.06617	0.5
71.05019	0.4
71.58525	0.5
79.05507	1.0
81.03407	1.1
81.07063	2.5
83.04988	0.7
83.08615	0.5
85.02908	2.7
85.06059	0.7
85.06551	8.1
86.09735	0.4
87.00822	0.9
91.05466	1.3
93.07044	1.3
95.04946	0.5
95.08607	1.7
97.02887	1.1
97.06533	0.6
99.04453	0.5
99.08099	0.6
104.62597	0.4
105.07044	1.2
107.04976	0.5
107.08617	1.9
109.02868	1.3
109.06553	0.5
109.10158	1.3
110.09717	0.4
111.08085	0.7
111.11691	0.7
117.03359	0.5
119.08581	0.7
121.02874	0.9
121.10189	0.8
125.09680	0.5
127.03934	1.5
129.09120	0.7
133.10179	0.8
135.11696	1.4
137.09616	0.5
145.02855	1.4
145.05006	0.5
145.10106	0.7
157.10143	0.7
159.11649	0.5
163.11147	0.9
173.09647	0.5
177.05516	2.2
185.04260	0.7
195.06567	0.8
204.39342	0.4
221.04817	0.5
227.05173	0.4
273.18600	0.6
285.09482	1.2
287.07278	1.2
291.19455	0.9
309.20547	1.2
321.96637	0.4
323.05588	2.3
324.06287	0.6
329.08380	1.0
335.09290	0.5
337.07059	0.4
347.09387	3.1
351.05948	0.4
377.10294	2.0
395.11023	2.4
395.19696	0.4
413.21332	2.9
455.21426	2.0
477.24655	0.6
495.25735	8.2
497.23502	2.2
513.26819	0.7
539.24524	1.9
557.25616	100.0
558.26099	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	557.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.01839	1.2
55.05468	1.6
56.96531	0.8
57.03372	0.7
57.07044	0.7
58.62967	0.6
61.02902	0.7
67.05460	2.1
68.99765	0.6
69.03426	4.3
69.07071	3.2
71.04964	1.0
71.16365	0.8
71.16724	0.6
73.02893	0.5
79.05461	1.3
81.03368	2.2
81.07062	3.5
81.72850	0.5
82.49821	0.5
83.01313	0.6
83.04955	0.8
83.08591	0.9
85.02911	5.3
85.06524	0.8
87.00780	1.6
91.05421	2.1
93.07010	1.7
95.04939	1.2
95.08595	3.6
97.02879	3.0
97.06528	0.8
98.32456	0.6
99.04388	0.8
99.08042	0.8
105.01800	0.6
105.06984	2.2
107.04913	2.2
107.08593	2.5
109.02829	2.2
109.06501	0.8
109.10142	3.2
111.04413	0.7
111.08047	1.3
119.04871	0.7
119.08527	2.0
121.02827	0.5
121.06448	1.0
121.10088	1.5
123.04446	0.6
123.08038	0.7
123.11681	1.2
127.03924	3.5
129.06912	0.6
131.04918	0.9
131.08496	1.0
133.10092	1.3
135.04340	1.2
135.11612	0.9
137.02333	0.9
137.05891	0.7
145.02762	0.9
145.04918	1.3
145.06421	0.8
145.10175	1.0
147.04425	3.7
147.11694	0.8
148.05197	0.9
149.02367	0.8
149.09517	0.7
149.13243	1.2
151.03889	1.9
151.07550	0.8
153.06938	0.7
154.14694	0.5
155.08575	0.7
159.02954	0.5
159.04366	1.0
159.11659	0.7
159.21329	0.6
161.02325	2.9
161.05928	1.0
161.09567	0.7
161.13156	1.0
162.03094	0.7
163.03851	2.0
163.07547	1.0
163.14775	0.9
165.05434	0.7
165.06905	1.2
167.03357	0.7
167.07007	1.0
169.06453	0.7
173.13173	0.7
175.03915	2.6
175.07472	0.8
175.11191	0.5
176.04640	1.3
177.05460	3.1
178.06219	2.7
179.03381	1.0
181.06374	1.0
183.08003	0.9
185.05891	1.4
189.05511	0.9
189.09193	0.6
191.07045	14.2
193.04880	1.7
195.08060	1.3
196.08783	1.5
197.05917	2.3
198.06694	2.0
199.03871	0.7
199.07512	0.6
201.09041	1.9
203.07056	2.9
203.69841	0.5
205.08627	0.6
209.05930	0.7
209.13123	0.5
211.07547	2.3
212.08281	1.2
213.05551	0.9
213.12938	0.7
214.06184	0.6
217.08609	1.1
219.06430	0.9
221.05891	1.4
221.11771	1.2
223.07571	1.7
224.08299	2.2
225.05397	2.9
226.06216	1.2
227.10683	0.8
229.08611	6.9
236.04655	1.4
237.05464	1.7
239.03348	2.3
239.07069	3.3
240.07829	3.1
241.08551	2.0
242.05692	3.2
249.05518	1.5
250.05960	0.8
251.07037	3.8
252.07788	5.7
253.04893	1.4
254.05750	0.8
255.06465	1.0
255.10170	5.3
257.08127	8.8
263.07062	0.9
264.04178	6.9
265.04874	3.4
267.06546	5.1
268.07269	3.4
269.08124	1.2
273.25714	0.9
278.05655	0.6
279.03491	0.9
279.06537	14.6
280.07309	4.5
281.04355	2.3
281.07513	0.7
283.06448	1.0
283.09641	8.6
291.26743	1.1
293.04523	4.2
293.07761	0.9
294.08743	0.7
295.05997	3.8
295.09631	2.1
296.06775	3.6
297.07559	2.3
299.09085	0.8
305.07764	1.2
307.06027	7.2
307.09421	0.8
308.06799	6.5
309.03809	1.5
309.07510	4.2
309.27844	1.7
311.09140	100.0
312.09564	1.6
320.10382	1.3
324.06311	2.0
325.07132	1.2
335.09790	2.9
335.12793	4.1
337.10797	0.9
339.08630	21.8
349.10712	3.3
363.12228	2.7
364.13004	5.3
365.10077	1.2
365.14078	1.0
367.15427	78.6
368.15808	1.7
380.12488	1.3
395.14941	87.0
396.15341	1.7
513.13605	1.2
539.24194	1.3
557.12512	4.6
557.20135	20.5
557.28821	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	556.9658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98638	0.3
56.96571	4.4
61.69635	0.2
62.68217	0.2
69.65985	1.7
71.95262	1.5
72.90856	0.3
98.97590	74.5
99.97927	0.3
116.98631	32.5
130.93282	0.4
134.99669	8.0
136.00171	0.3
139.43689	0.2
140.00212	0.5
153.00662	0.5
154.93327	0.4
158.01276	0.3
172.94376	3.8
190.95375	2.6
197.00606	0.3
197.95097	0.3
208.96570	0.6
214.95395	3.4
232.96478	7.6
246.91386	0.4
250.97603	2.4
256.96442	21.7
258.99869	0.9
266.29282	0.3
267.00824	0.3
272.94528	0.5
274.97522	100.0
275.97891	1.2
276.98071	0.3
277.00793	1.2
281.00778	0.3
288.99222	0.5
292.98584	45.1
293.98849	0.5
297.99088	1.9
307.00168	0.3
310.99554	0.4
314.95380	0.4
316.00220	0.6
330.93280	0.5
332.96478	0.3
350.90213	0.3
398.92740	0.4
398.97690	3.7
414.95401	29.7
415.95929	0.4
416.98718	6.7
417.98843	0.3
430.93668	0.4
432.96481	29.5
433.96588	0.6
434.99875	0.6
448.94266	0.3
450.97528	3.5
455.97922	1.3
472.94421	0.9
490.96350	0.3
514.95380	0.4
556.96558	9.6
557.96814	0.6
572.94537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05492	0.4
55.36258	0.3
56.96572	0.8
61.02930	0.4
62.72826	0.3
69.03445	0.9
69.94640	1.4
72.08160	0.5
73.02946	0.3
79.05495	0.8
85.02912	1.9
87.04471	0.4
91.05511	1.0
93.07060	1.9
95.04978	0.4
97.02901	1.4
98.97603	2.7
103.05475	7.5
103.06129	0.5
107.04966	1.6
110.97559	0.5
112.99133	0.4
115.03967	0.5
116.98641	0.9
120.08115	100.0
121.06524	0.7
121.08442	0.9
128.61760	0.3
128.98586	0.5
131.04942	2.4
135.32751	0.3
140.07124	0.5
149.05986	2.8
155.04634	0.7
158.99648	0.8
166.08652	53.2
167.07063	3.3
167.09000	0.4
170.99669	0.4
173.01270	0.4
177.00761	0.5
181.08649	1.6
188.05945	0.3
201.00745	0.5
211.09641	3.9
212.06216	0.6
219.01727	0.7
221.31133	0.3
237.02849	1.1
280.83264	0.3
309.08667	0.4
326.10785	0.3
388.83063	0.4
423.11670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01871	0.7
55.05512	0.4
57.03443	1.8
60.51064	0.4
61.02926	2.9
67.05509	0.8
68.99792	0.7
69.03435	5.6
69.07092	0.4
70.06602	0.8
71.01342	0.4
71.05002	0.8
71.58375	0.4
71.58768	0.5
73.02923	1.2
76.20641	0.3
79.05490	2.7
81.03418	2.6
81.07066	2.5
83.04984	0.8
85.02911	28.7
85.06526	0.5
87.04480	0.6
91.03950	1.1
91.05478	4.8
93.07028	0.7
93.34819	0.4
95.04991	0.9
95.08620	1.0
96.08125	0.5
97.02901	6.9
99.04466	1.2
103.05486	1.2
105.07036	66.3
106.07374	0.7
107.04910	0.6
107.08608	0.5
108.08127	0.6
108.87334	0.4
109.02869	2.9
109.06527	2.7
110.09699	1.1
114.85104	0.4
119.04929	0.8
119.08592	0.9
120.08108	0.9
121.06474	0.5
121.10201	0.5
122.06064	0.5
123.04413	2.3
124.07619	0.6
127.03919	7.4
131.04944	0.5
133.06477	0.4
133.10150	0.5
136.07596	0.5
137.05983	35.8
138.06380	0.4
138.09152	1.2
142.08615	1.5
145.04970	14.3
147.04390	0.4
157.98323	0.3
161.06020	1.2
163.06029	4.8
166.08644	3.1
167.07126	0.4
177.05449	0.6
189.03899	0.4
204.06625	0.9
215.10686	100.0
216.11031	1.4
239.10629	2.5
251.10689	1.5
253.12117	0.5
255.10353	0.5
257.11777	2.4
281.11813	3.6
323.12854	1.0
325.11713	0.5
341.13846	1.7
367.12967	0.5
391.14969	0.5
395.11118	0.8
444.83289	0.4
506.19244	1.2
524.21021	0.4
538.22626	0.6
556.24451	7.1
556.31860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01867	1.2
55.05490	0.8
56.05029	1.0
57.03435	0.5
58.06595	3.7
58.34581	0.4
67.05499	1.1
69.03429	1.3
69.07098	1.0
69.42594	2.0
69.43021	1.1
70.06600	1.2
71.04990	1.2
71.07380	0.4
72.08160	5.8
79.03728	0.4
79.05488	0.4
81.03438	2.0
81.07046	2.1
82.06597	1.0
83.04940	0.4
83.08611	0.6
84.08149	2.3
85.02914	2.3
85.06548	1.7
85.08936	0.4
86.06083	3.2
86.09711	1.8
89.03918	1.9
91.05486	1.4
93.07052	1.3
95.04966	4.2
95.08610	0.6
96.08138	1.3
97.02915	0.8
98.06098	0.4
98.09697	13.2
98.10332	0.7
98.20792	0.8
99.04440	0.9
99.10481	1.3
100.07632	1.5
102.09187	7.9
105.06993	0.9
107.08601	0.7
109.02900	0.8
109.06532	1.4
109.10155	0.6
111.08111	1.9
112.07645	0.5
112.11248	0.9
113.06019	1.1
117.03384	8.7
119.05010	0.5
121.10133	0.6
122.09663	0.5
124.07613	0.5
126.09132	0.5
127.03906	0.7
128.07094	2.8
133.10156	1.0
134.03661	0.8
135.04385	0.5
137.06001	1.3
138.09105	0.6
138.12772	0.5
140.10744	2.7
142.08662	1.1
145.02853	29.4
146.08119	2.0
147.04338	0.4
149.05986	2.9
156.13869	1.7
158.11781	7.3
163.03963	0.5
167.07031	0.7
168.10185	1.2
177.05476	44.6
182.11787	3.1
185.44037	0.4
186.11284	1.8
195.06606	0.6
200.12825	7.7
218.13881	14.2
218.15973	0.7
262.05426	0.5
312.14484	0.5
321.09882	0.9
330.15668	0.4
362.18259	0.5
380.19122	1.6
456.70313	0.4
496.21674	4.5
538.30219	0.6
541.21796	0.5
556.23914	100.0
556.30627	5.0
557.24420	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	556.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32829	1.5
50.70353	1.4
56.65058	1.4
66.34589	1.4
67.05502	2.2
69.07056	1.8
70.85946	2.1
70.86285	3.1
72.17126	1.5
79.05499	4.8
80.05012	2.4
81.07050	2.4
82.06575	3.2
84.48170	1.5
91.05466	4.7
93.05781	1.9
93.07047	12.8
94.06579	11.9
95.07360	12.1
95.08616	2.5
96.08141	29.7
97.02903	1.5
97.06533	3.1
103.05462	2.4
106.06544	1.9
108.08121	18.4
109.08873	1.6
109.10111	2.0
110.09685	46.7
116.04958	4.2
120.04380	2.5
120.08121	28.9
122.06050	5.3
124.07604	13.5
127.03883	2.0
136.07590	13.2
138.05530	2.3
138.09145	51.5
144.04445	9.6
146.06015	5.4
147.88510	1.7
147.94481	1.6
148.07608	11.4
150.27650	1.5
152.07066	9.9
160.03972	1.9
162.05412	3.5
166.08650	100.0
172.03944	30.9
190.04977	16.7
197.10800	1.7
198.07593	2.8
199.08583	2.5
204.06561	40.7
204.08450	2.6
211.08719	3.6
223.08722	6.6
225.10190	6.3
227.08205	3.6
235.08655	2.1
237.10255	12.6
238.07214	1.9
239.08029	9.2
239.11807	2.9
241.09706	7.6
251.08197	11.4
253.09720	15.1
255.11307	6.0
265.09760	28.0
266.10376	2.1
267.07709	6.9
267.11328	10.0
277.09634	3.1
279.07660	12.2
279.11002	3.3
280.08417	1.9
281.09222	16.8
283.10797	14.6
287.10220	4.0
293.09207	19.6
295.10754	17.0
297.12360	4.9
299.10394	7.8
299.13361	2.4
309.08472	4.2
311.10275	20.6
313.11716	2.0
315.13428	5.3
321.08676	18.2
325.11826	22.7
327.09711	18.9
327.13446	4.6
331.12943	2.6
339.09805	23.9
341.11404	9.8
341.14920	2.9
343.12912	3.2
344.14014	2.9
353.11411	14.3
357.14584	3.8
359.12375	38.9
367.87314	2.0
371.12527	17.8
388.16165	2.4
418.17596	5.1
446.17307	8.1
448.18500	4.8
464.12103	2.6
464.18225	30.4
474.16379	10.7
478.19672	2.0
480.21231	9.0
489.16724	2.8
492.17682	51.7
493.18057	2.4
506.19287	24.7
524.20337	31.0
538.21619	5.5
556.24384	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	556.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
53.27364	1.6
61.81256	2.0
67.05485	2.8
69.07055	2.2
69.76302	10.9
79.05505	3.9
85.02894	2.6
91.05486	6.2
93.07041	13.1
94.06586	10.8
95.07356	14.1
96.08138	26.5
97.06533	1.8
103.05492	2.4
108.08117	21.3
110.09691	44.5
120.08112	31.4
122.06021	2.7
124.07598	3.5
131.93593	2.3
134.49016	2.0
136.07585	16.0
138.05556	2.3
138.09142	49.3
146.06021	4.0
148.07556	10.7
152.07143	2.7
166.08652	100.0
172.03909	9.1
182.95139	1.7
190.04997	5.8
198.07698	2.2
204.06555	9.4
211.08809	2.3
223.08713	4.0
225.10181	6.9
227.08212	4.3
237.10286	14.3
238.10847	2.7
239.08183	7.3
239.11777	3.7
240.08888	2.3
241.09799	6.2
251.08241	6.4
253.09721	19.4
255.11308	5.8
265.07123	2.9
265.09750	31.3
266.10498	3.4
267.07690	4.0
267.11273	8.0
269.09232	4.4
279.07651	4.2
281.09238	15.9
283.10843	15.8
287.10196	4.1
293.09232	24.2
295.10803	17.1
299.10263	7.6
309.08560	3.9
311.10349	17.2
313.11948	3.3
321.08838	11.0
325.11835	7.9
327.09781	23.5
327.13293	4.0
331.13095	2.5
339.09787	27.7
341.11356	4.8
346.01932	1.8
353.11429	5.5
354.76315	1.9
357.14554	2.8
358.11884	2.2
359.12344	39.2
371.12424	22.8
373.84641	2.2
388.16614	4.3
418.17728	5.0
436.19034	2.3
446.17133	11.3
448.18463	2.3
464.18250	35.9
474.16702	7.3
478.19669	3.5
480.21301	3.4
492.17722	63.3
506.19189	14.2
510.85825	1.9
524.20215	21.0
556.24084	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	555.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11872	3.9
53.03914	4.2
55.01874	4.9
55.05506	19.3
55.78643	4.3
57.03438	11.1
57.07080	10.5
59.04994	8.7
61.02961	4.3
67.05513	28.8
69.03439	11.6
69.07067	51.2
71.15231	10.2
74.54906	4.8
79.05488	18.7
81.03423	9.8
81.07063	71.8
83.04969	18.0
85.02901	17.4
85.06057	7.6
85.06551	100.0
91.05496	22.8
93.07052	64.3
95.04961	52.9
95.08618	51.2
97.02879	7.2
97.06522	9.1
97.10166	7.9
99.04462	9.0
99.08091	18.8
105.07023	34.5
107.08582	31.4
109.06542	5.6
109.10191	28.0
111.11716	11.6
118.23686	4.2
119.08575	23.7
121.10155	57.9
123.11736	10.3
125.09622	13.1
127.03901	8.4
129.07031	5.9
130.69252	5.2
131.08588	10.4
133.10130	25.2
135.08096	5.0
135.11699	16.7
137.09627	7.9
137.13258	5.6
139.11174	36.1
143.08476	6.0
143.10680	5.7
145.02876	10.4
145.10124	15.7
147.11668	18.5
148.50980	4.4
149.09665	5.1
151.11226	7.2
153.12756	6.6
155.10701	5.2
157.10161	9.5
157.12242	56.5
159.11713	12.7
161.13210	7.3
165.12782	4.9
167.10709	10.7
173.13307	6.4
175.14821	6.6
177.05490	12.6
183.13834	6.5
187.10611	4.6
187.14896	7.4
191.08167	11.8
199.14868	6.9
201.16348	7.3
211.14859	7.7
218.13893	7.1
227.17891	4.5
285.22070	16.2
291.23193	10.9
303.23212	26.2
309.24222	11.1
321.24243	26.2
339.25262	38.1
357.26266	14.2
375.27264	7.5
451.80612	4.7
496.22412	5.8
555.17725	5.6
556.23792	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20474	1.1
53.03940	3.5
55.01867	1.7
55.05500	4.1
57.03436	2.1
57.07069	2.2
59.67576	1.1
60.00185	1.2
61.02909	1.4
67.05507	9.1
67.30012	1.0
69.03429	12.0
69.07060	9.3
69.38990	9.5
71.04987	2.3
79.05503	5.4
81.03416	14.1
81.07051	21.8
83.04989	2.3
83.08617	2.3
85.02907	16.1
85.06545	4.5
86.13946	1.2
87.00829	5.4
91.05460	6.2
93.07050	13.9
95.04980	3.8
95.08611	18.8
97.02882	4.7
97.06522	1.4
97.10179	2.3
99.04470	4.4
99.08086	4.0
105.01875	2.7
105.07030	8.2
107.08598	9.9
109.02885	11.7
109.06535	2.0
109.10139	13.8
111.08083	1.5
119.08575	6.3
121.10148	7.2
123.11713	5.7
125.09623	1.4
127.03912	18.1
131.08586	2.6
133.10139	6.1
135.11729	6.5
137.09642	1.4
138.17886	1.1
139.11191	2.2
143.08539	1.2
145.04951	2.0
145.10127	5.1
147.11681	4.3
149.13283	4.9
151.11122	1.3
151.14822	1.2
157.10202	1.8
159.11757	4.0
161.13266	3.4
163.14825	3.5
165.12801	2.1
173.09550	1.3
173.13358	2.0
175.14891	2.8
177.16373	1.5
189.16425	2.6
193.15973	1.9
201.16389	1.6
204.06908	1.3
213.03986	2.3
215.17932	2.2
231.05064	3.9
271.24268	2.8
277.25519	1.6
289.18219	1.1
289.25229	11.5
295.45981	1.1
307.26382	11.1
347.09729	1.8
397.27478	2.5
411.19995	4.8
444.24655	1.4
449.21625	1.9
453.20956	2.6
475.22968	1.3
492.17990	1.4
493.24072	11.2
495.22253	5.7
501.27914	1.5
519.29712	1.5
537.22870	2.3
555.24194	100.0
556.24744	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	555.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23875	2.0
52.26429	2.1
53.03958	10.8
55.01873	9.9
55.05512	24.9
57.03432	8.8
57.07070	7.2
59.05002	4.1
59.48254	1.9
61.02922	5.0
67.05514	23.5
68.99792	3.5
69.03435	41.9
69.07072	100.0
70.06567	2.4
71.04987	8.6
71.58264	2.8
73.02917	6.5
79.05503	22.9
81.03423	43.3
81.07061	71.8
83.04982	7.8
83.08607	9.2
85.02911	66.0
85.06545	18.5
87.00833	23.0
91.03976	2.6
91.05475	17.4
93.07052	44.5
95.04982	10.4
95.08616	62.3
97.02910	20.9
97.06529	8.6
97.10181	3.7
98.97568	2.4
99.04460	13.9
99.08101	7.6
105.01865	13.2
105.07047	26.2
107.05006	2.6
107.08596	43.1
108.08102	3.4
109.02892	34.5
109.06517	4.4
109.10163	36.7
111.04480	3.4
111.08073	5.6
111.11728	27.6
113.09635	2.2
115.03971	4.0
117.01863	3.6
119.08595	32.9
120.08130	5.3
121.02885	6.6
121.06529	3.3
121.10137	26.2
123.08075	3.9
123.11681	17.5
125.09638	6.7
127.03930	53.5
128.95610	2.2
129.01826	4.7
129.06987	2.9
130.07761	2.2
131.08569	10.3
133.10153	17.5
135.08052	2.5
135.11705	57.6
136.07628	3.2
137.09666	3.4
137.13261	8.2
138.09180	2.0
139.11191	22.1
141.07077	2.7
142.07809	3.0
143.08563	5.2
145.05038	12.0
145.06096	1.9
145.10107	15.9
147.02863	2.7
147.11708	19.2
149.13269	9.1
151.11223	2.6
151.14885	2.8
153.12714	5.5
157.10126	5.1
157.12273	5.0
159.02910	8.6
159.11716	27.8
161.13219	11.2
163.11221	4.2
163.14873	5.8
165.12776	3.7
169.10176	2.6
171.11687	4.9
173.13277	7.8
175.14845	6.4
177.16357	11.1
179.18077	2.6
183.11763	4.0
185.09702	2.4
185.13252	4.2
187.14806	6.5
187.47473	2.7
189.09256	2.6
189.16411	4.8
195.17418	5.0
197.13223	2.5
213.03944	3.6
213.18480	7.2
215.18028	4.3
231.05092	6.6
232.81865	2.3
271.24268	7.4
289.25269	25.0
307.19479	2.5
307.26334	36.7
357.02170	2.4
537.30640	3.6
555.14178	3.8
555.27216	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	555.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
57.03435	2.1
57.07077	7.7
57.98494	0.5
67.05505	3.4
69.07071	1.7
71.07372	1.1
71.08326	0.6
71.08636	5.6
73.32526	0.5
79.05501	0.7
81.03410	2.0
81.07067	5.2
83.08639	3.0
85.10193	3.0
91.05466	1.1
93.07012	0.7
95.08626	5.1
97.10157	1.3
98.98475	24.6
98.99120	1.3
100.90341	0.5
109.02877	1.3
109.10152	2.4
116.57088	0.5
116.92036	0.5
123.11741	1.3
137.13231	0.6
155.01053	28.1
159.11746	0.6
164.38989	0.5
177.01596	1.0
199.07314	5.9
217.04819	1.4
239.23749	2.2
243.02705	0.6
251.06874	2.3
265.08459	1.1
267.06091	0.6
267.10544	0.6
267.13675	1.8
269.15152	0.5
293.07718	1.0
307.05771	4.7
309.07339	29.7
313.14120	1.0
313.27380	17.7
317.06464	2.0
334.55151	0.6
336.67975	0.5
350.10153	0.8
353.17288	1.1
376.45911	0.5
379.22510	0.6
393.24091	1.8
401.29245	1.2
419.11176	8.1
419.16797	0.6
427.15283	0.8
436.07623	0.5
455.14520	4.0
537.22113	2.6
555.23553	100.0
556.24036	3.7
580.34302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.7
67.05482	0.4
69.07072	0.7
70.26398	0.8
70.26765	0.7
79.05493	0.6
81.07041	1.2
91.05489	39.2
95.04956	1.2
95.08616	0.5
99.19412	0.4
105.07019	1.5
109.02890	0.8
109.91716	0.3
115.05499	0.4
117.07023	1.0
117.76524	0.3
121.06514	18.8
123.04441	3.0
128.95576	0.4
129.07056	0.8
131.08557	1.3
134.03615	0.8
135.04404	1.0
141.06998	1.0
149.06003	5.8
150.03169	0.4
151.03906	2.1
155.08566	0.5
157.10199	0.6
161.05957	0.8
162.03093	0.9
177.05479	84.2
178.02626	0.4
178.05844	1.0
178.07797	0.5
181.10011	0.3
185.09686	0.4
185.61023	0.4
193.04979	35.1
193.10010	0.8
194.05281	0.7
205.04976	100.0
206.05722	1.9
211.11104	0.7
221.09499	0.4
225.09116	0.5
227.10683	26.8
237.09143	0.6
239.10692	9.0
239.13057	0.7
309.07440	1.2
351.23203	1.6
413.13815	0.9
431.14938	66.3
432.15213	1.2
555.24207	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	555.1656
Annotation	Bedaquiline
Peak:m/z	Relative Intensity
50.84863	0.5
51.74620	0.5
53.03941	1.1
69.03420	0.7
69.07077	0.6
69.63874	2.0
69.64275	1.1
79.05490	1.9
81.07059	0.8
91.05491	2.1
93.07048	0.7
95.01369	0.7
95.04967	1.2
95.08627	0.7
98.21472	1.1
103.05492	2.1
105.07045	1.4
107.04965	8.7
107.05684	0.7
117.03384	2.9
120.05707	1.0
121.06536	1.1
123.00779	1.5
123.04470	1.5
125.05971	0.7
127.03990	0.7
129.07047	0.7
131.04930	12.5
133.06482	1.2
134.03664	2.0
135.04485	0.9
135.05490	0.9
137.05984	11.0
143.40416	0.6
145.02867	1.8
145.06499	0.8
147.04335	0.6
149.06026	1.5
152.01028	4.9
153.01883	2.3
155.04926	5.3
157.06493	1.1
161.05989	4.4
167.04910	0.8
167.08542	0.7
170.02109	1.2
171.04549	0.8
171.08026	0.6
172.05257	0.6
183.04420	4.6
185.05983	1.2
187.07614	1.7
194.07367	0.6
195.08084	0.8
197.06024	1.6
200.04779	1.8
202.06348	0.7
203.07135	1.0
211.03929	3.3
212.04776	1.0
212.08311	0.7
213.05571	1.4
223.07573	0.7
224.08330	2.0
225.05476	1.4
227.07109	0.8
227.10765	1.5
228.04166	1.1
229.04968	1.5
230.05779	1.1
239.03391	4.4
239.07066	0.8
240.04219	0.7
240.07919	1.3
241.04979	4.7
242.05721	0.7
243.06493	0.6
245.08057	0.9
255.06581	2.0
255.10214	2.8
256.03702	8.4
267.02847	0.7
268.03613	0.8
269.04419	3.5
271.06024	69.3
272.06470	0.7
283.06116	1.0
285.04031	1.2
285.07544	0.7
286.04703	9.4
286.07639	0.9
299.05518	37.5
300.06204	2.1
301.07077	32.2
315.08621	0.8
320.48642	0.5
364.55939	0.6
419.11295	12.4
449.12704	1.2
537.15784	0.7
555.16534	100.0
556.16846	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	554.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26029	1.6
65.18345	1.4
67.05517	1.9
69.07078	1.7
69.22176	1.4
71.58138	2.4
72.08144	1.4
74.29445	1.4
79.05498	2.1
80.45515	1.3
81.07066	1.8
89.03933	1.9
93.03431	1.5
93.05803	1.8
93.07020	1.6
94.06586	2.0
105.07030	1.8
107.07347	9.2
108.08122	58.4
108.08870	2.9
110.13594	1.3
116.05006	9.1
120.04498	1.7
120.08125	4.2
122.06024	1.6
122.09666	12.9
135.06847	2.1
136.07578	8.2
136.11287	1.7
139.09563	1.5
144.04459	16.2
146.06018	2.8
148.07610	2.7
150.07948	3.4
150.09148	61.8
152.07106	3.0
162.05515	6.1
172.03940	52.6
174.05525	2.0
190.04977	25.3
190.06522	2.4
198.07590	3.2
204.06561	64.6
214.10791	8.3
223.08649	2.8
225.10205	1.7
236.09494	5.2
237.10258	6.4
239.08142	1.8
247.08638	2.8
249.10326	1.8
249.31607	1.5
250.07506	2.6
251.08238	10.0
253.09796	4.4
253.13438	1.7
255.11369	2.1
264.08948	6.6
265.06863	2.6
265.09671	17.0
266.10452	3.7
267.11255	4.4
269.09180	1.9
277.09799	1.8
279.07706	19.8
279.10986	2.9
280.08423	4.8
281.09293	5.8
281.12869	9.5
282.09985	3.7
283.10818	1.8
291.07611	1.6
292.08426	7.5
293.09204	18.0
294.09869	8.0
295.10645	2.8
297.12338	7.9
299.09460	2.7
307.10812	5.5
309.12350	50.4
311.10092	4.1
313.11737	3.6
320.07993	4.7
325.11838	8.8
327.13348	6.7
335.10315	7.6
338.08945	14.0
341.11328	18.0
341.15079	5.4
344.08499	1.7
353.11334	64.0
368.05936	1.8
372.13739	1.7
373.14069	8.6
385.13940	21.4
434.21286	1.8
462.20163	7.5
490.19739	54.1
504.21579	2.7
522.22388	100.0
523.22528	3.1
554.30988	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	553.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26715	2.2
55.05485	2.9
55.45718	2.3
57.99450	2.3
67.05512	2.9
69.07057	3.3
71.56234	3.7
71.64935	2.2
72.04213	3.1
80.06222	2.5
81.07066	3.9
85.07671	100.0
89.06046	3.7
91.05502	4.4
100.96318	2.4
105.07029	5.7
118.59806	2.6
119.08595	7.4
126.43834	2.6
145.09807	9.2
177.05467	5.3
205.05003	11.1
207.06537	10.0
409.23785	4.0
496.42502	2.7
553.19720	13.1
553.26996	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58055	0.2
57.00073	0.2
60.63089	0.3
67.05484	0.3
69.07052	0.3
69.78922	1.6
81.03424	0.3
81.07037	0.3
91.05492	0.5
93.07018	0.3
93.89984	0.3
95.08585	0.3
100.08657	0.3
105.03396	0.8
105.07052	0.3
107.05000	0.4
121.02893	1.3
121.03690	0.3
121.06573	0.3
131.04848	0.3
133.03497	0.7
136.44640	0.2
137.02374	0.6
137.06021	0.3
145.09981	0.3
161.06068	0.4
183.37711	0.3
185.09769	0.3
211.07523	0.3
255.06544	3.3
257.08041	0.4
269.08099	0.6
271.05981	0.3
271.09671	0.6
277.07666	0.3
281.15823	0.3
283.06067	1.5
283.09201	0.5
284.06668	0.4
285.07434	0.3
299.09180	0.7
299.18671	0.5
309.07526	0.3
317.19620	3.0
318.20432	0.3
335.20630	0.8
391.24628	0.7
417.13333	2.7
418.03067	0.3
433.12848	1.0
465.25110	0.3
469.61533	0.4
533.75562	0.3
553.15161	5.8
553.29871	100.0
554.30103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08997	0.4
56.96571	0.7
67.05499	0.8
71.58176	0.6
77.00916	0.5
79.05461	0.5
81.03426	0.9
81.07082	0.7
85.02911	0.5
91.05486	2.0
93.07059	1.1
95.04969	0.5
98.97587	1.6
105.07028	0.8
116.98650	0.9
120.08100	0.7
143.08560	0.4
151.03886	0.9
157.04587	0.6
161.06000	0.6
185.04198	3.0
201.03763	0.9
203.07111	0.9
255.06438	2.5
267.10062	0.9
270.09161	0.5
271.06128	1.6
275.07394	0.9
281.73700	0.5
283.05933	0.6
285.07675	1.5
297.07651	0.7
311.09344	0.7
312.09857	1.0
317.19641	1.5
331.09949	3.4
345.11481	0.6
373.15094	0.8
396.15289	0.6
401.18085	0.5
413.12842	0.5
415.19479	0.9
483.22070	1.5
490.00064	0.6
511.12619	0.8
512.13202	1.3
553.29883	100.0
554.30145	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.299
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
58.60561	0.2
69.33991	1.3
69.34422	0.9
81.07046	0.5
93.62817	0.3
97.89581	0.2
98.20776	0.5
130.85448	0.3
179.07066	0.7
203.05270	0.7
255.06570	1.1
259.07904	0.7
281.15433	0.3
283.06055	0.9
286.07880	0.5
299.09113	0.5
300.09589	0.5
301.09732	0.7
313.07101	0.5
314.07452	0.5
315.07535	0.6
317.19897	0.5
335.20438	0.3
391.24701	1.0
433.12656	0.9
530.10345	0.3
553.29883	100.0
554.30341	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	553.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52789	0.3
53.03925	0.4
55.05483	0.7
56.05000	1.2
57.03430	0.5
57.05820	0.4
60.05623	1.2
69.03403	0.6
70.06566	0.8
73.06551	0.5
79.05483	0.5
81.03390	1.4
83.06066	1.0
85.02873	1.3
89.53133	0.3
91.05443	0.5
95.04950	0.4
95.06084	0.7
97.02891	0.7
99.04438	0.4
104.05003	0.5
105.03397	1.7
105.05759	0.6
106.06515	0.7
109.02859	0.7
111.05579	5.0
113.07117	1.4
120.04479	10.2
121.10116	0.4
123.05552	0.8
126.06651	6.9
127.07459	0.4
132.04466	15.4
134.05122	0.5
134.06035	6.5
137.04631	1.1
137.05898	0.4
140.08156	1.1
146.02286	0.8
150.05504	0.8
151.06151	4.8
158.06006	0.5
162.06636	0.5
168.08781	1.6
173.07100	0.4
185.07137	0.6
187.08763	0.7
188.20828	0.3
193.07005	0.4
195.04617	0.4
202.09769	10.7
203.08133	0.6
214.09624	0.4
215.08223	0.3
216.11307	2.4
219.05162	0.4
230.09248	7.7
231.07695	2.9
231.09729	0.5
231.12497	1.1
232.10858	3.2
233.14079	0.7
242.09254	2.6
257.10352	3.5
259.11923	63.0
260.10065	0.5
260.12418	0.7
277.12973	9.9
284.11438	5.4
301.14014	1.4
302.12497	27.0
303.12796	0.5
319.14163	0.6
327.63290	0.3
349.15036	0.6
367.35623	0.3
379.16278	0.7
379.44788	0.4
391.19501	1.4
403.16226	1.4
421.17273	7.3
428.15918	0.5
445.17975	0.5
446.17090	0.7
463.19339	6.4
511.24054	6.3
553.26184	100.0
554.26398	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	553.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26158	0.5
56.37584	0.5
67.05480	1.1
69.07050	1.6
69.41441	1.1
69.41847	2.9
77.59572	0.6
78.04701	0.6
79.05503	0.5
81.03369	0.5
81.07042	1.9
83.01321	1.3
91.05487	4.2
93.07032	1.0
95.04929	1.0
95.08575	0.9
98.20782	1.2
103.05456	1.5
105.03361	0.7
109.02872	1.0
109.06487	0.7
115.05458	1.2
117.06966	0.6
119.08556	0.7
121.06506	24.1
129.06979	0.9
131.04941	2.4
134.03654	0.6
135.04372	0.8
135.11693	0.5
141.07002	2.5
149.05986	6.2
151.03911	4.7
153.07002	0.9
154.07797	0.6
159.04405	2.2
162.03079	0.9
165.06979	2.5
166.07790	4.7
167.08545	1.5
177.05475	89.8
178.02600	1.7
178.07767	1.9
179.08553	5.1
181.06491	0.8
181.10078	3.0
182.07317	0.9
190.07785	1.0
191.08542	3.1
193.04967	71.1
194.07265	3.1
195.08093	3.1
203.07083	1.5
204.07449	1.2
205.04968	100.0
206.05537	0.7
209.09636	4.7
219.07985	1.1
225.09102	38.4
226.09509	0.9
235.07542	1.3
237.09113	42.0
244.10445	0.6
259.77887	0.6
265.08450	0.7
331.10605	1.0
340.16278	0.6
349.21536	1.8
411.12115	2.0
419.11011	1.6
429.13361	76.1
430.13651	1.5
553.26624	12.8
554.25531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
56.05022	1.1
57.03438	0.5
57.06870	0.3
57.07082	3.6
58.06600	0.9
60.08170	15.8
67.05521	0.9
68.05835	0.4
69.07088	1.8
71.05038	0.4
71.07384	6.3
71.08624	1.6
71.58733	0.7
76.16226	0.4
79.05473	0.5
81.07066	2.8
83.08617	1.1
85.10204	0.8
86.09715	46.5
91.05506	0.7
93.07027	0.5
95.08615	1.7
97.10165	0.7
98.98493	3.2
104.10753	100.0
105.11063	0.4
107.08597	0.9
109.10159	0.8
119.08581	0.5
121.06518	0.5
125.00018	28.6
130.71103	0.4
135.11763	0.5
143.01060	0.4
145.10184	0.4
151.03918	0.9
159.96754	0.3
161.06114	0.4
163.01570	0.9
175.07585	0.4
177.05447	0.6
184.07358	93.8
185.07632	0.6
203.06995	2.5
204.07449	1.4
205.05013	1.5
258.11111	1.6
307.09677	0.4
323.09097	0.4
369.33646	1.7
380.32239	0.4
417.09216	0.5
534.39178	6.3
552.40332	33.0
553.19965	0.8
553.27972	0.9
553.40741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63933	2.1
55.05521	5.5
57.07089	2.2
59.05011	2.6
65.98938	2.2
67.05502	6.3
69.03431	10.0
69.07064	2.7
69.45496	18.2
71.04984	5.3
79.05497	4.4
81.03440	11.8
81.07063	7.4
81.78963	2.2
83.04977	3.6
83.08605	2.8
83.99944	2.1
85.02914	37.8
85.06550	4.9
91.05477	2.9
93.07029	12.3
95.04986	11.0
95.08614	17.4
97.02915	13.8
99.04461	23.9
99.08102	70.8
103.03944	37.3
105.07060	4.0
107.08598	8.4
109.02874	8.9
109.10170	21.7
117.07023	2.0
118.29822	2.2
119.08581	5.4
121.10144	8.3
123.11723	6.1
123.54823	2.1
125.09627	2.6
127.03930	56.6
133.10120	17.5
135.04440	6.7
135.11729	15.3
137.09645	11.4
139.64668	2.0
145.04970	29.4
155.10654	11.7
163.06058	21.1
173.13182	2.1
175.14821	5.7
179.96089	2.3
193.15900	55.8
211.16956	100.0
269.08051	4.7
271.08221	8.1
279.11313	2.3
285.07697	4.0
289.09293	8.0
301.17889	3.0
307.10284	10.6
339.13434	6.4
367.12741	3.7
382.79449	2.6
405.74533	2.4
463.23148	2.9
514.45715	2.5
517.26404	31.6
520.20752	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	552.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.9
56.96559	1.6
59.04999	2.7
65.42564	1.4
66.19490	1.6
67.05510	1.9
69.03427	2.0
69.07027	1.8
71.11689	3.1
79.05482	5.5
81.07043	4.7
85.02889	4.2
91.05484	9.3
92.05785	1.6
94.96941	1.7
95.08612	2.6
97.02885	3.1
103.05486	3.5
105.06384	2.8
105.07042	44.0
107.08595	2.5
109.06495	2.0
109.10182	1.9
115.03944	2.0
117.06968	2.3
123.11726	4.6
127.03880	2.1
131.04941	2.2
133.10146	2.4
137.05989	48.1
139.03903	8.7
149.13216	3.1
161.05974	9.6
173.06013	7.7
175.07541	4.6
177.05489	7.7
181.10063	3.3
186.19537	1.7
189.05466	4.2
191.08635	2.5
201.05470	20.1
205.04948	16.5
205.19525	3.6
217.04926	2.3
219.06512	4.5
223.86548	2.0
231.10202	5.3
237.09169	3.5
249.08984	1.6
251.10455	2.3
253.11998	1.8
263.07193	1.6
267.10117	17.9
269.21088	3.4
279.10199	28.4
281.08047	4.1
281.11899	1.7
283.09686	15.1
287.09198	20.2
287.21964	2.1
295.09915	2.3
297.11227	30.4
309.14865	22.6
337.14471	14.7
355.15433	100.0
373.16370	2.5
381.26288	2.0
472.27673	1.7
490.27859	3.7
491.92209	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	552.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51389	0.2
54.38391	0.2
61.65211	0.2
69.31522	1.8
79.05449	0.8
80.04984	0.3
81.03413	0.2
81.07016	0.2
82.06558	0.4
91.05439	0.7
93.05753	0.3
93.07062	1.3
94.06111	0.2
94.06563	1.9
95.07349	1.6
96.07555	0.3
96.08124	3.6
97.06484	0.3
98.21458	0.3
103.05409	0.4
106.06525	0.2
107.07307	0.2
108.04438	0.3
108.07435	0.2
108.08121	3.6
109.08916	0.3
110.09687	5.8
118.06482	0.4
120.04473	3.5
120.08107	4.4
121.06531	0.3
122.06035	1.4
122.09624	0.6
123.06798	0.5
124.07611	1.0
132.08032	0.4
136.07588	3.2
136.58794	0.2
138.09135	8.1
146.05980	0.7
148.07549	1.5
150.05484	0.4
150.09123	1.1
151.06268	0.3
152.07059	1.3
152.10652	0.6
160.07570	0.3
162.09081	0.3
164.07034	0.7
166.08643	8.1
172.03888	0.2
172.07646	0.2
176.10631	0.5
180.10175	0.4
182.11761	0.5
183.06583	0.2
183.09209	0.3
184.10045	0.3
185.10715	0.2
188.07043	0.3
190.04991	0.3
190.25641	0.2
194.08073	1.2
196.09805	0.5
197.10754	1.1
198.11523	0.3
199.12289	0.3
202.08549	0.2
204.06503	0.3
206.08145	0.2
208.10037	0.2
209.10744	0.8
210.07736	0.2
210.11435	0.3
211.08717	0.5
211.12253	0.7
212.09457	0.6
213.10190	0.5
215.11929	0.2
220.09978	0.4
221.10730	0.5
222.07809	0.4
223.08665	1.5
223.12184	1.2
224.09457	1.2
224.13046	0.4
225.10248	2.8
226.10999	0.5
227.11736	1.2
233.10716	0.8
235.08627	1.6
235.12289	0.3
236.09465	0.9
237.10233	7.5
237.13879	0.3
238.10922	1.8
239.08145	1.6
239.11777	3.7
240.12427	0.4
241.09802	0.9
244.27364	0.2
245.12932	0.6
247.08554	0.2
248.09390	1.2
249.10233	6.0
250.10999	2.4
251.08170	3.7
251.11792	6.7
252.08957	0.9
252.12508	1.2
253.09718	5.6
253.13300	0.5
254.10461	0.6
255.11205	0.8
261.10269	3.0
262.10995	1.0
263.08167	0.9
263.11774	3.7
264.08923	0.5
265.09711	9.0
265.12836	0.4
266.10471	1.5
267.11304	5.2
267.14246	0.2
268.12103	0.4
269.09158	0.7
269.12799	0.6
271.10794	2.2
273.12354	0.5
274.07050	0.2
275.08136	0.2
276.08939	0.3
277.09686	2.5
278.06873	0.5
278.10474	3.4
279.07693	4.1
279.11279	9.8
280.11917	1.8
281.09207	2.8
281.12836	1.7
282.09961	1.0
283.07831	0.4
283.10818	6.1
283.13989	0.4
285.12369	0.8
287.13916	1.7
289.09732	5.5
290.10452	0.4
291.08041	0.4
291.11264	2.1
292.08215	0.3
293.09225	1.9
293.12823	3.4
294.10013	5.5
294.13422	0.5
295.10803	4.0
295.14133	0.4
296.11523	2.3
297.08716	0.6
297.12311	1.5
298.09491	0.9
299.10251	2.0
299.13522	0.3
300.11014	0.3
304.08478	0.3
305.09308	0.4
306.09933	1.4
307.10727	2.1
308.11545	1.2
309.09021	0.3
309.12271	2.7
310.13019	0.8
311.10254	6.1
311.13910	2.1
312.11023	3.0
313.11786	1.8
314.12759	1.3
315.13434	0.4
317.09238	0.9
321.08713	0.5
321.12408	0.9
323.10208	1.2
323.13403	1.3
324.11066	2.5
325.11777	1.4
326.12677	5.1
327.09479	0.4
327.13364	7.6
328.14117	0.3
334.98059	0.2
335.10278	7.7
336.11014	0.4
337.11755	1.0
339.13400	52.5
340.10510	2.8
340.13889	0.8
342.15915	0.3
346.15570	0.3
349.11725	0.4
352.10724	1.1
353.11304	0.8
354.12079	4.6
355.12891	14.8
356.13583	0.4
367.12900	32.9
368.13370	0.6
370.15637	0.3
371.12164	0.4
374.14700	0.4
386.14664	1.0
387.15530	0.8
388.16446	0.4
399.15506	0.6
400.16605	0.5
402.18945	0.3
404.15921	0.3
418.17828	0.5
420.19427	0.3
436.18793	0.3
444.18872	0.3
447.17783	0.5
450.20181	0.2
451.20865	1.0
459.18100	0.2
460.18774	1.4
461.19699	0.3
464.17950	0.4
464.65060	0.2
470.17078	0.4
474.20459	0.3
479.20633	1.9
488.18210	12.7
492.21347	6.3
493.21652	0.3
502.19717	0.9
520.20813	100.0
521.21021	1.7
538.21765	0.5
552.23395	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	552.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73454	0.2
67.80640	0.2
69.06979	0.2
69.41882	1.8
69.42291	0.4
79.05475	0.4
81.05750	0.6
82.06511	0.4
86.09742	0.2
90.91537	0.2
91.05449	0.6
93.05787	0.3
93.07033	1.5
94.06580	1.7
95.04908	0.3
95.07340	1.4
96.08131	3.7
98.20683	0.5
103.05425	0.3
106.06514	0.4
107.07282	0.5
108.08112	3.0
109.08839	0.4
109.14425	0.2
110.09674	5.9
118.06473	0.3
119.39362	0.2
120.03739	0.3
120.04474	2.6
120.08105	4.9
121.06483	0.3
122.05960	1.0
122.09603	0.8
123.02359	0.2
123.06725	0.4
123.48023	0.3
124.07611	1.9
132.08025	0.4
134.05937	0.5
134.09634	0.3
136.07576	5.0
137.05968	0.3
137.08398	0.4
138.08154	0.5
138.09135	7.5
146.05966	0.5
148.07576	1.5
150.05565	0.3
150.09122	0.8
151.06233	0.6
152.07068	1.7
152.10683	0.7
160.07564	0.3
162.09073	0.5
164.07082	1.3
165.37532	0.2
166.08635	8.7
168.10234	0.3
172.03902	0.8
176.10681	0.4
177.07744	0.6
180.06566	0.5
180.10120	0.8
182.11717	0.8
183.09172	0.3
184.09877	0.5
185.06946	0.3
190.05034	0.3
192.10167	0.5
194.08179	1.4
194.09595	0.3
195.09166	0.3
196.09766	0.8
197.10699	1.4
198.11523	0.3
204.06488	1.0
207.32713	0.3
208.09805	0.3
209.10693	1.0
210.11400	0.3
211.08635	0.5
211.12268	0.7
212.09384	1.1
213.10120	0.9
215.11841	0.3
218.08023	0.3
221.10710	0.5
222.07777	0.4
222.11409	0.3
223.08676	1.6
223.12234	1.2
224.09358	1.3
225.10236	3.4
226.10931	0.7
227.11772	1.0
230.08000	0.3
233.10596	0.4
235.08658	1.3
235.12288	0.5
236.09410	1.7
237.10225	7.2
238.10954	1.8
239.08141	1.6
239.11794	3.6
240.12517	0.4
241.09778	1.3
241.13417	0.4
242.10802	0.2
245.12816	0.4
247.08595	0.3
248.09280	1.2
249.10201	5.3
250.10985	1.9
251.08139	3.1
251.11769	5.5
252.08896	0.7
252.12561	1.3
253.09749	4.6
253.13303	0.6
254.10349	0.6
255.11308	0.8
256.30402	0.3
257.12756	0.3
259.14417	0.3
261.10226	1.9
262.10959	0.8
263.08185	0.7
263.11765	2.5
264.08920	0.8
264.12418	0.3
265.09717	8.8
265.12799	0.5
266.10538	1.8
266.13126	0.3
267.07736	0.5
267.11301	4.5
268.11993	0.9
269.09216	0.7
269.12769	0.6
271.10754	2.6
273.12381	0.3
276.08847	0.4
277.09714	2.4
278.06183	0.4
278.10471	3.1
279.07663	3.4
279.11258	8.2
279.14355	0.5
280.12128	1.9
281.09192	2.0
281.12784	1.6
282.09961	0.9
282.13385	0.4
283.10788	6.0
283.13956	0.5
284.11526	0.6
285.12299	1.0
287.13919	2.9
289.09689	3.5
290.10373	0.4
291.11243	1.3
293.09143	1.8
293.12781	3.4
294.10019	4.2
294.13312	0.3
295.10797	2.8
295.14136	0.5
296.11426	1.3
297.08719	0.7
297.12320	2.2
298.09521	0.5
299.10318	2.0
299.13467	0.5
302.12781	0.4
306.09827	0.7
307.10822	1.6
308.11676	1.2
309.09052	0.3
309.12292	1.8
310.13162	0.3
311.10199	5.9
311.13834	1.8
312.11060	2.3
313.11810	2.0
313.15121	0.4
314.12601	1.9
315.13489	0.5
317.09085	0.5
321.12311	0.6
323.10172	1.0
323.14026	0.8
324.11075	1.8
325.11853	2.5
326.12601	4.5
327.09540	0.4
327.13388	8.3
328.14322	0.4
335.10254	4.6
336.10797	0.4
337.11923	1.2
339.13382	40.0
340.10571	1.5
340.14090	0.7
341.15161	0.6
344.13690	0.4
346.15372	0.5
349.11548	0.3
352.10489	1.0
353.11325	0.8
354.12091	2.6
355.12881	7.7
356.13754	0.4
357.14487	0.7
358.15555	0.5
367.12894	13.7
368.13385	0.5
369.14630	0.6
371.12228	1.8
371.16183	1.2
372.13028	0.3
374.14731	0.4
383.12137	0.3
385.13797	0.9
386.14706	2.5
387.15506	3.6
390.18140	0.3
399.15512	6.0
400.16159	0.4
402.18027	0.3
418.17603	0.4
424.22260	0.4
432.19321	0.4
436.18591	0.4
446.16983	0.4
447.17972	0.4
451.21030	0.9
452.22067	0.4
460.18774	1.0
464.21970	0.4
470.17047	0.4
479.20380	1.9
488.18161	3.4
492.21271	3.3
502.19724	0.8
520.20807	33.0
521.20984	0.6
524.23773	0.9
534.22327	0.8
552.23395	100.0
553.23676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41969	0.3
79.05457	0.7
81.05754	0.4
81.07033	0.3
82.06548	0.3
91.05431	0.9
93.05750	0.4
93.07035	1.8
94.06563	1.8
95.07363	1.8
96.08133	3.5
97.06487	0.5
98.21529	0.5
107.56207	0.3
108.07437	0.3
108.08116	4.1
110.09685	6.6
114.49416	0.3
117.05730	0.3
118.80921	0.3
120.04468	3.6
120.07354	0.4
120.08112	4.5
122.05954	1.2
122.09639	0.5
123.06760	0.5
124.07555	1.2
132.07999	0.4
134.05956	0.5
136.07573	3.4
138.09138	9.4
146.05984	0.7
148.07521	1.1
150.05528	0.5
150.09103	0.8
152.07024	1.2
152.10657	0.7
153.01738	0.3
154.63670	0.3
160.07520	0.3
164.07021	1.0
166.08633	7.9
174.05405	0.4
174.07489	0.3
174.09013	0.3
176.10732	0.3
180.10130	0.5
182.09662	0.3
182.11658	0.5
190.04947	0.6
194.08121	1.0
195.09055	0.3
196.09863	0.5
197.10709	0.9
206.38623	0.3
209.10681	1.2
211.08600	0.4
211.12244	0.7
212.09383	0.9
213.10283	0.6
219.09157	0.3
221.10707	0.7
222.11462	0.5
223.08621	1.1
223.12289	1.4
224.07227	0.3
224.09352	1.5
224.12891	0.5
225.10217	2.9
226.10988	0.4
227.11746	0.8
233.10657	0.8
235.08722	1.9
235.12311	0.5
236.09370	1.0
237.10228	8.4
238.11005	1.6
239.08125	1.6
239.11748	3.9
240.12564	0.4
241.09694	1.0
245.12816	0.4
247.08755	0.3
248.09280	1.5
249.07874	0.5
249.10242	6.4
250.10999	2.1
251.08134	3.9
251.11766	5.6
252.08928	0.6
252.12604	1.3
253.09721	5.6
253.12810	0.3
253.13324	0.3
254.10406	0.6
255.11229	1.1
261.10181	3.1
262.11050	1.2
263.08252	0.8
263.11752	3.5
264.09094	0.5
264.12457	0.4
265.09732	8.8
265.12656	0.6
266.10471	1.4
267.08179	0.4
267.11295	5.5
268.11929	0.8
269.09189	0.5
269.12820	0.7
271.10803	2.8
273.12415	0.6
275.08051	0.3
276.09055	0.3
277.09738	2.6
278.07294	0.4
278.10446	3.5
279.07654	3.7
279.11261	9.1
280.08691	0.5
280.11984	1.6
281.09180	2.6
281.12756	1.5
282.09921	0.7
283.10785	7.0
284.11328	0.6
285.12436	0.8
287.04907	0.3
287.13904	1.6
289.09698	4.5
290.10516	0.6
291.11215	2.6
292.11908	0.5
293.09195	1.6
293.12805	3.9
294.10022	5.7
294.13358	0.7
295.10785	3.5
295.14035	0.3
296.11575	2.0
297.08939	0.6
297.12323	1.3
298.09470	0.5
299.10260	2.1
299.13715	0.6
301.07037	0.4
302.07172	0.5
303.07758	0.6
304.08246	0.4
306.09909	1.4
307.10699	1.9
308.11508	1.6
309.08994	0.6
309.12286	2.5
310.13083	0.5
311.10239	6.2
311.13882	2.1
312.10953	2.4
313.11780	2.0
314.12622	1.8
315.13678	0.3
317.09302	1.3
321.08694	0.7
321.12451	0.8
323.10190	0.9
323.13959	1.3
324.11111	2.3
325.11807	1.2
326.12619	4.1
327.13370	8.1
335.10229	8.0
336.10794	0.5
337.11935	0.9
339.13394	51.0
340.10510	2.7
340.13977	0.9
342.16153	0.6
352.10553	1.1
353.11285	0.7
354.12106	4.1
355.12888	14.4
356.13580	0.5
356.17603	0.4
360.16827	0.4
367.12900	34.5
368.13266	0.4
371.16180	0.4
374.14990	0.4
376.16818	0.3
386.14706	1.1
387.15573	0.9
390.18021	0.4
399.15561	0.7
432.19583	0.5
451.21103	0.8
460.18814	1.9
461.19662	0.4
464.19025	0.3
470.16833	0.4
474.20331	0.6
479.20557	1.6
488.18182	13.2
492.21313	5.8
502.19696	0.4
520.20819	100.0
521.21063	2.0
552.23322	6.0
552.31824	0.3
553.23022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.05513	18.4
57.03444	8.4
57.07078	38.3
58.17163	1.5
65.03933	1.6
67.05511	33.6
69.03436	2.1
69.07066	15.0
70.90010	1.7
71.04981	5.2
71.08636	32.6
71.20715	1.7
75.41132	1.5
77.34170	1.6
79.05500	15.9
81.03418	40.2
81.06581	2.0
81.07059	33.3
83.04982	7.1
83.08624	26.4
85.02911	21.9
85.10184	16.4
91.05490	22.1
93.07046	11.6
94.72602	1.5
95.04979	15.7
95.08614	29.3
97.02899	1.8
97.06496	2.3
97.10182	10.1
105.07029	16.9
107.04942	2.5
107.08610	7.0
109.06545	2.4
109.10169	12.4
111.08086	6.7
111.11734	3.5
117.07011	2.3
119.08591	15.9
121.06493	1.6
121.10172	8.8
123.08117	2.3
123.11699	5.0
123.90331	1.6
129.07030	6.8
131.08588	8.5
133.06517	1.8
133.10155	6.5
137.13280	3.1
145.10139	2.0
147.08148	1.9
147.11693	11.3
149.09666	4.5
157.10106	8.4
165.12741	1.6
165.16396	1.6
175.11194	11.9
177.44739	1.5
193.12244	43.8
203.07045	9.1
211.13289	44.6
211.15207	2.8
243.10112	4.2
267.16064	5.4
267.26895	2.7
279.50732	1.5
341.30505	5.8
346.02570	1.7
501.42188	1.7
533.42084	1.8
551.43091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
51.58681	1.6
53.03944	6.4
55.05504	14.0
57.02158	1.8
57.07076	10.8
62.51456	1.6
65.03940	3.1
67.05511	31.4
69.07069	21.7
71.08633	2.6
71.58798	2.0
79.05502	22.9
80.05810	2.0
81.03419	3.6
81.07065	42.8
83.04967	2.6
83.08636	11.0
85.06538	4.2
91.05487	47.0
93.07052	47.9
95.04966	6.0
95.08614	45.0
98.20989	2.0
103.05484	4.6
105.04523	2.0
105.07034	71.6
106.07355	2.8
107.08595	59.4
109.06555	4.1
109.10168	41.4
111.08128	1.8
115.05450	3.6
116.06221	3.9
117.07016	15.2
119.08591	100.0
121.10149	39.4
123.08067	2.4
123.11687	11.8
124.55196	1.7
125.09615	2.1
128.06207	8.9
129.07019	13.9
130.07799	7.1
131.08574	36.5
133.10136	54.0
135.08075	1.8
135.11694	32.2
135.12700	2.7
137.09642	4.9
141.06966	8.2
142.07788	13.7
143.08572	29.6
144.09354	7.9
144.16127	1.6
145.06496	2.3
145.10127	66.8
146.10512	3.3
147.08116	1.9
147.11708	22.5
149.09599	2.5
149.13283	5.4
153.07007	3.2
154.07845	3.0
155.08566	11.6
156.09354	8.9
157.10127	37.9
158.10835	5.0
159.11691	38.5
161.02292	3.6
161.06006	2.9
161.13229	10.4
161.92317	1.6
163.11224	2.0
163.14822	2.7
165.06943	2.0
166.07787	2.2
167.08592	7.3
168.09325	5.6
169.10139	18.1
170.10851	7.0
171.11719	19.3
172.12451	3.2
173.13286	24.7
175.14828	31.4
178.07845	1.9
179.08603	6.1
180.09419	4.2
181.10132	9.6
182.10902	5.8
183.08058	2.7
183.11720	17.8
184.12390	2.3
185.13268	14.6
187.14848	12.6
189.16403	3.9
192.09505	2.3
193.10127	10.2
194.10886	3.2
195.11726	16.0
196.12350	4.7
197.09756	2.1
197.13277	21.3
199.14842	7.3
201.16338	13.5
203.07036	29.9
203.14372	2.7
206.10954	3.2
207.11681	8.5
208.12402	4.5
209.13242	14.2
210.13808	2.4
211.14819	13.6
213.16400	5.5
219.11728	3.4
219.17378	3.1
220.12561	2.6
221.13290	7.6
223.14835	14.5
224.15494	2.2
225.09131	2.2
225.16432	5.7
227.18140	2.3
229.15833	2.1
231.11697	2.6
233.13297	3.5
234.13956	2.9
235.14815	6.1
237.16393	6.9
239.17970	4.8
241.19650	3.8
243.10156	20.0
245.13283	2.6
247.14775	4.4
248.15588	1.8
249.16544	3.8
251.18021	4.4
253.19655	2.5
259.15002	2.6
261.16476	4.4
263.17960	3.0
265.19595	4.6
267.21198	4.0
271.20615	1.9
273.16403	3.2
277.19525	3.7
279.21011	2.6
285.22211	4.8
291.20901	2.3
303.21310	2.1
305.23145	2.1
309.18457	3.2
321.22195	6.4
331.20282	2.3
337.28802	1.8
345.25861	2.9
349.21640	7.4
349.25519	2.3
459.35812	3.1
495.35840	2.3
523.28326	2.4
533.40826	4.0
551.27997	19.0
551.42493	28.5
551.50781	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	551.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01869	2.3
55.05509	1.8
56.75719	0.9
61.02921	1.6
67.05508	4.0
69.07063	2.4
69.21818	9.9
73.02950	1.0
76.58843	1.1
79.05495	3.9
81.03407	2.4
81.07042	4.0
85.06554	1.0
91.05474	9.6
93.07062	5.6
95.04987	9.6
95.08603	5.8
101.02386	1.9
105.07046	3.1
106.52872	1.1
107.04964	2.9
107.08598	5.1
109.06521	3.5
109.10110	1.0
115.05489	1.2
117.07014	3.7
119.04976	4.7
119.08578	2.2
121.06525	3.7
121.10159	1.6
123.08051	1.5
129.07010	2.2
131.08607	6.6
133.10129	2.0
135.04507	1.2
135.08072	4.3
135.11678	2.4
137.02345	2.2
137.05975	11.5
143.08575	2.1
145.06454	1.8
145.10097	1.5
147.04428	1.2
147.08055	2.2
149.02318	1.7
149.05963	1.3
149.09625	5.5
151.07558	1.4
159.08063	2.1
159.11681	1.2
161.02362	3.9
161.06003	3.6
161.09770	1.0
162.52661	1.1
163.03938	1.5
171.11740	1.4
175.03940	1.2
175.07602	1.7
175.67183	1.1
177.09094	7.3
178.06252	1.6
185.05992	2.6
187.03951	1.9
189.05376	1.4
195.08099	1.1
195.10138	2.7
197.09627	1.6
199.07568	1.2
200.04582	1.3
203.07034	41.3
225.05353	1.2
227.07025	1.6
227.12836	2.3
239.03348	7.6
241.08575	2.4
243.06372	2.3
243.10184	40.7
253.05101	2.5
267.03101	1.3
269.08069	3.7
271.06015	9.0
281.04349	2.3
283.06104	1.9
283.13300	1.1
283.58939	1.0
284.03107	2.2
297.07553	2.0
297.14758	1.6
297.75125	1.2
299.05502	48.7
299.16559	2.8
313.06818	1.4
314.07892	23.7
317.17313	1.6
325.14362	19.5
329.10199	100.0
405.21094	1.2
501.22784	1.3
551.26208	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94697	1.5
53.03949	2.5
55.01867	3.0
55.05504	5.1
57.07073	4.0
62.99637	1.3
67.05507	7.9
67.31960	1.6
69.07069	15.2
71.08629	2.3
71.58409	1.9
79.05489	6.6
81.07061	34.5
91.05474	11.0
93.07064	14.9
95.04974	2.0
95.08610	14.1
97.10139	1.5
105.07014	17.0
107.04957	3.2
107.08600	12.2
109.06508	2.2
109.10149	8.4
115.05441	2.1
117.07031	3.8
119.08597	14.3
121.10166	6.7
123.11752	3.1
128.06293	3.4
129.07019	4.6
131.04959	2.8
131.08575	6.1
133.06535	2.1
133.10167	4.3
135.04420	2.1
135.11703	6.8
137.13254	13.8
141.06995	4.1
143.08507	6.8
145.06483	6.0
145.10120	10.7
147.04430	5.5
147.08047	5.5
147.11693	12.6
149.02275	1.6
149.13254	4.1
153.06981	4.0
154.07755	1.9
155.08540	7.0
157.06476	4.3
157.10129	3.0
159.04286	1.6
159.08089	1.8
159.11705	4.3
161.02376	6.7
161.05963	9.5
161.13264	2.4
163.03925	2.2
165.07053	4.8
167.08611	5.1
169.06520	4.7
169.10103	3.7
171.08107	8.0
173.06015	7.6
173.13222	2.8
175.07532	3.2
177.09186	1.6
178.07762	2.5
179.08582	4.9
181.06479	8.9
181.10173	5.8
183.08101	6.7
185.06012	5.8
185.09691	2.1
185.13303	1.7
187.03966	4.5
187.07556	3.9
189.05502	2.8
189.09026	8.2
191.08643	2.6
192.09360	2.0
193.10152	4.9
195.08104	8.6
195.11717	3.3
197.05942	3.2
197.09714	4.8
199.07571	11.5
199.14861	1.8
201.09151	5.4
201.16397	6.7
202.07831	1.9
203.07025	68.5
205.10181	2.7
207.08083	3.9
207.11647	3.1
209.09676	5.0
209.13350	2.0
211.07597	5.4
213.09084	5.5
215.10663	2.1
219.08044	4.7
220.08841	2.0
221.05994	2.0
221.09738	5.3
221.13391	2.2
223.11232	5.2
225.09180	5.9
227.06934	7.1
227.10716	3.3
229.08617	6.8
233.09651	4.3
235.07658	1.7
235.11259	4.9
237.08992	3.6
237.12773	1.9
237.16441	2.5
239.07097	2.5
239.10683	1.7
241.08641	3.2
243.10175	35.9
243.12509	2.3
247.11266	5.7
249.12770	1.9
251.10754	3.4
254.24664	1.6
265.08679	1.4
265.12253	2.2
267.13797	2.0
273.12970	1.8
277.08704	1.5
279.98663	1.4
281.39313	1.5
289.15732	1.8
291.17505	14.7
293.15326	3.4
293.22330	1.7
303.21146	2.6
309.18500	24.2
321.22186	3.5
329.18906	3.6
331.16992	3.1
331.20563	18.6
332.21439	5.9
337.59991	1.5
349.21655	30.3
357.18408	10.8
375.19592	11.3
383.12991	2.0
389.64630	1.5
397.13840	2.2
401.14276	2.3
403.15347	1.7
415.15198	3.2
441.17242	2.9
505.27429	4.7
515.25403	2.7
523.28479	5.5
533.26807	23.4
550.62756	2.5
551.27960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73817	0.6
53.03928	1.1
53.17595	0.5
54.54219	0.7
55.01852	1.2
55.05510	7.4
55.35579	0.6
55.48152	0.6
57.07045	2.8
57.79651	0.6
67.05497	4.9
69.03432	5.1
69.07071	29.8
71.04651	1.2
71.08605	0.8
72.71859	0.6
79.05504	3.4
81.03401	1.9
81.07062	11.1
83.04985	0.7
83.08605	2.4
85.71729	0.6
91.05493	4.8
93.07043	5.8
95.01328	0.8
95.04944	1.1
95.08614	6.9
97.10125	0.7
105.07034	10.4
107.04943	1.7
107.08602	5.1
109.02863	0.9
109.06492	1.7
109.10154	5.2
111.11708	1.3
115.05437	1.5
117.06992	2.5
119.08555	5.2
121.10146	2.1
122.33424	0.7
123.11714	1.3
124.92796	0.6
128.06209	2.7
129.07025	5.6
129.21559	0.6
131.04909	0.9
131.08553	2.8
133.06531	0.8
133.10101	2.3
135.04362	0.9
135.11676	3.3
137.03917	0.5
137.13254	2.4
141.06969	2.8
141.96925	0.6
142.07748	2.2
143.08571	7.0
145.06474	1.7
145.10126	3.3
147.04454	1.4
147.08020	3.5
147.11710	4.4
149.02344	1.5
149.13219	2.0
151.03859	0.7
152.06212	0.9
153.06961	2.8
154.07742	1.3
155.08559	7.2
156.09354	0.9
157.06497	1.4
157.10138	5.0
159.08081	3.0
159.11623	1.8
160.05157	0.9
161.02347	5.5
161.06004	4.3
161.13301	0.9
163.03877	1.2
165.06982	5.2
166.07770	3.0
167.03412	1.2
167.08553	7.1
168.09308	1.9
169.06476	1.7
169.10133	8.8
171.08070	6.8
171.11644	2.0
173.05974	1.8
173.09599	1.8
173.13324	1.0
175.03839	0.9
175.07611	1.2
177.09024	1.4
178.07784	3.4
179.08543	6.8
180.09323	2.6
181.06453	1.8
181.10132	12.7
182.07266	1.7
182.10866	1.9
183.08023	3.0
183.11728	6.6
185.05981	2.6
185.09625	4.2
185.13248	1.4
187.03902	2.1
187.07590	1.1
187.11246	0.9
187.14911	0.8
189.05380	0.9
189.09091	2.9
190.07672	0.9
191.08620	3.2
192.09334	3.6
193.10136	9.1
194.07256	1.5
194.10902	2.8
195.08054	7.4
195.09692	0.9
195.10025	1.1
195.11710	10.7
196.08862	1.5
196.12491	2.5
197.09622	7.2
197.11488	0.8
197.11789	0.7
197.13272	5.8
198.06776	0.6
199.07500	3.8
199.11194	0.9
199.14931	0.9
200.04593	0.7
201.09090	2.6
202.07681	0.9
203.07031	88.5
204.07408	1.8
204.09206	1.5
205.10147	5.5
206.10912	2.5
207.08080	4.1
207.11682	6.2
208.08823	2.8
208.12453	2.6
209.09625	12.2
209.13235	8.2
210.10339	2.1
210.13980	1.4
211.07555	2.3
211.11169	4.1
211.14775	2.1
213.09113	6.7
213.16339	0.7
215.08664	1.0
215.10626	1.4
216.09325	1.0
217.10068	1.3
218.07234	1.4
218.10884	1.9
218.15768	0.7
219.08093	7.0
219.11603	5.3
220.08815	2.6
220.12434	2.7
221.09621	12.6
221.13159	4.2
222.10385	2.6
223.07574	1.8
223.11188	10.1
223.14771	2.1
224.08244	0.9
225.09128	4.3
225.12729	1.9
227.10715	1.0
229.08606	2.5
231.11649	1.6
232.08932	1.0
233.09607	8.6
233.13136	4.3
234.10443	1.4
234.13925	0.8
235.11179	10.7
235.14693	3.0
236.11937	0.7
237.09241	3.6
237.12762	6.2
237.16341	3.6
238.09932	1.4
239.10689	5.0
239.14288	0.9
239.17934	2.6
241.08632	4.0
242.55891	0.7
243.10162	19.6
245.09607	1.0
245.13248	2.5
246.14055	1.0
247.11197	5.5
247.14862	2.6
248.11983	12.0
248.15509	2.0
249.09242	1.7
249.12695	7.6
249.16411	2.1
250.13271	0.9
250.17165	6.6
251.10721	5.3
251.14377	1.9
251.17949	2.9
253.12288	1.6
253.19495	1.5
259.09363	1.2
259.14886	1.1
260.12115	0.7
260.15579	1.5
261.12796	1.9
261.16251	1.4
262.13504	1.1
263.10629	2.1
263.14236	4.0
263.17905	2.2
265.12265	9.7
265.15372	1.1
265.19464	0.9
267.13837	0.8
269.08084	1.9
273.12619	1.9
273.16367	0.9
275.14316	1.1
276.15167	2.8
277.08533	1.0
277.15945	2.1
277.19537	2.6
278.16684	2.8
279.13992	1.1
279.17249	1.1
279.21072	0.9
281.18927	1.3
287.14368	1.0
288.15048	1.4
289.16016	1.8
289.19485	4.3
291.10611	2.9
291.17450	57.3
291.20938	4.1
292.17850	1.8
293.15363	2.9
293.22598	8.6
299.09146	1.5
301.19482	1.5
303.17798	0.8
303.21048	1.9
305.15521	0.8
305.18967	3.0
306.16107	2.4
307.17227	0.9
307.20541	13.9
309.18484	8.9
317.18970	2.1
319.20636	5.0
320.21280	1.4
321.22119	68.5
322.22476	1.1
329.19025	1.1
331.20566	12.4
332.21365	10.3
337.17923	1.1
347.20132	5.0
349.21628	100.0
350.21945	1.4
357.14691	1.6
357.18677	1.8
375.19745	5.9
379.17108	0.8
381.14771	1.0
395.16617	1.8
421.17770	0.9
423.15396	1.2
429.18451	0.9
447.19653	0.8
449.17297	1.0
477.20868	0.7
477.27713	1.0
489.27829	1.0
505.27435	9.0
507.29050	11.7
509.26990	2.2
515.25861	0.9
523.28357	4.2
533.26923	24.2
534.27429	0.8
551.27960	46.2
552.28015	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	551.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01871	2.6
55.05501	1.7
58.58273	0.5
61.02927	3.6
62.55326	0.5
65.03935	0.8
67.05166	0.8
67.05508	13.1
69.03431	1.0
69.07073	8.7
69.61495	3.3
71.01360	1.3
73.02901	0.9
79.05507	3.1
81.03421	8.1
81.07073	5.6
83.04949	0.7
83.08610	0.7
85.02917	1.3
91.05489	7.3
93.07040	5.8
95.01350	1.1
95.04435	0.5
95.04947	2.9
95.08604	2.0
97.02911	0.6
98.05746	0.5
101.02369	1.1
103.03965	0.9
103.05453	0.7
105.07040	5.8
107.04967	2.2
107.08600	7.0
109.02885	9.2
109.05860	0.8
109.06532	7.5
109.10164	25.8
109.10922	1.2
111.04434	1.3
115.05463	1.1
117.07001	3.1
119.04937	0.9
119.08597	4.8
121.06487	2.8
121.10132	1.2
128.06230	1.7
129.06979	4.9
131.04942	1.6
131.08611	3.1
133.02913	0.8
133.06532	3.4
133.10141	3.0
135.04427	1.3
135.08072	3.5
135.11676	5.9
141.05469	1.7
141.06955	1.5
142.07791	0.7
143.08574	4.9
144.05713	0.7
145.06465	4.6
145.10130	2.7
147.04411	4.4
147.08064	10.0
147.11667	1.0
149.02321	2.3
149.09666	0.8
153.07005	0.8
154.07816	1.2
155.08586	3.6
156.09280	1.1
157.06488	3.5
157.10139	2.2
159.04483	0.7
159.08076	2.2
159.11674	1.5
161.02350	6.8
161.05986	8.5
161.09641	2.0
163.03900	1.7
163.07494	0.7
165.07050	0.6
167.08595	1.1
169.06357	0.8
169.10150	2.2
170.10934	0.8
171.08040	4.4
171.11682	4.1
173.06035	1.6
173.09622	1.4
175.03961	1.8
175.07559	3.0
175.11148	0.7
177.09109	0.8
179.08530	1.6
183.08043	6.9
185.05975	3.1
185.09608	2.2
185.13202	2.9
185.16130	0.7
187.03918	1.9
187.07533	2.1
187.11160	0.7
189.05521	3.2
189.07147	0.5
189.07463	0.5
189.09076	3.4
189.12708	2.6
191.06998	0.6
191.14236	1.1
193.10150	0.7
195.11694	1.5
197.09651	3.6
199.07565	1.0
199.11154	0.6
201.09059	1.9
201.12851	0.8
203.07042	100.0
203.14281	4.5
204.07344	1.3
211.11163	0.8
211.14806	0.8
213.09070	1.1
213.12675	0.9
215.10713	2.4
217.08653	2.8
225.09097	1.6
229.08598	0.9
229.12213	1.2
231.10161	3.2
231.13742	4.0
239.10480	0.7
239.14302	2.0
241.08607	1.6
241.12244	1.1
243.10194	14.8
249.11192	0.5
253.15891	1.1
255.10231	0.8
257.08096	0.8
257.11716	0.9
257.15408	1.3
259.13397	0.8
261.11169	0.8
263.16415	1.1
269.08118	3.5
271.09555	3.4
271.16882	1.3
281.17514	2.0
293.13828	1.1
297.11197	0.8
297.14725	0.6
299.16391	8.0
307.13242	1.0
317.17487	2.7
319.12872	0.8
325.14520	1.4
331.13214	0.9
331.19199	3.3
349.20074	3.8
357.17038	1.0
387.19501	0.9
393.20642	1.5
403.18948	0.8
433.16373	0.6
483.21127	1.1
501.22958	3.1
519.23828	1.4
533.25476	2.0
551.26398	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	551.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01874	3.2
55.05508	2.7
59.04990	0.6
61.02929	3.1
65.03940	1.2
67.05505	9.1
69.07070	8.4
69.36362	4.8
71.01358	1.1
79.05509	4.5
81.03421	9.5
81.07071	4.9
83.04977	1.2
85.02898	1.0
91.05486	6.5
93.07059	5.6
95.01356	1.4
95.04977	3.6
95.08599	1.9
98.20744	0.9
101.02374	1.5
103.03925	1.0
105.07040	6.6
107.04958	2.5
107.08598	5.7
109.02881	10.5
109.06528	9.0
109.10162	21.8
111.04432	1.3
115.05434	1.3
117.07044	3.1
119.04924	1.0
119.08590	4.9
121.06509	2.9
121.10098	1.0
123.11705	0.9
128.06224	2.3
129.07034	4.2
131.04927	2.1
131.08568	2.7
132.05678	0.7
133.02838	1.4
133.06474	3.2
133.10124	2.2
135.04410	1.3
135.08064	3.0
135.11697	5.5
141.05453	1.4
141.07048	1.4
142.07733	0.8
143.08588	4.3
145.06491	3.4
145.10115	2.6
147.04437	4.4
147.08052	8.8
149.02353	2.5
149.09596	0.9
151.03946	0.9
153.07040	0.9
155.08614	2.8
156.05827	0.6
156.09354	1.0
157.06487	3.2
157.10150	2.2
158.07195	0.6
159.04370	0.9
159.08070	2.1
159.11661	1.3
160.05182	0.8
161.02333	6.5
161.05995	9.1
161.09592	2.1
163.03903	1.4
163.07585	0.7
167.03445	1.0
169.06503	0.9
169.10106	1.6
171.08080	4.8
171.11694	5.1
173.06017	2.5
173.09607	1.2
173.13321	1.0
175.03934	1.9
175.07535	3.4
175.11217	0.7
175.14764	0.7
179.08624	1.6
181.10092	0.8
183.08035	6.6
183.11667	0.8
185.06032	3.5
185.09605	2.0
185.13246	1.6
187.03908	2.7
187.07544	2.7
187.11195	1.1
189.05481	1.7
189.09105	3.5
189.12700	1.1
191.07027	0.9
191.14325	1.0
195.07993	1.3
197.09645	3.0
199.11240	0.9
199.97301	0.7
201.09140	1.8
201.12738	1.7
203.07042	100.0
203.14331	4.9
204.07361	1.3
205.05029	0.8
211.07500	1.0
211.11046	1.0
211.14825	0.9
213.12737	0.8
215.10718	2.4
217.08643	3.4
221.13312	0.9
223.07487	1.0
225.09131	1.0
227.07094	0.7
229.08661	0.8
229.12268	2.5
231.10257	3.6
231.13837	3.4
239.10785	0.7
239.14322	2.1
241.08589	1.9
243.10176	18.7
249.14902	0.8
251.07106	0.8
253.15976	0.9
255.06641	0.6
257.08142	0.8
257.11636	0.9
257.15311	1.1
269.08151	3.4
271.09607	2.2
271.16962	0.9
281.15021	0.9
281.17612	1.7
289.10715	0.7
291.16257	0.8
297.11368	1.3
297.14728	1.1
299.16437	6.8
307.13351	1.3
317.17410	2.0
319.13211	1.3
325.14413	1.7
331.13290	1.6
331.19125	3.0
338.36041	0.6
349.20172	3.3
357.16510	0.6
387.19836	0.7
391.11703	0.8
391.19058	0.7
403.18906	1.3
440.49539	0.7
462.67950	0.8
483.20847	1.2
501.22614	2.2
519.23944	1.2
533.24933	2.0
551.26477	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	551.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01864	2.1
55.05502	2.7
58.37115	0.8
61.02937	4.0
67.05509	13.6
69.03427	1.7
69.07072	11.1
70.23628	2.0
70.24020	1.2
71.01347	1.7
73.02884	1.1
79.05500	5.5
81.03419	8.4
81.07078	7.1
83.05000	1.7
83.08598	1.0
91.05495	7.8
93.07047	7.4
95.04969	4.8
95.08619	3.6
98.20789	0.9
101.02385	1.5
103.03934	1.4
105.07043	6.2
107.04958	2.0
107.08595	7.1
109.02887	10.5
109.06515	8.3
109.10164	25.6
111.04428	2.2
115.05434	1.3
117.07005	3.3
119.04964	1.7
119.08595	6.4
121.02859	1.1
121.06495	3.5
121.10145	2.1
123.04425	0.7
127.14911	0.8
128.06206	1.5
129.07034	5.7
131.04933	1.7
131.08609	4.0
131.18919	0.8
133.02827	1.2
133.06503	4.2
133.10115	3.0
135.04398	2.1
135.08078	4.3
135.11696	7.0
137.05894	0.9
141.05487	1.8
141.06984	2.2
142.07796	1.3
143.08566	4.9
145.06552	4.3
145.10115	3.2
147.04396	4.2
147.08055	10.0
149.02345	2.3
149.09666	1.5
153.05542	0.9
153.06964	1.0
155.08549	3.4
157.06494	3.2
157.10115	1.8
159.08008	2.7
159.11714	1.3
161.02359	6.7
161.05989	11.2
161.09613	3.0
163.03946	1.6
163.07539	1.2
167.03438	1.2
167.08479	1.3
167.41844	0.8
169.10129	2.2
171.08043	4.9
171.11726	4.5
173.05983	2.1
173.09572	1.4
173.24013	0.7
175.03906	1.0
175.07579	4.0
175.11215	1.2
177.09158	1.7
179.08554	0.9
181.10199	1.2
183.08099	7.3
183.11661	1.2
185.05984	4.3
185.09622	2.4
185.13300	1.7
186.10538	0.8
187.03908	3.3
187.07570	1.9
187.11191	1.5
189.05516	2.3
189.09062	4.8
189.12756	2.6
191.07001	1.1
195.08086	2.1
197.09601	3.3
199.07498	0.9
199.11151	1.1
201.09033	1.9
201.12671	0.9
203.07039	100.0
203.14297	3.9
204.07474	2.0
211.07562	1.1
211.11113	1.6
211.14874	1.1
213.09096	2.2
213.12733	1.3
215.10709	2.6
217.08617	3.3
217.12245	1.1
223.07620	0.8
225.09132	1.7
229.08527	1.1
229.12314	2.0
231.10194	4.0
231.13754	4.3
239.14285	2.5
241.08629	1.8
243.10190	18.4
249.14786	1.0
255.13991	0.8
257.08115	1.0
257.15421	1.2
263.16391	1.5
269.08105	3.5
271.09592	2.3
271.17010	1.8
275.12766	0.9
281.15021	1.1
281.17731	1.8
283.09491	1.0
297.11002	1.2
297.14978	0.9
299.16492	10.1
304.10898	1.0
317.17487	2.2
319.13239	1.0
325.14401	3.8
331.18970	2.9
335.12598	0.9
349.20236	4.5
391.19257	0.9
393.20398	1.3
501.22748	3.5
519.23645	1.2
519.73187	0.8
533.25250	2.0
551.18445	1.2
551.26465	12.7
551.34760	1.4
551.54828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48624	0.7
53.03947	1.8
55.01865	2.8
55.05496	2.8
57.07048	0.7
59.05009	0.6
61.02921	2.3
62.43254	0.6
65.03893	0.8
67.05170	0.8
67.05508	10.3
69.07072	11.5
71.01342	1.7
71.57954	0.8
72.04533	0.6
79.05492	4.8
81.03418	8.0
81.07056	5.8
83.04995	1.1
83.08607	1.1
85.02908	0.8
85.70138	0.7
91.05478	9.0
93.07048	7.1
95.01341	1.0
95.04978	4.2
95.08597	4.0
101.02377	1.4
103.03975	1.1
103.05452	1.0
105.07024	8.3
107.04953	1.9
107.08603	5.8
109.02885	10.4
109.06522	10.4
109.10157	24.0
111.04426	1.2
113.02383	0.8
115.05453	1.4
117.07050	3.5
119.04955	1.8
119.06143	0.7
119.08587	6.3
121.06500	3.9
121.10132	1.4
123.11714	1.0
125.09542	0.8
128.06215	2.0
129.07005	4.0
131.04926	2.9
131.08548	5.4
133.06487	3.4
133.10124	3.7
135.04387	1.6
135.08055	3.3
135.11691	7.6
137.05983	0.9
139.03947	1.0
139.07463	0.9
141.05438	2.4
141.06976	1.8
142.07753	1.2
143.08572	4.7
144.05678	0.9
145.06502	4.3
145.10104	5.2
147.04416	3.8
147.08067	10.7
149.02328	2.0
149.09560	1.2
151.03885	0.9
155.08580	3.9
156.09320	1.1
157.06456	3.2
157.10127	2.6
159.04396	0.8
159.07980	3.2
159.11710	1.7
161.02336	6.2
161.06003	8.6
161.09631	2.9
161.13283	1.0
163.03871	1.3
163.07509	0.9
166.07745	1.0
167.03346	1.3
167.08543	1.4
169.10138	2.5
171.08058	6.3
171.11670	4.9
173.05989	2.2
173.09676	1.9
173.13184	1.2
175.03893	1.6
175.07555	4.0
177.09084	1.0
179.08650	1.5
181.10182	0.8
183.08057	7.8
183.11682	1.4
185.05969	3.3
185.09619	2.0
185.13260	3.5
187.03903	2.1
187.07570	2.9
187.11250	1.5
189.05431	2.6
189.09091	4.1
189.12691	2.6
193.10046	0.8
195.08089	1.2
195.11731	1.5
197.09625	3.4
199.07602	1.3
199.11192	0.9
201.05385	0.8
201.09119	1.5
201.12775	2.2
203.07034	100.0
203.14313	3.9
204.07445	0.8
209.09668	1.0
211.11122	1.1
211.14789	1.2
213.09081	2.2
213.12787	1.4
215.10651	2.2
217.08638	2.6
217.12137	1.2
225.09219	1.2
229.08539	1.9
229.12228	2.1
231.10172	3.1
231.13765	4.0
239.10580	1.0
239.14362	2.9
241.08607	2.2
241.12134	1.1
243.10176	14.9
249.14845	0.9
253.15993	1.3
257.08081	1.3
257.11670	0.9
257.15375	1.2
259.13315	1.4
267.10107	3.1
269.08060	1.9
271.09644	1.3
271.16937	1.1
273.14938	0.9
279.09995	0.7
281.14865	0.9
281.17532	2.5
299.16415	9.4
303.05179	0.8
317.17484	1.4
319.13312	1.3
323.16364	1.5
325.14337	2.7
331.19092	4.6
337.14337	0.9
349.20181	3.3
387.19873	0.9
393.20694	1.4
483.20502	1.1
501.22757	2.6
519.23651	1.9
533.25201	2.2
551.26477	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01869	3.4
55.05516	3.3
57.07084	0.7
61.02917	2.5
65.03922	1.0
65.05270	0.6
67.05502	5.8
69.03421	0.9
69.07072	6.8
69.42363	2.5
69.42786	2.4
71.01347	1.3
78.00700	0.6
79.05504	4.3
81.03423	11.0
81.07062	4.8
83.04978	1.3
83.08613	1.5
83.48203	0.5
85.02939	0.8
88.37529	0.6
91.05486	5.9
93.07052	6.8
95.01312	1.6
95.04980	5.1
95.08599	1.7
97.06549	0.7
98.21515	1.2
101.02391	1.1
103.03952	0.8
103.05477	1.2
105.07037	5.8
107.04976	1.5
107.08582	5.3
108.59917	0.7
108.88200	0.6
109.02886	8.4
109.06515	6.1
109.10161	6.9
111.04417	1.4
115.05453	2.1
117.07011	3.9
119.04955	1.5
119.08574	5.0
121.06498	3.9
121.10153	2.5
123.08064	1.6
123.11698	0.9
128.06236	2.5
129.07011	5.0
131.04910	1.3
131.08575	4.7
133.02869	0.8
133.06487	2.9
133.10132	3.0
135.04437	1.7
135.08070	2.2
135.11685	6.7
137.05975	1.0
141.05435	1.3
141.07016	1.7
142.07736	1.6
143.08568	4.7
144.05701	0.8
145.06479	3.8
145.10115	2.3
146.07407	0.7
147.04437	3.5
147.08069	6.2
147.11731	0.9
149.02342	2.5
149.09605	0.9
151.03893	1.4
152.48891	0.7
153.05554	1.2
154.07787	1.2
155.08583	2.7
156.09412	1.2
157.06516	4.6
157.10181	3.0
158.07368	0.6
159.04436	1.2
159.08041	2.9
159.11707	1.0
160.05199	1.2
161.02361	6.4
161.05978	6.7
161.09642	2.1
161.13206	0.9
163.03894	1.1
163.11198	0.8
165.06966	0.9
167.03383	1.8
167.08569	1.0
169.06570	1.3
169.10104	2.7
170.10866	0.6
171.08017	3.7
171.11688	4.6
173.05977	2.5
173.09689	1.8
173.13297	1.3
175.03883	1.7
175.07593	3.4
177.09152	1.5
179.08560	2.0
181.06528	0.9
181.10135	1.1
182.07315	0.9
183.08073	3.8
183.11691	1.5
185.06013	4.4
185.09612	1.4
185.13254	2.6
187.03882	2.6
187.07536	1.7
187.11194	1.1
189.05524	1.9
189.09119	2.3
189.12773	0.9
191.14302	1.5
193.10066	1.0
195.07976	0.6
195.11725	0.8
197.09644	2.8
199.07492	1.7
199.11137	0.8
201.09084	2.0
201.12740	1.9
203.07043	100.0
203.14293	5.0
204.07405	1.1
211.07529	1.2
211.11191	1.4
211.14851	1.1
213.09135	1.4
213.12738	1.2
215.10634	2.6
217.08565	2.9
217.15805	0.6
221.13382	0.8
223.07535	1.1
225.09137	1.4
227.10745	0.9
229.08633	1.5
229.12190	1.0
231.10178	1.4
231.13829	2.8
239.14272	3.4
241.08594	3.8
241.12302	1.0
243.10187	54.2
253.15987	0.9
255.06596	1.2
259.13330	1.5
269.08087	6.1
269.11746	1.7
271.09595	0.9
281.15085	1.2
281.17706	1.6
287.09238	1.1
291.15952	1.1
297.11255	1.3
299.16397	9.1
317.17487	1.6
319.13599	0.7
323.12689	1.1
324.82861	0.7
325.14371	2.2
329.10159	3.9
331.18985	2.0
349.20123	0.8
393.20609	2.0
403.18985	2.2
483.21411	1.0
501.22980	1.4
519.23932	3.2
533.25476	1.9
551.26385	15.7
551.34894	1.1
573.99945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01871	3.0
55.05506	2.2
55.61335	0.6
57.03419	0.6
59.04998	0.6
61.02917	2.4
65.03934	0.8
67.05512	4.9
69.03414	1.0
69.07079	3.3
71.01353	1.0
71.37776	0.8
71.38095	0.7
73.02899	1.3
77.03933	0.7
79.05490	3.1
81.03423	2.5
81.07058	6.6
83.04978	1.6
85.06535	1.4
91.05486	12.4
93.07043	8.3
95.01320	0.8
95.04971	12.9
95.08612	7.3
101.02373	2.5
105.03405	0.5
105.07011	4.2
107.04961	3.6
107.08595	4.1
109.02815	0.9
109.06519	4.8
109.10175	1.2
111.04417	0.9
115.05424	0.9
116.06260	0.7
117.07023	7.4
119.04953	5.8
119.08598	3.1
121.06506	8.0
121.10136	2.1
123.04393	0.9
123.08082	2.2
129.07005	2.7
131.04927	1.0
131.08569	9.4
133.02779	0.8
133.06483	1.9
133.10152	1.7
135.04456	1.4
135.08049	4.4
135.11670	2.2
137.05984	15.3
141.06958	0.9
143.08577	2.5
145.06474	3.5
145.10115	1.4
147.04396	1.7
147.08063	2.5
147.11702	0.8
149.02309	1.9
149.05956	1.5
149.09628	8.6
151.07584	0.9
154.07864	0.9
155.08607	1.2
156.09315	0.7
157.06447	1.4
157.10095	1.3
159.08067	2.9
159.11710	1.4
160.05182	1.6
161.02299	4.8
161.05977	3.7
161.09604	1.5
163.03929	1.2
165.07039	0.9
166.07758	0.8
167.03331	1.0
167.08514	0.9
169.10069	1.8
171.08067	2.0
171.11629	1.1
173.05981	1.6
173.09583	1.2
173.13371	0.6
174.06726	0.6
175.03906	1.2
175.07567	1.9
177.09116	10.3
179.08591	1.0
181.06438	1.1
181.10078	0.9
182.07256	1.3
183.08066	3.1
183.11800	0.8
185.06004	2.6
185.09602	0.8
185.13185	0.8
187.03879	2.0
189.05440	3.1
189.09193	1.3
195.08409	0.9
195.10176	4.1
195.11737	1.0
197.09615	2.4
199.07513	1.6
200.04546	0.7
201.05409	0.9
201.09097	2.1
203.07037	54.2
203.14311	1.5
204.79568	0.6
209.11734	0.8
211.07542	1.3
211.14992	0.6
213.09056	0.8
215.10674	2.7
225.09114	2.5
227.07063	1.0
227.12758	2.1
239.14299	1.4
241.08678	0.9
241.12222	1.4
243.10179	100.0
244.10503	1.8
253.15750	0.6
259.13376	1.0
269.08072	3.4
269.11691	2.2
271.09613	0.7
287.09155	1.0
291.15909	0.7
299.16400	2.8
307.13171	0.7
309.11328	0.8
325.14362	22.7
325.18182	1.2
326.14825	0.7
327.65097	0.6
418.06198	0.7
483.21667	0.8
532.23199	0.7
533.25153	1.2
551.26465	6.0
551.34448	0.9
577.62268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30555	0.7
51.93427	0.8
53.03948	0.9
56.96571	0.8
69.03413	1.2
71.46631	1.3
91.05487	1.6
93.07042	0.8
105.03420	1.9
105.07031	1.1
107.04987	0.9
115.05483	1.4
117.25690	0.7
118.04160	0.9
118.91029	0.8
119.04967	1.4
121.06518	3.0
125.02389	0.8
128.06244	1.1
132.05727	3.1
133.06534	2.4
135.04436	2.3
137.06010	4.5
141.06944	0.9
143.04935	1.3
145.06497	1.1
147.04424	1.7
147.08047	0.9
149.02353	1.0
151.03946	1.4
153.01857	8.3
155.04929	1.1
158.07285	7.0
161.06035	2.4
165.05498	6.9
167.07068	1.3
168.05769	2.0
169.06474	1.4
171.02950	1.4
171.04388	1.2
171.08054	1.7
175.03963	2.1
179.03513	1.1
181.04907	0.8
182.05806	2.1
182.07230	0.7
183.04497	1.8
183.08084	2.1
184.03694	1.6
185.06027	2.7
186.06754	7.4
193.04968	6.7
194.05733	2.2
196.05202	1.8
197.06038	2.4
197.08138	6.0
199.03979	2.0
199.07564	1.3
201.09108	7.5
207.06505	4.4
211.07539	2.0
213.05618	0.9
213.09140	1.5
214.06265	12.2
221.04459	4.1
222.05362	0.8
224.04752	0.9
225.05554	1.4
225.07617	1.9
227.07068	1.8
229.08592	1.7
239.07082	2.2
240.07973	1.3
241.05031	0.7
241.08580	1.2
242.05791	6.9
243.10300	2.7
253.04858	1.0
254.05791	1.2
255.06575	1.8
256.07315	5.3
257.08096	11.2
267.06543	1.5
269.04916	0.7
269.08176	3.9
269.10587	0.7
270.05267	4.5
270.08572	1.0
283.06012	1.6
284.06805	14.8
285.07590	70.8
286.07858	1.0
297.07602	9.7
298.08337	3.3
299.09158	79.8
313.07080	84.5
314.07602	1.2
315.08948	1.0
463.14209	0.8
499.39621	0.7
503.09760	0.9
519.12958	9.7
551.15527	100.0
552.15704	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	551.1036
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03945	2.1
55.01872	2.2
57.03431	0.9
61.02922	1.0
68.99792	1.7
69.03084	0.4
69.03436	6.9
70.90269	0.6
70.90605	0.6
71.04996	1.0
73.02914	2.1
78.15558	0.3
81.03420	8.3
83.01340	0.5
84.81760	0.3
85.02908	12.5
87.00367	0.5
87.00842	6.3
91.03941	0.4
97.02902	4.9
99.04456	2.7
105.01855	2.5
109.02884	7.8
110.82939	0.3
111.00836	1.0
117.01847	1.3
121.02862	1.0
127.03922	10.4
129.01831	0.4
137.02361	3.4
145.04977	3.4
147.02853	0.7
149.02356	0.5
153.01848	3.8
159.02913	4.3
161.06023	0.5
163.03922	0.7
165.01857	2.3
166.02640	0.7
173.05963	0.6
183.02925	0.6
201.05516	2.0
218.81648	0.3
219.06613	0.4
229.04996	5.2
231.05046	1.2
237.46739	0.3
247.05986	0.8
257.04498	2.6
274.04739	1.2
285.03952	1.2
301.07104	1.7
302.07404	0.9
303.05002	100.0
304.05304	1.4
415.40546	0.4
551.12201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01848	0.6
55.05492	0.7
57.03418	0.7
67.05489	0.6
68.99781	1.4
69.03427	6.9
69.07049	0.5
70.06602	0.5
70.69800	0.8
71.04982	1.2
73.02929	0.8
79.05472	0.9
81.03050	0.5
81.03426	5.5
81.07053	0.7
81.20756	0.4
85.02415	0.7
85.02904	9.0
86.09682	0.6
87.00829	4.5
91.05482	0.6
93.06999	1.0
95.04961	0.7
95.08578	0.8
97.02891	7.7
98.20879	0.5
99.04435	2.4
105.01851	1.4
105.07051	0.9
106.70121	0.4
107.08601	0.6
109.02857	2.7
110.07189	0.7
111.00807	1.1
121.02818	1.3
121.10171	0.5
123.57290	0.4
127.03922	7.2
137.02335	4.5
137.05984	0.8
145.04951	2.4
147.02867	0.6
149.02287	0.7
152.01062	0.6
153.01828	4.8
159.02867	1.3
159.11722	0.5
161.05968	0.5
163.03847	1.3
165.01802	2.2
183.02876	0.6
187.03896	0.6
201.05415	2.0
202.05978	0.5
204.69374	0.5
209.15163	0.6
221.86407	0.5
229.04948	5.1
231.04898	1.3
239.03615	0.5
241.04880	0.6
242.05370	0.5
247.05984	0.7
257.04425	2.3
269.82681	0.5
274.04663	0.6
285.03946	2.2
286.04599	0.6
287.04980	0.8
288.05301	0.9
301.07074	6.6
302.07385	5.3
303.04956	100.0
303.07755	6.1
304.05240	1.2
336.16440	0.5
338.94604	0.5
361.16724	0.6
389.12204	1.0
472.92804	0.5
551.18872	0.7
551.32379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.19979	0.5
56.96559	1.0
57.03431	1.5
69.03435	4.6
69.07054	0.5
69.76507	2.6
70.06611	0.4
73.02905	0.7
73.06564	5.8
79.05490	0.8
81.03436	1.0
83.05018	0.5
84.04506	1.7
84.08137	0.5
85.02910	10.0
86.09728	1.5
87.03983	0.4
87.04459	3.3
91.05548	0.4
93.07048	1.3
97.02890	4.8
98.97590	2.0
103.05471	6.5
107.04950	2.4
109.02891	0.8
115.03941	6.7
116.98643	0.7
120.08114	100.0
121.08422	1.1
126.05547	1.5
127.03939	2.9
130.08588	0.6
131.04924	2.1
133.04973	7.5
136.26804	0.5
145.04967	6.2
149.05969	1.8
149.90837	0.4
155.04742	0.6
160.62672	0.5
163.06046	2.8
166.08649	39.9
200.13936	1.1
212.06299	0.7
219.01744	0.6
223.11726	1.2
228.13490	1.1
237.02832	0.9
253.12805	3.7
272.72531	0.5
296.27612	0.4
347.19333	0.6
347.93793	0.4
376.85065	0.5
512.31903	0.5
550.19177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70380	0.8
53.00304	1.2
53.03938	1.3
55.01849	1.1
57.03420	0.8
65.03945	1.2
67.05491	2.4
68.99802	0.9
69.03423	2.4
69.07063	1.5
71.12090	2.2
73.14922	0.9
79.05499	1.9
81.03400	1.1
81.07058	2.6
85.02886	3.1
87.00800	1.3
91.05477	1.9
93.03410	1.7
93.07049	1.4
95.04993	4.2
95.08599	2.2
97.02888	1.8
97.06511	0.9
105.01904	1.0
105.07026	2.2
107.04958	10.9
108.05256	2.3
109.02889	1.2
109.10138	1.3
117.89909	1.0
121.06453	1.2
123.04436	90.3
127.03909	4.3
133.10121	1.5
135.04434	18.0
135.08034	2.0
136.04773	7.3
137.02296	3.5
137.05998	1.2
139.07526	2.2
143.03377	0.9
145.04900	2.5
147.04416	7.4
148.04935	1.6
149.05965	1.5
151.03908	100.0
151.07506	2.5
152.04234	1.1
152.07875	1.0
161.82707	0.8
163.03917	15.1
163.07600	1.9
164.04231	4.9
164.07979	1.4
165.05479	1.7
167.07076	1.9
168.07317	1.2
175.03918	19.7
207.24271	0.9
210.64607	1.1
213.05484	1.0
214.09409	1.0
227.07040	1.6
255.06512	3.1
273.11111	2.6
274.11624	4.3
276.25333	0.9
284.09677	1.0
285.07587	77.7
286.07904	2.4
301.10733	12.5
302.07773	0.9
302.11041	24.1
309.07733	1.7
327.08603	2.7
434.92383	1.1
440.83618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	10.4
57.03422	1.9
57.81794	1.7
66.55637	2.0
67.05476	1.8
71.38377	1.8
71.55950	2.1
71.95255	2.8
79.05473	3.1
81.07061	6.5
91.05480	3.6
93.07057	3.3
98.39359	1.8
98.97584	28.5
103.35685	1.9
105.07051	3.5
107.08558	2.2
109.10163	2.4
116.98623	17.0
119.08657	3.5
131.05005	1.7
134.99677	6.9
145.10103	2.2
147.04419	3.9
173.06047	5.6
177.05534	2.0
178.06351	1.9
185.13292	1.8
187.07509	4.4
191.06993	15.5
203.07077	3.8
211.07582	2.2
229.08466	2.7
257.08075	2.7
303.06577	3.7
307.06116	2.3
307.09698	4.0
318.08844	2.7
319.09732	3.5
321.11340	5.5
333.11292	5.5
335.09177	13.8
347.09305	4.4
347.12991	4.3
349.10770	7.1
350.11411	2.1
351.12146	2.7
361.10672	4.8
362.11481	5.1
365.07135	4.4
365.13889	82.3
366.14258	8.6
369.06299	4.9
391.05188	3.2
393.06815	4.3
393.13409	45.3
394.13776	4.5
395.13544	2.6
404.05170	2.1
407.08456	2.7
409.06064	11.7
419.08212	6.0
421.05823	2.7
422.06750	5.3
431.08655	2.8
433.06143	3.9
434.06625	5.2
436.08530	11.0
437.04477	5.2
437.10178	18.0
438.05838	2.5
448.04364	4.6
449.09177	7.3
452.07932	3.7
459.07843	5.9
461.05414	12.6
467.10178	18.8
468.09979	2.3
476.07794	2.3
477.08826	4.8
479.06509	18.6
485.11377	5.7
486.24405	2.1
490.11902	2.8
491.10196	63.8
493.28320	2.0
494.08856	3.6
495.09793	5.6
509.11255	100.0
510.11972	2.9
527.12439	13.9
532.12970	12.4
550.13770	3.3
550.21368	75.9
550.30627	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	550.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	10.4
57.03422	1.9
57.81794	1.7
66.55637	2.0
67.05476	1.8
71.38377	1.8
71.55950	2.1
71.95255	2.8
79.05473	3.1
81.07061	6.5
91.05480	3.6
93.07057	3.3
98.39359	1.8
98.97584	28.5
103.35685	1.9
105.07051	3.5
107.08558	2.2
109.10163	2.4
116.98623	17.0
119.08657	3.5
131.05005	1.7
134.99677	6.9
145.10103	2.2
147.04419	3.9
173.06047	5.6
177.05534	2.0
178.06351	1.9
185.13292	1.8
187.07509	4.4
191.06993	15.5
203.07077	3.8
211.07582	2.2
229.08466	2.7
257.08075	2.7
303.06577	3.7
307.06116	2.3
307.09698	4.0
318.08844	2.7
319.09732	3.5
321.11340	5.5
333.11292	5.5
335.09177	13.8
347.09305	4.4
347.12991	4.3
349.10770	7.1
350.11411	2.1
351.12146	2.7
361.10672	4.8
362.11481	5.1
365.07135	4.4
365.13889	82.3
366.14258	8.6
369.06299	4.9
391.05188	3.2
393.06815	4.3
393.13409	45.3
394.13776	4.5
395.13544	2.6
404.05170	2.1
407.08456	2.7
409.06064	11.7
419.08212	6.0
421.05823	2.7
422.06750	5.3
431.08655	2.8
433.06143	3.9
434.06625	5.2
436.08530	11.0
437.04477	5.2
437.10178	18.0
438.05838	2.5
448.04364	4.6
449.09177	7.3
452.07932	3.7
459.07843	5.9
461.05414	12.6
467.10178	18.8
468.09979	2.3
476.07794	2.3
477.08826	4.8
479.06509	18.6
485.11377	5.7
486.24405	2.1
490.11902	2.8
491.10196	63.8
493.28320	2.0
494.08856	3.6
495.09793	5.6
509.11255	100.0
510.11972	2.9
527.12439	13.9
532.12970	12.4
550.13770	3.3
550.21368	75.9
550.30627	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	549.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01854	1.9
55.05516	6.0
57.03438	7.3
61.02912	6.5
64.59657	1.0
67.05489	4.7
69.03439	22.8
69.07061	4.6
71.04982	2.8
71.41804	1.0
71.56512	1.2
73.02908	3.9
79.05500	7.1
81.03425	8.0
81.07063	7.2
83.04981	2.0
83.08605	1.8
85.02909	79.5
87.04467	2.9
91.03940	3.5
91.05472	13.3
93.07043	12.1
94.06553	1.2
95.04950	3.3
95.08601	6.8
97.02901	20.2
97.06545	3.2
99.04444	4.0
103.05447	1.4
105.07037	47.8
107.04948	1.9
107.08586	8.1
109.02878	9.9
109.06525	5.7
109.10155	3.7
115.03988	1.2
117.07014	3.2
119.08588	41.6
121.06509	3.9
121.10148	6.4
123.08077	16.2
123.11696	1.2
125.05990	1.3
127.03065	1.9
127.03918	19.2
131.08577	1.9
133.10159	5.4
134.71295	1.0
135.08072	11.9
135.11673	1.8
136.07549	1.8
137.05986	4.0
137.09602	1.3
137.34077	0.9
145.04979	18.5
145.10118	6.5
147.08041	1.5
147.11691	74.9
149.09601	7.5
149.13223	1.1
151.07553	4.0
151.11186	14.2
159.11682	1.4
161.13261	3.2
163.05998	2.8
163.11142	6.6
165.12766	67.3
166.13060	1.3
177.12766	11.0
179.14297	2.2
181.12285	5.3
187.11218	1.3
189.12808	5.3
207.13812	100.0
209.15419	5.4
225.14861	40.3
237.14775	2.0
241.04794	1.2
267.06448	1.3
286.04666	3.0
287.05362	1.4
297.07516	1.9
297.47751	1.5
298.04828	1.2
301.07040	14.6
303.05023	2.3
313.07062	3.8
321.07516	1.3
325.07004	1.4
369.19022	2.4
387.20081	1.8
429.28003	1.3
549.25592	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	549.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15665	2.0
53.03975	2.4
55.01867	3.3
59.04985	2.1
60.98392	2.3
67.05499	3.9
69.03450	13.1
69.07069	5.7
71.13038	4.4
79.05497	5.0
81.03432	3.0
81.07059	6.6
83.05014	2.4
91.05472	12.1
93.07060	10.0
105.07043	10.3
107.04977	4.3
107.08600	6.2
109.02925	2.6
109.06499	4.5
109.10212	2.3
115.05475	3.1
117.07009	5.0
119.04953	9.1
119.08598	7.2
121.06501	7.3
125.09669	2.3
129.07010	5.7
131.08568	9.1
133.10115	4.3
133.22772	1.8
135.04460	3.1
135.08102	1.9
135.11705	4.1
141.06955	5.9
142.07762	3.8
143.08580	7.8
145.06496	18.1
145.10135	3.5
145.50504	1.8
147.04381	2.5
147.08049	5.7
149.02350	3.7
149.05948	4.1
149.09534	2.8
153.07109	2.3
155.08627	6.8
156.09383	4.3
157.06430	3.9
157.10107	3.8
158.07286	3.0
159.08060	8.7
159.11697	2.7
159.21906	2.7
161.02373	7.5
161.05972	5.6
161.09544	2.0
161.13277	3.7
163.03902	1.9
163.07587	2.7
167.03476	3.0
167.08551	3.3
168.09230	2.8
169.10175	3.9
171.08023	5.6
171.11710	6.3
173.06000	4.2
173.09618	4.4
173.13326	4.8
175.07564	5.7
177.05470	21.0
177.09056	2.9
179.08597	2.1
180.09410	3.2
181.06511	2.9
183.08006	3.7
183.11655	5.2
185.05988	8.0
187.03871	5.8
187.07462	3.3
187.11212	3.4
189.05446	3.9
189.09067	3.7
189.12727	11.7
190.02470	4.0
191.03200	12.4
191.07039	2.5
193.10207	3.1
195.08104	5.8
195.11720	7.6
197.09605	3.4
197.88499	2.0
199.07587	5.2
199.11180	7.2
201.09052	4.5
201.12743	9.6
203.03398	6.3
203.07042	100.0
209.09764	2.9
211.07527	6.5
211.11096	4.8
213.09106	7.3
215.10786	2.8
219.06506	6.1
221.09546	2.1
223.07556	3.3
225.09119	8.3
227.07047	4.8
227.10654	3.6
229.08597	6.3
237.12648	3.9
239.07170	2.8
239.10757	4.1
241.08528	12.2
243.10213	30.2
243.13818	9.1
253.08549	3.1
253.12231	2.3
255.10187	5.2
255.13795	3.2
257.08316	2.1
257.11627	2.7
259.09598	2.8
269.08139	11.3
271.09610	2.2
271.13278	2.9
279.13834	4.0
283.09579	3.3
287.16373	3.8
297.14941	5.2
299.09204	3.1
301.10733	11.5
303.08823	3.1
311.16519	5.6
323.12830	6.5
329.17352	7.2
343.15323	3.9
347.18494	20.7
379.07846	5.2
395.11273	3.8
397.08972	20.5
413.12399	5.7
445.16156	4.4
471.21820	2.9
481.19769	7.9
495.21866	2.4
499.21194	21.4
513.22583	11.6
517.22205	30.9
531.23962	23.2
549.19958	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	8.4
59.19000	1.6
59.82220	1.9
67.05495	5.8
69.07061	3.4
70.06586	2.0
71.04994	2.1
71.55996	3.6
79.05493	5.2
80.07523	1.7
81.07059	6.8
81.14682	1.7
85.06555	1.9
91.05486	10.3
93.07033	3.9
95.04960	2.6
95.08593	4.6
97.06515	1.6
105.07047	6.3
107.04982	2.9
107.08587	4.1
109.06535	1.7
109.10171	3.1
112.03537	1.6
117.07049	2.6
119.08596	2.8
121.06441	2.1
129.07011	3.1
131.08582	2.3
133.10100	1.9
147.11719	3.4
157.10138	2.1
159.11577	1.8
177.08839	2.0
188.04526	2.3
191.07028	6.9
191.10561	2.2
193.04997	5.4
203.07089	5.9
205.05099	1.7
211.05853	1.9
229.08629	4.7
230.05521	2.4
251.05946	1.9
283.15131	10.5
293.08002	1.9
301.07251	6.4
303.09436	1.8
319.09338	1.8
333.11255	2.6
335.09171	3.6
339.17886	3.0
343.15158	6.7
347.18616	2.0
349.10870	2.5
361.10638	1.9
362.11395	2.1
365.09705	3.0
365.13852	31.5
366.14090	4.7
393.13541	22.4
394.13690	5.0
430.11783	4.1
430.61765	5.1
449.16275	3.6
467.10016	6.5
485.10947	5.5
509.11496	5.0
519.19934	12.4
549.20886	100.0
549.30206	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86408	1.5
52.88602	1.3
55.05507	2.4
56.96558	5.8
65.64752	1.4
67.05501	4.2
69.07068	3.4
69.46594	12.3
79.05486	3.5
81.03423	1.8
81.07054	6.7
91.05478	7.0
93.07048	4.5
95.04959	3.1
95.08612	4.1
105.07027	5.1
105.60499	1.4
107.08624	3.1
109.10141	1.9
119.08588	3.5
121.06458	3.0
122.80125	1.3
128.51912	1.4
130.21906	1.5
131.08487	1.6
133.10097	2.8
137.05963	1.6
143.08562	1.4
145.06526	1.6
145.10089	2.0
147.04430	2.9
147.11662	2.7
154.06169	1.9
154.07353	1.7
159.08090	1.6
163.03958	1.7
173.05858	1.4
188.04401	2.3
189.09212	2.1
191.07062	5.8
191.10414	2.3
193.03311	1.6
193.04933	4.2
203.07016	5.5
215.03105	4.3
229.08589	2.6
230.05470	2.5
261.08609	2.1
270.23929	1.5
283.09427	1.6
283.15140	10.9
301.07230	4.0
303.05881	1.4
307.09741	1.5
313.13834	1.8
333.11151	3.2
335.09146	2.6
339.17810	2.2
343.14963	8.0
344.94031	1.7
347.08844	2.5
351.15689	2.3
352.25580	1.8
353.09988	1.9
360.09396	1.9
365.09784	2.3
365.13889	24.9
366.14273	3.5
393.09290	3.4
393.13611	21.4
394.13824	2.8
395.10928	1.8
405.17621	2.6
411.14282	2.3
421.11044	1.7
430.11703	7.6
437.08823	2.1
439.11014	2.1
449.09341	2.8
449.16226	3.9
467.10004	4.4
485.10934	4.4
491.09958	2.8
509.11212	4.3
519.20123	11.8
531.19836	1.5
549.20819	100.0
549.30145	67.5
550.21069	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	549.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01965	0.6
69.07158	1.0
71.12185	1.3
79.05573	1.2
81.07185	2.1
82.89066	0.7
91.05621	2.4
93.06649	0.6
93.07166	2.2
95.05114	0.7
95.08706	1.0
97.53194	0.5
105.07182	2.4
107.08741	2.2
108.30492	0.6
109.05943	0.7
109.06615	1.3
115.05599	0.8
117.07188	1.7
119.08736	2.5
121.06676	2.7
121.10226	0.7
128.06271	0.7
129.07101	1.1
131.08742	1.4
133.06607	0.6
133.10254	0.7
135.04561	0.9
135.11806	1.2
139.28738	0.6
143.08623	1.2
145.06516	3.2
147.04581	0.7
147.08163	0.9
149.09796	1.5
151.07634	1.0
155.08710	0.9
156.09448	1.0
157.06636	0.7
157.10289	0.7
159.08153	1.2
161.02478	0.8
161.06099	1.5
165.07150	0.5
171.11879	1.7
173.02126	2.7
173.06004	3.2
173.13408	1.2
175.04103	0.8
175.07675	1.2
177.05606	1.1
177.09308	1.4
183.08253	0.8
183.11853	0.7
187.04013	0.7
187.07751	1.0
189.05608	0.8
189.09325	1.1
190.02426	4.3
191.03163	23.7
193.08658	2.8
195.08180	0.8
197.09747	0.6
201.05612	0.7
201.09285	0.9
201.12927	0.9
203.07042	13.8
204.07506	0.9
211.11349	0.7
213.09282	0.8
215.03337	1.6
217.08739	0.7
223.07661	0.7
227.07225	1.5
229.04932	0.9
229.08754	1.7
230.05779	1.6
231.10324	0.8
237.13008	0.7
241.08701	2.8
243.10190	3.4
243.14046	1.2
245.08063	9.0
269.08270	1.9
271.09674	0.6
271.13458	0.6
275.09158	3.3
275.16464	1.3
287.09390	0.6
297.15042	0.7
323.12894	1.7
329.17313	0.7
347.18600	3.3
353.10037	1.3
365.10233	0.8
379.07803	5.0
389.78745	0.6
395.11234	0.7
397.08981	100.0
398.09296	1.8
477.19458	0.7
513.22559	1.1
517.22052	0.9
531.23810	1.9
549.20691	19.6
550.20392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.5
57.07053	0.4
62.49216	0.5
67.05495	0.6
69.03448	0.4
69.07056	0.9
71.57954	1.0
79.05511	1.3
81.07059	1.4
91.05497	2.1
93.07033	0.9
95.08606	0.9
105.07040	1.0
106.99773	0.5
107.08622	0.9
109.06549	0.9
111.04445	0.6
119.08548	0.7
121.06497	0.5
129.07068	0.6
129.76753	0.5
141.07021	0.9
145.06523	1.0
145.10193	0.7
147.08061	0.6
149.02357	0.6
149.05891	0.6
155.08485	0.7
157.10164	0.6
161.06073	0.6
167.97501	0.5
173.02148	1.9
175.07587	0.9
177.05495	1.8
181.06499	0.6
183.11694	0.8
187.07553	0.6
190.02383	3.6
191.03172	22.9
199.07532	0.6
201.12735	0.6
203.07054	8.4
215.03154	1.9
223.07809	0.6
229.04779	0.5
230.05548	1.2
241.08665	1.0
243.10127	1.5
243.13809	1.6
269.08118	3.4
301.07190	0.9
311.16574	0.7
329.17590	0.7
347.18567	0.7
353.10083	0.7
375.18939	0.6
379.07907	4.7
397.08981	100.0
398.09140	1.5
414.12598	0.6
440.92310	0.6
467.17126	0.5
474.08276	0.5
513.22900	2.3
531.23541	5.0
549.20972	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.01868	2.9
55.05510	0.9
57.03436	2.3
57.07063	0.4
61.02937	2.1
65.03944	0.9
67.05500	1.7
68.99803	3.3
69.03432	7.6
69.07057	1.5
69.30779	2.3
69.31198	1.4
71.01363	0.5
71.04990	1.3
73.02918	2.1
79.05494	4.1
81.03423	9.1
81.07067	5.0
82.04176	1.0
83.08588	0.7
84.81562	0.4
85.02911	19.0
85.06539	0.8
87.00834	9.2
91.05489	2.4
93.07036	1.4
95.04969	1.3
95.08610	3.3
97.02911	7.1
99.04470	3.0
103.03947	1.4
103.05428	0.5
105.01871	3.3
105.03385	0.8
105.07017	1.2
107.04951	1.5
107.08591	1.3
109.02890	7.5
109.05997	0.4
109.06549	3.8
109.10152	2.4
110.03671	1.2
111.04447	0.8
115.03934	0.8
115.05428	0.5
117.01859	1.6
117.03320	0.5
117.06999	0.7
119.04935	1.6
119.08563	0.9
121.06532	2.5
121.10152	1.3
123.08094	1.1
123.11735	0.8
125.05979	1.0
127.03930	10.1
129.01837	1.4
129.06941	0.7
131.04893	0.9
131.08548	0.4
133.02815	1.0
133.06473	1.5
133.10178	0.7
135.04434	1.0
135.08034	0.7
135.11708	0.8
137.05986	30.8
137.13217	0.4
138.03128	20.0
139.07556	1.0
141.07019	0.5
145.04933	2.4
145.06522	1.2
145.10222	0.6
146.03635	0.5
147.02905	1.1
147.04437	2.0
147.08025	0.7
148.05109	0.5
149.05980	2.1
149.10953	0.4
150.03072	0.6
151.03899	1.0
151.07567	1.5
152.04585	0.4
152.06204	0.5
153.05475	100.0
154.05829	1.2
155.08563	0.7
159.02895	4.0
159.04317	0.9
159.08083	0.5
160.05202	0.6
161.05988	10.0
162.03082	2.7
163.03912	1.5
163.07501	1.0
163.14902	0.5
165.05484	2.0
165.06941	0.6
167.07117	2.2
167.08408	0.5
173.05957	0.7
173.09669	0.5
174.06757	0.7
175.03963	0.9
175.07564	1.3
177.05473	10.3
178.09648	0.4
179.07068	5.8
179.08537	0.7
181.04961	0.4
181.06517	1.0
183.08096	0.9
185.06047	0.8
185.09622	0.4
187.03897	0.5
187.07518	0.7
189.03935	0.8
189.05428	0.6
189.09042	0.6
190.06329	0.6
191.07094	1.3
191.17923	0.5
193.04996	1.5
195.06555	9.2
195.08080	0.9
198.06821	0.9
199.07535	1.1
201.05511	1.5
203.07001	4.1
207.06560	1.2
210.06807	0.6
210.28076	0.5
211.07544	1.2
213.09161	0.8
215.06953	0.8
219.06496	4.4
219.08226	0.5
221.06097	0.7
223.07619	1.1
225.05586	0.8
225.09068	0.7
226.06203	0.6
227.07047	0.8
231.04799	0.8
231.06787	0.8
233.08221	0.8
234.06833	0.9
235.07616	0.5
237.05464	0.6
237.09129	0.5
239.06979	1.0
241.08652	1.2
243.06607	0.7
245.08112	0.6
247.07654	0.5
247.24274	1.1
249.07632	0.5
250.06236	0.8
251.07124	1.3
252.07878	0.6
253.04962	0.7
253.08635	1.1
257.08243	1.0
261.07550	4.0
263.07047	0.7
265.08646	1.4
267.06512	1.4
268.07178	0.5
269.08176	3.3
270.08795	1.0
271.06110	0.6
279.06561	0.5
281.08066	1.6
283.06125	0.9
283.09515	0.8
283.26331	0.8
284.06778	1.6
285.07584	1.7
286.04849	0.9
287.05530	1.2
293.08084	3.2
294.08914	1.0
295.05997	0.6
297.07709	0.7
297.11179	0.5
298.08371	1.0
299.09125	3.1
300.09842	1.5
301.07114	2.5
301.10681	5.0
305.07953	0.5
307.09708	1.4
309.07593	0.4
311.09262	3.0
313.10736	7.4
321.10901	0.6
323.08905	0.7
325.10748	5.3
326.27924	0.5
335.09079	1.3
337.10788	0.7
339.12738	0.5
343.11728	5.2
349.10770	0.5
363.12259	0.9
365.08350	1.1
367.11816	3.3
377.10306	1.5
391.11801	2.1
409.12836	9.9
427.13892	0.5
495.13382	0.5
513.13995	1.4
517.17944	0.7
549.14874	0.5
549.37762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83233	0.6
53.03954	2.7
55.01874	3.6
56.54754	0.5
57.03428	2.0
61.02909	1.3
65.03927	0.9
67.05503	0.9
68.99778	2.6
69.03121	0.7
69.03440	7.3
69.07071	1.2
69.32890	5.3
71.01349	0.5
71.04992	1.5
73.02911	2.4
79.05502	4.1
81.03425	7.5
81.07072	2.7
82.04184	1.1
83.08606	0.5
83.63760	0.5
85.02423	1.1
85.02911	16.0
87.00372	0.7
87.00842	8.4
91.05477	2.0
93.07069	1.2
94.04176	0.7
95.04970	1.3
95.08589	2.1
97.02906	6.7
98.20708	0.9
99.04465	3.8
103.03942	0.7
105.01888	3.6
105.07059	1.1
107.04951	1.0
109.02885	7.4
109.06520	3.6
109.10136	1.5
110.03676	1.3
111.04471	0.5
115.03938	0.6
117.01852	1.3
117.06980	0.6
119.04942	1.2
119.08550	0.7
121.02956	0.5
121.06519	1.8
123.04431	0.7
123.08102	0.8
123.11716	0.7
125.05972	1.3
127.03934	9.6
129.01862	2.2
133.02853	0.9
133.06528	1.3
135.04407	0.6
135.11661	0.7
137.05984	31.9
138.03133	17.3
138.04202	0.7
139.07582	0.6
145.04980	3.3
145.06477	1.1
147.02953	0.6
147.04401	2.0
148.05209	1.0
149.05998	1.6
150.03078	0.6
151.03995	0.7
151.07520	1.0
153.05476	100.0
154.05785	0.9
159.02882	4.3
161.05983	9.9
162.03143	1.7
163.03931	1.1
163.07538	0.8
165.05492	1.0
167.07040	2.4
175.03915	0.9
175.07555	1.5
177.05496	8.2
178.06186	0.8
179.07068	5.4
189.03925	1.3
189.05472	1.2
191.07001	1.1
193.04906	1.4
195.06543	8.3
195.08087	0.8
199.07620	0.8
199.11015	0.6
201.05484	0.9
203.07112	3.7
207.06532	0.9
209.06087	0.8
210.06778	0.8
213.09096	0.9
215.06999	1.2
219.06500	5.2
223.07512	0.9
225.09146	0.8
227.07054	1.5
231.04968	1.0
233.08125	1.2
239.07106	0.6
240.07776	0.8
241.08701	1.3
245.08089	0.8
247.24197	1.3
251.06981	1.2
253.08699	1.3
255.06447	0.7
257.08142	0.8
261.07541	4.2
263.06830	0.7
265.08649	1.8
265.25500	0.6
267.06476	1.3
269.08109	3.6
279.06479	0.6
281.08087	1.5
283.05957	1.4
283.09561	1.2
284.06836	1.2
285.07550	1.1
287.05634	0.8
287.09784	0.6
289.08868	0.7
293.08020	2.9
298.08340	1.1
299.09134	2.6
300.10016	1.4
301.07080	1.7
301.10645	4.6
307.09692	1.0
311.08997	2.9
313.10681	8.1
325.10803	6.2
335.09286	2.0
336.10059	0.6
337.10602	0.7
339.12393	0.9
343.11774	6.7
349.10776	0.9
352.31705	0.6
363.12509	0.8
365.08826	1.9
367.11743	3.4
377.10156	2.0
380.91437	0.6
381.13293	0.6
391.11819	2.8
394.10519	0.8
409.12860	10.0
427.13818	0.6
475.35425	0.6
513.13904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.1
69.03410	0.5
69.84628	0.8
81.03425	0.2
83.20245	0.2
85.02895	1.1
86.09410	0.2
91.05483	0.2
95.08571	0.2
96.98730	0.1
97.02880	0.5
99.04464	0.2
105.03396	0.2
105.07027	0.4
109.02851	0.3
119.08594	0.2
121.02837	0.2
121.06528	0.3
123.00775	0.4
123.04378	0.2
123.08073	0.2
124.01591	0.4
127.03918	0.4
129.06990	0.9
134.03627	1.6
135.04532	0.2
137.02362	0.2
137.05971	0.4
139.05437	0.3
143.04921	0.2
145.05002	0.2
145.10133	0.1
147.04367	0.2
147.11703	0.3
149.06113	0.2
151.00294	0.3
151.03949	0.2
151.07506	0.2
152.01050	7.5
153.01836	4.3
157.06450	0.7
165.12730	0.4
167.04967	0.5
170.02130	1.3
174.06770	0.3
175.03851	0.7
184.05191	0.5
185.05971	2.0
195.04373	0.5
199.07568	0.3
201.05461	0.2
202.06262	1.0
207.13805	0.9
209.11742	0.6
209.15164	0.2
212.04691	1.2
213.05434	1.7
223.04106	0.2
225.14766	0.3
227.07037	0.3
229.04944	1.5
230.05730	2.5
239.07445	0.2
240.04140	0.3
241.04938	6.4
242.05357	0.2
245.08138	2.3
255.06441	0.8
257.04388	0.3
258.05219	0.7
269.04443	5.7
273.07529	0.3
284.00162	0.2
285.03909	1.7
286.04718	13.2
301.07065	100.0
302.07352	1.3
303.04956	0.2
313.07004	0.3
379.08514	0.2
387.19336	0.2
513.14136	0.2
549.25049	0.3
577.28503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1243
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
53.03913	0.2
55.01852	0.2
55.05496	0.2
57.03444	0.2
67.05482	0.3
68.69620	0.2
69.03427	0.7
71.04967	0.2
71.58261	0.2
71.58664	0.2
73.98997	0.2
79.05470	0.4
81.03419	0.5
81.07063	0.3
85.02913	2.3
87.36961	0.2
90.87480	0.2
91.05461	0.3
93.07024	0.3
95.04995	0.3
95.08611	0.2
96.86034	0.2
97.02895	0.9
99.04427	0.3
105.07040	0.7
107.04935	0.2
107.08599	0.6
109.02814	0.3
109.06532	0.4
119.04920	0.3
119.08598	0.3
121.06538	0.5
121.10104	0.3
123.00795	0.4
123.08088	0.6
124.01572	0.4
127.03896	0.6
128.06200	0.2
129.07004	0.7
133.10136	0.9
134.03635	1.5
137.02319	0.4
137.05968	0.7
139.05426	0.3
145.05031	0.3
151.00302	0.4
151.07568	0.4
151.11229	0.2
152.01056	7.3
153.01834	3.9
157.06467	0.5
163.11195	0.5
167.04950	0.6
167.07092	0.3
170.02150	1.5
174.06903	0.2
175.03905	0.8
184.05251	0.6
185.06001	2.3
189.12808	0.4
195.04399	0.5
198.67613	0.2
201.05464	0.4
202.06284	1.1
207.13808	3.8
212.04695	1.1
213.05458	1.9
225.14861	0.4
227.07072	0.4
229.04941	1.9
230.05757	2.3
240.04210	0.4
241.04956	6.4
241.07458	0.3
245.08119	2.2
255.06534	0.6
258.05255	0.8
269.04446	5.7
273.07507	0.4
285.03928	1.5
286.04718	12.9
287.05429	0.3
301.07074	100.0
302.07440	0.9
303.04971	0.5
361.02271	0.3
543.89130	0.2
549.12305	6.1
549.19330	0.3
549.25787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1246
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
69.03420	0.2
70.86392	0.2
70.86726	0.1
78.19568	0.1
80.66855	0.1
81.03408	0.2
84.42996	0.1
85.02876	0.2
107.71796	0.1
127.03893	0.2
134.03639	0.2
137.05989	0.3
145.02786	0.2
145.04863	0.1
149.05719	0.1
151.03856	0.1
153.01820	1.2
177.05450	0.2
185.06116	0.1
197.06038	0.1
213.05472	0.1
225.18289	0.1
229.04930	0.7
230.05672	0.1
237.05469	0.1
238.05821	0.2
241.04950	1.1
242.05428	0.2
245.08223	0.1
254.05716	0.1
258.05255	13.0
267.06406	0.1
267.84396	0.1
269.04483	1.2
270.04929	0.1
271.05142	0.2
283.05969	0.2
284.06589	0.1
285.06760	0.2
286.04727	33.1
287.05118	0.3
299.05499	1.1
299.09155	0.9
300.05890	0.8
300.09503	1.2
301.07059	100.0
302.07401	1.1
463.12320	1.5
531.11096	0.3
549.04199	0.2
549.12421	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	548.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35882	3.6
53.81152	3.7
55.05511	17.5
55.75372	3.9
57.03429	15.5
61.02917	5.1
67.05515	40.4
69.07053	12.0
70.59891	5.6
70.60250	11.5
71.05011	4.6
79.05505	36.8
81.07053	59.2
83.04988	4.3
83.08638	4.4
85.02909	7.0
85.06558	6.7
91.05479	37.0
93.07040	63.8
95.08604	42.4
97.02918	6.2
105.07027	38.5
107.08601	36.5
109.10146	11.0
117.07027	9.5
119.08581	28.5
121.10136	23.7
123.11707	5.2
129.07022	8.2
131.08572	15.7
133.10132	30.5
135.11693	23.3
143.08611	5.7
145.10112	17.7
147.11674	21.9
149.13232	12.5
157.10109	9.0
159.10368	3.9
159.11700	18.2
161.13277	12.5
163.14796	5.3
171.11734	8.7
173.13293	8.8
175.14857	7.8
185.13266	6.0
187.14839	13.4
199.14819	4.9
201.16347	6.0
211.07573	4.9
229.08662	11.1
241.19542	17.5
255.52689	4.2
259.20602	43.1
269.17535	12.0
277.21652	32.5
333.24136	4.6
334.65033	4.4
339.08862	7.5
351.25287	100.0
356.97736	4.2
399.80490	4.0
430.11636	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	548.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.05512	21.0
57.03448	24.1
59.39744	4.6
61.02917	8.2
67.05506	52.8
69.03421	5.5
69.07070	22.8
69.80054	4.3
69.80399	26.3
76.35619	3.7
79.05501	73.0
81.03468	4.8
81.07064	68.2
83.05048	4.9
83.08619	14.7
85.02892	10.8
85.06525	6.2
91.03942	4.4
91.05485	60.3
93.07043	80.5
95.04976	7.3
95.08601	56.3
97.06514	5.9
97.10196	6.1
98.20708	5.0
99.08096	5.6
105.07035	59.6
107.08591	57.3
109.06503	10.2
109.10167	23.9
113.09641	5.5
117.07022	16.5
119.08588	51.7
121.10146	44.1
123.08105	9.4
123.11746	9.8
125.09598	5.3
127.03927	5.2
128.06281	5.5
129.07047	5.0
131.08585	31.7
133.10158	36.3
135.08064	5.4
135.11702	29.2
137.09697	4.3
143.08557	8.7
145.10124	27.2
147.11688	41.1
149.13261	16.6
157.10129	8.7
159.11713	32.9
161.13264	20.9
163.14926	8.1
166.38622	4.1
171.11674	10.0
173.13286	12.4
177.12799	7.6
177.16330	4.9
185.13254	13.8
187.14856	20.9
199.14821	7.5
201.16394	6.8
203.07097	8.8
205.15955	7.7
219.17450	9.1
229.14371	5.3
231.20975	4.5
241.19577	21.3
259.20587	49.5
269.17352	5.7
277.21643	47.0
283.09604	8.2
351.25314	100.0
530.22119	6.2
548.23706	5.1
549.20758	5.2
576.11115	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	549.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37857	0.2
65.76401	0.2
68.99785	0.2
69.03426	0.3
70.73414	0.4
70.73743	0.2
81.03429	0.2
85.02897	0.4
91.09372	0.2
98.21413	0.2
105.98635	0.2
109.02878	0.3
111.90497	0.2
123.00789	0.6
124.01587	0.4
127.03895	0.5
131.04877	0.4
134.03647	1.8
144.25323	0.2
149.02342	0.8
152.01038	0.8
153.01833	6.6
157.06477	0.4
161.02368	0.2
170.02103	0.5
175.03880	0.3
176.26111	0.2
184.05127	0.2
185.05972	0.4
199.03857	0.5
202.06227	0.7
203.20320	0.2
213.05484	2.2
229.04953	3.5
230.05743	1.9
241.04967	8.5
245.08078	0.9
257.04550	0.2
258.05276	0.8
268.03598	0.2
269.04462	12.7
273.07529	0.3
285.03946	0.8
286.04736	14.0
301.07074	100.0
302.07391	1.3
434.51730	0.2
548.34912	0.4
549.12140	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	548.213
Annotation	Colchicoside
Peak:m/z	Relative Intensity
53.03944	0.4
54.32272	0.3
55.01851	0.8
58.06595	0.9
61.02924	0.6
65.03926	0.6
69.03445	1.9
70.06584	3.1
71.04980	0.5
71.57690	0.4
72.08129	0.7
80.50995	0.4
81.03406	1.1
82.06577	0.9
84.04555	0.5
84.08138	1.0
84.80892	0.3
85.02911	4.5
87.04449	0.5
88.03997	1.9
91.05482	14.9
93.03403	0.7
95.04942	0.5
97.02876	1.6
99.04447	0.6
102.05513	0.4
103.05470	1.0
105.03407	2.5
105.07017	1.6
107.08605	0.6
109.02895	0.8
115.05437	0.4
116.07090	3.7
121.02856	1.7
121.06567	0.5
124.07554	0.6
127.03886	1.1
128.07091	2.2
131.04898	1.0
135.08130	0.4
137.09662	0.4
141.06979	0.6
143.08569	0.4
147.04442	0.7
157.06468	0.9
159.04433	1.9
159.10159	0.5
167.08502	0.4
171.04422	0.6
173.05959	0.6
175.03894	0.7
175.07578	0.6
177.05466	0.6
181.10120	0.6
185.05956	3.1
187.03955	2.0
187.07501	1.9
189.05432	0.6
191.08592	0.6
197.05907	0.9
199.07458	0.8
202.07751	0.4
203.07133	0.6
207.08130	0.8
207.13776	0.5
207.31911	0.4
209.09587	1.1
213.05429	2.9
215.06947	0.7
216.76167	0.5
217.10123	1.0
222.08824	0.4
225.05510	0.8
225.09068	0.7
229.00908	0.4
235.11206	1.1
237.09061	1.3
241.04951	1.2
243.06607	1.2
245.09642	1.1
249.51442	0.4
253.08604	11.2
263.10629	3.2
265.08630	8.3
265.11966	0.8
271.09647	1.4
273.09055	1.1
276.14148	0.4
277.08624	5.3
281.11646	0.7
287.05368	0.6
291.10172	5.3
293.11685	1.7
294.14960	0.5
295.06046	0.6
296.06274	0.6
301.07062	3.6
304.13239	0.6
306.14886	0.9
309.11301	0.7
319.09766	1.1
322.14395	31.4
324.15985	0.5
337.10693	1.5
350.07553	0.6
368.14935	100.0
369.15182	1.8
373.13962	0.7
380.08636	0.8
386.15952	11.6
392.08301	0.6
398.09433	0.6
410.09732	0.7
428.10571	0.7
482.11603	0.6
512.12476	0.9
517.14478	0.9
530.12457	0.6
530.20251	9.0
548.21600	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	547.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.01868	7.9
55.05515	49.7
57.03431	14.1
57.07073	8.2
59.05002	2.3
59.06103	1.7
60.42065	1.4
65.03925	3.9
67.05505	94.0
67.73145	1.6
69.03426	4.1
69.06718	2.5
69.07072	45.4
71.04987	5.4
71.08625	5.2
71.38080	2.9
72.04520	17.8
73.04862	1.8
74.09684	1.7
74.31499	1.6
79.05054	3.2
79.05495	49.5
81.03419	58.2
81.07059	100.0
83.04968	9.2
83.08618	37.8
85.02902	2.2
85.06539	6.0
85.10206	2.9
87.09221	5.2
91.05487	46.9
93.07052	50.7
94.98282	1.5
95.04973	42.1
95.08608	63.4
97.02855	1.9
97.06541	11.1
97.10173	28.4
99.08099	2.7
101.06042	1.6
103.05481	1.5
105.07034	48.0
107.04965	12.8
107.08600	34.8
109.06537	8.9
109.10165	33.4
111.08080	10.9
111.11719	3.4
113.09653	1.8
115.05480	1.7
117.07027	12.0
119.04900	2.0
119.08583	33.7
121.06513	10.9
121.10158	22.7
123.08076	6.7
123.11692	13.0
125.09636	15.6
128.06219	2.4
129.06987	9.1
131.08580	22.1
133.06491	3.5
133.10130	21.0
135.08067	4.6
135.11681	15.3
137.09660	4.5
137.13284	4.4
141.06987	2.4
142.07828	3.1
143.08607	5.9
145.06538	1.5
145.10132	16.6
147.08070	3.8
147.11674	14.1
149.09691	5.1
149.13234	7.7
151.03792	2.5
151.11279	1.6
151.14868	2.0
153.09142	2.1
155.08569	4.5
157.10133	11.0
159.11679	11.1
161.09647	1.8
161.13278	7.8
163.11186	7.9
163.14879	3.7
165.12767	3.0
165.16350	1.9
168.36812	2.0
169.10155	4.4
171.11728	4.1
173.13286	4.8
175.11198	7.1
175.14838	7.8
177.12762	5.2
179.17957	1.7
183.11746	3.7
185.13313	5.7
187.11195	3.8
187.13391	2.0
187.14868	5.6
189.11168	10.6
189.16446	4.6
193.12256	24.0
195.11751	2.1
197.13333	3.3
199.14836	3.3
201.16467	3.4
203.07007	7.3
203.17989	2.4
205.12221	3.6
209.13284	1.7
211.13217	2.9
211.14986	2.5
213.14825	1.7
223.13133	2.1
223.15143	2.3
227.10750	2.5
227.12764	11.4
241.18004	3.7
245.22728	5.7
249.14935	4.7
257.22769	1.6
263.23795	9.2
267.15909	51.4
275.20096	3.0
285.07510	1.7
285.13538	1.7
287.23737	4.1
289.21597	6.3
301.25473	4.0
303.23380	2.9
303.26749	14.4
305.24783	2.8
311.20264	2.1
313.07172	8.1
319.26370	2.4
328.09476	2.2
329.19907	1.7
329.24799	2.6
337.27390	47.8
341.19577	1.9
343.11813	13.1
343.22910	1.8
361.27524	2.6
397.25888	5.1
419.32993	2.4
421.25974	2.8
427.35995	2.5
435.27112	2.8
437.34146	12.0
455.35269	27.0
473.36325	16.4
503.37872	2.1
511.37653	2.1
529.38898	82.3
547.39978	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01870	2.9
55.05516	26.1
55.09093	1.9
56.05849	5.5
57.03442	6.5
57.07072	3.1
61.18571	1.9
65.03929	4.8
65.51242	1.7
67.05513	53.4
67.34660	1.7
68.05846	9.8
69.03431	5.2
69.07076	30.8
70.07406	2.8
71.04995	2.2
71.55682	1.8
79.05503	35.6
80.05840	5.8
81.03433	16.1
81.07065	100.0
82.07429	9.3
83.04970	6.0
83.08638	13.2
84.08937	3.4
85.06512	2.5
91.05489	81.7
92.05826	32.3
93.06157	4.8
93.07058	39.1
94.07397	6.2
95.04977	13.3
95.08617	43.1
96.05311	2.9
96.08959	7.3
97.06558	2.5
97.10180	7.9
98.10506	3.6
103.82391	1.8
105.03402	3.6
105.07043	28.5
106.07355	6.6
107.04972	5.7
107.08596	25.1
108.08942	5.2
109.06526	4.1
109.10168	29.0
110.10486	4.0
111.08076	4.3
111.77400	1.9
112.50578	1.9
115.05508	3.6
117.07053	9.4
118.07344	2.2
119.08607	16.8
120.08913	5.3
121.06530	33.1
121.10129	9.6
122.06857	10.3
122.10463	4.4
123.07174	2.8
123.08080	2.4
123.11739	4.6
124.12011	2.4
125.09653	8.8
129.07030	6.3
130.07359	2.7
131.08565	12.5
132.08931	5.1
133.06607	2.0
133.10132	13.5
134.10468	5.7
135.04497	3.8
135.08072	3.7
135.11696	17.4
136.12048	3.1
137.13255	3.2
138.65605	2.1
141.05458	6.4
141.07047	2.7
143.08563	4.0
144.09053	2.1
145.06474	3.2
145.10173	9.5
146.10500	3.6
147.04477	2.4
147.08058	2.2
147.11687	5.4
148.12019	2.5
149.05995	8.5
149.09676	3.4
149.13274	3.2
150.06375	4.3
151.03944	7.1
151.07639	2.4
153.05524	2.5
155.08559	4.7
157.10130	4.3
158.10529	3.3
159.08157	2.3
159.11684	8.3
160.12032	2.8
161.06023	3.4
161.09596	2.5
161.13309	4.4
162.13612	2.1
163.03773	2.6
165.05495	2.2
169.10135	3.6
171.08127	3.5
171.11656	2.2
172.12079	2.8
173.05992	2.4
173.13295	6.1
175.03949	3.1
175.14830	2.8
177.05496	68.3
178.05840	40.5
179.05940	14.9
179.08539	3.0
182.10919	2.2
183.08394	2.2
183.11813	2.2
185.13161	2.1
187.03868	2.0
187.07584	5.7
187.14853	2.7
189.05528	4.7
189.09111	2.7
189.11299	3.0
193.10147	3.1
193.12186	2.4
194.12582	3.2
194.75479	2.3
195.08182	4.2
201.09189	2.3
203.07060	22.6
203.10672	1.9
205.04990	75.0
206.05315	54.9
207.05492	24.1
207.07407	2.2
207.08092	1.9
209.09712	2.2
210.10133	2.0
211.07529	2.1
215.07059	4.6
223.07608	2.6
227.07211	3.1
227.10648	2.7
227.12735	4.3
228.13098	3.0
229.08554	3.5
237.09201	3.9
241.08720	2.5
243.10182	7.1
243.13803	2.4
245.07872	2.6
248.08315	2.3
249.09126	3.2
251.06981	2.4
251.10805	2.4
253.08746	3.8
253.12329	2.2
255.06328	2.3
255.10258	3.1
257.07962	2.0
261.09064	2.4
262.22635	2.4
263.10785	5.2
265.08679	3.0
267.07352	3.1
267.10110	20.1
267.15958	7.2
268.10529	23.8
268.16208	5.3
269.08093	3.2
269.10770	19.4
269.16486	3.2
271.09717	3.5
273.08798	2.1
275.06873	2.5
275.10614	2.1
277.08624	6.8
277.12170	2.7
279.10178	2.8
285.11166	3.9
286.11664	6.4
287.11758	6.1
289.12234	2.4
291.06891	2.5
291.10205	10.0
293.12015	2.6
295.05966	3.7
295.09637	2.5
297.03903	6.0
299.09219	4.3
301.25235	2.6
302.25723	5.5
303.25851	4.1
305.08206	3.4
305.11826	3.5
307.09976	2.8
307.13351	6.7
309.07376	3.3
311.05524	6.4
312.06189	15.7
315.10062	3.1
319.06091	2.2
319.09744	5.9
321.07758	2.8
321.11292	7.6
323.12701	5.3
323.16406	8.8
324.16742	8.7
325.17065	13.1
333.07611	4.8
333.11185	3.7
335.12766	10.5
335.25952	3.1
337.26733	3.2
343.08124	23.2
347.09103	12.9
347.12756	2.8
348.09912	5.2
349.10696	7.1
351.12329	15.2
361.10669	7.3
361.21552	2.7
379.11816	67.7
381.13269	4.6
389.21368	2.6
393.13373	3.4
411.14545	21.6
413.12814	2.0
437.33313	3.6
440.12204	7.9
441.12405	24.0
447.18259	3.6
455.34134	5.7
473.15091	3.9
473.35187	5.0
500.51840	2.0
513.22900	5.8
515.23920	7.9
528.37225	3.8
529.21155	21.5
529.38086	28.4
546.38617	7.6
547.26593	34.1
547.38977	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	547.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.05522	1.3
55.66607	0.6
61.38663	0.7
63.98163	0.5
65.03944	1.0
66.21958	0.5
67.05506	4.3
69.07076	3.2
71.07833	1.4
73.06591	0.8
79.05505	3.5
81.03403	2.2
81.07065	3.7
81.72878	0.7
83.08635	0.9
85.02888	1.0
91.05481	5.3
93.07051	5.8
95.01299	1.4
95.04525	0.6
95.04988	5.6
95.08618	1.8
97.06513	0.6
99.08081	1.2
101.05995	0.6
105.07017	3.0
107.04960	0.9
107.08574	4.3
109.06514	3.5
109.10162	5.7
111.04428	2.5
115.05460	1.8
116.06209	0.7
117.07040	1.7
119.04914	1.2
119.08584	2.9
121.02930	0.7
121.06549	1.5
121.10154	1.3
123.04399	1.3
123.08093	0.7
125.05986	3.4
128.06226	1.9
129.07021	4.1
131.04967	1.0
131.08595	1.8
133.02873	1.1
133.06488	2.1
133.10152	1.9
135.04424	0.8
135.08069	1.5
135.11665	3.8
137.05988	1.3
139.07582	0.8
141.05478	2.1
141.06998	1.9
143.04950	0.9
143.07054	0.8
143.08553	2.2
144.05739	1.0
145.06470	6.3
145.10077	1.2
147.04411	2.7
147.08052	6.6
149.02330	2.8
149.09634	1.0
151.03877	1.6
153.05434	1.3
153.06911	1.1
155.07022	3.7
155.08507	1.4
156.09383	1.1
157.06479	1.6
157.10124	0.9
158.07254	1.0
159.08066	2.4
159.11682	1.1
160.05206	1.8
161.02365	9.9
161.05986	27.7
161.09708	0.7
163.03889	1.5
165.06978	1.0
167.03412	1.1
167.07173	0.7
167.08543	1.5
168.09253	0.6
169.05026	0.8
169.06512	1.8
169.10143	1.3
171.04468	1.1
171.08058	2.2
171.11655	0.8
172.08850	0.7
173.06003	5.1
173.09659	1.1
174.06732	0.7
175.03893	2.2
175.07518	5.5
175.11238	1.0
177.09090	0.7
179.08559	1.0
182.07291	1.2
183.08087	1.9
185.05948	6.1
185.09659	1.7
187.07492	1.8
187.11171	1.8
188.04665	0.8
189.09145	1.5
189.12816	0.8
191.07016	1.6
191.10585	0.8
193.10172	1.2
195.08073	2.2
196.08775	0.8
197.06004	1.8
197.09604	2.0
198.06808	0.9
198.10339	1.1
199.07529	1.1
199.11174	1.9
201.05508	3.2
201.09125	1.5
201.12718	1.2
203.07034	100.0
204.07335	1.1
208.08720	0.9
209.09590	1.6
211.07552	1.9
211.11276	3.4
212.08376	1.3
213.09134	1.7
213.12663	0.9
215.10680	4.6
217.08502	0.8
217.12167	1.1
223.07562	1.5
223.11124	1.1
225.09027	1.6
227.10622	2.6
229.04993	0.8
229.08571	1.6
229.12224	17.2
235.13167	0.7
237.09248	1.2
239.06989	1.1
239.10658	0.9
243.10144	3.9
245.15475	1.1
246.10172	0.7
251.06897	1.2
253.12315	0.7
255.10115	2.2
257.08054	1.9
257.11685	0.8
258.12503	2.2
259.13470	0.8
259.17267	0.7
261.12662	1.0
265.08566	1.2
269.08148	1.4
269.11673	0.8
271.09613	3.2
271.13223	1.9
277.17999	2.0
279.13794	1.2
283.09607	1.4
291.10114	0.9
293.15250	1.6
298.43484	0.7
303.12210	4.2
309.11340	1.1
311.16333	3.8
313.17685	0.7
315.12384	4.0
319.13245	2.3
321.14816	3.1
327.19571	14.9
331.13297	1.1
339.15836	5.1
343.18921	1.1
349.14514	0.9
353.17535	8.1
371.18585	5.6
379.11517	0.8
391.19077	0.8
393.13358	0.8
411.14426	9.9
497.23053	1.9
529.25873	1.0
547.26764	4.1
547.40112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23602	4.2
70.23994	4.1
70.91522	2.0
81.07059	3.7
91.05479	6.9
93.07033	9.3
105.07042	4.6
107.08584	4.4
109.06499	2.5
119.04910	3.8
121.06496	10.8
131.08572	2.7
135.04436	2.5
135.11671	2.3
141.06967	3.2
144.55170	2.1
147.04399	7.8
147.08046	3.7
149.02278	3.1
149.05988	5.8
151.07582	18.6
159.08072	3.2
161.02353	6.1
161.05960	3.8
163.07565	4.0
164.04692	2.4
167.07085	12.5
169.09946	2.1
175.07576	3.6
177.05505	16.0
179.07056	20.7
185.05968	3.0
187.03911	4.7
189.09113	6.5
191.05635	1.3
191.07036	58.3
192.07825	100.0
195.11719	2.8
201.09084	7.8
203.07034	60.6
207.06543	12.2
209.08182	6.2
211.07588	3.7
213.09084	9.9
225.09206	2.7
225.95261	2.0
229.08620	15.1
232.14529	2.1
241.08704	3.2
243.10248	14.5
269.08011	2.7
313.18240	3.2
321.11267	6.2
323.12723	4.8
339.15869	8.0
349.10748	6.4
351.12427	3.3
356.38467	2.1
365.14005	3.6
367.15503	34.3
381.13278	6.8
393.13019	3.1
411.14441	37.7
446.58298	2.5
483.21649	3.0
515.24481	5.0
547.39532	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	547.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.5
55.01866	3.1
55.05510	3.6
67.05506	16.9
69.07072	7.4
69.58652	4.2
69.59055	14.8
73.06573	4.2
79.05498	7.2
81.03414	3.4
81.07050	7.6
91.05489	13.2
93.07053	27.5
95.04980	8.9
105.07018	12.2
107.08586	14.8
109.06542	5.9
109.10165	26.8
119.04949	2.6
119.08586	4.7
121.06494	8.1
129.07007	5.2
131.08582	3.1
133.10205	6.2
135.08087	4.6
135.11703	29.1
136.05127	2.6
139.07507	3.2
141.06973	4.1
142.07681	2.6
143.08568	6.0
147.04417	3.4
147.08061	5.2
147.11642	3.5
149.02339	3.7
149.05923	2.7
151.07581	7.9
154.07779	4.1
159.08052	5.5
159.70343	3.0
161.02370	8.3
161.05983	6.3
163.07562	4.2
164.04553	3.8
164.64722	2.5
167.07062	6.6
167.08372	3.4
175.07553	5.0
177.05473	11.0
179.07047	7.3
181.06390	4.0
185.13300	5.5
186.50424	2.8
187.03882	5.8
189.05440	3.0
189.09164	7.7
191.07063	27.2
192.07837	36.7
195.08113	3.3
197.09639	6.4
201.05606	3.4
201.09113	6.4
203.07053	100.0
203.10632	3.4
207.06474	4.8
209.08032	5.9
211.07584	4.4
211.11119	3.7
213.09135	8.7
224.08012	3.5
225.09042	5.5
227.07063	5.9
227.14305	3.2
229.08476	6.0
237.12860	2.7
239.10648	3.0
241.08568	3.3
243.10164	35.8
250.29839	2.6
253.08464	3.0
253.15863	9.6
255.13937	4.8
259.09665	3.0
281.15372	8.6
285.18384	4.0
287.16653	3.8
295.16925	4.3
313.18042	10.8
339.16187	3.7
367.15448	11.8
379.33652	2.8
381.13351	3.9
400.16638	3.1
411.14410	19.4
415.15707	5.6
447.17743	4.9
455.22446	4.0
483.21567	7.7
487.24771	3.4
497.23557	6.3
515.24384	22.4
547.26581	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	547.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88005	1.5
53.03955	2.4
55.01881	1.9
55.05515	2.6
59.04998	1.8
63.48336	1.4
65.03951	2.0
67.05484	8.4
69.03430	3.6
69.07063	4.0
69.69738	9.7
71.05004	8.5
71.41512	1.5
71.80482	1.4
73.06564	31.6
75.04481	1.8
79.05479	5.1
81.03412	3.6
81.07053	9.5
87.88611	1.6
91.05495	10.6
93.07039	6.9
95.04958	2.4
95.08604	4.6
97.06513	2.7
98.21384	2.7
99.04449	5.4
103.05449	1.9
105.07043	10.1
107.08586	6.8
109.06516	3.3
109.10176	7.0
115.05451	3.9
117.06995	3.2
119.08602	4.6
121.06538	3.0
121.10122	3.0
123.04449	2.1
123.08101	8.2
123.09892	1.5
128.06242	2.0
129.07005	5.9
131.04921	2.7
131.08568	5.7
133.06473	2.7
133.10135	4.6
135.08052	4.4
135.11714	3.2
141.06992	4.2
142.07790	2.7
143.08551	5.0
144.05661	1.7
145.06490	6.1
145.10144	3.6
147.04396	1.9
147.08072	6.5
147.10544	1.7
147.11702	4.9
149.02299	3.1
151.07550	3.6
155.08533	3.6
156.09357	2.3
157.06480	2.9
157.10094	5.1
159.08070	4.7
159.11710	12.1
161.02353	6.2
161.05959	8.1
163.07562	4.0
165.06976	3.5
167.03383	1.9
169.10109	3.2
171.08020	3.2
171.11751	2.3
173.05988	4.4
173.09665	2.3
174.10400	2.1
175.07558	5.0
175.11200	2.8
176.04704	2.5
177.05550	2.1
177.09038	2.0
178.06230	2.8
179.07007	2.9
179.08487	2.6
179.14333	3.5
181.06487	2.4
181.10110	2.1
182.07213	2.0
183.08022	3.2
183.11688	2.7
185.06003	4.6
185.09616	2.6
185.13260	2.2
187.03897	2.1
187.07593	2.9
188.08369	1.8
189.05511	5.1
189.09099	2.6
189.12788	18.3
190.06268	2.0
191.07040	9.4
191.14316	5.1
193.08582	3.2
193.10208	3.7
195.08047	4.0
195.11758	1.8
197.09602	5.0
198.06865	2.0
199.07544	2.5
200.04785	1.8
201.05569	1.7
201.09102	5.4
203.07031	100.0
203.14339	1.6
204.07622	1.6
205.08553	3.8
206.05763	3.5
211.07545	3.4
213.09081	4.7
213.12727	5.4
215.10695	4.1
217.12178	2.0
223.11237	2.9
225.09096	6.0
227.10612	2.5
229.08597	6.7
231.10240	2.7
234.05132	2.3
235.14757	2.0
239.10744	2.7
241.08611	4.0
241.12170	4.7
243.10181	33.6
247.09689	1.9
253.12299	2.0
253.15895	14.4
255.13879	4.2
257.11755	2.3
261.88019	2.0
263.14240	5.2
269.08215	2.0
271.09769	1.8
273.14944	6.1
281.15350	11.8
285.18430	3.5
295.16989	3.8
299.09073	3.5
313.17987	12.8
369.13525	2.3
395.15060	2.3
407.14972	3.6
421.16382	3.0
425.15906	13.0
443.18576	5.3
447.18225	2.5
455.22116	4.5
459.17838	3.6
465.20114	3.3
483.21771	24.5
487.24783	2.5
497.23154	5.3
515.24316	30.1
547.27008	10.3
547.39154	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	547.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.3
56.16981	1.2
57.55326	1.0
66.75616	1.2
67.05489	3.0
67.37898	1.2
69.03405	1.5
69.07074	3.2
71.27379	2.1
73.06563	2.3
79.05508	2.3
81.03428	1.4
81.07059	2.1
91.05487	3.3
93.07018	5.7
95.04978	9.4
95.08579	1.3
99.04461	1.4
105.07042	2.6
107.04936	1.7
107.08611	3.0
109.06538	1.6
109.10154	2.4
117.07005	2.9
119.08583	2.5
119.37633	1.1
121.06503	2.0
121.10154	1.5
129.07028	3.2
131.08597	2.3
135.11700	6.3
141.07039	1.8
143.08524	1.3
145.06493	2.4
147.08047	3.7
153.06972	1.8
155.08614	2.2
157.06519	2.0
159.08041	1.8
159.11702	1.9
161.02403	5.6
161.05988	5.6
165.06984	1.3
169.10216	2.5
171.08022	2.2
171.11662	1.7
173.09631	1.4
175.07500	1.7
181.06534	4.0
182.07256	1.3
183.08047	2.4
185.06006	2.8
185.09619	1.3
187.03897	1.8
187.07570	4.5
189.09206	1.9
191.07060	4.3
192.07845	4.6
195.08188	2.1
197.09541	2.2
199.07632	2.0
203.07028	100.0
203.14369	1.8
205.10289	1.6
209.13423	1.3
211.07564	3.7
211.11247	1.4
212.08389	1.4
213.09079	3.3
213.12709	1.4
217.51001	1.4
225.09067	2.1
227.06967	1.8
227.14388	3.2
229.08597	3.0
231.10075	1.5
237.12730	1.3
241.12230	1.4
243.10164	14.1
253.15904	4.8
255.13872	3.9
263.14276	2.6
264.15140	2.4
269.08035	2.1
281.15375	11.2
285.18658	2.2
295.99020	1.3
296.82034	1.3
297.11292	4.9
307.13135	1.5
311.09018	1.6
313.14755	1.7
313.17886	7.0
323.09109	2.5
323.24634	1.1
325.10626	6.9
367.15726	1.6
383.12973	1.6
413.13980	1.5
455.22122	3.7
465.20322	2.1
483.21613	9.8
487.24649	1.9
497.22943	1.8
515.24304	34.6
547.26935	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	547.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10167	1.4
55.01878	2.5
55.05515	6.5
64.48724	1.7
67.05502	5.3
69.07069	5.5
69.35567	14.9
71.05652	1.6
73.06558	5.1
79.05494	7.3
81.07058	3.4
83.08615	2.2
91.05509	2.7
93.07063	6.1
95.01321	3.2
95.04987	3.2
95.08609	3.3
98.21494	2.9
99.08125	1.6
105.07029	4.1
107.04946	2.2
107.08607	5.0
109.06528	5.3
109.10143	3.8
116.67847	1.5
117.07054	2.9
119.04954	1.8
119.08627	2.2
121.06515	1.9
121.10163	1.6
128.06244	2.0
129.07045	3.8
131.08588	1.9
133.06512	2.2
135.08083	2.1
135.11754	3.0
141.06958	3.0
143.08575	4.0
145.06508	4.2
145.10139	1.7
147.08015	4.8
149.02354	2.2
153.07027	2.7
155.08533	3.8
157.06490	3.1
157.10132	2.4
158.07306	3.5
159.08084	3.7
160.05205	2.4
161.02325	8.9
161.06050	11.3
163.07527	2.5
165.06982	3.1
167.08553	3.6
169.06448	2.0
171.08069	5.3
171.11737	1.8
173.06023	4.6
173.09624	2.3
175.03946	2.7
175.07602	5.1
177.05502	1.8
179.08571	2.7
181.06487	28.1
183.08060	5.3
185.05983	4.6
185.09650	3.1
185.13229	1.8
187.03853	4.1
187.07555	10.1
187.10876	2.2
189.05525	4.3
189.09053	4.1
191.07053	5.1
194.07285	2.9
195.07986	9.7
197.09633	7.6
198.06709	1.8
199.07617	6.5
201.05440	2.4
201.09065	4.8
203.07050	100.0
207.08092	3.2
208.08954	4.0
209.09828	3.0
211.07544	8.5
211.11179	2.5
212.12042	5.8
213.09081	8.6
215.10674	1.9
225.09084	9.1
227.07036	4.4
227.14320	22.3
229.08629	7.0
229.12273	3.3
239.10698	2.2
241.08624	2.7
241.12271	2.2
243.10184	31.0
245.11705	2.2
245.15366	4.1
249.12755	2.8
251.07086	3.0
251.14365	5.0
253.15916	5.2
255.13821	8.1
257.08197	1.8
259.09613	2.0
263.14285	9.7
264.15112	18.0
269.08148	3.5
271.13571	1.7
273.14832	1.8
277.18219	2.1
281.15363	9.2
293.15173	1.8
295.16888	3.2
311.16415	3.4
313.18060	7.5
321.14899	3.7
327.19342	1.9
339.16092	2.1
375.12344	2.0
395.12817	2.7
415.15277	3.3
419.15170	4.3
427.15689	3.1
430.72021	1.6
433.16248	2.3
445.16574	2.7
447.17990	5.8
465.20691	3.2
469.24020	3.0
483.21796	15.9
485.23242	2.6
487.24359	2.2
497.23129	4.9
515.24377	23.4
547.27222	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	547.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.0
58.44239	1.3
66.91679	1.3
67.05506	4.1
68.64559	1.2
69.07062	3.3
69.36217	12.1
79.05494	3.6
81.03407	2.5
81.07056	4.6
91.05495	4.4
93.07047	4.1
95.04980	6.6
95.06678	1.6
95.08628	2.5
104.91285	1.6
105.07046	4.1
107.08597	4.3
109.06532	3.7
109.10154	3.6
111.04415	1.8
115.05473	2.1
117.07049	1.8
119.08578	3.7
121.06561	1.9
121.10139	1.6
121.34221	1.5
123.04515	1.8
125.05995	3.4
128.06194	1.8
129.07051	3.0
131.08568	1.8
133.06519	2.5
135.11696	4.4
141.07057	2.1
143.08647	1.7
145.06487	4.3
145.10103	2.5
147.04417	2.2
147.08057	5.0
149.02379	2.6
153.06972	1.6
154.07887	1.4
155.07060	2.6
155.08562	1.5
157.06519	2.1
157.10167	1.6
159.08084	4.3
161.02365	7.7
161.06004	19.6
163.03905	2.0
167.03340	1.6
167.08647	1.8
171.08018	3.7
173.05998	5.9
175.03979	1.5
175.07573	4.1
179.08496	1.8
181.06503	5.4
183.08026	3.3
183.11629	1.8
185.06021	6.0
187.03862	3.0
187.07553	3.3
187.11179	1.7
189.09154	2.1
191.07013	2.7
195.08095	3.9
196.08914	1.6
197.05930	2.3
197.09669	3.2
199.07535	1.9
201.09061	2.1
203.07043	100.0
211.07661	3.8
211.11121	3.3
213.09113	3.6
213.12679	1.7
215.10635	1.9
227.10637	2.3
227.14297	6.3
229.08678	2.9
229.12262	12.0
231.10565	1.4
237.09152	1.7
243.10201	8.8
245.15395	2.8
251.10754	1.5
255.10159	2.3
255.13722	3.2
263.14606	1.4
264.15103	2.7
269.07974	2.4
271.09683	2.5
271.13333	3.2
277.17990	2.3
282.14026	1.3
295.16833	1.6
303.12296	2.5
311.16266	3.3
313.17969	2.7
315.12292	5.1
321.14926	5.1
327.19464	6.6
339.15897	3.7
353.17566	5.7
371.18533	4.8
401.13531	1.7
469.23663	3.3
479.80222	1.5
483.21512	4.2
485.23206	1.9
497.23032	2.0
515.24200	13.2
547.26733	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	547.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69923	0.7
53.28571	0.7
55.01865	1.5
55.05499	1.4
61.22690	0.8
65.03932	0.7
67.05512	4.9
69.07075	4.2
69.86268	4.3
69.86557	1.3
78.80297	0.7
79.05504	2.6
79.61228	0.8
81.03405	2.1
81.07081	3.7
85.02895	0.9
91.05484	6.2
93.07068	5.3
95.01316	1.4
95.04971	5.2
95.08630	1.8
97.06515	0.8
98.21443	0.9
101.06034	1.7
105.07021	5.0
107.04921	0.8
107.08586	2.6
109.06521	3.6
109.10164	7.0
111.04429	3.2
115.05461	1.7
117.06989	1.9
117.71051	0.7
119.04946	0.7
119.08590	3.2
121.06493	2.4
123.04418	1.3
123.07986	0.9
125.05994	2.2
128.06244	1.9
129.06996	3.5
131.08577	1.2
133.02856	1.2
133.06493	1.8
133.10123	1.5
135.04475	1.4
135.08037	1.4
135.11708	2.8
137.05952	1.4
138.99734	0.8
139.45576	0.7
141.05444	1.6
141.06946	1.9
142.07803	1.0
143.07033	1.5
143.08575	2.1
145.06482	5.8
147.04401	1.8
147.08058	6.1
149.02319	3.0
151.03934	1.2
153.05399	1.3
153.06970	1.4
154.07892	0.9
155.07031	5.0
155.08443	1.7
157.06487	2.2
157.10159	1.8
158.07301	1.1
159.08014	2.3
160.05194	1.9
160.56920	0.8
161.02362	8.3
161.06003	22.7
161.09586	1.5
163.03871	1.2
165.07036	1.3
167.03368	1.4
167.07169	0.8
167.08568	1.4
169.05019	1.6
169.06438	1.4
169.10121	1.2
171.08035	2.4
173.06009	6.1
175.03877	1.7
175.07553	5.2
177.09152	0.9
177.52336	0.8
181.06493	1.1
183.08093	2.5
184.08719	1.0
185.06021	5.1
185.13275	1.0
187.03859	1.6
187.07570	2.4
187.11137	1.4
189.09036	1.7
191.07072	1.5
195.08083	1.8
195.11655	0.8
196.08885	1.4
197.06087	1.5
197.09631	1.9
199.11169	1.3
200.08388	0.8
201.05461	2.3
201.09093	1.2
201.12865	2.0
203.07050	100.0
209.09715	1.3
211.07579	3.0
211.11263	2.1
213.09154	0.9
213.12761	1.5
215.10762	3.7
223.07649	1.4
223.13351	0.9
225.09038	1.5
227.07176	1.0
227.10687	3.2
229.08687	1.3
229.12250	17.2
239.07114	1.4
241.08582	1.3
243.10172	3.3
245.15358	2.0
255.10135	2.4
257.08249	0.8
257.11603	1.0
258.12518	1.8
259.13361	0.9
265.08609	1.2
269.08014	1.4
269.70993	0.8
271.09668	3.5
271.13245	1.4
277.17972	2.6
283.09521	1.5
297.11194	1.5
303.12097	3.7
309.14963	0.9
311.16373	3.3
315.12360	5.3
319.13287	1.7
321.14874	4.0
327.19553	14.0
329.70337	0.9
339.15955	4.9
353.17624	6.5
371.18674	5.9
529.25806	1.6
547.26813	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	547.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57542	2.3
50.57837	2.2
55.01875	2.6
55.05510	3.7
67.05494	6.7
69.03425	2.9
69.07072	11.3
69.41703	20.5
73.06565	4.2
76.33769	2.2
79.05499	12.9
81.07066	11.9
81.41068	2.2
86.77309	2.4
91.05470	14.4
93.07043	16.0
95.04953	6.7
95.08618	2.8
97.18671	2.7
103.05462	2.4
105.07044	12.1
107.04997	3.4
107.08619	11.9
109.06498	4.6
109.10154	7.7
110.01640	2.4
117.06989	3.1
119.08591	4.2
121.06518	7.5
121.10156	3.6
128.06253	3.4
129.06995	6.3
129.67500	2.4
131.08623	5.0
133.10126	8.6
135.08061	5.5
135.11700	11.7
141.07056	3.4
143.08594	5.5
145.06450	5.5
145.10144	3.1
147.08037	7.8
149.02347	3.1
149.05981	5.4
151.07570	8.3
153.05542	2.4
153.07031	3.2
155.08562	4.7
157.06450	2.9
157.10181	4.9
158.07285	3.3
159.08107	7.0
161.02377	11.3
161.05983	6.3
163.07578	6.1
165.07010	5.0
167.07124	3.0
167.08511	5.3
169.10201	3.7
171.08118	6.6
173.05951	3.6
175.07555	5.0
177.05463	6.1
177.09175	4.1
179.07069	4.2
179.08545	5.1
181.06529	6.0
183.08101	5.4
185.05997	5.1
185.09659	3.4
187.03955	4.6
187.07503	6.3
189.05464	3.6
189.09123	6.9
191.07010	16.3
191.08549	2.8
192.07837	21.9
195.08011	5.9
197.09641	9.0
198.06830	2.8
199.07588	2.5
201.09177	4.8
203.07045	100.0
207.06467	4.1
207.08185	3.3
211.07545	5.5
212.11885	3.0
213.09140	12.0
213.12857	3.5
221.09813	2.8
223.11200	5.1
225.09076	9.8
225.52287	2.8
227.07123	4.1
227.14316	13.0
229.08583	6.6
229.12306	4.7
237.12848	4.3
238.09756	2.6
241.08598	4.8
241.12372	3.2
243.10184	42.2
245.15453	8.0
253.15898	11.4
255.13821	10.3
257.11914	2.9
263.14316	4.6
264.15070	3.7
268.03363	2.6
268.24924	2.7
271.13391	2.8
281.15372	8.1
285.18475	7.0
295.16739	4.3
313.17944	11.4
321.15161	3.3
339.15878	4.4
367.15247	8.4
381.13171	2.9
395.14920	5.0
411.14575	10.6
442.30640	2.5
455.22409	3.5
465.20529	6.7
483.21414	18.0
487.24728	11.7
497.22916	7.5
515.24316	42.8
547.26569	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	547.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
56.16886	0.6
57.03407	2.0
61.02933	2.8
65.03919	1.3
68.99798	0.6
69.03401	1.2
69.38547	4.3
70.06558	2.1
71.01331	0.5
71.83465	0.5
72.08144	0.8
73.02882	0.6
76.22646	0.5
79.05484	0.7
81.03384	2.1
81.07049	0.5
83.04943	0.5
84.08128	0.8
85.02905	6.1
91.05459	1.7
93.03368	1.5
95.04951	0.8
95.08611	0.5
97.02853	2.3
102.05518	1.3
103.03848	0.6
105.06994	0.9
107.04972	3.6
107.08508	0.6
109.02879	2.7
109.03481	0.5
114.09111	0.6
117.03358	0.7
119.04208	0.8
119.04948	10.1
121.02869	39.5
121.03819	1.3
121.06472	1.1
123.04446	0.5
127.03862	1.7
128.29016	0.6
131.04900	1.4
133.02795	0.8
133.06494	1.2
135.04391	1.4
135.08003	0.9
137.02342	0.5
137.05891	0.7
142.08607	1.4
145.02867	4.1
145.06499	0.9
147.04370	2.1
149.05981	0.7
151.29132	0.5
157.06398	0.7
159.04434	1.9
161.02345	1.6
163.03882	2.1
165.01868	1.3
169.06381	1.0
171.04523	0.6
173.05962	1.2
175.03894	2.1
177.01810	5.7
177.05426	3.2
179.03360	2.4
185.05991	1.0
187.03862	3.0
189.01814	8.4
189.05473	1.7
190.02551	1.4
191.03375	3.4
195.02910	7.6
197.05965	1.1
199.03926	2.4
201.01811	1.4
201.05484	2.9
203.03415	19.3
204.04156	0.9
205.04973	2.9
207.02887	7.7
209.04352	0.7
211.03893	1.8
213.05411	2.2
215.03380	7.2
217.01370	1.0
217.04930	4.8
219.02867	1.9
219.06430	1.7
221.04443	3.2
223.13226	1.0
225.05484	1.8
227.03450	3.3
228.04289	0.6
229.04956	5.0
231.02879	2.4
231.06477	1.5
233.04485	4.2
235.06068	0.8
237.05576	0.9
239.03409	2.2
239.07050	0.7
241.05020	2.8
243.02867	3.7
243.06512	1.3
245.04422	1.6
247.05959	1.0
251.07043	1.2
252.07901	1.0
253.04903	1.0
253.08475	0.5
254.05724	1.3
255.02878	3.4
255.06569	1.2
257.04456	1.9
261.04022	0.8
265.04916	0.7
266.05566	0.8
267.03052	1.1
267.06531	2.6
268.07306	3.3
269.04413	2.2
271.05966	0.9
273.03754	1.2
279.06454	5.7
280.07303	2.4
281.04910	0.7
281.08139	3.0
282.05185	0.9
283.05991	7.9
284.06787	1.1
285.03976	2.3
291.06573	1.6
292.07272	2.1
293.07993	6.8
294.05249	7.2
294.08817	2.0
295.06027	86.5
296.06705	6.6
297.04105	1.0
297.07529	7.1
304.07281	0.8
305.08017	3.4
306.08914	0.7
307.06021	50.0
307.09311	2.1
308.06799	20.3
308.10291	1.2
309.03992	1.6
309.07532	16.5
311.05377	1.4
313.06973	3.2
317.08136	3.9
318.08865	1.4
319.05969	3.3
319.09625	1.2
320.06662	5.5
321.07584	46.1
322.04721	1.4
322.08316	14.4
323.05469	3.1
323.09158	9.1
324.06189	0.8
325.07065	73.3
326.07330	1.1
329.08069	2.5
331.06021	1.1
331.09674	1.3
332.06726	1.2
333.07584	24.7
334.08340	1.6
335.05496	2.4
335.09134	17.2
336.06281	3.8
336.09805	1.5
337.07065	25.7
337.10620	1.2
339.05075	1.2
339.08752	1.5
343.09589	0.7
345.07553	3.7
346.08472	2.8
347.05331	1.1
347.09128	14.9
349.07056	46.6
349.10672	2.4
350.07782	2.3
351.08649	33.1
353.06323	1.0
355.08371	0.7
357.07614	2.8
359.09198	4.7
360.06146	1.0
361.07034	24.5
361.10400	1.2
362.07639	1.3
363.08621	10.6
365.06274	0.8
365.10275	9.5
367.08167	6.5
371.09125	1.4
373.06964	6.7
373.10931	0.8
374.07800	2.2
375.04132	0.9
375.08676	14.3
377.06558	1.2
377.10471	5.3
379.08142	100.0
380.08389	1.3
381.09827	1.7
383.09036	0.7
385.06924	5.0
387.08554	8.0
389.05957	1.1
389.10587	3.9
391.08075	22.1
393.09805	2.5
395.07562	0.8
397.09195	62.7
398.09708	0.9
399.08600	2.0
401.10489	3.6
403.08112	25.5
405.09683	10.3
407.07602	1.0
409.09192	30.3
411.08508	0.8
415.10312	15.6
417.09732	3.7
419.11523	3.9
421.09183	20.7
422.09915	0.8
423.10941	1.0
427.10138	7.8
429.09744	3.4
433.09244	23.4
437.12311	0.7
439.10315	18.9
445.09174	12.5
447.10840	1.6
451.10248	43.2
457.11310	36.3
458.11829	0.7
463.10236	6.4
465.11832	2.0
469.11328	49.6
470.11673	1.3
475.10321	12.9
481.11322	27.9
493.11325	30.7
499.12402	17.7
505.06747	0.9
511.12378	37.9
529.13440	40.5
530.13599	0.7
546.28845	0.8
547.14490	18.6
547.22382	1.2
547.30176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.9
57.03403	1.6
61.02926	2.7
65.03916	1.1
68.99774	0.8
69.03403	1.1
69.46072	2.5
70.06554	1.5
72.08134	0.9
73.02887	1.4
74.73902	0.4
77.03902	0.4
79.05474	0.5
81.03390	1.7
81.07011	0.5
83.01324	0.5
83.04964	0.4
85.02914	3.8
85.06543	0.6
91.05450	1.6
93.03397	1.3
94.05131	0.3
95.01337	0.4
95.04937	0.8
97.02856	1.4
103.03957	2.1
103.05422	0.9
105.03363	0.6
107.04960	2.9
109.02901	1.8
109.66589	0.4
111.04412	1.2
115.05465	0.5
119.04947	8.9
121.02870	39.3
121.03827	1.2
121.06469	1.4
127.03881	0.8
127.23089	0.4
131.04929	0.7
131.08501	0.4
133.06482	0.7
135.04434	2.0
137.02344	0.7
137.06000	0.4
141.01869	0.4
145.02852	5.8
145.06520	0.6
147.04446	1.9
149.02328	0.6
149.05954	1.0
151.03828	0.5
155.04852	0.5
159.04401	2.4
161.02330	1.3
161.05940	1.0
163.03894	1.9
165.01828	1.1
165.06918	0.4
169.06491	0.5
171.04434	1.9
173.02351	1.0
173.05939	1.0
175.03854	2.5
176.01044	0.9
177.01855	4.8
177.05444	1.0
179.03435	2.2
183.04395	0.9
185.05988	0.7
187.03894	3.5
189.01848	6.7
189.05452	1.9
190.02560	0.5
191.03410	3.6
193.04921	0.7
195.02925	7.2
197.05980	1.0
199.03920	2.9
199.07555	0.4
201.01785	1.1
201.05472	2.1
202.02606	1.1
203.03400	18.8
205.05008	2.1
207.02892	5.5
207.06473	0.6
209.04442	1.1
211.03851	1.1
213.01842	0.8
213.05460	1.4
215.03391	7.7
215.06917	0.7
217.01430	0.6
217.04962	7.0
219.02881	2.2
221.04434	4.4
225.05518	1.1
227.03432	3.0
227.06947	0.5
229.04919	1.9
231.02872	2.3
233.04443	3.7
239.03368	0.8
239.07059	0.6
241.04906	2.7
243.02888	3.9
243.06587	1.4
245.04373	3.2
248.55231	0.6
249.03967	0.8
251.06995	1.0
253.05061	0.9
254.05801	0.6
255.02933	2.5
255.06526	0.9
257.04440	1.4
261.03897	1.8
261.09177	0.6
265.04831	0.5
265.08554	0.7
266.05588	0.4
267.06512	1.6
268.07321	2.7
269.04385	1.2
269.07883	0.5
271.06119	1.2
273.03915	2.4
277.08701	1.2
279.06595	3.7
280.07251	1.6
281.04465	1.2
281.08060	2.2
282.05197	1.2
283.06000	5.2
284.06784	0.9
287.07248	0.4
289.08646	1.0
291.06448	1.6
292.07275	2.8
293.04828	0.6
293.08038	5.6
294.05298	6.8
294.08783	1.2
295.06024	66.4
296.06741	3.7
297.07565	6.1
299.05548	0.6
303.06601	0.8
304.07352	0.7
305.08096	3.5
306.09003	2.3
307.06030	38.4
307.09415	2.0
308.06766	14.5
309.03894	1.2
309.07510	13.3
311.05569	0.6
311.09042	0.6
313.07123	2.9
315.06665	0.4
317.08069	4.9
318.09033	0.9
319.06009	3.0
319.09515	0.9
320.06821	8.7
321.07578	45.1
322.04892	0.7
322.08331	8.1
323.05405	2.5
323.09183	6.2
325.07068	46.8
325.26663	0.4
326.07474	0.8
329.08075	4.0
331.06027	1.5
331.09552	0.8
332.06836	0.7
333.07584	24.3
334.08356	5.2
335.05490	2.1
335.09122	22.2
336.06232	3.9
337.07059	30.7
339.05106	0.8
339.08688	4.3
343.09848	0.5
344.06866	1.0
345.07568	16.4
346.08258	1.2
347.05423	0.8
347.09164	5.5
348.06287	1.8
349.07065	46.7
350.07730	1.3
351.08633	27.4
353.10147	0.5
355.08652	0.5
357.07672	1.1
358.08420	0.8
359.09067	3.3
361.07031	28.9
361.10703	2.5
362.07681	1.6
363.08621	26.3
364.09286	0.6
365.06393	0.8
365.10513	0.7
367.08075	6.2
371.09192	1.4
373.02283	0.9
373.06992	14.5
373.10776	1.2
375.08719	9.9
377.06015	0.7
377.10562	1.8
379.08124	65.9
380.08490	0.8
381.09680	0.9
385.08963	0.9
386.07870	0.7
387.08691	6.9
389.05927	0.7
389.10486	2.7
391.08130	55.7
392.08444	0.9
393.09549	1.9
397.09238	0.7
399.08752	3.1
401.10266	4.6
403.08112	9.8
405.09726	2.2
409.09192	78.1
410.09430	0.9
415.08090	8.7
417.09863	3.5
419.11514	0.6
421.09213	5.1
427.10275	100.0
428.10571	1.6
429.09750	2.6
433.09167	13.7
435.10678	1.4
439.10480	2.7
445.09195	8.3
447.10608	1.1
451.10110	1.0
457.09229	4.8
463.04156	0.8
463.10245	10.0
475.10306	8.4
481.11316	37.1
493.11304	17.2
493.18546	0.6
499.12381	18.9
511.12393	77.9
512.12689	0.9
529.13428	30.6
547.14410	8.2
547.22583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17692	0.3
70.81580	0.3
70.81945	0.9
91.06744	0.4
119.04914	0.3
123.00795	0.6
133.04811	0.3
133.06519	0.5
137.02354	0.4
151.00261	0.8
152.01054	1.6
161.05995	1.5
168.05661	0.4
183.08130	0.6
185.05995	0.3
188.94186	0.4
197.05954	0.4
210.06828	0.4
211.07539	0.6
213.05496	0.6
239.06993	2.6
241.04990	1.4
243.10133	1.2
252.04216	0.4
253.05112	0.5
255.06589	1.1
256.07416	2.8
269.04489	0.9
284.06808	42.1
285.07172	0.4
299.09161	100.0
300.09500	1.3
437.38464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.145
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.98525	0.2
57.96154	0.2
59.05006	0.2
68.99790	0.2
69.03429	0.2
70.33036	0.2
71.58249	0.2
74.28688	0.2
79.05457	0.2
81.03429	0.2
81.07061	0.3
85.02919	0.3
89.03957	0.2
91.05515	0.2
97.02913	0.2
105.44797	0.2
106.48399	0.2
107.04967	0.4
109.10107	0.2
119.08604	0.2
121.02828	0.2
123.00803	0.4
127.03886	0.3
128.06195	0.2
129.07011	2.1
134.03572	0.2
137.02354	1.8
137.05989	0.4
139.05450	0.6
141.07053	0.3
145.02863	0.3
148.05193	1.1
149.02322	0.3
157.06529	1.6
162.03148	0.8
163.03972	0.4
167.03415	2.1
167.04939	0.8
169.06491	0.3
177.05493	0.5
185.05997	5.2
195.04466	0.7
197.06023	0.6
199.03833	0.3
199.07603	0.4
201.05484	0.3
210.06764	0.8
213.05472	3.0
214.06253	0.2
223.03912	0.5
225.05484	0.9
227.07114	0.3
231.14853	0.3
235.94374	0.2
237.05466	7.0
238.06229	3.6
239.07019	0.4
241.04958	13.6
242.05754	0.3
243.06552	2.1
243.10159	1.3
252.04193	0.6
253.04929	1.6
254.05704	0.4
255.06512	4.8
256.07178	0.3
265.04950	4.9
266.05743	8.7
267.06537	2.0
268.07327	0.4
269.04456	14.4
270.04929	0.2
271.06320	0.3
271.09735	0.2
283.06027	13.0
284.06781	4.8
299.05542	72.1
299.09161	100.0
300.05844	1.0
300.09448	0.9
461.11072	0.4
517.67413	0.2
546.33356	1.0
547.10730	4.6
547.34454	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	547.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48277	0.1
65.64037	0.1
67.74670	0.1
68.99782	0.8
69.03402	0.2
69.21433	0.3
69.21831	1.3
75.72987	0.1
80.02992	0.1
81.03392	0.4
85.02877	0.4
87.00813	0.2
88.15504	0.1
89.03979	0.4
95.01317	0.3
99.04430	0.1
101.00450	0.1
103.05468	0.3
109.02858	0.4
111.00808	0.2
115.05441	0.2
115.88289	0.1
117.06969	0.2
123.00800	2.5
127.03896	0.5
129.06946	0.3
131.04935	1.6
145.02899	0.1
145.04994	0.2
145.06454	0.4
147.04329	0.2
149.02379	0.9
153.01787	0.3
157.02847	0.5
157.06480	0.6
169.06335	0.2
171.04404	0.5
173.06111	0.1
175.03935	0.2
185.05983	1.0
197.06001	0.3
199.03920	1.8
201.05455	0.2
213.03473	0.2
213.05473	3.3
215.07127	0.1
240.04146	0.2
241.04964	22.8
242.05249	0.3
243.06636	0.9
253.04976	0.4
269.04465	21.5
270.04822	0.3
271.06100	0.2
284.06821	0.3
285.07504	0.3
299.05515	100.0
300.05838	1.7
398.85944	0.2
461.10687	0.2
547.11182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1448
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
54.85213	0.2
58.33996	0.2
70.04354	1.0
103.76348	0.2
109.91778	0.2
119.61015	0.2
131.83600	0.2
132.05670	0.5
137.05959	0.5
139.03964	0.5
150.16663	0.2
166.02657	0.6
182.07239	0.4
183.08080	0.9
184.03732	1.4
196.05165	0.6
197.05969	0.4
210.06770	0.6
211.07520	1.2
213.05405	0.2
227.07043	0.8
228.07814	0.5
239.07001	2.1
241.04994	0.7
243.10182	3.6
255.06508	0.5
256.07300	5.5
267.06561	0.4
283.06177	1.2
284.06808	13.0
289.24210	0.2
299.09155	100.0
300.09451	0.7
325.01813	0.2
332.01831	0.2
396.47324	0.2
515.57025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86071	0.1
55.05509	0.1
57.20446	0.1
58.12244	0.1
69.03436	0.1
70.20996	0.6
81.03426	0.2
81.07053	0.2
85.02900	0.3
89.03963	0.4
91.05483	0.7
97.02850	0.2
105.01956	0.1
105.07043	0.5
107.04960	0.2
107.08618	0.2
115.05478	0.3
121.02927	0.2
121.10177	0.1
123.00816	0.3
125.88171	0.1
128.06226	0.3
129.07008	2.4
133.56673	0.1
137.02333	0.2
137.06000	0.2
139.05428	0.7
141.06972	0.3
147.04396	0.2
151.00351	0.2
151.36740	0.1
152.01018	0.3
157.06508	1.9
167.04907	0.8
169.06512	0.3
177.05426	0.2
185.05998	6.0
185.07663	0.3
195.04453	1.1
197.06004	0.3
201.05518	0.2
213.05495	3.1
223.03925	0.3
225.05470	0.6
241.04971	15.4
243.06541	2.6
253.04948	0.8
269.04474	15.1
270.04910	0.2
271.05954	0.2
281.04428	0.2
284.06833	0.3
285.07828	0.2
297.11465	0.2
299.05524	100.0
300.05795	1.2
352.79190	0.2
366.84924	0.2
391.11230	0.2
403.11691	0.2
445.23730	0.2
546.33264	0.5
547.10760	0.2
547.21100	0.2
547.34772	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	546.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.1
55.01867	3.4
55.05513	23.2
57.03437	7.2
57.07072	5.7
59.04980	3.0
65.80103	2.3
67.03547	2.2
67.05509	81.8
68.05853	3.1
69.03438	3.1
69.07076	17.0
69.35987	9.3
69.36399	8.8
71.04994	3.4
75.04442	2.4
79.05063	4.4
79.05503	52.7
80.05808	4.0
81.03410	5.8
81.07063	100.0
82.07403	4.4
83.04958	3.2
83.08621	10.7
85.02898	5.4
85.06526	3.1
91.05487	43.7
92.05856	2.7
93.07053	76.6
94.07391	3.8
95.01353	5.8
95.04968	8.0
95.08614	66.9
96.08926	2.9
97.06538	5.8
97.10162	9.6
98.20750	3.6
103.05470	2.9
105.04482	2.6
105.07045	30.7
106.07383	3.7
107.03754	2.4
107.08600	46.9
108.08900	4.4
109.06544	5.4
109.10164	41.2
111.08106	4.4
111.11780	2.4
117.07027	12.0
119.08582	22.8
120.08920	2.3
121.10147	38.2
123.08090	3.6
123.11737	21.6
125.09626	5.3
131.08585	25.3
132.08870	2.2
133.10153	23.1
135.11700	39.5
136.12024	3.8
137.09668	2.7
137.13231	7.6
141.01807	5.8
141.06920	3.0
143.08620	2.7
145.06491	3.4
145.10129	18.0
147.04532	2.1
147.11736	13.0
149.02448	2.5
149.13277	25.2
151.11288	2.6
151.14859	3.3
159.08022	2.9
159.11740	17.5
160.05199	3.1
161.13300	14.0
163.14813	15.8
165.12784	3.5
167.03378	2.9
171.11737	2.6
173.13364	13.7
175.07549	13.0
175.14845	4.8
177.16418	5.3
185.09546	3.8
187.14827	10.3
201.16525	5.8
203.07042	21.3
204.07353	6.5
211.11195	3.3
213.09148	2.8
225.09320	2.5
229.08549	3.0
233.22830	3.9
235.27933	2.7
243.10147	5.7
243.21121	29.5
244.21573	3.4
245.08168	5.1
257.08112	3.5
261.19391	5.0
261.22174	95.6
267.16205	2.8
269.08124	4.4
279.23306	5.6
335.25885	26.0
336.26419	2.8
353.26807	22.2
395.78030	2.4
454.34363	3.3
472.35498	2.8
481.11035	2.6
528.37787	11.1
546.38892	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	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01869	6.3
55.05264	2.4
55.05515	42.4
57.02874	1.9
57.03439	10.2
57.07056	3.2
59.04995	3.0
65.03938	2.8
67.05511	81.9
69.03429	5.0
69.07072	22.3
69.82008	10.4
71.04984	4.9
71.08624	3.1
79.05500	50.0
81.03420	31.6
81.07063	71.4
81.92722	1.9
83.04980	5.4
83.08622	23.8
83.50923	2.0
85.06525	2.4
91.04965	3.5
91.05488	46.7
93.06462	3.4
93.07047	49.8
95.04975	24.8
95.08048	4.0
95.08614	46.1
97.06541	6.0
97.10178	27.9
97.85129	2.2
105.06383	3.1
105.07037	41.7
107.04963	8.4
107.08601	32.5
109.06513	6.2
109.10163	31.7
111.08079	4.7
117.07045	12.9
119.08593	37.4
121.06504	12.7
121.10159	20.9
123.08054	5.6
123.11677	10.0
125.09621	20.3
129.07018	11.1
130.07945	1.7
131.08571	33.1
133.06488	2.2
133.10152	26.1
135.08090	9.7
135.11707	13.8
137.09639	5.3
137.13263	3.6
143.08551	11.2
145.06439	2.5
145.10118	18.5
147.08014	2.9
147.11682	17.1
149.09627	5.7
149.13260	6.8
153.06917	2.2
153.09143	2.5
155.08601	4.6
157.10143	8.9
159.08101	2.6
159.11707	16.8
161.09641	2.3
161.13260	8.4
163.11151	2.9
163.14810	3.1
167.08569	3.4
169.10143	3.6
171.10297	3.7
171.11586	9.2
173.09688	3.4
173.13251	12.7
175.11243	4.9
175.14850	5.2
177.05513	3.1
183.11632	4.4
185.13281	7.5
187.14832	6.3
189.09676	2.5
189.11203	14.1
189.16376	4.8
193.12259	10.9
197.13301	4.2
199.14859	4.9
201.16351	3.4
221.13301	2.9
227.12723	14.8
231.17496	2.2
233.15485	2.0
243.21095	3.9
247.16855	3.3
261.22165	16.2
267.15909	27.5
279.23239	2.6
282.34741	2.0
283.24304	2.4
285.22241	7.3
293.21445	1.9
301.25293	24.2
317.24741	4.9
331.22772	2.4
335.25848	20.1
341.24863	2.7
355.11774	2.4
357.27908	2.2
359.25784	5.2
403.24747	3.1
417.26300	3.3
417.31601	3.8
421.26111	4.8
435.27228	3.6
435.32742	10.5
453.33691	19.2
471.34796	11.8
509.36505	5.2
527.37354	64.7
528.37268	3.5
545.38367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.3
53.03942	9.3
54.58540	1.3
55.01881	3.3
55.05262	1.8
55.05514	30.5
57.03440	9.0
57.07074	4.1
59.04996	1.2
65.03934	4.9
65.26682	1.2
67.05505	61.8
69.03425	3.7
69.07067	16.6
70.89294	2.3
70.89639	2.7
71.04987	4.7
72.32038	1.2
77.03932	1.2
79.05494	61.2
81.03420	40.7
81.07060	67.1
83.04990	10.2
83.08624	20.8
85.02907	21.0
85.06544	2.9
91.05482	54.9
93.07047	62.8
95.04977	20.9
95.08611	42.2
97.02917	1.9
97.06530	4.7
97.10177	7.6
99.08085	1.8
105.04539	1.9
105.07037	39.6
107.04967	5.8
107.08602	30.5
109.06551	7.6
109.10167	19.7
111.04480	2.2
111.08073	10.0
113.06010	2.2
115.05492	3.0
117.07005	7.6
119.08580	27.7
121.06515	5.7
121.10146	26.3
123.08061	4.0
123.11749	6.4
123.12483	1.6
125.09631	5.4
128.06219	2.2
129.06996	12.1
131.08571	21.3
133.02818	2.9
133.06514	2.5
133.10141	20.3
135.04463	2.1
135.08075	2.3
135.11699	17.5
137.09639	1.8
137.13248	2.1
142.07820	1.4
143.08559	4.5
145.06505	1.9
145.10126	12.4
147.08038	2.9
147.11702	16.9
147.76982	1.4
149.02333	2.8
149.09659	4.4
149.13287	6.5
151.03860	2.5
151.07584	2.3
155.08572	2.7
157.06439	1.3
157.10144	13.6
159.11673	8.5
161.06009	2.0
161.13321	6.3
163.03932	2.8
163.11163	1.4
163.14784	1.3
165.12753	3.9
169.10149	3.7
171.11713	4.7
173.13260	6.6
175.11238	10.1
175.14868	1.7
177.05513	7.7
179.07109	2.4
181.04982	3.8
183.11620	1.9
185.09676	1.2
185.13264	3.3
187.14900	3.7
189.11234	2.5
191.07132	3.3
192.07805	2.6
193.12253	44.7
197.06096	1.3
197.13319	2.0
199.14787	1.6
202.64410	1.2
203.07047	12.8
206.10857	1.3
211.13278	43.9
213.16479	2.5
223.37781	1.3
224.36754	1.4
227.12717	2.1
243.21193	2.1
251.07179	1.7
253.08768	1.8
261.22144	8.4
267.06699	1.6
267.15991	4.9
275.89169	1.4
291.06549	1.7
301.25305	5.8
303.23230	1.7
327.23193	1.5
335.25778	5.1
349.10782	2.8
355.11743	12.5
377.10181	9.9
409.12918	4.3
417.31665	1.7
435.32816	5.1
453.33539	3.8
467.22192	1.6
471.34787	2.1
485.23486	1.6
495.21680	3.6
513.22565	7.3
527.30225	1.7
527.37390	16.1
545.25128	4.4
545.38446	100.0
546.38562	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01870	6.7
55.05268	2.1
55.05515	36.1
57.03435	11.6
57.07048	3.1
59.04984	2.0
61.21750	1.8
65.03925	5.1
67.05509	75.7
69.03422	2.9
69.07066	19.0
69.69560	1.5
70.17323	7.1
71.04975	4.9
71.22037	1.4
79.05498	60.5
81.03426	36.2
81.07064	74.4
83.04978	10.3
83.08627	26.8
85.02901	12.0
85.06517	3.5
90.17530	1.8
91.05483	48.0
93.07052	54.5
95.04971	21.8
95.08043	3.2
95.08614	40.0
97.06523	5.7
97.10178	19.1
98.20793	2.3
105.04594	1.9
105.07040	40.0
107.04961	7.2
107.08607	36.2
109.06522	5.8
109.10166	25.4
111.04480	2.3
111.08096	8.4
117.07022	13.4
119.05000	2.2
119.08588	37.1
121.06513	5.8
121.10158	25.0
123.08090	4.9
123.11702	9.6
125.09619	13.8
129.07039	14.4
131.08577	28.6
133.06471	3.4
133.10149	24.1
135.08040	4.8
135.11703	21.3
137.09596	2.4
142.07791	2.6
143.08617	8.3
145.06520	3.1
145.10135	18.1
147.04379	2.0
147.08116	2.7
147.11700	15.2
149.09663	6.1
149.13251	6.7
151.11162	2.1
153.09114	2.0
155.08582	3.9
157.10138	11.7
159.08136	2.3
159.11659	14.7
161.09651	2.2
161.13293	6.9
163.11169	3.9
163.14806	2.1
165.12782	1.8
167.08659	1.8
168.09328	1.8
169.10120	5.0
171.11723	5.5
173.13283	8.7
175.07507	1.8
175.11226	8.1
175.14824	6.2
181.10143	2.7
183.11652	4.7
185.09720	2.0
185.13306	5.2
187.11230	2.2
187.14839	4.6
189.11214	8.6
191.06990	2.8
193.12231	24.9
195.11728	2.2
197.13293	3.4
199.11174	3.1
199.14769	2.8
201.16411	1.7
203.07114	9.9
207.06561	2.3
211.13263	17.4
211.14935	2.4
227.12726	10.1
235.17044	1.9
243.21202	2.4
247.16916	2.7
249.14790	2.2
253.08691	3.4
261.22238	11.5
267.15924	17.2
285.22028	3.1
287.20203	2.2
299.23770	3.0
301.25299	16.6
317.24783	2.5
328.82181	1.8
335.25760	12.8
365.13919	7.5
367.10284	2.1
417.26089	2.2
417.31522	2.5
425.16052	2.5
435.32687	9.9
453.33591	14.6
471.34705	13.3
472.35614	1.9
513.22479	3.2
520.12292	1.9
527.30029	3.2
527.37415	50.6
528.37714	2.2
545.25269	4.1
545.38416	100.0
546.38690	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.6
53.03948	8.6
55.01870	4.8
55.05257	1.9
55.05514	29.1
57.03443	9.7
57.07071	3.0
59.04986	2.3
65.03934	4.2
67.05505	68.7
68.80483	0.9
69.03426	4.6
69.07076	21.5
70.82459	2.2
70.82817	1.3
71.04991	7.3
73.06544	1.5
75.02540	1.0
79.05495	72.8
81.03419	52.3
81.07059	63.9
82.07427	0.9
83.04979	10.1
83.08619	23.5
85.02908	26.0
85.06541	3.8
91.05483	58.5
93.07046	67.0
95.04976	29.2
95.08607	43.9
97.02918	2.7
97.06542	5.5
97.10169	9.8
99.04472	1.0
99.08139	1.3
101.06084	1.1
103.05451	2.4
105.04546	2.6
105.07033	41.9
107.04977	7.2
107.08595	37.0
107.09278	2.3
109.06525	7.6
109.10157	18.4
111.04440	2.7
111.08083	10.0
113.06022	2.6
115.05473	3.0
116.06340	1.0
117.07005	13.0
119.04974	1.6
119.08586	32.5
121.06511	4.5
121.10153	30.4
123.08082	3.7
123.11703	7.5
125.09650	5.4
128.06215	2.4
129.06998	13.0
130.07814	1.1
131.08569	28.0
133.06488	4.2
133.10129	18.8
135.04405	1.6
135.08035	2.3
135.11705	15.0
137.09644	3.3
141.06973	1.8
142.07785	4.4
143.08592	5.9
145.06496	4.3
145.10120	15.1
147.08044	4.8
147.11696	19.2
149.02365	2.4
149.09604	5.5
149.13306	5.3
151.11205	1.2
153.06999	1.6
153.09167	1.2
155.08575	3.6
157.06525	1.3
157.10136	15.3
158.07327	1.1
158.10884	1.1
159.11693	8.9
161.02347	2.6
161.05962	1.4
161.09621	1.7
161.13284	4.3
163.11221	1.8
163.14806	1.7
165.12737	3.4
167.03409	1.4
167.08569	2.5
169.10159	3.5
171.08051	2.6
171.11696	4.2
173.09691	1.2
173.13277	6.5
175.03931	1.8
175.07668	1.3
175.11203	14.0
175.14745	2.6
177.05563	2.1
179.07063	2.1
179.08545	1.3
181.10147	2.6
182.07396	1.2
183.11681	2.5
185.13298	3.6
187.03918	1.2
187.11198	1.6
187.14850	4.4
189.05476	1.5
189.11203	3.0
189.12741	1.3
191.07092	2.3
193.12250	51.9
195.08072	2.1
197.09639	2.3
197.13290	1.6
199.07512	2.6
199.14853	2.0
201.09109	2.2
201.12946	1.1
201.16362	1.5
203.07028	28.9
209.09746	2.3
210.79840	1.0
211.07603	1.6
211.13263	45.1
211.15164	2.3
213.09241	1.2
223.07571	1.9
225.09166	1.7
227.10672	4.3
227.12854	4.0
229.08591	1.6
241.08667	2.1
243.10229	4.3
243.21082	2.5
253.08627	1.6
253.12358	1.3
255.10190	2.8
261.22122	9.2
267.15820	7.6
269.08121	3.2
279.14120	1.3
285.22208	2.0
287.12961	2.4
301.22226	1.1
301.25168	6.1
311.16504	4.7
317.24832	2.1
325.18002	1.6
335.25839	5.4
343.19095	2.5
348.67096	1.4
365.13800	1.5
389.13882	1.9
395.14706	10.2
407.15280	1.6
417.31995	1.6
425.15952	2.1
433.16803	1.5
435.32690	4.9
444.15408	1.4
453.34192	5.6
453.39554	1.2
471.34726	3.6
509.36389	2.6
513.22925	2.6
513.31122	1.1
517.25928	3.9
527.37402	18.5
545.26294	8.6
545.38385	100.0
546.38910	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	545.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	0.6
69.07054	0.4
70.06595	1.6
81.07037	0.4
87.34072	0.3
97.02884	0.4
105.06973	0.4
108.39232	0.3
127.36375	0.3
130.06537	0.5
147.04337	0.3
157.48555	0.4
162.30464	0.3
215.02798	0.4
218.98441	0.4
229.02353	0.4
315.56039	0.4
316.16971	0.4
316.30594	0.3
366.45074	0.4
383.27701	0.6
515.31708	2.4
527.31842	0.5
545.32990	100.0
546.33698	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	545.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	0.5
69.07097	0.5
70.06593	1.5
71.06936	0.3
76.54115	0.3
81.07059	0.5
93.32579	0.3
95.08637	0.5
97.37687	0.3
98.21449	0.6
102.05582	0.3
127.03967	0.4
157.07663	0.3
159.11746	0.4
174.12357	0.3
177.05464	0.3
182.04416	0.3
189.11235	0.3
317.16748	0.3
505.58859	0.3
515.32074	2.6
520.66394	0.3
527.31396	0.5
545.33020	100.0
546.33386	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01863	4.5
55.05261	2.6
55.05514	35.4
57.03425	7.7
57.07068	3.7
58.08606	1.9
65.03926	4.0
67.05507	66.5
68.27399	1.9
69.03407	3.3
69.06757	2.1
69.07073	21.7
71.05007	3.6
79.05493	46.5
81.03422	23.9
81.07057	63.5
83.04976	8.7
83.08633	19.3
85.06541	3.0
86.93124	2.0
91.05486	63.4
93.07050	41.5
95.04972	23.7
95.08607	40.9
97.06516	6.4
97.10184	20.3
105.04514	1.9
105.07030	33.4
107.04948	7.2
107.08607	27.1
109.06529	7.3
109.10162	26.6
111.08092	5.4
113.09634	1.9
115.05418	3.9
117.07011	13.9
119.04911	2.0
119.08599	27.1
120.77496	1.9
121.06523	16.0
121.10151	19.7
123.08067	6.1
123.11722	6.4
125.09637	19.8
129.07011	10.5
131.08566	24.6
133.06493	3.2
133.09203	3.1
133.10143	26.2
135.08076	7.4
135.11705	13.1
137.09625	3.6
137.13284	2.2
139.11159	2.5
141.07025	3.1
142.07790	2.7
143.08582	8.8
145.06506	3.6
145.10146	19.3
147.08069	4.5
147.11694	13.0
149.06061	2.6
149.09592	5.8
149.13272	5.3
151.03929	3.0
155.08553	6.1
157.10158	11.4
159.08072	3.3
159.11700	14.3
161.09659	2.2
161.13278	8.3
163.11212	4.0
163.14830	3.2
169.10143	4.8
171.10258	3.5
171.11719	8.8
173.09724	2.1
173.13242	9.4
175.11162	4.7
175.14810	2.5
177.05461	27.0
181.10123	3.2
183.11560	4.0
185.13277	5.8
187.14857	4.6
189.11310	10.5
189.12836	2.9
193.12212	10.2
195.11794	2.3
197.13219	2.7
199.14890	3.3
201.12756	2.4
201.16460	2.4
203.07054	5.9
205.04976	42.1
211.13271	2.4
211.15010	2.2
213.16420	2.7
215.18047	2.7
227.12733	14.6
233.15593	3.0
243.16040	2.9
243.21117	4.6
247.16948	2.9
261.22134	13.8
267.10150	13.9
267.15875	25.7
267.18130	2.3
285.11209	3.4
285.22311	3.6
299.23889	2.6
301.25247	23.1
303.23080	3.2
317.24741	5.1
323.16507	8.2
335.25827	18.9
359.25696	3.7
417.25916	2.6
421.25836	2.6
435.27350	3.2
435.32547	10.0
439.11838	9.2
449.28836	2.6
453.33691	17.8
471.34686	10.3
509.36401	3.5
527.37311	53.9
538.97339	2.4
545.38391	100.0
546.38892	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	545.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11798	0.5
55.01858	1.2
56.05031	0.9
56.22923	0.6
57.03430	1.9
61.02925	1.1
67.05495	0.8
68.43989	0.7
69.03440	5.9
69.07050	0.9
69.09441	0.7
69.44570	0.7
70.03075	3.0
70.06606	5.5
71.04994	1.7
71.06944	0.9
72.08150	2.4
73.02916	0.9
81.03426	1.5
84.08167	0.9
85.02908	3.3
86.09708	2.1
87.04510	0.8
93.07037	0.7
95.04983	1.1
97.02873	1.9
99.04467	1.4
102.05555	3.1
109.02885	1.7
120.08082	0.7
121.07649	0.6
126.05461	0.6
127.03948	1.2
136.07553	0.8
143.06071	2.0
145.07622	47.2
146.08374	1.9
147.09169	3.3
149.10751	1.6
155.00778	0.7
159.09203	2.0
161.07172	3.3
163.08705	2.4
167.07069	1.3
171.05519	4.5
171.09132	1.7
173.07089	1.3
187.08723	0.9
189.06609	38.5
191.08353	0.9
200.09525	2.0
201.10246	1.1
207.07663	6.6
214.06131	18.1
215.11942	1.1
216.97899	0.8
217.09654	1.0
217.13431	3.0
232.07214	1.5
243.11438	1.0
261.12378	10.9
261.14868	1.1
272.05215	0.9
277.11926	1.5
279.13504	2.6
287.10379	1.0
299.05792	1.4
305.11340	15.8
311.05554	2.9
322.14264	0.9
323.12384	3.4
348.11996	8.1
366.13120	1.8
383.19180	2.4
425.08783	1.1
443.09903	2.5
448.40350	0.7
485.17651	13.3
528.18298	100.0
529.18610	1.3
545.18555	2.4
545.26318	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96744	1.1
51.02382	1.5
53.03937	5.4
55.01868	3.4
55.05511	12.8
57.07071	2.8
65.03941	3.3
67.05508	35.4
69.03429	2.7
69.07073	12.4
70.65471	3.6
71.04986	3.8
73.06555	1.8
74.17446	1.3
75.04490	1.5
79.05493	22.2
81.03419	11.1
81.06635	2.2
81.07066	27.7
83.04974	4.2
83.08630	8.8
85.06548	2.5
91.05487	35.0
93.07051	78.3
93.33539	1.5
95.01344	2.6
95.04982	12.3
95.08609	15.5
97.06547	2.8
97.10171	7.9
99.04452	2.9
99.08102	37.0
101.06036	2.8
105.07042	21.0
107.04944	5.1
107.08605	47.2
109.06519	8.7
109.10162	12.2
111.08060	1.9
114.17057	1.2
115.05445	2.0
116.06262	1.3
117.07032	7.5
119.04944	1.5
119.08572	15.9
121.06506	6.7
121.10185	8.1
121.20776	1.1
123.08086	3.3
123.11754	2.5
125.09631	4.9
128.06212	3.5
129.07007	7.9
131.04935	1.8
131.08556	11.2
133.02809	1.2
133.06505	2.6
133.10124	8.3
135.08075	4.2
135.11705	52.1
137.05977	3.9
141.07004	4.5
142.07814	2.0
143.08562	5.3
145.06491	6.4
145.10141	9.5
147.04417	2.1
147.08035	5.5
147.11707	4.0
149.02383	2.8
149.09639	2.1
151.03824	1.4
153.07031	2.8
154.07825	2.2
155.08566	5.3
157.10141	6.5
158.07288	1.6
159.08037	3.0
159.11697	7.1
160.05196	1.9
161.02327	5.4
161.06032	6.1
161.09657	1.6
161.13306	2.2
163.03961	2.4
163.11147	2.0
165.05640	2.1
165.07037	3.8
166.07782	2.1
167.03374	2.1
167.08562	3.5
168.09396	1.5
169.06358	1.5
169.08743	2.4
169.10135	5.0
171.08090	2.7
171.10081	1.3
171.11694	2.5
173.06018	2.2
173.09616	3.3
173.13271	3.7
175.07661	2.6
175.14812	2.0
177.05490	4.8
177.12718	1.2
178.07870	1.7
179.08577	1.6
181.06583	1.4
181.10069	2.4
183.08150	2.4
183.11691	4.7
185.05974	4.7
185.09564	3.3
185.13255	1.8
187.03888	1.5
187.07500	3.1
187.11169	1.4
187.14862	2.9
189.05565	1.5
189.11206	2.2
192.07834	2.8
193.10161	3.7
193.12302	4.2
195.08060	4.9
195.11754	2.5
197.09674	3.6
199.07527	2.0
199.11244	2.7
200.04660	1.3
201.09055	3.3
201.12711	3.3
203.07037	100.0
205.04964	5.1
209.09602	4.0
210.10431	2.0
211.07605	2.4
211.11206	2.1
213.09073	3.3
215.10561	2.3
215.14346	2.7
217.08575	5.3
223.07616	2.8
223.14801	2.0
225.09096	4.0
225.12738	2.7
227.07048	2.4
227.10707	2.5
227.12793	5.5
229.08641	3.3
233.13243	1.7
233.15408	1.6
235.11101	2.0
237.12718	2.6
238.09840	2.1
239.10738	2.2
241.08641	3.7
243.10156	19.1
243.12680	1.2
243.13956	2.6
247.17006	1.4
249.12741	1.7
251.10561	2.1
251.14349	4.3
253.12195	4.0
255.10237	2.0
257.11780	3.6
261.12830	1.4
261.22208	4.6
267.10074	1.9
267.15903	8.6
269.08246	7.2
269.10703	1.3
271.09811	2.2
271.13370	1.6
277.08627	1.2
277.12289	1.8
279.13864	3.8
283.16928	7.4
285.22012	2.1
293.15332	12.6
297.11252	2.8
301.25418	7.3
303.15961	3.9
311.16461	16.7
325.18073	3.5
335.09134	1.6
335.25766	4.5
339.12448	1.5
343.19281	1.5
367.11649	2.6
377.13681	1.8
391.15302	2.0
399.14243	8.8
412.13403	1.4
435.32425	3.1
453.20523	5.3
453.33917	6.0
471.34674	4.6
481.19998	5.8
485.23581	3.0
495.21805	8.3
513.22815	24.6
515.24457	1.6
527.24817	5.9
527.37231	18.3
545.25482	31.7
545.38263	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	543.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32889	0.4
60.04513	0.4
63.56728	0.3
70.06592	0.6
71.14748	0.5
71.15082	0.5
83.05042	0.4
85.02931	0.6
86.09717	0.3
91.05484	0.9
95.08647	0.4
105.07050	0.7
107.04930	0.6
107.08590	0.4
109.06508	0.4
117.06965	0.4
119.04955	0.7
119.08596	0.5
120.08079	0.9
121.06536	2.0
133.02858	0.4
135.08049	1.6
137.06026	0.5
145.06512	0.4
146.07288	0.6
147.04352	1.7
147.08066	1.0
149.05966	1.0
149.09653	1.0
151.07535	2.0
153.05458	1.6
154.06259	0.4
161.05888	0.5
162.06772	2.2
163.07542	2.9
164.08287	0.4
165.05482	1.5
166.06282	3.1
168.07829	5.0
177.05576	0.6
177.09146	1.8
178.09897	10.1
179.07010	3.8
181.07341	0.2
181.08603	12.2
194.09396	11.8
209.11734	31.6
210.12051	0.5
270.65225	0.4
275.07425	1.9
289.05383	0.4
333.07907	1.2
335.09497	21.7
463.84302	0.4
525.22894	0.6
543.20386	100.0
544.20801	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	543.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96544	0.5
56.05015	2.1
57.03435	2.8
59.06112	1.4
61.21714	0.5
62.49236	0.6
68.05016	1.8
69.03408	1.4
70.83530	1.3
71.06138	0.6
72.04504	1.2
72.08147	1.0
74.06090	3.9
81.03423	2.7
82.78057	0.6
83.04943	0.7
84.04466	1.0
85.02921	5.1
86.06049	1.2
89.03928	4.2
95.04935	0.7
97.02888	0.8
97.07660	1.8
98.06021	1.6
98.97598	0.7
102.05521	1.8
103.03948	29.2
103.08687	1.6
109.02869	1.6
111.97269	0.7
115.08691	4.6
117.03390	12.7
120.06593	13.3
134.03693	0.8
135.04362	1.3
141.10204	1.6
142.08614	0.9
144.06599	5.7
145.02859	34.5
146.08121	0.7
149.06000	3.7
159.11304	19.0
159.12642	0.9
161.09248	3.8
163.03912	0.6
165.14383	0.5
170.08127	1.8
177.05486	45.0
187.10822	3.4
188.09203	6.4
204.80037	0.6
205.11852	100.0
206.12270	1.0
207.06364	0.6
321.09702	1.3
339.10913	1.1
367.17169	6.3
447.11075	0.7
494.88666	0.7
506.03262	0.6
543.21954	92.8
544.23065	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01867	2.6
55.05519	1.0
57.03424	3.1
61.02909	1.8
65.03931	2.4
67.05497	2.0
69.03434	4.5
69.07059	1.1
69.99282	1.3
69.99682	3.1
71.01355	1.3
73.02922	10.3
77.03936	0.9
79.05499	11.7
81.03417	2.1
81.07042	2.9
85.02911	3.8
91.05485	6.6
93.03422	1.7
93.07041	1.9
95.04997	3.6
95.08594	1.2
96.05759	1.0
97.02892	2.9
98.21423	1.2
103.05476	2.7
105.03410	4.5
105.04476	0.9
105.07032	2.9
107.01331	0.8
107.04288	1.0
107.04960	16.1
107.08582	1.3
108.05756	2.8
109.02880	2.5
109.06497	1.8
109.10158	1.8
115.03956	1.1
115.05470	2.5
117.07021	1.8
118.04151	1.9
119.04932	1.7
119.08567	0.8
121.02875	1.0
121.06510	7.5
121.10162	0.9
122.66219	0.7
123.04364	0.9
124.05190	3.8
124.62934	0.8
125.05980	1.2
125.09654	0.9
127.03934	1.3
128.06227	4.7
129.07004	5.6
131.04956	1.7
131.08565	2.2
133.02864	6.3
133.06505	4.5
133.10117	0.8
135.00801	4.4
135.04393	4.8
135.08093	1.5
136.05188	7.6
137.02330	1.2
137.05991	1.4
139.07558	10.0
141.06958	4.3
142.07700	1.0
143.08580	1.0
144.05661	0.9
145.06485	2.9
147.04437	6.2
147.08035	1.0
147.11731	0.9
148.05161	6.5
149.02393	1.4
149.05998	3.1
150.06763	1.5
151.07545	38.4
152.06206	1.4
153.05452	1.3
153.06946	2.3
154.07777	0.9
155.04938	0.9
155.06993	1.3
155.08574	2.6
157.06482	3.2
157.09958	0.9
159.04402	2.2
159.08049	2.7
161.05984	5.2
162.06804	4.2
163.00258	0.9
163.03914	6.0
163.07564	1.8
164.04735	1.5
165.05475	9.4
165.06903	2.6
165.09088	3.7
167.07053	7.3
167.08421	1.8
169.06461	2.4
171.08012	1.0
173.02370	2.1
173.06042	4.7
173.09509	0.8
175.03925	2.7
176.04683	3.2
177.05464	17.5
178.06264	3.5
178.07739	1.7
179.03609	2.2
179.07042	100.0
181.01393	1.6
181.04991	1.7
181.06485	2.5
182.07286	1.0
183.08075	3.4
184.05212	0.9
185.05978	4.5
187.03876	1.6
187.07564	5.0
189.05457	1.9
191.03433	4.6
191.07039	42.1
192.07816	39.0
193.06799	0.6
193.08620	5.0
195.08066	2.5
197.05998	3.7
199.07532	2.8
201.05493	4.8
201.09198	1.1
203.07053	2.2
205.04915	1.0
205.08438	1.4
207.08115	1.0
207.58768	0.8
209.09581	1.1
211.07614	5.3
212.08325	1.0
213.05458	3.3
213.09120	1.2
213.87025	0.9
215.03444	0.8
215.07054	4.0
216.86728	0.7
217.08592	0.8
219.06459	3.4
220.07231	1.1
221.08009	1.3
223.07526	3.2
224.08290	1.8
225.05495	2.2
225.09018	4.0
227.06982	4.0
229.04984	2.1
229.08684	6.8
231.06538	4.9
233.08055	2.4
235.07541	1.0
237.09087	1.2
239.06909	3.8
240.07889	1.3
241.04968	1.5
241.08534	1.8
243.06557	9.8
245.04509	1.4
251.07036	2.9
253.08594	5.6
255.06528	2.8
257.08200	4.0
261.07669	3.0
267.06454	3.6
269.08133	3.5
271.09677	2.6
273.07428	1.0
275.20001	1.3
277.08679	0.8
279.06473	2.1
281.08267	1.9
283.09720	1.8
285.07715	1.5
293.08072	1.6
295.08759	5.5
297.07599	5.8
307.09439	1.3
315.08682	5.0
323.09280	1.0
325.10684	1.5
333.09763	2.0
343.17538	0.9
345.11563	0.9
351.10806	1.4
353.10434	1.1
361.12830	2.2
363.12054	1.1
365.10297	1.1
383.10999	1.2
389.13184	1.3
391.12253	0.9
393.13199	1.2
405.13373	5.4
411.14395	27.9
411.19888	1.5
415.49677	0.8
417.13278	1.3
423.14417	21.3
435.14383	8.3
437.12335	2.2
447.14453	1.4
453.15469	42.7
454.15854	1.3
459.14575	4.8
461.16174	1.1
471.14209	3.6
477.15555	7.3
483.16425	1.0
489.15485	15.8
507.16647	6.6
525.17383	3.5
543.18555	30.4
543.31219	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	543.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05500	0.7
56.96573	0.3
57.57839	0.2
67.05495	0.8
69.03421	0.4
69.07069	0.4
70.04072	0.7
71.04962	0.2
79.05488	0.7
81.03419	0.4
81.07048	0.9
81.76159	0.2
83.08605	0.2
84.23925	0.2
85.02917	0.5
85.06551	0.2
87.00828	0.4
91.05483	0.6
93.07047	0.4
95.04965	0.7
95.08594	0.6
97.02912	0.4
97.06532	0.5
98.97617	0.3
99.04440	0.2
105.01922	0.2
105.07016	0.7
107.08598	0.9
109.02907	0.3
109.10178	0.9
115.05443	0.3
117.03383	0.4
117.05776	0.3
117.71634	0.2
119.08598	0.4
121.06422	0.2
121.10145	0.4
123.00771	0.5
123.11749	0.2
124.01574	0.3
125.02308	0.2
127.03907	0.4
129.07022	1.3
130.06548	4.6
131.08553	0.3
132.08096	1.3
133.10127	0.2
134.03638	1.6
137.06010	0.3
142.06508	0.5
144.08047	0.3
145.10097	0.3
147.11693	0.3
148.05110	0.2
149.09624	0.4
151.03888	0.6
151.07561	0.3
151.11192	1.9
152.01062	5.8
153.01842	3.9
154.06531	0.8
155.04929	0.6
156.06871	0.3
156.08093	1.1
157.06439	0.6
157.07623	3.0
158.06039	0.5
158.08429	0.3
159.09174	3.0
160.07520	0.2
163.03902	0.2
167.04953	0.6
170.02129	2.0
171.09167	1.6
174.06744	0.2
175.03940	0.6
183.04396	0.6
183.05728	0.3
184.05154	0.7
184.07590	0.8
185.05730	1.6
185.07182	1.2
195.04436	0.5
199.08739	4.4
200.04631	0.3
200.07133	0.4
200.09511	0.4
201.10272	0.5
202.06255	0.8
207.06558	0.4
211.03954	0.5
212.04697	1.2
213.05493	1.3
223.04012	0.3
225.05423	0.3
227.08424	1.5
228.04335	0.3
229.05003	2.0
230.05774	2.2
240.04175	0.2
241.02635	0.4
241.04985	6.3
244.08426	2.6
245.09149	3.5
255.06580	0.7
256.03644	1.1
257.04419	0.2
258.05231	0.7
269.04480	5.0
269.07635	0.4
271.03036	0.3
271.06036	6.7
273.07758	0.3
285.04056	1.4
286.04742	12.8
287.05289	0.2
297.07645	0.4
299.05490	3.6
301.07086	100.0
302.07349	1.2
313.10721	2.6
343.08188	0.6
357.09717	0.7
387.07132	9.4
440.11356	0.6
543.13202	1.3
543.32605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
67.05495	3.3
69.07060	2.0
69.74436	2.7
69.74839	6.6
70.06577	1.5
75.86858	1.3
76.60964	1.4
79.05476	4.7
80.04996	1.7
81.03405	2.0
81.05820	1.8
81.07057	2.5
82.06564	2.4
91.05463	5.9
93.07030	11.3
94.06571	12.9
95.04969	3.3
95.07354	13.0
96.08134	25.7
97.06535	3.7
103.05455	2.8
108.08130	20.1
109.08880	1.4
110.09689	51.6
120.08113	29.5
121.06469	1.9
122.06018	1.5
124.07603	2.0
136.07594	11.5
137.05945	3.1
138.05476	3.0
138.08131	3.1
138.09148	53.3
139.05969	1.4
146.05995	4.5
148.07567	9.5
152.69489	1.5
164.07062	1.8
166.08653	100.0
172.04004	1.8
174.05397	1.4
177.05449	1.9
199.08727	2.4
204.06625	1.6
209.10765	2.2
213.10204	2.4
223.08672	3.7
223.75107	1.4
224.09393	2.1
225.10188	5.4
227.08171	3.2
227.11703	1.4
235.08653	3.2
236.09328	2.5
237.10228	18.9
238.10854	3.1
239.08131	8.5
239.11794	3.0
241.09726	5.3
251.08141	5.3
252.08873	2.4
253.09714	20.7
255.11180	4.0
262.11102	1.6
264.08670	1.5
265.09729	28.2
266.10504	2.6
267.07629	5.5
267.11209	9.1
267.15784	2.2
269.09164	2.7
277.09741	2.2
281.09167	18.8
282.10126	1.9
283.10825	17.4
285.16940	3.7
287.10162	2.4
293.09186	23.6
294.09991	2.1
295.10760	18.4
298.09412	1.6
299.10349	4.0
301.11801	5.6
309.08780	4.7
311.10297	15.1
313.11908	5.3
321.08612	8.1
327.09738	19.7
339.09781	27.9
341.11505	2.2
353.11343	3.1
359.12390	41.0
371.12354	21.1
388.16422	2.9
400.16418	2.2
418.17542	3.4
436.18628	3.6
446.17218	11.2
448.18637	4.0
464.18222	38.7
466.19659	2.1
474.16650	6.2
492.17712	62.6
493.17661	3.5
498.23685	2.1
506.19156	6.7
510.19327	1.9
524.20251	13.0
542.22137	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	542.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03635	1.0
67.05500	2.7
69.03426	1.5
69.07076	1.0
70.61513	2.4
70.61866	1.0
79.05492	3.1
80.05013	1.8
82.06573	3.0
85.02898	1.2
91.05489	5.5
93.05753	1.1
93.07050	9.0
94.06576	11.9
95.04940	2.3
95.07353	11.2
95.08579	1.2
96.07558	1.5
96.08142	27.9
97.06522	3.1
103.05448	1.5
106.06609	0.9
108.04498	1.1
108.08123	18.5
109.08909	2.4
110.06053	1.1
110.09689	48.8
118.06544	1.0
120.08118	27.7
124.07617	2.0
128.07072	1.1
133.27414	0.9
136.07573	12.3
138.05505	3.4
138.09152	51.5
146.06029	14.7
148.07587	11.2
162.05467	1.5
166.08652	100.0
167.08969	1.3
172.03922	1.4
174.05519	2.2
178.55458	1.0
192.06511	1.1
204.06645	2.3
206.08141	4.3
209.10878	1.1
211.08710	2.3
213.10194	1.4
223.08636	2.8
224.09456	1.7
225.10243	5.8
227.08208	2.0
237.10228	12.5
238.10997	2.3
239.08182	7.4
239.11826	3.7
241.09761	5.4
251.08070	4.9
252.09035	1.3
253.09801	13.6
255.07648	1.2
255.11287	4.0
264.08911	1.3
265.09756	21.9
266.10532	2.3
267.07996	5.1
267.11191	8.0
269.09238	3.2
277.09558	1.1
279.07730	1.3
281.09256	17.2
283.10815	12.4
287.10220	2.8
293.09222	20.5
294.10043	1.1
295.10818	17.9
299.10226	4.4
301.11761	6.4
309.08698	3.0
311.10266	14.2
313.11816	5.8
320.43109	1.0
321.08719	9.2
322.07095	1.4
327.09732	18.2
327.13342	0.8
330.12253	1.2
331.13382	1.4
339.09796	27.1
341.11414	3.1
343.13257	1.2
344.13937	1.2
353.11353	4.0
354.09650	1.3
357.14539	1.1
359.12408	34.8
371.12360	17.4
388.16531	1.9
418.17682	4.8
436.18939	2.6
446.17154	8.8
448.18692	3.4
449.16776	1.0
464.18213	32.2
466.19647	7.7
474.16629	6.2
478.19684	1.9
492.17706	59.6
493.17618	1.1
506.19299	8.1
524.20319	15.5
542.22137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
67.05495	3.3
69.07060	2.0
69.74436	2.7
69.74839	6.6
70.06577	1.5
75.86858	1.3
76.60964	1.4
79.05476	4.7
80.04996	1.7
81.03405	2.0
81.05820	1.8
81.07057	2.5
82.06564	2.4
91.05463	5.9
93.07030	11.3
94.06571	12.9
95.04969	3.3
95.07354	13.0
96.08134	25.7
97.06535	3.7
103.05455	2.8
108.08130	20.1
109.08880	1.4
110.09689	51.6
120.08113	29.5
121.06469	1.9
122.06018	1.5
124.07603	2.0
136.07594	11.5
137.05945	3.1
138.05476	3.0
138.08131	3.1
138.09148	53.3
139.05969	1.4
146.05995	4.5
148.07567	9.5
152.69489	1.5
164.07062	1.8
166.08653	100.0
172.04004	1.8
174.05397	1.4
177.05449	1.9
199.08727	2.4
204.06625	1.6
209.10765	2.2
213.10204	2.4
223.08672	3.7
223.75107	1.4
224.09393	2.1
225.10188	5.4
227.08171	3.2
227.11703	1.4
235.08653	3.2
236.09328	2.5
237.10228	18.9
238.10854	3.1
239.08131	8.5
239.11794	3.0
241.09726	5.3
251.08141	5.3
252.08873	2.4
253.09714	20.7
255.11180	4.0
262.11102	1.6
264.08670	1.5
265.09729	28.2
266.10504	2.6
267.07629	5.5
267.11209	9.1
267.15784	2.2
269.09164	2.7
277.09741	2.2
281.09167	18.8
282.10126	1.9
283.10825	17.4
285.16940	3.7
287.10162	2.4
293.09186	23.6
294.09991	2.1
295.10760	18.4
298.09412	1.6
299.10349	4.0
301.11801	5.6
309.08780	4.7
311.10297	15.1
313.11908	5.3
321.08612	8.1
327.09738	19.7
339.09781	27.9
341.11505	2.2
353.11343	3.1
359.12390	41.0
371.12354	21.1
388.16422	2.9
400.16418	2.2
418.17542	3.4
436.18628	3.6
446.17218	11.2
448.18637	4.0
464.18222	38.7
466.19659	2.1
474.16650	6.2
492.17712	62.6
493.17661	3.5
498.23685	2.1
506.19156	6.7
510.19327	1.9
524.20251	13.0
542.22137	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	10.7
55.43072	2.5
57.07084	17.9
67.05514	18.0
69.07074	21.9
70.06596	10.4
71.08627	7.5
71.55844	2.5
79.05498	14.2
81.07069	53.2
83.08632	10.9
85.10193	3.3
88.07647	18.7
89.06038	4.2
91.05499	18.3
92.11615	2.3
93.07045	27.0
95.08036	4.2
95.08612	43.7
97.10198	3.3
102.09184	10.9
105.07037	25.8
107.08613	29.9
109.10168	27.5
117.07029	5.5
119.08576	25.3
121.10151	25.0
123.11744	12.9
129.07040	2.8
131.08569	9.7
133.10104	12.3
134.08936	2.5
135.11697	16.8
137.13274	4.7
142.07784	2.9
143.08583	8.7
144.09377	4.3
145.10117	14.8
147.11668	16.4
149.13278	11.0
155.08495	2.5
156.09406	2.7
157.10167	7.7
159.11722	17.5
161.13266	12.3
163.14816	6.0
169.10210	4.6
171.11728	6.7
173.13269	10.2
175.14848	10.5
177.16452	5.0
181.10139	2.9
183.11667	3.6
185.13333	6.2
187.14833	7.7
189.16402	9.6
191.18016	3.5
197.13312	4.2
199.14815	4.4
201.16389	8.6
203.07082	3.2
203.18010	6.7
211.14851	4.2
213.16341	5.4
215.17986	4.9
223.14732	2.6
227.17995	4.0
227.42542	2.1
229.19550	3.9
237.16463	2.8
239.17984	2.8
241.19446	4.2
243.21109	4.0
245.22726	2.3
255.21078	4.3
256.26361	19.7
257.26721	16.1
267.10205	6.5
269.22800	2.6
281.22495	3.2
283.26575	5.0
284.26627	4.2
284.29459	5.5
285.25635	3.2
285.29886	4.3
309.25714	2.6
311.29614	12.5
312.29858	22.2
337.29108	2.9
496.57526	2.7
541.47296	40.8
541.53900	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	541.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94118	7.5
55.05505	25.0
57.03446	11.3
57.07079	7.8
67.05515	42.7
69.03440	16.7
69.07068	58.7
70.06592	8.5
70.91408	15.8
70.91754	7.0
71.04999	12.4
79.05499	18.8
81.03419	11.1
81.07064	100.0
82.07433	7.3
83.08615	11.4
85.02902	24.2
85.06541	48.4
91.05479	10.9
93.07044	59.7
95.08620	79.0
97.06507	10.1
99.08096	17.1
102.29713	8.6
105.07035	18.6
107.08607	57.9
109.10165	61.5
111.08090	20.1
117.63463	6.3
119.08565	23.6
121.10153	44.2
123.11733	40.2
125.09598	15.3
127.03874	11.3
127.11159	10.4
133.10100	16.6
135.11717	24.8
137.13255	14.2
138.09175	6.5
139.11194	21.8
147.11697	15.6
149.13274	27.5
153.12796	11.2
159.11674	10.6
161.13202	9.8
163.14847	8.8
167.14337	34.3
171.13797	37.5
175.14897	10.7
211.17082	9.4
213.18097	6.4
229.17879	8.7
248.83937	7.0
289.25192	23.0
295.26370	15.2
307.26334	46.4
325.27454	34.9
343.28400	14.3
370.94745	6.9
465.71063	8.7
540.70483	7.2
541.22131	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	541.359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86871	2.1
53.03951	2.4
55.01884	2.5
55.05509	8.5
57.07061	3.8
67.05513	17.4
69.03442	3.9
69.07076	25.4
69.88739	12.2
71.04990	6.6
74.36136	2.1
79.05479	12.6
81.03436	2.7
81.07067	44.8
83.08633	7.3
85.02898	7.0
85.06548	16.9
87.31281	2.2
91.05477	7.9
93.07054	31.8
95.08617	34.3
97.06524	13.4
97.10188	3.0
98.20744	3.9
99.08099	7.6
105.07040	13.8
107.08604	30.0
109.06494	2.7
109.10165	37.0
111.08084	10.1
111.11722	3.8
119.08581	8.2
121.10154	11.8
123.11713	17.9
125.09645	9.8
127.03923	2.6
127.11205	14.3
133.10156	4.7
135.11685	17.9
137.13277	6.3
138.09186	2.4
139.11176	4.8
145.10118	3.7
147.11711	8.6
149.13234	6.9
153.12744	10.4
157.12294	3.1
159.11751	3.2
161.13264	3.7
163.14818	4.5
165.12805	5.4
167.14381	4.1
171.13824	100.0
175.14903	4.6
177.16495	2.4
193.15871	2.3
229.18001	2.4
271.24026	2.7
277.25134	3.8
289.25327	11.3
295.26483	4.3
307.26251	14.0
317.60486	2.6
325.27426	15.4
343.28406	8.0
361.29303	4.2
524.58807	2.5
541.22882	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	541.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01866	3.6
55.05517	13.5
55.71771	2.0
57.03429	3.5
57.07078	11.9
59.05016	3.9
59.54562	2.1
67.05502	26.9
69.03423	7.6
69.07070	27.2
71.04997	2.6
71.57921	1.7
72.08131	2.0
79.05499	20.6
81.03405	4.2
81.07059	73.5
83.04979	3.8
83.08608	10.0
85.02914	15.3
85.06543	100.0
91.05489	10.4
93.07042	43.0
93.24192	2.4
93.27335	1.9
95.04961	2.3
95.08606	57.1
97.02893	3.8
97.06527	7.5
97.10172	5.6
99.04442	2.6
99.08083	12.4
103.05428	2.2
105.07025	20.0
107.07950	3.4
107.08597	35.1
109.02879	4.6
109.06487	2.6
109.10154	49.3
111.08084	10.9
111.11725	6.8
113.09653	6.0
115.07590	3.7
119.08582	13.7
121.10156	35.0
123.11724	23.7
125.09628	13.1
127.03898	4.0
127.11163	2.3
131.08575	5.4
133.10138	13.8
135.11708	29.9
137.05928	2.9
137.13232	9.4
137.34061	2.0
139.11177	12.4
143.10640	4.9
145.10104	5.8
147.11711	15.6
149.13263	22.5
151.14813	2.3
153.12746	7.5
157.12238	7.8
159.11679	7.5
161.13248	9.8
163.14856	12.1
163.16046	2.5
165.12727	4.7
173.13303	4.7
174.06790	2.5
175.14813	8.5
177.16373	4.0
178.08563	5.0
181.15773	2.6
183.13869	3.7
184.07286	2.4
187.14827	2.9
188.84889	2.1
189.09074	5.3
189.16364	5.7
190.09460	3.9
191.17920	8.1
193.15915	4.9
201.08994	2.3
203.17970	4.5
205.19621	2.2
209.08037	2.2
210.08430	2.8
211.16966	20.6
215.17943	2.9
219.10139	20.7
220.10507	19.2
223.20461	2.2
229.17958	20.9
241.21666	2.5
245.22626	2.6
247.10822	4.7
259.24176	3.6
271.24182	5.2
277.25278	6.1
285.75610	2.0
289.25299	15.6
295.26279	18.4
307.26294	33.4
311.33527	2.1
313.27402	29.9
324.18985	1.9
325.27362	31.8
343.28497	43.1
361.29355	4.4
433.15912	5.4
451.17130	3.7
541.24957	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	541.1687
Annotation	Dukunolide C
Peak:m/z	Relative Intensity
55.05482	1.7
56.96594	1.0
57.40033	0.8
59.18264	0.8
67.05499	2.5
69.03434	1.4
69.07079	1.5
71.37397	1.3
79.05489	2.3
81.03426	2.0
81.07056	3.0
85.02913	2.3
91.05470	1.8
93.07054	2.5
95.04954	0.9
95.08600	2.6
97.02899	1.1
98.97576	0.9
105.07021	2.9
106.07364	0.8
107.08600	1.7
109.06490	1.1
109.10191	1.4
119.08604	1.7
121.10115	1.6
131.08597	1.6
133.10124	2.0
137.06013	0.9
145.10124	1.8
147.11665	1.0
150.09122	1.1
151.03944	1.8
169.10150	0.8
181.03555	0.8
185.04225	1.6
207.84348	0.9
227.05325	2.9
232.26581	0.8
249.06151	1.3
267.07288	1.1
269.04547	0.9
271.04214	8.6
293.11484	10.7
298.48331	0.9
298.68500	0.8
313.10733	1.0
319.09677	1.5
342.18005	1.0
347.09286	1.1
379.11789	2.6
455.16553	4.9
477.79974	0.9
497.17847	32.9
498.18289	1.0
541.16852	100.0
541.33966	3.5
542.17365	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.7
55.01874	13.1
55.05516	20.5
57.03437	9.5
57.07081	10.9
61.02921	7.4
65.03941	3.2
67.05508	39.7
68.99790	8.9
69.03432	60.7
69.07072	33.7
69.23770	14.1
71.01334	1.5
71.04990	8.7
71.08626	3.2
73.02916	8.4
77.89498	1.4
79.05505	21.9
81.03424	57.3
81.03908	2.9
81.06577	3.8
81.07061	76.3
83.04972	5.0
83.08633	17.5
85.02908	100.0
85.06549	12.4
85.10163	1.8
87.00365	2.8
87.00837	37.0
91.05478	13.4
93.07050	28.1
94.05417	1.7
95.04986	9.8
95.08609	98.6
97.02891	30.9
97.06532	5.0
97.10181	9.0
98.20696	3.8
99.04459	21.1
99.08087	4.9
103.03963	3.0
105.01861	23.1
105.07033	21.5
107.04988	3.6
107.08604	28.7
109.02876	41.9
109.06544	5.5
109.10156	51.4
111.04467	4.7
111.08092	6.2
111.11733	6.8
113.57825	2.2
115.03923	4.5
117.01852	3.7
117.07006	6.6
119.08591	19.8
121.06508	5.9
121.10159	16.3
123.04454	4.9
123.08067	5.2
123.11706	22.8
125.09635	1.9
127.03919	88.4
128.06227	2.8
129.01842	6.4
129.07051	3.4
131.08592	12.7
133.06441	4.1
133.10127	18.4
135.08073	4.7
135.11719	13.0
137.09589	2.0
137.13274	10.5
139.07532	1.8
141.06927	2.7
142.07854	1.7
143.08563	6.0
143.14354	2.0
145.04970	16.7
145.06085	2.3
145.10149	10.7
147.02890	3.7
147.08028	4.3
147.11694	9.9
149.09567	3.6
149.13246	14.6
151.07486	2.8
151.14874	12.1
155.08583	3.2
157.10175	6.4
159.02887	16.8
159.08055	2.5
159.11676	11.0
159.81206	1.8
161.09625	4.3
161.13258	8.8
163.11237	4.2
163.14825	9.7
165.09134	2.6
165.16431	3.0
167.08646	1.6
169.10165	2.9
171.11697	5.4
173.09695	2.7
173.13264	5.9
175.11276	2.4
175.14830	5.6
177.09047	2.1
177.16411	2.0
179.17979	2.7
183.11749	2.4
185.09557	2.5
185.13263	4.4
187.11179	3.3
187.14906	4.2
189.03937	4.5
189.09183	3.1
189.12967	1.9
191.10594	1.8
191.17986	2.7
201.03958	2.8
201.12735	3.7
213.03909	2.3
213.16432	1.8
218.45058	1.6
231.04996	16.5
245.15413	2.0
275.20151	5.1
275.27423	2.7
291.26794	6.6
293.28433	12.8
303.26785	2.7
305.28378	3.9
311.29568	2.3
317.28348	4.9
321.27933	3.6
329.28479	2.7
333.28009	2.1
335.29834	2.4
341.28348	2.2
359.29419	4.5
365.28122	3.6
371.29205	2.5
383.29553	17.0
399.28989	1.8
401.30405	14.0
419.31595	5.0
437.32632	2.8
487.30313	4.8
505.31763	9.1
523.32526	7.1
541.13147	7.2
541.26147	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	540.9882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	4.6
57.40423	0.4
69.74151	0.7
69.74558	1.3
71.95266	1.3
98.21474	0.6
98.97587	76.4
116.98630	36.1
118.42725	0.4
122.16355	0.4
130.93320	0.7
134.99667	9.4
140.00107	0.5
153.00720	0.5
172.94341	2.8
179.77237	0.4
190.95453	2.5
197.95253	0.4
208.96463	0.8
214.95363	3.7
224.58873	0.5
232.96471	6.4
240.98802	0.8
250.97615	2.8
256.96436	20.4
258.99786	7.6
274.97519	100.0
275.98004	0.7
276.97864	0.7
277.00815	7.7
288.98813	0.4
290.95529	0.5
292.98572	54.2
293.98972	1.0
294.98737	0.5
297.99240	1.8
298.97772	0.8
314.95569	0.6
316.00150	0.6
316.98898	1.1
356.96494	0.4
382.99637	0.8
398.97617	24.1
401.00839	2.1
414.95654	0.5
416.98715	43.3
417.98999	1.7
432.96902	0.6
434.99762	6.4
440.00177	1.7
456.97070	1.8
468.97745	0.4
540.91101	0.8
540.98828	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	540.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80292	2.2
53.03936	3.1
55.05505	6.9
57.03439	6.5
58.88486	2.4
67.05505	8.1
69.03437	15.4
69.07067	5.0
69.41444	2.4
71.04979	4.8
71.09214	3.1
71.09544	3.2
73.02894	2.3
79.05477	4.1
81.03429	4.1
81.07055	8.5
82.06572	3.2
83.08653	4.2
85.02912	16.0
85.06552	7.4
87.04452	8.1
91.05487	3.6
93.03378	2.5
93.07048	9.6
94.06555	3.4
95.04961	7.5
95.08626	16.1
96.08092	4.5
97.02885	16.5
97.06519	3.5
99.04440	5.4
99.08097	39.7
105.07027	5.5
107.08592	11.4
108.08105	4.0
109.02827	2.7
109.10154	21.8
110.09677	10.7
111.08130	2.3
115.03940	14.1
119.08583	7.4
120.08098	7.6
121.10134	4.8
123.11707	4.1
124.07600	4.2
127.03915	3.6
128.07103	11.7
131.33945	2.4
133.04948	14.0
133.10110	16.0
135.08011	2.7
135.11740	12.2
137.09639	11.0
138.04460	2.8
138.05522	55.4
138.09157	37.2
145.04996	3.6
149.06068	3.5
153.12674	2.5
155.10657	7.4
166.08601	3.3
171.13756	3.5
175.14851	13.0
177.05515	3.1
193.15866	32.0
211.16951	100.0
229.18022	2.8
255.10014	4.4
267.07486	3.3
282.09692	7.1
375.12027	4.4
505.26205	4.2
508.16928	3.3
522.17773	33.9
538.47296	2.6
540.18896	4.4
540.23749	2.2
540.31812	4.6
541.22235	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	539.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.2
53.24380	9.9
55.05514	12.7
67.05509	46.3
69.03439	21.0
69.07070	25.1
70.06589	10.6
70.72147	21.6
70.72508	11.7
71.05011	12.1
79.05490	27.2
81.03427	11.6
81.07065	75.4
83.04978	18.7
83.08607	17.8
85.02890	21.5
85.06549	100.0
91.05491	17.2
93.07037	40.6
95.04968	27.4
95.08604	58.4
97.02861	20.6
97.06496	16.2
99.04485	9.7
105.07017	41.2
105.27741	8.6
107.08575	36.3
108.06535	8.5
109.06522	13.7
109.10167	33.3
119.08573	30.2
121.10142	25.4
123.11695	16.3
125.09615	21.0
131.08546	19.7
133.10126	37.1
135.08061	11.0
135.11711	24.4
137.13295	10.6
139.11154	11.5
143.08549	12.0
145.10101	15.5
146.30429	9.2
147.11697	24.2
147.34691	10.4
149.13272	20.4
159.11763	23.8
161.13229	11.3
173.13303	17.1
187.14977	9.5
189.16275	10.0
199.14890	12.5
202.25952	10.1
236.59578	8.4
239.78107	8.5
268.26294	8.7
269.22565	13.7
273.58130	9.8
275.23575	10.2
287.23807	17.3
301.38589	10.9
305.24786	39.9
323.25754	19.5
341.26700	23.7
539.20496	14.0
548.20990	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	539.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.8
57.03430	12.7
57.07069	16.8
58.07716	7.0
66.19808	6.1
67.05515	47.3
67.23108	7.0
69.03426	13.6
69.07076	53.5
70.60999	16.6
71.04985	9.2
72.25094	7.4
75.04404	7.0
79.05482	20.7
81.06639	8.3
81.07059	90.0
85.02907	20.6
85.06550	100.0
91.05464	28.0
93.07058	47.2
95.04989	11.5
95.08602	46.3
97.06508	11.6
99.08084	49.6
105.07053	34.2
107.08580	47.3
109.10203	40.4
111.11720	17.3
119.08571	37.9
121.10133	43.8
123.11720	13.3
125.09612	8.8
131.08543	13.3
133.10124	59.8
135.11693	23.5
139.11157	16.9
143.08603	8.9
144.02132	8.9
145.10092	19.9
147.11687	14.1
149.13330	16.7
157.10178	8.6
159.11734	18.0
161.13275	17.4
163.11098	8.6
171.13860	8.3
173.13254	19.4
175.14774	9.2
189.16290	11.2
195.13806	28.3
195.17404	7.6
207.17278	7.5
211.16942	21.4
219.10088	15.1
275.23636	11.5
287.23703	17.0
305.24655	28.8
323.25635	36.0
341.26944	21.2
359.27884	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88246	3.4
55.01863	5.5
55.05516	21.9
56.96579	3.9
57.03439	5.8
67.05509	24.6
69.03426	16.4
69.07070	26.1
69.47231	28.9
70.06585	5.4
79.05494	28.9
81.03423	11.9
81.07063	89.3
83.04993	5.8
83.08614	14.7
85.02921	21.8
85.06532	28.4
87.00826	5.1
89.45667	3.7
91.05491	12.1
93.07052	61.4
95.04949	5.3
95.08611	73.9
97.02888	7.2
97.06508	7.6
97.10172	16.4
99.08090	15.9
105.07030	21.1
107.08605	55.9
109.02891	6.3
109.06535	4.4
109.10169	52.5
111.08086	13.9
111.11714	5.8
113.06035	4.5
119.08592	19.3
121.10153	46.2
123.11700	29.6
125.09615	9.1
127.03919	11.4
131.08553	6.3
133.10123	18.0
135.11713	28.2
137.06001	3.7
137.13277	18.5
138.09131	3.8
139.11172	6.3
143.10638	4.2
145.10172	7.9
147.11713	13.7
149.13261	57.7
151.11200	10.8
155.27902	3.5
157.10187	3.7
159.08102	3.3
159.11752	5.6
161.13243	11.4
163.11217	4.4
163.14882	20.9
171.11713	4.1
173.13245	8.7
175.14848	7.4
177.16354	5.8
181.12308	4.6
189.16440	5.4
191.14331	15.5
195.13814	4.4
207.17599	4.9
209.15366	71.2
223.17020	13.0
227.16428	100.0
235.17084	4.9
249.18535	11.7
273.18524	6.9
287.23712	10.4
291.19785	4.3
305.24704	47.2
311.25705	13.3
323.22488	4.7
323.25842	45.6
341.26849	38.0
428.49915	3.8
500.42123	4.2
507.19330	8.9
539.20184	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95070	5.6
53.03949	6.0
55.05509	16.8
57.07076	12.0
60.86700	5.3
63.44854	5.7
67.05509	42.6
69.03437	12.4
69.07072	38.0
70.20482	12.0
70.20901	20.0
71.04981	10.8
75.12878	6.1
79.05492	24.4
81.03427	7.0
81.07062	100.0
83.04993	15.1
83.08628	20.7
85.02908	31.9
85.06551	51.0
91.05492	23.8
93.07049	53.3
95.04967	84.1
95.08614	73.5
97.02919	10.7
97.06515	13.9
97.10175	7.9
99.04480	29.6
99.08096	26.3
105.07029	32.8
107.08610	40.2
109.02885	10.0
109.06532	20.6
109.10165	52.3
111.08075	10.2
111.11822	7.4
113.06023	7.4
114.74647	5.9
117.06989	10.6
119.08611	33.3
121.06492	6.7
121.10149	48.7
123.11710	20.3
127.03915	6.5
130.94948	6.3
131.08554	14.1
133.10083	31.6
135.08102	8.6
135.11705	20.5
137.09712	6.0
139.11153	10.1
143.08611	7.7
145.10115	25.7
147.11688	20.5
149.13326	11.7
151.11147	6.5
152.91202	5.5
157.10159	17.0
159.11688	13.2
161.13257	6.1
163.11223	10.8
171.11725	7.9
171.13829	18.8
175.14764	7.5
177.16431	20.6
195.17459	19.8
213.16565	7.9
213.18513	19.3
269.22708	12.9
270.39136	6.2
275.23761	7.9
287.23715	27.9
293.24759	10.8
305.24835	62.5
323.25800	16.4
341.26828	54.0
515.97833	6.0
539.41516	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	539.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.05511	10.3
57.03437	2.8
57.07080	12.0
59.05016	2.1
59.99350	1.7
67.05505	35.4
69.03418	8.5
69.07074	18.5
69.39539	16.7
71.05002	2.3
79.05500	14.3
81.03436	3.3
81.07061	62.1
83.04969	5.8
83.08604	7.2
85.02918	9.5
85.06545	100.0
87.00745	1.9
91.05489	14.6
93.07059	35.3
95.04964	7.4
95.08608	39.4
97.02885	2.6
97.06551	4.5
98.21470	4.0
99.08102	7.0
105.07033	21.7
107.08598	28.4
109.06482	3.6
109.10159	29.7
111.08092	6.4
111.11736	3.2
113.09618	3.3
117.07002	2.6
119.08585	21.2
121.06477	2.1
121.10161	23.8
123.11731	13.6
125.09620	7.3
131.08551	8.3
133.10130	21.7
135.08037	3.8
135.11705	24.9
137.09589	4.9
137.13258	5.3
139.11197	3.8
143.08601	2.5
143.10692	2.6
145.10129	8.2
146.80818	2.1
147.11702	13.8
149.13266	9.9
151.11134	3.1
153.12756	2.1
155.10701	4.2
156.59372	1.8
157.10127	3.4
157.12239	5.3
159.11691	12.7
161.13235	5.6
163.11195	2.1
163.14833	6.8
165.12749	4.6
166.49777	2.5
171.11772	2.7
173.13252	7.2
175.14877	9.2
177.16321	3.4
183.13698	2.5
187.14847	6.2
189.16360	6.2
190.76796	2.0
192.83681	2.1
193.15915	5.2
195.13766	4.6
199.14972	4.6
201.16371	4.8
203.17975	6.1
205.15800	2.6
211.16972	12.8
211.18718	2.2
213.16377	8.4
221.18936	2.6
227.18062	2.5
229.17825	3.8
257.22690	2.3
263.23151	2.0
269.22589	8.2
275.23663	7.4
287.23773	9.8
293.24689	11.0
305.24814	16.9
311.25726	2.8
315.19427	2.1
323.25848	16.7
341.26947	11.4
359.27905	12.4
391.27808	1.9
465.34561	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	539.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.6
53.03949	13.3
55.01874	13.5
55.05518	11.8
57.03447	9.1
57.07064	5.2
57.07702	1.3
57.87086	1.4
60.54678	1.5
61.02926	7.2
65.03943	2.2
67.05507	22.4
68.99779	5.5
69.03434	58.3
69.07069	17.6
69.27128	13.3
71.04993	7.3
73.02917	9.3
79.05504	17.7
80.92307	1.5
81.03425	55.3
81.07060	68.4
83.04969	4.3
83.08619	5.9
85.02910	100.0
85.06555	13.2
87.00835	35.4
91.03939	2.2
91.05476	17.2
93.07050	27.6
95.04958	5.9
95.08610	42.6
97.02898	33.8
97.06503	2.4
97.10156	4.8
98.21524	2.6
99.04460	23.2
99.08123	7.9
103.03927	3.9
105.01871	26.9
105.07027	20.7
107.07883	1.5
107.08597	27.7
109.02884	45.5
109.06529	4.8
109.10162	30.2
111.04479	2.9
111.08081	4.1
111.11707	2.2
113.09658	3.4
115.03899	3.8
117.01849	4.3
117.07014	3.3
119.08576	19.6
121.06554	3.1
121.10157	23.3
123.08057	3.5
123.11712	15.3
125.09595	2.2
127.03925	88.0
129.01836	4.7
129.06975	2.4
131.08603	7.7
133.06471	1.9
133.10133	12.3
134.47307	1.4
135.08014	2.0
135.11707	17.5
137.05963	6.7
137.13263	3.9
138.09102	1.8
143.08542	5.2
145.04965	28.5
145.10162	8.3
147.02893	5.7
147.11691	10.9
149.09612	2.3
149.13272	24.5
151.07562	1.7
153.12692	1.7
157.10100	3.3
159.02907	25.6
159.04128	3.0
159.11765	8.3
161.13272	9.8
163.07658	1.5
163.11235	3.0
163.14832	15.1
166.08627	4.5
169.10173	3.1
171.02844	1.8
171.11687	4.6
173.13336	7.8
175.11211	2.4
175.14784	6.1
177.12851	2.2
177.16403	4.9
181.15877	1.6
183.11754	2.3
185.09570	2.8
185.13324	3.3
187.14795	5.3
189.04001	3.0
189.12767	1.7
189.16393	3.9
191.17921	4.4
195.17299	1.4
199.14879	2.0
201.12750	2.0
201.16434	2.6
203.17857	2.8
207.17509	1.6
209.19019	1.9
213.03899	3.9
213.16388	1.7
215.17941	2.3
217.19437	3.5
231.05023	17.6
235.20642	2.9
255.17387	1.9
271.24194	2.8
273.18549	2.7
273.25793	3.0
289.25287	7.3
291.26868	25.8
301.25333	2.5
303.26791	3.9
309.27863	2.4
315.26855	3.4
333.27902	2.6
357.28094	1.8
374.13162	1.4
375.29358	1.7
381.27786	6.7
399.28860	6.8
408.32904	1.5
417.30170	1.8
420.38635	1.7
485.28870	2.6
503.30176	7.7
521.30957	4.8
539.20917	2.4
539.31439	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	539.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.0
53.03950	14.4
55.01873	8.9
55.05511	22.4
56.96554	1.8
57.03439	8.4
57.07085	11.1
58.66978	1.7
58.95753	1.9
61.02913	5.2
62.18958	1.4
65.03940	2.6
67.05169	2.3
67.05505	35.9
68.99799	8.3
69.03432	65.9
69.06730	2.7
69.07072	41.8
71.01325	2.7
71.05005	9.5
71.08627	5.5
71.09061	2.3
71.09410	2.6
73.02917	7.7
79.05492	29.1
81.03422	78.5
81.07058	82.7
83.04971	7.8
83.08627	19.1
85.02908	77.3
85.06534	6.3
85.10172	3.2
87.00832	29.9
87.04476	2.6
87.48663	1.6
91.05481	22.6
93.07047	54.2
95.04974	14.0
95.08607	84.8
97.02894	32.7
97.06518	2.8
97.10171	13.4
99.04462	24.3
99.08080	2.8
101.02387	2.0
103.03934	3.2
105.01873	20.3
105.03360	2.1
105.07034	30.9
107.04942	5.7
107.08601	47.1
107.19329	1.8
109.02881	64.6
109.06486	7.7
109.10156	41.8
110.09718	2.5
111.04456	11.4
111.08059	3.8
111.11729	11.2
115.03905	5.9
117.01825	2.1
117.07000	5.9
119.08585	25.0
120.08080	3.0
121.06458	5.5
121.09318	2.2
121.10146	31.9
123.04407	4.6
123.08086	4.3
123.11713	21.4
125.05959	1.8
125.13249	1.8
127.03917	100.0
128.06146	2.3
129.01820	4.1
129.05467	3.8
129.07010	3.5
131.08586	10.5
133.06461	2.4
133.10141	22.9
135.08034	3.5
135.11713	23.0
137.05963	5.1
137.09592	2.4
137.13272	8.4
138.09175	1.7
139.03882	1.9
143.03444	2.7
143.08543	7.1
145.04948	17.9
145.10133	12.9
147.02870	5.0
147.07976	3.6
147.11688	18.8
149.09650	2.7
149.13268	32.8
151.07547	4.2
151.14781	4.2
155.08539	3.8
157.10133	7.3
159.02864	16.6
159.08006	2.8
159.11678	10.4
161.09601	5.2
161.13234	9.5
163.11227	2.4
163.14838	13.5
165.12737	3.8
165.16376	2.4
166.08623	3.5
169.04990	2.9
171.11659	5.3
173.13185	5.7
175.11130	2.7
175.14821	6.1
177.05502	2.3
177.16376	3.5
183.11635	3.0
185.04143	1.5
185.13263	3.8
187.11143	2.2
187.14857	3.9
189.03941	3.3
189.09085	1.7
189.12770	7.4
189.16383	4.8
191.14317	2.1
191.17912	2.8
199.14874	2.3
201.12697	2.0
203.17953	4.1
209.87245	1.7
213.03912	10.1
213.12834	2.5
213.16229	2.9
215.14250	2.9
217.19514	3.9
231.04999	16.5
247.24216	4.1
252.08621	2.4
265.09540	3.4
266.10031	5.4
273.05957	1.7
273.18433	2.6
273.25787	20.8
279.07666	3.8
280.08047	5.7
289.25226	6.7
291.26840	23.1
293.09122	3.3
294.09579	5.9
303.26721	4.7
309.27869	6.1
315.26965	2.2
321.08304	2.4
329.06448	3.1
331.26270	1.8
333.27878	4.2
338.08728	3.6
339.09204	5.0
353.11234	6.4
353.28506	1.8
354.11676	9.1
357.27795	4.4
365.06348	1.7
371.29153	2.7
374.14310	3.8
381.27774	6.4
386.14108	3.3
399.28848	9.9
403.11676	6.3
417.29840	10.2
435.30890	5.3
485.28699	3.3
503.29956	9.0
507.19449	8.8
521.31000	10.3
539.22052	27.7
539.31989	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	539.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24458	1.6
53.03951	13.5
55.01877	9.9
55.05512	20.0
57.03432	9.2
57.07070	6.3
60.99137	1.7
61.02932	5.7
62.39279	1.4
65.03957	2.8
67.05510	25.7
68.99792	5.4
69.03071	3.4
69.03434	54.9
69.06708	3.0
69.07066	24.8
69.42644	10.8
69.43044	3.3
69.43371	1.9
71.04993	9.2
71.08633	5.7
73.02916	7.8
75.17678	1.8
79.05502	21.0
81.03419	55.8
81.06580	2.8
81.07060	54.0
83.01364	1.8
83.04986	8.3
83.08622	13.6
85.02911	78.1
85.06553	7.6
87.00837	34.5
87.04446	1.7
91.03973	2.2
91.05476	18.9
93.07053	43.9
95.04984	10.7
95.08037	3.5
95.08613	44.3
96.08135	2.4
97.02898	31.0
97.06532	6.6
97.10171	7.3
98.97586	2.4
99.04464	20.9
99.08093	3.5
103.03934	4.9
103.05453	3.2
105.01887	17.4
105.03421	2.8
105.07037	30.2
107.04935	4.0
107.08600	30.5
109.02886	51.6
109.06526	9.8
109.10163	23.6
111.04462	9.9
111.08086	48.8
111.11697	3.0
115.03932	2.5
117.01861	6.0
117.07018	6.8
118.10165	1.5
119.08597	23.4
121.06500	8.3
121.10140	25.0
122.07281	2.1
123.04430	5.8
123.08072	11.2
123.11700	9.9
125.09660	2.1
127.03926	83.8
129.01854	5.4
129.06998	3.3
131.04939	2.0
131.08566	11.0
133.06490	2.3
133.10156	18.3
135.08049	12.2
135.11703	17.7
137.05957	4.5
137.09677	5.2
137.13264	5.0
138.55681	1.9
139.09488	2.3
141.07048	1.7
142.07837	1.9
143.08563	6.3
145.04967	19.0
145.06502	3.9
145.10123	14.2
147.02893	4.3
147.08087	5.3
147.11711	17.4
149.09631	4.6
149.13280	23.9
151.07542	33.7
151.11188	2.3
151.14818	2.2
153.05473	3.2
155.08594	2.9
156.09319	1.8
157.10112	6.6
159.02881	16.2
159.08060	6.8
159.11693	8.7
161.05959	1.7
161.09660	4.1
161.13248	8.7
163.07535	2.3
163.11201	11.3
163.14813	5.5
165.09160	2.7
165.12802	2.4
166.08653	3.5
167.08386	2.1
170.15413	3.8
171.11687	9.5
173.09712	3.0
173.13289	5.7
174.10423	6.2
175.11220	7.1
175.14861	3.9
177.04005	2.2
177.05412	2.4
177.16441	2.0
179.07048	3.5
179.10681	5.7
179.18011	2.1
181.12256	2.5
183.11757	3.5
185.13170	2.3
187.06126	2.0
187.11139	3.6
187.14767	1.9
189.03960	3.9
189.12756	100.0
191.07088	2.1
191.14236	2.8
191.18114	1.7
197.11713	6.5
197.13333	5.3
198.12012	1.7
198.14882	2.9
199.11192	2.8
199.14870	2.2
205.12328	3.0
207.13815	31.8
209.13332	2.4
213.03978	6.0
213.16405	2.0
215.14417	3.8
217.12273	2.5
231.05089	14.2
231.17474	4.3
235.13284	2.2
239.11911	2.2
255.17429	2.5
257.96423	1.7
258.04858	1.8
269.04456	5.3
273.18515	27.5
273.25659	9.4
277.25351	2.1
287.05423	3.1
289.06003	2.2
289.25241	4.8
290.51904	1.7
291.19531	11.5
291.26837	13.5
309.27921	3.7
313.06903	2.0
314.04199	4.2
315.27017	2.4
329.06537	14.0
333.27863	3.4
381.28003	4.0
399.29062	7.0
403.21646	1.8
417.29727	4.4
435.30957	3.0
455.19293	15.7
477.24387	2.9
503.30035	4.1
509.14728	2.4
521.13788	2.2
521.30750	7.9
532.00006	2.0
539.24860	33.6
539.33081	2.2
539.40741	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.8
54.12648	0.4
56.04999	1.3
57.03413	0.6
57.05815	0.5
60.05622	1.4
69.03392	1.4
69.56977	0.8
69.57396	2.1
70.06557	1.3
72.08149	0.5
79.05475	0.7
81.03391	1.7
81.07038	0.7
83.06057	1.4
85.02873	1.9
91.05464	0.8
95.04925	0.5
97.02850	1.0
97.07653	0.5
105.03381	1.1
105.05765	0.8
106.06515	1.0
109.02840	0.8
110.07154	0.6
111.05576	5.6
113.07106	1.6
118.06528	0.4
120.04475	10.3
123.05601	0.7
126.06642	6.9
127.03923	0.6
127.07397	0.9
132.04456	16.5
133.05252	0.9
134.06026	6.0
137.04636	1.4
140.08153	0.7
145.03914	0.6
146.02333	0.9
150.05453	0.8
151.03958	0.4
151.06154	6.1
168.08755	1.8
181.08853	0.4
185.07095	0.6
187.07283	0.5
187.08765	0.7
202.09753	10.8
203.08141	1.0
205.24094	0.5
207.51694	0.4
215.08238	0.9
216.11391	2.6
230.09241	7.4
231.07655	3.1
231.12462	0.9
232.10878	3.1
242.09265	2.6
246.08910	0.7
257.10403	4.7
259.11914	67.4
260.10144	0.7
271.10803	0.5
277.12976	9.4
284.11429	5.0
301.13931	1.4
302.12476	25.3
319.14151	0.7
403.16278	1.1
421.17239	6.1
428.15732	0.8
463.19299	4.9
471.13983	0.6
489.15042	1.0
497.22443	10.1
503.16275	0.8
521.17535	0.7
539.24640	100.0
540.25433	2.2
556.20624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
58.86536	0.5
70.05667	1.1
70.06070	1.1
79.05483	2.4
79.52077	0.6
91.05444	1.6
93.07026	1.0
95.01302	0.7
95.04939	1.0
103.05435	1.6
105.03353	1.0
105.07038	3.5
107.04291	0.7
107.04960	8.6
107.08565	0.6
115.05436	1.5
118.04108	0.5
119.04876	0.7
121.06546	2.7
123.00787	2.9
123.04406	1.8
128.06178	0.8
129.07062	0.6
131.04039	0.8
131.04939	11.2
133.06506	3.3
134.03651	1.3
135.04376	1.8
135.05428	0.9
137.02249	0.5
137.05978	9.7
143.08557	0.5
149.05919	0.9
152.01036	4.3
152.06207	0.7
156.05733	1.0
161.06003	5.0
167.08571	1.0
168.05698	1.6
169.06520	0.6
170.02087	1.0
171.08058	9.8
181.06517	1.3
183.08029	2.8
184.05164	2.0
195.04474	0.9
195.08089	1.6
196.05243	0.9
197.06004	0.6
199.07463	1.1
203.07164	0.6
207.08087	0.7
209.05971	3.1
211.07501	2.4
212.04736	1.3
212.08255	1.3
213.05487	0.6
214.06293	0.6
223.07547	1.7
224.08372	1.2
225.05238	0.7
229.08626	5.1
237.09184	1.7
238.09850	0.9
239.03482	0.8
239.07085	1.4
239.10770	0.7
240.04131	1.7
240.07794	2.2
242.05687	0.9
252.04245	1.2
253.05019	0.8
255.06531	100.0
256.06946	1.7
269.04391	1.5
270.05234	2.3
283.06021	45.0
284.06769	3.2
285.07581	33.7
286.07889	0.8
299.09091	1.4
403.11816	10.5
415.11798	0.6
433.12851	11.0
521.15985	12.9
539.17047	81.8
540.17261	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1707
Annotation	Agrostonidin
Peak:m/z	Relative Intensity
55.01846	0.8
67.05457	0.6
71.57678	0.7
79.05471	1.4
80.54960	0.5
91.05489	2.6
93.07085	1.2
95.04939	1.5
103.05438	1.7
105.03369	0.7
105.07030	3.8
107.04966	9.2
107.08553	0.8
115.05434	1.1
117.07031	0.5
118.04144	0.7
119.01332	0.5
119.04900	0.6
119.08558	0.6
121.06482	2.2
123.00793	3.1
123.04405	1.6
125.05965	1.3
128.06206	1.4
131.04015	1.0
131.04929	12.1
132.05702	1.2
133.06502	3.2
134.03629	0.6
135.04410	1.9
135.05461	0.5
137.05008	0.7
137.05984	11.5
141.07011	1.0
145.06500	0.5
149.02272	0.7
149.05981	1.4
151.03899	0.8
152.01079	3.1
152.06183	0.6
153.01781	1.1
153.06992	1.2
155.08505	0.6
156.05647	0.9
161.06009	5.8
165.06950	0.7
167.08577	1.0
168.05739	1.6
170.02104	0.9
171.08064	9.7
177.07025	0.7
181.06477	1.2
183.08057	3.8
184.05170	1.6
184.08698	0.6
191.48737	0.5
194.07239	0.7
195.08081	1.4
196.05096	0.6
197.05957	1.1
199.07613	0.8
203.07050	2.3
207.08098	0.7
209.06023	3.8
211.07561	2.7
212.04709	0.9
212.08310	0.8
213.05524	0.7
223.07541	2.3
224.08307	2.0
225.05424	0.8
227.10544	0.6
229.08629	6.1
237.09174	2.0
238.09708	0.8
239.03221	0.8
239.07019	2.1
239.10680	1.6
240.04317	1.4
240.07758	2.0
242.05602	0.6
253.04961	0.9
255.06534	100.0
256.07056	1.6
269.04391	1.2
269.07968	0.8
270.05350	1.2
283.06027	43.6
284.06781	3.5
285.07587	36.0
286.08163	0.6
299.08932	1.0
332.65591	0.5
403.11780	10.4
404.61563	0.5
415.11978	1.4
433.12878	7.9
521.08575	0.9
521.16016	12.0
539.17041	83.1
540.17389	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34798	0.3
59.31321	0.3
69.03403	0.5
69.70737	0.8
69.71156	1.2
71.86359	0.4
90.72080	0.3
91.05479	1.3
97.02888	0.5
103.05420	0.5
107.04943	0.8
117.07060	0.4
119.04957	0.9
119.65141	0.3
121.06533	2.1
133.06496	0.5
134.07262	0.5
135.08051	1.9
137.05959	0.5
138.06723	0.4
145.06558	0.5
146.07230	0.8
147.04436	1.8
147.08041	1.5
148.05223	0.5
149.05972	1.0
149.09579	0.5
150.07597	0.5
151.07545	3.7
153.05476	2.6
161.05920	0.5
162.06709	2.4
163.07545	3.5
165.05449	2.3
166.06290	4.0
168.07825	7.4
169.08598	0.4
177.09135	3.7
178.09895	10.8
179.07047	4.0
179.10654	0.5
181.08595	16.5
194.09384	13.6
209.11726	100.0
210.12082	1.9
365.81750	0.4
395.61472	0.3
413.15515	0.4
428.79251	0.4
477.74258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1554
Annotation	Didmolamide A
Peak:m/z	Relative Intensity
53.03927	0.8
55.01868	1.1
67.05500	0.9
69.03427	2.1
69.07065	0.8
71.01441	1.2
71.08626	0.6
79.05473	0.9
81.03413	1.5
81.07053	1.7
85.02908	1.9
87.00835	0.8
89.03908	0.7
91.05482	3.5
93.07043	2.3
95.04945	1.0
95.08595	1.2
97.02857	0.8
103.05465	2.9
105.03412	1.0
105.07044	2.7
106.04154	0.7
107.01330	0.7
107.04949	1.1
107.08590	0.9
109.02882	1.5
109.06533	0.6
109.10154	1.0
111.08089	1.0
117.03380	1.5
118.04152	2.0
119.04982	1.0
119.08575	1.3
121.06519	3.6
121.10124	1.2
123.04395	0.7
126.47030	0.5
127.03913	1.6
129.07002	1.4
130.04155	0.7
131.04962	3.3
132.05701	1.1
133.02885	0.7
133.06490	1.0
133.10130	0.9
134.03642	3.7
135.04460	0.7
135.08000	0.7
135.11719	0.6
137.06042	0.5
142.04155	2.0
145.02844	0.6
145.06535	0.8
145.10066	0.6
147.04437	1.5
147.11656	0.7
148.05231	1.5
149.06003	3.2
151.03963	0.7
151.07542	1.5
153.01836	5.5
157.06525	1.4
159.04347	2.4
161.02350	1.6
161.05966	2.6
163.03902	1.1
163.07536	0.6
167.07040	1.4
169.06435	0.6
170.03621	3.9
171.02962	1.1
171.04395	1.4
173.05954	0.8
174.06772	2.1
175.03850	0.9
175.11362	0.6
176.04681	1.6
177.05470	3.5
178.06293	0.6
180.07784	0.6
182.02130	1.9
184.05194	1.0
185.05960	4.2
187.03935	3.3
189.12723	1.9
191.07053	2.9
192.07854	1.9
193.08592	1.8
198.01579	0.8
198.03154	3.3
199.03909	2.2
200.03145	1.3
202.06253	4.2
203.07039	0.7
207.13893	1.2
210.08968	0.5
211.03992	0.6
212.04709	2.1
213.05457	5.2
214.06252	0.7
215.03372	3.5
217.08539	4.3
226.02635	1.2
229.12245	0.6
230.05745	11.1
241.04968	5.2
243.02977	2.7
245.08357	0.7
253.04755	1.2
255.06596	1.0
255.11679	0.5
256.07266	1.3
257.04510	0.7
258.05212	5.8
260.06836	0.7
269.04446	4.5
271.02374	2.0
271.05939	1.3
272.06882	0.6
273.07562	8.1
275.09106	0.7
284.03278	0.6
284.06827	1.7
285.03989	1.4
285.07413	0.8
286.04715	14.8
287.05490	0.8
297.03998	1.0
298.04822	0.7
299.05515	1.6
300.06335	0.8
301.07077	77.0
302.07425	1.5
312.06268	2.0
313.07037	2.1
314.04123	2.9
315.08667	1.0
316.05774	4.1
327.08652	1.4
329.06561	100.0
330.07166	3.7
331.08179	12.0
368.60785	0.6
495.20554	1.1
509.14417	6.8
521.14484	43.0
522.14752	1.3
539.15442	60.6
540.15802	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	538.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
60.07703	1.2
61.02923	1.6
65.03926	1.6
69.03426	3.4
69.07057	1.4
69.34148	8.3
69.34548	2.1
70.06562	1.3
71.04990	1.9
79.05505	2.6
81.03419	4.2
81.07088	2.1
82.06614	1.8
85.02911	9.9
88.06184	1.2
91.04041	1.2
91.05488	3.3
93.03442	1.5
93.07037	4.3
94.04192	2.6
94.06578	6.7
95.04933	1.5
95.07343	4.0
96.08137	9.8
97.02888	3.0
103.05481	2.1
105.07066	1.6
108.08147	6.9
109.02901	1.6
109.06525	1.7
109.10162	1.5
110.09686	17.6
110.10394	2.0
111.04466	1.5
115.05471	5.1
116.05019	2.1
117.06990	1.7
120.04465	4.4
120.08112	12.2
121.10178	1.8
122.03694	2.7
122.06057	1.7
124.07570	1.3
125.06033	1.3
127.03937	3.9
128.06174	1.4
129.06998	6.8
131.04890	2.1
136.07594	5.6
137.05991	83.7
138.05479	3.1
138.09154	23.4
143.04921	9.4
144.04463	7.0
144.05621	2.8
145.04965	2.9
145.06520	2.5
146.05989	2.9
148.07582	5.1
151.03946	1.2
151.07497	1.5
153.05447	3.2
157.06508	5.0
160.05205	16.5
161.06003	2.9
162.05536	2.5
163.07512	3.2
166.04996	2.2
166.08659	46.6
172.03944	37.1
172.05228	1.9
174.06808	1.5
175.07561	100.0
187.07553	38.5
189.09090	6.1
190.05019	8.7
203.08502	1.5
204.06578	46.0
205.06807	2.5
205.08620	24.8
209.10741	1.9
210.11858	1.2
211.07523	1.3
217.08595	2.3
222.09508	1.7
224.09378	2.1
225.10191	3.1
231.08142	2.0
235.09708	18.6
236.09782	1.7
237.10228	8.2
239.07137	1.3
239.11749	2.2
241.09721	1.9
251.12068	2.2
252.09200	1.8
253.09721	2.1
255.11314	1.7
257.13025	1.3
265.09830	10.8
266.10443	2.0
270.08777	2.0
271.09952	4.4
273.12378	3.3
279.11234	5.5
281.12674	2.9
283.10672	2.2
289.09692	1.8
291.10178	6.9
293.09247	9.2
297.12286	4.0
299.10489	1.5
307.10727	3.3
311.12979	2.2
312.11035	1.7
313.11871	5.9
323.12860	6.3
325.11874	7.6
335.10355	3.2
339.13290	1.4
341.10870	15.7
353.11359	10.8
357.14474	8.5
385.13916	5.0
452.78943	1.4
460.18753	3.0
465.18945	2.2
478.19632	5.4
488.18381	9.2
506.19315	24.4
520.20758	3.6
538.20795	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	538.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
67.05489	1.3
69.03429	1.4
69.07092	1.0
71.04981	1.3
71.58311	0.7
79.05493	1.8
80.05016	1.3
81.03416	1.3
81.07058	1.8
85.02918	2.4
91.03939	0.8
91.05478	3.5
93.07053	5.0
94.06569	4.8
95.04949	0.8
95.07365	4.6
95.08590	2.9
95.95936	0.8
96.08131	9.5
97.02910	1.4
105.06982	0.8
108.08115	6.5
109.10142	0.9
110.09689	14.1
119.05037	0.8
120.08114	9.1
121.10127	1.1
122.06032	2.5
124.07611	1.2
127.03900	0.8
136.07594	4.6
137.05965	3.9
138.09131	18.0
148.07591	3.1
152.07120	0.9
157.18446	0.7
165.79990	0.8
166.08649	21.8
167.07112	0.9
174.80246	0.8
204.06589	1.1
209.07346	0.8
209.10736	1.0
209.13289	0.9
221.10762	0.9
222.07944	1.0
223.08687	3.3
224.09526	1.1
225.10393	1.3
235.08649	1.5
236.09462	4.4
237.06528	1.3
237.10239	9.6
238.11188	1.6
239.08182	1.5
249.10321	3.0
250.07373	1.4
251.08136	10.9
251.11929	1.1
252.09027	1.5
253.09665	6.2
255.06360	0.8
255.11324	1.9
262.82181	0.8
263.08249	1.7
264.08932	9.4
265.06534	1.1
265.09711	27.6
266.07404	1.1
266.10474	8.4
267.11322	3.3
269.09326	2.0
275.08289	2.1
277.09808	2.5
278.10376	0.9
279.07690	25.6
279.11307	4.3
280.08499	6.5
280.11325	1.3
281.09210	4.8
281.12833	3.3
282.07236	0.9
282.10095	2.9
283.10773	2.1
291.07751	1.8
291.11523	0.9
292.08377	7.4
293.09210	28.5
294.10019	12.1
295.10846	2.6
297.12326	2.1
299.05438	1.1
299.10248	2.1
301.11899	2.7
303.07657	1.3
307.10809	7.6
309.12259	9.8
310.09372	4.4
311.10248	2.6
312.11557	0.9
313.11972	2.7
320.07910	5.7
321.08191	0.9
323.10471	1.6
325.11771	7.3
332.13821	0.9
335.10300	8.5
337.07813	1.0
338.08978	23.4
338.12888	1.7
339.09741	1.0
341.11374	5.5
353.11316	60.9
367.12900	1.4
370.11957	1.1
373.13962	14.4
385.13962	19.1
462.20135	1.4
478.20078	1.9
488.18234	2.9
506.19226	41.4
507.20016	1.5
510.22293	2.2
520.13318	1.3
520.21106	3.3
538.21869	100.0
539.22009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17257	0.9
53.03942	1.7
65.03933	1.2
67.05485	1.6
69.03444	1.8
69.07058	1.6
69.42183	7.0
79.05493	4.5
81.03413	1.2
81.05780	1.2
82.06574	3.2
84.04505	2.2
85.02882	2.1
91.05467	3.5
93.05795	1.6
93.07069	7.2
94.06575	13.0
95.05001	1.3
95.07361	11.0
95.08629	1.4
96.08131	22.6
96.47024	0.9
97.06550	2.5
103.05492	1.6
105.03408	2.5
106.06526	1.0
108.08117	18.7
109.08879	1.3
110.06058	1.3
110.09688	36.0
116.04994	5.2
118.06581	1.5
118.67206	1.0
119.24844	1.2
120.04488	5.0
120.08114	24.9
121.06490	2.8
122.06041	4.9
124.07600	8.6
134.06044	2.7
136.07584	11.8
138.05478	3.4
138.09145	49.9
138.10214	2.4
144.04472	7.5
146.05983	5.4
148.03900	1.0
148.07559	9.0
148.09737	1.0
150.05510	3.3
152.07103	1.6
160.03960	1.9
161.90813	1.1
162.05521	3.6
164.07094	1.3
166.04988	4.7
166.08647	100.0
169.08684	0.9
172.03946	33.5
174.05496	1.9
178.04933	1.8
180.06586	1.3
184.10016	1.0
188.07013	1.2
190.05023	13.9
192.06621	1.3
197.10762	1.6
204.06561	12.0
206.67285	1.0
209.10736	3.2
210.11549	2.0
211.08664	1.8
211.12355	1.5
212.09427	5.3
213.10175	1.7
216.06567	1.3
222.07922	2.4
222.11571	1.3
223.08705	2.6
223.12521	1.2
224.09424	4.3
225.10217	7.5
226.11024	1.6
227.11797	2.3
235.08656	2.2
236.09528	2.9
237.10236	17.7
238.10994	2.4
239.08150	4.8
239.11877	5.2
241.09738	3.7
245.12758	1.4
247.14514	1.2
248.09506	1.4
249.10117	1.5
250.07417	1.3
251.08220	4.0
251.11850	9.4
252.09047	3.3
252.12375	1.6
253.09718	10.0
254.10405	1.1
255.11330	3.4
263.11865	1.9
264.08920	2.4
265.09753	29.0
266.10544	4.5
267.11295	4.6
268.08411	1.2
269.12689	1.6
271.10834	3.9
273.12283	6.6
277.09796	1.6
278.06616	8.5
278.09277	1.0
278.10428	0.9
279.11307	10.9
280.08569	2.8
281.09244	6.5
281.12674	1.8
283.10760	8.9
285.12479	2.2
287.05487	2.6
287.10400	1.4
288.05768	3.9
289.09686	2.0
291.11322	1.4
292.08029	2.5
293.09216	27.6
294.09888	5.5
295.10815	4.8
296.11694	1.1
297.12375	8.9
299.10245	2.7
300.11066	2.2
307.10822	3.8
307.84732	1.1
309.12292	4.6
311.10214	3.8
312.11127	4.5
313.11768	7.8
321.08646	1.7
323.10315	1.8
325.07983	1.4
325.11838	23.7
327.13422	1.5
335.10144	8.5
340.10587	2.4
341.11343	35.4
341.15460	2.0
353.11304	29.2
357.14246	2.3
373.13965	16.6
385.13974	8.2
400.16772	1.3
406.17389	1.6
418.18085	1.2
437.18967	2.3
446.17154	1.7
460.18597	5.2
462.20291	1.5
465.18924	10.5
478.19644	13.9
488.18201	13.2
506.19247	63.3
520.20642	3.6
538.22101	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	538.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32081	0.6
53.03939	1.2
57.24974	0.7
58.21618	0.6
58.78862	0.7
59.02570	0.6
59.91541	0.6
65.03933	1.4
67.05505	1.6
69.03433	1.5
69.07076	1.0
71.04989	0.8
71.37110	0.9
79.05486	3.5
80.05000	1.9
81.03409	1.1
81.05785	0.9
81.07040	1.7
82.06572	2.3
85.02900	3.5
85.06535	0.9
89.03897	1.0
91.05499	4.6
92.05024	0.7
93.05807	0.9
93.07035	9.7
94.06566	10.5
95.04961	1.7
95.07353	9.2
95.08582	1.5
95.22176	0.7
96.08129	21.0
97.02885	1.1
97.06540	1.7
103.05462	2.3
105.07021	1.3
106.06544	1.6
107.07333	0.7
107.08602	0.9
108.04467	1.0
108.08116	15.7
109.08910	2.2
109.10152	1.7
110.09682	36.3
115.49262	0.6
116.04973	4.7
118.06503	2.2
119.07357	0.7
120.04459	7.3
120.08107	23.8
121.06512	1.3
121.10159	1.7
122.06028	5.5
123.06797	2.1
124.07604	7.5
127.03899	1.3
127.11186	1.3
133.10139	1.6
134.06018	1.9
136.07570	9.4
137.05946	0.9
138.05545	5.9
138.09142	49.5
144.04436	10.1
145.05016	1.0
145.10152	0.8
146.06009	5.8
147.11671	0.7
148.03903	2.0
148.07561	8.1
150.05482	3.0
151.11185	1.0
152.07074	2.5
158.06168	0.6
160.03917	2.3
162.05540	4.7
164.07050	1.6
165.09312	0.6
166.05006	5.5
166.08641	100.0
172.03935	38.7
174.05499	1.8
178.05029	1.5
180.06532	1.0
184.09970	1.6
186.05472	0.7
188.07069	1.0
190.04987	20.5
192.06543	1.3
195.09166	1.2
196.10019	1.2
197.10760	2.9
198.11525	1.5
204.06573	18.1
208.09912	0.9
209.10782	2.6
209.15190	0.7
210.09267	0.9
210.11476	1.7
211.08687	1.6
211.12259	1.2
212.09447	3.9
213.10223	2.5
216.06540	1.3
220.07774	0.9
220.09804	0.6
222.07899	2.0
222.11543	1.7
223.08650	2.5
223.12234	1.6
224.09361	4.5
225.10220	5.9
226.11069	1.3
227.11842	2.0
233.11003	0.7
234.11566	0.7
235.08681	1.7
236.09483	2.8
237.10211	16.5
237.18515	2.5
238.10989	3.7
239.08202	2.8
239.11766	5.8
241.09747	5.3
245.12987	0.9
247.14522	1.4
249.10185	2.3
250.07281	1.9
250.11044	1.3
251.08165	3.4
251.11812	10.5
252.08913	2.6
252.12616	1.8
253.09724	8.7
253.13480	1.4
255.11327	3.3
260.05954	0.7
261.10229	0.8
262.11078	1.1
263.11777	2.5
264.08957	2.2
265.09717	23.9
266.10434	3.5
267.11279	5.5
268.08411	1.0
269.09665	1.0
269.12708	1.2
271.10736	3.7
273.12372	6.6
278.06625	8.9
279.11279	12.7
280.08517	2.6
280.11600	0.7
281.09229	2.4
281.12866	3.6
283.10767	6.8
285.12469	2.4
287.05585	0.9
288.05814	1.1
289.06033	0.8
289.09491	0.9
291.10977	0.9
292.08319	1.3
293.09204	27.2
294.09958	4.1
295.10825	2.5
297.12326	8.0
299.10226	3.4
299.13721	1.3
300.11057	2.5
307.10815	5.3
309.12250	4.5
311.10233	3.5
312.10999	4.8
313.11877	6.0
323.10318	2.1
324.11182	0.8
325.07941	1.3
325.11813	22.9
326.12167	1.0
327.13254	1.4
330.16263	0.7
335.10291	9.5
339.09604	1.2
339.13428	1.0
340.10605	4.3
341.11334	31.6
343.12994	1.3
344.13843	1.0
353.11319	24.4
353.15695	1.3
357.14554	3.1
360.17007	0.7
371.12314	0.9
373.14014	4.1
385.13895	5.3
390.18234	1.0
406.17435	0.8
418.17642	1.7
432.19479	0.9
438.20563	0.7
442.17847	1.0
444.19055	0.8
450.16940	0.7
460.18784	5.9
462.20071	0.7
464.18423	1.4
465.19052	11.9
470.17435	1.0
478.19763	8.8
488.18222	13.8
492.20697	0.8
506.19269	63.6
520.20465	1.6
538.21576	3.5
538.29907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56752	0.3
53.03943	0.8
55.01853	0.5
55.05503	0.5
62.84068	0.3
65.03936	1.4
67.05492	1.2
68.05010	0.5
69.03428	0.6
69.07053	0.6
70.78767	0.4
70.79100	0.6
77.03916	0.4
79.05499	3.2
80.05007	1.5
81.03406	0.9
81.05797	1.4
81.07042	1.0
82.06591	2.6
85.02896	1.0
89.03907	1.1
91.05479	3.6
92.05009	1.2
93.05793	0.9
93.07043	8.5
94.06572	11.2
95.04959	0.8
95.07354	9.1
95.08612	1.2
96.08132	19.4
97.02866	0.4
97.06542	1.7
103.05463	1.5
105.04502	0.4
106.06554	0.8
107.07327	0.9
107.08565	0.5
108.04498	0.8
108.08125	15.8
109.08901	1.2
110.06032	0.6
110.09685	35.0
116.04984	5.0
118.06570	1.6
119.07370	0.3
120.04472	6.4
120.08110	25.1
121.06507	1.4
122.06027	5.3
122.09660	1.8
123.06851	1.6
124.07600	8.2
127.03975	0.4
130.06500	0.4
132.08078	0.7
134.06017	2.1
135.11667	0.6
136.06522	0.4
136.06728	0.2
136.07578	9.8
138.05527	5.2
138.09143	49.1
139.09584	0.4
144.04453	9.3
144.08044	0.4
146.06012	7.0
148.03969	1.6
148.07578	8.3
150.05489	2.5
150.09157	0.9
152.07060	1.9
154.08632	0.4
155.94817	0.3
158.06065	0.6
160.03949	2.2
160.07593	0.4
162.05510	4.3
164.07042	1.8
166.05013	5.4
166.08643	100.0
167.07393	0.4
167.08983	0.6
172.03937	36.8
173.04347	0.7
174.05527	2.1
176.07106	0.4
178.05025	1.3
180.06549	0.7
181.08894	0.5
182.09769	0.7
183.09300	0.5
184.09995	1.3
185.10725	0.5
188.03447	0.4
188.07095	1.1
190.04993	16.9
192.06592	1.2
194.08266	0.7
194.09888	0.5
195.09164	1.3
196.07715	0.4
196.09990	1.3
197.10735	1.9
198.07751	0.4
198.09512	0.4
198.11497	0.7
199.12381	0.6
204.06569	14.6
206.08157	0.5
207.09099	0.6
208.09981	0.4
209.10721	2.5
210.09285	0.5
210.11461	0.7
211.08673	1.7
211.12346	1.5
212.09412	4.3
213.10205	2.0
216.06595	1.7
218.04550	1.0
219.09190	0.7
220.09953	0.6
221.10793	0.8
222.07910	1.2
222.11459	2.2
223.08681	2.1
223.12273	1.1
224.09396	3.3
225.10237	5.6
226.11052	1.2
227.08249	0.5
227.11790	3.0
234.09247	0.6
234.11394	0.4
235.08617	1.7
236.09340	3.8
237.10233	16.0
238.10979	3.3
239.08153	2.7
239.11801	5.1
240.08859	0.8
241.09743	4.7
245.12975	0.9
247.14473	1.3
248.09511	0.7
249.10176	2.4
250.07228	1.9
250.11116	1.6
251.08138	3.2
251.11815	10.4
252.08907	2.5
252.12642	1.3
253.09724	9.0
253.13428	0.9
254.10420	0.6
255.11266	2.8
257.12933	0.6
261.10266	0.8
262.11212	0.4
263.08139	0.7
263.11807	2.2
264.08844	2.0
265.09732	23.2
266.10443	3.5
267.11310	5.1
268.08344	0.7
269.12881	1.2
271.10754	4.1
273.12363	6.7
277.09854	0.5
278.06607	10.3
278.09875	0.7
278.97275	0.3
279.08099	0.5
279.11279	11.6
280.08511	2.8
280.12106	1.1
281.09296	2.3
281.12878	3.2
282.10257	0.8
283.10794	8.1
284.11560	0.9
285.12292	2.3
289.09842	1.6
291.11310	1.0
292.08160	1.6
293.09198	23.7
294.09967	4.8
295.10779	1.8
296.11646	1.1
297.09082	0.6
297.12375	7.3
298.09583	0.8
299.10300	2.6
299.13629	0.5
300.11057	1.8
307.10760	4.9
309.12375	4.9
311.10226	3.1
311.13242	0.4
312.11069	4.7
313.11853	7.2
316.14261	0.6
317.09348	0.5
323.10300	1.6
324.11218	0.5
325.11832	22.8
326.12289	0.6
327.13495	1.0
330.15988	0.5
335.10266	8.7
339.09723	0.9
339.13403	0.8
340.10553	3.4
341.11334	31.0
342.12067	0.7
343.13147	2.1
353.11328	24.8
354.11618	0.9
355.13174	0.4
357.14679	2.3
367.12924	0.6
371.12540	0.5
372.17197	0.5
373.13953	3.7
385.13995	5.5
390.18219	0.9
400.16721	0.7
406.17804	0.8
416.19574	0.6
418.17734	1.1
432.19196	0.8
434.20782	0.8
436.19077	0.7
437.19382	1.7
438.20352	0.6
442.17639	1.0
444.19205	0.8
446.17111	0.4
447.17984	0.5
460.18735	6.9
462.20233	0.9
464.18243	1.3
465.18948	10.4
470.17407	0.8
478.19760	9.9
488.18207	14.2
489.18713	0.4
492.21411	0.7
506.19266	59.7
507.19684	1.9
510.22327	0.8
520.20850	0.8
538.21582	2.2
539.21490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	1.5
53.03949	11.9
55.01880	13.0
55.05513	16.3
57.03438	9.9
57.07064	5.4
61.02926	7.7
65.03926	1.8
67.05502	26.8
68.99774	5.8
69.03430	66.3
69.07064	17.2
69.28980	10.2
69.29412	6.0
71.01344	2.5
71.04995	7.9
71.08620	2.1
73.02930	8.9
79.05495	21.9
81.03419	51.6
81.07057	54.8
83.01307	1.5
83.04971	6.8
83.08607	6.9
85.02906	100.0
85.06538	11.0
87.00828	38.8
91.03980	2.2
91.05480	19.4
93.07047	34.1
95.04974	7.1
95.08041	3.2
95.08607	46.0
97.02286	1.8
97.02895	35.8
97.06533	3.4
97.10158	5.0
98.13417	1.8
99.04454	19.7
99.08104	8.8
101.02394	3.4
103.03919	4.7
105.01856	19.7
105.07028	35.8
106.06565	4.4
107.04940	4.6
107.08597	30.2
109.02883	52.3
109.06480	3.4
109.10169	25.8
111.04431	5.1
111.08085	2.9
111.11747	2.0
113.09605	2.9
115.03951	5.3
117.01831	4.5
117.07018	5.5
118.06712	1.4
119.08576	27.5
121.06527	4.6
121.10149	23.3
123.04417	2.1
123.08047	2.1
123.11710	10.3
124.56221	1.5
125.09623	4.1
127.03918	90.8
129.01826	6.7
129.07045	2.5
131.08574	13.8
133.10136	22.0
134.06032	2.7
135.11690	15.8
137.05986	3.4
137.09647	3.5
137.13239	3.2
142.07779	2.5
143.08543	6.2
145.02815	2.8
145.04953	22.6
145.10136	19.6
147.02899	3.0
147.08098	1.8
147.11697	21.4
149.09654	2.4
149.13260	12.7
151.07497	2.5
151.14734	2.1
155.08582	3.7
157.10112	8.8
159.02899	20.3
159.08044	2.1
159.11690	19.0
161.13261	25.0
162.70531	1.7
163.11192	2.5
163.14812	7.4
167.07091	2.5
169.10133	2.9
171.02797	2.3
171.11681	4.5
173.13263	9.5
175.11148	1.9
175.14825	10.6
177.05486	2.4
177.16373	3.2
181.10228	2.3
183.11688	3.0
185.13268	4.9
187.06055	1.9
187.14815	7.7
189.03947	2.6
189.16339	8.1
197.13261	2.0
199.14780	6.5
201.16339	5.6
203.17987	4.0
211.14824	2.9
213.03908	10.0
213.16443	3.4
215.17958	5.0
231.04990	19.9
243.14923	13.9
253.19626	2.6
257.12875	4.1
269.22653	5.1
271.14410	21.4
271.24203	9.8
285.12442	2.3
287.05533	6.8
287.23721	9.1
288.05750	4.7
289.06070	10.5
289.25250	31.6
299.23724	2.4
301.25235	3.5
307.26492	3.2
331.26334	3.9
367.06821	1.8
379.26236	4.6
397.27243	4.1
415.28354	4.3
429.16855	2.1
483.27209	2.1
501.07007	1.7
501.28543	8.5
519.29504	8.7
519.36261	1.7
537.18921	2.3
537.30878	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	537.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01873	1.0
55.05496	1.2
56.96568	2.6
57.03446	1.2
58.87683	0.8
59.76240	0.9
63.32848	0.9
65.03944	1.3
67.05495	1.5
68.99816	1.0
69.03423	3.4
73.02943	0.9
79.05505	2.4
81.03424	3.0
81.07072	3.7
85.02910	3.9
89.79936	1.0
91.05489	3.3
93.07030	2.0
93.66652	0.9
95.04977	2.6
95.08610	2.5
97.02903	2.3
98.21534	1.6
105.03391	2.7
105.07024	2.6
107.01294	1.1
107.04948	5.9
107.08607	1.5
109.02869	2.7
109.10146	1.9
115.05451	2.6
118.04194	0.9
119.04943	1.1
119.08623	1.1
121.02873	1.3
121.06490	2.2
123.04420	4.0
127.03936	2.9
129.07048	1.9
131.08563	1.1
132.05748	3.8
133.02867	1.4
133.06503	4.5
133.10136	1.2
135.04420	3.4
137.05983	1.8
140.17279	1.1
143.04958	1.6
145.05000	1.2
145.06487	1.9
147.04468	1.4
147.11726	1.2
151.03946	3.9
153.01846	10.9
153.06972	0.9
155.04935	1.3
158.07278	9.0
161.06027	2.0
164.50560	1.0
165.05530	4.3
167.03539	1.1
167.07062	2.6
168.05772	2.4
169.06546	2.8
171.02992	2.2
171.04391	1.9
171.08078	2.4
175.14807	1.3
179.03436	1.7
179.07018	2.4
180.07889	2.7
183.04454	3.4
183.08125	1.2
184.03766	2.0
185.05965	2.2
186.06807	7.7
189.16319	2.2
193.05045	3.1
196.05196	3.1
197.06036	1.6
198.06880	1.6
201.05479	1.2
201.09140	10.5
202.21706	1.4
207.02948	2.3
211.07549	2.2
213.05542	2.5
213.09192	1.4
214.06238	18.2
225.05505	3.9
227.07094	2.4
229.08653	3.9
239.07135	2.7
241.04982	1.1
242.05724	4.5
243.10150	2.0
255.06345	2.0
256.07336	6.4
257.08105	13.8
267.06604	2.3
268.07324	1.2
269.04742	2.3
269.08145	3.2
270.05414	5.2
270.08008	1.0
271.06079	2.0
283.05991	2.3
284.06787	12.2
285.07605	88.4
286.07840	1.1
297.07623	9.5
298.08279	1.6
299.09177	66.8
300.06351	2.6
313.07083	100.0
314.07474	1.6
315.08630	10.4
325.06998	2.6
368.13443	1.4
477.22284	1.5
493.07681	2.3
493.14999	47.3
495.22791	2.2
505.21649	3.1
519.12933	10.4
537.13989	88.6
537.22375	3.0
538.14514	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	537.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68512	0.4
53.03931	0.7
55.05481	0.5
56.96545	0.6
60.88051	0.4
67.05480	1.1
69.07036	1.0
71.47455	0.8
79.05470	1.6
81.07025	1.2
91.05463	1.7
93.07019	0.6
95.01308	1.0
95.04938	1.6
95.08576	0.6
96.87012	0.4
98.40732	0.4
103.05476	2.1
105.03400	7.5
105.04494	0.4
105.07033	6.2
107.04917	1.1
107.08568	1.0
109.10124	0.9
115.05439	0.5
117.07037	0.5
118.04140	1.5
119.04931	0.9
119.08553	0.9
121.02821	0.5
121.06464	1.1
123.00797	3.3
128.06190	1.5
131.04939	7.4
132.05724	2.9
133.05602	0.7
133.06509	9.7
134.77213	0.4
135.04413	2.3
137.02353	0.4
137.05939	0.5
141.06981	1.0
145.10139	1.0
152.01100	2.0
153.06966	0.6
156.05679	1.4
159.08035	0.6
161.06021	2.2
165.06990	1.1
168.05635	1.1
170.02141	0.6
171.06654	0.6
171.08060	11.0
178.02579	0.5
181.06474	1.6
183.08012	1.9
184.05205	2.1
185.05998	0.6
187.07574	0.6
193.06561	0.7
195.04535	0.6
195.08109	0.6
197.05975	1.2
199.07475	1.0
201.16479	0.5
203.07074	1.5
209.06018	5.0
210.06627	0.6
211.03966	0.7
211.07526	1.8
212.04691	1.4
213.05478	0.5
223.03836	0.9
225.05595	0.5
226.06224	0.6
227.07074	1.1
229.08600	2.1
239.03464	0.6
239.07071	1.1
240.04155	1.9
240.07782	2.5
241.04878	0.7
242.05759	0.4
251.06935	1.2
252.04088	0.7
253.05052	0.9
255.06535	100.0
256.07043	1.8
265.05078	0.7
267.10275	0.5
269.04376	0.5
270.05298	0.6
281.08096	5.4
283.06027	28.1
284.06787	11.0
285.07581	13.4
293.34659	0.5
294.25687	0.5
295.06064	0.7
387.12003	0.5
398.84534	0.5
415.11795	37.8
416.12106	0.7
537.15497	71.6
537.30066	22.9
538.15906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.3
57.02223	0.3
67.05494	0.4
67.56748	0.3
69.03417	0.4
69.07049	0.5
69.57283	2.2
78.42642	0.3
79.05471	0.5
81.03418	0.4
81.07030	0.8
85.02909	0.4
89.03923	1.9
90.61431	0.3
91.05464	1.8
93.07034	0.7
95.01312	0.7
95.04962	0.7
95.08578	0.5
103.05457	0.7
105.03380	0.9
105.07022	0.6
107.01303	0.5
107.04960	0.4
107.08616	0.4
108.02039	0.3
109.02840	0.3
117.03384	2.7
118.04118	0.4
119.04927	1.4
121.02813	0.3
121.06480	1.3
122.03633	0.4
123.00799	1.6
123.04388	0.4
127.05421	0.4
129.06982	0.4
131.04890	0.6
132.11931	0.3
133.02838	0.7
133.10097	0.3
134.03632	4.7
135.04425	0.8
137.02339	3.9
137.05978	2.2
141.06924	0.6
144.05650	0.6
145.02859	2.5
145.06491	0.5
146.03621	0.3
147.04446	1.5
148.05167	0.8
149.02397	0.6
149.05957	0.8
151.03941	1.4
151.18535	0.3
153.05472	0.5
154.40836	0.3
155.03728	0.4
155.04933	6.1
155.06064	0.5
157.06485	0.3
159.04431	0.4
161.02364	0.6
163.03886	0.7
165.05486	6.8
167.03365	0.7
167.07054	1.1
168.05695	0.9
169.06438	0.6
171.04393	1.2
172.05185	1.3
175.03918	3.5
177.05443	0.7
179.03328	0.7
181.04968	0.7
182.05746	1.9
183.04416	5.0
184.05130	0.9
185.05956	0.6
187.07520	2.8
192.04189	0.5
193.04987	5.4
194.05759	0.9
196.05197	1.2
197.05997	1.5
197.08080	3.5
200.04659	2.3
201.05563	0.4
205.04922	0.7
207.06520	5.0
211.03885	4.9
211.07433	0.3
212.04662	0.6
213.05450	2.8
214.06279	1.4
215.07079	0.3
221.04456	2.6
222.05269	0.9
224.04657	0.8
225.05502	5.3
225.07536	0.9
228.04175	2.7
229.08731	0.9
239.03378	6.3
240.04253	0.7
241.04959	1.8
242.05916	0.6
243.06528	0.3
252.04160	0.5
253.04948	5.2
253.07262	0.3
255.02972	0.7
256.03690	9.6
256.07288	4.5
267.03159	0.5
268.03854	0.5
269.04474	2.1
270.05243	8.9
271.06018	70.7
272.06412	0.9
284.03397	0.5
284.06760	3.3
285.07574	36.4
286.04843	0.4
286.07919	0.5
299.05511	28.4
300.06256	3.1
301.06949	1.5
311.05511	0.6
314.04520	0.3
327.04974	1.3
331.06064	0.4
338.39651	0.3
373.07111	0.5
388.09467	0.8
391.08032	0.4
403.08261	0.5
416.09128	0.5
417.10010	0.4
419.07748	1.1
434.10226	0.4
445.09500	0.5
447.07053	0.6
449.12485	0.5
461.08575	1.0
462.09491	0.8
463.10056	0.4
475.07080	0.4
477.11847	1.3
489.08142	0.9
490.08957	0.7
491.13208	1.4
505.11276	8.6
511.78949	0.4
519.12970	0.7
537.13947	100.0
538.14191	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	537.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19958	0.6
67.05502	1.4
68.19292	0.6
69.03424	1.3
69.07062	1.0
69.19627	3.2
69.20061	3.5
79.05502	1.3
79.97579	0.7
81.03436	0.8
81.07063	1.7
85.02892	1.2
89.03933	2.2
91.05492	3.0
95.01339	0.7
95.04962	1.0
95.08612	0.8
97.06570	0.9
102.01771	0.7
103.05474	0.9
105.03412	1.7
105.07059	1.2
107.01313	0.8
107.04967	1.2
107.08601	0.7
109.02889	1.0
109.06503	0.9
111.04366	0.7
117.03359	2.8
119.04969	1.5
121.06544	1.4
121.10124	0.8
123.00808	1.9
127.03945	1.0
133.02896	1.8
134.03644	6.0
135.04378	0.7
135.07974	0.6
137.02351	8.2
137.05981	4.5
141.07007	0.9
145.02861	2.8
145.06508	0.7
147.04451	1.6
148.05148	0.9
149.05988	2.0
151.03900	1.6
155.04912	7.3
155.06073	1.2
155.70776	0.7
161.02341	1.0
163.03902	1.0
165.05492	11.2
167.07053	1.3
168.05783	0.7
169.06549	1.1
171.04475	0.7
172.05234	1.0
175.03900	3.2
177.05510	1.3
179.03397	1.1
181.04985	1.3
181.06464	1.0
182.05707	3.0
183.04442	5.1
186.06697	0.7
187.07608	2.1
192.04228	0.8
193.04974	7.9
194.05780	1.1
196.05286	1.2
197.06026	2.0
197.08147	5.2
200.04718	2.7
207.06503	5.5
211.03856	4.4
213.05540	4.4
214.06282	3.3
221.04396	3.1
222.05267	1.6
224.04680	1.1
225.05516	10.8
225.07594	1.2
228.04214	1.4
229.08621	1.4
239.03398	5.1
241.05022	2.9
242.05777	1.2
253.04971	9.4
253.07254	1.0
255.03117	1.0
256.03674	8.8
256.07315	5.7
257.08188	0.8
269.04544	2.5
270.05255	20.4
271.06027	66.7
272.06555	0.8
284.06830	4.7
285.07590	66.2
289.17865	1.3
299.05524	27.0
300.06396	3.3
311.05399	0.7
376.05609	0.9
403.08035	1.2
416.08939	1.0
447.06714	0.8
449.12564	1.1
461.08722	0.9
489.07913	1.0
490.08813	1.0
505.11313	17.0
537.13953	100.0
538.14276	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	537.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19958	0.6
67.05502	1.4
68.19292	0.6
69.03424	1.3
69.07062	1.0
69.19627	3.2
69.20061	3.5
79.05502	1.3
79.97579	0.7
81.03436	0.8
81.07063	1.7
85.02892	1.2
89.03933	2.2
91.05492	3.0
95.01339	0.7
95.04962	1.0
95.08612	0.8
97.06570	0.9
102.01771	0.7
103.05474	0.9
105.03412	1.7
105.07059	1.2
107.01313	0.8
107.04967	1.2
107.08601	0.7
109.02889	1.0
109.06503	0.9
111.04366	0.7
117.03359	2.8
119.04969	1.5
121.06544	1.4
121.10124	0.8
123.00808	1.9
127.03945	1.0
133.02896	1.8
134.03644	6.0
135.04378	0.7
135.07974	0.6
137.02351	8.2
137.05981	4.5
141.07007	0.9
145.02861	2.8
145.06508	0.7
147.04451	1.6
148.05148	0.9
149.05988	2.0
151.03900	1.6
155.04912	7.3
155.06073	1.2
155.70776	0.7
161.02341	1.0
163.03902	1.0
165.05492	11.2
167.07053	1.3
168.05783	0.7
169.06549	1.1
171.04475	0.7
172.05234	1.0
175.03900	3.2
177.05510	1.3
179.03397	1.1
181.04985	1.3
181.06464	1.0
182.05707	3.0
183.04442	5.1
186.06697	0.7
187.07608	2.1
192.04228	0.8
193.04974	7.9
194.05780	1.1
196.05286	1.2
197.06026	2.0
197.08147	5.2
200.04718	2.7
207.06503	5.5
211.03856	4.4
213.05540	4.4
214.06282	3.3
221.04396	3.1
222.05267	1.6
224.04680	1.1
225.05516	10.8
225.07594	1.2
228.04214	1.4
229.08621	1.4
239.03398	5.1
241.05022	2.9
242.05777	1.2
253.04971	9.4
253.07254	1.0
255.03117	1.0
256.03674	8.8
256.07315	5.7
257.08188	0.8
269.04544	2.5
270.05255	20.4
271.06027	66.7
272.06555	0.8
284.06830	4.7
285.07590	66.2
289.17865	1.3
299.05524	27.0
300.06396	3.3
311.05399	0.7
376.05609	0.9
403.08035	1.2
416.08939	1.0
447.06714	0.8
449.12564	1.1
461.08722	0.9
489.07913	1.0
490.08813	1.0
505.11313	17.0
537.13953	100.0
538.14276	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	537.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.7
53.05379	0.5
63.16359	0.6
67.17045	0.5
70.71310	1.4
70.71646	0.7
89.03909	1.9
90.75436	0.5
91.05511	1.3
95.01335	0.8
102.83121	0.6
103.05430	0.8
104.25047	0.6
105.03363	0.8
115.05413	0.7
117.03416	3.3
118.42050	0.7
119.04930	2.4
121.06521	1.4
123.00803	1.0
127.05471	0.6
134.03638	4.7
135.04427	0.7
137.02345	4.4
137.05969	2.6
141.06961	0.7
145.02843	2.6
147.04387	2.1
148.05180	0.6
149.05969	1.4
151.03923	0.9
155.04916	7.0
155.06032	1.0
161.02319	1.2
163.03830	0.6
165.04332	0.7
165.05515	7.6
168.05765	0.7
169.06445	0.9
171.04440	0.9
172.05206	1.7
175.03941	3.1
176.04753	0.5
177.05455	1.1
179.03415	0.9
181.04999	0.8
182.05745	1.4
183.04399	6.1
185.06001	1.1
187.07529	1.9
193.04990	7.5
194.05673	0.6
196.05240	1.5
197.05966	1.8
197.08072	4.3
200.04723	1.9
205.04958	0.8
207.06540	6.0
211.03893	5.2
213.05469	3.8
214.06256	2.0
221.04527	2.9
222.05215	1.2
223.03876	0.6
225.05450	7.4
225.07649	1.5
228.04170	2.5
229.08702	0.8
239.03392	5.9
239.09062	0.8
241.04967	1.6
242.05858	0.7
253.04964	7.2
255.03069	1.1
256.03723	9.5
256.07321	4.5
257.08093	0.9
269.04477	3.3
270.05246	13.3
271.06027	75.5
272.06436	1.0
284.03882	0.8
284.06830	3.7
285.07602	52.1
299.05524	37.5
299.09024	1.3
300.06250	3.0
301.06848	0.8
327.05023	3.5
419.07813	0.7
444.08569	0.8
449.12500	0.7
461.09036	0.6
477.11267	1.2
490.08789	1.0
505.11349	10.8
519.12842	1.5
537.13959	100.0
538.14148	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	535.2882
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05514	1.0
56.56991	0.4
57.03431	0.5
67.05511	1.7
69.03432	0.4
69.07082	0.8
71.04966	0.4
71.56111	0.6
78.55414	0.3
79.05500	1.4
81.03423	2.1
81.07070	2.0
83.04984	0.6
83.08607	1.0
85.02911	2.3
86.09644	0.3
90.50172	0.3
91.05466	2.2
93.07054	1.3
95.04988	1.5
95.08598	1.1
101.81676	0.3
105.07021	2.0
107.05018	0.5
107.08605	0.8
109.10156	0.4
117.07032	0.4
119.08587	1.5
121.06530	0.4
121.10187	1.1
124.01458	0.4
129.07080	0.5
131.08601	1.1
133.10143	1.1
137.05977	0.4
141.08495	0.3
145.10156	0.6
147.11649	0.6
149.09758	0.4
153.05540	0.4
157.10118	0.6
175.11130	0.6
184.07367	0.7
193.12259	1.0
214.49783	0.4
251.12556	8.3
263.96417	0.4
269.12592	0.5
280.09521	0.5
285.16998	1.0
287.05557	1.5
307.15152	7.7
418.45529	0.4
535.28833	100.0
536.29138	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81531	1.3
53.03947	8.8
55.01876	12.3
57.03426	5.1
57.23193	1.3
58.79519	1.4
61.02915	5.6
68.99778	3.1
69.03435	31.4
70.48125	1.2
70.88333	3.8
71.04988	6.3
73.02919	7.5
79.05503	11.9
80.43143	1.4
81.02981	1.9
81.03429	31.8
81.07042	3.7
85.02914	91.8
87.00837	31.5
87.04459	1.7
91.03941	2.2
91.05490	5.3
91.87470	1.5
95.08614	2.2
96.42709	1.6
97.02901	33.5
99.04453	16.4
105.01881	27.6
107.04967	30.3
108.04493	7.7
109.02885	36.3
111.04448	1.7
115.05469	11.8
117.01872	6.8
117.07030	92.1
119.08591	1.5
121.06521	1.8
124.05210	5.0
126.05500	3.6
127.03931	59.8
129.01845	4.1
129.51428	1.4
133.06573	1.5
145.04962	30.9
147.02861	1.5
149.06009	1.7
150.09134	4.3
152.04688	2.9
153.05508	2.1
159.02896	23.0
167.07056	100.0
171.02881	2.1
182.49979	1.5
213.03897	4.7
230.06554	2.2
231.05014	10.9
248.07704	4.4
249.06229	1.7
253.09738	1.6
269.11804	2.8
271.13309	3.1
279.11072	1.7
281.11829	4.3
283.13260	3.3
295.13419	2.2
299.06149	2.1
335.10214	1.5
339.13361	8.3
350.34421	1.5
355.12781	2.0
361.14426	2.2
367.12881	8.1
379.15506	1.7
479.95132	1.6
504.21393	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	536.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05495	0.8
56.05029	1.0
56.80930	0.2
57.03425	0.6
58.06595	1.1
60.63519	0.3
64.96629	0.2
67.04221	0.4
67.05508	0.4
68.05008	0.3
69.03414	1.0
69.07050	0.5
69.61503	0.4
69.61894	1.4
70.06593	1.3
70.06906	0.3
71.04974	0.4
72.04517	2.0
72.08143	1.4
81.03417	1.2
81.05801	0.5
81.07047	0.4
82.06577	5.0
83.04961	1.4
84.08147	6.5
85.02915	0.5
85.06518	0.7
85.08940	0.5
86.09714	0.3
89.99127	0.3
95.04948	0.3
96.08125	5.0
97.02850	0.4
98.09696	11.6
98.21445	0.5
100.07610	0.2
105.06981	0.3
105.76656	0.2
108.08118	5.1
109.93885	0.2
111.06805	0.4
113.06017	1.5
116.10738	13.5
124.07630	0.4
126.09158	31.6
148.40750	0.2
158.11769	100.0
159.12090	0.5
172.08678	1.6
177.05444	0.7
200.08209	0.4
216.07690	1.1
243.08798	5.9
244.09464	0.5
324.57199	0.2
377.14529	3.2
459.18900	2.1
536.27222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27655	1.6
55.05515	19.2
57.07089	10.5
59.65525	1.7
67.05512	5.3
68.99786	1.7
69.06720	3.2
69.07075	41.8
71.58495	2.7
79.05493	7.2
81.03432	2.5
81.07057	13.5
83.08620	29.8
88.39837	1.6
91.05477	5.4
93.03426	4.1
93.07043	4.4
95.04978	5.4
95.08616	3.1
97.10165	3.9
105.03382	2.6
105.07052	4.3
107.04943	8.1
107.08599	2.9
109.06507	4.3
119.08587	3.7
120.76998	1.9
121.06514	5.1
131.04852	2.2
133.02863	52.6
135.04428	10.1
135.05330	1.8
135.11633	2.7
137.05977	14.3
147.04402	3.3
147.08099	3.5
149.02287	2.7
149.05998	8.7
150.03139	10.4
153.05467	11.8
161.02367	5.3
161.06009	4.7
162.03111	8.4
163.03923	28.2
165.05478	45.2
165.61948	1.5
167.03383	6.0
167.07004	2.4
173.96620	1.8
175.03944	3.0
175.07523	3.5
177.05481	100.0
178.02596	2.4
178.06264	63.0
183.07999	2.8
185.05991	3.7
187.03897	2.8
189.09088	2.9
193.04991	16.8
195.06552	22.3
199.07515	1.8
201.05499	2.8
201.09087	8.8
203.07045	60.7
205.05006	2.7
211.07593	2.4
213.09148	7.9
221.09808	1.9
227.07129	3.9
229.08565	14.0
243.10178	12.5
251.07164	2.9
257.08060	2.0
267.10287	3.9
276.07977	2.0
279.06610	3.1
279.09955	1.9
285.18433	2.2
291.10245	2.8
293.11771	2.3
305.12021	1.7
307.09793	2.1
309.11200	13.1
315.19440	2.5
316.20355	34.6
319.09650	3.2
321.11191	3.3
325.14365	9.4
333.20642	4.9
335.09055	3.3
337.10828	2.2
351.12338	3.5
352.13324	2.3
353.13882	34.1
365.10291	2.7
367.11765	4.9
376.19031	2.0
379.11734	4.5
397.12723	21.3
447.25494	2.6
473.23257	2.6
491.27902	4.8
505.25385	3.2
535.26569	19.7
535.33203	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	535.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.7
65.84041	0.5
68.22743	0.5
69.03415	0.9
69.83033	3.2
79.05499	0.8
91.05447	1.2
93.07050	0.7
102.04671	1.6
103.05473	2.8
105.07023	2.7
107.01328	0.7
107.04964	0.6
115.05442	2.4
118.04142	2.5
119.04897	1.7
121.06551	0.7
123.00795	0.8
125.02376	1.3
127.90825	0.6
128.06194	1.6
130.04128	1.6
131.04944	6.2
132.05688	2.3
133.06491	4.3
135.00829	0.7
135.04399	2.6
136.01508	0.6
137.02319	0.6
137.05989	0.8
139.21420	0.5
141.07072	0.8
143.04913	1.6
145.06416	1.0
146.03629	4.3
147.04416	4.5
148.05150	1.5
149.02330	0.6
151.03882	0.6
153.01817	9.9
155.04909	1.8
158.07277	8.5
159.04504	0.7
161.05998	6.8
162.06749	2.0
163.07529	2.1
168.05717	1.9
169.06479	2.8
171.02948	1.2
171.04309	1.2
171.08017	1.9
174.06674	0.6
177.05394	0.7
181.06343	0.6
183.04475	3.5
183.08017	1.3
184.05202	0.8
185.05963	1.7
186.06763	9.4
191.07024	0.7
196.05176	2.3
197.05983	2.1
198.06787	0.9
199.03877	0.9
199.07451	1.0
199.20917	0.5
201.09117	11.4
203.07013	0.9
211.07506	1.1
212.04634	0.6
213.05522	1.0
214.06247	16.6
225.05386	3.2
227.06874	0.8
229.08623	2.4
239.03482	0.9
239.07079	0.8
240.07785	2.2
241.05096	1.0
242.05746	7.1
253.04935	1.3
255.06517	15.6
256.07233	0.8
257.08099	15.0
259.09692	1.2
267.06415	0.8
268.07263	4.5
269.04593	0.7
269.08066	2.0
270.05234	5.5
271.06006	0.8
281.08112	1.1
283.05984	5.5
284.06772	1.4
285.07581	100.0
286.07809	0.8
296.06729	2.4
297.07553	5.7
298.08313	0.9
300.06308	2.7
311.09134	3.5
313.07062	96.6
314.07672	2.4
315.08588	10.9
323.08856	0.8
417.09775	0.6
443.11136	4.1
475.13907	73.7
476.14609	0.8
493.15048	0.8
535.15985	59.0
536.15955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85358	0.6
70.99968	1.7
71.06116	0.7
79.05513	0.8
81.44898	0.7
89.03912	3.5
91.05501	2.3
103.05442	0.9
105.03385	0.7
105.04517	0.6
117.03397	9.2
119.04955	2.0
123.00792	0.7
127.05431	0.7
129.63739	0.6
133.02792	0.7
137.05969	3.2
141.06993	1.8
145.02863	3.0
147.04388	2.1
149.02354	0.8
155.04929	11.6
155.06056	1.0
165.05505	9.4
167.03522	0.9
167.07124	0.9
168.05751	1.7
169.06494	1.9
171.04446	1.7
175.03944	4.7
179.03491	0.8
182.05826	2.4
183.04417	12.2
185.05997	1.5
193.05017	10.1
194.05814	1.2
196.05212	2.4
197.06056	3.9
197.08142	4.7
207.06531	9.0
211.03915	6.9
221.04442	3.3
222.05315	2.2
223.03914	1.1
224.04716	2.0
225.05521	17.5
225.07622	2.1
227.07050	1.1
239.03403	14.3
253.04994	14.7
253.07608	0.9
254.05814	5.0
269.04468	76.6
270.04837	1.4
282.05249	4.1
283.06030	60.1
284.06482	0.9
297.03964	37.3
298.04581	3.4
299.05518	1.1
309.03986	1.1
330.09323	0.7
389.06570	0.9
503.09811	14.6
535.12415	100.0
535.28748	3.5
536.12891	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	535.1088
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
50.88852	0.1
53.03955	0.4
54.85281	0.1
55.01878	0.3
57.03440	0.4
59.62502	0.1
61.02912	0.2
67.01868	0.3
67.05500	0.2
68.99788	0.5
69.03426	1.2
69.07056	0.2
69.51419	0.6
69.51823	0.3
70.06593	0.4
72.08172	0.2
73.02917	0.3
79.05473	0.3
81.03422	1.2
81.07050	0.5
83.04975	0.1
85.02904	1.5
87.00813	0.6
89.03934	0.2
89.11607	0.2
91.05479	0.3
93.07031	0.4
95.04945	0.2
95.08607	0.3
97.02918	0.8
97.73862	0.1
98.97668	0.1
99.04442	0.3
105.01843	0.4
105.07024	0.2
107.08628	0.2
109.02895	1.0
109.10150	0.2
111.00803	0.2
111.08116	0.1
117.01884	0.1
117.03334	0.3
118.88674	0.1
119.08573	0.4
121.10132	0.3
127.03922	1.7
129.01871	0.3
135.04434	1.8
135.08073	0.3
135.11697	0.2
135.56314	0.1
137.02324	0.6
137.05969	0.5
145.02832	0.3
145.04967	0.3
145.06508	0.2
145.10139	0.2
147.04460	0.3
147.11635	0.2
149.02328	0.2
151.03894	0.2
153.01833	5.9
159.02969	0.3
161.02309	0.7
167.06990	0.2
171.02882	0.4
171.04353	0.2
174.10130	0.2
175.07512	0.2
175.11171	0.2
177.05498	0.6
179.03406	0.5
185.05994	0.3
203.03256	0.2
207.06424	0.2
213.05484	0.3
231.06555	0.3
241.04945	1.3
259.06094	0.2
269.04459	0.7
269.07785	0.1
286.04718	0.3
287.05499	100.0
288.05807	1.3
431.18912	0.2
449.10840	2.9
454.33328	0.2
491.11743	0.7
517.09802	0.5
535.10907	3.2
535.18695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1087
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
67.01859	0.5
68.99799	0.4
69.03426	0.2
69.87755	0.6
69.88146	0.3
89.03959	0.2
100.18459	0.1
101.64977	0.1
111.00777	0.2
111.04489	0.2
111.05257	0.1
117.03336	0.2
127.03896	0.2
135.04424	1.5
137.02348	0.6
153.01842	5.0
157.06639	0.1
161.02368	0.7
179.03453	0.2
213.05429	0.3
231.06522	0.2
241.04950	0.6
265.16452	0.2
269.04517	0.4
270.05127	0.2
272.05731	0.2
285.07556	0.5
286.07932	0.5
287.05508	100.0
288.05841	1.4
291.57568	0.2
449.10648	0.7
469.45578	0.1
531.66254	0.2
535.10992	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	535.1087
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03950	1.6
55.01870	1.5
57.03421	0.7
57.67963	0.2
61.02919	0.8
61.24487	0.3
65.03941	0.2
68.99796	1.4
69.03082	0.3
69.03436	5.5
70.11189	0.6
70.11583	0.4
71.04990	0.7
73.02928	1.5
76.22710	0.2
81.03427	7.9
85.02911	9.9
87.00362	0.4
87.00837	4.6
91.03957	0.2
91.05457	0.2
97.02899	3.1
97.86173	0.2
99.04449	2.1
103.03938	0.2
105.01878	2.0
105.03372	0.3
107.04967	0.5
109.02887	5.0
111.00784	0.5
117.01833	0.7
121.02863	2.5
127.03920	7.6
129.01822	0.6
133.02832	0.4
137.02330	0.8
145.04979	2.1
147.02834	0.5
147.04413	0.3
150.80588	0.3
153.01839	4.0
155.22731	0.2
157.06534	0.4
159.02910	3.5
165.01878	1.8
183.02878	0.7
185.06004	0.5
213.05495	1.3
225.05345	0.3
231.04982	1.0
241.04887	0.6
256.09146	0.3
258.05270	1.0
259.06158	0.4
287.05518	100.0
288.05774	1.2
333.67999	0.2
349.25311	0.2
380.91248	0.2
535.21497	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	534.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12356	0.6
53.03936	0.6
57.03442	7.5
58.17245	0.5
59.04993	2.3
59.18270	0.5
60.04531	1.0
60.92773	0.6
61.02917	0.7
66.52156	0.5
69.03432	26.3
69.07055	1.0
71.04964	0.6
71.58504	0.8
73.02911	1.0
79.05489	2.1
81.03377	0.7
81.07055	1.3
85.02908	18.1
87.04471	17.6
91.05479	1.4
92.55245	0.6
93.07016	0.8
95.04993	0.9
95.08620	0.9
95.73434	0.5
97.02898	17.7
100.64790	0.6
103.05466	1.0
104.06248	1.2
105.06384	1.2
105.07040	17.2
107.04945	1.4
107.08601	1.0
109.02898	0.9
109.06487	0.6
111.04422	0.8
115.03939	20.7
119.08495	0.7
121.06518	2.3
121.10094	0.7
122.03716	0.6
123.04414	0.6
124.05186	0.8
124.07618	0.6
125.05977	1.2
125.68986	0.6
127.03919	2.3
131.04924	1.2
131.08511	0.6
132.05717	2.1
133.04962	22.4
133.06488	31.5
133.10092	0.7
135.04349	1.5
135.08069	0.6
135.11659	1.0
136.07652	0.7
137.05986	18.4
137.09547	0.7
145.04953	2.0
145.06277	0.6
150.05513	1.1
150.06747	38.4
165.09119	100.0
175.07524	0.5
177.09094	2.6
183.08130	0.6
183.10243	1.0
189.09076	1.4
192.87204	0.6
201.09007	0.7
205.12263	1.3
207.10258	1.1
223.13297	34.7
248.74727	0.6
258.18170	0.6
259.08084	0.6
285.07559	1.6
286.07974	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	533.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05506	1.5
57.07055	1.1
67.05490	2.5
68.75244	0.7
69.07068	5.5
69.52146	1.4
69.52554	3.8
71.08616	0.9
71.94935	0.8
72.49178	0.7
79.05478	2.6
81.07065	5.1
83.04977	1.0
91.05495	3.9
93.07058	4.3
95.01342	0.8
95.04962	3.5
95.08628	3.9
97.10190	1.0
98.20757	1.3
101.48255	0.6
105.07019	5.3
107.04868	0.8
107.08584	3.0
109.06538	2.3
109.10155	1.8
111.04442	1.2
117.07038	1.2
119.08580	7.1
121.06471	2.2
121.10157	1.7
123.11688	1.3
128.06209	1.0
129.06984	1.9
131.08553	1.6
133.10130	3.4
135.04387	1.1
135.11674	0.9
136.67639	0.9
137.13255	1.2
139.07573	1.5
145.06541	1.1
145.10120	1.7
147.04443	0.9
147.08049	2.8
147.11676	2.8
149.02354	1.9
149.05943	1.2
151.03957	1.3
155.08530	0.9
157.06459	0.7
157.10078	0.9
159.08081	1.3
159.11774	1.0
161.02379	6.7
161.05974	4.3
161.13231	0.7
163.03935	1.2
167.03464	1.2
169.10121	1.3
171.11687	1.3
175.03883	0.9
175.07545	2.2
175.11264	0.7
185.06013	3.0
187.14877	0.8
200.52017	0.8
201.09160	1.5
203.07036	100.0
203.17957	2.6
204.07329	0.8
229.12183	1.0
229.62018	0.8
239.03445	0.8
243.10185	12.7
245.15468	0.7
263.20108	2.2
269.08240	1.0
271.05847	0.8
299.05460	3.4
313.21545	1.0
314.07922	1.7
329.10187	8.3
331.22742	0.8
533.28632	6.9
533.37244	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58659	3.1
67.05487	3.1
69.03423	5.2
71.02784	7.1
71.04997	8.3
71.36484	3.4
81.03413	4.6
85.02900	19.0
93.00847	3.0
93.07053	6.2
95.04362	4.5
95.04969	89.3
95.08604	3.6
97.02898	9.6
97.06533	2.7
97.59860	3.1
99.04453	38.8
99.08094	6.0
103.03935	22.1
105.06998	6.7
107.08643	6.7
109.02894	6.3
109.10173	10.6
115.07576	5.4
121.10133	3.7
123.11695	5.0
127.03941	24.3
131.08548	3.9
133.10129	37.5
135.08098	4.1
145.04945	16.8
149.13239	5.9
151.11156	6.0
153.09087	30.6
163.06036	7.5
169.12210	6.3
173.13277	15.1
191.14346	27.6
209.15363	100.0
221.86494	3.2
227.16420	12.7
411.42047	3.1
547.38116	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01866	3.4
55.05511	1.4
55.52343	0.6
57.03444	7.5
61.02928	6.6
67.05521	2.2
67.49762	0.7
69.03436	24.8
69.07069	6.6
70.63579	0.7
70.63914	1.6
71.01345	0.7
71.05008	3.2
73.02931	2.6
74.74037	0.6
79.05512	2.4
81.03426	11.0
81.07045	4.3
83.01328	0.8
83.04992	1.7
83.08624	2.3
85.02912	100.0
85.06528	0.8
87.00862	0.7
87.04478	1.9
91.03962	2.8
91.05497	3.1
93.07062	4.0
95.04424	1.1
95.04979	9.0
95.08608	3.2
97.02277	1.3
97.02905	27.0
97.06550	3.4
98.42971	0.6
98.90445	0.7
99.04470	5.5
99.71696	0.6
101.02336	0.7
103.03957	1.4
105.07066	3.4
107.04984	0.9
107.08614	7.4
109.02888	12.1
109.06530	4.5
109.10172	1.9
111.08105	0.6
115.03968	0.9
119.08598	3.2
121.06539	4.0
121.09412	0.7
121.10119	3.6
122.07304	2.6
123.04448	7.5
123.08084	15.1
127.03931	24.0
131.08575	1.5
133.10118	5.7
135.08066	27.0
135.11691	3.5
137.09660	1.9
145.04970	31.0
145.10017	0.8
147.04453	1.3
147.11708	3.3
148.08859	1.1
149.13304	1.2
151.03932	7.0
152.95280	0.7
161.09586	1.0
163.06029	5.9
163.14819	1.2
165.05499	2.7
165.12769	34.5
171.06567	1.4
175.03943	2.2
175.14790	5.2
176.12007	2.7
189.05605	1.2
191.14325	71.6
193.15883	18.9
207.13890	2.6
209.15393	19.0
219.60582	0.7
285.07550	6.1
309.07718	0.9
309.17108	1.2
329.06705	0.8
353.19733	1.2
371.20532	3.7
420.22745	0.8
533.25970	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
55.05503	5.7
59.30846	1.4
65.03944	2.0
67.05495	6.1
69.03426	2.4
69.07072	9.1
71.58041	2.1
78.82163	1.3
79.05488	7.9
81.03423	2.3
81.07066	9.4
83.04991	2.9
85.02879	2.1
85.65482	1.5
91.05495	12.3
93.06256	1.6
93.07031	8.4
95.04951	2.7
95.08585	4.6
103.05470	2.8
105.07027	8.9
107.04977	3.4
107.08585	6.5
109.06515	3.2
109.10155	5.3
111.04441	2.3
115.05392	2.1
117.06983	3.8
119.04959	2.1
119.08575	9.7
121.06526	7.8
121.10155	2.2
125.05930	1.9
128.06186	2.7
129.06999	3.9
131.08598	3.9
133.02875	3.7
133.10141	2.7
135.04404	3.0
135.08037	2.1
135.11731	2.8
137.06015	1.8
141.06989	3.5
142.07843	2.1
143.08542	4.5
145.06485	4.4
145.10095	4.0
147.04384	4.1
147.08072	6.2
147.11702	2.7
148.20326	1.5
149.02388	2.9
149.05968	4.7
149.09615	1.9
151.03914	3.6
153.05484	3.4
153.07030	2.4
153.09142	21.6
155.08554	3.7
156.09247	2.2
157.06464	3.6
157.10149	4.3
158.07210	1.6
159.08058	3.6
159.11707	3.0
160.05209	1.9
161.02376	7.9
161.05965	5.4
161.09570	4.2
161.13298	1.8
163.03911	4.3
165.05566	2.3
165.07001	3.0
166.07758	2.0
167.03369	2.2
167.08575	2.1
169.10150	3.4
171.08110	4.1
171.11671	4.1
173.06007	4.8
173.09651	3.4
175.07556	4.0
175.11156	2.1
177.05489	18.9
177.09082	2.0
178.06232	2.3
179.08624	2.1
181.10071	2.2
183.08078	3.9
183.11649	3.0
185.06006	5.7
185.09633	4.4
185.13219	1.9
187.03735	2.1
187.07547	2.7
187.11269	2.2
189.05446	2.8
189.09122	4.9
189.12741	5.4
193.04967	4.2
193.10284	2.1
195.08078	1.6
195.11703	4.9
197.09702	3.6
199.07532	3.1
199.11154	3.3
201.09065	5.5
203.03404	3.8
203.07051	100.0
204.07422	3.0
209.09740	2.2
211.07582	2.1
211.11079	2.0
213.09227	3.9
213.12679	5.2
215.10649	2.4
217.08601	1.7
221.08017	2.7
221.15340	7.9
225.09145	3.7
227.07054	2.4
227.10703	2.1
229.08636	4.8
237.08948	2.1
239.10628	1.8
239.14464	2.1
241.08583	3.7
241.12267	2.7
243.10181	30.9
253.15810	2.0
255.13890	9.3
261.11310	3.6
267.10205	2.1
269.08127	5.3
271.16782	2.4
273.14935	4.4
279.13708	2.1
281.15341	4.8
283.09698	1.8
283.12817	1.8
285.07715	2.3
299.09256	2.8
313.17929	3.9
319.09418	2.0
321.14722	3.5
325.14429	3.5
331.19150	1.9
339.16028	1.8
353.13840	5.0
379.11795	11.0
397.12869	8.7
447.18033	3.9
453.20535	2.1
455.22708	2.5
465.20145	4.7
473.23132	2.7
483.21738	12.8
485.23395	3.2
497.23038	2.4
501.22784	25.6
515.24384	20.8
533.25745	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	533.2538
Annotation	Bistratamide F
Peak:m/z	Relative Intensity
51.02404	1.0
55.01880	1.4
55.05515	1.7
56.93350	1.0
61.37447	1.1
67.05504	4.0
69.07070	3.5
69.27634	1.2
71.58298	1.6
79.05483	4.0
81.03418	2.5
81.07070	8.2
83.08595	1.5
85.02916	1.1
91.05468	9.0
93.07056	7.6
95.01334	1.5
95.04955	1.9
95.08616	4.0
105.07021	7.7
107.04990	1.1
107.08585	6.0
109.06500	1.8
109.10183	2.4
117.07025	3.9
119.04962	2.7
119.08578	4.5
121.06490	2.2
121.10114	2.8
123.08115	1.5
128.06203	1.7
129.07022	2.5
131.04956	1.1
131.08618	6.6
133.06500	1.8
133.10139	3.6
135.04440	1.7
135.08073	4.1
135.11684	2.7
141.06961	1.4
142.07790	2.0
143.08572	5.6
145.06485	4.0
145.10124	2.7
147.04396	2.3
147.08058	3.6
147.11662	1.7
149.05974	1.4
149.09650	2.8
151.03871	1.3
151.07455	1.1
154.07782	1.3
155.08540	3.0
157.06503	1.7
157.10187	2.8
159.08055	3.3
159.11725	3.3
161.02332	2.8
161.06007	5.6
163.03981	1.3
165.06970	1.5
167.03415	1.5
167.08611	3.2
169.10085	3.2
171.04515	1.3
171.08040	3.4
171.11662	1.5
173.06007	6.1
173.09691	1.8
175.03906	1.8
175.07590	2.5
175.11163	1.7
177.05545	1.7
177.09128	2.2
179.08556	2.3
181.06500	1.5
181.10126	2.4
182.07294	1.2
183.08018	2.4
183.11705	2.2
185.05989	3.1
185.13264	3.2
187.03827	1.8
187.07544	2.5
188.92491	1.1
189.09102	3.2
195.08093	3.3
195.11713	2.9
197.09584	1.8
198.06679	1.8
198.10410	1.4
199.07526	2.1
201.05446	1.7
201.09154	2.0
201.12691	2.1
203.07040	44.5
203.10651	1.5
205.08578	2.3
207.11649	2.2
209.09708	1.1
209.13202	1.8
211.07582	1.5
211.11153	2.2
212.08330	1.5
213.09132	5.3
213.12717	10.4
215.10594	2.1
219.11649	1.2
223.07669	1.9
223.11244	1.7
225.09077	3.3
225.12859	1.9
226.06123	1.7
227.10861	1.2
229.08633	3.2
229.12241	1.8
235.11160	1.2
241.08615	21.7
241.12279	3.2
243.10149	8.4
251.06984	1.7
253.04892	1.5
253.08614	2.1
253.12433	1.7
253.15869	3.9
255.10242	1.8
259.09625	5.3
261.11121	6.3
261.55746	1.4
267.10150	1.5
269.08072	7.8
271.09314	1.5
277.08386	1.6
279.13708	3.2
281.08145	2.0
281.15253	1.6
297.14865	1.7
299.09195	30.7
307.13226	1.8
311.16409	1.8
313.18094	2.1
319.13232	3.1
321.15067	1.7
339.15942	3.0
375.33524	1.1
375.60843	1.3
381.13354	2.4
385.14075	1.3
397.12961	1.6
399.19818	1.1
426.02515	1.2
427.23001	2.4
437.21466	2.5
441.20547	1.1
453.20761	1.4
455.22266	16.1
465.20444	5.2
471.22037	1.4
473.23361	11.6
479.22897	1.3
483.21762	16.5
487.24936	2.8
501.15921	1.6
501.22821	19.4
515.24323	26.9
533.25922	100.0
534.25140	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	533.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
54.13406	0.6
55.01853	0.5
55.05498	1.2
56.01601	0.5
57.07064	0.7
57.38827	0.4
59.05019	0.5
67.05495	0.8
69.03410	0.9
69.07067	3.8
69.32064	2.8
69.32476	1.0
79.05494	1.5
81.03406	1.1
81.07043	1.8
85.02911	2.2
87.13485	0.5
91.05479	3.6
93.03384	1.3
93.07037	1.8
95.04963	1.4
95.08598	1.6
103.05447	0.8
105.03392	0.6
105.07019	2.0
106.04166	0.7
107.04964	0.6
107.08588	1.6
109.06526	1.3
109.10159	0.7
115.05482	1.0
117.07012	1.6
118.04259	0.5
119.04958	0.5
119.08569	1.3
121.02858	1.7
121.06512	3.7
121.10160	0.4
128.06262	0.8
129.07010	2.8
129.97742	0.5
131.08531	0.8
133.02872	0.6
133.06450	0.7
133.10133	1.4
134.10532	0.5
135.08017	0.5
135.11722	0.7
141.05351	0.5
141.06999	1.2
143.08537	1.4
144.05746	0.7
145.06503	1.5
147.04405	2.2
147.08025	3.0
148.05191	1.4
149.02345	1.5
149.06000	3.5
151.03835	0.6
153.05423	0.6
153.06969	1.2
154.07799	0.8
155.08571	2.3
157.06471	1.7
158.07304	0.6
159.08035	1.3
161.02351	6.1
161.05971	2.9
161.09642	0.6
163.03853	0.6
163.07568	1.7
165.07001	0.7
167.03355	0.6
167.08543	1.3
169.10129	0.9
171.08075	1.4
175.03972	1.3
175.07552	3.7
177.05484	27.3
177.08954	2.9
179.08603	0.6
181.06459	0.6
182.07301	0.8
183.07985	0.9
183.58032	0.4
185.05966	2.9
185.09566	0.5
185.13255	0.6
187.07526	1.0
189.09102	1.6
191.07066	0.6
195.08078	2.3
197.09618	1.4
199.07533	2.3
201.05286	0.5
201.09085	0.8
203.07039	100.0
203.14319	1.3
204.07399	0.8
211.07553	1.2
211.11209	0.5
213.09145	1.8
215.10754	0.8
217.12286	0.5
217.15848	0.9
223.07639	1.7
225.09113	2.3
225.45198	0.4
226.06340	0.7
227.06929	0.6
227.14293	2.0
229.12263	0.7
241.08638	6.2
243.10147	1.7
245.11763	1.5
245.15396	4.3
247.16901	0.8
251.07364	0.5
253.15927	0.8
257.08176	1.5
257.11749	1.1
263.14346	0.6
269.08099	17.3
271.09686	2.9
281.15512	0.9
285.18472	2.9
295.17114	0.7
313.17990	19.6
333.11295	2.2
379.11588	0.5
469.23328	0.6
515.24329	25.9
516.24463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.254
Annotation	Bistratamide F
Peak:m/z	Relative Intensity
54.03522	1.5
55.05522	4.0
64.06127	1.6
65.03976	1.6
67.05502	4.8
69.03407	2.4
69.07088	8.6
69.29439	12.3
69.29863	5.6
71.08658	1.7
73.06560	9.6
79.05501	6.8
81.07063	23.2
83.08672	2.5
85.02917	3.7
85.03838	1.7
91.05502	7.3
93.03374	1.7
93.07034	4.6
95.05000	2.2
95.08622	10.4
98.21471	2.9
99.17907	1.9
103.05479	2.3
105.07026	8.5
107.04991	3.9
107.08598	3.3
108.05784	1.8
109.06500	3.2
109.10165	6.5
111.04443	3.5
115.05470	2.5
117.07042	5.8
119.05050	1.8
119.08607	2.4
121.06527	7.9
123.04465	2.6
123.11744	2.1
129.06998	3.4
131.04974	3.3
131.08588	3.5
133.02943	2.4
133.06541	3.4
135.04417	2.8
135.08127	2.3
135.11742	2.2
137.13298	5.9
145.06512	9.2
145.10095	2.8
147.04446	4.9
147.08127	2.5
149.02348	3.8
149.05994	4.2
153.05457	2.6
155.08502	3.3
157.06517	3.0
159.04405	3.0
159.08055	4.5
160.05196	2.0
161.02414	3.0
161.05988	12.9
163.03885	2.7
165.05557	2.4
167.08617	2.0
169.10248	2.8
171.08061	1.9
173.06056	3.9
173.09645	2.9
175.03932	3.6
175.07559	5.8
177.05481	29.5
177.09148	7.7
179.07059	4.5
179.08543	2.4
181.04973	2.6
181.06465	2.7
183.08121	2.0
185.06027	4.1
187.03947	3.8
187.07541	3.2
187.11212	4.1
189.05437	13.1
189.09143	7.4
190.06325	4.1
191.06987	14.0
192.04321	2.2
193.05077	2.2
195.08121	2.8
197.09657	4.0
199.07582	4.7
200.08424	2.7
201.05521	5.9
201.09175	6.5
203.07047	63.2
205.05043	2.5
205.08595	3.9
207.06566	25.0
211.07729	4.3
213.09154	4.9
213.12759	2.1
214.06317	2.6
215.07143	4.1
215.10770	4.6
217.08676	6.5
221.08096	3.1
225.09169	3.2
227.07141	3.7
227.10800	2.7
229.08606	33.6
229.12158	2.4
231.10220	5.0
239.10667	5.2
241.08714	4.8
241.50943	1.7
243.10188	86.8
245.11746	6.7
245.15479	5.4
255.13686	2.3
257.11865	3.5
259.09653	4.4
261.11148	2.3
269.08316	3.0
271.13348	4.9
273.14923	3.5
291.15976	7.9
299.16412	8.5
301.18262	2.4
313.17984	9.3
314.18845	37.5
331.15369	1.2
331.19037	37.6
331.22687	3.2
351.54562	2.3
358.17795	2.0
365.13980	3.3
379.11838	7.5
393.13614	1.9
409.12714	1.7
411.14456	9.5
445.23792	5.3
471.21497	6.3
473.23569	3.0
485.10608	1.8
489.26489	2.5
491.20575	21.8
501.22775	30.6
503.24438	2.2
505.26181	2.5
515.24432	8.2
527.60718	1.7
533.25415	100.0
534.25171	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	533.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.1
67.05521	1.5
69.03407	1.4
69.07073	4.1
69.28971	1.2
69.60926	9.0
71.59119	1.3
79.05522	2.9
81.03395	1.7
81.07055	4.3
85.02918	8.0
91.05502	8.3
93.07035	6.6
95.04974	1.8
98.20791	2.7
104.74065	1.3
105.07039	3.2
107.08587	4.6
115.05440	1.8
117.07020	7.5
119.08593	1.8
121.06513	5.2
121.10155	1.3
125.06034	1.9
128.06311	1.4
129.07036	3.3
131.08598	5.3
133.06454	1.8
135.08043	2.6
135.11707	3.6
141.07074	1.6
142.07787	2.3
143.08572	4.1
145.06473	4.0
145.10176	2.3
147.04405	2.4
147.08096	2.6
149.05980	3.2
153.06944	1.8
154.07809	1.3
155.08588	3.5
157.06514	3.3
157.10123	2.3
159.08086	5.5
161.02399	5.4
161.05988	4.0
163.03941	1.7
163.07552	3.3
165.07083	1.5
167.03319	1.8
167.08669	2.8
169.10152	3.0
171.08051	3.2
173.06050	2.4
175.07576	3.3
177.05481	28.3
177.07056	1.6
177.09073	11.9
178.09886	5.2
179.10727	2.8
184.68335	1.5
185.06000	4.5
185.09610	4.0
187.11203	5.3
189.05457	2.0
189.09148	6.0
189.12816	2.0
191.10703	6.2
195.08078	3.4
197.09631	3.0
199.07637	2.9
199.11232	1.4
201.09045	1.9
203.03430	5.6
203.07043	100.0
211.07558	2.2
213.09109	6.9
213.12766	2.4
215.06821	1.5
215.10686	2.4
217.08681	1.9
217.12267	5.1
225.09175	1.6
227.10742	1.6
227.14362	3.4
229.08611	1.8
229.12321	1.7
229.15964	1.7
239.07095	1.8
241.08604	11.4
243.10159	16.7
245.11674	3.6
245.15413	6.3
247.16875	8.9
253.12341	1.8
255.13745	7.8
257.08075	2.7
257.11890	1.6
261.11267	2.1
269.08112	27.0
273.14828	5.8
281.15421	1.9
282.01382	1.4
287.09171	3.5
295.16977	2.1
313.18100	11.7
321.14828	2.1
331.19025	4.5
339.15930	3.1
351.12262	2.7
379.11743	36.2
411.15210	1.5
447.18088	17.7
465.19559	2.0
475.21014	1.9
479.22339	2.3
497.22980	3.9
501.22787	1.7
515.24323	61.6
516.24670	2.0
533.25623	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	533.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46476	0.8
53.03944	2.7
55.01867	1.3
55.05503	2.8
57.03429	0.8
57.07071	1.9
57.86211	0.9
60.68196	0.8
67.05501	6.3
69.07077	14.5
71.56387	1.1
73.06547	1.2
79.05502	4.8
81.03419	44.1
81.07065	6.9
83.04998	1.3
83.08619	1.3
91.05489	7.3
93.07069	4.7
95.04933	1.5
95.08604	7.7
97.06536	0.9
103.05484	1.2
105.07056	5.0
107.04967	1.5
107.08613	5.1
109.02886	1.3
109.06524	1.8
109.10176	5.1
117.07025	2.4
119.04931	0.9
119.08588	7.1
121.06494	2.4
121.10146	2.8
123.04431	1.3
125.02397	1.1
128.06245	2.1
129.07008	3.6
131.08545	3.6
133.06480	1.9
133.10150	2.7
135.04434	1.3
135.08080	4.3
137.13252	1.7
142.07745	1.2
143.08551	3.2
145.06479	1.6
145.10168	2.1
147.04391	2.9
147.08049	5.9
147.11652	1.4
149.02361	2.8
149.09660	1.7
150.06648	1.0
151.03883	1.8
153.06938	1.4
155.08551	5.4
157.06491	2.0
157.10161	3.4
159.08052	1.9
159.11743	1.1
161.02333	7.3
161.05992	3.5
161.09630	2.4
161.13222	1.6
162.59799	1.0
163.03932	1.4
165.06963	1.4
167.03452	1.5
167.08588	1.1
169.10207	1.7
171.08003	1.2
171.11703	1.4
173.05984	1.1
173.09666	1.9
175.03949	1.5
175.07570	2.5
175.11172	1.2
177.05522	0.9
179.07191	0.9
183.08083	3.6
185.06047	4.4
185.09595	2.0
185.13309	1.4
187.03940	1.6
187.07571	2.1
187.11197	1.7
189.05496	1.5
189.09097	1.4
189.12773	2.0
195.11670	1.5
197.09741	1.2
198.06772	1.4
199.07655	1.4
199.11182	1.5
201.09142	3.0
203.07039	100.0
203.14264	2.0
204.07384	1.3
209.09683	1.2
211.07489	4.9
211.11194	0.8
213.09082	2.8
213.12769	1.2
214.06343	1.5
215.07085	1.3
215.10703	3.8
225.09143	1.6
227.07149	1.8
227.10484	0.9
229.08609	23.3
239.10658	1.2
241.08620	2.6
241.12364	1.5
243.10175	26.3
253.15829	3.4
259.13434	1.0
267.10117	1.0
269.08170	1.1
269.15314	1.9
271.16885	2.8
281.15414	2.9
282.16107	1.7
283.09653	1.3
297.14923	7.1
299.08981	1.0
299.16391	2.4
313.10550	1.2
323.16257	1.3
329.10843	1.1
351.12332	1.2
369.13306	3.1
401.17563	1.2
405.16394	1.1
415.15115	2.0
433.16205	4.6
445.16391	1.2
455.21960	2.8
473.23251	26.7
483.21530	3.3
501.22891	6.9
515.27454	1.8
533.25092	9.8
533.37952	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
62.94422	0.8
67.05504	0.8
69.03424	2.5
69.07047	0.9
69.52471	5.4
70.06587	1.6
71.05012	1.2
76.05701	0.7
78.04727	2.5
79.05494	5.2
81.03421	1.8
81.07041	1.2
83.04996	1.6
85.02906	3.5
91.05487	2.9
93.07069	1.3
95.04965	2.9
95.08626	0.9
97.02905	1.8
99.04466	0.8
99.92794	0.9
103.03989	0.9
103.05475	3.0
105.07052	7.3
106.04179	1.9
107.04965	11.4
107.08607	1.6
109.06535	1.2
111.04444	0.9
115.05447	3.7
117.07024	0.8
118.04144	1.6
119.08575	1.6
121.06539	1.3
121.10111	1.4
123.04439	4.6
123.25431	0.8
124.05249	3.2
125.06017	1.0
127.03951	2.7
128.06210	2.2
129.06996	4.9
131.04956	2.4
132.05765	2.0
133.06499	3.8
133.10162	1.0
134.03661	2.5
137.02347	5.6
137.05989	2.1
141.07010	1.8
144.05771	1.0
145.06516	2.3
147.08031	1.3
148.05148	0.8
149.05992	1.3
151.03976	1.3
152.04706	2.2
153.05481	1.5
157.06496	1.1
159.08078	4.2
160.05226	1.7
161.05992	7.1
167.07053	82.7
169.06465	1.1
171.08112	1.1
175.07556	18.0
176.04694	1.3
177.05508	1.3
178.07841	0.8
179.06940	1.1
184.05208	0.8
185.06091	0.8
187.07544	16.0
189.09210	0.9
190.07738	1.1
191.07042	7.6
191.08554	1.5
197.06029	2.5
199.07568	7.0
202.07689	1.8
203.08485	2.2
205.06702	1.2
206.07318	2.1
207.08081	1.1
209.08073	2.6
209.15474	1.0
213.05515	3.2
214.06267	2.6
215.08597	1.9
215.10657	0.9
218.07317	2.8
219.08038	2.5
221.09698	2.4
225.05486	5.1
229.08604	1.7
231.08195	1.3
232.08945	0.9
233.09647	3.5
234.06813	2.5
235.07515	2.2
242.05957	1.4
246.06882	1.3
247.07626	1.5
248.08408	1.2
249.09196	4.8
251.07112	1.3
253.04970	10.8
255.06717	0.9
259.07507	1.0
260.08368	1.8
261.09143	3.9
263.07050	1.2
269.04443	1.9
270.05249	18.3
277.08658	2.7
278.09479	2.0
281.11777	5.4
285.07599	100.0
286.07971	1.6
287.05518	5.4
289.08621	3.6
291.10181	1.8
293.11722	2.2
294.08920	1.1
309.11292	5.3
321.11258	8.5
322.11945	1.6
326.11386	1.4
341.13828	15.2
353.13776	8.6
361.02298	0.9
478.04214	1.0
533.19574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.7
53.03954	3.3
55.01875	4.7
55.05521	1.4
57.03212	0.7
57.03446	7.2
61.02929	7.0
65.03944	1.8
67.05505	5.9
68.99796	4.5
69.03434	28.2
69.07060	6.4
71.01356	1.2
71.05004	3.4
72.94318	0.6
73.02921	3.9
79.05490	3.8
81.03428	12.3
81.07052	4.8
83.04975	1.3
83.08609	1.0
85.02911	100.0
87.00838	4.6
87.04486	2.3
87.71629	0.8
89.03927	0.7
91.03969	3.7
91.05486	4.4
93.03403	2.2
93.07059	3.3
95.04977	11.9
95.08617	4.1
97.02901	25.7
97.06521	3.9
99.04451	5.8
103.03967	3.5
105.01891	2.1
105.07035	5.8
107.04955	1.9
107.08614	7.0
107.85338	0.6
109.02895	13.4
109.06524	5.6
109.10155	2.2
111.04411	1.2
111.11756	0.9
111.58660	0.6
115.03941	1.7
115.05450	0.9
119.04966	3.7
119.08580	4.9
121.02861	2.4
121.06512	3.0
121.10156	3.1
122.07287	3.5
123.04436	78.1
123.08060	15.2
123.11739	0.8
127.03925	24.3
128.06206	0.7
129.01851	2.5
129.07053	1.3
131.08597	1.4
133.02861	0.9
133.06534	1.6
133.10126	6.2
135.04425	5.3
135.08064	22.1
135.11665	3.0
137.02339	0.7
137.06000	2.9
137.09605	1.2
141.06990	0.8
145.04968	27.0
145.10176	1.7
147.03139	1.3
147.04404	11.9
147.08112	1.3
147.11671	3.6
148.05135	0.7
149.09634	1.1
149.13187	1.4
151.03912	81.9
152.04265	0.9
157.06503	1.5
157.25810	0.8
159.02946	3.0
159.04407	0.8
160.05263	1.1
161.06035	2.8
162.03139	1.0
163.03909	4.7
163.05997	3.7
163.14905	1.7
165.01788	0.9
165.05502	19.0
165.12772	27.6
171.04460	1.7
171.06563	1.1
173.13289	0.8
175.03915	23.7
175.07489	0.8
175.14836	4.4
175.19713	0.7
176.04700	3.1
176.12024	1.9
177.05495	1.7
181.05031	1.0
181.06557	0.7
185.06015	2.6
187.03989	1.1
189.03972	1.7
189.05515	6.7
189.07295	1.3
191.03465	1.3
191.14314	66.1
193.15881	16.4
199.07599	0.7
201.05452	1.5
203.07040	0.9
207.13873	2.3
209.15364	15.1
213.05487	2.5
223.07645	0.8
227.07088	1.9
231.06599	6.3
253.65115	0.7
254.05780	0.8
255.06648	2.2
267.06461	0.8
277.17862	3.0
278.18173	3.0
279.18494	0.8
283.06018	1.4
284.06717	2.6
285.07574	36.0
297.07693	0.8
309.07614	4.5
309.17026	0.9
321.07599	1.2
327.08588	5.1
329.06677	1.0
335.07751	2.5
351.08566	3.5
353.19568	0.6
371.20636	2.4
375.08633	1.8
393.09763	2.9
533.25958	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1295
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
51.60406	0.2
57.34722	0.2
67.97952	0.2
69.74578	1.2
91.08816	0.2
93.01694	0.2
110.09716	0.4
120.08122	0.3
133.10103	0.3
134.03645	2.5
135.69629	0.2
137.02342	5.7
138.09138	0.5
141.06972	0.6
146.05989	0.3
166.08665	1.4
169.06506	0.9
181.06487	0.7
183.04372	0.5
185.05963	0.3
186.06796	0.8
197.06013	1.3
204.06598	0.2
211.07703	0.2
213.05461	3.1
214.06265	3.1
225.05487	6.9
229.08556	1.3
242.05771	0.7
253.04961	7.1
257.08105	0.4
269.04425	2.4
270.05240	16.0
271.05417	0.2
285.07587	100.0
286.07928	1.8
325.11798	0.3
368.09738	0.6
451.48795	0.2
503.11249	0.3
533.12958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01871	0.2
57.03437	0.4
58.24001	0.2
64.39201	0.2
69.03436	2.3
70.81873	0.6
79.05501	0.2
81.03415	1.4
81.07053	0.3
85.02913	2.6
87.00838	1.8
91.05482	0.3
94.98088	0.2
95.04955	0.2
97.02897	3.1
99.04445	0.6
105.01852	0.4
105.03376	0.3
105.06995	0.2
107.04977	0.4
108.02094	0.3
109.02873	0.8
121.02878	2.1
123.04425	0.3
125.06020	0.3
127.03928	1.5
133.02875	0.3
135.04424	1.9
145.04982	0.6
151.03894	2.6
158.07339	0.2
163.03914	1.7
165.12834	0.3
186.06763	0.4
191.14357	0.6
196.05130	0.3
203.53633	0.2
209.15416	0.3
211.07600	1.3
225.05475	0.2
229.08644	0.9
231.04971	0.4
239.06973	0.3
241.04927	0.4
242.05757	7.0
256.07370	0.6
262.87360	0.2
270.05246	3.8
271.05997	0.3
285.07587	100.0
286.07944	2.4
533.32257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52785	0.2
53.69874	0.2
61.77080	0.2
64.65173	0.2
69.95895	0.2
70.32397	0.2
70.69988	0.4
70.70361	0.4
129.09427	0.2
134.03645	3.0
137.02347	6.5
141.06946	0.4
163.14757	0.2
169.06474	0.7
181.06496	0.2
183.04431	0.3
185.05917	0.4
186.06789	0.5
197.05954	2.5
202.60811	0.2
213.05499	3.5
214.06238	3.6
223.88705	0.2
225.05470	8.1
226.05869	0.3
229.08641	1.2
241.04927	0.3
242.05731	0.8
253.04973	11.8
257.08160	0.4
269.04474	2.8
270.05243	19.1
271.05466	0.3
285.07593	100.0
286.07977	2.0
359.52316	0.2
533.12939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1295
Annotation	Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
50.13862	0.1
53.03930	0.6
55.01867	0.2
57.03436	0.3
61.02916	0.2
62.55247	0.1
67.93132	0.1
68.96970	0.1
68.99792	0.2
69.03432	1.8
70.59895	0.2
70.60227	0.3
71.04960	0.2
73.02910	0.3
79.05508	0.2
81.03425	2.0
85.02908	2.3
87.00829	1.4
90.22294	0.1
90.59174	0.1
95.04964	0.3
95.24071	0.1
97.02905	0.9
99.04442	0.6
99.88965	0.1
105.01859	0.5
105.03374	0.3
107.04958	0.2
108.02118	0.4
109.02876	1.3
110.27039	0.1
117.01841	0.3
121.02876	1.8
125.06042	0.3
127.03922	1.5
129.01819	0.2
133.02867	0.4
135.04428	1.4
145.04970	0.4
151.03899	2.2
158.07234	0.2
159.02963	0.7
163.03905	1.3
168.05745	0.2
169.05109	0.1
169.06473	0.3
176.59367	0.1
181.04922	0.2
186.06735	0.2
196.05215	0.2
197.06053	0.2
198.06750	0.2
207.30647	0.2
211.07544	1.1
213.05632	0.2
214.06183	0.2
229.08574	0.9
239.06871	0.2
241.04982	0.4
242.05746	6.5
243.95963	0.1
256.07285	0.3
257.08066	0.2
270.05222	3.9
284.06537	0.1
285.07581	100.0
286.05026	0.2
286.07944	2.6
482.68393	0.1
535.28497	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	533.1294
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
53.65427	0.1
55.01860	0.1
67.01884	0.1
68.61840	0.1
68.99793	0.3
69.03422	0.2
69.87614	0.3
79.05480	0.2
81.03416	0.2
85.02904	0.3
87.00839	0.1
90.04705	0.1
97.02902	0.1
103.05496	0.2
104.46476	0.1
105.07021	0.3
107.04924	0.3
109.02870	0.2
111.00761	0.1
116.01564	0.1
118.04159	1.2
118.04932	0.1
119.04949	0.2
121.02841	0.2
123.04438	2.1
124.01569	0.9
127.03912	0.4
131.04890	0.1
133.06499	0.5
135.04413	0.1
139.03899	0.2
141.06940	0.1
145.02785	0.1
145.06416	0.1
146.40800	0.1
147.04372	0.1
149.02354	2.4
152.01053	3.4
153.01820	1.3
158.03656	0.6
159.02884	0.1
159.08011	0.1
161.09607	0.1
163.03882	0.2
167.03494	0.1
169.06497	0.1
170.02109	2.4
173.05959	0.1
179.03383	0.7
183.04410	0.1
183.08130	0.1
185.05914	0.1
186.06738	0.3
187.07629	0.1
197.06015	0.6
198.06795	0.1
200.04640	0.1
201.05486	0.2
201.09213	0.1
211.07512	0.1
213.05492	1.2
214.06171	0.4
215.06824	0.1
225.05428	0.2
226.06303	0.1
229.08626	3.8
241.02768	0.1
241.04990	0.6
242.05740	3.3
243.06494	0.1
252.04204	0.6
253.04977	3.0
253.07626	0.1
254.05690	0.1
255.06567	0.1
257.08060	0.2
269.04462	2.8
270.05237	5.7
271.05695	0.1
283.06381	0.1
285.07581	100.0
286.07941	2.0
447.12839	0.3
533.13000	0.5
533.25531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01864	4.9
55.05504	3.3
57.03439	3.1
61.02920	1.9
63.13928	1.1
66.00605	1.3
67.05484	4.6
69.03133	1.6
69.03436	17.9
69.07048	3.1
71.04978	4.8
71.46711	2.7
71.56531	1.3
72.08131	1.2
73.02909	4.3
74.66200	1.2
74.84612	1.3
79.05479	4.2
81.03422	18.1
81.07043	8.7
83.04968	3.1
83.08608	1.5
85.02429	2.3
85.02909	31.2
85.06546	100.0
87.00819	9.8
87.04484	1.8
91.05483	6.1
93.07040	8.3
95.04937	5.8
95.08599	5.5
97.02882	12.3
97.06526	4.4
99.04471	9.7
103.03941	6.5
103.07578	10.0
105.01862	5.0
105.07030	8.9
107.04926	1.9
107.08605	6.1
109.02882	17.3
109.06499	4.8
109.10168	3.6
111.08064	2.1
117.01832	1.9
117.07005	1.8
119.08581	9.6
119.99532	1.4
121.06506	2.6
121.10158	9.5
123.08060	4.2
123.11675	1.5
125.05966	2.0
127.03928	27.3
131.08560	5.1
133.10136	3.8
135.08020	5.1
135.11742	2.9
137.05884	1.7
137.09608	3.1
143.08530	1.8
145.04977	11.5
145.10115	7.2
147.08040	4.7
147.11638	2.5
149.09621	5.0
151.07541	1.7
153.09096	1.7
159.02907	8.4
159.07953	1.4
159.11662	4.1
161.09557	3.5
161.13240	3.4
163.11183	31.7
165.09120	2.9
165.12689	1.7
166.36786	1.3
167.06985	1.4
169.10114	1.5
171.11696	1.7
173.09654	1.8
175.03964	1.4
175.11130	1.9
177.05443	2.0
179.10678	2.8
181.12225	5.9
183.11607	1.7
183.84909	1.3
189.04031	1.8
189.12753	5.9
191.10674	4.3
201.12709	1.6
205.12225	1.6
205.15924	1.8
207.13783	8.9
209.11746	7.8
223.13329	2.6
225.14824	5.4
231.04945	3.0
232.84529	1.4
237.24466	1.5
247.16946	18.8
265.18008	20.5
283.05881	5.7
429.17780	1.9
513.23480	7.4
531.17981	5.8
531.24811	13.0
531.31470	2.8
556.88153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1296
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
60.66163	0.1
64.82671	0.1
64.99519	0.1
69.03401	0.2
70.84132	0.2
81.03403	0.1
85.02872	0.2
87.00782	0.1
91.05443	0.1
95.01324	0.2
97.02869	0.1
105.06997	0.2
107.04963	0.5
109.02814	0.1
117.23611	0.1
118.04126	0.3
119.04995	0.1
121.02869	0.1
121.06470	0.3
123.00800	0.6
123.04422	0.7
124.01564	0.2
125.02303	0.1
127.03896	0.2
129.07031	0.1
132.05673	0.1
133.06447	0.4
134.07249	0.1
139.03915	0.2
140.06224	0.2
141.06950	0.1
149.02341	0.1
151.00253	0.2
152.01048	6.0
152.06168	0.2
153.01848	0.9
153.07019	0.5
157.06419	0.2
158.07278	0.1
168.04364	0.1
168.05713	1.5
169.06480	0.2
170.02098	1.3
179.03412	0.2
180.05695	0.1
181.06468	0.2
183.08057	4.2
184.08412	0.1
186.06786	0.5
196.05174	1.1
197.05917	0.4
198.06734	0.1
199.07439	0.1
201.08980	0.1
210.66171	0.1
211.07542	3.6
213.05461	0.5
214.06258	0.6
224.04671	0.2
225.05498	0.2
226.06239	0.1
229.08607	8.9
230.08931	0.1
239.07030	2.1
241.04886	0.3
242.05754	1.6
253.04962	1.2
257.08035	0.2
267.06497	0.1
269.04443	1.7
270.05246	2.3
270.08194	0.1
284.06842	0.2
285.07578	100.0
286.07919	1.9
447.12787	0.3
489.13751	0.4
533.12933	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	533.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75291	0.1
69.03419	0.1
69.07067	0.1
70.44125	0.2
70.44494	0.2
79.05502	0.1
79.81962	0.1
81.03410	0.1
85.02896	0.2
87.00801	0.1
91.05492	0.1
93.07026	0.1
95.04996	0.1
97.02882	0.1
98.21480	0.1
102.05537	0.2
105.03368	0.1
105.07027	0.2
107.04959	0.5
110.42736	0.1
111.28900	0.1
118.04173	0.3
119.04948	0.1
121.02870	0.1
121.06528	0.3
123.00810	0.8
123.04448	0.7
124.01557	0.3
131.04918	0.1
133.02832	0.2
133.06454	0.2
137.02379	0.2
139.03903	0.2
139.05495	0.1
140.06213	0.3
141.06985	0.1
147.04399	0.1
151.00323	0.2
152.01056	6.4
152.06230	0.2
153.01822	0.8
153.07030	0.5
158.07262	0.1
165.07085	0.1
168.05705	1.5
169.01279	0.1
169.06485	0.1
170.02112	1.3
179.03404	0.4
181.06520	0.2
183.08064	4.3
186.06770	0.5
191.14355	0.1
196.05203	1.1
196.67612	0.1
197.05974	0.4
198.06638	0.2
209.15479	0.1
211.07552	3.7
213.05460	0.5
214.06297	0.8
224.04651	0.2
225.05435	0.5
226.06070	0.3
227.06093	0.3
229.08609	8.5
239.07039	2.2
239.09256	0.2
241.04945	0.2
242.05783	1.5
253.04976	1.3
254.05330	0.3
255.05788	0.2
257.08078	0.2
269.04419	1.7
270.05240	2.3
283.06049	1.1
284.06366	1.2
285.07584	100.0
286.07925	1.6
533.12891	0.2
533.33014	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	531.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.9
55.01878	5.3
55.05505	4.8
57.03431	5.8
61.02927	3.7
67.05508	5.3
69.03434	25.0
69.07062	3.0
71.04992	5.7
71.58469	2.1
71.58877	1.6
72.08170	1.7
73.02920	6.2
79.05518	3.7
81.03423	30.3
81.07069	6.1
82.06561	1.9
83.04991	2.8
83.08599	2.3
85.02908	39.0
85.06549	100.0
87.00845	20.3
87.04461	4.7
91.03931	2.1
91.05485	7.0
93.07042	7.4
95.04957	4.0
95.08589	6.9
97.02903	15.6
97.06522	2.4
99.04473	10.1
99.08081	2.4
99.50794	1.8
101.25166	1.8
102.05550	3.8
103.07623	3.8
105.01862	8.2
105.07027	7.7
107.08607	8.5
109.02885	27.0
109.06537	4.8
109.10165	6.6
111.08100	3.0
113.05988	2.7
115.03963	1.7
117.01856	3.8
117.07012	1.7
118.06525	1.8
119.08575	10.0
121.06514	4.0
121.10140	9.5
123.08088	4.1
127.03923	35.9
129.01849	2.9
131.08569	3.8
133.10124	8.0
135.08038	8.6
135.11694	5.0
137.05997	3.6
137.09601	3.2
143.08508	2.4
145.02911	2.1
145.04962	11.9
145.07631	5.4
145.10153	6.4
147.11732	2.1
149.09605	3.1
151.07590	2.8
151.11209	2.9
157.10204	3.5
159.02901	10.8
159.08096	1.7
159.11714	5.8
161.09567	9.7
161.13295	6.3
163.11200	27.8
171.23100	1.7
173.13327	3.1
175.11278	2.1
177.05533	2.2
177.12730	2.1
179.10690	13.2
179.14294	3.3
181.12218	3.7
187.14893	2.7
189.12766	3.3
193.04947	4.1
193.12328	2.3
203.14278	1.6
205.12399	2.8
205.15895	5.3
207.13808	4.6
211.14754	2.0
221.15395	5.7
229.15891	6.1
231.05060	4.6
247.16948	47.6
265.17984	59.6
265.20807	2.9
266.18646	1.7
283.05890	2.5
301.06870	2.9
495.22290	2.4
499.18762	3.9
513.23633	10.2
513.29663	2.0
531.17883	4.1
531.24371	22.8
531.32257	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	531.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85422	1.2
53.01394	1.5
53.03910	1.3
55.01852	2.0
55.05486	3.1
57.07055	1.8
67.05486	4.3
67.07873	1.4
68.99786	2.4
69.07082	8.6
69.07384	2.4
69.74133	6.2
79.05495	7.9
81.03416	3.1
81.07065	15.5
83.04954	1.9
85.02888	3.5
87.04443	4.2
91.05479	12.0
93.07039	11.5
95.01282	1.4
95.04978	1.6
95.08617	6.6
103.05466	1.7
104.99995	1.4
105.07054	8.5
107.04967	2.6
107.08595	9.3
109.02880	1.6
109.06530	8.7
109.10123	4.4
111.04411	1.9
117.06995	5.2
119.04884	2.6
119.08541	4.1
121.02821	3.2
121.06526	10.0
121.10094	4.4
123.04368	1.8
123.08039	2.6
123.11617	1.4
129.06990	3.0
131.05074	1.4
131.08522	5.1
133.06422	2.0
133.10138	3.1
135.04385	3.1
135.08018	4.2
135.11658	6.8
137.05928	1.7
139.07542	2.5
142.07765	2.1
143.08536	3.0
145.06451	4.7
145.10069	3.3
147.04350	3.3
147.08064	1.6
147.11671	1.6
148.05167	2.9
149.02255	1.7
149.05972	9.1
151.03871	2.1
151.07564	7.2
155.08528	3.8
157.10107	3.8
159.04349	2.1
159.08005	3.8
159.11659	2.1
160.01558	1.5
161.02278	1.4
161.05989	2.9
161.09566	1.9
163.03885	3.8
165.07010	2.2
167.03377	3.5
167.07095	1.7
167.08479	2.1
169.10088	2.0
171.07986	2.3
171.11664	1.8
173.05954	2.5
175.03932	2.9
175.07561	1.4
177.01793	5.9
177.05476	47.0
177.09065	6.3
179.07063	13.3
179.08548	2.3
180.09280	1.5
183.07996	3.3
185.05968	1.5
185.09572	2.4
186.68224	1.4
187.07553	3.6
187.11102	1.9
189.05424	3.4
189.09044	3.8
191.07060	7.0
191.10614	3.2
192.07790	2.1
193.10141	2.4
195.07985	3.8
195.11586	2.4
197.05936	1.5
198.06743	1.5
201.09204	3.1
203.03410	19.9
203.07040	13.0
204.04170	3.0
209.09619	1.9
209.11443	1.6
211.07509	4.2
213.09088	6.3
215.06996	5.3
215.10522	1.8
217.04976	3.0
217.08565	1.4
217.12180	2.7
219.06540	100.0
225.09033	3.9
227.06987	1.8
227.10413	1.5
229.08527	4.5
229.15865	9.3
235.05917	3.3
239.06946	2.4
239.10699	1.7
241.08543	3.1
242.05702	1.7
243.06529	1.4
243.10130	2.6
245.11618	4.4
245.15280	4.2
247.16945	3.4
255.13809	7.5
257.07968	8.9
257.11575	1.7
259.09637	8.1
267.17172	2.2
270.05252	2.6
273.07462	5.0
273.14737	5.9
281.11795	1.4
281.15286	1.9
284.10480	1.5
285.07596	73.2
286.07819	2.5
287.09082	2.3
295.16888	3.0
297.10983	1.9
303.08701	1.8
313.18063	9.7
339.15881	4.1
341.10251	2.4
349.10623	2.0
367.11694	5.9
395.11160	28.6
395.15811	2.3
463.17108	13.6
473.19440	2.9
499.20941	3.5
513.22449	9.3
530.50494	2.2
531.23560	65.4
531.39301	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	531.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.05527	1.2
59.05005	1.9
61.12687	1.1
67.05503	1.8
69.07067	3.4
70.06559	4.5
71.43929	1.3
79.05482	3.0
80.54698	1.1
81.03408	1.6
81.07056	1.5
83.00464	1.2
85.02900	1.9
91.05486	5.0
93.07053	4.8
105.07054	3.1
107.04991	2.0
107.08578	2.0
109.06549	3.9
115.05436	2.3
117.07037	2.0
119.08571	3.1
121.06490	3.4
128.06256	1.7
129.06981	5.6
131.08565	1.4
133.06522	1.6
141.06978	2.6
143.08580	1.7
145.06541	2.2
147.08107	2.8
149.02374	2.2
151.07481	1.4
152.06178	1.6
153.06995	2.4
155.08556	5.0
157.06529	3.0
157.10118	1.7
159.08090	5.4
161.02357	7.7
161.06018	3.5
163.03821	1.2
163.07576	1.5
165.07091	2.7
166.07800	2.5
166.79596	1.1
167.08585	4.9
169.10173	1.8
171.08063	2.5
173.05997	3.0
175.03905	1.3
175.07536	6.9
177.05463	8.2
177.09158	2.5
178.07809	1.9
179.08591	4.6
181.06425	3.2
181.10150	3.0
182.07291	2.5
182.11002	1.2
183.08026	3.1
183.11725	2.1
185.05994	5.8
185.09589	2.7
187.03938	3.9
187.07593	5.9
187.11201	1.4
189.05525	2.0
189.07518	1.2
189.09068	6.4
192.09406	1.6
193.10106	5.4
195.08034	10.4
195.11719	2.8
196.08881	1.6
197.05972	1.4
197.09645	4.4
198.06816	2.9
199.07524	5.5
199.11252	2.4
201.09158	3.3
203.07048	100.0
203.67061	1.1
204.07559	1.6
205.08478	1.4
205.10229	1.5
207.08157	1.7
207.11661	2.4
208.08972	2.0
209.09604	4.6
209.13225	2.0
211.07527	3.5
211.11223	3.2
212.08209	1.5
213.09148	14.0
215.10643	1.9
217.10352	1.3
218.10928	2.8
219.07928	1.6
220.08842	1.4
221.09584	2.4
221.13333	1.6
222.10522	1.2
223.07668	6.5
223.11189	2.8
225.09099	6.7
225.12720	3.2
226.06273	1.5
227.07022	3.1
227.10681	3.5
227.14240	1.8
229.08481	2.3
233.13354	3.2
235.11238	3.8
236.12076	3.0
237.09145	4.1
237.12729	3.2
239.10658	2.9
241.08641	15.5
241.12134	2.6
243.10211	12.7
243.13809	8.7
245.15442	5.6
246.10385	2.2
248.11974	1.2
251.10736	1.6
251.14314	7.7
253.12312	7.2
255.06578	2.1
255.10202	11.2
255.13814	2.0
257.08102	1.5
257.15298	2.6
261.12781	2.5
263.10800	1.8
267.13821	2.1
268.10953	1.5
268.14737	1.6
269.08133	28.7
269.11102	1.2
269.15369	2.8
271.09683	2.1
271.13336	7.1
278.12988	1.6
279.13852	5.2
283.13998	2.0
283.16983	13.5
293.15399	3.8
305.11914	1.7
311.16428	50.9
337.14432	9.1
379.11826	5.1
413.13928	1.5
415.15442	1.6
425.13733	1.5
445.16623	2.1
455.18463	2.9
481.20047	4.7
495.21545	6.1
513.22784	69.9
514.23175	3.2
531.23651	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	531.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89226	0.1
63.14348	0.1
66.15340	0.2
70.71847	0.4
89.03950	0.3
113.47219	0.2
113.63874	0.2
115.05442	0.3
128.37602	0.1
129.06999	0.5
133.41164	0.1
137.02353	0.3
141.06998	1.7
152.06181	0.2
155.04904	0.5
157.06516	0.3
169.06499	2.0
181.06482	0.6
183.04433	1.9
197.05992	3.3
199.07552	0.1
204.89822	0.2
209.06012	0.2
224.04680	0.2
225.05473	20.2
226.05852	0.2
227.06999	1.3
253.04971	18.7
254.05191	0.2
255.06557	0.3
265.05057	0.2
283.06018	100.0
284.06326	1.2
531.11279	0.4
542.09552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01326	0.2
69.42671	1.2
81.07057	0.3
85.02883	0.3
89.03941	0.4
93.07022	0.2
107.08592	0.2
109.02929	0.2
115.05474	0.2
127.03983	0.2
129.06990	0.3
131.04915	0.2
131.05972	0.2
133.02827	0.2
137.02357	0.2
139.06146	0.1
139.20454	0.2
141.06998	2.0
155.04913	0.4
157.06544	0.4
169.06483	2.5
181.06514	0.6
183.04439	1.7
197.05988	3.5
224.04660	0.3
225.05484	20.8
227.07037	1.6
253.04988	19.6
255.06577	0.4
278.20325	0.2
283.06036	100.0
284.06323	1.4
505.75220	0.2
531.31140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85280	1.9
53.03934	6.3
53.44709	2.5
55.01882	2.4
55.05512	22.4
57.03448	16.6
59.05010	2.6
67.05510	34.9
69.03447	2.8
69.07067	6.5
69.29958	5.3
69.30368	15.3
71.04988	8.8
79.05502	36.4
81.03420	76.4
81.07059	33.9
83.04987	27.6
83.08620	26.8
85.02914	29.2
91.05483	46.3
91.27338	2.5
93.07058	26.0
95.04975	35.4
95.08624	15.9
97.02880	4.7
97.06519	4.8
97.10173	5.6
101.97411	2.3
105.07030	30.9
107.04958	9.5
107.08591	9.1
109.06525	4.9
109.10149	5.3
111.04499	2.6
111.08074	11.9
113.06033	3.2
115.05466	3.0
116.91771	2.5
118.95325	2.1
119.08582	26.4
121.06531	2.7
121.10153	13.2
123.08068	4.1
125.09637	2.4
129.07047	13.5
131.08589	17.5
133.10101	16.0
137.09567	2.6
142.07774	5.9
145.10147	2.9
147.08055	3.1
147.11693	19.0
149.09615	5.2
157.10115	17.2
165.12787	4.3
175.11201	21.0
186.00725	2.2
193.10419	2.7
193.12238	78.7
211.13301	100.0
267.15857	27.3
285.16971	84.4
354.33029	2.5
459.27310	6.6
477.28259	11.0
495.29541	26.5
530.34863	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	529.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.1
69.03425	1.4
69.18812	10.7
70.06580	1.7
71.05003	1.7
72.26921	1.0
84.08117	1.0
85.02889	3.2
85.86604	1.1
91.05492	1.4
97.02857	1.7
98.21595	2.1
98.97581	3.8
105.07073	1.1
110.97588	1.9
115.05470	1.2
116.98660	1.3
118.06544	20.1
127.11189	2.7
130.06522	1.4
132.08078	6.4
134.57959	1.1
135.05293	1.0
142.06517	1.8
143.07256	3.2
144.08110	14.1
145.12303	1.9
146.06015	64.4
159.09171	6.3
170.05980	4.8
188.07076	100.0
201.00728	1.1
205.09729	44.8
237.02730	3.4
423.17499	1.2
529.12720	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43372	2.1
53.03937	6.2
55.05527	13.9
57.03426	3.3
57.07073	5.9
57.79313	2.7
65.03934	4.9
67.05508	36.2
68.99767	4.4
69.07072	36.3
71.58495	3.0
71.58907	2.7
73.06573	2.9
79.05498	31.7
81.03415	3.0
81.07060	100.0
83.08615	10.1
89.05996	3.3
91.04967	4.8
91.05493	67.6
93.07048	46.4
95.04970	6.6
95.08613	40.8
97.02892	2.3
97.10194	4.0
105.06376	5.0
105.07040	62.4
107.08608	22.7
109.06516	6.9
109.10169	18.0
111.00825	4.3
117.06989	7.5
119.08595	17.2
121.10155	15.2
123.11716	3.3
127.03892	10.6
129.07004	7.2
131.08591	13.0
133.06528	4.7
133.10161	11.1
135.11699	19.8
137.13266	6.2
143.08585	6.0
145.06483	3.1
145.10149	11.7
147.11685	6.1
149.02335	3.2
149.13243	9.1
151.03874	3.4
155.08562	5.1
157.10152	4.6
159.04263	2.6
159.11700	7.8
161.05954	3.0
161.13196	4.0
165.06976	4.7
169.10089	3.9
173.13284	5.4
177.05446	5.1
177.12752	3.7
179.08516	3.1
181.09987	2.7
183.08075	5.7
185.13258	4.2
187.03918	5.6
191.07112	7.0
193.08597	11.9
197.09521	4.8
199.07500	2.7
199.14873	5.2
201.09021	3.1
201.16350	2.9
203.07060	21.1
205.05104	4.3
205.08641	2.6
209.09587	4.4
209.13229	3.0
223.11371	2.5
225.09077	3.4
227.18105	3.2
232.19855	2.3
241.08478	3.5
241.37285	2.6
253.08655	5.2
259.09683	17.9
261.14877	21.2
263.07086	5.9
265.08621	36.8
266.09070	2.9
267.10074	4.0
293.07956	3.0
303.06595	4.6
305.11551	3.0
307.09390	3.3
309.11014	2.7
309.14429	2.9
319.09811	3.1
325.14270	7.7
329.04050	3.4
331.13293	3.8
333.11267	6.9
339.08600	3.5
345.14746	3.4
347.09012	8.8
361.10999	6.5
361.14243	71.5
362.11212	5.0
365.13943	16.3
375.19916	2.9
379.15314	7.9
387.19559	33.0
392.12683	8.2
393.13257	21.9
437.35168	3.4
455.37341	3.2
485.26273	5.8
501.26163	9.7
511.24991	2.4
511.32159	38.0
529.26471	36.3
529.32721	6.6
529.39032	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
56.05037	1.0
60.04520	1.8
62.29626	0.8
65.23634	0.8
67.05465	1.1
69.03418	2.9
69.07083	4.2
69.21201	0.9
69.63184	0.9
70.06597	8.8
71.04990	1.5
72.08166	5.1
78.43204	0.9
79.05457	1.4
81.03410	3.9
81.07057	2.2
84.08151	5.4
85.02908	2.5
85.06580	0.9
86.09304	0.7
86.09721	6.9
89.03915	7.4
91.05471	2.1
93.07037	1.6
95.04964	1.5
97.02904	1.3
98.97626	0.9
99.04440	1.5
102.05531	1.4
107.08597	1.1
109.02906	1.3
109.10161	1.0
112.07617	46.0
113.05974	2.1
116.07068	1.2
117.02609	1.6
117.03389	23.8
121.10188	1.3
125.54895	0.9
127.03929	1.6
129.10213	1.3
130.08652	32.6
132.10258	1.2
135.04428	1.9
145.02858	54.4
148.09642	1.3
149.05988	8.8
154.08627	4.5
171.35629	1.1
172.09702	43.8
175.14784	1.3
177.05482	100.0
178.05952	1.2
190.10754	31.7
195.06596	1.4
243.13564	1.0
256.07419	1.1
321.09671	5.7
339.10797	4.6
475.44763	1.0
510.18420	1.3
528.23163	2.2
529.26514	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	527.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.4
55.01867	9.1
55.05510	17.3
56.96577	10.9
57.03425	6.9
57.07077	7.3
61.02930	6.4
65.03933	2.3
67.05508	25.9
68.99791	6.5
69.03433	49.0
69.07076	23.3
71.04987	7.4
71.08640	2.7
71.57996	2.4
71.95256	2.2
73.02922	7.8
79.05508	16.7
81.02132	1.9
81.02972	3.6
81.03426	46.7
81.07064	63.4
83.04983	8.7
83.08624	15.3
84.96039	3.4
85.02911	100.0
85.06554	5.5
87.00834	36.4
91.05484	9.3
93.07053	16.2
95.04964	6.7
95.08616	49.5
97.02901	30.6
97.10188	15.3
98.97578	10.7
99.04482	15.1
99.08086	3.1
105.01870	22.1
105.07050	11.0
107.08598	18.2
109.02891	37.2
109.03590	3.4
109.06506	5.9
109.10175	24.8
110.97578	2.5
111.04454	25.5
111.11723	8.0
115.03954	3.3
116.98643	3.4
117.01832	4.5
117.06989	4.2
119.08569	13.8
121.06514	3.8
121.10169	12.3
123.08103	2.5
123.11704	12.1
125.09605	2.4
125.13274	3.5
127.03925	70.8
128.98648	3.8
129.01880	3.8
129.05502	4.5
131.08594	5.5
133.10123	6.1
135.11693	8.9
137.13251	6.6
143.08600	2.6
145.04967	17.9
145.06085	2.1
145.10149	5.8
147.02898	3.7
147.08017	2.7
147.11763	5.8
149.09709	2.5
149.13264	9.2
150.76521	2.3
151.14874	5.0
151.29253	2.2
157.10136	4.2
159.02878	20.1
159.08110	1.9
159.11752	4.7
165.16435	2.6
169.10162	2.0
171.11746	2.6
173.13330	3.1
189.03943	2.2
197.04524	2.8
213.04008	3.9
219.01752	4.7
231.05046	13.2
237.02884	4.8
267.16537	2.0
269.14270	6.5
271.15799	17.6
277.25293	7.7
279.26761	12.9
281.14261	3.9
283.15817	5.0
287.15231	2.9
289.16843	5.8
303.26730	2.5
329.46219	2.4
331.49017	2.2
333.05853	1.8
347.22366	3.3
349.20667	3.2
365.23703	7.3
369.27881	13.8
383.24564	5.1
387.28973	5.6
407.24573	4.7
409.26270	2.5
423.31174	2.5
483.26117	3.0
509.30664	3.9
527.29114	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
55.05502	0.9
67.05499	1.1
69.03432	1.3
69.07046	1.0
69.26191	4.1
70.06586	0.7
73.69617	0.5
79.05492	1.0
80.05905	0.5
81.03429	0.9
81.07058	2.2
81.37459	0.6
85.02882	0.8
86.09734	0.7
91.05491	1.0
92.16016	0.4
93.07034	1.2
95.04973	0.5
95.08607	1.1
97.02921	0.7
99.04479	0.8
101.44574	0.5
105.07015	1.2
109.02940	0.6
109.10249	0.6
110.35422	0.4
110.97703	0.5
119.08632	0.8
125.09731	0.6
127.04038	0.8
131.08516	0.8
133.10114	0.6
137.06075	0.7
137.09555	0.6
173.13455	0.6
179.30910	0.5
218.13890	3.1
251.14963	0.7
261.18323	1.0
279.19482	3.3
365.24921	0.6
388.15610	0.6
423.23480	2.2
441.24698	7.8
465.24631	6.8
483.25711	16.5
484.26135	0.8
509.23639	24.6
527.24683	100.0
528.24963	2.9
528.35236	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13060	1.3
55.05492	3.6
57.07071	2.4
59.04984	5.1
67.05509	8.2
69.03426	3.1
69.07071	4.8
69.75101	1.3
71.08605	1.3
71.58964	2.1
79.05484	7.3
81.03414	4.7
81.07067	8.2
83.04980	1.6
83.08604	2.1
89.06020	5.5
91.04958	1.8
91.05488	22.2
93.07037	6.9
95.04962	2.7
95.08601	5.6
100.82856	1.2
102.89216	1.2
103.05448	5.2
104.09228	1.2
105.03365	1.8
105.07053	9.7
107.04913	1.3
107.08578	5.9
109.10173	6.4
111.74236	1.2
115.05437	3.1
115.24213	1.2
117.06982	3.6
119.04958	1.2
119.08577	4.8
121.10152	4.4
123.11697	1.4
125.05926	1.3
128.06168	1.2
129.06978	3.9
131.04915	2.9
131.08566	4.8
133.08604	3.5
133.10126	3.9
135.11699	3.3
141.06981	2.1
143.08548	3.1
145.10150	4.0
147.04408	3.8
147.07947	1.5
147.11716	2.1
149.02330	3.7
149.05954	1.6
149.13226	1.5
155.08575	1.8
157.10149	3.1
159.04456	6.0
159.11679	3.4
161.05971	2.4
161.13248	2.2
163.07465	1.4
163.11328	1.3
167.03375	4.7
167.08549	1.5
171.08087	2.6
171.11626	1.3
173.13264	1.6
175.03914	16.8
175.07582	4.9
177.05411	2.3
177.11276	1.3
179.08600	6.6
181.06520	1.8
181.10075	2.1
187.03931	12.0
187.07501	4.3
189.09038	1.9
193.12231	3.1
197.09525	2.0
199.07626	6.6
203.07025	14.1
207.08017	3.5
211.07477	1.5
212.08447	1.5
215.07039	1.6
217.08522	9.2
225.09056	6.5
227.07115	8.7
235.07582	7.9
237.09145	2.1
245.08087	4.4
253.08615	44.6
253.12312	1.8
263.10654	2.1
265.08600	8.8
265.11868	2.1
269.08017	1.6
275.10693	1.5
281.11740	48.2
282.12091	1.5
283.13275	5.4
293.11658	1.9
295.13284	6.2
305.11749	24.1
323.12808	54.0
325.14288	4.7
327.19977	1.4
435.32553	2.7
527.31366	100.0
527.37335	8.1
528.31738	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	527.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22413	0.7
55.05502	1.0
67.05507	0.9
69.03440	1.8
69.07069	0.8
71.58309	0.9
79.05475	1.2
81.07061	1.3
85.02879	1.3
91.05450	1.8
93.07026	1.6
95.08601	1.9
97.02877	1.1
98.97577	1.2
105.07018	2.1
107.08578	2.1
109.06519	0.7
119.08583	1.2
121.10101	1.0
133.10114	1.2
135.11659	1.1
136.07759	0.9
145.10092	1.2
147.08266	0.7
149.09686	0.8
152.58618	0.7
218.13972	1.0
245.06470	1.0
251.14876	1.2
261.18365	1.7
279.15854	0.9
279.19229	4.8
289.05334	1.3
290.13791	0.8
321.19186	1.3
423.23615	1.5
441.24570	5.5
465.24530	4.9
483.25681	19.4
509.23645	22.6
527.24634	100.0
528.25140	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	527.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99548	0.8
55.05505	1.9
62.92105	0.8
64.92141	1.0
67.05490	1.6
69.03422	1.6
69.07062	1.2
71.58453	1.0
72.82384	0.8
73.66097	0.8
79.05501	1.2
80.05713	0.7
81.03412	1.7
81.07076	4.5
85.02902	1.7
91.05470	1.6
93.07037	2.5
95.04966	1.1
95.08612	2.5
97.02866	1.0
99.04442	1.5
105.07034	1.3
107.08596	2.7
108.08137	1.0
109.02830	1.3
109.06461	1.3
109.10140	1.3
119.08569	1.3
119.26934	1.0
121.06477	1.0
121.10130	1.6
127.03899	1.6
133.10167	1.6
135.11700	1.8
137.74797	0.8
139.01779	0.8
147.04433	1.3
147.07986	0.9
166.60434	0.9
190.08733	0.9
203.05275	1.4
207.23059	1.0
216.68930	0.9
243.04726	4.6
245.06372	4.1
261.18213	3.0
263.19861	3.2
279.16553	1.4
279.19397	8.5
287.03751	31.3
289.05307	43.2
321.19077	1.0
362.14526	1.0
441.24411	4.7
458.12186	1.0
470.46768	1.0
483.25778	15.7
509.24426	0.9
527.24664	100.0
528.24994	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	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08257	0.8
67.05512	1.4
69.03427	1.5
69.07080	1.5
70.06584	3.9
71.05002	1.2
71.58176	1.5
79.05453	1.4
81.03405	1.7
81.07059	3.6
85.02910	1.7
86.09721	2.2
91.05483	3.3
93.07040	3.8
94.04504	0.8
95.04967	1.2
95.08604	3.1
97.02888	1.9
98.97585	1.5
99.04471	5.5
105.07053	3.6
107.08597	3.5
109.02911	1.2
117.07001	1.1
119.08608	3.8
121.10149	1.9
123.11703	1.1
125.09675	1.0
127.03960	1.9
133.10159	4.2
135.11736	2.4
137.06012	1.3
138.09036	0.9
146.49300	1.0
164.52786	1.0
175.14896	1.7
177.09184	0.8
193.08553	0.8
223.09734	0.9
261.14954	2.3
275.07425	1.4
279.12540	1.6
279.16016	2.6
315.71017	0.9
319.46777	1.0
335.09515	67.0
434.42703	1.0
467.15393	1.1
483.16425	2.3
527.16119	5.8
527.24744	100.0
528.25079	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	527.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.96557	0.5
57.03424	0.6
61.02895	0.5
67.05492	1.2
69.03419	0.7
69.07054	0.8
69.63600	1.0
69.64008	2.1
71.04990	0.7
73.85327	0.5
77.24078	0.4
79.05478	1.1
81.03439	0.6
81.07042	1.7
85.02905	1.3
85.06516	0.6
91.05455	1.1
93.07044	1.4
95.08600	1.7
97.02868	0.7
97.06501	0.5
98.97533	0.7
99.04478	0.6
103.05439	0.4
105.07026	1.7
107.08607	1.0
109.10123	1.0
119.08601	0.9
121.06488	0.7
121.10202	0.5
123.11598	0.5
125.09665	0.5
127.03901	1.1
133.10141	0.5
135.11743	0.6
137.05988	0.6
158.11780	0.9
209.17613	0.5
218.13918	3.0
227.05173	1.0
251.14958	0.6
255.06631	0.5
261.18472	1.1
279.19440	4.2
305.34473	0.5
315.08685	0.6
321.20343	0.6
423.23550	1.9
441.24551	7.2
465.24686	6.0
483.25665	19.2
509.23599	25.9
510.24081	0.7
527.24658	100.0
528.25024	4.0
528.35291	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95278	3.2
55.01836	3.0
61.02958	3.2
67.05487	4.6
69.03420	10.3
70.06588	12.2
71.05006	6.5
71.56069	4.9
76.34492	2.7
79.05476	3.9
81.03412	7.2
81.07055	4.9
82.97362	2.5
85.02900	30.8
87.04452	6.8
91.04974	3.2
91.05493	47.6
91.06026	5.7
93.07030	4.3
95.04984	3.3
95.08675	2.8
97.02887	9.7
97.88673	2.5
99.04440	12.5
105.07043	62.6
109.02879	6.6
109.14746	2.8
115.03936	8.0
121.10151	3.3
126.99111	2.9
127.03920	3.9
131.04929	9.0
131.08568	8.1
133.04987	8.4
133.06444	5.1
133.39268	2.7
142.85562	2.7
149.09596	5.1
156.90765	3.1
159.08099	3.1
163.11212	3.1
167.07118	3.2
175.07516	12.1
177.05498	3.7
215.10690	24.6
223.09767	3.5
233.11731	100.0
253.65034	3.0
257.11807	2.9
261.14822	9.0
272.25311	3.3
279.15997	6.5
292.07120	2.9
321.07639	3.8
330.67444	3.6
375.08313	4.1
423.13528	3.4
527.23511	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94761	0.2
55.01875	0.2
55.05496	0.2
56.96551	0.3
57.78999	0.2
64.86262	0.2
65.03934	0.3
67.05490	0.6
70.95135	0.6
79.05499	0.3
81.03375	0.2
81.07042	0.4
87.00858	0.3
91.05471	0.5
93.07059	0.2
95.04988	0.3
98.97583	0.4
103.05469	0.3
105.07043	0.8
107.04947	1.0
109.10130	0.2
117.06985	0.3
117.53665	0.2
118.04177	0.4
118.06491	0.2
119.08598	0.2
121.06517	0.5
123.00790	0.8
123.04446	0.9
129.07036	0.4
130.05565	0.4
130.06525	5.2
131.04871	0.2
131.08699	0.2
132.08118	1.5
133.06445	0.6
135.04333	0.3
137.05966	0.4
137.09576	0.4
142.06537	0.7
143.07199	0.3
151.03911	1.5
152.01054	4.7
152.04222	0.6
153.01805	0.7
153.07008	0.6
154.06522	0.6
156.06889	0.5
156.08075	0.9
157.07594	2.9
158.06020	0.8
158.08397	0.3
159.09181	3.2
160.07555	0.3
161.05971	1.3
167.07089	0.6
168.05743	1.5
170.02118	1.5
171.08025	0.6
171.09267	1.1
177.05475	0.9
178.05856	0.4
179.03430	0.3
181.06470	0.3
183.05597	0.4
183.08041	4.4
184.07634	0.7
185.07195	1.3
186.06802	0.4
191.07021	0.6
192.07784	0.6
193.08057	0.3
196.05232	0.9
197.06061	0.2
199.08681	4.1
200.09573	0.3
201.10262	0.8
202.05650	0.2
211.07556	3.5
213.05527	0.3
214.06274	0.8
223.02794	0.6
226.06316	0.2
227.08218	1.9
229.08615	7.9
239.07054	2.0
242.05777	1.5
243.07745	0.4
244.08492	2.5
245.09215	3.4
253.04980	0.9
255.06554	7.0
257.08148	0.4
265.06293	0.4
265.56372	0.4
269.04541	1.6
270.05209	2.5
274.06863	0.4
274.57034	0.3
281.07651	0.4
281.57816	0.3
283.05984	3.2
285.07584	100.0
286.07913	1.2
292.58090	0.3
327.08646	0.7
343.11734	0.9
353.06384	0.2
355.05902	0.3
355.10367	0.6
355.60492	1.6
356.05701	0.3
356.10669	0.4
363.61069	0.6
364.10931	1.8
364.60922	3.0
365.10892	0.6
369.19522	0.3
371.07639	8.7
372.61432	0.2
373.11365	0.7
373.61450	0.9
376.21872	0.2
384.62173	0.3
385.12311	0.8
424.11850	0.5
438.29559	0.2
459.09576	0.3
527.14264	0.4
527.33026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.5
56.96580	1.5
57.03439	0.5
61.02929	0.4
66.43157	0.3
69.03434	1.0
69.55978	0.7
69.56394	1.6
70.06604	0.7
72.08161	0.8
73.02932	0.4
79.05504	1.1
81.03427	0.7
84.86385	0.3
85.02917	2.9
87.04463	0.6
91.05518	0.9
91.70956	0.3
93.07038	1.9
95.04948	0.5
95.06142	0.3
97.02897	1.7
98.20752	0.6
98.97588	3.7
103.05471	6.8
105.07021	0.5
107.04973	2.3
109.02869	0.3
110.07146	0.4
110.97573	0.7
112.07690	0.3
112.99135	0.4
115.03973	0.4
116.98617	1.0
119.99228	0.3
120.08114	100.0
121.06516	0.4
121.08432	0.7
127.03929	0.7
128.98538	0.4
129.42828	0.3
130.08603	0.6
131.04936	2.9
134.99635	0.4
136.06201	1.0
137.05995	0.5
138.05489	0.3
140.07065	0.4
143.63115	0.3
145.04950	0.7
147.04433	0.7
149.05980	2.3
157.00237	0.3
158.99666	0.9
166.08650	49.2
167.07048	1.0
170.99667	0.4
177.00711	0.8
181.08554	0.6
199.09708	0.6
212.06235	0.7
215.05821	0.3
219.01720	1.6
225.11142	0.3
237.02779	1.8
243.07994	0.3
288.55740	0.3
361.08167	0.4
380.12875	0.4
423.11447	0.4
526.27740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49842	1.9
56.96569	40.7
66.14871	2.3
67.05501	4.4
70.98122	2.2
71.08692	4.5
71.09029	2.3
79.05494	4.8
81.07064	3.0
84.96009	3.0
91.05481	9.2
93.07031	3.8
95.08598	2.5
105.07049	7.0
107.04961	2.4
107.08559	4.2
109.10125	3.1
119.08545	3.7
121.10225	3.3
125.02328	2.7
131.08575	2.7
143.08632	2.2
147.11685	2.5
151.03926	4.3
153.01840	4.8
157.10239	2.3
163.00684	2.6
171.11890	2.0
179.07123	3.4
181.01686	4.1
185.06030	2.6
192.00969	9.1
193.01750	2.6
203.07069	8.4
207.03244	3.0
209.01137	2.7
210.02039	3.8
217.01813	2.4
218.99719	13.7
231.03322	2.5
233.01357	2.9
233.04878	4.6
234.06985	2.1
237.00636	12.4
251.05946	9.3
253.08940	2.2
259.02789	4.1
261.04181	2.3
267.10196	2.9
269.07791	2.9
274.07556	2.6
277.03940	4.0
281.04901	2.8
283.02838	3.5
283.06500	3.0
286.01566	4.3
297.07596	3.7
299.05835	8.6
301.04022	4.8
301.07550	6.2
303.05481	3.2
304.02719	2.5
305.04416	2.3
311.05801	2.7
313.10684	21.6
317.06918	3.6
321.04108	3.2
323.05811	5.1
325.03824	3.0
325.07419	3.7
325.14325	2.6
327.05392	6.2
331.06567	2.8
333.04300	2.9
333.07877	3.6
335.05972	7.8
337.03903	3.5
339.05432	8.1
341.06845	4.0
347.05927	3.2
349.07324	7.6
351.05334	6.1
353.06924	8.4
357.06171	4.5
357.10129	4.3
359.06226	8.6
361.03726	4.2
363.05408	6.3
365.03168	3.2
365.06946	3.3
365.10739	4.1
367.08792	4.8
369.06454	6.5
371.07983	8.5
375.05295	4.3
377.06982	33.9
378.07846	2.7
379.04803	7.5
379.08789	5.6
381.06393	6.5
383.11716	7.7
387.07455	3.0
391.08545	13.8
393.06107	11.8
394.07190	5.0
395.08087	54.5
396.08710	5.7
397.09576	9.3
400.08548	2.9
409.09601	53.8
409.20874	3.0
411.11453	30.9
413.08987	9.4
418.09726	5.2
421.06018	4.9
423.10886	7.0
427.10675	36.9
429.12552	12.1
432.11261	10.4
435.07748	7.4
441.12360	17.7
445.11664	2.6
453.08481	17.1
467.10159	100.0
471.09576	4.6
476.10312	3.9
485.11273	95.1
495.16626	3.0
503.12207	11.4
508.12842	21.7
527.33014	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	526.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01349	0.8
69.42619	7.6
76.72922	0.9
79.05492	1.6
80.04996	1.2
81.05794	1.2
81.07063	1.8
82.06579	3.7
85.02892	1.2
89.03920	1.4
91.05502	1.1
93.07040	3.8
94.06583	7.3
95.07338	3.6
96.08143	14.5
97.02887	1.9
97.06547	1.5
98.03252	0.9
98.21606	1.4
103.05440	1.0
105.01894	0.9
105.07050	0.9
106.06578	4.0
107.07355	0.9
108.04467	4.6
108.08122	12.4
110.08988	1.3
110.09692	13.6
116.04993	8.4
120.04490	1.7
120.08110	11.3
122.06047	8.5
122.09576	0.9
124.07601	50.6
127.03958	5.4
128.04283	2.2
132.04483	1.1
134.06042	1.2
136.07588	12.2
138.09145	19.1
140.07103	1.3
144.04457	14.6
146.06046	10.4
148.07599	6.1
150.05484	0.9
152.07051	7.6
154.08632	1.0
160.03951	8.3
162.05490	3.8
166.08656	40.3
167.08971	1.6
168.06589	5.6
172.03952	45.0
173.04691	1.5
174.05579	5.1
174.64534	0.9
190.05003	65.3
192.06589	1.1
204.06586	35.8
206.08109	3.1
211.08717	1.1
211.12277	1.2
221.10803	1.0
223.12352	1.9
225.10292	3.0
229.13530	1.0
236.09488	2.7
237.10237	2.5
238.10889	1.0
240.08832	0.8
241.09639	1.2
249.10197	1.1
250.11081	1.3
251.11693	4.2
252.08961	3.1
253.09821	1.9
255.11363	1.1
264.08853	1.5
265.09772	2.1
267.11172	2.6
269.09598	1.0
273.12396	1.1
279.11261	9.0
281.09274	3.3
287.10321	2.8
289.05264	1.1
290.05679	1.0
293.09140	1.1
295.10715	4.1
296.11249	1.3
297.12344	18.4
299.10327	6.3
301.11816	1.1
307.10782	5.8
311.10425	1.0
313.11789	3.1
323.10284	9.5
325.11859	100.0
326.12210	1.7
329.11374	23.9
341.11310	16.2
343.12973	8.1
353.11362	3.1
357.14444	2.4
373.13806	3.0
448.18719	2.0
452.18137	6.1
476.18240	12.6
494.19266	58.7
495.19543	2.8
508.21082	4.4
526.23053	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	526.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66012	0.6
56.00063	0.7
63.13660	0.7
67.05487	0.9
70.48186	2.5
72.05875	0.6
79.05479	2.2
80.05008	2.0
81.03429	0.6
81.07037	0.7
82.06567	2.3
82.85265	0.6
83.43864	0.6
89.03944	1.0
91.05472	1.5
93.07040	2.1
94.06577	6.2
95.05000	0.8
95.07341	2.7
96.08139	11.1
97.06505	1.0
98.06088	1.2
103.05421	1.0
106.06541	2.3
107.07334	0.8
108.03790	1.3
108.04485	16.6
108.08112	11.5
110.09677	8.4
116.04995	6.6
117.36506	0.7
118.06506	0.7
120.04423	0.8
120.08112	8.1
122.06034	11.0
124.07595	36.5
132.04395	1.1
134.06021	1.2
136.07585	10.3
138.09148	16.5
140.07063	1.6
144.04453	9.8
146.06023	14.0
148.07581	4.5
150.05504	2.5
152.07036	5.2
160.03922	4.0
162.05458	3.7
166.08661	17.3
166.10072	1.0
167.09061	0.7
168.06578	15.4
172.03938	40.5
173.04761	1.6
174.05504	12.8
190.04996	51.2
191.05478	1.0
192.06543	1.2
204.06570	32.9
206.08144	13.2
207.09113	1.1
208.09842	1.4
209.10706	0.9
220.21825	0.8
221.10649	0.8
223.12303	1.6
225.10204	0.8
226.10869	0.9
236.09444	2.1
238.10794	0.9
239.12030	0.9
251.11795	3.5
254.87906	0.7
264.08978	2.5
265.09512	0.7
267.11276	1.0
268.09540	0.7
269.12881	1.1
277.53159	0.7
278.10593	1.3
279.11288	7.9
287.10297	2.0
295.10559	0.8
296.11691	0.9
297.12299	16.2
299.10269	1.6
307.10809	8.0
313.11783	3.1
323.10239	7.9
325.11829	100.0
326.12140	2.3
329.11325	6.0
339.13321	1.1
341.07501	1.2
341.11334	13.2
341.15073	1.3
343.12830	8.0
357.14420	1.8
359.12433	1.6
361.13458	1.0
373.14005	7.7
448.18549	1.8
450.19949	0.9
452.18262	3.2
466.19571	1.5
476.18167	7.4
480.21622	0.7
494.19244	62.5
495.19440	1.3
508.20895	6.1
512.20160	2.4
526.23053	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	526.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
58.38696	0.6
65.03921	0.9
67.05501	1.2
69.03420	1.0
69.90971	0.5
79.05476	1.1
80.05014	0.6
81.03430	0.9
81.07047	1.7
85.02856	0.6
93.07050	1.0
94.06573	2.0
95.04938	1.1
95.08621	1.0
97.02866	0.9
105.07033	2.4
106.06558	1.8
107.07354	9.1
108.08122	1.9
109.02857	0.6
110.09660	0.8
120.08118	1.6
121.08880	1.2
121.10162	0.8
122.09682	15.0
122.28055	0.7
135.06825	4.1
137.05997	0.7
138.05525	1.2
138.09148	0.9
146.06026	6.6
148.07576	1.3
150.09155	100.0
151.09486	1.1
166.05016	1.3
174.05534	0.8
204.06479	0.7
206.08168	2.4
211.08646	1.1
222.07730	0.6
223.08690	1.4
225.10233	2.1
237.10220	6.9
238.11038	0.8
239.08209	3.1
239.11803	1.4
240.08882	0.7
241.09773	2.1
251.08212	1.8
252.08861	1.0
253.09758	6.9
254.08279	0.9
255.11395	0.8
265.09747	14.5
266.10513	1.2
267.07681	3.3
267.11172	3.5
277.09396	0.7
281.09247	7.2
283.10858	4.6
287.10211	0.9
293.09238	8.5
295.10736	11.1
299.10245	2.3
301.11923	2.9
302.07150	0.7
309.09094	0.9
311.10217	4.5
313.11926	4.4
321.08765	4.8
322.07373	0.9
327.09769	9.2
330.12399	0.8
339.09766	15.4
341.11371	3.4
353.11212	2.3
359.12408	7.2
371.12442	7.7
372.13794	0.8
402.18140	3.0
420.19165	1.3
430.17575	2.8
432.19284	1.9
436.18881	1.4
448.18729	15.6
449.17978	0.7
450.20258	2.7
476.18216	34.5
477.17978	1.4
490.19754	4.2
508.20786	7.7
518.07446	0.7
526.23083	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	526.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.3
55.05517	4.4
57.07061	2.2
64.04676	1.9
67.05503	7.0
69.03434	3.2
69.07066	5.6
70.06583	4.1
71.04990	2.2
71.58334	3.3
71.58698	2.4
79.05484	5.1
80.05006	2.6
81.03415	2.2
81.07045	7.7
82.06566	6.9
83.08618	3.5
84.49653	1.9
85.02902	3.7
85.06539	4.9
91.05477	7.7
93.07066	17.9
94.06577	14.6
95.07357	16.0
95.08631	9.5
96.08134	34.5
97.06537	5.4
99.08092	3.4
100.11252	4.3
103.05463	3.9
105.03361	2.9
105.07008	4.7
107.08601	5.1
108.04422	2.3
108.08120	18.7
109.08929	4.2
109.10158	3.1
110.09693	68.1
120.07344	3.4
120.08115	37.4
121.10144	3.3
122.06062	2.4
133.51376	2.0
136.07581	6.9
138.09146	62.1
140.06995	2.5
146.06059	3.5
147.11646	2.2
148.07562	13.1
166.08652	100.0
182.15369	3.7
199.08720	6.8
204.06584	6.6
206.08147	4.3
210.14934	4.3
211.08713	18.6
212.09451	5.3
213.06564	4.3
213.10286	7.7
214.18738	2.5
224.09363	3.1
225.06616	6.7
225.10191	16.4
227.08162	3.3
227.11772	4.2
229.09718	5.0
239.11774	17.0
240.08893	4.0
241.09711	7.0
245.12833	12.0
253.09787	14.6
254.10623	3.8
255.11339	19.5
267.11276	20.4
268.11920	5.2
269.12665	2.3
281.09296	2.6
283.10825	20.3
285.12314	11.6
295.10770	13.3
297.12149	3.0
299.10474	3.0
301.11780	23.9
309.28073	2.5
311.10254	3.2
313.11841	64.4
314.11792	2.2
323.10178	15.0
325.11743	6.2
329.11359	46.9
329.14850	1.6
341.11365	26.1
347.12424	2.5
353.11990	2.7
361.13971	97.3
373.13797	12.3
391.79337	2.0
448.18439	3.2
466.19617	8.7
476.18091	7.7
480.20819	4.2
494.19296	85.5
508.20856	18.8
526.22125	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	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19440	9.2
55.05518	10.4
56.43330	9.3
62.27372	10.7
66.36618	9.9
67.05512	24.2
69.07063	28.8
69.98026	49.7
75.77670	8.8
78.86461	9.6
79.05491	20.9
81.07066	100.0
83.08592	14.6
85.02901	27.9
85.06545	29.4
93.07041	35.8
95.08618	91.4
97.10148	14.9
98.20838	12.7
99.08093	29.9
105.06998	11.0
107.08585	37.1
109.10162	70.8
119.08601	10.0
121.10139	26.1
122.17923	9.2
123.11710	32.4
124.07571	12.4
127.03893	9.5
135.11652	11.3
137.13222	20.3
138.09029	9.7
140.91479	8.4
149.13257	41.1
163.14842	27.9
166.08618	10.3
172.03963	8.6
177.16373	19.2
190.04973	30.3
204.06543	16.0
217.19489	14.8
273.25858	15.5
277.10858	16.3
291.26752	49.3
309.27829	28.8
325.11771	37.5
425.29333	12.0
494.19012	31.9
525.23340	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	5.2
55.05500	12.8
56.86398	5.9
57.07055	7.8
59.73209	5.7
67.05508	19.7
68.69027	5.6
69.07070	28.9
69.91340	23.6
79.05482	10.4
81.07064	100.0
83.08636	9.2
84.89498	6.3
85.02903	11.9
85.06534	30.5
93.07040	33.5
95.08613	71.1
96.08188	8.4
97.10158	7.3
99.08104	28.5
105.07041	11.6
107.08584	38.8
108.08150	7.8
109.10175	49.0
110.09669	23.3
111.08076	16.6
119.08578	7.0
120.08060	12.3
121.10149	32.7
123.11718	28.1
133.10150	8.1
135.11728	14.4
137.13234	14.0
138.09120	20.2
139.09505	11.9
139.11185	8.8
147.11719	8.4
147.86572	6.2
149.13316	29.5
162.62888	5.5
163.14799	16.9
166.08643	27.1
167.08987	16.9
177.16417	24.5
181.51915	6.0
186.35707	6.0
186.75636	6.6
191.18137	6.0
191.69841	5.8
195.17477	24.8
209.18782	6.7
211.20862	5.6
213.18483	82.1
214.27249	7.5
240.12132	6.5
253.09793	7.2
264.73956	7.0
266.09979	6.6
289.05286	11.9
291.26904	24.6
297.27963	10.8
309.27899	52.0
312.10773	6.8
327.28818	34.1
339.09961	6.8
359.12228	7.3
360.12717	10.3
371.12903	7.5
372.12631	13.8
447.17108	6.3
465.18433	17.2
475.16220	6.1
493.18002	18.6
507.22238	10.8
525.22797	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	525.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.3
57.03429	4.8
63.19301	4.5
67.05488	4.7
69.03428	21.0
69.07067	13.4
69.26518	42.5
70.06577	6.7
81.03414	8.2
81.07050	11.6
83.04995	5.0
85.02901	22.2
85.06538	5.4
87.04462	11.8
91.05473	14.2
93.07050	13.2
95.04968	5.3
95.08602	24.5
96.08081	5.6
97.02880	19.9
97.10211	4.6
98.97632	4.6
99.08089	14.4
105.07073	4.3
107.04898	5.7
107.08582	22.3
109.10186	9.2
115.03922	20.0
117.03403	4.9
121.10154	40.7
125.09634	4.5
133.04953	15.6
135.11707	6.6
137.13278	5.2
138.09206	4.9
139.11147	5.0
139.83922	4.6
149.13332	6.1
156.10185	12.6
169.58842	3.9
177.05414	5.1
177.16391	100.0
195.17424	36.6
211.77560	5.3
212.32274	4.8
213.18556	21.0
301.07175	5.4
422.91232	5.9
525.14172	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	525.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.6
55.01868	3.7
55.05513	8.6
56.96560	2.6
57.03423	5.1
57.07060	5.6
61.02921	3.8
65.03947	1.9
67.05508	21.3
68.99786	2.6
69.03072	2.0
69.03435	34.9
69.07076	7.3
71.04982	4.3
73.02905	4.7
79.05492	8.5
81.02972	1.9
81.03424	22.1
81.07059	18.7
83.04995	7.5
83.08636	2.5
85.02909	27.7
85.06548	65.6
87.00843	16.0
91.05490	12.1
93.07053	12.9
94.06512	1.9
95.04972	6.8
95.07352	2.8
95.08608	26.3
96.08118	5.0
97.02890	12.6
97.06526	3.1
97.10137	1.9
98.97578	7.2
99.04478	8.2
99.08099	82.6
101.02353	1.5
103.05447	2.9
105.01858	7.3
105.07036	26.1
107.08591	15.2
108.08111	5.9
109.02887	20.5
109.06525	9.4
109.10147	12.5
110.09698	12.9
111.04415	1.4
111.08083	2.5
112.99156	1.4
115.03868	2.5
116.98605	1.4
117.07025	3.0
119.08579	30.2
120.08076	6.6
121.06519	3.6
121.10149	32.6
123.08052	8.2
123.11731	6.7
123.61330	1.4
125.05991	3.3
125.09631	14.6
127.02972	1.5
127.03923	26.9
128.10709	1.3
129.01845	3.1
129.06984	1.7
131.04858	1.8
131.08527	6.3
133.06480	1.5
133.10133	19.1
135.11700	4.6
136.07558	6.2
137.05956	2.8
137.09630	6.8
138.09123	14.6
139.11191	7.2
143.08556	6.1
144.09387	1.6
145.04955	10.5
145.06332	1.6
145.10123	8.8
147.08000	2.8
147.11693	34.1
148.07588	2.1
149.09596	2.0
149.13249	2.8
151.07571	1.8
151.11153	3.9
154.73563	1.3
156.09380	3.0
157.10147	8.4
158.51553	1.4
158.99667	2.0
159.02895	9.8
159.11736	9.3
161.09668	3.6
161.13255	4.2
163.11157	3.6
165.09070	2.0
165.12785	18.8
166.08647	28.1
170.10873	1.9
171.11699	8.7
173.13248	6.9
175.11220	5.5
175.14862	3.8
177.12685	2.6
179.07062	2.3
179.14343	13.2
181.12161	1.7
185.11877	1.6
185.13306	11.4
189.12700	2.9
189.16388	2.2
190.13536	3.4
191.14322	1.8
193.12315	1.6
199.14828	11.6
201.16399	13.0
203.14296	7.1
217.15829	4.2
219.01685	1.9
231.05026	3.5
233.11674	1.8
235.16972	1.6
238.08665	2.4
241.19563	7.3
254.08109	3.1
259.20587	100.0
259.71152	1.8
260.21014	3.1
266.08145	3.7
268.09677	3.1
269.07608	1.6
277.21631	12.7
282.07730	1.5
285.07602	2.6
286.07755	1.6
287.07910	2.0
294.07523	2.6
296.08936	1.8
312.08566	3.5
313.07104	2.0
314.07504	2.1
315.07834	2.9
340.08145	5.1
341.10089	2.3
372.10535	12.0
439.19791	2.0
457.21042	3.9
481.23679	2.6
493.16122	2.6
507.16202	2.4
525.15454	2.4
525.26733	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	525.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19674	1.6
52.28610	1.2
53.03954	7.3
55.01871	5.0
55.05511	10.5
57.03434	4.4
57.07077	8.4
61.02916	4.3
67.05508	21.7
68.99792	2.3
69.03432	41.1
69.07079	7.9
70.72515	2.6
71.04984	4.3
72.08212	1.4
73.02916	4.7
79.05488	9.1
81.03423	29.6
81.07062	19.0
82.14624	1.2
83.04965	5.0
83.08617	1.5
85.02417	2.7
85.02909	36.5
85.06548	67.9
87.00827	17.5
87.04470	2.0
91.03998	1.8
91.05496	10.2
93.07052	13.2
95.04966	6.4
95.08621	27.6
97.02905	17.3
97.06538	2.3
97.10130	1.4
98.97560	1.9
99.04480	9.3
99.08100	86.7
101.08733	1.5
105.01878	8.1
105.07040	24.8
107.08598	17.0
109.02893	22.2
109.06519	13.5
109.10156	14.6
110.06038	2.9
110.09717	1.5
111.08071	2.4
113.09673	1.6
117.01846	2.4
117.07035	3.1
119.08586	36.8
121.06537	2.0
121.10144	29.9
122.05995	2.3
123.08063	8.8
123.11683	9.3
125.05989	3.2
125.09636	20.9
127.03916	29.5
129.01851	2.6
129.06897	2.3
131.08562	5.0
133.10135	17.1
135.08052	3.8
135.11679	4.7
136.07574	2.5
137.09633	8.5
137.13263	2.4
139.06329	1.8
139.11179	6.0
143.08569	6.9
145.05005	8.7
145.10138	10.6
147.08032	2.3
147.11697	32.1
149.09621	2.4
149.13248	2.3
151.11153	4.6
153.96033	1.5
156.09308	2.4
157.10124	12.4
158.10831	1.8
159.02887	10.2
159.11684	10.5
161.09648	5.2
161.13292	6.0
163.11127	1.9
165.09059	2.4
165.12782	18.5
170.10913	2.4
171.11678	6.2
173.13277	4.4
175.11253	7.1
175.14854	6.0
177.12830	2.5
179.14334	16.0
185.13271	14.8
187.14925	1.8
189.12770	5.3
190.13538	2.7
191.14294	2.0
199.14818	13.7
201.16402	14.9
203.14259	7.3
217.15872	1.9
231.05066	6.9
241.19547	8.3
259.20584	100.0
261.21930	1.8
277.21649	10.0
356.78616	1.5
457.21423	1.9
481.23965	2.8
525.27765	29.2
544.38354	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	525.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
55.01863	4.1
55.05523	7.2
57.03440	5.4
57.07085	5.8
58.50595	1.1
61.02919	3.8
67.05510	20.1
68.69389	1.1
68.99785	2.8
69.03433	34.3
69.07053	5.0
69.28377	9.0
69.28793	2.5
71.04977	3.6
73.02904	4.3
77.15455	1.2
79.05470	6.1
81.02976	2.1
81.03423	26.7
81.06644	1.6
81.07067	19.9
83.04958	4.9
83.08604	1.8
85.02909	32.3
85.06548	71.3
87.00829	15.0
91.05482	8.9
93.07051	11.6
95.04983	6.0
95.08613	25.1
97.02892	12.4
97.06525	2.6
99.04459	7.6
99.08096	81.3
105.01884	7.9
105.07037	22.7
107.08608	12.6
109.02882	19.9
109.06524	11.9
109.10151	11.2
111.08072	2.1
113.09676	1.4
117.01833	2.9
117.07018	3.2
119.07774	2.2
119.08587	27.4
121.06480	1.4
121.09301	2.3
121.10143	33.3
123.08060	7.4
123.11668	6.3
125.05962	4.4
125.09626	16.0
127.03921	27.6
129.01831	2.0
129.06995	2.4
131.08571	4.2
133.06416	2.3
133.07442	1.1
133.10127	15.6
135.08069	2.0
135.11700	4.7
137.09615	7.5
137.13252	3.0
139.11192	6.3
142.07704	2.0
143.08562	5.7
145.04980	8.6
145.10144	9.0
147.02835	2.0
147.07988	2.7
147.11700	31.7
149.09589	1.9
149.13242	3.3
151.11169	4.9
155.08470	1.1
156.09331	2.6
157.10149	9.5
159.02937	10.7
159.11702	11.5
161.09647	1.8
161.13286	8.0
163.11180	1.4
165.09148	1.7
165.12753	20.6
170.10928	2.8
171.11710	7.2
172.01848	1.1
173.13257	6.2
175.11188	4.7
175.14835	5.6
177.12762	3.4
177.16339	1.5
179.14322	15.1
184.12518	1.5
185.13281	14.5
187.14822	2.6
189.12743	4.4
190.13461	2.4
191.14288	2.5
199.14854	11.7
201.16386	13.7
203.14377	5.4
216.36282	1.1
217.15849	3.6
221.15329	1.6
231.04953	4.0
241.19505	9.0
259.20584	100.0
260.20822	3.3
277.21677	11.4
481.24011	1.8
507.22079	1.5
525.15118	2.3
525.27386	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	525.2311
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
53.03951	0.4
55.05508	0.9
57.03436	0.6
57.07084	0.7
67.05513	2.1
69.03424	2.1
69.07085	2.1
71.04997	0.5
71.57690	0.9
73.02954	0.6
79.05489	1.8
81.03419	1.5
81.07061	8.4
83.05002	0.5
85.02921	2.2
85.06529	2.9
87.00817	1.0
91.05488	1.3
93.07042	2.8
95.04980	0.6
95.08602	5.3
97.02905	1.6
97.06533	0.5
97.10179	0.7
98.97593	1.2
99.08095	1.9
105.07021	2.3
107.08594	2.3
109.02908	1.2
109.06547	1.0
109.10176	2.1
111.08090	0.7
111.11707	1.0
115.06734	0.4
117.90335	0.4
119.08611	1.7
120.08060	0.5
121.06523	0.4
121.10164	1.9
123.11730	1.3
125.09699	0.7
127.03901	1.3
133.10138	1.3
135.11684	1.1
137.06047	0.7
137.13275	2.1
138.09155	0.6
139.11229	0.5
143.08519	0.7
145.10139	1.2
147.11687	1.5
149.13303	1.2
155.14357	0.8
157.10155	0.6
158.31203	0.4
159.11621	0.9
166.08708	0.9
167.07095	0.6
171.11652	0.5
173.15372	1.3
175.14909	0.6
201.03683	0.5
201.16451	0.4
203.03535	0.5
203.05295	1.2
217.15764	0.5
231.05064	0.5
243.04810	1.6
245.06425	1.3
259.16699	4.7
259.20609	2.5
261.18274	9.8
277.17761	16.8
281.25616	0.5
287.03732	9.8
287.06564	0.8
289.05316	12.3
291.26920	0.8
315.05072	0.5
327.29178	0.5
421.22098	0.8
439.23093	4.4
463.23126	1.0
481.24173	23.4
507.22015	3.1
525.23096	100.0
526.23877	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	525.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	7.3
63.18198	0.7
69.90255	3.9
71.95255	2.1
98.97590	100.0
116.98630	55.0
134.99670	17.5
138.05647	0.9
140.00153	0.9
153.00720	2.4
172.94385	0.8
189.08119	0.8
214.95439	0.9
219.02032	0.9
232.96524	2.0
234.99982	1.5
240.98666	7.8
250.97972	0.8
256.96552	2.7
258.99786	87.6
259.99973	2.5
261.00253	1.1
261.03107	3.3
274.97632	10.1
275.97910	1.6
277.00842	77.6
278.01126	2.2
282.01355	2.5
282.99936	3.8
288.92111	1.8
292.98663	3.3
298.97964	2.8
299.98026	1.4
300.02451	1.4
301.01126	3.2
314.95596	0.9
316.98901	3.9
317.98969	1.4
318.98859	1.6
332.96536	0.8
359.00284	1.1
382.99829	23.7
384.00192	1.2
398.97891	1.2
401.00983	63.6
402.01138	2.9
419.02292	8.5
424.02542	3.1
440.98914	1.6
441.99173	1.8
443.02402	1.3
459.00336	1.4
459.99792	1.2
507.47278	0.9
524.94446	0.9
525.01184	16.1
526.01190	1.3
542.99030	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	525.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84161	0.7
53.03949	1.4
53.91748	0.7
65.78498	0.8
67.05503	3.7
69.03422	3.1
69.07064	1.0
69.87520	3.1
70.60941	0.7
71.67801	0.7
77.59079	0.7
79.05495	3.7
80.05032	1.5
81.03423	2.2
81.05745	0.7
81.07051	1.8
82.06572	2.1
83.08598	1.0
85.02898	3.9
85.06551	6.3
91.05501	5.0
93.07057	10.5
94.06573	8.7
95.04925	1.5
95.07359	8.2
95.08603	3.7
96.07551	1.5
96.08138	19.8
97.02909	1.8
97.06544	2.1
97.54934	0.8
98.97573	0.9
99.04481	0.8
99.08095	4.9
103.05526	1.4
105.07025	2.1
107.08577	2.5
108.08131	15.8
109.02867	1.6
109.06525	1.3
109.08923	1.0
109.10133	1.1
110.09686	35.1
119.08595	2.9
120.08112	24.9
121.10149	2.9
123.06806	1.9
123.08124	1.0
123.11697	0.9
125.09605	1.0
127.03911	2.0
131.08588	1.1
133.10114	2.2
136.07593	14.5
137.05952	0.9
138.09148	42.0
144.42172	0.7
145.10162	1.1
147.11664	2.7
148.07597	9.7
157.10228	0.7
161.13298	0.7
165.12770	1.8
166.08652	100.0
167.07166	0.7
167.08971	1.5
175.11192	1.1
179.14372	1.3
198.09174	0.8
199.14842	1.1
201.16397	1.4
210.09181	3.0
212.10698	1.4
219.55002	0.8
224.07086	3.3
226.08658	3.4
228.32407	0.9
238.08632	10.1
240.06552	3.5
240.10222	1.6
241.19621	0.9
242.08115	2.0
250.08647	1.7
252.06516	3.4
254.08130	7.1
255.08757	1.1
256.09735	1.3
259.20544	8.2
266.08139	14.0
268.09637	6.0
270.07611	2.9
277.21640	1.6
282.07559	3.8
284.09106	3.7
294.07602	6.6
296.09210	3.7
300.08752	1.3
312.08649	14.4
314.10056	1.0
317.13004	0.8
322.06989	3.5
328.08170	2.2
332.11658	0.8
340.08194	15.3
346.09183	1.0
348.14600	0.8
354.09698	1.2
360.10797	5.6
372.10794	36.9
373.11206	1.5
377.14923	2.2
405.14490	1.2
419.15961	2.2
429.14224	0.8
431.15546	1.3
437.17004	1.4
447.15598	3.3
465.16779	3.7
475.14932	2.2
479.18350	1.1
493.16324	8.0
507.17587	3.2
525.22180	2.4
525.28937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99927	2.2
55.05508	10.8
57.03432	10.6
57.07066	3.6
58.28669	2.3
58.29058	2.3
59.05001	5.5
67.05507	100.0
69.07065	9.8
71.08635	2.9
71.49297	2.5
71.58584	2.4
71.58942	2.5
76.38775	2.5
79.05494	25.7
81.03413	5.4
81.07060	31.9
83.08620	7.2
85.06552	3.1
89.06036	2.3
91.05488	17.8
93.07047	26.0
95.08611	25.6
97.10204	3.6
105.07014	8.3
107.08598	12.2
109.10159	66.7
116.59269	2.3
117.07005	4.7
119.08581	8.4
121.10153	9.5
123.11666	5.3
131.08522	6.7
133.10147	5.1
135.11678	6.7
137.09630	4.4
145.10162	3.7
147.11792	3.5
149.13300	3.5
155.10669	4.3
170.69370	2.7
172.97385	2.6
173.11766	16.5
173.13072	4.0
185.37157	2.9
206.96245	2.5
214.38161	2.5
229.14363	63.1
261.22256	14.2
267.15781	3.5
314.27771	4.7
317.24722	2.6
335.25812	72.6
486.37625	2.6
489.35727	40.2
524.32556	3.3
544.17102	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	524.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
55.36603	0.3
56.05030	1.2
57.03434	0.7
57.07076	3.0
58.06611	1.3
59.13339	0.3
60.08167	16.6
65.98000	0.3
67.05510	1.5
69.07057	1.1
71.07379	7.0
71.08634	2.3
71.58920	0.4
73.20932	0.3
76.12070	0.3
76.81178	0.3
79.05512	0.4
81.03413	0.7
81.07056	1.2
83.08620	1.2
85.10193	0.8
86.09711	48.5
91.05460	1.2
93.07046	1.5
94.06559	0.6
95.07368	0.7
95.08604	1.4
96.08150	1.6
96.08722	0.3
97.06533	0.4
98.98483	4.2
101.77913	0.4
104.10751	100.0
105.07032	0.4
105.11080	0.5
107.08573	0.4
108.08118	2.0
109.10148	1.0
110.09699	3.3
118.06516	0.3
119.08546	0.4
120.08112	1.7
120.08858	0.3
125.00009	28.0
135.11758	0.5
136.07541	0.6
138.09143	2.8
148.07590	0.4
151.68556	0.3
163.01566	0.8
166.08661	6.7
167.08820	0.3
181.02658	0.4
184.07352	94.8
193.12227	0.5
203.06976	0.4
213.21333	0.3
223.08913	0.3
225.10283	0.3
227.08197	0.6
237.10164	1.0
239.08089	0.4
241.09819	0.5
251.08125	0.4
253.09659	1.6
258.10989	1.3
263.06958	0.4
265.09708	2.1
267.11273	0.6
281.09229	1.1
283.10699	0.9
293.09274	1.5
295.10782	1.7
299.10242	0.5
311.10291	1.0
313.27252	0.5
314.27676	0.6
321.08755	0.5
327.09750	1.1
339.09793	2.2
341.11169	0.4
341.30380	1.5
359.12326	2.6
371.12402	1.5
418.17368	0.4
446.17233	1.2
464.18320	3.0
474.16473	0.7
492.17621	2.1
506.19125	0.4
506.36057	8.8
524.37164	27.3
525.37457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	21.9
57.03432	19.0
57.07079	54.2
60.08156	13.7
63.74205	5.5
64.61711	5.8
67.05508	51.0
69.03461	6.3
69.07079	29.9
71.07358	8.0
71.08641	31.7
74.59000	5.3
76.08385	6.7
79.05495	27.2
81.02979	7.9
81.03424	100.0
81.07059	47.6
83.04993	11.7
83.08624	34.4
85.10197	14.2
86.09706	49.7
91.05499	62.9
93.07044	29.8
95.04979	34.3
95.08627	49.6
97.10187	10.5
98.98459	8.8
104.10751	80.0
105.07013	44.5
107.04948	10.0
107.08586	26.9
109.10166	37.0
111.08080	13.3
117.07037	7.1
119.08586	28.8
121.10165	14.1
123.11720	8.8
124.99995	25.5
129.07010	12.8
131.08591	23.3
133.10130	21.6
135.04401	5.3
135.11713	8.3
137.09656	7.7
143.08551	6.7
145.10150	7.6
147.11685	18.4
149.02380	7.1
151.03812	6.4
157.10138	15.8
159.11714	8.2
164.54005	5.6
168.88507	6.2
169.10130	8.3
184.07355	82.3
193.12270	70.8
203.07054	22.3
211.13298	9.9
239.23814	6.8
249.14909	6.7
267.10205	9.1
267.15909	86.2
313.27356	86.0
385.17944	6.4
505.38852	47.4
523.30804	8.0
523.39612	19.6
524.36566	21.8
541.87744	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	524.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
54.01610	0.9
55.05511	2.3
57.03433	1.0
61.02930	1.3
65.03939	4.1
67.05501	4.0
69.03442	4.9
69.07068	2.1
71.57635	1.3
79.05496	3.4
81.03402	4.7
81.07069	7.9
82.07407	1.2
83.08604	2.0
85.02914	7.9
87.00834	1.8
87.04441	1.0
89.03851	1.0
91.05488	100.0
92.05824	1.5
93.07043	3.3
95.04982	2.9
95.08612	6.8
97.02903	5.2
99.04466	1.8
105.01920	1.6
105.07026	2.0
107.08595	2.3
109.02892	5.9
109.10173	3.7
110.10482	1.0
117.06976	1.2
119.08587	4.2
120.08073	1.1
121.10180	1.3
123.11745	1.2
127.03941	7.9
129.07086	0.9
131.08603	1.5
133.10115	2.0
135.11702	1.3
136.01636	1.6
138.09070	1.2
143.08548	1.6
145.04974	2.9
145.10078	1.8
147.11731	1.2
151.03922	22.1
158.10353	1.1
159.02927	1.3
166.08583	1.7
169.04945	2.6
190.87039	0.9
196.65471	1.1
202.65434	1.0
213.04013	2.4
231.05023	2.3
241.08662	4.3
259.09683	3.6
309.14703	1.3
309.65918	1.1
314.07227	1.3
335.68823	1.1
402.30945	1.3
423.88461	1.1
531.68750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01868	0.8
67.05513	1.7
69.07080	0.8
69.30054	0.6
70.06626	0.8
73.52615	0.6
78.17085	0.7
78.90128	0.6
79.05487	2.7
80.05010	2.2
81.05780	1.1
81.07034	1.7
82.06567	4.0
91.05476	4.7
92.05019	1.0
93.05750	1.2
93.07058	9.9
94.06578	12.0
95.04966	1.3
95.07352	12.8
95.08598	1.3
96.08134	26.2
97.02905	1.7
97.06538	2.0
97.08495	0.7
99.17802	0.8
103.05446	1.9
108.08127	22.0
109.08912	1.2
110.09687	48.8
113.57018	0.6
120.08115	32.6
121.06532	1.3
122.06065	1.2
122.09636	0.9
123.06811	1.9
124.07613	2.3
126.04242	0.7
127.03925	3.2
135.06822	0.8
136.07584	14.6
138.05582	1.0
138.09146	48.7
146.06041	1.7
148.07587	10.5
150.09151	1.3
154.08575	0.7
157.19679	0.7
164.07149	0.9
166.08649	100.0
167.09039	1.1
172.03911	0.8
174.05554	0.7
190.04872	0.9
199.08687	1.1
204.06534	1.3
206.08374	0.8
207.09210	0.8
209.10753	2.0
210.07794	0.9
211.08578	3.7
211.12268	1.0
212.09370	1.0
213.10326	2.0
219.09195	0.9
222.07837	1.4
223.08664	4.4
224.09441	1.4
225.10278	5.8
225.56003	0.7
227.08090	3.7
227.11768	0.9
235.08543	1.6
236.09492	1.5
237.10234	17.1
238.07359	1.5
238.10982	2.6
239.08130	8.0
239.11774	3.3
241.09769	6.8
243.11180	1.3
247.08530	1.6
248.09383	1.1
249.10197	1.5
250.08809	0.7
251.08182	5.8
252.08925	1.2
253.09735	16.6
255.11356	4.0
265.09726	33.9
266.07458	1.3
266.10562	3.2
267.08051	5.7
267.11227	10.1
269.09137	3.8
271.10901	0.8
277.09677	1.6
279.07742	1.9
280.08557	0.8
281.09241	19.9
283.10721	14.1
285.12607	0.9
287.10275	4.2
293.05887	1.3
293.09225	24.5
294.09906	1.9
295.10791	22.1
297.08896	1.4
298.09470	1.3
299.10306	6.0
301.11871	1.6
309.08685	4.1
311.10284	18.7
313.11960	2.1
315.13562	1.9
321.08707	11.4
325.11826	3.1
327.09808	22.6
327.13562	1.7
330.12332	1.3
331.13177	1.4
339.09772	32.4
340.09885	1.1
341.11316	5.2
342.12201	1.3
343.12997	1.0
344.14008	2.4
345.14673	0.8
345.18549	0.8
346.06705	0.9
353.11331	4.9
358.15445	1.2
359.12396	37.5
360.12769	1.2
361.09088	1.1
362.09555	3.6
371.12390	23.3
371.16956	1.4
372.13254	2.2
388.16626	3.3
390.18036	1.0
400.16724	1.0
418.17780	3.9
428.16330	1.0
434.16757	0.9
436.18457	3.3
446.17169	16.6
448.18762	3.1
464.18216	38.8
474.16528	8.1
478.19745	2.9
492.17700	39.9
496.20914	1.1
506.19208	7.0
524.20380	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	523.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20197	0.9
52.06955	0.9
53.03946	2.9
55.01880	1.5
55.05516	19.2
56.32970	0.8
57.03444	9.3
57.07079	44.2
61.66451	0.8
65.03949	1.5
67.05507	34.3
69.03432	2.9
69.07073	16.1
69.07441	1.0
69.60869	5.7
71.01400	1.0
71.05007	5.0
71.08636	30.6
79.05500	18.1
81.03423	48.9
81.07062	41.8
83.04990	7.2
83.08626	31.7
85.02909	24.3
85.06535	1.8
85.10183	14.0
91.05058	0.5
91.05486	23.7
93.07047	14.1
95.04977	15.3
95.08609	35.0
97.02907	2.5
97.06537	2.0
97.10170	8.4
99.08104	0.8
99.11729	1.2
105.07043	19.9
107.04956	4.3
107.08612	6.5
109.06525	3.6
109.10160	16.8
111.04460	2.7
111.08082	7.4
111.11749	0.9
113.06026	2.4
115.05473	1.3
117.07036	1.4
119.08584	16.5
121.10130	6.7
123.08066	2.2
123.11713	7.1
125.13273	1.5
128.06264	1.3
129.06993	9.3
131.08574	8.7
133.06544	2.0
133.10149	6.8
135.11748	1.5
137.09663	1.5
137.13281	2.4
142.07794	2.1
145.10158	2.2
147.08116	2.7
147.11700	11.5
149.09647	5.7
151.14767	1.1
157.10124	9.9
165.12767	2.5
175.11206	12.0
193.12250	51.0
203.07004	1.2
211.13304	55.6
221.22610	1.2
239.23744	8.5
249.14941	0.9
267.10269	3.1
267.15887	7.1
313.27429	5.9
383.16605	1.1
505.39087	1.8
523.39984	100.0
524.40240	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.4
55.01865	7.3
55.05509	15.2
57.03426	23.5
57.07077	45.7
63.63622	4.9
67.05508	34.8
69.07069	15.5
71.08620	34.1
71.58798	5.8
75.22340	5.6
79.05483	24.6
81.03419	100.0
81.07054	44.7
83.04978	7.3
83.08623	36.7
85.02932	5.4
85.10184	15.1
86.09700	4.7
91.05491	40.5
93.07050	17.5
95.04977	30.6
95.08608	45.8
97.02879	4.1
97.10210	5.0
104.10760	16.7
105.07030	30.6
107.08621	17.6
107.45000	4.4
109.06519	7.0
109.10172	24.2
111.08053	6.9
111.21092	3.8
115.01608	3.9
117.07021	5.9
119.08597	26.8
121.06582	4.7
121.10128	14.2
121.96722	4.5
123.08044	5.6
123.11674	9.4
124.99973	5.4
129.07008	9.4
131.08585	10.7
133.10120	12.5
135.11702	6.5
142.07787	6.3
145.10147	11.0
147.11682	16.4
149.09601	9.4
151.11148	5.8
157.10129	17.3
171.11707	4.8
175.11276	11.5
184.07277	10.3
193.12239	60.5
203.07040	19.2
207.18011	4.2
211.13191	6.4
251.07153	19.8
267.10056	6.1
267.15924	84.9
313.27390	90.1
378.50800	4.5
403.49081	5.0
436.55182	5.1
492.38910	4.7
505.26541	4.9
505.38901	49.6
523.28265	5.4
523.39581	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	523.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.05508	13.7
57.03437	16.9
57.07084	54.0
67.05519	25.0
69.07070	12.3
69.20765	35.4
71.04988	4.2
71.08643	39.5
79.05481	14.1
81.03426	100.0
81.07056	38.7
83.04987	7.3
83.08622	35.5
85.02889	9.8
85.10194	19.8
91.05497	16.4
93.07034	12.9
95.04978	29.5
95.08614	32.5
97.10166	9.0
97.17507	2.9
105.07035	19.5
106.88299	2.8
107.04945	5.8
107.08562	6.7
109.10168	14.9
111.08089	11.7
119.08586	20.3
121.10148	6.1
123.11713	6.6
129.07071	7.6
131.08556	11.1
133.10110	7.4
136.45827	2.8
137.13312	4.5
139.67303	2.7
145.10228	4.3
147.08029	3.9
147.11682	10.5
149.09616	7.4
154.23262	3.5
157.10133	13.9
160.63510	3.6
175.11186	13.0
187.36591	3.5
193.12263	56.9
202.98042	2.9
211.13255	23.8
239.23735	7.4
249.14758	3.7
257.24655	3.7
267.15955	92.4
313.27390	83.3
505.39041	49.3
523.40021	37.7
530.28583	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	523.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01865	2.8
55.05296	1.3
55.05512	13.3
57.03431	2.8
57.07076	12.0
59.04996	3.0
59.59654	1.2
61.02921	2.5
65.03941	1.2
67.05167	1.8
67.05507	34.1
69.03429	8.4
69.07067	31.2
69.34999	4.5
69.35430	5.1
71.04984	3.6
71.08627	1.9
72.08157	1.6
79.05492	25.4
81.03411	2.0
81.07058	82.9
83.04962	4.2
83.08612	8.7
85.02908	14.0
85.06544	100.0
86.06867	1.6
86.09714	1.5
91.05479	12.4
93.07046	50.1
94.07341	1.4
95.04963	2.8
95.08608	64.7
97.02891	4.2
97.06533	8.7
97.10181	5.9
99.04469	2.0
99.08087	14.7
101.06108	1.1
105.07032	20.8
107.04963	1.6
107.08595	44.6
109.02875	1.3
109.06485	2.5
109.10157	50.0
110.09804	1.2
111.08083	12.7
111.11707	8.1
113.09633	5.6
115.07545	3.1
117.06992	1.6
119.07786	1.6
119.08576	20.6
120.08102	2.6
120.08881	1.8
121.09306	2.0
121.10142	29.1
123.08048	1.1
123.11713	22.9
125.09631	11.2
127.03895	3.0
127.11226	3.3
131.08559	4.2
133.10144	14.5
135.11702	30.4
137.05986	1.3
137.09625	2.7
137.13239	10.3
138.05489	2.6
138.09116	1.8
139.11177	13.2
143.08549	1.3
143.10695	5.3
145.05017	1.7
145.10144	6.2
147.11691	13.8
149.13269	21.2
151.11208	3.4
151.14810	3.9
153.12764	9.8
157.10078	1.6
157.12222	7.6
159.11688	7.0
161.13260	10.0
163.14824	12.9
165.12759	5.1
167.14301	1.9
171.13765	2.5
173.13257	3.9
175.14804	9.9
177.16368	6.7
179.14362	3.1
179.17853	1.9
181.15805	1.4
183.13799	2.5
187.14818	3.1
189.16341	5.7
191.17938	6.6
193.15797	6.7
201.16364	3.0
203.17926	5.4
205.19543	2.7
207.17516	2.0
211.15077	1.9
211.16934	20.0
215.17921	5.0
217.19604	1.3
219.17429	2.5
221.18880	1.2
223.09421	1.2
225.18542	1.2
229.17955	13.6
231.21046	2.8
233.18851	1.4
235.47679	1.2
259.24127	3.1
271.24185	5.5
277.25290	8.5
289.25259	18.6
295.26324	18.7
307.26349	27.8
308.26495	1.3
313.27332	15.8
325.27374	27.9
329.11319	1.7
343.28427	24.3
361.29581	2.7
399.65891	1.2
473.15338	2.0
491.16876	6.8
505.18112	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42850	8.7
55.05508	21.7
60.40931	9.8
66.75985	10.5
67.05506	31.8
69.07064	35.2
69.82734	48.7
69.88249	8.4
74.06042	9.3
79.05498	26.7
80.03117	9.2
81.07056	100.0
83.08654	11.8
85.02901	18.9
85.06540	19.6
91.05491	20.9
93.07076	44.7
95.04974	12.8
95.08621	76.2
96.08144	9.0
97.02882	10.1
97.10181	9.7
98.38125	9.7
99.08087	26.8
105.07039	31.1
107.08601	34.6
109.10157	48.9
113.09624	11.5
119.08598	35.3
120.08128	9.6
121.10173	58.3
123.11687	21.6
124.69976	9.5
128.94012	8.6
131.08595	10.4
133.10149	23.7
135.11661	25.7
139.11110	14.3
145.10086	16.2
147.11674	16.6
149.13217	19.9
151.58826	9.1
159.11636	11.5
161.13255	11.7
171.47136	9.0
175.14818	13.0
176.15211	8.6
177.16382	20.2
195.17499	15.4
213.18449	49.3
223.08542	10.9
226.92801	10.6
273.06564	17.0
289.25201	11.1
307.26248	23.3
523.21191	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60159	14.5
53.00723	14.8
55.05490	18.3
69.07070	18.7
69.74868	39.0
69.75271	58.5
69.81547	14.4
70.06608	100.0
81.07050	65.5
84.04525	22.4
84.08112	14.1
85.02882	26.7
85.06507	16.5
86.09684	23.2
86.27634	14.3
91.05481	29.7
93.07032	47.6
95.08611	44.9
97.02874	17.4
105.07016	21.2
105.68574	18.2
107.08600	45.3
109.10128	24.5
121.10144	22.2
123.11730	17.7
124.77901	20.2
133.10095	28.8
149.13240	19.9
161.05945	17.6
221.14825	16.4
229.15494	54.8
257.13052	15.9
295.52737	15.3
459.86520	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	523.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
53.87302	1.1
55.01864	4.1
55.05285	1.5
55.05521	14.6
55.74374	1.1
57.03440	2.2
57.07085	11.7
59.04992	4.1
61.02932	1.4
65.03946	2.3
66.54057	1.1
67.05164	2.1
67.05511	36.1
69.03429	9.1
69.06718	2.1
69.07076	38.5
69.35736	3.5
69.36161	7.2
70.06600	1.3
71.04984	5.9
71.08626	1.4
76.39141	1.2
76.54633	1.2
79.05500	25.1
81.03398	2.9
81.07063	91.4
83.04993	3.3
83.08627	12.0
85.02911	12.9
85.06548	100.0
86.06871	1.9
87.04469	3.1
91.05482	15.5
93.07050	45.9
95.04953	4.4
95.08614	63.7
97.02885	5.3
97.06535	9.8
97.10175	6.1
99.04440	2.2
99.08116	13.6
105.07030	21.9
107.08604	45.2
109.02883	2.2
109.06538	1.4
109.10163	50.0
110.10458	1.4
110.24077	1.5
111.08095	14.6
111.11715	8.0
113.09638	6.1
115.07558	5.6
119.08588	21.7
120.08093	5.0
121.10155	34.8
123.08073	1.7
123.11718	25.5
124.07569	1.3
124.49354	1.3
125.09662	11.5
127.03939	2.2
127.11219	3.3
129.68227	1.2
131.08562	5.4
133.10150	14.0
135.11703	31.0
136.07654	1.5
137.05954	2.9
137.09621	3.0
137.13274	10.4
138.05510	2.8
138.09142	2.3
139.11189	15.2
143.10672	5.1
145.05055	2.4
145.10106	7.3
147.11696	15.7
149.13272	28.3
151.11205	2.0
151.14822	3.7
153.12756	10.6
154.66792	1.2
155.10794	1.2
157.12195	9.2
159.11728	7.3
161.13290	9.4
163.14825	13.6
165.12779	3.9
167.14285	2.0
171.13808	3.0
173.13278	5.6
175.14865	10.6
177.16399	7.1
179.14304	3.2
181.15891	1.6
183.13849	3.7
187.14766	2.2
189.16423	7.5
191.14398	1.2
191.17996	4.6
193.15865	5.4
201.16351	2.5
203.17871	2.9
205.19504	4.0
207.17458	2.4
211.16930	17.4
215.17992	2.5
217.19508	1.5
219.10036	1.4
221.18974	1.6
223.20499	1.9
229.17964	17.2
231.21051	4.1
234.51019	1.4
237.18478	1.8
241.21678	1.6
251.20120	1.3
259.24170	3.5
268.32867	1.2
271.24237	6.7
277.25299	8.9
289.22318	2.2
289.25269	19.8
295.26343	21.6
307.26370	30.7
313.27417	24.4
325.27396	30.1
329.11166	2.5
343.28439	29.8
361.29324	3.2
473.15863	2.1
491.16788	9.7
523.19220	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.1
55.01871	7.6
55.05517	34.7
56.71664	1.9
57.03430	6.3
57.07071	10.8
59.05012	2.2
59.09137	2.3
61.02924	4.9
65.03944	3.6
67.05168	2.8
67.05511	45.6
68.99788	7.7
69.03430	54.4
69.07072	56.6
69.78139	11.3
71.01369	2.3
71.04996	7.0
71.08623	5.4
73.02927	3.5
79.05492	25.3
81.02975	3.7
81.03423	50.5
81.07063	94.8
83.04973	8.8
83.08623	21.1
84.99302	1.9
85.02910	45.3
85.06554	12.3
87.00844	16.5
87.04440	2.4
91.05486	31.5
93.07050	48.4
95.04982	15.8
95.08611	100.0
97.02898	20.8
97.06515	6.4
97.09642	2.2
97.10172	16.0
98.97563	1.9
99.04454	12.5
99.08103	6.3
101.08109	2.0
103.03959	3.3
103.05502	2.5
105.01866	5.8
105.06376	2.9
105.07036	37.9
107.04958	7.3
107.08604	38.1
109.02880	27.2
109.06530	9.5
109.09451	3.6
109.10162	52.2
111.04452	15.5
111.08073	6.8
111.11715	7.5
115.03954	5.9
115.05478	3.3
117.01851	2.2
117.07018	9.1
119.04951	4.0
119.08591	35.1
121.06512	11.1
121.10138	23.8
123.04418	5.0
123.08090	4.7
123.11724	24.3
125.06017	3.2
125.09643	2.8
125.13220	2.2
127.03917	46.8
128.06203	3.3
129.01863	3.4
129.06987	8.4
131.08582	19.0
133.06523	5.0
133.10141	28.2
135.04436	3.2
135.08060	9.1
135.11693	22.1
137.05977	6.0
137.13254	8.3
139.07504	3.4
141.06998	3.7
142.07784	4.5
143.08522	13.1
145.04915	4.7
145.06497	2.8
145.10139	20.5
147.08061	7.7
147.11705	16.9
149.09616	8.1
149.13272	25.0
151.07516	3.3
151.14783	5.1
153.07034	2.2
155.08513	7.3
156.09380	3.1
157.10158	14.3
159.02892	4.3
159.08049	5.5
159.11702	22.6
161.09631	9.1
161.13242	17.0
163.07642	2.5
163.11234	5.3
163.14886	12.5
165.09122	3.1
165.12740	1.9
167.08598	2.1
169.10086	6.6
171.08055	3.6
171.11673	8.8
173.09660	4.9
173.13268	11.2
175.11235	4.7
175.14827	6.8
177.09183	3.6
177.12653	3.8
177.16336	4.4
181.28558	2.0
183.11699	5.9
185.09685	5.6
185.13306	9.5
187.11192	4.0
187.14816	5.1
189.09094	5.9
189.12747	2.4
189.16388	4.4
191.10591	2.6
195.11780	3.9
197.13306	4.7
199.11148	3.9
199.14822	5.4
201.04056	3.3
201.12804	4.0
203.10622	3.3
203.14299	3.0
203.18033	2.6
207.46263	2.2
211.14754	3.3
213.03923	6.6
213.16443	2.4
215.14400	3.7
217.12227	2.1
226.29826	2.2
227.14441	3.3
227.17865	2.1
229.15857	3.3
231.05020	8.2
231.13870	2.2
239.14348	2.5
241.15933	3.5
257.19077	2.8
275.27426	2.3
283.24210	2.8
285.03970	8.8
285.07501	5.8
291.26807	6.7
300.06284	2.6
303.26855	8.3
313.03629	5.0
313.07013	5.4
315.26920	4.3
321.27966	3.3
333.27939	7.2
347.29428	3.7
359.29498	4.7
365.28348	3.8
371.29160	2.2
377.30417	3.5
383.29373	27.8
394.14001	2.1
401.30518	33.1
419.31570	14.5
469.29642	3.1
487.30557	12.0
505.15262	3.0
505.31711	22.4
523.12000	2.4
523.32861	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	523.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52304	0.7
53.03894	1.1
55.77566	0.7
69.03394	1.2
71.55878	0.7
79.05453	1.2
91.05421	2.7
92.14186	0.6
93.01881	0.7
93.07001	1.5
95.04942	1.2
95.08566	1.1
102.04679	1.0
103.05460	4.0
105.06979	2.0
107.01299	0.8
107.04942	1.3
108.02100	0.9
109.02832	1.0
115.05429	2.3
118.04136	1.7
119.04892	1.6
119.08545	0.9
121.06526	3.9
121.10158	0.7
125.02330	1.1
128.06189	1.2
129.06992	0.9
130.04137	1.5
131.04968	3.8
132.05667	3.1
133.06458	3.1
135.04353	2.4
137.05923	0.9
141.06976	0.9
143.04868	1.8
145.06453	1.7
147.04393	1.2
147.08020	1.0
148.05186	2.3
149.05919	2.8
153.01820	11.0
153.05307	0.8
155.04845	1.3
158.07281	7.7
159.04379	1.3
160.05235	0.9
161.05992	4.3
163.03894	0.7
167.06970	1.2
168.05618	2.4
169.06419	2.3
170.07253	1.3
171.02823	2.2
171.04410	1.2
171.08018	0.8
175.03816	1.0
176.04666	2.0
177.05428	3.0
183.04373	2.8
183.08015	1.5
184.05174	0.9
185.05952	1.6
186.06783	7.9
191.07097	4.3
192.07816	1.2
193.08580	1.3
196.05127	2.1
197.05951	1.5
198.01651	0.9
198.06741	0.9
199.03984	1.4
199.07451	1.3
201.05443	1.5
201.09129	9.9
202.06169	0.9
211.07477	1.6
213.05449	1.7
213.09048	0.9
214.06274	17.8
225.05504	3.4
227.06979	1.9
229.08594	2.7
239.03392	0.8
239.06906	1.2
240.07718	2.1
241.04965	1.1
242.05728	6.4
253.04903	1.1
255.06517	1.3
257.08102	13.8
259.09647	2.0
267.06488	1.0
268.07330	3.2
269.04590	0.8
269.07993	1.7
270.05249	4.7
272.06903	1.0
283.05981	0.9
284.06689	0.9
285.07587	95.8
296.06802	2.1
297.07547	4.1
299.09204	1.4
300.06256	3.3
311.09097	1.7
313.07068	100.0
314.07831	3.5
315.08640	19.4
379.48285	0.9
423.14487	1.3
493.14957	8.3
505.14957	55.7
506.15256	1.8
520.04755	0.7
523.16064	63.8
524.16620	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	523.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01855	0.5
56.40160	0.3
65.03930	0.6
67.01871	0.4
69.03394	0.9
69.20500	1.5
69.20933	2.2
71.55324	0.3
79.05472	0.7
91.05470	2.3
93.07027	0.6
95.04939	0.5
97.02882	0.4
102.04699	0.4
103.05457	3.2
104.06216	0.4
105.07049	1.7
107.01305	0.5
107.04928	1.1
108.02035	0.5
109.02871	0.5
115.05450	2.0
117.03297	0.4
118.04160	2.4
119.04926	0.9
121.06516	3.2
123.04420	0.6
125.02302	0.9
128.06195	1.0
129.06958	0.3
130.04099	1.0
131.04927	3.8
132.05733	3.5
133.02750	0.5
133.06485	3.6
135.04422	2.7
140.04677	0.5
141.06917	0.5
143.04933	1.7
145.06454	1.4
146.03607	0.3
147.04385	1.2
147.07919	0.4
148.05203	1.0
149.05945	1.8
151.03969	0.7
153.01825	8.6
153.05360	0.4
155.03505	0.5
155.04909	1.1
157.06441	0.5
158.07277	7.1
159.04379	0.6
160.05153	0.7
161.05980	3.5
163.03841	0.4
163.07564	0.5
167.07034	1.8
168.05667	1.8
169.06480	2.8
170.07198	0.5
171.02901	1.1
171.04340	0.7
171.08047	1.2
173.05981	0.7
174.92554	0.3
176.04692	1.9
177.05426	1.9
178.06197	0.6
179.07011	0.6
180.00487	0.6
180.07875	0.6
182.02142	0.5
183.04396	2.7
183.08067	0.9
184.05154	0.8
185.05965	1.0
186.06760	8.6
191.07037	2.7
191.33121	0.4
192.07779	1.6
193.08565	1.8
196.05199	2.2
197.05948	2.0
198.01643	0.5
198.06757	1.2
199.03876	1.3
199.07489	1.1
201.05432	0.6
201.09103	9.8
211.07529	0.8
213.05415	1.4
213.09073	0.7
214.06242	17.2
225.05446	3.6
226.06261	0.6
227.03447	0.5
227.06950	1.9
229.05095	0.6
229.08624	2.7
239.03378	0.4
239.07050	0.8
240.07784	1.4
241.04955	0.5
242.05746	5.8
254.05946	0.4
255.02750	0.4
255.06477	1.0
256.07227	0.6
257.08087	13.8
259.09586	1.4
267.06516	0.4
268.07281	3.2
269.04559	0.7
269.08054	1.6
270.05188	4.7
271.05954	0.5
283.05945	0.6
284.06821	0.5
285.07584	88.3
286.07968	1.5
296.06665	2.1
297.04236	0.7
297.07611	2.9
299.09055	1.1
300.06253	3.5
307.98529	0.4
311.09073	1.2
313.07059	100.0
314.07697	2.6
315.08630	16.7
325.07343	0.4
369.09921	0.5
473.12393	0.5
493.14929	6.2
505.14966	41.1
506.15259	1.3
523.16022	65.4
524.16254	1.5
530.90845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
54.81507	0.3
55.01846	1.1
55.05492	0.7
57.03413	0.9
61.02905	1.1
66.46299	0.3
67.05486	0.7
68.99765	0.9
69.03434	6.0
69.07054	0.5
70.81406	0.9
71.01339	0.3
71.04980	0.9
73.01131	0.3
73.02893	1.1
79.05495	0.4
81.03423	6.6
81.07049	0.6
83.04940	0.4
83.08596	0.5
85.02905	6.1
85.06539	0.7
85.07039	0.3
87.00835	3.3
91.03912	0.4
91.05466	0.7
93.07022	0.8
94.54963	0.3
95.04918	0.6
95.08573	1.0
97.02908	3.0
99.04453	1.9
103.05466	0.3
105.01835	1.6
105.06978	1.0
107.04942	0.5
107.08569	0.8
109.02896	4.5
109.06438	0.5
109.10134	0.7
117.01858	0.9
117.07009	0.7
119.08542	0.6
121.10104	0.8
125.09600	0.4
127.03910	5.5
129.01791	0.6
131.04884	1.5
133.10112	0.5
133.97433	0.3
135.11723	0.4
137.06010	0.4
145.04948	1.1
145.10141	0.5
147.11674	0.6
149.02322	0.6
149.09576	0.5
155.08580	1.8
157.10135	0.5
158.07283	1.0
159.02890	2.6
159.04300	0.6
159.08037	1.4
161.57251	0.3
171.04483	0.5
173.09641	0.5
173.13257	0.8
175.03967	2.2
183.08044	1.4
185.05949	0.5
187.07541	0.4
197.08215	0.5
201.09091	1.4
201.12801	0.8
211.07556	20.1
213.05519	0.6
214.06216	2.0
215.14320	0.6
229.08606	29.2
230.08881	0.4
231.05035	1.2
239.07043	11.6
242.05804	4.1
257.08102	83.9
258.08524	1.7
275.09152	100.0
275.19992	2.3
276.09491	2.1
400.58591	0.3
505.14804	0.4
523.13055	1.1
523.21088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
58.89101	0.6
67.05486	1.5
69.03419	1.0
69.89177	0.9
69.89580	1.8
71.36755	0.5
78.03996	0.6
78.53307	0.5
79.05472	1.2
81.07030	2.0
82.83974	0.5
84.08117	0.5
85.02885	0.9
89.03906	2.3
91.05460	2.3
93.07047	1.3
95.01329	0.7
95.04935	1.9
95.08580	1.0
98.20777	0.7
105.07026	1.0
107.04953	2.8
107.08591	0.9
109.02870	0.7
109.10140	1.0
117.03374	4.7
119.04919	0.6
119.08595	0.8
121.06499	1.3
123.00764	1.8
123.04416	1.3
127.03955	0.8
133.02859	0.8
134.03658	5.8
135.04369	1.0
137.02356	3.3
141.06992	0.6
144.05695	1.3
145.02850	2.5
145.10205	0.6
148.05156	1.1
149.02364	0.6
149.06006	1.2
151.03885	2.2
152.01054	1.1
153.01793	1.0
154.08612	0.6
155.04938	6.8
155.06061	0.8
155.48280	0.5
157.06517	0.7
165.04315	0.7
165.05504	7.0
166.06302	0.6
167.05132	0.7
167.06973	1.8
171.04398	1.0
172.05153	1.9
175.03952	0.9
177.05464	1.2
179.03503	1.0
179.07108	1.1
180.07845	1.3
183.04430	6.3
184.05199	0.7
185.06065	0.8
185.53366	0.5
187.07582	2.8
193.05011	2.8
196.05142	0.9
197.05939	1.8
200.04716	2.6
207.02879	1.9
207.06494	1.2
211.03928	4.6
212.04697	1.3
213.05511	2.7
214.06230	1.5
223.03815	0.8
225.05505	5.3
228.04198	3.1
229.08720	0.7
239.03377	5.8
240.04189	1.3
241.05006	2.1
242.05608	0.7
245.08102	1.1
251.03345	1.1
253.04979	4.3
255.02791	0.8
256.03702	11.7
256.07291	4.6
257.04272	0.6
268.03827	0.6
269.04541	2.5
270.05252	8.3
271.06024	100.0
272.06314	1.2
284.06674	2.6
285.04483	1.2
285.07581	37.5
286.04788	2.7
299.05530	44.2
300.06244	4.9
301.07037	10.3
311.05463	3.1
329.06683	0.8
341.14395	0.7
419.07486	0.7
479.13428	38.8
480.13864	1.0
489.08221	0.8
505.11282	9.7
523.12402	78.3
524.12714	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	522.3562
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05523	2.0
55.14133	0.5
56.05027	1.2
57.03441	0.9
57.07082	0.5
58.06610	1.5
60.08168	17.9
66.47977	0.4
67.05524	1.9
69.07081	3.1
70.22939	1.6
71.07030	0.6
71.07387	6.8
71.08651	0.4
79.05495	1.5
81.07056	1.8
83.08614	1.4
86.09713	52.5
91.05501	0.8
93.07060	3.1
95.08608	1.2
97.10174	0.7
98.20884	0.6
98.98480	3.7
104.10753	100.0
105.07009	0.6
107.08606	2.1
109.10142	1.1
118.18544	0.4
119.08590	0.7
121.10171	0.5
125.00013	29.3
125.71532	0.4
133.10149	0.5
135.11685	2.6
135.37805	0.4
136.12064	0.6
143.01122	0.4
163.01590	0.9
182.02856	0.4
184.07356	94.8
203.07082	1.3
204.07533	0.6
258.11145	1.1
339.29013	1.1
504.34589	8.6
522.35645	28.1
523.35974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
60.08168	5.7
67.05488	0.4
69.07056	1.0
70.06609	0.3
71.07378	3.0
71.38239	0.3
71.38636	0.3
79.05420	0.4
81.07050	1.2
83.08620	0.5
86.09713	31.6
91.05482	0.8
93.07051	1.6
94.07378	0.4
94.79079	0.3
95.08572	1.0
98.98481	3.3
104.10752	2.8
105.07032	0.6
107.08601	0.8
109.10159	0.5
119.08604	0.4
125.00018	24.6
127.03896	0.4
133.10141	0.4
135.11679	0.4
184.07355	100.0
185.07666	0.5
203.06987	0.5
244.10629	0.4
310.15408	0.4
383.66721	0.4
504.34329	1.2
517.35974	0.4
522.35431	2.3
531.92572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
53.80156	6.3
55.05493	15.6
57.07053	6.9
67.05492	19.1
69.03418	15.5
69.07070	23.2
70.06586	5.9
71.04958	8.5
71.57605	9.8
79.05484	23.4
80.04881	4.9
81.07062	35.5
82.63031	6.7
84.08121	7.1
85.02901	21.8
85.06532	24.8
86.06072	7.7
91.05465	20.4
93.07040	32.0
95.04967	14.1
95.08612	48.7
97.02871	11.6
99.08112	11.5
102.05545	8.4
105.07036	77.6
107.08591	43.1
109.06495	11.9
109.10159	36.5
111.08060	7.4
115.03898	8.6
116.10732	15.3
117.07014	6.3
119.08587	72.4
121.10127	17.1
123.11645	10.4
127.11166	7.6
127.46019	6.0
131.08553	12.0
133.05003	8.1
133.10159	75.9
134.06006	13.3
135.08037	9.0
135.11700	41.3
135.23796	5.5
137.09615	7.1
139.11232	6.6
147.11707	11.7
149.13292	9.1
159.11665	8.6
163.14774	5.8
164.07039	10.1
171.13831	7.8
173.13252	8.5
175.14841	100.0
177.05486	8.5
193.12302	6.7
193.15900	12.4
244.35211	6.0
289.18066	6.0
297.70688	6.5
348.63370	6.3
360.23935	8.8
382.26874	5.8
478.23184	8.1
522.22583	9.9
522.29315	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	522.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93183	0.3
56.96572	0.4
65.03941	0.9
69.03421	0.7
70.06591	0.7
71.18165	0.4
71.18503	0.5
72.08155	1.1
75.53291	0.3
76.66672	0.4
81.03435	0.5
81.07070	0.4
85.02909	1.4
86.09702	0.4
91.05488	6.9
97.02900	0.8
98.97591	0.9
99.88115	0.3
103.05474	1.0
106.95981	0.4
109.06541	0.3
119.04955	19.3
124.07631	0.8
127.03937	0.7
131.04938	2.3
137.06009	0.5
141.16600	0.3
142.08662	0.3
147.04420	100.0
148.04794	1.3
163.03914	0.5
163.07564	1.2
188.10573	0.3
197.08195	0.7
198.07744	0.4
219.01932	0.3
225.82034	0.4
309.09671	0.7
325.09293	2.3
390.08542	0.6
522.21796	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	521.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01871	2.2
55.05520	16.6
57.03427	9.3
57.07074	12.0
59.05001	4.3
61.02921	3.3
65.03932	2.4
67.05503	38.0
69.03432	14.4
69.07072	61.0
70.32187	4.5
71.04990	5.2
73.02916	3.9
73.78033	1.9
79.05499	27.4
81.03424	3.5
81.07058	86.9
83.04995	6.7
83.08617	9.2
85.02908	21.5
85.06548	100.0
87.04468	3.0
91.05476	28.1
93.07046	51.8
94.67183	2.3
95.04967	12.0
95.08042	3.9
95.08611	52.7
97.02898	10.3
97.06538	9.4
97.10181	5.0
99.04458	5.1
99.08096	44.7
101.06049	2.6
105.07033	46.6
105.18202	2.1
106.07349	2.8
107.08597	43.4
109.02858	3.5
109.06530	6.2
109.10168	41.7
111.08077	7.9
111.11716	13.4
113.09628	6.8
117.05477	6.6
117.07014	9.6
119.08588	44.9
121.06529	2.0
121.10149	46.3
123.08062	2.0
123.11716	16.7
125.09644	11.1
127.03933	5.2
127.11198	2.9
131.08563	18.6
133.10135	60.0
135.08067	2.7
135.11679	19.4
137.05959	3.5
137.09596	7.1
139.11182	15.2
142.07840	3.1
143.08559	7.2
145.04953	4.4
145.10141	17.9
147.11673	19.6
149.13269	18.7
151.11163	6.4
153.12732	5.1
155.10655	5.4
157.10121	6.0
157.12282	7.1
159.06601	2.1
159.11754	18.5
161.13295	14.3
161.45137	2.1
163.11253	3.0
163.14809	6.2
165.12729	4.7
165.16402	3.2
167.14374	2.2
171.11720	5.7
171.13788	9.1
173.13290	21.6
174.13596	13.8
175.11153	4.1
175.14836	9.5
177.12753	6.9
177.16371	5.0
183.13777	3.4
185.13260	7.4
187.14844	4.9
189.16431	6.6
191.14313	9.4
192.14725	5.3
193.15877	4.5
195.13808	22.8
199.14821	2.6
203.17941	3.3
207.17482	3.8
209.15436	4.5
211.16930	23.2
213.16397	6.0
215.17943	2.4
227.16322	3.5
229.19794	2.7
254.70047	2.1
269.22754	5.8
275.23682	13.0
287.23779	16.2
293.24783	7.7
305.24759	24.0
323.25809	26.7
328.95081	2.4
341.13782	2.5
341.26929	22.2
359.15891	2.6
359.27988	17.8
370.85345	2.4
376.18896	2.5
477.22961	8.0
521.21436	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	521.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05500	1.0
57.03429	0.5
59.05001	1.4
67.05492	0.4
69.03419	1.3
71.07035	0.8
81.07058	0.7
83.04993	2.0
85.02912	2.0
86.09702	0.4
87.04477	0.5
87.30367	0.3
91.05473	0.5
93.07070	0.6
95.04983	0.7
95.08632	0.7
97.02902	16.9
99.04450	0.3
103.05483	1.8
105.07046	2.0
109.02897	1.0
109.06535	0.5
115.03934	1.3
121.10169	0.3
123.08051	1.1
126.27769	0.3
127.03929	100.0
128.04260	0.4
131.04942	2.3
133.05017	0.4
133.06505	0.8
137.06012	0.5
151.07544	1.7
161.06015	0.6
163.07559	0.7
175.06064	1.0
179.07063	2.6
194.11687	0.4
197.08098	1.3
209.15474	0.6
215.09224	0.7
233.10187	0.5
257.67871	0.4
273.12482	0.5
289.09180	2.7
401.97656	0.4
521.17407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2596
Annotation	Premnaionoside
Peak:m/z	Relative Intensity
57.03422	6.0
59.40800	3.1
66.23097	3.3
67.05499	3.4
69.03431	21.1
69.07072	3.0
70.44965	2.7
70.60860	4.4
70.61198	3.6
71.04993	8.6
73.02908	3.1
81.07069	5.5
83.08616	3.5
85.02904	16.3
85.06562	6.2
85.71762	2.7
87.04471	10.0
93.07035	8.6
95.04977	68.9
95.08612	6.4
95.83194	2.7
96.42731	2.5
97.02888	18.0
97.06538	6.5
99.04459	22.3
99.08092	9.1
105.07028	5.1
107.08616	13.9
109.06535	3.0
109.10160	25.1
115.03941	16.8
115.07581	8.4
119.08578	6.2
121.10188	7.6
123.11720	9.3
125.09640	2.6
127.07524	4.3
131.08572	8.7
133.04971	15.5
133.10144	58.0
134.10487	3.1
139.11165	5.1
149.13321	3.0
151.11183	11.4
153.09102	32.5
163.14896	3.4
169.12282	8.5
173.13223	17.7
177.43427	2.8
191.14299	40.9
209.15382	100.0
209.17374	5.7
227.16457	25.8
374.63382	2.7
521.20728	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	521.3116
Annotation	Soraphen beta
Peak:m/z	Relative Intensity
53.03940	14.9
55.01865	9.1
55.05513	31.1
57.03432	5.3
57.07082	16.1
61.02914	3.7
65.03940	3.7
67.05177	4.0
67.05508	46.9
68.99789	10.2
69.03434	67.6
69.07076	51.0
69.50970	12.5
69.51405	10.5
71.01368	4.0
71.05001	6.9
71.08620	9.3
79.05502	38.0
81.03417	61.4
81.07060	100.0
83.04977	13.8
83.08627	21.7
85.02903	34.7
85.06549	9.5
87.00829	12.2
91.05479	31.8
93.07047	66.7
95.04984	20.7
95.08612	91.5
97.02911	22.8
97.06547	5.5
97.10168	9.9
98.20777	5.5
99.04467	17.9
105.01859	3.9
105.07032	55.8
107.04958	10.1
107.08599	47.0
109.02880	57.0
109.06521	10.5
109.10168	49.5
111.04455	26.7
111.11715	7.7
115.03966	3.9
117.07021	11.9
119.08593	44.0
121.06483	8.2
121.10154	40.3
123.04446	5.2
123.08101	8.3
123.11720	21.8
127.03922	50.6
128.06245	6.0
129.06992	9.1
131.08585	21.2
133.06516	4.8
133.10155	28.3
135.08075	9.4
135.11719	27.5
137.05997	10.1
137.09637	8.8
137.13319	7.7
141.07051	6.3
143.08582	19.5
145.06525	6.5
145.10144	30.7
147.08080	7.2
147.11707	28.9
149.06061	3.3
149.09584	6.9
149.13269	23.8
155.08595	9.1
157.10130	12.1
158.10793	3.3
159.08014	5.3
159.11702	25.8
161.09552	6.3
161.13254	14.5
163.07521	4.5
163.11142	5.1
163.14859	10.5
168.09282	3.3
169.10165	4.9
171.02859	4.0
171.08041	4.6
171.11711	13.3
173.09663	7.0
173.13278	8.5
175.07552	5.4
175.11221	7.5
175.14853	7.7
177.09149	4.0
177.16295	7.5
181.10121	3.7
183.11754	7.6
185.09590	3.8
185.13321	7.4
187.11185	4.0
187.14848	5.4
189.16403	7.0
191.17996	4.0
195.11722	4.0
197.13266	5.2
199.11160	5.4
199.14894	3.7
201.12767	5.0
203.10670	5.0
203.17972	5.2
209.13373	7.4
213.03932	27.7
215.10684	3.8
215.14340	4.2
217.19391	4.5
223.14780	3.2
247.24370	3.2
273.18475	3.6
273.25851	13.4
289.25562	3.4
291.26730	7.6
303.26688	6.9
313.25314	4.0
315.26721	3.5
327.26935	3.7
331.26273	5.2
345.28000	4.1
353.28171	4.2
355.26514	4.6
357.27872	4.5
371.29388	9.8
373.27487	3.2
381.28070	15.7
399.29019	32.8
417.29965	11.2
485.28876	5.3
503.23251	4.3
503.29730	21.8
521.10834	4.5
521.31134	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.01865	1.6
55.05508	2.0
56.96537	0.8
57.03424	1.0
61.22076	0.8
65.03954	2.1
67.05509	3.7
68.71588	0.8
68.99791	0.9
69.03430	3.5
69.07069	2.9
71.04984	1.6
79.05497	3.3
81.03426	2.6
81.07056	4.7
83.04987	1.2
83.08613	1.1
85.02932	5.9
85.06543	1.5
87.00829	2.3
91.05486	30.5
93.07050	4.3
95.04963	2.6
95.08623	2.8
97.02897	5.4
97.06540	1.9
98.97579	1.4
99.04466	2.9
99.08127	0.7
103.05476	100.0
105.01871	1.4
105.07039	5.0
107.04945	3.6
107.08607	3.2
108.02077	1.1
109.02875	3.4
109.06509	1.2
109.10151	2.9
110.03659	1.6
111.04472	0.9
115.05464	5.1
117.07027	28.3
119.08595	2.2
121.02882	2.0
121.06519	8.4
121.10153	3.2
123.04458	5.3
123.11711	1.8
125.06002	31.0
125.09611	1.1
127.03919	3.2
127.12085	0.9
129.06999	5.8
131.04939	54.4
131.08575	6.3
132.05254	0.8
133.10129	3.0
135.04437	3.0
135.11671	1.2
136.29805	0.8
137.05989	6.1
137.09662	1.0
141.07007	2.4
143.08583	9.0
143.10640	1.8
145.04951	2.0
145.10085	1.3
147.11682	1.0
149.05997	8.0
151.03917	67.5
152.06296	1.1
165.07008	3.7
166.07826	3.1
167.07043	2.1
167.08580	4.3
177.05493	1.9
177.06984	2.3
178.07761	1.9
179.08549	1.6
181.10158	2.7
185.09709	1.2
190.98015	0.9
194.07338	5.8
195.08087	2.7
196.08968	1.2
199.11240	1.4
206.99052	0.8
209.09654	7.3
212.08371	4.2
215.10704	1.0
219.17580	1.1
220.17722	1.7
227.10683	59.9
237.09114	48.3
237.18533	1.1
253.81519	1.0
255.10185	76.8
256.10608	1.6
273.11237	35.3
341.14023	1.1
345.98267	0.9
347.05563	0.9
461.12436	2.3
521.19989	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	521.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
56.96544	0.7
61.48124	0.4
63.19889	0.4
67.05505	1.4
69.03428	0.9
69.07085	1.0
71.04973	0.5
71.57255	0.4
71.57698	0.5
79.05502	0.9
81.03417	1.3
81.07051	2.0
83.04951	0.4
83.08635	0.5
85.02911	0.9
85.06533	0.6
91.05479	1.3
93.07038	1.6
95.04974	0.5
95.08626	2.1
97.02885	0.4
98.97600	0.5
105.07027	0.8
107.08579	1.6
109.02885	0.5
109.10145	1.2
119.08591	1.5
121.06528	0.8
121.10152	0.7
123.11680	0.5
127.03931	0.8
131.08516	0.5
133.06534	0.6
133.10114	0.7
135.04425	1.6
135.08102	0.5
135.11658	0.5
137.05981	0.5
141.07086	0.5
143.08530	0.6
145.10120	1.2
147.11725	0.7
149.09618	0.6
151.03871	0.5
157.10069	0.5
159.11710	0.8
173.13257	0.7
199.11115	0.6
205.05115	0.4
206.05408	0.4
255.17455	0.8
289.05350	3.3
307.53940	0.4
327.10037	0.5
329.08041	0.9
332.06699	0.8
333.07584	0.4
343.09662	0.5
355.09799	0.4
356.10968	0.5
357.07657	0.5
358.08414	0.7
359.09131	0.8
371.09149	1.7
372.09967	1.6
373.07220	0.7
374.07962	2.3
375.08685	0.5
385.06970	1.0
386.07413	0.7
387.08487	1.2
399.08884	2.4
400.09512	5.9
401.10205	1.0
402.07434	6.3
403.03058	0.9
403.08069	7.5
415.08127	7.1
416.08954	1.0
417.09732	5.7
427.07867	1.9
428.08975	2.2
429.09680	1.8
431.07712	2.0
435.23074	0.7
443.07492	1.9
445.09238	35.5
446.09949	4.0
456.08743	0.8
457.09128	0.7
459.06708	0.5
461.12332	18.0
473.08688	1.1
474.09052	0.6
477.24451	1.7
489.11862	100.0
490.12247	2.7
521.23682	16.6
521.31592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
67.05486	0.4
71.56075	0.3
79.05468	0.9
81.07048	0.8
83.21357	0.3
91.05489	2.2
93.07018	0.7
95.01328	0.7
95.04912	0.4
103.05456	0.7
105.03371	0.9
105.07038	4.0
107.01285	0.5
107.04963	2.2
108.02058	1.0
109.06507	0.3
112.19939	0.3
118.04179	3.0
119.01334	0.5
119.04957	2.3
119.08534	0.4
121.06467	1.7
123.00800	3.9
123.04340	0.6
126.08977	0.3
128.06207	1.5
132.05693	0.7
133.02821	1.0
133.06500	4.1
133.10069	0.5
134.03621	1.0
135.04417	2.3
136.01532	0.7
137.02322	0.7
137.06001	3.3
141.06967	0.5
145.02834	0.4
146.03601	0.4
147.04434	2.3
149.02341	0.8
150.03152	0.4
151.03874	0.9
152.06171	0.6
153.06935	0.4
154.02591	1.0
156.05663	1.3
161.02309	0.9
161.05994	2.8
163.03841	0.7
165.01801	0.4
165.04143	0.6
165.05501	10.3
165.06876	0.8
167.03400	0.5
167.07022	0.9
168.05693	0.8
171.06639	0.7
171.08063	11.9
175.03931	2.5
177.05527	0.6
178.02541	0.5
179.03392	1.0
179.06985	0.4
181.05057	0.6
181.06496	1.8
182.05727	2.3
182.07225	0.7
183.07918	0.4
184.05249	2.4
185.06071	0.3
190.80556	0.3
192.04111	0.8
193.04973	8.2
194.05681	1.1
195.04504	0.6
195.08073	0.5
196.05197	0.4
196.85066	0.3
197.05994	1.9
197.08064	5.5
198.06746	1.0
199.07500	0.8
203.04462	0.4
203.07005	0.4
205.05013	0.3
207.02864	0.3
207.06520	8.0
209.06012	5.3
211.07538	0.4
212.04710	2.1
213.07243	0.4
213.09100	4.7
221.04501	3.6
222.05223	1.7
223.03897	0.9
225.05455	1.5
225.07602	1.7
226.06258	2.5
227.06989	0.8
229.08379	0.3
237.05481	4.9
237.07672	0.3
239.03404	0.8
239.06970	0.8
240.04132	1.2
240.07814	8.5
241.04875	0.6
241.08611	0.4
247.02299	0.3
251.06865	0.6
252.04234	0.3
253.05002	3.9
253.07303	0.6
254.05731	4.7
255.06531	97.3
256.06967	1.2
263.14481	0.3
268.07358	5.3
269.08096	67.2
270.08450	0.5
283.06027	34.9
284.06790	3.1
285.07578	2.3
295.06042	1.2
299.09198	0.5
303.10104	0.7
313.07031	1.1
319.09799	0.4
343.09464	0.5
372.10062	0.4
375.08771	0.5
387.08548	0.8
400.09732	0.6
403.08246	0.9
417.09570	0.7
418.10513	0.7
419.11700	0.3
431.07697	0.4
433.13144	0.4
439.69250	0.5
445.09540	0.4
446.10425	0.4
447.11276	0.5
461.12183	1.3
473.08780	1.5
475.13968	0.5
489.11835	13.2
521.14478	100.0
522.14783	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88235	2.8
79.05470	0.6
83.91901	0.5
89.03898	1.5
91.05472	0.9
93.91000	0.5
95.01302	0.9
102.04708	0.7
103.05442	1.8
105.07001	1.4
107.01318	0.5
115.05444	0.5
117.03384	3.9
118.04130	0.9
119.04939	1.0
123.00768	1.9
126.28988	0.5
130.04095	1.3
131.04939	4.8
133.06448	0.7
134.03629	3.7
137.02374	0.6
137.05963	1.2
141.06891	0.5
144.05659	0.6
145.02840	3.1
145.06450	0.8
146.03644	8.5
147.04395	3.3
148.05164	1.7
149.05960	1.1
151.03894	0.5
152.01054	2.1
153.01837	0.9
153.07013	0.6
155.04922	8.4
155.06042	0.8
156.05727	0.8
161.05992	6.3
162.06743	1.6
163.07542	2.5
167.04959	0.5
168.05685	0.6
171.04430	1.4
172.05147	1.4
175.03941	0.9
177.05528	1.2
179.07118	0.8
183.04408	6.0
184.05141	1.3
185.06061	1.1
187.07529	3.2
196.05122	0.7
200.04697	2.8
201.05429	0.9
211.03870	5.2
212.04674	1.5
213.05482	1.6
223.03983	0.7
224.04683	0.7
225.05472	1.8
228.04190	2.2
229.04970	1.0
239.03430	6.9
240.04150	1.0
241.04973	2.9
245.08177	1.1
252.04227	0.5
255.02904	1.3
256.03693	11.6
256.07178	2.9
257.04474	1.1
267.02933	0.6
268.03479	0.6
269.04495	1.7
271.06021	100.0
272.06430	0.9
283.06088	0.8
284.06781	0.8
285.03839	0.6
285.07693	0.6
286.04712	3.8
297.07684	1.9
299.05518	37.4
300.06250	10.0
301.07047	14.3
384.37833	0.7
418.10803	0.6
429.09793	1.8
446.09879	0.7
461.12347	62.6
462.12766	1.4
479.13126	1.4
521.14453	58.2
522.14374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53072	0.6
53.03933	1.4
55.05496	1.6
56.96554	1.5
59.53051	0.7
61.30760	0.6
65.03948	0.9
67.05517	4.2
68.99787	0.7
69.03403	3.1
69.07047	3.3
71.04997	1.6
71.57674	1.2
73.02864	0.8
79.05473	2.4
81.03425	3.6
81.07069	8.6
82.33576	0.6
83.04967	1.5
83.08591	1.2
84.35686	0.8
85.02927	3.9
87.00796	1.2
89.03923	4.4
91.05487	4.6
93.07054	4.6
95.04966	4.7
95.08605	6.0
97.02866	2.1
97.06506	0.9
97.10136	1.2
98.97565	1.5
99.04465	0.6
103.05424	1.3
105.07048	3.5
107.04959	4.9
107.08584	3.6
108.08038	0.7
109.02884	1.5
109.06514	1.0
109.10131	3.1
111.04418	1.1
111.08089	1.0
117.03389	9.1
117.06996	1.1
119.04925	0.9
119.08574	3.0
121.02811	0.9
121.06451	1.2
121.10149	2.3
123.04389	3.0
123.11725	1.7
127.03906	1.4
127.05439	1.1
128.06146	0.8
129.06946	1.0
131.04950	1.3
131.08563	1.8
133.02776	0.9
133.10144	1.6
135.04401	1.1
135.08037	1.1
135.11684	2.0
137.05954	1.8
137.09647	0.8
137.13332	0.8
141.06946	1.2
143.08400	0.9
145.02843	4.7
145.06430	1.5
145.10138	2.7
146.03584	1.1
147.04404	2.1
147.11655	1.7
149.02342	2.8
149.09547	0.8
149.13266	1.3
151.03859	1.8
151.07516	1.1
155.04926	14.9
155.06047	1.2
157.06442	1.4
157.10132	1.1
159.11676	1.5
161.02296	1.1
161.13248	1.0
163.11032	0.8
165.01840	0.9
165.05522	7.1
166.06271	1.6
167.07076	2.3
168.05692	1.2
169.06462	1.3
171.04440	1.6
171.08092	0.8
173.13246	0.9
175.03850	1.1
177.05502	1.3
179.03391	1.1
179.07004	1.1
180.07796	1.4
183.04433	15.1
185.05917	3.5
192.04080	1.2
193.04988	4.1
195.04530	1.0
196.05238	1.8
197.05998	2.9
207.06534	1.4
211.03960	8.4
212.04672	0.9
221.04489	1.0
222.05208	1.1
223.03938	2.0
224.04733	1.5
225.05486	12.6
239.03409	16.1
239.05736	1.3
240.04031	0.9
241.04987	2.8
251.03311	1.0
253.04939	11.8
254.05798	4.1
255.06346	0.8
255.17419	0.9
268.03729	1.1
269.04477	100.0
270.04950	2.2
282.05145	2.4
283.06042	35.5
297.03970	49.0
298.04715	6.0
299.05579	11.8
309.03970	3.4
360.15622	0.8
399.29178	1.0
404.11340	0.8
433.09174	1.7
444.07837	0.9
474.51358	0.7
477.11868	46.5
493.11566	0.8
503.09604	10.9
503.29993	1.1
521.10858	83.9
522.10974	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81844	0.3
55.05506	1.0
56.05040	1.6
57.03449	0.5
57.59721	0.3
58.06321	0.5
58.06568	1.6
59.07396	0.5
59.93306	0.3
60.08168	18.6
62.27245	0.3
67.05507	3.0
69.07062	1.1
70.06603	0.6
71.07381	7.2
71.09052	0.7
79.05487	1.0
81.07059	3.2
83.08617	0.6
86.09713	52.2
91.05468	0.7
93.07046	1.0
94.82153	0.3
95.08607	1.9
97.02906	0.3
97.06535	0.3
98.98485	4.6
104.10752	97.4
105.07037	0.5
105.11047	0.3
107.08614	0.4
109.10165	0.8
119.08669	0.4
121.10033	0.3
122.56532	0.4
125.00013	29.8
158.62108	0.3
163.01575	0.6
184.07353	100.0
185.07677	0.4
258.11053	1.3
337.27405	0.9
347.93158	0.3
368.54074	0.3
443.25406	0.4
502.32977	8.1
503.33194	0.4
520.34070	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	520.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52081	0.1
55.05514	0.3
56.05035	0.6
58.06616	0.3
60.08167	6.3
67.05505	0.6
69.07059	0.4
69.28664	1.0
71.07375	3.5
79.05471	0.3
81.07041	0.7
83.08627	0.2
86.09708	32.2
91.05486	0.2
92.36338	0.1
93.07037	0.2
95.08605	0.4
98.98469	3.2
103.55778	0.1
104.10748	3.1
105.07063	0.1
107.08607	0.2
107.59092	0.1
108.51206	0.1
109.10162	0.2
111.67287	0.1
125.00009	22.0
134.34369	0.1
184.07344	100.0
185.07689	0.4
258.11075	0.2
502.32925	0.6
520.34003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
56.96563	2.1
57.07083	1.8
67.05172	1.3
67.05512	20.4
68.99754	0.9
69.03423	4.6
69.07056	4.2
69.89010	5.4
79.05491	2.9
81.03439	2.4
81.07064	11.1
84.96037	1.7
85.02925	9.6
85.06556	1.5
86.09699	1.1
87.00823	2.5
91.05489	6.5
93.07073	6.9
95.04981	1.9
95.08620	5.0
97.02885	4.4
97.06534	1.8
98.97598	5.6
99.04427	1.4
102.05533	1.2
105.01898	5.3
105.07022	8.3
107.08598	7.2
109.02895	3.1
109.06516	3.0
109.10167	98.5
110.10517	1.4
110.97548	2.1
117.07006	2.0
119.04923	2.2
119.07798	2.0
119.08595	30.0
120.05222	1.0
121.06507	5.0
121.10129	4.8
123.08105	1.1
123.11715	2.3
125.90723	0.9
127.03944	6.2
128.98616	1.7
131.08556	3.6
133.10123	4.5
135.08076	6.7
135.11659	4.2
136.28917	0.9
137.09590	1.7
145.04987	3.6
145.10135	15.9
147.11700	13.8
149.13258	1.6
153.01830	4.1
154.02179	3.8
159.11703	6.2
161.13249	6.5
163.03905	1.3
163.11201	2.9
173.13264	1.3
175.14789	1.3
191.14268	2.5
191.17931	1.8
201.16422	11.6
205.87151	1.3
209.15361	1.8
219.01796	4.6
219.17458	24.9
220.02191	1.2
231.04883	1.5
237.02782	3.4
237.18481	1.9
238.03276	1.4
245.99069	1.1
270.23172	1.0
271.06049	65.8
272.06378	100.0
273.06424	1.6
289.07425	2.7
290.07901	3.8
297.04645	1.2
313.07120	1.2
315.05338	1.6
316.05649	3.2
335.14438	1.3
339.13263	2.1
340.05777	1.4
359.11179	4.9
442.09015	5.3
460.09863	4.7
520.12384	1.0
520.20636	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	520.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79309	1.4
57.00217	1.8
57.03439	3.2
57.50475	1.3
67.05519	1.7
69.03438	35.5
69.07066	3.5
69.46723	8.4
73.02923	5.2
79.05502	2.7
80.83418	1.5
81.07071	5.6
83.04995	3.6
85.02911	8.7
85.06559	2.8
91.05477	1.9
93.07050	3.3
95.04959	1.7
95.08598	7.3
97.02896	5.3
97.06529	2.2
105.06342	1.5
105.06996	3.4
107.08597	12.6
107.59439	1.8
109.02898	2.1
109.06533	4.3
109.10169	4.7
111.08088	2.9
115.03953	3.4
119.08591	3.6
121.06515	2.6
121.10143	6.5
123.11723	6.4
124.80266	1.5
125.09638	14.6
127.03905	2.2
131.08597	4.3
133.04959	2.6
133.10211	3.5
135.08051	7.3
135.11734	4.1
137.06013	1.7
145.10109	3.4
146.10323	1.5
147.04549	1.6
149.09633	5.0
149.13295	3.2
153.09187	4.2
158.10919	2.1
163.11238	3.6
163.14905	2.8
164.07164	2.0
165.12747	2.6
173.13269	10.8
176.10722	2.7
191.14310	58.4
194.11856	2.2
209.15387	100.0
210.15712	2.1
269.84653	1.8
271.05917	3.6
272.06433	6.0
348.43439	1.7
403.45987	1.6
434.42438	1.5
464.64093	1.5
520.24579	80.0
521.25317	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42060	3.2
53.03950	7.7
54.25440	3.2
55.01875	5.3
55.05512	11.4
56.42728	3.4
67.05504	12.3
67.96843	4.3
69.03414	14.4
69.07066	11.5
71.01416	4.0
71.01756	7.7
71.04998	21.7
72.07734	3.3
79.05499	21.1
81.03429	7.6
81.07064	55.4
83.04990	4.7
83.08626	4.7
85.02914	27.0
85.06527	8.0
87.00799	8.7
91.05486	27.4
93.07034	27.8
95.04975	8.2
95.08609	25.4
96.97112	3.7
97.02918	15.5
97.06530	9.4
97.10164	4.7
99.04452	6.9
99.08105	21.6
103.05483	11.3
105.01855	7.0
105.07037	76.1
107.08591	32.9
109.02882	6.4
109.06532	5.3
109.10175	26.0
117.07018	10.0
119.08594	26.2
121.06490	10.2
121.10178	23.0
123.08021	5.7
123.11725	10.4
125.05963	3.9
125.09622	43.2
127.03918	11.4
127.07540	6.2
127.11187	5.5
131.04927	8.8
131.08565	11.0
133.10139	100.0
135.08133	4.1
135.11710	6.9
137.05974	8.5
143.10689	93.0
145.04968	6.9
145.10146	28.4
147.11700	28.9
149.09653	4.7
149.13266	6.0
151.03912	11.3
151.11221	9.0
159.11664	18.0
161.13229	12.7
167.14351	14.4
169.12193	6.8
173.13223	5.8
177.12701	3.9
190.59583	3.8
193.12291	6.0
201.16409	25.0
211.13229	6.6
219.17442	64.6
227.10696	5.9
237.08975	4.3
237.18524	28.1
255.10220	11.6
271.05991	11.1
272.06372	17.0
317.16339	3.9
341.06754	4.0
472.77274	4.0
520.20544	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	520.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
66.25697	1.0
66.30840	1.0
67.05490	1.6
69.03420	1.8
69.07066	1.8
71.04981	2.9
74.78638	0.8
79.05502	2.3
80.05015	2.3
81.07057	2.8
83.04980	0.9
85.02908	2.3
91.05479	2.5
93.07049	2.3
94.06570	1.4
95.04984	2.0
95.08612	1.6
96.08144	1.2
105.07005	3.0
106.06590	1.1
107.08592	3.4
108.04482	2.2
108.08111	1.1
108.45798	1.0
111.08102	0.9
113.06005	2.5
117.06963	1.5
118.06546	2.3
119.08623	1.6
121.06493	1.0
121.10094	1.2
122.06001	1.2
124.07572	3.4
127.03922	1.8
130.06520	1.0
131.08600	1.6
132.08084	3.8
133.08844	1.2
134.04762	1.6
135.05527	1.5
135.08006	0.9
136.07616	1.7
137.06020	1.6
138.09091	1.4
141.05469	1.5
145.07608	1.9
146.06020	8.5
146.09598	1.7
147.05499	2.3
148.07568	3.2
148.11227	5.1
149.07130	6.1
149.10730	2.0
150.09151	2.1
152.10757	5.4
159.09149	3.3
160.07623	5.8
161.07111	3.1
162.09137	1.7
163.08665	2.1
164.07071	2.9
167.08202	1.3
173.07126	2.9
174.09167	5.4
175.08656	4.1
176.10730	35.9
177.10272	2.2
178.08604	4.7
182.08101	1.6
183.08984	0.9
185.07130	1.2
187.08675	5.0
189.10222	2.2
190.08559	1.1
191.08307	2.1
192.10191	1.6
194.11775	3.8
196.09634	1.3
201.06584	2.5
201.10202	4.0
202.08650	2.5
203.08119	1.7
203.11821	4.1
205.09819	1.3
206.08145	13.6
207.11214	1.0
208.09659	1.2
213.33984	1.0
215.08206	4.8
218.08134	1.9
219.07593	1.3
219.11331	2.8
219.17380	1.4
220.09695	7.7
221.09213	5.7
221.12801	6.1
222.11281	1.2
227.11780	1.1
229.09763	5.2
229.51645	1.2
230.08105	1.5
231.11310	1.1
232.09769	2.0
233.09169	6.7
234.09793	1.7
235.10835	5.6
236.11531	3.3
237.10164	1.1
238.10733	2.0
243.11237	1.1
247.10822	24.4
249.12401	3.2
251.10083	2.0
256.11755	1.5
257.09222	3.4
261.12375	1.5
265.11990	1.0
266.10428	1.5
271.06091	1.4
272.06387	2.1
274.09406	1.2
275.10233	5.8
275.13974	1.3
278.10233	1.3
279.13498	1.5
283.12872	6.2
287.13205	0.9
289.11966	9.6
293.11105	1.2
294.42786	0.9
307.12921	54.7
308.13669	5.8
317.15179	1.1
333.14261	1.7
339.13300	3.4
343.16473	1.3
367.12717	1.6
403.18521	4.0
416.21790	6.7
444.21024	1.8
458.22888	8.8
476.23969	100.0
477.24432	4.4
520.20728	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	520.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01869	2.9
56.96556	1.1
57.03423	3.0
61.02918	5.8
69.03422	10.3
69.66130	5.3
70.06584	1.1
71.04987	1.5
72.08140	1.8
73.02905	2.3
76.93111	1.0
81.03404	4.3
85.02908	32.0
91.03947	1.7
93.67854	1.1
97.02899	11.8
98.97578	1.5
99.04443	2.5
103.05428	2.0
109.02872	3.6
127.03923	7.1
131.04935	5.3
135.04410	3.6
137.02374	7.7
137.06049	1.1
139.03862	1.4
141.06952	1.4
141.28641	1.0
143.05000	1.5
145.02887	1.1
145.04970	6.4
147.04402	2.3
149.05972	3.8
151.07599	1.2
157.06482	1.0
159.04420	6.6
161.02373	2.4
161.05968	1.8
163.03912	21.5
169.06502	3.2
171.04439	2.2
173.05994	2.1
175.03923	3.5
177.05482	23.1
177.07018	1.6
179.03464	1.2
183.04488	1.9
185.05928	2.7
187.03894	3.7
187.07655	1.4
189.05493	7.5
189.06940	1.3
191.03391	2.0
193.04944	3.2
197.05939	3.6
199.03917	3.0
201.05510	6.7
203.03400	3.7
203.07083	1.2
205.04979	64.9
206.05289	1.3
207.02853	8.4
211.03647	1.1
213.05486	3.8
215.07034	3.6
217.04958	12.3
229.04980	4.4
231.06551	4.0
234.48476	1.1
234.70503	1.0
241.04907	1.8
243.06750	2.0
245.04381	3.7
247.06055	1.6
259.03671	0.9
259.06070	6.1
277.07144	6.9
287.05417	1.8
295.08160	2.3
300.06119	1.8
305.06494	3.0
310.07104	1.1
323.07632	100.0
324.07843	1.6
341.08649	3.6
358.11465	2.0
383.74179	1.0
520.25476	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79030	0.8
53.03968	1.6
55.05517	5.9
59.35598	0.9
67.05504	4.5
69.03416	3.6
69.07057	3.9
69.29147	7.1
71.04982	1.4
71.15830	0.8
73.02908	1.2
79.05492	4.3
81.03408	1.7
81.07061	11.9
83.04977	1.4
83.08630	1.2
85.02901	6.1
85.06532	1.8
87.00806	1.3
91.05493	4.2
93.07038	7.1
94.06567	3.0
95.07343	1.8
95.08598	5.6
96.08133	5.8
97.02863	1.7
97.06525	2.0
97.10176	12.4
99.04444	1.3
103.05446	1.0
105.07040	6.3
107.04974	1.5
107.08591	7.9
108.08112	5.8
109.02864	1.0
109.06528	1.8
109.10145	4.6
109.68505	0.9
110.09689	9.5
119.04894	1.8
119.08600	5.7
120.04459	4.5
120.08109	5.5
121.06522	4.3
121.10131	3.8
122.06041	1.4
123.11700	3.4
124.07559	1.9
125.09644	4.1
127.03902	2.0
131.08548	1.1
133.10101	3.2
135.08093	1.6
135.11682	7.4
136.07564	5.4
137.05969	3.3
137.09637	1.0
138.09152	11.0
143.10674	3.8
145.04968	1.0
145.10121	5.8
146.05998	1.5
147.11700	2.6
148.07603	1.2
150.09155	2.0
151.07523	2.4
152.07071	1.8
153.01872	5.2
153.12744	7.1
157.10161	1.0
159.11681	2.8
161.09517	1.1
161.13208	2.0
163.03981	1.0
163.11162	0.9
164.07069	1.3
166.08647	11.3
167.14319	1.1
173.13278	1.0
176.10680	1.1
177.05505	1.1
177.12776	1.6
187.14780	0.9
192.06480	1.1
207.09250	0.9
208.07697	0.8
209.10728	1.8
211.12263	0.9
212.09479	2.1
219.31485	1.0
221.10837	1.0
222.11507	0.8
223.08632	1.9
223.12231	2.0
224.09468	2.4
224.40561	0.9
225.10269	3.9
227.11815	1.7
233.10732	2.0
235.08664	3.1
235.16928	3.0
236.09433	2.3
236.17201	2.0
237.10248	15.3
238.10962	3.3
239.08151	2.5
239.11801	5.1
248.09352	2.0
249.10263	9.8
250.11006	2.9
251.08165	6.3
251.11835	10.0
252.08945	1.7
252.12576	1.6
253.09692	8.8
254.10390	1.0
255.11172	1.3
261.10199	7.0
262.11066	2.1
263.08209	2.2
263.11807	5.3
265.09714	16.5
266.10538	2.6
267.11353	6.9
267.21191	1.0
268.12152	1.3
269.09134	1.9
271.06024	93.7
271.10718	3.1
272.06329	2.3
275.08194	1.0
276.08817	0.9
277.09863	6.7
278.06519	0.9
278.07965	0.9
278.10498	6.4
279.07684	4.9
279.11258	17.1
280.12100	3.2
281.09293	2.3
281.12814	2.6
282.10114	1.4
283.10800	10.8
285.22174	1.2
287.13956	2.0
289.09781	11.3
291.11292	2.6
291.23132	1.8
293.09204	2.8
293.12796	6.7
294.09967	8.0
295.10678	5.8
296.11523	3.6
297.08676	1.6
297.12079	1.3
298.09515	1.2
299.10266	1.5
303.23303	3.1
307.10760	3.5
308.11279	1.8
309.08887	1.0
309.12238	4.2
309.24350	2.6
311.10410	12.7
311.13858	2.4
312.11057	3.8
313.07220	1.1
314.12543	2.5
317.09088	1.7
321.11978	1.0
321.24130	2.6
323.10162	1.0
323.13794	2.2
324.11005	3.4
325.11893	1.5
326.12628	9.1
327.13388	7.8
335.06717	1.3
335.10275	10.7
337.11880	1.5
339.13403	69.6
339.25275	4.3
340.10583	4.6
352.10510	1.4
353.11234	1.6
354.12119	7.5
355.09354	0.7
355.12881	22.4
367.12909	62.7
460.18765	2.3
474.19693	1.1
479.20432	1.5
488.11969	1.4
488.18198	15.5
492.21347	12.6
519.11353	2.0
520.20831	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	519.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99756	0.5
53.85004	0.4
54.21391	0.4
69.59000	2.9
79.05494	0.5
81.07061	1.0
85.02934	0.7
91.05492	0.6
101.38114	0.5
101.81419	0.4
107.08642	0.6
121.02856	0.5
137.06009	2.4
140.93092	0.4
196.75932	0.5
204.90620	0.4
271.06033	1.4
283.06213	0.5
313.06943	0.8
323.09064	0.6
337.06790	0.5
357.18851	3.0
459.22025	0.6
487.21387	1.0
519.24207	100.0
520.24634	3.8
545.38898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
53.99728	0.5
55.01871	0.8
55.05511	0.8
57.03447	0.7
59.04986	0.4
61.02929	0.7
65.03944	0.5
67.05502	1.0
68.99797	1.5
69.03426	2.3
69.07074	0.6
69.85068	2.6
71.05010	0.7
73.02919	0.5
76.16600	0.4
78.53137	0.5
79.05497	0.5
79.38657	0.6
81.03409	2.6
81.07060	1.9
83.04993	1.3
83.08643	1.0
85.02916	4.5
85.06596	0.5
87.00845	1.7
91.05482	1.6
93.07051	0.5
95.04977	1.0
95.08606	0.9
97.02901	1.7
98.21376	1.0
99.04493	1.0
103.03941	0.6
105.07047	1.1
107.05008	0.6
107.08609	1.1
109.02888	1.9
109.06505	0.9
109.10177	2.5
116.74213	0.5
117.03442	0.5
117.64665	0.5
119.04971	1.8
119.08591	0.6
121.02878	3.9
121.10169	0.7
122.03591	0.5
123.11723	0.5
124.07660	0.7
127.03955	2.5
131.08578	0.5
133.10179	0.7
135.04494	0.7
137.02383	0.6
137.06003	3.6
141.01900	0.6
145.02869	1.9
146.02704	0.5
149.02327	2.2
149.09695	0.6
159.11685	0.5
163.03935	2.0
165.01855	5.1
167.03465	1.6
177.01949	1.2
177.05505	1.2
183.02931	1.6
187.03932	1.5
189.01855	0.6
191.03488	0.7
191.14496	0.6
195.03006	1.4
195.22694	0.5
203.05313	0.6
205.04961	0.6
209.15462	0.5
209.80682	0.5
215.03358	1.3
223.14761	0.5
223.17101	0.6
229.04938	1.0
235.16879	0.8
239.07141	0.8
243.02975	0.7
244.06805	0.5
253.18077	1.0
255.06604	0.5
259.08011	1.3
267.06552	5.5
270.05304	1.7
271.06036	4.3
279.06641	1.5
281.08017	4.7
283.06036	23.4
284.06760	6.5
295.06094	8.4
295.09729	2.5
297.04419	0.8
297.07370	2.5
305.08231	2.3
307.06140	1.7
308.06766	2.7
309.04199	0.9
309.07562	13.2
309.11084	0.8
311.05627	0.7
313.07059	38.3
314.07507	0.9
323.05457	1.0
323.09171	11.1
323.12918	0.9
327.12070	0.7
333.07559	4.7
337.07065	19.5
351.08707	2.5
357.18921	2.2
361.07089	5.7
379.03217	1.2
379.08151	22.9
380.08542	1.0
397.09219	2.7
415.10126	1.4
439.10220	1.5
459.21909	0.8
465.08249	1.1
475.22946	0.8
476.24237	1.4
483.09283	11.2
484.10068	0.6
487.21509	1.1
501.10553	3.0
501.23203	0.6
519.24213	100.0
520.24585	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	519.1501
Annotation	Medicarpin 3-O-(6'-malonylgluclside)
Peak:m/z	Relative Intensity
53.03934	1.1
55.01864	1.0
57.03436	0.6
61.02924	0.5
65.03934	0.4
67.05493	1.1
68.99784	1.0
69.03451	1.9
69.30094	1.6
69.30521	1.8
79.05500	2.7
81.03419	2.0
81.07061	1.3
83.51503	0.4
85.02901	5.2
87.00836	1.4
91.05476	1.1
94.04185	0.5
95.04993	1.8
97.02886	1.5
99.04482	0.9
103.03934	0.5
103.59932	0.4
105.01884	1.3
107.04966	0.7
109.02865	1.3
109.06524	7.9
119.04945	1.1
121.06490	0.8
123.04437	27.6
127.03923	2.8
129.01907	0.6
131.04964	0.4
133.06488	0.7
135.04424	1.0
137.05986	100.0
145.04965	1.0
147.04414	4.6
149.05956	1.4
159.02908	1.4
161.05997	14.8
162.06799	1.0
163.03935	1.4
165.05553	1.9
177.05479	1.8
189.05508	0.8
201.05356	0.4
203.07162	0.5
213.05513	0.7
231.06564	0.8
243.10223	1.0
257.08261	0.4
269.08185	0.8
271.09665	31.0
272.10104	0.6
283.09726	0.5
295.09723	1.9
308.19559	0.4
313.10660	1.1
337.10754	0.9
361.10904	0.9
379.11752	1.6
403.31390	0.4
519.54272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90555	0.5
57.27545	0.5
64.29237	0.6
67.05479	0.6
69.59372	3.8
74.78951	0.4
85.57587	0.5
89.03920	3.3
95.98795	0.5
101.46210	0.5
103.05515	2.5
105.07027	1.5
107.01257	0.8
110.86901	0.6
115.05410	1.0
117.03383	8.5
118.04155	1.6
119.04923	0.8
123.00771	0.9
123.57681	0.5
127.05411	0.7
128.06227	0.8
129.07016	1.0
130.04141	1.4
131.04933	5.1
133.06470	0.5
137.05969	0.6
139.92581	0.5
145.02876	2.7
145.06496	0.8
146.03635	9.0
147.04417	4.2
155.03714	1.1
155.04927	14.9
155.06053	1.0
157.06557	0.6
161.05983	7.8
162.06738	1.5
163.07565	1.8
167.04866	0.6
168.05684	1.7
171.04431	2.2
181.06360	0.6
183.04428	12.8
184.05180	1.0
185.06018	4.7
190.56549	0.6
195.04350	0.6
196.05212	1.8
197.05952	0.6
211.03906	7.2
212.04684	3.0
213.05441	0.9
223.03973	1.3
224.04608	1.2
225.05484	0.9
239.03384	16.5
240.04149	2.0
241.04964	4.6
253.05127	0.9
254.05695	2.4
265.05054	1.0
267.03040	1.3
268.03714	1.8
269.04468	100.0
270.04825	1.2
282.05136	0.9
295.06061	1.2
297.03952	41.3
298.04709	11.3
299.05557	15.4
375.22528	0.6
427.08160	2.6
444.08487	0.8
459.10794	65.1
460.11017	2.1
477.11783	1.0
519.12903	49.1
520.13275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1162
Annotation	Genistein 7-O-glucoside-6''-malonate
Peak:m/z	Relative Intensity
56.96574	2.0
67.01862	0.5
67.05511	0.5
68.99818	0.3
69.03429	0.6
69.07066	0.4
71.58243	0.2
73.63792	0.2
81.03416	0.4
81.07053	0.8
84.96049	1.3
85.02905	0.5
87.00776	0.3
91.05476	0.7
91.26160	0.2
93.07056	0.4
95.04970	0.2
95.08601	0.5
97.02873	0.4
98.96931	0.2
98.97587	4.0
99.04437	0.3
103.92923	0.2
105.07015	0.5
107.08592	0.5
109.02904	0.2
109.10162	0.8
110.97584	2.2
112.99140	0.5
116.98634	0.9
119.04963	2.4
119.08581	0.7
121.02877	0.7
121.06508	0.3
121.10143	0.4
127.03908	0.5
128.98621	1.5
131.00156	0.3
131.04962	0.2
131.08521	0.3
133.10155	0.4
136.94002	0.2
137.05951	0.6
140.98604	0.2
143.00160	0.5
145.02843	0.7
145.10066	0.3
146.99620	0.3
151.03947	0.3
153.01846	4.6
153.02946	0.2
158.99670	0.5
159.11641	0.2
161.01231	0.5
161.06038	0.3
163.03922	0.3
167.07039	0.2
170.99672	0.7
171.02966	0.4
177.00688	0.3
177.05510	0.3
189.00725	0.5
201.00742	0.9
211.04333	0.2
219.01778	4.9
219.03905	0.3
225.05463	0.4
229.04865	0.2
230.65143	0.2
237.02835	3.8
242.03236	0.3
243.06403	0.3
245.04773	0.2
253.05345	1.1
255.03897	0.2
266.00504	0.2
267.03510	0.3
269.04712	0.2
271.06042	100.0
272.06299	1.6
279.14511	0.2
281.04645	0.2
283.06100	0.3
285.04120	0.2
289.07504	6.0
295.06070	0.3
297.04434	1.3
299.06122	0.4
303.05447	0.2
311.05942	0.7
313.07251	0.8
315.05408	5.0
317.07083	0.3
323.09418	0.3
329.06912	0.5
333.06494	1.6
337.07233	0.4
339.05347	1.2
357.06253	1.2
357.10126	0.2
369.06366	0.4
379.08276	0.4
381.06519	0.2
393.06760	0.2
399.07510	0.3
411.07214	0.3
415.10751	0.5
441.08633	4.2
459.09705	4.4
482.10635	0.3
519.11316	0.6
519.20300	0.6
519.31372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1139
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03932	0.9
55.01880	0.7
55.05536	0.5
57.03430	0.9
61.02927	0.4
67.05490	0.6
68.99785	0.7
69.03436	2.4
69.52083	1.7
69.52511	1.3
71.04980	0.4
72.96381	0.4
79.05490	0.5
81.03429	2.8
81.07042	0.8
83.04967	0.4
85.02916	4.3
87.00822	1.5
87.04461	0.4
89.06048	0.8
93.07016	0.7
94.04259	0.3
95.04971	0.6
95.08598	1.0
97.02895	2.2
99.04453	1.5
103.03960	1.8
105.01869	0.5
107.04969	0.7
107.08616	0.6
109.02887	2.2
109.06544	0.4
109.10149	0.4
111.04404	0.5
119.04910	0.9
121.02882	5.8
121.03767	0.7
121.10139	1.2
125.09682	0.4
127.03923	4.0
133.02840	0.7
133.08600	0.4
134.41957	0.4
135.04430	0.6
137.02350	5.0
141.06868	0.4
145.02805	0.5
145.04973	2.4
145.10100	0.4
145.32407	0.4
149.02325	2.4
158.36626	0.3
159.02855	0.8
163.03889	0.4
163.06021	1.0
165.01808	3.1
167.03430	1.2
170.17377	0.4
177.01807	0.4
177.16360	2.1
183.02867	0.8
195.17474	0.5
197.06021	2.7
205.05138	0.5
207.15944	0.7
213.05505	0.5
215.07074	1.9
225.05469	0.6
242.05797	1.2
243.02896	0.5
243.06425	0.5
256.07211	0.8
267.06598	1.5
270.05215	0.6
271.06021	100.0
272.06299	2.0
273.57706	0.4
279.06534	0.5
281.07968	0.5
283.06021	17.1
284.06830	4.4
295.06113	5.5
295.09518	0.8
297.07544	2.2
308.06201	0.4
309.07581	1.3
311.05463	0.5
313.07074	16.9
321.07584	0.9
323.09073	2.8
325.06992	0.7
333.07660	0.8
337.07132	2.7
349.06970	4.0
351.08578	1.0
361.07193	1.7
367.08118	2.7
379.08102	3.4
397.09232	2.1
415.10135	0.5
439.10220	1.4
457.11481	1.2
483.09198	0.8
501.10623	2.1
519.11578	2.4
519.23840	0.7
519.31256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.114
Annotation	Apigenin 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.37275	0.1
53.50601	0.1
55.01880	0.1
60.20461	0.1
68.99789	0.6
69.03436	0.3
69.07089	0.2
71.58154	0.2
73.02950	0.1
75.89314	0.1
78.29517	0.1
79.05508	0.1
81.03420	0.4
85.02895	0.4
87.00826	0.2
91.05487	1.5
93.07060	0.1
95.04932	0.1
95.08602	0.2
97.02897	0.2
99.04456	0.1
105.07040	0.1
107.04984	0.2
109.02888	0.5
111.00781	0.2
117.07052	0.1
117.62856	0.1
119.04928	0.7
121.02838	0.4
127.03895	0.5
129.07045	0.1
131.04897	0.2
131.08595	0.2
133.02827	0.2
137.02362	0.1
137.05991	0.4
141.06989	0.3
145.02840	1.4
145.05009	0.1
145.06467	0.2
147.04439	0.2
147.08058	0.2
149.02356	2.5
150.03140	0.2
153.01830	5.6
159.03079	0.1
159.04425	0.8
159.08041	0.1
165.01816	0.6
169.06488	1.0
171.03050	0.1
171.10364	0.1
173.06046	0.2
175.07584	0.2
183.02917	0.2
187.07556	0.4
197.06010	1.0
201.05450	0.2
213.05412	0.1
215.07040	5.6
219.06535	0.1
225.05438	0.4
227.07021	0.2
231.05312	0.1
243.06537	3.3
253.05011	1.7
255.51125	0.1
271.06015	100.0
272.06360	2.0
283.05963	0.1
287.44092	0.1
313.06943	0.1
433.11099	0.2
448.15167	0.1
479.08282	0.1
519.11591	0.9
519.23639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1137
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.29063	0.1
54.55510	0.1
59.10210	0.1
60.60044	0.1
66.51275	0.1
67.01872	0.5
68.99770	0.4
69.00123	0.1
69.03419	0.1
69.09865	0.1
70.71719	0.1
70.72052	0.1
75.65131	0.1
81.03408	0.2
85.02915	0.1
85.07047	0.1
87.00813	0.1
89.59922	0.1
91.05465	0.5
97.02866	0.1
99.04414	0.1
99.81192	0.1
107.08607	0.1
111.00794	0.1
119.04947	1.8
121.02872	0.6
125.02343	0.1
127.03922	0.1
129.01814	0.1
139.41010	0.1
145.02838	0.6
153.01830	4.9
163.03902	0.5
171.02881	0.4
187.03883	0.2
197.06055	0.1
203.07132	0.1
225.05441	0.3
229.04865	0.3
232.42415	0.1
243.06557	0.4
247.06087	0.1
271.06003	100.0
272.06335	2.1
433.11282	1.0
475.12747	0.1
501.10104	0.2
519.11389	1.7
520.11414	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	519.114
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
58.56531	1.3
60.62720	1.1
61.02943	2.4
65.03949	1.3
65.97970	1.2
68.99798	3.4
69.03429	1.4
69.46635	8.6
81.03433	1.7
85.02902	6.4
87.00845	1.7
91.05492	2.8
98.20800	2.7
119.04961	3.2
119.13184	1.1
121.02876	8.0
131.04929	1.7
133.79759	1.4
145.02853	4.3
149.02364	2.9
163.03957	5.8
165.01859	14.0
167.03462	3.8
177.01831	2.5
177.05388	1.4
177.84500	1.2
183.02902	3.4
183.93825	1.2
187.03926	4.2
195.02887	1.9
215.03410	1.6
229.05042	3.2
239.07085	1.7
243.02942	2.3
259.08044	1.7
267.06522	11.0
270.05316	4.0
271.06018	9.5
279.06552	3.3
281.08087	9.2
283.06046	68.3
284.06808	11.7
285.07755	1.8
295.06070	16.6
295.09665	4.3
297.04303	1.9
297.07648	5.3
305.08154	8.7
307.06110	5.5
308.06906	6.2
309.04233	2.5
309.07574	32.0
309.11063	2.0
311.05569	2.8
313.07080	100.0
323.09161	30.8
333.07559	12.9
337.07083	49.9
351.08701	5.4
357.18982	2.8
361.07001	12.9
367.08282	2.3
379.08170	61.3
397.09409	7.7
415.10248	3.1
421.09515	2.4
439.10284	3.0
465.08298	2.1
483.09332	30.4
501.10080	8.7
519.24231	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	518.325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69380	0.1
55.05511	0.2
56.05037	0.7
58.06637	0.5
58.08174	0.1
60.08171	5.8
67.05506	0.5
69.07076	0.1
69.44315	0.1
70.06587	0.2
70.79489	0.3
70.79857	0.2
71.07378	3.2
79.05502	0.5
79.82920	0.1
81.07066	0.4
86.09715	32.0
91.05473	0.3
91.75174	0.1
93.07053	0.4
95.08611	0.3
98.98472	3.8
104.10757	3.1
105.07016	0.2
107.08610	0.2
109.10100	0.1
125.00018	21.8
143.01067	0.2
175.34735	0.1
184.07358	100.0
185.07709	0.3
203.07051	0.1
204.07335	0.1
258.10925	0.2
335.25735	0.2
388.67896	0.1
500.31400	1.0
518.21979	0.2
518.24829	0.1
518.32513	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78518	0.3
51.85635	0.3
52.99206	0.3
55.05506	1.0
56.05029	1.3
57.03439	0.6
58.06600	1.4
60.08167	18.6
67.05508	3.2
69.07059	0.8
71.07027	0.5
71.07383	6.8
77.36900	0.3
79.05492	2.0
81.07065	1.7
86.09711	50.8
91.05471	1.1
93.07053	2.2
95.08630	1.7
98.98469	5.0
104.10751	100.0
105.06998	0.4
105.67807	0.3
107.08609	0.7
109.10167	0.5
121.10145	0.6
125.00014	31.9
163.01607	0.4
184.07352	99.1
185.07657	0.4
221.03023	0.5
229.13264	0.4
236.82640	0.3
245.02983	0.5
258.10999	1.2
260.05334	0.4
263.04144	0.6
278.06409	0.3
335.25815	0.9
388.16138	0.3
441.23990	0.5
444.68283	0.3
480.70120	0.4
495.15091	0.7
500.31363	7.6
518.32471	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.3
56.96568	11.2
57.03432	12.2
61.02927	10.9
69.03430	29.4
71.57027	2.6
72.04520	2.5
73.02921	16.8
81.03423	7.8
83.01387	1.7
84.96036	2.7
85.02425	3.7
85.02910	54.5
87.04448	3.2
91.03927	2.6
97.02904	27.2
98.01271	1.7
98.24453	1.8
98.97585	39.2
99.04443	5.8
100.99147	3.3
101.00765	3.1
101.02343	2.1
109.02893	5.1
110.01280	5.6
110.97581	10.3
112.99108	4.9
114.80493	1.7
115.04007	2.6
116.01222	2.4
116.98623	9.4
119.01778	10.7
122.01250	1.9
125.01788	2.0
127.03931	25.0
128.98624	8.9
131.00203	4.2
131.01782	3.8
134.99635	1.9
140.02327	10.3
143.00162	5.9
143.01825	4.0
144.98087	1.7
145.01744	2.4
145.04962	11.8
146.02327	11.1
146.99565	2.8
149.02863	2.2
152.02309	7.5
152.98509	2.0
155.02866	10.0
158.99648	26.8
161.01250	3.6
161.02834	5.9
162.07605	12.7
167.02870	2.7
167.05521	2.8
169.04437	9.5
170.03349	3.6
170.99649	16.6
171.05106	3.9
173.01271	3.5
173.02829	3.9
175.02863	1.7
176.03389	13.1
176.05992	12.4
177.00751	13.0
177.04138	3.6
178.04982	11.3
182.03383	17.4
182.99667	7.6
184.04909	4.3
185.03885	6.8
186.04680	3.9
189.00743	9.7
191.03882	40.4
191.54016	2.3
200.04433	34.3
200.54485	2.5
201.00716	15.1
205.03906	1.8
207.05260	2.3
209.04987	3.6
210.71802	2.0
213.00670	2.1
219.01750	22.9
220.02068	2.2
223.04704	2.7
231.01782	5.7
237.02763	8.2
238.02989	2.0
243.01701	6.6
244.35208	1.7
249.02867	7.5
249.08157	1.9
250.07054	8.6
251.04391	2.2
257.03406	2.3
257.05954	7.3
257.08502	4.2
258.06781	2.3
259.07510	16.2
261.02823	19.1
263.06165	2.2
266.06488	22.2
266.09213	10.3
267.07175	6.2
272.06485	38.1
272.56766	3.2
274.08218	3.1
274.58240	2.2
279.03906	10.2
279.06912	2.3
281.07071	100.0
281.57306	11.5
282.07184	2.0
288.07928	3.4
291.03934	5.5
293.05548	2.2
321.04919	3.8
324.12509	2.5
340.10101	4.8
347.09348	6.8
347.61255	3.8
351.11307	8.1
362.09607	23.1
362.59979	2.9
367.09253	3.8
368.09418	7.5
381.07065	3.8
387.96774	1.8
441.09146	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.03949	3.8
55.01871	1.2
55.05512	13.4
57.03435	5.7
57.07075	2.9
58.05278	1.0
63.46593	1.0
65.29662	1.3
67.05510	37.8
68.10673	1.1
69.07071	17.0
69.60206	6.6
71.04990	2.2
76.14560	1.2
79.05494	24.7
81.07063	40.9
81.69065	1.1
83.04986	2.0
83.08633	9.2
85.06542	2.6
85.62878	1.0
87.51818	1.1
91.05481	24.7
91.06001	1.7
93.00164	1.5
93.07050	35.3
95.04990	2.8
95.08616	34.1
97.06552	1.6
97.10172	4.0
99.08129	1.6
105.04530	1.9
105.07034	31.5
107.08607	21.3
109.06537	1.6
109.10162	16.1
110.26501	1.2
111.08115	1.9
113.00056	1.8
117.07021	7.8
118.49114	1.1
119.08591	26.3
121.06564	1.5
121.10146	18.4
123.08109	2.5
123.11726	3.4
128.06194	2.0
129.07034	5.1
130.07774	1.2
131.08577	16.6
133.10127	18.9
135.04485	1.5
135.08060	1.4
135.11705	11.6
137.13229	1.3
141.07010	1.2
143.08598	5.4
143.68224	1.2
145.10138	22.4
147.11674	15.4
149.09613	2.0
149.13275	5.0
155.08560	2.0
157.10129	5.9
159.11705	13.5
161.13266	9.6
163.11255	1.4
163.14839	3.0
169.10139	2.5
169.38702	1.2
171.11670	7.8
173.13304	9.4
175.14830	5.6
183.11780	2.4
185.13365	5.4
187.14885	6.6
189.16508	2.5
197.13339	2.4
199.14824	3.6
201.16428	3.1
203.07118	4.2
203.18118	1.3
211.14807	2.1
213.16560	2.6
229.19530	1.2
231.17534	1.6
239.16382	1.6
241.17949	1.7
245.19225	1.2
253.19678	2.1
259.20670	3.2
267.10284	1.4
269.08017	1.7
271.20679	1.3
279.06470	1.5
281.08084	2.9
287.23694	1.7
297.07675	1.9
301.21747	1.5
301.25232	2.2
309.07535	2.3
313.25174	2.2
315.08636	1.7
327.27182	1.5
331.26260	1.7
333.24420	2.2
343.26447	1.2
351.93057	1.3
357.28165	1.8
405.30252	3.0
407.28107	2.2
407.32800	5.5
425.34216	13.1
443.35263	7.4
449.19339	1.2
461.18817	1.6
463.35617	1.6
499.24686	1.7
499.37878	21.6
517.24860	8.0
517.38953	100.0
518.39349	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.05510	1.5
57.03426	1.4
64.19449	1.0
67.05498	1.4
69.03431	5.2
69.07053	3.1
70.10670	3.7
70.11042	1.9
71.04987	2.6
79.05485	2.3
81.03423	5.2
81.07069	10.8
85.02914	25.7
85.06518	1.3
91.05489	4.8
92.76768	1.3
93.07042	5.9
95.08615	13.1
97.02895	8.3
98.21435	1.3
99.04465	15.9
99.08105	2.8
103.03302	2.0
103.03949	30.6
105.07039	12.3
107.08607	7.8
109.02888	5.2
109.10171	1.0
117.07028	1.8
119.08585	43.6
121.10148	1.8
123.11678	2.5
127.03925	33.9
131.08574	2.8
133.10138	54.7
135.11713	7.0
137.05998	2.0
145.03900	1.6
145.04965	22.6
145.10056	1.1
147.11687	4.2
163.06041	16.2
167.07114	1.2
173.13382	1.0
175.14833	100.0
176.15063	1.3
187.05988	2.4
193.15918	7.8
199.05769	1.0
201.05463	1.7
205.07045	1.4
211.16907	3.7
245.52119	1.1
251.09106	1.1
254.05626	2.0
269.08182	5.7
271.08289	1.8
289.09036	1.4
307.10196	2.4
331.96722	0.9
473.22955	1.2
503.30002	1.1
517.21191	3.9
517.29291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3894
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.02376	1.4
53.03949	3.8
55.01871	1.2
55.05512	13.4
57.03435	5.7
57.07075	2.9
58.05278	1.0
63.46593	1.0
65.29662	1.3
67.05510	37.8
68.10673	1.1
69.07071	17.0
69.60206	6.6
71.04990	2.2
76.14560	1.2
79.05494	24.7
81.07063	40.9
81.69065	1.1
83.04986	2.0
83.08633	9.2
85.06542	2.6
85.62878	1.0
87.51818	1.1
91.05481	24.7
91.06001	1.7
93.00164	1.5
93.07050	35.3
95.04990	2.8
95.08616	34.1
97.06552	1.6
97.10172	4.0
99.08129	1.6
105.04530	1.9
105.07034	31.5
107.08607	21.3
109.06537	1.6
109.10162	16.1
110.26501	1.2
111.08115	1.9
113.00056	1.8
117.07021	7.8
118.49114	1.1
119.08591	26.3
121.06564	1.5
121.10146	18.4
123.08109	2.5
123.11726	3.4
128.06194	2.0
129.07034	5.1
130.07774	1.2
131.08577	16.6
133.10127	18.9
135.04485	1.5
135.08060	1.4
135.11705	11.6
137.13229	1.3
141.07010	1.2
143.08598	5.4
143.68224	1.2
145.10138	22.4
147.11674	15.4
149.09613	2.0
149.13275	5.0
155.08560	2.0
157.10129	5.9
159.11705	13.5
161.13266	9.6
163.11255	1.4
163.14839	3.0
169.10139	2.5
169.38702	1.2
171.11670	7.8
173.13304	9.4
175.14830	5.6
183.11780	2.4
185.13365	5.4
187.14885	6.6
189.16508	2.5
197.13339	2.4
199.14824	3.6
201.16428	3.1
203.07118	4.2
203.18118	1.3
211.14807	2.1
213.16560	2.6
229.19530	1.2
231.17534	1.6
239.16382	1.6
241.17949	1.7
245.19225	1.2
253.19678	2.1
259.20670	3.2
267.10284	1.4
269.08017	1.7
271.20679	1.3
279.06470	1.5
281.08084	2.9
287.23694	1.7
297.07675	1.9
301.21747	1.5
301.25232	2.2
309.07535	2.3
313.25174	2.2
315.08636	1.7
327.27182	1.5
331.26260	1.7
333.24420	2.2
343.26447	1.2
351.93057	1.3
357.28165	1.8
405.30252	3.0
407.28107	2.2
407.32800	5.5
425.34216	13.1
443.35263	7.4
449.19339	1.2
461.18817	1.6
463.35617	1.6
499.24686	1.7
499.37878	21.6
517.24860	8.0
517.38953	100.0
518.39349	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
55.01859	1.6
55.05513	6.8
55.15765	0.7
56.66306	0.8
57.03428	2.2
57.07063	1.3
57.54565	0.9
59.04991	1.4
59.90505	0.8
61.02928	2.4
63.05142	1.0
67.05505	12.6
69.03068	1.3
69.03435	19.6
69.07073	4.7
71.04992	6.2
71.08616	0.8
71.09239	2.1
73.02911	2.7
79.05489	4.1
81.03418	17.4
81.07055	8.9
81.59335	0.8
83.04980	5.8
83.08611	2.6
85.02911	45.1
85.06538	6.2
91.03983	1.1
91.05494	5.6
93.07050	19.8
95.04981	12.8
95.08614	23.6
97.02901	25.4
97.06523	1.3
97.10157	1.1
98.20792	1.0
99.04459	33.5
99.08099	100.0
103.03951	38.1
103.04636	1.9
105.07029	4.2
107.08600	17.4
109.02885	16.9
109.06519	2.6
109.10164	26.9
111.08079	1.3
113.05983	1.1
115.03924	1.1
117.07005	1.1
119.08582	6.6
121.09382	1.4
121.10153	9.8
123.08047	1.1
123.11723	9.9
125.09644	6.7
127.03924	63.8
127.07546	1.4
133.10138	9.1
135.04401	1.7
135.11705	22.9
137.09615	12.2
139.58917	1.0
145.04967	27.1
147.11826	1.0
151.11162	1.5
155.10674	24.9
163.06026	9.5
165.16493	4.2
169.04948	1.3
175.14841	6.6
183.10129	1.0
187.06039	6.7
193.15889	33.7
200.65796	1.2
205.07063	2.5
211.16940	85.6
212.17186	1.6
253.07222	1.7
269.08087	5.9
271.08069	5.0
277.17880	1.9
280.89041	0.9
280.93149	1.0
289.09235	1.7
307.10190	2.4
319.19092	1.0
517.26306	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.135
Annotation	Formononetin 7-O-beta-D-glucoside-6''-O-malonate
Peak:m/z	Relative Intensity
55.01877	0.1
68.99788	0.1
69.95598	0.3
81.03394	0.1
85.95928	0.1
90.04681	0.1
90.90238	0.1
95.04968	0.1
103.05421	0.1
105.07018	0.2
105.41051	0.1
107.04955	1.3
107.05614	0.1
108.02113	0.2
112.20268	0.1
118.04166	2.7
119.04577	0.1
123.04417	0.1
123.84843	0.1
133.02869	0.2
133.06496	0.4
135.04401	0.1
136.01549	0.6
137.02348	0.8
147.04419	0.1
152.06218	0.1
153.07011	0.2
154.02621	0.8
156.05727	0.2
157.06477	0.1
158.07259	0.1
163.03880	0.3
165.06966	0.2
169.06480	0.1
170.07274	0.3
171.08104	0.1
181.06471	0.6
182.07271	0.3
183.08087	0.1
184.05173	0.2
185.09653	0.1
195.08031	0.2
197.05966	1.6
198.06769	0.9
200.04819	0.1
200.80428	0.1
209.05992	0.1
210.06956	0.1
211.07468	0.1
213.09117	5.4
214.09290	0.1
225.05504	0.7
226.06250	3.1
229.66060	0.1
237.05478	5.0
238.05948	0.1
241.08650	0.3
251.06786	0.1
253.04980	3.9
254.05751	6.3
255.06107	0.1
258.05164	0.1
269.08093	100.0
270.08435	2.2
279.25641	0.1
359.65338	0.1
517.13348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01874	1.0
56.96553	1.3
57.15154	0.8
58.73243	0.8
59.99165	0.8
65.71293	0.8
69.03451	3.8
70.05914	3.3
70.06569	0.8
72.08153	1.9
81.03425	2.2
84.08167	1.1
85.02901	8.5
86.70183	0.7
91.05499	1.1
91.44176	0.8
94.20751	0.8
95.01333	0.8
97.02895	3.1
98.20828	0.8
98.97572	1.7
102.96815	0.9
103.03941	1.0
109.02866	1.5
116.98628	1.0
121.07636	1.2
123.04466	0.9
127.03942	2.3
128.07091	1.0
128.10741	1.0
137.06009	1.1
145.02873	1.4
147.04422	1.8
149.05971	1.1
151.03951	2.2
161.06018	1.5
163.03908	1.5
164.48917	0.8
165.05467	2.2
177.05489	2.6
178.06258	1.1
179.11806	1.4
189.05490	13.7
189.10252	2.5
192.04204	1.0
193.04955	6.5
201.05424	1.1
203.07011	6.0
205.04974	94.0
206.05717	14.0
207.06517	1.3
215.07248	1.1
217.04964	15.0
217.08342	1.4
219.06427	4.4
221.12938	0.8
227.07076	3.4
229.05011	3.3
230.05832	1.0
231.02885	2.3
231.06520	21.7
233.04459	2.4
235.06020	100.0
237.02824	1.4
243.02808	1.6
243.06596	2.7
245.08093	11.9
247.06105	1.3
255.06564	3.5
259.06030	41.3
265.07132	1.1
271.06088	8.9
273.07596	4.0
283.06070	9.6
289.07095	25.2
301.07050	16.0
305.07678	1.4
319.08112	19.4
323.16202	1.2
337.09186	27.9
355.10266	49.1
517.23102	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	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94997	4.5
53.03939	11.2
55.01868	7.9
55.05505	23.0
57.03431	8.8
57.07071	5.7
65.64638	4.7
67.05508	85.0
67.50947	4.6
69.03420	21.7
69.07066	26.5
69.86649	4.8
71.04986	5.7
71.58080	8.3
73.02908	7.5
79.05495	59.6
81.03421	15.8
81.07063	100.0
83.04975	12.4
83.08628	9.9
83.68452	5.5
84.08124	5.2
85.02905	10.7
85.21813	5.1
91.05477	43.4
93.07048	80.3
95.04964	13.0
95.08608	70.1
97.02866	6.7
97.06524	8.3
97.10188	7.4
99.08104	4.9
105.07041	47.3
107.04915	5.6
107.08603	49.4
109.06512	10.3
109.10155	35.1
117.07029	19.8
119.08585	36.4
121.10106	34.0
123.08054	14.5
123.11734	12.5
129.07030	7.0
131.08566	24.0
133.10126	26.1
135.11705	26.1
141.07053	7.0
145.10161	26.8
147.11673	16.5
149.09653	6.1
149.13254	11.6
157.10138	9.6
159.11713	20.1
161.13239	12.4
163.14749	12.1
171.11716	7.3
173.13281	15.1
175.14786	6.6
187.14841	11.1
203.03397	7.3
203.07030	9.3
205.05136	6.3
232.18314	5.5
243.21120	25.7
261.22174	57.0
303.23328	6.1
353.26825	18.4
358.16296	10.2
366.95682	6.3
369.24216	10.3
387.25177	8.1
419.27988	9.0
461.28796	8.7
497.30685	6.7
515.23804	24.3
515.37140	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.5
55.05520	22.9
57.03433	10.7
57.07076	5.9
61.02931	4.5
61.41976	4.2
65.03934	3.9
67.05513	100.0
69.07072	14.8
71.04990	6.4
71.57987	8.1
79.05506	68.4
80.06176	4.2
81.03422	5.7
81.06583	4.7
81.07063	98.2
81.84620	3.9
82.96879	3.7
83.08635	8.0
85.02911	9.7
91.05489	45.5
93.07058	78.2
95.04947	7.0
95.08615	83.8
97.02872	7.4
97.06548	7.1
97.10172	6.7
105.07047	43.8
107.08595	42.6
109.06550	4.5
109.10184	40.4
111.08101	6.0
117.07027	13.3
119.08588	23.1
121.10162	43.4
123.08020	5.4
123.11724	19.1
127.03963	4.2
129.06967	5.4
130.39354	3.9
131.08595	26.4
133.10153	23.6
135.11710	28.3
137.13235	5.9
143.08615	4.1
145.10178	21.3
146.92906	4.0
147.11711	17.4
149.13246	13.9
159.11716	19.4
161.13303	11.3
163.14891	13.2
173.13293	16.1
175.14879	4.9
187.14813	10.7
199.14746	4.1
203.07002	11.6
219.17471	5.1
233.22551	5.1
243.21152	20.6
261.22168	65.5
285.22281	5.9
285.92175	4.0
335.25842	25.4
353.26962	11.6
497.30795	6.3
505.43787	4.8
515.24457	6.6
515.36804	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	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.0
55.05507	19.1
57.03434	7.2
57.07069	4.0
57.37883	3.6
60.91337	3.4
61.02924	5.6
65.03915	4.1
67.05174	5.5
67.05508	82.1
69.03418	8.8
69.07053	14.3
71.04984	4.5
71.56240	4.8
79.05499	60.5
81.03408	10.2
81.07063	100.0
83.08620	9.6
85.02923	8.2
85.06568	5.2
91.05486	40.0
93.07052	71.8
95.04974	10.5
95.08612	69.5
97.02869	4.2
97.06508	10.3
97.10160	3.8
99.08076	6.0
105.07035	32.9
107.08605	46.4
109.06522	7.9
109.10155	31.4
117.07013	18.9
119.08576	25.3
121.06510	5.1
121.10159	34.8
123.08029	4.3
123.11699	18.5
125.09697	3.9
129.07028	6.0
131.08574	33.7
133.10127	26.9
135.11679	28.4
137.09584	4.8
137.13165	4.0
143.08569	9.3
145.10138	24.3
147.11693	15.3
149.09686	3.9
149.13263	20.0
157.10220	3.8
159.11655	18.5
161.13264	11.7
163.14859	11.7
171.11681	3.9
173.13240	14.9
175.07549	3.7
175.14793	3.7
187.14806	10.9
191.14355	4.9
201.16476	3.7
203.07088	7.6
219.17374	5.9
243.21130	22.0
261.22165	76.6
273.22522	4.8
289.76270	3.9
295.05936	7.5
295.09607	4.1
303.23257	6.8
335.25668	11.4
353.26816	12.0
369.24344	4.7
385.68640	3.7
419.27792	4.4
433.12570	4.2
497.30630	3.6
515.16870	4.1
515.23688	12.7
515.37390	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36704	6.5
55.05504	33.7
57.03417	15.0
61.02932	7.2
67.05507	93.4
69.03414	8.9
69.07066	21.6
71.28690	12.5
73.02917	8.8
79.05496	60.6
81.03400	7.9
81.07059	100.0
83.04971	13.9
83.08603	20.1
91.05485	45.3
93.07066	66.6
95.04948	14.0
95.08615	72.6
97.06519	8.2
105.06390	7.6
105.07021	39.1
107.08614	35.5
109.10151	27.2
117.07006	16.9
119.08568	27.2
121.10165	43.3
123.11668	20.8
131.08569	23.5
133.10120	24.8
135.08086	11.1
135.11716	14.8
139.11169	9.5
143.08571	8.9
145.10120	23.5
147.11659	19.2
149.13252	23.5
151.03943	7.2
159.11685	23.3
161.13190	15.9
166.34555	7.2
171.11763	8.7
173.13284	18.8
175.03923	10.3
175.31265	6.8
197.13535	7.1
243.21077	14.6
259.09616	7.8
261.22205	39.7
279.06412	7.2
280.15942	7.1
301.21628	7.6
303.23215	10.3
315.64496	8.2
335.25754	16.2
345.24344	13.8
353.26764	8.2
369.24387	8.4
419.28189	8.6
461.28778	7.9
497.30988	8.8
515.25500	53.6
515.37109	8.7
530.29877	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26058	2.2
53.03949	2.8
55.05496	3.8
57.03420	3.8
61.02905	2.4
67.05488	4.5
69.03432	62.7
69.07057	6.7
70.91460	4.9
70.91824	3.7
71.04984	5.7
73.02901	2.7
74.24471	2.2
79.05486	6.9
81.03441	13.3
81.07045	9.5
83.04960	6.3
85.02908	41.9
85.03371	4.9
85.06536	9.5
91.05486	8.6
93.07051	8.1
95.05010	3.9
95.08626	12.8
97.02898	17.1
97.06533	5.3
98.97575	2.6
99.04459	27.1
103.03946	50.8
105.07056	9.2
107.08595	19.0
109.02870	12.3
109.06513	7.1
109.10152	7.3
111.08089	6.5
119.08565	7.3
121.06573	2.8
121.10126	14.6
123.08065	4.0
123.11729	9.0
125.09643	25.7
127.03917	59.0
131.08572	9.8
133.10136	10.6
135.08086	12.8
135.11653	5.5
143.08626	2.6
145.04965	28.1
145.10110	4.7
147.11723	4.5
147.12962	2.1
149.09605	10.3
149.13220	6.4
153.09111	9.1
158.10863	5.1
163.06049	17.2
163.11131	5.2
163.14830	6.4
165.12772	6.5
173.13286	21.7
173.25906	3.0
176.11940	2.8
177.05576	2.6
187.06108	3.9
191.14311	100.0
205.07048	3.7
209.15375	95.5
249.18536	8.7
267.72562	2.2
271.08221	3.6
317.08426	5.3
320.10529	2.4
347.09470	5.6
383.51971	2.2
515.20544	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.05513	6.4
57.03439	5.0
67.05499	14.2
68.06738	2.5
69.03440	24.6
69.07056	8.8
70.06581	11.3
71.04999	17.8
71.08564	7.1
72.08153	4.5
73.02936	3.4
78.66212	2.9
79.05499	9.8
81.03413	24.2
81.07063	9.3
82.06551	4.3
83.04980	8.3
83.08631	11.0
85.02422	4.6
85.02906	65.0
85.06547	10.4
86.09711	14.7
91.05478	11.1
93.07050	14.0
95.04961	59.9
95.08615	18.0
97.02898	27.9
97.06534	21.0
98.97578	3.6
99.04462	46.1
103.03941	69.2
103.05457	3.4
105.07024	20.5
107.08614	16.3
109.02861	17.2
109.06487	16.0
109.10163	47.7
111.08070	4.5
115.05500	3.5
117.07001	4.9
119.08607	11.1
121.06471	3.3
121.10167	16.5
123.08070	7.4
125.09662	3.7
127.03923	96.7
131.08551	21.2
133.10132	57.0
135.08046	24.8
143.08545	6.3
145.02827	3.2
145.04961	47.3
145.10123	11.2
147.11641	8.3
149.09607	8.3
149.13257	4.7
153.09038	10.5
153.10213	3.0
158.10948	4.3
163.06032	17.5
173.13278	49.6
177.05499	5.5
187.06026	8.0
189.12703	3.5
191.14320	100.0
191.16052	6.1
205.07062	4.2
209.15352	47.6
249.14725	7.2
267.15814	6.8
289.09045	4.0
411.20053	3.7
453.20892	7.3
471.22464	15.3
497.20029	11.8
515.21100	62.7
515.28387	3.4
533.30542	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	515.2435
Annotation	Telmisartan
Peak:m/z	Relative Intensity
53.03951	1.7
55.05503	2.0
67.05503	3.1
68.99785	1.3
69.07072	2.2
70.14027	5.0
79.05496	5.9
79.07166	1.0
80.60856	1.0
81.07057	7.4
91.05479	10.5
93.07050	11.9
95.04976	1.8
95.08626	1.9
105.07030	8.2
107.04971	2.5
107.08601	8.2
109.06540	1.7
109.10188	1.8
115.05504	1.5
116.16607	0.9
117.07023	3.9
119.04964	1.7
119.08586	7.5
121.06515	1.3
121.10138	1.2
129.07016	2.0
131.08594	2.4
133.06517	2.0
133.10156	1.5
133.21049	1.1
135.04413	4.5
135.08012	1.8
135.11707	3.8
141.06996	1.5
143.08549	2.9
145.06439	1.9
145.10031	1.5
147.04395	4.6
147.08067	9.0
151.03934	3.4
155.08644	1.4
159.04381	1.1
159.08061	1.9
161.06062	2.2
161.09601	2.2
163.03894	4.9
165.05650	1.1
165.07062	1.6
167.08636	1.7
171.08034	2.5
173.05998	1.2
175.07558	2.3
175.11205	2.0
177.05499	1.5
178.07716	2.2
179.08586	2.0
179.10652	1.4
181.10133	1.5
185.06021	1.5
185.09665	1.2
189.05421	1.2
189.07375	2.0
189.09111	35.9
193.10179	2.7
195.08118	1.9
201.09035	2.5
203.06937	7.1
203.10556	1.6
204.07338	1.4
207.08211	1.8
207.10179	3.4
207.11864	1.3
208.08784	2.4
209.09531	1.7
211.07573	1.5
213.09145	3.8
215.08594	1.2
215.10521	1.4
219.11646	1.3
221.09677	5.6
223.07602	1.3
225.09076	2.1
227.07195	1.5
227.10617	2.2
230.10869	2.3
233.09705	1.2
235.07619	1.6
235.11208	1.7
237.09203	2.3
239.10693	2.5
241.08652	3.0
243.10123	1.9
245.13168	2.1
248.08383	2.4
248.11981	2.2
249.09100	4.9
251.10670	1.5
258.10300	2.0
259.11215	2.0
261.09012	2.2
261.12646	1.9
262.09869	1.9
263.10657	1.7
263.14456	2.4
273.12854	8.3
275.10782	3.3
277.12204	5.9
278.25327	1.1
279.06308	2.8
279.13834	2.1
289.08655	1.7
289.12097	2.3
291.10669	2.0
291.13791	23.3
293.15176	1.7
295.13242	1.3
298.56125	1.2
303.10297	1.4
303.13809	1.9
305.11627	1.9
305.15237	2.1
317.11734	1.2
319.06018	1.3
319.09543	1.6
331.09671	4.0
333.11258	1.8
345.11307	1.3
349.10623	2.5
355.13287	2.0
363.12521	2.4
365.11432	1.5
369.15143	1.6
385.14188	1.5
397.14590	1.7
401.13644	2.5
429.16837	2.0
431.17700	2.0
437.21008	1.5
465.20581	7.1
469.23785	2.2
485.08621	1.2
497.23309	64.1
498.23251	1.4
515.24890	100.0
515.35669	5.5
516.24414	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	515.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01876	1.2
55.04750	0.7
55.05489	2.4
61.24778	0.7
67.05231	0.8
67.05508	7.7
69.03414	1.7
69.07050	2.8
69.27438	1.1
69.27831	7.0
73.06560	6.3
77.03896	0.8
79.05477	2.9
81.03394	2.3
81.07053	4.4
83.04956	1.0
91.05484	4.9
93.03389	1.2
93.07018	2.7
95.01292	1.4
95.04966	8.5
95.08605	1.1
99.04470	1.6
103.05495	1.4
105.07043	5.3
107.04962	2.5
107.08618	3.6
109.02834	0.8
109.06499	2.2
109.10152	8.1
115.05441	2.2
117.07008	2.3
119.04956	1.0
119.08597	5.7
120.68844	0.7
121.02882	0.7
121.06497	1.3
121.10063	1.6
122.61047	0.7
123.04401	2.9
128.06197	2.8
129.06989	5.1
131.04897	1.3
131.08539	3.1
133.06493	1.5
133.10123	2.9
135.08023	0.9
135.11638	1.4
141.06996	4.5
142.07756	1.8
143.08562	7.0
144.05733	1.7
145.06474	2.5
145.10072	1.8
147.04434	1.9
147.08040	3.3
147.11693	7.2
149.02341	2.8
149.05948	1.7
149.09543	0.7
152.06155	0.7
153.06970	2.0
154.07802	3.5
154.35889	0.8
155.08557	4.7
156.09306	1.1
157.06511	2.0
157.10118	3.6
159.04430	1.7
159.08061	4.6
159.11694	3.3
160.05136	1.3
161.02370	6.1
161.06003	6.4
163.03905	2.0
163.07571	1.6
165.06972	2.4
166.07773	1.6
167.03352	1.0
167.08572	3.4
169.06442	2.2
169.07816	1.1
169.10103	3.3
170.07249	1.1
171.08061	7.2
171.11681	2.2
172.08640	0.9
173.06000	2.4
173.09601	1.3
173.13313	1.3
175.03923	1.4
175.07516	3.6
177.05490	1.6
178.07803	2.6
179.07208	0.7
179.08498	4.4
180.09360	2.0
181.06447	4.3
181.10017	1.5
182.07234	2.1
183.08080	4.3
185.05969	4.7
185.09554	2.0
185.13263	7.1
187.03914	4.6
187.07590	4.1
189.05460	2.3
189.09122	4.0
191.07036	2.6
193.10104	3.5
195.08014	6.0
195.11684	2.4
196.08844	1.8
197.05920	1.5
197.09604	4.2
199.07515	3.7
199.11264	1.4
200.04517	0.9
201.05479	1.3
201.09140	4.5
201.12697	1.0
203.07033	100.0
204.07744	1.2
205.08516	1.0
207.08058	1.2
208.08923	1.1
209.09607	1.8
209.13210	1.1
210.10306	0.7
211.07466	3.6
211.11185	2.0
213.09134	10.1
213.12730	1.6
214.09477	0.8
215.10677	3.1
217.08536	0.8
221.05995	0.9
221.09750	1.1
223.11162	1.9
224.08318	0.9
225.09119	6.7
226.09918	1.4
227.07048	2.3
227.10704	2.6
227.14355	3.1
229.08621	3.4
231.10168	3.4
235.14809	2.1
239.10670	2.9
240.11549	0.9
241.08589	3.1
241.12233	2.4
243.10167	27.4
244.10812	0.9
245.15308	1.3
251.10689	0.8
251.14270	0.9
253.08601	2.4
253.15892	14.1
255.13766	4.3
257.07971	1.5
259.09650	0.9
263.10892	0.8
263.14334	3.1
267.10208	0.9
269.08014	5.2
271.09628	0.8
273.14880	1.7
279.13693	1.5
281.15335	9.5
283.16895	1.0
285.18433	2.2
289.12381	1.2
295.09714	1.0
295.16898	2.4
297.11124	1.1
307.13297	3.1
313.18018	14.9
321.14868	1.2
323.09116	6.0
325.10736	1.4
339.15964	2.1
363.12408	1.6
375.12253	1.0
381.13824	1.2
383.12442	1.2
393.13388	1.0
397.14252	0.9
401.13455	0.9
415.15317	9.5
419.15421	1.2
429.16837	2.2
433.16501	9.2
437.21112	3.0
443.18536	1.7
445.16586	2.2
447.17932	6.4
455.22079	2.8
459.18341	1.2
465.20792	2.3
483.21631	13.0
485.23114	1.8
487.25214	1.1
497.23349	6.0
515.24298	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	515.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10219	0.5
53.03938	0.7
54.79349	0.5
55.01861	0.9
55.05492	1.3
67.05515	2.6
69.03412	1.1
69.07066	4.8
69.84530	2.4
73.06563	3.0
79.05479	1.8
81.03401	1.2
81.07037	2.0
91.05475	3.5
93.03372	1.2
93.07019	2.1
95.01327	0.8
95.04972	9.3
95.08615	1.0
98.31198	0.6
99.04424	2.0
103.05475	0.6
105.03393	0.5
105.07026	2.0
107.04937	1.2
107.08595	0.9
109.02865	0.7
109.06511	1.3
115.05418	1.1
117.07002	1.9
119.04929	1.7
119.08563	2.2
121.02856	0.7
121.06511	0.8
121.10130	0.6
123.04460	0.6
128.06215	1.5
129.07004	3.5
131.04939	0.7
131.08618	2.5
133.02777	1.5
133.06471	1.3
133.10075	1.1
135.04399	0.9
135.08046	1.1
135.11694	0.7
141.06982	2.4
142.07779	0.7
143.08553	1.6
144.05684	1.2
145.06494	2.3
145.10133	1.1
147.04384	1.6
147.08052	3.6
149.02313	2.2
149.06018	1.0
151.03853	0.7
152.06177	1.2
153.05708	0.5
153.06987	2.0
154.07765	1.3
155.08585	2.9
157.06467	1.8
157.10147	1.4
158.07339	0.7
159.04355	0.8
159.08028	3.3
159.11668	1.5
160.05125	1.4
161.02376	6.8
161.05995	5.4
161.09706	0.6
163.03845	1.5
163.07547	0.8
165.06969	1.4
167.03410	1.0
167.08571	2.3
169.06479	1.5
169.10127	1.9
171.08011	3.0
171.11658	1.7
173.05980	1.9
173.09579	1.0
173.13298	1.2
175.03894	1.1
175.07561	2.5
177.05455	1.3
177.09113	0.8
179.08446	1.0
181.06461	7.9
181.07922	0.8
181.10065	1.1
182.07288	1.6
183.08087	3.3
184.08852	0.8
185.06004	4.9
185.09607	2.4
185.13214	0.8
187.03958	3.5
187.07561	10.3
187.11089	0.6
188.08315	0.8
189.05504	1.6
189.09142	3.4
191.07025	2.2
194.07382	0.8
195.08064	4.4
195.11725	1.1
196.08856	1.5
197.06001	0.9
197.09677	3.1
198.06804	1.4
199.07516	3.5
201.05429	1.1
201.09090	2.6
203.07031	100.0
203.14311	2.2
204.07651	2.0
205.04988	0.6
205.10138	0.8
207.08078	1.2
208.08859	1.2
209.09534	1.0
210.06781	0.7
210.10429	0.5
211.07541	4.4
211.10950	0.7
212.08221	1.7
212.12004	1.8
213.09087	5.6
213.12621	1.1
215.10733	0.6
217.12212	1.1
219.08086	0.6
220.08920	0.6
221.09583	1.0
223.07579	1.1
223.11142	1.8
224.08275	0.7
225.05495	0.8
225.09087	5.9
225.12595	0.9
226.06229	0.6
226.09906	1.5
227.07048	2.4
227.10655	1.3
227.14293	6.6
229.08600	5.5
235.14851	0.7
237.09058	1.1
237.12738	0.6
239.07002	1.2
239.10684	1.2
239.14407	0.8
241.08617	2.3
241.12234	1.8
243.07709	0.9
243.10156	15.2
244.10744	0.7
245.15413	0.8
247.13345	0.6
249.09116	0.6
249.12747	0.6
251.07040	2.0
251.10654	0.8
251.14264	1.5
253.08604	1.5
253.12198	0.7
253.15819	4.2
255.06526	1.0
255.13824	3.8
257.08145	1.4
259.09772	1.8
261.09131	0.6
263.14319	3.8
264.15103	4.1
265.08493	0.9
266.09351	1.3
267.10208	2.6
269.08008	3.6
271.09659	1.1
271.13266	1.3
273.14999	0.8
279.13916	0.7
281.15359	12.3
285.18530	0.9
293.15494	0.7
294.08862	0.9
295.09946	0.7
295.17004	2.2
297.11243	5.8
299.09146	0.5
307.13312	2.7
311.09213	2.2
313.17996	9.0
321.14883	2.3
323.09070	4.0
325.10733	12.5
337.11887	0.6
339.15945	2.4
341.11621	0.6
355.13486	0.8
367.13461	1.2
368.14691	0.6
369.15094	1.2
375.12512	0.7
383.12738	1.7
385.14560	1.3
393.13919	0.9
395.12860	1.2
397.14420	1.1
399.16098	1.2
401.13651	1.1
409.14572	0.6
413.13809	1.2
414.14783	0.6
415.15262	6.1
415.19537	0.5
419.14795	1.8
427.15298	1.2
428.16037	1.2
429.16965	1.9
433.16431	0.8
437.21451	1.0
443.18530	1.0
445.16403	2.4
447.18231	5.4
455.22632	2.4
459.17905	1.1
465.20627	2.3
469.23932	1.2
473.19687	0.9
483.21753	9.2
485.23099	1.5
487.24518	0.8
497.23355	4.5
515.24286	29.6
516.24500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.8
53.03907	0.7
54.60826	0.6
63.82653	0.7
69.03381	0.6
69.07055	1.5
70.72158	2.1
78.60983	0.7
79.05483	1.2
81.03417	1.1
81.07058	1.1
83.01335	0.9
85.02887	2.2
91.05457	4.6
93.07041	5.9
95.04921	1.2
98.20861	0.8
103.05431	0.8
105.07011	2.5
106.04150	0.9
107.08558	3.3
107.37189	0.7
109.06509	1.8
115.05453	1.1
117.07002	2.1
119.04921	2.3
119.08562	1.1
121.02837	2.3
121.06502	6.0
125.05994	0.9
129.06979	2.4
131.08527	2.4
132.11343	0.7
135.08028	0.9
135.11650	2.8
142.07761	0.9
145.06467	1.4
147.04395	4.8
147.08055	2.1
147.98499	0.8
148.05162	3.6
149.02324	0.9
149.05971	7.1
153.06981	1.0
155.08554	1.6
157.06491	1.2
157.10121	1.3
159.08040	2.3
161.02362	5.1
161.05969	2.2
161.09610	0.9
163.03957	0.9
167.08553	0.9
167.24382	0.7
169.06454	0.8
169.10077	1.9
171.08008	1.3
175.03917	1.7
175.07588	2.2
177.05472	55.4
177.08939	3.4
179.07085	1.1
179.08588	1.9
182.07323	0.8
183.08173	1.4
185.05937	2.9
185.09618	2.2
187.03848	1.0
187.07626	1.1
187.11206	1.5
188.01001	0.8
189.09068	1.7
191.07004	0.9
191.10684	2.4
195.08083	2.8
195.11601	1.3
197.09668	1.3
198.06824	1.1
199.07472	2.1
201.09134	1.1
203.03430	12.1
203.07033	100.0
204.04156	1.4
204.07324	1.3
205.04921	1.0
207.08087	0.9
213.09113	3.5
215.10570	0.8
217.04965	1.0
217.12219	2.0
223.07571	2.5
223.11166	1.1
225.09109	1.7
226.06302	0.8
227.06909	0.8
227.10770	1.5
227.14293	2.0
229.08710	1.0
229.12358	0.9
229.15926	2.0
239.06941	0.8
241.08597	7.7
243.10143	5.5
245.11757	3.1
245.15373	2.3
247.16936	1.4
251.07054	0.8
253.16066	0.7
255.13850	5.8
257.08115	2.3
257.11853	0.9
257.15417	1.0
269.08087	22.3
271.09683	2.0
273.14954	3.3
281.15359	2.0
287.09103	1.6
293.15201	0.8
295.16949	2.6
301.08408	1.0
311.16495	1.0
313.17987	12.5
319.09805	1.1
321.14880	1.4
323.09036	0.8
323.12659	0.8
333.11288	1.2
339.15851	4.6
347.09015	0.8
351.12378	3.7
379.11774	58.7
447.18091	7.6
457.19922	2.2
465.20367	1.1
479.21991	1.6
483.21881	2.4
497.23346	6.2
515.24292	62.0
516.24451	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03230	2.0
67.05498	2.5
69.07082	17.2
70.71581	5.3
73.06561	14.7
79.05469	3.9
81.07062	5.3
91.05476	5.4
93.07043	4.1
103.05457	2.4
110.84853	2.3
115.05452	3.4
119.04932	3.4
119.08593	2.8
129.07028	5.2
135.04384	2.1
141.69514	2.1
143.08607	3.6
144.05722	4.0
145.06441	4.5
147.08032	6.0
149.02367	2.5
152.06244	4.8
153.07031	6.4
155.08569	10.5
157.06522	4.7
159.08080	23.5
161.02357	6.2
161.05983	9.2
163.03937	2.8
165.07062	2.8
167.08656	5.3
168.90305	2.5
169.06505	5.7
171.08070	5.4
173.06020	6.0
175.07564	6.4
177.05441	12.0
180.09361	2.7
181.06537	3.3
182.07309	2.8
183.08070	15.5
185.05994	7.5
185.09665	4.2
187.03931	16.2
187.07550	25.0
188.08362	6.1
189.05457	4.2
189.09094	10.9
191.07031	8.2
195.08054	24.0
196.08775	11.6
197.09639	9.3
198.06726	4.7
199.07523	7.7
201.09093	6.5
203.07050	100.0
204.07813	3.8
210.06836	4.0
211.07492	12.6
213.09102	21.4
215.10718	4.3
221.06091	5.2
223.07445	4.0
223.11133	3.7
225.09142	23.9
225.13063	2.5
226.06204	3.1
226.09871	9.5
227.07047	12.8
227.10646	6.9
227.14334	8.8
229.08632	18.0
239.10655	2.5
239.14352	2.6
241.08575	9.4
241.12279	3.4
243.10176	29.4
244.10936	4.2
253.08565	11.3
255.13846	13.0
259.09738	5.4
269.07980	17.0
271.09634	4.9
281.15292	2.9
313.17969	18.3
321.14963	3.1
326.37747	2.6
337.12531	2.7
339.15973	4.4
355.13217	3.9
381.11319	3.6
382.12131	2.5
383.12622	3.6
385.14389	4.4
397.14279	8.7
415.15475	73.0
419.14792	4.7
429.16949	14.3
445.16318	9.8
447.18051	47.6
454.19534	2.6
459.18118	2.9
483.21494	6.4
485.22696	3.3
497.23190	9.0
510.86090	2.2
515.24316	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.05476	2.0
57.03409	3.1
67.05515	3.5
69.03428	9.1
69.07044	2.5
70.06605	2.2
73.02904	2.9
75.03889	2.0
79.05490	4.2
81.03427	10.2
81.07066	4.6
82.06583	2.9
83.04983	4.6
85.02903	19.5
85.06528	3.0
86.09700	4.1
91.05494	5.1
93.07040	7.8
95.04974	4.6
95.08624	6.0
97.02905	7.8
97.06577	2.9
99.04466	12.6
103.03939	14.7
105.07036	7.9
107.08605	8.0
109.02908	9.6
117.07008	2.4
119.08593	7.2
121.06472	9.6
121.10149	3.7
123.08097	2.8
127.03930	26.6
128.50441	1.8
131.08589	10.1
133.10115	13.5
135.08087	8.1
135.11720	2.2
145.04985	9.4
145.10179	4.5
147.11725	2.6
147.23837	2.2
149.09624	2.8
151.11209	3.0
155.31503	2.2
158.10913	2.5
159.08087	2.5
159.11739	6.0
161.09708	2.2
163.06082	4.8
163.07574	4.2
163.11160	2.8
171.11775	2.3
173.09575	4.0
173.13266	28.0
175.14828	2.7
186.10507	3.4
187.11177	12.4
191.07030	18.3
191.14320	12.0
201.12747	12.6
205.12248	5.3
209.15358	3.6
219.13899	2.3
229.12231	19.4
247.13287	32.2
249.14545	9.3
249.18535	3.5
267.15762	13.0
271.07941	2.1
286.17587	3.5
295.15048	3.9
321.17062	17.4
411.20026	8.7
429.21060	21.8
433.34183	2.0
453.21021	18.6
471.22116	38.7
483.01663	2.3
497.19815	42.0
497.36145	2.5
515.21088	100.0
515.27539	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	515.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55743	0.4
69.03415	0.5
69.07066	0.6
69.27217	1.8
69.27641	2.1
70.06575	1.2
71.72223	0.5
84.08145	0.7
85.02897	1.3
86.09695	0.5
87.70892	0.4
91.05466	0.6
92.83219	0.5
92.83862	0.4
95.05027	0.6
95.08618	0.7
98.20703	0.4
98.97580	0.5
101.00899	0.7
109.02888	0.6
109.40278	0.4
119.08560	0.7
127.03886	0.8
143.01921	1.4
157.03516	0.9
161.09779	0.4
175.04556	0.5
227.05220	0.8
241.20982	0.5
245.06592	0.7
267.15747	2.1
271.04315	0.9
289.05396	1.6
291.14340	2.2
309.15790	1.4
311.05579	0.9
351.16229	0.6
365.06543	0.6
395.07581	0.8
411.19858	1.0
413.08420	0.6
429.20905	3.8
453.20947	1.7
471.22015	16.6
497.19971	4.2
515.21039	100.0
516.21320	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	515.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24081	1.0
55.05519	1.5
67.05521	1.0
69.03420	2.2
69.53847	1.6
69.54258	5.2
70.06609	1.9
72.08147	1.6
81.03389	2.3
83.08620	1.3
84.08147	1.5
85.02911	4.0
95.04936	1.4
95.08626	1.3
97.02918	2.0
98.21490	2.1
98.97591	1.5
99.04460	1.9
100.11272	4.3
103.03992	1.1
105.07037	1.7
109.02875	2.3
109.10177	1.6
111.97890	1.6
116.96796	0.9
119.08581	1.6
127.03944	4.5
133.10138	1.8
145.04933	1.7
148.04619	1.0
163.11223	2.5
177.05513	1.2
182.15393	1.7
205.73418	1.0
207.06702	1.3
210.15042	1.2
227.05374	1.7
245.06467	1.5
249.14771	2.4
267.15784	3.7
271.04230	1.3
289.05371	2.4
411.19785	5.5
429.21222	6.8
453.21130	12.1
471.22101	17.6
497.20001	100.0
498.20398	2.8
510.81659	1.0
513.27655	1.1
515.12476	2.2
515.21082	57.8
515.37695	8.7
515.44983	1.7
516.21875	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97864	1.3
56.96556	5.5
71.43919	1.1
71.51833	1.9
81.07034	1.5
84.96039	1.8
85.02940	2.1
86.67986	1.3
93.07045	1.9
95.04947	1.3
96.38970	1.2
98.97596	23.0
99.04432	1.9
99.08036	1.6
102.06189	1.3
103.03999	1.3
105.07032	1.6
109.10205	1.6
110.97603	6.5
112.99162	1.9
116.98611	4.3
117.56565	1.2
123.08073	1.4
127.03927	1.5
128.98615	3.4
131.00195	1.4
131.74948	1.2
133.10141	6.2
140.98643	1.3
143.00110	1.4
146.99638	1.7
158.99710	4.8
177.00688	1.7
178.80920	1.2
193.15939	1.3
195.62126	1.2
197.08519	1.4
201.00706	2.9
219.01759	10.3
223.09961	1.8
237.02884	8.9
241.11185	3.8
261.37839	1.3
267.12946	1.3
267.15735	1.3
278.74225	1.2
285.08728	2.3
285.13736	2.5
291.12662	3.3
295.07132	2.9
295.12149	1.9
303.14816	5.4
309.13858	6.5
313.13443	1.6
327.14825	6.4
345.16202	1.9
369.15988	2.3
372.11914	8.4
400.11548	5.5
429.17981	39.0
447.19128	21.0
471.19016	40.9
489.19995	4.5
515.18945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1903
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
51.91521	1.1
56.96570	3.5
69.03416	2.3
69.49619	1.3
69.95072	4.1
69.95473	2.1
81.03413	1.4
81.07040	1.5
83.04953	1.2
84.96035	1.3
85.02898	3.1
87.09991	1.2
90.94892	1.3
93.07056	1.6
98.97594	16.2
110.97575	4.3
112.99109	1.6
116.98652	3.6
127.03923	2.6
128.98645	2.4
131.08586	1.9
133.10138	6.4
135.55464	1.2
140.98581	1.6
143.00267	1.3
144.98051	1.5
145.10219	1.7
158.07523	1.3
158.99712	2.6
169.44872	1.4
173.13246	2.3
187.11121	1.2
191.14307	2.5
201.00757	1.7
207.14876	1.3
216.85655	1.3
219.01781	7.3
237.02818	6.5
285.13892	2.0
291.12595	2.9
295.07196	2.5
303.14957	3.5
309.13712	3.1
312.09836	1.8
313.08124	2.3
327.14905	4.7
372.11826	7.4
396.02078	1.5
400.11569	3.6
429.17987	29.6
438.03284	1.4
447.19016	12.5
471.19034	29.4
489.19699	2.5
515.18927	100.0
516.19751	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
53.05861	4.1
55.01876	4.3
55.05502	7.2
57.03434	6.9
67.05499	15.8
67.69865	3.7
69.03436	4.9
69.40836	31.4
70.06588	6.3
74.29635	4.0
79.05502	11.6
79.77090	3.8
81.02974	7.4
81.03425	100.0
81.07059	13.9
83.04990	5.0
83.08643	24.8
85.02905	9.3
86.09722	8.7
91.05471	16.9
92.71720	3.7
93.07026	11.0
94.84446	4.3
95.04959	31.5
95.08593	14.7
97.02913	6.5
98.21655	3.6
99.62572	3.8
103.03928	7.4
105.07029	12.1
107.04946	6.4
107.08647	5.8
109.02878	5.5
109.06538	10.1
109.10159	6.7
111.08075	14.2
119.08581	15.5
121.10135	7.1
127.03930	9.0
129.06966	8.8
131.08580	10.6
133.06537	5.2
133.10158	10.3
144.06580	5.5
145.04964	4.2
147.11688	8.0
149.09657	5.5
157.10133	12.7
164.10646	9.4
166.09715	3.9
173.09615	4.2
175.11171	14.5
187.11252	5.7
191.07021	6.9
192.10222	14.3
193.12265	76.7
201.12732	6.5
211.13303	8.8
225.10213	4.6
229.12157	5.2
247.13338	12.1
249.14729	6.4
267.11502	9.7
267.15964	54.1
285.16986	87.6
298.39120	3.9
309.16818	13.3
313.11993	22.8
323.12543	21.7
341.11441	8.2
353.14114	5.0
373.14017	47.7
411.20044	9.2
420.97006	4.3
429.21005	17.3
453.21204	9.6
471.22055	12.6
497.19806	20.4
514.19989	8.9
515.21136	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34318	2.2
53.03938	4.0
55.05501	4.8
58.81828	2.4
60.12364	2.3
67.05518	4.7
70.12377	9.8
75.26713	2.4
79.05500	6.5
81.03419	92.4
81.07056	9.1
83.04990	4.6
83.08625	24.7
85.02901	3.1
91.05468	12.8
92.85109	2.2
93.07043	7.2
95.04974	27.6
97.02872	3.9
98.20715	2.4
105.07047	9.1
107.04958	6.7
111.04446	3.9
111.08069	11.1
119.08598	8.0
121.06475	2.4
121.10157	5.2
129.07011	6.6
131.08580	6.0
133.06526	3.3
133.10110	3.7
147.08057	3.7
147.11667	8.3
149.09628	4.0
157.10129	13.2
175.11200	17.0
193.12242	84.6
211.13329	5.9
235.13385	3.3
267.15939	47.2
285.16983	100.0
289.85913	2.4
290.23309	2.3
309.16910	7.5
375.18115	2.3
514.19482	3.4
515.20844	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	514.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
56.67488	1.2
57.03426	3.8
67.05505	14.3
68.35677	1.1
69.03449	9.6
70.06585	4.4
70.72449	1.7
70.72781	2.5
72.08157	3.0
73.02905	3.5
77.73933	1.1
79.05506	14.9
81.03416	2.3
81.07072	10.8
83.04986	4.2
84.08106	1.3
85.02912	7.6
86.09738	1.9
87.04465	7.8
91.05488	1.8
96.08081	1.3
97.02893	7.2
99.04485	1.8
107.04887	1.3
107.08604	30.3
109.10171	9.8
111.04452	9.8
115.03922	5.6
117.07006	2.1
119.08639	1.2
124.07658	1.5
125.09668	6.8
126.09161	2.0
127.03941	2.3
133.04965	5.1
135.08087	6.4
137.05948	1.9
151.07603	1.5
153.09125	40.5
171.10176	100.0
171.94304	1.3
177.05550	1.4
203.12798	43.9
309.03528	1.2
310.26907	1.3
432.61200	1.6
514.16095	24.2
514.22675	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.05508	10.3
56.96575	6.1
61.02926	11.8
67.05516	35.0
69.03436	8.3
69.07059	11.0
71.04978	5.3
73.02907	6.3
79.05502	31.5
80.85080	3.5
81.03403	9.0
81.07058	36.6
83.08610	7.5
85.02893	16.8
91.03967	5.0
91.05497	37.6
93.07052	39.2
95.04956	5.6
95.08602	20.5
97.02896	9.9
97.86473	4.7
105.07036	35.7
107.08602	25.7
109.10143	11.0
111.08051	4.4
117.07014	14.5
119.08590	37.2
121.10144	16.0
123.08094	4.0
129.07025	11.8
131.08557	23.2
133.10136	30.9
135.11685	18.9
143.08551	10.6
145.10127	16.7
147.11699	25.4
149.09587	4.7
149.13232	10.1
155.08629	3.6
157.10168	7.7
158.27760	3.4
159.11652	13.9
159.86807	3.4
161.12086	3.5
161.13254	21.8
171.11664	10.1
173.13277	12.2
175.14833	9.0
185.13300	10.7
187.14789	5.3
199.14816	7.8
229.14313	3.5
231.21063	5.7
241.19562	14.3
257.18951	4.7
259.20596	47.3
263.35568	3.5
301.21594	5.9
307.76801	3.6
316.22009	3.7
338.51523	4.1
349.23434	5.7
351.25302	71.2
362.04004	3.9
477.27252	6.1
495.28619	5.8
513.35651	100.0
514.35754	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45952	4.1
53.03945	8.6
55.01865	7.5
55.05515	27.1
57.03438	28.7
60.06670	4.0
61.02913	18.9
65.03925	7.4
67.05508	60.4
69.03442	27.8
69.07061	19.8
70.14952	21.0
71.04991	14.8
71.58534	4.3
73.02914	12.5
74.37697	4.4
79.05499	66.5
81.03424	24.3
81.07060	80.5
83.04957	5.4
83.08618	15.9
85.02898	30.8
85.06533	11.1
91.03946	4.9
91.05486	65.5
93.07052	82.0
95.04959	11.1
95.08616	57.6
97.02883	25.0
97.06516	9.5
97.10154	6.2
98.20768	5.3
99.04442	12.5
99.08074	5.8
105.07048	53.5
107.08603	53.1
109.06479	6.8
109.10159	18.2
111.04410	5.3
113.09677	6.3
117.07025	18.0
118.81520	5.2
119.08602	49.2
121.10133	47.3
123.08113	7.9
127.03915	10.5
129.05440	5.8
129.07005	11.8
131.08566	27.2
133.10149	28.0
135.07986	4.9
135.11687	38.9
143.08607	10.3
145.10103	28.7
147.11673	37.0
149.09592	6.1
149.13239	22.9
151.03822	8.9
157.10083	10.8
159.11697	17.6
161.13229	21.5
161.37178	4.3
162.18573	4.6
163.14853	7.2
171.11729	10.7
173.13251	20.2
175.14836	10.6
183.11670	5.9
185.13264	12.3
187.14801	7.1
189.12798	6.2
197.13380	5.4
231.21185	5.4
241.19562	22.4
259.20593	46.8
277.21695	28.9
313.10632	5.8
349.23831	4.9
351.25296	100.0
477.29111	5.3
482.18085	4.3
495.29379	7.8
513.36151	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	16.4
53.11631	4.7
55.01873	10.6
55.05517	38.0
57.03440	45.7
61.02919	23.8
65.03929	5.5
67.05171	6.7
67.05507	100.0
69.03432	31.8
69.07068	29.0
70.46163	17.6
71.01355	9.0
71.04994	30.6
73.02919	19.1
73.17525	4.4
79.05492	84.2
81.03422	33.5
81.07054	99.9
83.04978	12.9
83.08618	17.6
85.02904	37.3
85.06573	6.1
91.03957	11.4
91.05486	74.0
93.07045	99.3
95.04978	13.1
95.08609	83.1
97.02892	36.6
97.06541	14.4
97.10227	5.0
97.63081	4.1
99.04433	11.3
99.08106	8.1
101.02386	11.3
105.07025	67.4
107.08607	56.9
109.02884	6.0
109.06531	12.3
109.10141	34.7
111.04476	6.9
111.08094	7.7
117.06993	25.0
119.08583	56.1
121.10157	49.3
123.08071	8.5
123.11726	10.5
125.09632	5.9
127.03913	17.5
129.05467	9.6
129.07048	8.5
131.08582	37.8
133.10120	48.8
135.11705	37.4
137.09676	5.4
143.08560	10.5
145.10156	24.5
147.11676	34.3
149.09695	5.2
149.13264	20.8
157.10150	15.4
159.11687	30.8
161.09569	4.9
161.13278	20.2
171.11673	15.2
173.13275	15.1
175.14757	5.9
183.06418	5.1
183.11922	5.6
185.13248	9.2
187.14841	16.7
198.02647	5.1
199.14919	9.8
203.07117	9.0
205.15903	9.2
231.17522	5.3
241.19580	15.9
259.20605	46.0
261.22147	4.9
277.21631	52.6
293.21097	6.3
333.24191	9.1
351.25317	69.0
501.09119	5.5
513.36499	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.0
55.01869	6.6
55.05517	30.3
57.03184	4.5
57.03442	54.5
57.07055	3.1
57.51416	2.8
59.04978	3.8
61.02932	17.9
65.03929	4.7
67.05166	4.8
67.05511	74.4
67.19916	2.8
69.03432	36.1
69.07074	22.7
70.82100	6.1
70.82495	5.8
71.01359	5.2
71.05004	22.4
73.02913	7.9
79.05053	5.4
79.05498	85.4
81.03423	27.5
81.07062	100.0
83.04984	14.8
83.08617	11.5
85.02913	43.3
85.06543	6.4
91.03950	9.8
91.04950	5.4
91.05489	68.2
93.07050	87.3
95.04971	13.1
95.08048	5.3
95.08620	69.6
97.02912	34.3
97.06519	8.8
97.10172	8.2
99.04469	5.9
99.08119	5.1
101.02386	6.6
103.03940	7.2
105.07043	54.3
107.04964	4.3
107.08606	61.0
109.02874	12.9
109.06522	13.1
109.10170	33.3
111.04477	4.9
111.08103	5.6
113.09610	3.8
115.05488	3.0
117.07021	23.1
119.08607	44.5
121.10149	51.9
123.08050	8.1
123.11748	6.1
125.09604	7.7
127.03949	17.8
129.05492	5.7
129.06999	11.1
131.08588	35.7
133.06523	3.3
133.09221	4.2
133.10143	39.6
135.04370	4.6
135.08124	3.6
135.11717	35.9
137.05994	35.2
137.09618	3.5
138.06299	7.6
139.11211	4.8
143.08598	12.6
145.04930	7.2
145.10139	32.3
147.08051	4.5
147.11699	28.9
149.09602	6.3
149.13255	19.9
151.03932	9.6
151.11198	4.1
152.04395	3.8
153.77475	2.9
157.10112	9.0
159.11676	24.3
161.05951	9.4
161.13277	16.4
163.03900	4.7
163.11163	4.1
163.14841	6.5
165.12810	4.2
167.07014	8.7
170.91513	3.6
171.11714	13.1
173.13307	15.5
175.14827	11.3
177.05499	10.3
177.12769	5.4
185.13245	9.0
187.14810	13.3
191.07111	4.9
191.14296	5.8
192.07861	19.7
199.14883	6.7
201.16348	5.1
203.07039	4.8
205.15933	9.0
209.04698	7.4
213.16554	4.0
218.99664	11.9
220.00291	5.9
223.99930	7.2
231.21028	3.8
237.00725	17.4
238.01378	9.7
241.19542	11.9
259.20587	35.0
272.05240	6.7
272.55435	4.6
277.21637	39.8
281.05637	6.8
281.55807	12.3
285.07022	2.9
288.56519	3.4
289.07004	4.8
293.21014	4.7
301.21603	4.2
333.24353	5.8
343.11359	4.2
351.25293	53.0
362.09192	14.5
362.59293	38.9
363.09555	16.9
371.09695	17.7
371.59854	40.1
372.09961	12.8
377.88742	3.4
383.10605	4.3
495.29218	3.3
513.29810	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	513.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.0
55.01865	9.4
55.05523	18.8
57.03433	8.9
57.07069	2.2
58.06613	2.2
59.04999	2.3
60.11471	2.5
61.02916	4.6
67.05503	11.0
68.99771	2.5
69.03432	46.0
69.07070	18.7
70.06591	2.9
70.45179	5.7
71.04993	6.7
73.02911	7.6
79.05483	7.8
81.03426	33.5
81.07063	17.6
83.04990	20.4
83.08603	4.2
85.02911	68.0
85.06545	8.2
87.00835	28.1
87.04463	2.7
91.05499	12.3
93.07039	17.7
95.04974	33.4
95.08612	16.5
97.02903	25.1
97.06507	3.9
99.04443	14.3
101.06007	4.8
102.09174	3.4
103.03880	2.5
105.01896	19.1
105.07040	14.5
106.09949	2.0
107.04901	1.8
107.08604	22.3
109.02885	35.6
109.06514	16.6
109.10181	11.6
111.04432	3.3
111.08065	2.8
111.59578	2.0
117.01861	3.0
117.06981	5.9
119.04968	4.5
119.08582	19.0
121.06511	6.8
121.10179	14.9
123.08075	3.6
123.11700	6.9
127.03920	53.2
128.60574	2.3
129.01854	3.1
131.08545	11.4
133.06506	2.4
133.10101	8.2
135.08066	16.6
135.11729	11.7
137.05960	3.3
137.09619	4.7
143.08583	5.8
145.04962	16.9
145.10135	17.7
146.08118	2.3
147.02867	3.4
147.11694	15.6
149.09662	10.0
149.13272	2.8
151.07539	3.8
157.10150	4.2
159.02890	17.3
159.08038	6.5
159.11717	5.5
161.09622	7.3
161.13274	6.7
163.07468	2.7
163.11183	16.7
163.14827	4.6
165.12769	58.8
171.11722	8.4
173.09648	2.9
174.45975	2.1
177.09158	13.6
177.10434	2.1
177.12654	3.5
185.13300	2.6
187.11336	2.8
187.14847	8.4
189.12691	12.2
191.10680	10.2
196.12573	2.3
201.16457	2.6
203.14320	2.3
205.15923	17.1
226.05119	2.8
229.15863	11.7
231.05043	13.5
231.06952	2.3
247.16956	100.0
253.86549	2.2
265.13992	3.5
265.17987	87.2
481.15912	3.0
495.22101	5.7
513.18726	10.7
513.25531	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	513.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35712	1.8
53.03954	9.4
55.01866	7.1
55.05514	17.3
56.96546	2.8
57.03439	4.9
58.06590	2.2
61.02933	4.8
67.05492	8.3
68.99792	4.3
69.03432	40.9
69.07068	15.0
70.06575	2.0
71.04977	6.8
71.57890	2.5
73.02931	9.4
79.05498	8.1
81.02974	3.6
81.03421	40.5
81.07067	20.8
82.31790	2.1
83.04986	20.6
83.08624	2.7
85.02909	70.3
85.06542	3.8
86.68530	2.1
87.00831	24.6
88.02132	2.3
91.05482	11.3
93.07047	17.8
95.04971	35.2
95.08601	17.8
97.02892	26.2
97.06536	3.9
98.97578	2.4
99.04449	14.5
101.06009	6.3
102.09196	3.2
105.01846	17.0
105.07046	20.3
107.08585	20.7
109.02885	35.6
109.06503	17.4
109.10159	15.2
111.04425	4.2
115.03961	1.9
117.01879	4.6
117.07053	3.9
119.04975	4.8
119.08585	16.9
121.06525	6.9
121.10134	11.6
123.08057	5.3
123.11718	8.1
125.06017	3.3
125.09629	3.1
126.29765	2.0
127.03928	56.1
129.01839	3.8
129.07091	2.1
130.07832	2.2
131.08571	13.4
133.06508	2.8
133.10126	9.2
135.08072	16.6
135.11699	20.3
137.05943	2.3
137.09583	3.6
139.07600	2.9
143.08649	3.5
145.04956	18.1
145.10135	14.2
146.08159	3.0
147.04385	2.5
147.08080	3.1
147.11679	12.4
149.09657	10.0
151.07555	3.6
159.02905	19.0
159.08076	8.1
159.11717	8.0
161.09645	7.7
161.13254	6.2
163.07631	2.9
163.11218	14.3
165.12766	63.1
171.11632	6.7
171.28133	2.2
173.09650	5.3
173.13220	2.1
175.14812	3.6
177.09117	16.7
177.12729	3.5
183.11642	2.3
185.13239	2.0
187.11261	2.6
187.14828	7.7
189.12761	14.4
191.10756	9.4
201.16376	4.6
203.14383	2.5
205.15884	18.4
213.03893	2.8
217.15921	3.0
219.17439	3.9
229.15976	9.3
231.04979	14.2
231.73752	2.3
247.16943	100.0
248.17374	2.6
265.14182	4.8
265.14761	4.4
265.17990	86.6
266.18170	3.2
405.34952	2.1
481.15961	4.7
495.21970	7.2
513.17072	3.0
513.23425	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	513.2279
Annotation	Cochinchinenene B
Peak:m/z	Relative Intensity
55.01867	3.3
55.05503	3.1
57.07060	4.1
65.03945	2.7
65.90529	1.8
67.05500	8.7
69.03452	2.8
69.07075	5.2
70.06586	2.9
70.27782	7.1
71.04976	1.8
73.06561	4.4
79.05502	12.1
81.03400	3.9
81.07053	12.3
83.04971	2.8
85.02908	3.2
88.07641	4.3
89.06062	2.4
91.05482	17.9
93.03403	3.2
93.07056	9.0
95.01338	2.0
95.04984	12.4
95.08616	4.5
98.21434	1.6
103.05499	2.3
105.07049	17.4
107.04963	3.4
107.08591	7.8
109.06521	6.1
109.10168	3.3
115.05445	5.2
117.07047	6.4
119.04948	3.4
119.08623	8.6
121.02860	2.0
121.06530	7.4
123.08084	1.8
123.11739	2.3
128.06236	4.2
129.07021	7.7
131.08571	4.3
133.06502	7.8
133.10118	5.8
135.04411	3.0
135.08046	2.9
141.06995	3.3
142.07837	3.2
143.08582	5.0
145.06493	5.1
145.10106	4.7
147.04437	4.0
147.08064	5.3
147.11742	2.1
149.02347	3.7
149.05936	3.5
152.06213	2.2
153.07008	2.2
155.08517	4.3
157.06523	3.5
157.10132	4.0
159.08116	4.7
161.02446	8.4
161.06010	6.6
161.09645	5.1
165.07016	5.6
166.07869	2.9
167.08568	3.6
169.10147	6.0
171.08012	2.1
171.11772	2.3
173.06001	4.2
173.09698	3.9
175.03844	2.4
175.07573	6.9
175.11209	11.3
177.05496	7.6
178.07736	3.0
179.08553	4.5
180.09343	2.4
181.06482	2.2
181.10185	3.4
182.07291	2.3
183.08092	5.4
183.11690	4.3
185.05989	4.6
185.09579	1.9
187.03880	5.0
187.07639	2.6
189.05537	2.0
189.09094	4.5
191.08585	3.5
193.10194	7.3
195.08078	5.7
195.11797	2.2
196.08884	2.5
199.07581	2.0
199.11317	2.2
201.05556	2.0
201.09058	3.3
202.07648	1.8
203.07034	100.0
204.07489	2.4
207.08125	2.8
208.08934	2.4
209.09714	3.9
210.06841	2.3
211.07484	4.2
211.11240	4.3
212.08336	2.7
213.05595	2.4
213.09157	4.7
215.14244	2.0
217.10121	2.0
218.10895	2.2
219.08211	3.4
221.06195	2.0
221.09599	5.9
223.07581	3.2
223.11191	2.2
224.08426	2.4
225.09193	5.2
225.12720	4.4
227.07089	4.8
227.10580	10.6
232.08730	2.2
233.13330	3.3
234.06808	2.2
235.07568	3.1
235.11118	2.9
237.09152	3.3
237.12804	2.0
239.07054	2.7
239.10776	5.1
241.08650	7.3
243.10155	17.4
243.13879	3.0
245.09563	3.2
247.07573	2.0
247.11145	2.2
249.09145	4.4
249.12849	2.7
251.07027	3.0
251.14363	7.8
253.08513	2.3
253.12247	4.7
256.26392	6.2
261.09409	1.9
261.12741	3.0
262.13672	3.1
263.07190	2.1
263.10699	4.2
265.08545	3.2
265.12424	2.5
269.08200	7.4
271.13312	3.1
273.09088	2.4
275.10565	2.1
277.08670	5.3
277.12308	6.0
279.10648	3.0
279.13889	12.2
281.11734	3.4
281.15323	2.9
283.16962	2.9
283.26331	7.1
285.09018	3.4
287.10510	2.2
289.08759	2.0
291.10144	3.3
293.08414	2.6
293.11877	6.3
293.15265	3.8
297.11240	3.2
299.10861	2.3
300.11292	2.9
305.08133	4.0
305.11874	7.2
307.09784	6.3
309.11230	2.1
311.13083	3.3
311.16272	15.7
315.10193	2.9
317.11868	2.9
319.09711	4.2
319.13235	2.8
321.11105	2.0
323.09088	5.2
325.11014	4.3
333.10913	2.4
337.14508	4.2
349.11075	5.1
351.12332	9.3
363.13278	2.1
365.11890	3.3
379.11771	21.1
379.16180	2.5
423.19827	2.3
425.13791	2.8
425.20862	2.2
435.19583	5.3
451.19067	8.7
453.20636	22.7
455.22153	7.2
457.23840	3.1
463.19128	6.7
467.22238	6.6
481.20111	31.1
483.21820	15.6
485.23331	19.9
495.21756	19.7
512.50134	8.9
513.14948	4.1
513.22748	77.7
513.35101	18.0
513.50867	7.2
514.22931	3.8
533.17621	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	513.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17051	1.2
55.01858	1.9
56.96972	1.1
65.03966	1.5
67.05499	1.7
69.07058	1.6
69.92921	5.1
69.93336	2.0
73.06556	4.6
79.05487	3.3
81.03413	1.5
81.07041	4.7
83.08614	1.2
85.02915	1.8
91.05475	8.5
93.07040	4.4
95.01341	1.1
95.04971	1.6
95.08633	1.6
98.20778	1.7
103.05482	1.4
105.07043	8.8
107.04951	2.3
107.08595	3.7
109.06510	3.0
115.05455	3.7
117.07007	2.5
119.04947	1.6
119.08591	3.4
121.02824	2.4
121.06546	6.6
128.06204	3.3
129.06990	3.4
131.04942	2.5
131.08578	1.4
132.08856	1.2
133.10114	4.8
135.08063	5.0
141.06970	3.0
142.07858	1.6
143.08536	1.9
145.06505	4.2
147.04442	3.9
147.08086	3.7
148.05164	2.0
149.02359	3.1
149.05994	6.5
154.07788	1.8
155.08577	2.4
157.06476	3.7
158.07304	1.6
159.04468	1.9
159.08012	3.7
160.01506	1.2
160.05260	1.9
161.02365	6.9
161.05959	10.0
163.03908	1.6
163.07568	1.4
165.07008	3.3
167.03427	2.1
167.08606	4.6
169.10182	2.4
171.08031	3.3
173.06023	1.9
173.09596	1.4
174.06767	1.7
175.04050	1.9
175.07600	2.8
177.05481	38.4
178.07837	9.9
179.08530	5.7
180.09384	1.8
181.06491	2.6
181.10033	1.7
182.07295	2.5
183.08025	2.6
185.06053	7.6
185.09564	1.9
187.03906	7.2
187.07556	2.2
187.11220	1.9
188.08226	1.7
189.05463	3.1
189.09161	4.9
191.07031	4.0
191.08586	2.2
192.09410	2.1
193.10136	22.8
194.10710	1.5
195.08086	9.4
195.11705	2.6
197.05974	2.4
197.09613	5.0
198.06810	2.1
199.07599	4.4
201.05542	2.8
201.09050	5.8
203.03448	8.3
203.07033	100.0
204.04054	1.3
205.06575	1.5
205.08374	1.5
206.10872	1.6
207.08063	2.9
209.09644	4.1
209.13036	1.5
210.10428	4.2
211.07512	4.5
211.11191	1.4
213.09091	7.4
213.92126	1.3
215.10744	2.7
216.09380	1.4
218.10963	2.3
219.08118	2.9
220.08881	2.1
221.09633	7.1
223.07520	1.7
223.11011	2.7
225.09135	5.0
225.12704	11.4
226.09917	1.7
227.06984	5.2
227.10699	1.8
229.08505	6.5
233.09680	2.8
233.13248	2.0
234.10347	2.7
235.07634	1.5
235.11215	1.9
237.09131	2.8
238.09924	4.1
239.10681	8.3
241.08571	6.3
241.12413	2.0
243.10153	33.5
245.09627	1.5
247.11240	8.7
249.09015	1.4
249.12833	5.9
251.07112	2.5
251.10699	1.8
251.14265	2.1
253.12274	12.4
254.13179	1.6
256.26340	1.7
259.11383	1.6
261.08932	1.8
261.12848	7.3
262.13614	2.7
263.10745	2.5
269.08026	8.6
269.11792	3.3
271.10327	1.7
271.13367	6.9
275.10785	1.4
279.13873	10.0
281.15393	1.9
283.26321	3.3
291.13715	2.2
293.12137	2.3
293.15366	6.8
311.16479	12.2
319.09686	2.1
319.13321	4.9
341.11786	1.8
351.12781	1.6
357.11026	1.5
363.12506	2.0
371.09137	2.1
377.10132	2.3
379.11804	61.3
383.08853	1.8
387.12204	13.4
387.16306	2.0
399.16165	1.4
401.13998	2.4
413.13821	1.8
415.15543	3.0
419.15091	3.4
427.15417	3.3
433.16486	3.0
435.19559	2.1
445.16617	11.8
451.18848	1.4
453.20953	2.6
455.18521	2.0
463.19333	2.3
467.22238	2.7
481.20154	15.0
483.21344	3.4
495.21518	6.1
512.50378	3.8
513.22729	45.6
513.35248	3.4
513.50360	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	513.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54955	0.4
52.04847	0.4
55.05494	0.7
56.05578	0.4
57.07068	1.4
65.03923	0.6
67.05458	0.6
68.99801	0.4
69.54765	3.5
70.06600	0.7
74.58666	0.5
79.05477	2.0
81.03391	0.6
81.07057	1.2
83.01337	0.8
85.02901	0.8
88.07624	1.2
89.03900	0.8
91.05476	4.7
93.07053	5.7
95.04946	0.6
95.08563	0.5
98.21561	0.5
102.09168	1.0
103.05451	0.8
105.07027	2.7
106.04156	0.9
107.08621	2.5
109.06502	1.0
111.08065	0.7
114.78928	0.5
117.06937	0.8
118.04185	0.8
119.04910	1.0
119.08586	1.1
121.02852	2.9
121.06516	9.2
127.13142	0.5
129.06987	0.6
131.08586	0.6
133.06520	0.7
133.10146	2.5
134.03648	1.3
135.11723	2.4
141.06978	0.6
145.02855	0.5
147.04442	4.8
147.08044	1.4
148.05205	3.6
149.05975	7.9
160.01610	1.3
161.02338	3.9
161.05991	1.9
162.03061	0.7
163.03917	0.5
175.03896	2.4
175.07498	1.2
177.05472	58.9
179.08572	0.6
181.10019	0.7
185.05991	1.8
188.00995	0.8
203.03426	17.0
203.07036	69.0
204.04131	1.6
204.07315	0.7
213.09108	0.8
220.59399	0.6
225.08893	0.5
227.07053	0.6
232.09055	0.6
241.08527	1.4
251.07135	0.7
253.08626	1.3
253.12086	0.6
256.26251	2.4
265.42065	0.7
269.08066	2.9
279.13818	0.7
283.26312	2.7
291.10101	0.8
293.07968	0.9
311.16534	3.3
318.09033	0.6
319.09641	2.1
321.07584	1.3
323.12744	1.2
333.11258	1.8
337.14493	1.3
347.09103	0.8
349.10873	1.1
351.12366	4.6
379.11777	100.0
380.12228	2.2
381.13550	0.8
429.17047	5.0
457.16605	0.6
512.50397	4.7
513.22833	12.6
513.35016	0.9
513.50555	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	513.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91820	0.8
53.03952	1.2
55.01876	2.5
55.05512	2.6
56.96587	1.6
59.04992	1.7
65.39391	0.8
67.05501	3.9
68.99771	1.0
69.03436	1.9
69.07078	5.5
71.58243	1.2
73.02888	1.3
73.06557	2.3
75.36151	0.9
79.05495	6.2
81.03427	3.6
81.07061	6.6
83.08576	1.0
85.02907	6.7
88.07637	1.1
91.05494	9.8
93.07047	8.0
95.01344	3.0
95.04974	1.9
95.08613	2.8
99.04464	1.3
102.09188	0.9
103.05471	1.0
105.07014	5.7
107.04932	1.3
107.08609	3.3
109.06523	3.0
109.10175	1.1
111.04485	2.0
115.05464	2.1
117.07033	5.0
117.33853	0.9
119.04948	1.3
119.08585	5.6
121.06535	4.7
121.10134	1.1
123.08102	1.5
125.05978	1.5
128.06189	4.5
129.07010	7.8
131.04987	1.7
131.08566	3.5
133.02924	1.2
133.06496	1.2
133.10161	3.6
135.04413	1.2
135.08047	2.6
135.11690	3.7
136.25255	0.8
141.06998	4.3
142.07779	2.2
143.08585	3.8
144.05826	1.0
145.06509	3.8
145.10115	2.5
147.04463	1.6
147.08061	5.1
149.02357	2.5
149.05959	1.6
151.03941	1.7
152.06267	2.3
153.07005	4.1
154.07780	3.2
155.08574	7.7
156.09366	1.5
157.06479	4.5
157.10150	2.8
158.07205	0.8
159.04413	1.5
159.08116	3.7
159.11697	1.3
160.05174	1.5
160.34990	0.9
161.02350	7.7
161.05984	7.4
161.09644	1.7
163.03893	0.9
165.06963	6.7
166.07800	4.4
167.03450	2.2
167.08578	7.9
168.09370	3.3
169.06540	1.9
169.10158	4.7
170.07291	1.4
171.08098	3.3
171.11758	1.5
172.08778	1.5
173.06042	3.0
173.09709	1.8
175.03969	1.2
175.07582	9.2
177.05486	4.4
177.09135	1.6
178.07805	3.2
179.08562	7.7
180.09348	3.0
181.06476	5.7
181.10094	4.5
182.07213	4.7
182.11012	0.9
183.08041	5.2
183.11728	3.5
184.08878	1.4
185.05965	7.3
185.09647	4.6
187.03925	8.0
187.07574	4.2
187.11249	1.9
188.08308	1.1
189.05450	2.1
189.07365	1.1
189.09117	8.0
191.07039	1.1
191.08603	2.1
192.09372	2.6
193.10129	8.9
194.07256	1.5
194.10883	1.5
195.08052	17.1
195.11734	4.6
196.08772	4.8
197.06033	2.6
197.09605	6.1
197.13286	1.9
198.06776	4.4
199.07533	10.9
199.11235	2.9
201.05489	2.3
201.09076	6.4
201.12822	1.0
202.07938	1.0
203.07036	100.0
205.04938	1.5
205.06654	1.2
205.10152	2.3
206.07399	1.4
206.10907	1.0
207.08118	3.5
207.11734	4.1
208.08896	1.8
208.12576	1.3
209.06158	0.9
209.09566	6.2
209.13177	1.7
210.06862	2.6
210.10428	3.1
211.07596	3.6
211.11186	4.7
212.08337	4.1
213.05585	1.0
213.09119	16.1
215.10701	2.1
216.09248	1.4
217.10112	2.7
217.12186	0.9
218.10895	5.7
219.08104	1.9
219.11713	2.0
220.08673	1.1
220.12425	1.5
221.09639	3.9
221.13222	1.2
222.10425	3.0
223.07585	9.3
223.11150	2.5
223.14877	1.6
224.08334	2.1
225.09145	12.1
225.12616	5.3
226.06285	2.8
226.09903	2.0
227.07095	4.4
227.10709	6.6
227.14088	4.0
228.07642	1.2
228.11562	1.6
229.08627	2.9
229.12265	1.3
231.08148	1.5
232.08885	1.0
233.09634	1.6
233.13284	3.9
234.10362	1.5
235.07547	2.5
235.11252	3.5
236.08371	1.7
236.11942	3.1
237.09090	5.2
237.12843	3.3
238.09798	4.0
239.07098	2.4
239.10645	5.3
240.07872	1.3
241.08607	26.3
241.12436	2.2
242.09367	2.1
243.10208	24.7
243.13875	15.6
245.09746	1.8
245.15392	7.7
246.10417	2.5
247.11089	1.6
249.09233	2.8
249.12701	2.0
250.10117	1.3
250.13602	1.0
251.07094	3.0
251.10759	2.8
251.14308	6.9
252.11440	0.9
253.08672	2.8
253.12257	17.0
254.09387	1.1
254.13092	3.3
255.06621	4.8
255.10202	10.6
255.13718	4.0
256.10968	1.2
256.26282	2.4
257.08035	4.3
257.15479	4.1
261.09167	1.2
261.12817	3.0
263.10645	2.3
264.11444	1.0
265.12164	1.2
265.15869	1.7
267.10321	1.2
267.13806	4.0
268.11057	1.4
269.08102	45.9
269.10916	1.5
269.15466	3.3
270.08716	1.4
271.09726	4.4
271.13333	7.8
275.10541	1.1
277.12283	3.4
278.13095	1.4
279.10797	1.5
279.13818	11.9
281.15512	1.8
283.16891	11.6
283.26376	2.3
291.10165	1.3
291.13528	1.8
293.15399	7.3
295.13358	1.5
305.11575	1.6
309.14847	2.5
311.16449	66.3
312.17105	1.5
319.13272	2.1
333.17496	2.7
337.14407	15.6
337.48297	1.0
351.68591	1.0
379.12158	3.2
383.09143	1.6
397.15030	1.9
399.16187	1.7
411.11874	1.9
413.13834	7.4
415.15488	2.0
425.13806	1.8
427.15549	2.8
429.17307	8.7
435.19833	1.4
439.14908	1.1
445.16461	9.9
455.18622	1.6
457.16519	1.8
463.19116	5.3
481.20093	10.0
483.21738	2.5
495.21683	8.3
512.50531	3.6
513.22766	52.9
513.35382	6.2
513.50848	1.1
514.23077	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	513.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.03428	1.6
61.02917	3.8
67.05489	1.8
68.99796	8.3
69.03426	2.7
69.79693	2.0
69.80118	4.1
73.02947	0.9
79.05483	3.9
81.03429	4.8
81.07052	3.2
82.04190	1.7
83.04969	1.1
85.02911	5.2
87.00820	4.3
91.05506	4.4
93.07031	1.2
95.04977	4.9
95.08598	2.6
97.02888	4.3
98.20702	0.9
99.04441	1.3
103.05512	1.6
105.07022	2.9
107.04929	1.2
109.02898	1.9
109.06496	3.6
109.07182	0.8
110.03651	2.5
111.04424	2.0
115.05448	2.3
117.06991	2.5
118.04182	1.3
119.04926	1.1
119.52479	0.8
121.02876	1.1
121.06496	3.1
125.05968	2.6
127.03931	2.2
128.06216	2.0
129.01816	4.5
129.06984	1.8
131.04915	3.3
131.08475	1.2
133.02832	1.9
133.06502	2.3
134.03674	1.0
137.05984	23.3
138.03127	24.3
141.06981	1.6
143.04774	1.1
143.08516	1.3
144.05666	2.0
145.06476	3.7
146.03632	1.3
147.02890	2.6
147.04398	2.7
148.05203	3.1
149.05986	3.7
150.03139	2.0
151.03984	2.2
152.06195	1.2
153.05473	100.0
154.05821	1.1
155.04857	1.4
155.05981	1.2
157.06512	1.5
159.04355	2.1
159.08035	1.3
160.05209	1.0
161.05969	12.6
162.03111	8.8
163.03909	3.2
163.07515	1.4
165.05492	2.2
165.06937	2.1
168.05739	1.7
169.06500	2.5
171.04419	1.6
171.08055	1.3
172.05164	2.0
173.06001	3.2
174.06769	1.4
175.03903	2.1
175.07571	5.3
176.04706	2.4
177.05470	19.3
178.06302	1.0
179.06949	1.0
179.08600	1.3
181.06599	1.6
183.04434	2.6
183.08034	1.8
184.05199	2.8
185.05988	3.2
187.07492	2.0
188.04642	1.6
189.05466	4.7
190.06303	2.5
191.07056	4.3
191.08522	1.2
193.04913	2.4
195.08081	2.6
196.05174	1.4
197.05974	3.5
198.06799	2.5
199.04007	1.5
199.07663	4.5
200.04633	1.6
201.05489	3.3
203.06955	8.2
207.08066	1.4
209.05951	1.8
209.09660	1.2
211.07645	4.7
212.08429	1.3
213.05472	4.6
213.09125	1.7
214.06270	1.3
215.07057	4.2
218.07353	1.4
219.06342	4.8
219.08264	2.2
221.06001	2.1
222.06882	1.2
223.07529	2.6
224.08482	1.2
225.05391	2.5
225.09148	1.6
226.06129	1.3
227.07063	4.2
231.06433	7.7
233.07904	4.7
234.06720	1.7
235.07567	3.7
236.08340	1.3
237.05415	2.3
237.09097	1.9
238.06322	1.1
239.07033	6.3
241.04935	1.7
241.08531	3.7
243.06458	2.2
245.08032	5.2
246.06808	2.0
247.07620	3.0
248.08449	1.3
249.09283	1.7
250.06252	1.6
251.07011	6.0
251.10675	1.1
252.04243	1.1
252.07686	1.5
253.05032	8.1
253.08691	2.0
255.06610	2.6
257.08096	14.4
259.07535	1.4
260.08490	1.8
261.07379	9.5
262.06213	1.3
263.07022	4.0
264.07822	3.2
265.08591	2.3
267.06589	7.3
268.07339	7.8
269.08109	13.4
271.07532	1.2
275.07010	3.4
276.07831	1.4
277.05685	1.0
277.08615	5.1
279.06396	2.1
279.10019	2.8
280.07364	2.1
281.08054	5.6
283.05875	1.5
283.09689	1.1
284.06747	3.3
285.07593	11.1
287.07138	1.2
288.07758	1.6
289.08545	4.0
291.06415	4.3
291.09891	1.0
292.07513	2.2
292.10522	1.1
293.08078	3.3
295.06165	1.6
295.09543	1.8
296.06747	1.1
297.07553	1.7
298.08487	1.2
299.09241	6.5
300.10043	6.2
303.05997	0.9
303.10071	2.3
304.07361	2.0
305.08154	5.7
306.08875	3.6
307.06183	2.2
307.09619	11.1
308.06873	1.8
309.07547	3.4
309.10992	1.6
311.09232	2.3
313.10727	8.3
315.06537	1.2
316.07233	1.1
317.07935	2.9
318.05539	1.2
319.06064	1.6
319.09647	2.7
320.06885	1.3
320.10364	2.3
321.07623	2.3
321.11087	2.7
322.08252	1.9
323.09201	6.8
324.10074	1.9
325.10681	1.9
327.08612	2.9
331.09573	3.7
333.07544	4.9
334.08209	2.9
335.09167	12.0
336.09808	1.5
337.10724	7.9
339.12335	2.5
345.07474	1.6
347.09027	1.9
348.09933	3.4
349.10782	5.7
351.08609	2.2
351.12430	1.7
353.09973	1.6
359.09207	3.0
361.06985	1.2
362.07779	1.7
363.08395	1.8
363.12320	7.0
365.08698	7.6
366.11053	1.8
367.11823	8.6
376.09375	3.0
377.10214	16.8
378.10938	2.5
381.13242	5.5
391.11832	19.3
392.12531	2.5
394.10406	3.4
395.11264	1.5
409.12836	50.7
427.14108	2.2
437.12393	2.4
455.57370	0.9
469.15103	1.4
481.11258	2.3
495.12112	4.4
513.13824	10.9
513.27155	1.0
518.92102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
54.13733	1.1
57.03425	2.8
61.02925	3.2
69.03429	6.8
70.06586	1.8
71.04983	1.1
71.12514	1.2
71.12855	1.8
72.08132	1.6
73.02923	1.9
74.06067	1.5
79.05479	1.0
81.03421	2.6
83.04965	1.5
85.02904	25.8
87.04430	1.5
95.01313	2.1
97.02906	8.7
98.97559	2.3
109.02904	2.7
110.03653	7.0
116.07102	1.3
123.04395	1.1
125.05992	24.3
126.09249	1.0
127.03915	7.4
138.09352	1.0
141.01836	5.0
144.06639	1.1
145.04953	8.7
147.04449	1.2
153.05472	100.0
156.04202	14.9
157.08612	2.0
163.06023	3.1
171.06528	38.4
183.06566	1.4
219.01749	1.2
257.16989	1.0
300.14258	1.2
309.41660	1.0
344.13870	1.0
512.27252	1.3
513.15790	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59738	0.4
55.05510	0.7
56.05033	1.9
57.03438	0.6
58.06594	1.1
67.05501	0.8
69.03428	2.0
69.07070	0.7
70.06585	1.1
71.16720	1.1
72.08153	1.5
73.02901	0.8
74.06074	0.7
81.03416	2.4
83.04997	3.6
84.08155	1.0
85.02918	2.9
85.06548	0.5
89.03928	2.9
93.07059	0.8
95.08611	1.2
96.08148	1.9
97.02895	1.3
99.04478	0.9
101.06020	1.5
102.05550	38.7
102.09177	2.3
105.07050	0.7
109.02882	0.9
109.10138	0.7
111.04447	0.5
117.03389	10.6
119.08584	0.5
119.10110	0.4
123.04440	0.9
127.03912	1.2
128.10716	4.2
134.03665	1.2
135.04417	0.7
138.05492	0.7
142.08644	0.8
145.02859	30.4
147.04396	0.6
149.05978	3.3
149.09645	0.8
153.12720	1.3
156.10155	0.6
163.03955	0.7
174.11275	36.9
177.05484	35.6
186.05643	0.5
195.10265	0.5
203.03517	0.5
210.36461	0.5
264.12436	1.2
289.05264	1.8
296.06488	0.8
302.67377	0.5
311.10193	0.8
320.39310	0.5
321.10229	0.5
322.07977	0.8
334.08228	0.5
336.16544	15.9
350.07486	0.9
357.87634	0.5
362.07477	0.8
392.08484	1.4
411.82321	0.5
413.68390	0.5
428.10513	1.1
434.09698	0.7
476.10587	0.5
480.17700	0.5
494.11484	0.9
512.21301	100.0
513.21368	1.5
538.43671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21986	2.0
53.03940	9.1
55.01876	5.8
55.05525	16.3
56.96570	20.5
57.03445	27.2
61.02942	20.9
65.03963	3.4
67.05515	39.7
69.03439	24.2
69.07078	19.6
71.01336	4.4
71.04995	10.9
73.02920	9.1
79.05053	3.2
79.05501	41.6
81.03012	3.4
81.03430	25.0
81.07064	50.8
83.04984	8.5
83.08640	11.8
84.96039	8.2
85.02906	33.6
85.06543	8.0
89.06032	3.2
91.03955	7.9
91.05489	61.3
93.07057	52.3
95.05000	13.2
95.08614	39.1
97.02914	27.2
97.06531	7.7
97.10184	4.5
98.97593	47.3
99.04449	6.2
101.02419	4.5
101.05973	2.9
103.05491	3.8
105.07043	68.5
107.04962	7.4
107.08611	29.5
109.02857	11.3
109.06525	9.1
109.10178	18.9
110.97591	33.0
111.04526	2.9
111.08080	5.5
112.98495	2.6
112.99132	14.5
116.98640	18.6
117.07019	33.1
119.04948	2.5
119.08601	46.7
121.06528	10.0
121.10168	15.0
121.70255	2.4
123.04404	3.0
123.08078	7.7
123.11832	2.4
125.09721	2.9
127.00661	3.5
127.03937	11.6
128.06244	4.7
128.98628	30.3
129.05490	6.2
129.07016	17.7
131.00188	12.5
131.04953	2.9
131.08606	35.6
132.05679	3.5
133.06503	3.7
133.10135	31.5
135.08102	5.4
135.11703	7.4
137.02338	15.1
137.05998	4.6
137.09651	4.4
140.00218	2.7
141.06979	7.4
142.07819	3.5
143.00211	6.3
143.08586	17.5
144.98016	3.8
145.04977	4.1
145.06564	4.6
145.10133	37.8
146.99716	11.5
147.08055	4.0
147.11708	19.5
149.01256	3.0
149.09624	11.0
149.13206	5.4
151.03949	4.5
151.07552	2.9
151.11157	2.6
153.05466	6.4
155.00160	3.3
155.08559	6.5
157.10197	14.3
158.99641	5.8
159.08037	3.8
159.11707	40.1
161.01215	2.7
161.09688	5.3
161.13264	9.6
163.07516	3.5
163.11185	7.3
167.07082	6.5
167.08568	4.9
169.10133	7.8
170.99655	37.9
171.11708	12.4
173.01295	5.9
173.09610	3.2
173.13226	14.5
175.11205	6.7
175.14754	4.3
177.00693	4.0
177.05513	4.4
177.12819	3.4
179.10527	3.6
179.50822	2.9
183.08144	2.9
183.11720	6.0
185.01222	8.9
185.13260	17.4
187.02834	3.1
187.11157	4.5
189.00728	49.2
189.11267	3.0
189.12816	5.1
191.07043	2.9
191.10710	3.3
191.14316	3.4
197.13286	8.4
199.11137	3.1
201.12778	5.3
201.16473	3.1
203.02216	5.3
203.14319	8.0
207.01814	6.6
209.13307	2.9
215.17915	3.9
219.17467	4.6
229.19435	5.4
231.01793	3.3
239.17932	13.9
249.02815	11.3
257.03354	3.2
257.19040	30.4
273.03976	3.2
275.19998	26.9
299.19952	2.8
301.03351	3.2
303.03998	2.5
305.01855	8.8
317.05362	4.5
323.02805	8.8
331.22690	7.3
349.23776	49.7
377.07544	5.4
383.22263	3.7
395.08817	12.5
451.07697	100.0
451.14023	5.6
452.07986	4.6
463.09296	7.3
465.09467	4.1
475.27377	3.8
493.28772	4.4
511.12488	4.9
511.24249	6.2
511.30206	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29857	0.4
51.47356	0.5
55.05505	1.0
56.05017	1.5
57.07079	2.3
58.06594	1.6
60.08168	16.7
65.11389	0.4
65.94141	0.4
67.05489	1.3
69.07052	0.8
69.36153	3.8
71.07380	6.2
71.08613	1.7
74.47948	0.5
79.68783	0.5
81.07032	1.5
85.10189	0.8
86.09710	50.0
90.11337	0.4
91.05489	4.6
92.05796	1.2
93.07015	0.6
95.08588	1.8
97.10162	0.6
98.98481	3.9
104.10751	100.0
105.07005	0.7
106.07326	0.5
107.08597	0.7
109.10160	0.9
117.07063	0.5
119.08591	0.6
125.00014	29.9
133.10133	0.5
163.01605	0.6
184.07352	95.5
203.07146	0.4
258.11102	0.7
266.08838	0.4
290.42514	0.5
327.29102	1.8
386.18518	1.5
492.34515	8.6
510.23657	4.3
510.36057	29.5
511.34109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.3
66.71171	2.5
67.05503	5.4
71.56175	3.9
79.05486	4.6
81.07051	3.5
91.05481	5.1
93.07046	7.8
95.04980	6.7
95.08631	4.0
100.30521	2.4
105.07029	6.2
107.04948	5.9
107.08581	6.6
109.10219	2.7
119.08599	4.0
121.10160	6.2
131.08557	2.9
133.10112	3.3
143.08603	3.3
145.10135	4.8
148.05244	4.0
151.03914	25.9
151.07565	11.3
161.05991	4.1
169.10193	2.9
175.07564	2.7
179.07043	7.7
185.51794	2.6
192.04153	2.5
203.07050	3.6
207.06514	17.8
208.07291	5.3
211.07571	4.4
232.90305	2.6
255.06793	3.3
257.08118	5.1
269.08072	10.2
270.30219	2.7
281.08203	3.5
295.16989	5.9
297.07611	10.3
298.08478	4.0
313.10684	100.0
357.09668	10.1
358.16351	3.5
492.80676	3.1
493.31656	3.7
511.34073	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.2
55.01862	5.1
55.05510	22.5
57.03439	28.2
57.07054	3.5
59.30047	3.0
65.03941	5.2
67.05506	99.3
68.99783	3.1
69.03425	15.3
69.07079	20.5
70.82474	7.9
71.01358	22.2
71.04990	4.8
73.02914	26.9
75.04468	4.6
79.05499	66.9
81.03431	7.3
81.06573	6.7
81.07057	100.0
82.04338	2.8
83.04985	5.0
83.08626	9.3
85.02908	50.2
91.05481	47.5
93.07053	83.9
95.01334	11.4
95.04969	7.6
95.08610	83.2
97.02903	23.4
97.06519	4.4
99.00811	5.7
99.04448	6.3
99.08081	3.9
101.02385	8.2
103.03948	12.4
105.07025	33.1
107.08592	42.1
109.06542	3.7
109.10155	41.3
113.02357	20.9
116.96922	2.8
117.05524	3.9
117.06996	10.5
118.96715	3.0
119.08586	26.1
121.06514	3.9
121.10152	26.7
123.00819	4.1
123.08001	3.3
123.11692	13.0
125.02343	3.9
131.03403	10.3
131.08578	26.3
133.10149	20.5
134.89821	2.9
135.11707	27.0
137.13277	5.8
141.01842	25.1
143.08583	4.3
145.04950	3.3
145.10118	18.5
147.11658	12.9
147.29433	3.8
149.13240	17.7
154.20027	3.1
155.08423	3.0
159.02885	8.3
159.11699	13.7
161.06004	4.8
161.13248	12.4
163.14807	10.0
169.05017	5.4
173.13286	16.2
175.14874	5.0
187.14862	8.1
198.98218	3.1
201.16338	3.4
203.06996	4.2
215.05446	5.8
233.22731	3.5
243.21089	15.9
261.22156	41.3
279.23605	3.2
291.95898	3.7
303.23193	5.3
323.54993	3.1
335.25793	41.4
355.22861	4.6
493.28253	3.6
503.61575	3.4
511.17255	11.1
511.28979	12.6
511.35013	5.9
511.80426	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	510.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.9
55.05512	12.4
57.03437	3.4
61.02927	5.6
67.05516	5.3
69.03437	18.3
69.07090	4.7
71.05015	3.7
71.53909	5.8
79.05499	6.4
81.03425	11.3
81.07065	23.2
83.04997	15.7
83.08641	16.9
85.02467	4.6
85.02921	33.2
85.06517	4.0
86.09693	4.1
87.00832	16.8
91.05486	7.9
93.07055	12.2
95.04976	19.7
95.08620	8.1
97.02886	15.3
97.06545	6.0
99.04459	11.5
105.01891	14.0
105.07068	14.2
105.30594	2.6
107.08606	16.0
109.02873	12.8
109.06539	27.5
109.10176	14.8
111.08131	3.4
119.08586	6.4
121.10158	27.1
123.08104	3.3
123.11683	4.0
125.09601	4.1
127.03925	19.3
131.08577	8.6
133.10141	39.2
135.08089	6.0
135.11714	6.2
139.11195	9.8
145.04991	9.4
145.10165	4.7
147.11700	3.9
149.13255	15.0
151.11230	16.2
153.09146	6.7
156.79459	2.9
158.10973	3.4
159.02882	6.3
163.14874	8.0
167.14352	15.3
173.13277	27.9
191.14325	40.9
209.15399	100.0
217.09789	2.7
227.16455	12.5
231.05066	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	510.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27924	0.9
59.60585	0.9
60.19126	1.0
65.03932	1.3
67.05486	1.2
70.69583	1.8
70.69926	2.0
79.05466	1.4
80.05011	1.4
81.07048	1.7
89.03913	2.1
91.05455	2.2
93.05770	1.5
93.07018	2.0
94.06568	2.4
98.06055	1.2
103.05462	1.3
105.06992	2.0
107.07327	3.8
107.08558	1.0
108.04488	20.1
108.08123	100.0
109.06487	1.4
116.04978	10.0
117.03384	1.2
120.08126	1.1
120.82150	0.9
122.06067	2.2
122.09695	5.3
128.48730	1.0
135.06776	0.9
136.07568	4.2
140.07039	3.9
140.50446	1.0
142.28461	1.0
144.04451	13.2
145.02824	1.6
146.06010	20.3
150.05501	3.9
150.09143	32.3
151.09508	1.8
160.03912	4.6
162.05542	3.0
167.06947	1.0
168.06566	21.9
172.03931	31.9
173.04613	2.5
174.05521	17.5
190.04994	42.5
191.05661	1.2
200.94029	1.0
204.06569	34.3
206.08128	15.9
210.11349	1.0
253.13330	2.7
256.03723	1.4
257.03970	1.1
263.03055	1.1
271.05969	9.1
272.06345	13.8
281.09686	1.7
281.12875	15.6
284.06668	1.6
295.10818	1.9
299.05450	3.7
299.10278	4.2
300.06149	4.9
301.06808	3.2
302.07382	2.7
309.12338	65.2
313.11893	5.5
323.10236	8.0
327.13483	8.4
329.11133	2.6
341.11374	19.5
341.15036	1.4
359.12491	3.6
373.14127	9.8
436.18784	5.9
450.20090	2.6
460.19107	1.3
478.19778	74.2
479.20142	2.3
492.13373	5.0
492.21173	5.3
496.20834	3.2
510.14929	30.6
510.23154	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	510.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
56.96286	1.6
56.96568	32.5
57.03429	2.8
58.06600	1.0
59.01283	0.7
61.02919	2.4
69.03423	5.4
69.07053	0.9
69.55695	5.5
70.98116	1.8
71.04997	1.7
71.95255	1.4
72.08167	2.3
73.02929	4.4
74.97604	1.0
76.09054	0.9
81.03429	3.2
83.05001	1.0
83.97625	1.6
84.08120	1.9
84.96027	5.1
85.02915	11.4
86.09711	1.3
91.05497	1.0
97.02898	6.5
98.09703	2.2
98.20753	1.7
98.97588	100.0
99.04430	1.2
100.54131	0.8
100.99149	1.2
102.09183	0.8
102.96972	0.9
103.05467	1.0
110.97572	14.2
112.07613	1.4
112.11269	1.1
112.99142	3.7
115.00704	5.6
115.03929	0.7
116.10744	2.0
116.98628	39.1
119.00098	1.2
121.06527	2.0
124.99162	1.5
126.09204	1.2
127.00657	1.2
127.03934	2.8
128.00198	6.1
128.10730	2.2
128.98611	13.4
129.02242	1.2
130.08615	0.9
131.00200	4.5
131.04942	1.3
133.01740	3.4
134.99660	8.2
135.03468	0.8
137.05965	3.9
140.06921	1.1
140.98599	1.5
142.01787	2.3
143.00177	3.8
144.03329	0.9
144.13814	1.5
144.98112	1.5
145.01747	2.0
145.04951	1.6
146.01285	11.0
146.99687	5.3
147.03307	2.7
147.04417	3.2
149.01305	1.4
149.05981	1.8
152.05702	1.3
152.98630	2.3
154.93295	0.9
155.99698	2.1
157.01785	0.9
158.04924	1.0
158.11732	1.3
158.99666	36.8
159.03227	3.9
160.02855	2.1
161.01184	4.0
162.04350	1.3
163.02751	1.1
163.03937	1.1
164.02292	11.6
165.04387	1.9
166.49042	0.9
167.07062	8.8
170.05225	1.6
170.99704	6.2
171.03262	5.0
172.94406	1.3
173.01189	1.9
174.00752	2.3
174.11237	1.7
175.02863	2.4
177.00742	24.8
177.04280	12.2
177.05585	2.1
178.04887	1.1
179.07047	1.4
180.00237	0.9
182.03337	2.3
184.02849	5.7
186.04419	2.1
187.02795	2.6
188.12799	1.1
189.00642	3.9
189.04375	8.7
191.02422	1.2
193.03879	1.2
195.05415	4.1
200.02254	1.2
200.05992	1.7
200.93916	0.9
201.00719	4.0
201.04413	1.3
202.03835	4.4
205.03883	2.3
207.05354	1.5
209.08153	2.4
210.04446	2.3
212.06007	1.9
214.95378	1.8
215.05971	1.0
216.05490	1.3
217.03903	1.1
218.07048	8.2
219.01779	26.8
219.05394	2.5
220.02081	0.9
227.09222	5.2
228.05460	9.9
230.07021	3.3
231.05463	2.8
232.11940	1.0
232.96631	0.9
237.02829	37.9
238.03374	1.3
240.05510	1.2
241.03909	1.1
242.03598	1.0
244.08543	1.8
244.96320	1.0
246.06528	3.3
248.08203	0.9
251.04454	1.4
258.06491	7.8
260.04590	1.2
262.09570	2.9
264.07614	1.8
268.02042	1.0
272.08105	2.1
276.04581	1.5
276.07559	24.2
277.06119	1.8
286.09637	25.2
290.09219	1.4
291.07507	16.9
294.08630	1.8
295.07101	1.9
298.09689	1.6
304.10703	6.2
309.08585	34.6
310.09106	1.5
316.10626	1.3
318.12082	0.9
321.08490	13.0
332.10193	1.3
334.11688	1.2
337.08072	1.7
339.09613	11.9
340.10571	1.3
351.09637	3.5
362.11404	1.1
363.09653	2.3
380.12302	2.3
381.10767	4.6
384.07211	3.2
384.12149	1.6
385.07617	1.1
388.12970	2.3
390.10727	1.4
409.10132	1.9
432.15341	1.1
436.10843	2.6
446.17352	1.2
446.97882	1.0
450.16522	1.8
462.16318	4.9
478.19669	28.6
492.17679	10.5
510.18768	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	15.4
55.01862	21.6
55.05508	45.7
56.96561	9.5
57.03439	14.4
57.07078	13.2
59.33577	8.5
65.03944	7.1
67.05511	67.5
69.03436	18.3
69.07063	58.2
69.78690	28.4
69.79105	15.7
71.05000	9.3
79.05500	80.7
81.03417	29.8
81.07056	100.0
83.04957	16.5
83.08627	43.1
85.02896	29.0
85.06546	18.2
91.05473	62.0
93.07043	64.3
95.04975	41.3
95.08630	89.3
97.02901	17.3
97.06519	16.3
97.10162	33.1
98.20766	16.0
98.97599	13.3
99.04424	10.7
99.08085	9.7
100.70688	7.7
105.07030	46.8
107.04942	42.2
107.08602	45.8
109.02864	11.9
109.06521	40.1
109.10161	63.0
111.04465	10.6
111.08109	10.7
111.11720	16.3
117.07018	19.4
119.04974	13.9
119.08582	38.2
121.06528	36.6
121.10143	47.3
123.08089	13.6
123.11704	28.7
125.09597	20.8
125.13213	7.7
127.03897	16.5
128.06081	8.2
129.07016	14.6
131.04958	12.5
131.08574	31.1
132.05679	14.0
133.06496	10.6
133.10129	24.6
135.08075	17.9
135.11716	24.2
137.05963	12.8
137.13280	15.3
143.08560	11.6
145.06444	13.2
145.10126	23.2
147.08046	12.9
147.11720	11.4
149.09598	23.6
149.13231	19.3
150.09145	32.2
151.03940	18.4
151.07573	14.5
151.09520	13.5
155.08511	9.1
157.10146	21.8
159.08087	13.6
163.03905	10.0
163.11185	19.4
163.14780	16.3
165.09047	10.8
167.10670	10.5
170.15417	9.7
173.09579	9.3
173.13225	10.8
175.03951	22.9
185.06006	11.3
191.06905	10.0
192.07834	22.1
199.13312	18.9
211.13315	12.1
213.12550	8.3
219.13841	20.3
223.13226	10.7
227.12642	12.0
233.15417	9.4
241.05048	11.7
255.06694	9.6
269.04526	13.5
271.06018	30.8
273.17044	9.4
275.27438	13.9
281.08875	8.6
285.07498	20.1
293.17529	13.5
293.28351	29.1
298.74850	8.2
299.05453	27.1
299.08661	8.3
301.07083	22.5
312.26401	9.3
315.07590	9.9
329.06500	19.1
329.21347	10.1
340.10263	10.4
349.21454	13.3
355.32886	9.1
367.22684	24.3
385.23630	38.7
435.27304	8.3
459.27448	56.1
461.08301	10.6
465.14258	11.4
477.18170	12.6
491.13351	59.5
491.29962	15.3
509.13907	79.5
509.22784	48.5
509.40225	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	509.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09788	8.4
51.87799	7.5
53.03949	11.7
55.05503	23.6
60.05364	8.7
67.05508	19.8
69.07070	24.7
71.05003	8.9
78.05501	8.2
79.05498	30.1
81.07055	100.0
85.06527	20.1
91.05495	19.0
93.07030	65.7
95.04980	9.6
95.08588	72.5
97.06576	11.3
97.10152	11.5
97.20375	9.7
99.08093	15.2
105.07034	29.4
107.08591	68.4
109.10187	54.2
111.08080	14.4
117.07014	9.4
119.08587	34.7
120.08131	12.9
121.10149	31.4
123.11703	20.8
127.03913	11.3
129.56483	8.8
131.13535	8.2
133.10115	32.2
135.11717	20.5
137.13313	10.6
142.08696	11.6
145.10120	17.8
147.10590	8.7
147.11693	25.4
149.09637	11.9
149.13240	54.4
151.11256	16.1
161.13257	19.2
163.14917	14.7
173.13336	13.4
175.14787	14.0
177.16386	9.8
177.41576	7.9
189.16426	10.8
191.14319	45.4
193.15866	10.8
200.47601	8.0
207.17543	13.2
209.15324	55.0
229.51254	9.4
249.18568	9.8
253.55109	9.6
258.37497	9.3
275.23810	19.9
287.23734	20.1
295.45087	10.3
305.24710	18.1
341.19617	19.8
359.20731	21.2
437.28909	17.0
455.29715	13.0
509.20496	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	509.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.2
59.73567	8.9
59.76411	8.6
67.05494	22.2
69.07083	23.7
79.05466	29.6
81.07050	100.0
83.71225	9.1
84.32368	10.3
85.02917	10.6
85.06546	33.0
91.05479	19.9
93.07042	67.7
95.04919	14.3
95.08613	93.4
97.10141	24.5
99.08069	24.0
105.07013	37.6
107.08613	61.9
109.06524	12.5
109.10134	50.2
111.08080	19.3
111.11718	13.6
119.08585	39.1
121.10153	49.9
123.11694	32.8
123.78789	10.8
125.09624	10.5
129.27879	11.1
133.10144	22.5
135.11700	32.9
142.08629	12.3
145.10120	13.6
147.11668	21.5
149.13246	56.1
161.13271	22.7
163.14848	15.8
165.09201	11.1
173.13272	20.2
191.14299	42.8
209.15366	54.9
275.23828	14.3
287.23712	23.8
305.24808	23.7
341.19644	15.8
359.20462	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	509.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37423	0.4
53.03929	1.3
55.05489	0.5
63.73521	0.4
65.03935	1.1
67.05504	0.9
69.07075	0.6
71.57960	0.7
71.81566	0.4
78.08876	0.5
79.05501	3.2
81.07050	1.9
91.05493	5.5
93.05098	0.4
93.06476	0.5
93.07052	7.5
95.04984	3.7
105.07011	1.3
107.08604	5.5
109.10131	0.5
121.06497	1.1
123.04472	0.5
133.02893	0.5
135.11719	2.9
136.05223	0.8
137.06004	0.7
147.04366	0.6
148.05186	1.7
151.03915	17.8
151.07545	5.6
161.05948	1.4
163.03941	1.0
175.03926	0.7
177.05548	0.6
179.07076	3.9
181.04919	0.5
181.06387	0.6
191.07004	0.7
192.04189	0.7
198.07043	0.5
203.03400	0.6
203.06972	1.0
207.06520	6.0
211.07561	1.0
213.09148	0.8
227.06990	0.6
229.08563	0.7
232.84465	0.4
239.06995	0.7
241.08582	0.9
242.09276	0.6
252.07970	0.5
253.08549	1.0
254.09171	1.2
255.06563	1.9
257.08127	1.3
257.11731	2.5
259.09558	0.6
267.06564	0.9
269.08087	8.6
270.08914	0.9
281.08167	2.6
282.08768	0.7
283.06076	1.9
284.06766	0.8
285.07727	0.6
285.11234	0.5
292.19778	0.5
297.07617	9.9
298.08377	6.4
313.10721	100.0
314.11078	1.6
329.10205	1.1
357.09717	17.0
381.14047	0.6
393.12787	0.5
451.13760	2.4
468.10553	0.5
480.16837	0.5
486.11322	0.7
491.24881	0.6
509.21658	5.6
509.32205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01882	1.5
55.05509	0.7
57.03438	1.8
58.08975	0.2
61.02926	0.7
65.03928	0.2
67.05505	1.7
68.99788	0.5
69.03436	5.2
69.07060	0.8
70.04572	0.7
70.04974	0.4
71.04991	0.6
73.02911	0.9
73.17891	0.2
79.05495	1.6
79.62000	0.2
81.02982	0.3
81.03426	5.0
81.07060	2.1
83.04968	0.3
83.08653	0.3
85.02912	14.9
85.06564	0.5
87.00832	3.1
91.05499	1.6
93.07040	1.1
95.04961	0.7
95.08643	1.2
97.02910	2.5
97.06514	0.4
97.10195	0.3
98.97604	0.4
99.04485	1.5
101.02397	0.3
103.03919	0.4
105.01856	1.3
105.07047	1.2
107.04978	1.3
107.08576	0.9
109.02890	3.0
109.06522	0.8
109.10121	0.7
109.68259	0.3
114.13332	0.2
115.05492	0.3
117.01872	0.4
117.07011	0.5
119.08575	0.9
121.06526	0.7
121.10143	0.5
123.04427	0.9
123.08112	0.4
123.11714	0.3
125.09654	0.4
127.03930	5.0
129.01823	0.7
129.06969	0.3
131.04959	0.7
131.08563	0.8
133.10117	0.6
135.04431	0.9
135.08015	0.4
137.05974	0.5
137.09573	0.3
143.08539	0.5
145.04939	1.1
145.06506	1.9
145.10176	0.6
147.04419	0.7
147.08069	0.6
147.11761	0.3
149.02357	0.4
149.06082	0.3
149.09618	0.4
149.13184	0.3
151.03922	0.5
155.08542	0.6
157.10130	0.3
159.02913	1.4
159.04359	0.4
159.08073	0.9
159.11632	0.3
161.02327	0.6
161.06018	1.7
163.03821	0.6
165.06879	0.3
169.10092	0.5
171.11621	0.3
173.06027	2.7
173.09631	0.6
175.03944	0.4
175.07584	0.6
177.05539	0.5
177.09187	1.4
179.07013	0.2
179.08524	0.5
181.10019	0.2
182.07327	0.3
183.08055	0.4
185.05936	0.5
187.03905	0.4
187.11232	0.6
189.05513	1.0
189.09114	0.4
197.09648	0.9
200.04689	0.8
201.05505	1.3
201.09100	3.0
203.07045	9.5
204.07330	0.3
210.06833	0.4
211.13252	0.2
215.07184	0.4
215.10709	3.7
219.10201	0.7
219.13699	0.3
225.09106	1.3
231.04988	0.4
233.08096	0.6
243.10208	4.5
261.11240	100.0
262.11584	1.3
271.05963	0.4
271.09882	0.3
287.03766	0.3
289.05371	0.7
299.05511	0.5
303.12283	0.4
329.06924	0.3
347.11176	0.4
369.13501	0.3
371.15704	0.2
491.22537	1.2
509.23480	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	509.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
54.61240	0.9
55.05507	1.1
56.96568	8.5
67.05506	2.2
69.03432	2.2
69.07062	2.3
71.58326	1.1
71.95259	1.2
79.05501	2.4
81.03416	1.7
81.07055	4.1
83.04974	1.5
88.97570	1.0
91.05480	3.7
93.07034	2.3
95.04984	1.2
95.08614	2.9
98.97593	16.9
99.04461	0.9
103.05496	1.4
105.07047	2.9
107.01336	1.0
107.04950	3.2
107.08601	2.7
109.02890	1.3
109.06553	1.3
109.10197	2.4
115.05462	1.5
116.98636	9.8
117.03379	1.5
118.04155	2.2
119.08579	1.8
121.06551	2.4
121.10171	2.4
121.24593	1.0
125.06030	1.0
128.06215	1.8
131.04912	1.7
132.05716	2.9
133.02821	1.5
133.06476	3.3
133.10141	1.6
134.99652	4.0
135.04433	4.4
135.11797	1.6
141.06927	1.1
143.04933	1.4
143.08595	1.5
145.04938	1.2
145.10173	1.6
146.03654	2.0
147.04475	3.4
150.09169	2.8
151.03934	1.9
151.09476	2.2
153.01834	8.5
153.05548	1.0
155.04926	1.9
158.07292	7.1
159.11464	1.3
161.06000	2.9
162.03085	2.4
163.03903	2.3
167.06987	1.4
168.05679	1.7
169.06503	2.9
171.02922	1.7
171.08067	1.8
173.13156	1.5
175.03780	1.0
177.05464	2.6
178.06303	1.9
179.07048	3.4
183.04472	2.4
183.08075	1.6
185.05966	1.9
186.06668	6.6
193.05077	1.3
196.05219	2.5
197.05978	2.1
198.06705	1.2
199.03938	1.2
201.09143	9.5
207.06635	1.1
211.07558	1.8
212.04707	1.5
213.05464	1.2
214.06247	13.6
217.04935	1.1
218.99666	3.0
225.05496	3.9
227.07037	1.8
229.08624	3.2
237.00746	3.7
238.66631	1.0
240.07811	2.9
241.08554	1.2
242.05725	4.7
251.02281	1.6
255.06503	6.2
256.07086	2.0
257.08075	12.3
259.09683	2.7
261.00604	6.7
267.06543	1.5
268.07343	4.3
269.08145	2.2
270.05353	4.8
271.06039	4.9
272.06772	1.5
275.02188	2.6
276.03061	1.0
279.01770	6.3
281.04303	1.3
283.05948	2.2
284.06772	3.1
285.07587	74.9
286.07861	1.6
289.05228	2.3
293.03271	1.4
294.04077	2.8
296.06900	2.9
297.07562	4.1
299.05444	3.6
299.08929	2.3
300.06308	3.6
301.06860	1.1
309.07562	2.1
311.04947	1.4
311.09137	1.6
313.07083	95.3
314.07608	3.6
315.08600	22.7
329.06436	1.5
381.58536	1.2
417.05930	1.3
449.18951	1.2
464.24652	1.2
465.14368	1.1
465.24347	1.3
467.10043	1.8
477.10284	1.3
479.13510	6.5
491.13379	36.6
491.20752	2.3
509.14783	100.0
509.22946	8.0
510.14572	2.4
527.12280	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	509.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
54.61240	0.9
55.05507	1.1
56.96568	8.5
67.05506	2.2
69.03432	2.2
69.07062	2.3
71.58326	1.1
71.95259	1.2
79.05501	2.4
81.03416	1.7
81.07055	4.1
83.04974	1.5
88.97570	1.0
91.05480	3.7
93.07034	2.3
95.04984	1.2
95.08614	2.9
98.97593	16.9
99.04461	0.9
103.05496	1.4
105.07047	2.9
107.01336	1.0
107.04950	3.2
107.08601	2.7
109.02890	1.3
109.06553	1.3
109.10197	2.4
115.05462	1.5
116.98636	9.8
117.03379	1.5
118.04155	2.2
119.08579	1.8
121.06551	2.4
121.10171	2.4
121.24593	1.0
125.06030	1.0
128.06215	1.8
131.04912	1.7
132.05716	2.9
133.02821	1.5
133.06476	3.3
133.10141	1.6
134.99652	4.0
135.04433	4.4
135.11797	1.6
141.06927	1.1
143.04933	1.4
143.08595	1.5
145.04938	1.2
145.10173	1.6
146.03654	2.0
147.04475	3.4
150.09169	2.8
151.03934	1.9
151.09476	2.2
153.01834	8.5
153.05548	1.0
155.04926	1.9
158.07292	7.1
159.11464	1.3
161.06000	2.9
162.03085	2.4
163.03903	2.3
167.06987	1.4
168.05679	1.7
169.06503	2.9
171.02922	1.7
171.08067	1.8
173.13156	1.5
175.03780	1.0
177.05464	2.6
178.06303	1.9
179.07048	3.4
183.04472	2.4
183.08075	1.6
185.05966	1.9
186.06668	6.6
193.05077	1.3
196.05219	2.5
197.05978	2.1
198.06705	1.2
199.03938	1.2
201.09143	9.5
207.06635	1.1
211.07558	1.8
212.04707	1.5
213.05464	1.2
214.06247	13.6
217.04935	1.1
218.99666	3.0
225.05496	3.9
227.07037	1.8
229.08624	3.2
237.00746	3.7
238.66631	1.0
240.07811	2.9
241.08554	1.2
242.05725	4.7
251.02281	1.6
255.06503	6.2
256.07086	2.0
257.08075	12.3
259.09683	2.7
261.00604	6.7
267.06543	1.5
268.07343	4.3
269.08145	2.2
270.05353	4.8
271.06039	4.9
272.06772	1.5
275.02188	2.6
276.03061	1.0
279.01770	6.3
281.04303	1.3
283.05948	2.2
284.06772	3.1
285.07587	74.9
286.07861	1.6
289.05228	2.3
293.03271	1.4
294.04077	2.8
296.06900	2.9
297.07562	4.1
299.05444	3.6
299.08929	2.3
300.06308	3.6
301.06860	1.1
309.07562	2.1
311.04947	1.4
311.09137	1.6
313.07083	95.3
314.07608	3.6
315.08600	22.7
329.06436	1.5
381.58536	1.2
417.05930	1.3
449.18951	1.2
464.24652	1.2
465.14368	1.1
465.24347	1.3
467.10043	1.8
477.10284	1.3
479.13510	6.5
491.13379	36.6
491.20752	2.3
509.14783	100.0
509.22946	8.0
510.14572	2.4
527.12280	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	509.1446
Annotation	Picramnioside E
Peak:m/z	Relative Intensity
53.03945	0.8
53.47150	0.3
55.01857	0.5
65.03890	0.3
65.58879	0.3
69.07057	0.4
69.70441	0.3
69.99924	1.0
70.00337	0.7
79.05453	1.0
81.03396	0.6
81.07034	0.7
83.37782	0.3
85.02882	0.4
89.03915	2.4
91.05477	2.0
93.07027	1.2
95.01323	0.8
95.04953	1.0
95.08613	0.4
98.21401	0.4
102.04681	0.9
103.05466	3.9
105.03323	0.3
105.07017	1.8
106.04141	0.5
106.07484	0.3
107.04909	0.6
107.08537	0.5
115.05424	1.2
117.03391	3.8
118.04164	2.7
119.04915	0.7
121.06508	2.9
121.63072	0.3
123.00806	2.6
123.04443	0.4
127.05405	0.4
128.06219	0.6
130.04175	2.1
131.04938	3.7
132.05679	1.1
133.02855	0.5
133.06471	1.3
134.03639	4.0
135.04369	0.7
135.08101	0.4
135.11743	0.4
137.02328	0.5
140.04706	0.4
141.07066	0.4
144.05658	1.1
145.02858	3.1
145.06453	0.9
147.04372	1.0
148.05228	1.5
149.05981	3.4
151.00316	0.4
151.03836	0.5
152.01065	3.1
153.01804	1.3
155.03741	0.5
155.04932	8.8
155.06056	0.8
156.05685	0.7
157.06381	0.4
159.04396	0.4
160.96359	0.4
161.05984	2.6
163.03883	0.7
163.07446	0.4
165.08992	0.4
166.06110	0.4
167.04930	0.4
167.07039	1.8
168.05624	0.5
169.06410	0.4
170.02095	0.6
171.04417	1.5
172.05193	1.8
173.05984	0.7
175.04019	0.3
176.04697	3.7
177.05472	2.7
178.06200	0.7
179.07088	0.4
181.06517	0.3
182.09312	0.4
183.02802	0.2
183.04410	6.6
184.05176	1.0
185.05975	1.1
187.03850	0.3
187.07579	2.8
191.07039	5.6
192.07832	1.1
193.08586	1.9
196.05197	0.5
197.05914	0.4
199.04024	0.4
200.04698	3.0
201.05481	0.7
202.06218	0.4
210.03188	0.4
210.08900	0.4
211.03911	5.8
212.04703	1.1
213.05478	1.4
225.05452	2.3
228.04214	2.3
229.04948	0.9
230.05592	0.7
239.03398	6.7
240.04152	1.2
241.04993	3.3
243.06537	0.5
245.08011	0.9
251.03598	0.3
253.05090	0.7
255.02841	1.0
255.06364	0.4
256.03671	12.1
256.07248	1.3
257.04263	0.7
267.02850	0.4
268.03690	1.2
269.04507	2.7
271.06015	100.0
272.06433	1.4
284.03366	0.4
285.03970	1.5
285.07419	0.7
286.04752	4.3
297.07498	0.7
299.05511	46.2
300.06256	10.0
301.07065	19.4
311.05621	0.7
355.08221	0.4
461.09015	0.4
479.13492	5.6
491.13388	44.7
492.13882	1.3
509.14444	62.7
510.15085	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
55.05479	0.4
56.19862	0.4
64.72617	0.3
65.03922	0.4
67.05479	1.4
69.03382	0.4
69.07050	0.5
70.12586	1.5
77.03924	0.4
78.83697	0.3
79.05461	1.0
81.03378	0.3
81.07021	1.1
83.04939	0.5
85.02859	0.5
85.29906	0.3
89.03914	1.9
91.05503	2.3
93.07013	1.5
95.01306	0.7
95.04941	0.9
95.08612	0.5
103.05468	2.5
105.07047	1.6
106.11296	0.3
107.04942	0.7
107.08572	1.0
109.02836	0.3
109.06481	0.4
109.10145	0.5
109.59607	0.3
110.48086	0.3
115.05478	0.4
117.03386	4.4
118.04135	1.0
119.04929	0.8
119.08599	0.7
121.06514	2.0
121.10107	0.5
123.00784	2.1
127.05444	0.4
130.04106	0.8
131.04935	2.2
132.05690	0.7
133.06471	1.3
133.10178	0.4
134.03636	3.7
135.04326	0.4
139.05421	0.5
144.05721	0.8
145.02864	2.7
145.06448	0.8
146.03539	0.6
147.04388	1.1
148.05136	1.2
148.60646	0.3
149.05992	1.7
150.09103	0.6
151.03868	0.6
151.07506	0.6
152.00998	1.8
153.01811	1.1
153.05495	0.5
155.04924	7.4
155.06079	0.6
156.05557	0.5
159.04375	0.4
159.11671	0.5
160.05125	0.5
161.05981	2.5
163.03973	0.4
166.06290	0.3
167.07027	1.5
171.04361	1.2
172.05164	1.0
173.05927	0.5
175.03868	0.8
176.04686	1.4
177.05544	1.8
178.06282	0.4
179.06981	0.4
183.04414	5.2
184.05148	0.9
185.05986	0.8
187.07541	2.4
191.07013	3.0
192.07767	0.8
193.08580	1.4
196.05141	0.4
197.05954	0.4
199.07477	0.3
200.04666	3.8
201.05481	0.4
205.04947	1.1
211.03876	5.2
212.04652	1.3
213.05418	0.7
215.14275	0.3
225.05527	1.8
228.04245	2.9
229.04950	0.8
230.05724	0.8
239.03389	6.7
240.04146	1.3
241.05008	2.4
243.06534	0.7
251.03433	0.5
253.05016	0.5
255.02901	1.2
255.06357	0.5
256.03687	11.7
256.07214	0.9
257.04318	0.6
257.08762	0.4
258.05283	0.5
261.11295	0.8
268.03604	0.6
269.04529	1.8
270.05145	0.4
271.06018	95.3
272.06354	1.4
284.03299	0.4
285.04044	0.9
285.07376	0.6
286.04651	3.0
289.05289	0.9
297.07626	1.0
299.05508	36.0
300.06241	6.5
301.07071	11.2
309.07492	0.6
311.05475	0.6
316.15012	0.4
325.03397	0.4
325.07306	0.5
341.06625	1.3
431.11136	0.4
433.08862	0.7
435.10904	0.7
447.10938	0.5
459.10822	0.9
476.11487	0.4
479.13358	3.5
491.13367	9.0
491.21185	0.6
491.29318	0.4
509.14471	100.0
510.14697	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	509.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30414	0.6
53.03951	1.0
55.01865	1.9
55.05509	1.4
59.82627	0.7
60.55795	0.6
67.05496	2.1
68.78046	0.6
69.03430	1.4
69.07061	2.5
69.57952	2.4
69.58367	1.6
71.04990	1.4
75.06247	0.7
79.05491	3.5
81.07073	4.4
83.04950	0.9
83.08624	0.8
84.18816	0.6
85.02921	1.4
89.03911	1.4
90.36015	0.6
91.05497	3.8
93.07056	4.3
95.04971	2.8
95.08604	3.7
97.06551	1.6
97.10182	1.4
103.05465	2.8
105.07026	2.7
107.04959	2.2
107.07382	0.7
107.08588	2.8
108.08120	2.1
109.06518	2.1
109.10176	2.1
117.03355	3.3
117.07036	1.1
118.04180	1.5
119.04979	0.8
119.08580	1.8
121.06517	3.1
121.10138	1.6
123.00766	1.5
123.04411	0.9
125.09669	0.8
127.03905	0.7
129.06984	0.9
130.04173	1.4
131.04938	4.1
131.08591	0.9
132.05688	1.6
133.10143	1.3
134.03641	2.6
135.04456	1.1
135.08089	0.6
135.11702	1.1
137.05934	1.1
143.08524	0.8
144.05707	0.9
145.02831	2.4
145.06528	0.8
145.10112	1.0
146.03654	0.8
147.04446	1.1
147.08038	0.8
147.11714	0.9
148.05206	1.0
149.06003	1.9
149.76064	0.6
150.09183	5.9
151.09464	2.9
152.01027	2.6
153.01831	1.7
153.05499	1.1
153.08971	0.8
155.04898	6.6
159.11748	1.0
161.05998	1.9
163.03946	0.7
165.09108	0.6
167.04909	0.9
167.07050	2.3
171.04433	0.9
172.05309	0.7
173.13307	0.8
176.04726	2.2
177.05548	3.3
178.06242	1.3
179.06953	1.4
180.07857	0.7
181.06581	0.6
183.04425	5.5
184.05190	1.2
187.07510	2.5
191.07066	4.0
192.07739	1.3
192.95589	0.6
200.04686	5.1
201.05498	0.9
204.06540	1.0
205.12189	0.9
211.03972	5.2
212.04741	1.3
213.05507	0.7
215.06996	0.7
219.13795	0.8
225.05473	2.0
228.04143	2.8
229.04956	1.1
239.03413	5.1
240.04044	2.2
241.04861	2.6
243.06465	1.2
245.06223	0.9
253.05035	0.9
255.06606	1.4
256.03720	9.1
256.07312	1.5
257.04315	0.8
266.10046	0.9
267.02954	0.9
268.03867	1.1
269.04324	3.2
270.04877	1.3
271.06039	82.3
272.06448	1.2
284.03183	0.7
285.04050	1.0
285.07547	2.1
286.04706	3.9
289.05301	11.0
293.17691	0.6
296.11124	0.7
297.07288	1.0
298.04303	0.9
299.05515	28.3
300.06277	7.8
301.07077	14.2
309.07608	1.1
309.12247	1.3
311.05554	0.8
329.06540	1.0
339.09137	0.9
341.06644	0.8
367.22748	1.3
385.23764	1.2
409.12869	0.7
416.09177	0.9
449.19037	1.3
459.10477	1.2
461.08521	0.9
465.24405	1.8
477.18387	1.0
478.19690	1.3
479.13483	3.1
491.13284	17.0
491.21069	1.3
491.29135	0.8
509.14325	100.0
509.23334	21.5
510.14471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31208	3.3
52.55780	2.7
53.03942	10.8
55.01870	8.0
55.05518	5.8
57.03432	4.7
61.02914	7.1
67.05499	9.2
67.35928	2.7
68.99775	3.8
69.03436	38.1
69.07067	12.7
71.04996	8.3
71.56691	4.6
73.02943	6.4
79.05486	8.4
81.03423	42.2
81.07059	20.3
85.02914	100.0
85.06512	6.7
87.00840	39.2
91.03986	3.2
91.05479	9.0
93.07066	11.2
95.04964	16.5
95.08616	28.1
97.02907	41.7
97.06536	4.4
99.04463	20.2
99.08115	4.7
105.01882	46.8
105.07028	5.4
107.08613	16.7
109.02885	46.6
109.06513	9.0
109.10175	47.0
111.08106	5.0
119.08597	8.5
121.06538	6.4
121.10159	9.1
123.11702	22.4
125.06000	8.1
125.09660	2.9
127.03925	77.3
129.01836	7.2
133.10072	4.7
135.08212	3.5
135.09190	12.2
135.11673	6.6
137.05984	13.0
145.04955	46.4
147.02960	4.6
147.11670	10.9
149.13318	6.7
151.07533	7.8
153.12761	98.0
159.02882	21.2
165.12785	45.9
189.12775	10.0
207.13820	67.2
225.14845	39.1
231.05063	22.9
249.06096	7.7
259.14529	4.7
260.14822	5.5
271.05969	5.5
289.05432	3.3
346.10034	9.5
448.11139	14.2
455.19147	6.9
473.20172	15.2
508.13995	3.6
508.21844	13.1
509.14606	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1446
Annotation	Picramnioside E
Peak:m/z	Relative Intensity
53.03911	0.4
65.03946	0.3
69.32158	2.3
79.05481	0.4
89.03927	1.9
91.05479	1.8
93.07025	0.8
95.01303	0.5
95.04942	0.6
102.04630	1.0
103.05459	4.6
105.03369	0.4
105.07027	1.4
107.04919	0.5
115.05414	0.6
117.03380	4.4
118.04148	2.1
119.04948	0.5
121.02868	0.3
121.06508	3.0
123.00806	2.7
123.04413	0.4
127.05408	0.5
129.07033	0.4
130.04137	1.9
131.04027	0.4
131.04929	4.4
131.56345	0.2
132.05681	1.2
133.02864	0.3
133.06448	1.0
134.03638	3.3
135.04399	0.5
137.06000	0.3
139.05406	0.4
144.05685	0.5
145.02863	3.1
145.06445	0.8
146.03584	0.9
147.04367	0.9
148.05183	1.7
149.05978	2.9
152.01045	2.7
153.01817	1.7
155.04924	7.9
155.06052	0.7
157.06427	0.4
158.03551	0.3
159.04381	0.5
160.05244	0.7
161.02242	0.3
161.06015	1.9
162.03082	0.4
163.07507	0.4
167.04939	0.3
167.07040	1.4
168.05672	0.4
169.06479	0.6
170.02104	0.3
171.04416	1.3
172.05161	1.5
173.05977	0.7
175.03862	0.7
176.04713	2.4
177.05463	2.7
178.06226	0.8
183.04413	6.3
184.05171	1.1
185.05930	1.4
187.07576	2.6
191.07031	5.1
192.07813	0.7
193.08571	2.4
195.04323	0.3
196.05228	0.4
197.05943	0.7
199.03925	0.3
200.04688	2.7
201.05345	0.6
202.06274	0.5
210.08878	0.4
211.03883	5.6
212.04771	1.6
213.05495	1.2
224.04655	0.4
225.05478	1.6
228.04134	2.5
229.04982	0.9
230.05734	0.8
239.03387	5.9
240.04115	1.4
240.52255	0.3
241.04907	2.7
243.06427	0.6
245.08044	0.8
252.04204	0.3
253.04877	0.5
255.02922	0.8
256.03677	11.4
256.07281	1.5
257.04416	1.0
258.05383	0.4
267.02905	0.5
268.03601	1.0
269.04462	1.9
270.05246	0.5
271.06009	100.0
272.06378	1.3
282.05377	0.3
284.06863	0.6
285.03973	1.6
285.07578	0.8
286.04745	4.2
297.07574	0.5
299.05499	43.7
300.06271	9.0
301.07068	20.1
311.05396	0.3
329.06604	1.0
393.21191	0.3
476.10709	0.4
479.13428	6.0
491.13388	43.2
492.13712	0.7
509.14459	61.5
510.14502	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	508.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01863	1.3
55.05494	1.3
56.86221	0.9
57.03416	1.0
62.25899	1.0
67.05495	1.8
69.03421	2.9
69.07082	1.2
70.06583	2.0
71.08511	2.1
72.08157	2.0
74.08624	1.1
79.05492	2.9
81.03400	3.4
81.07037	2.3
82.06530	1.1
85.02914	5.2
87.00823	1.8
91.05495	3.1
93.07037	2.8
94.06614	1.0
94.80660	1.0
95.04955	3.2
95.08604	2.6
96.08058	1.1
97.02888	2.5
97.06549	1.1
99.04457	2.0
103.05450	1.0
105.07039	5.1
107.04969	1.4
107.08628	3.1
108.08088	1.5
109.02893	3.1
109.06493	1.2
109.10120	1.3
119.08567	1.7
120.08025	1.3
121.06513	3.5
121.10140	3.2
123.08109	2.3
124.07584	2.5
127.03918	2.4
131.08563	1.4
133.02797	1.2
134.06029	22.8
135.08055	3.0
137.05988	3.7
138.05539	1.6
138.06656	1.4
142.85823	1.2
145.02870	2.8
148.05211	11.9
149.05995	5.5
149.08154	1.1
149.09621	1.9
150.06772	2.2
151.07578	2.9
152.07079	48.5
161.13330	2.0
163.07535	4.4
164.08353	12.9
164.10593	1.5
165.05469	4.4
165.09108	2.9
166.06326	1.8
166.85985	1.1
170.08138	45.3
171.11456	1.0
176.08334	3.1
177.05476	3.7
179.07008	2.3
179.47253	1.2
180.07829	14.1
181.08600	100.0
189.12694	1.5
195.10181	64.4
207.10170	4.6
207.13635	1.4
222.43515	1.4
225.11232	97.5
225.14833	5.1
226.11630	1.4
249.11281	1.8
325.79559	1.0
333.13235	1.2
347.12283	4.8
508.30566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.7
53.03933	2.0
65.03925	3.3
67.05483	0.8
68.85641	0.7
69.03432	1.6
71.15945	1.3
72.08161	6.5
72.08543	1.0
73.02909	0.8
79.05499	7.2
80.05010	1.2
81.03418	5.2
81.05778	2.7
81.07050	1.1
82.06592	0.9
83.04977	1.8
85.02895	2.7
89.03923	6.0
91.05487	2.0
92.05008	6.5
94.06583	1.8
95.04976	1.7
96.08143	7.1
97.02867	0.9
106.06562	42.1
107.08537	1.0
108.08125	9.7
109.02850	1.9
109.05273	1.2
117.03395	18.8
121.06458	0.9
123.06799	6.0
124.07607	27.8
130.06537	0.8
134.03703	1.2
134.06023	24.9
135.04395	1.3
136.07576	2.4
137.05981	2.0
145.02855	52.5
149.05991	7.2
151.03938	1.2
151.07524	1.2
152.07077	70.2
153.07600	0.8
156.96432	0.8
167.06931	0.9
170.08134	50.7
177.05481	100.0
178.05765	1.0
186.05476	1.3
204.06630	0.9
209.11827	1.6
225.11298	1.6
225.14824	1.4
229.01514	0.7
250.08734	0.9
254.22112	0.8
267.09036	2.2
275.82306	0.7
282.11221	2.8
283.11655	1.1
292.22656	0.7
310.10742	2.9
314.12387	3.3
321.09705	3.7
328.11960	1.7
332.13348	8.3
339.10803	3.6
490.17145	21.9
508.18204	40.1
508.29767	1.7
509.18646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01866	0.7
55.05526	1.4
56.92174	0.6
57.03429	1.1
61.33061	0.6
63.02385	0.8
65.03938	1.9
67.05498	1.6
69.03434	3.3
69.07057	0.8
69.55776	0.6
70.06596	1.6
71.04975	1.1
71.54025	0.7
72.08161	43.8
79.05495	7.0
80.05003	0.8
81.03430	4.9
81.05800	2.8
81.07059	1.0
82.06596	0.9
83.04995	1.3
85.02906	5.0
87.00837	0.7
88.02190	1.6
89.03915	4.9
91.05499	1.3
92.04999	6.4
93.07035	1.3
94.06590	0.7
95.04999	3.2
96.08139	6.4
97.02898	1.6
99.04441	2.4
105.07028	1.7
106.06560	44.0
107.04964	1.0
107.08616	1.1
108.08114	10.0
109.02878	1.4
109.05281	1.4
109.06534	1.0
109.10098	0.9
110.06024	0.7
117.03381	17.7
119.08593	1.6
121.06523	2.1
121.10191	0.9
122.06070	0.8
123.06808	4.0
123.08073	2.0
124.07602	25.7
127.03911	2.2
134.02751	0.9
134.03699	1.6
134.06026	26.7
135.04402	0.9
136.07553	2.8
137.05984	1.2
138.05499	1.7
140.06987	0.7
145.02855	49.4
145.10114	0.9
147.11714	1.2
148.07643	0.8
149.05954	3.7
149.09541	0.7
151.03882	1.6
151.07539	1.6
152.07079	68.9
153.07680	0.6
161.13333	1.0
164.10677	3.1
165.09125	1.1
165.11510	1.3
165.12758	0.9
167.07042	0.9
170.08133	48.8
177.05476	100.0
178.05859	0.9
186.05479	1.3
189.12700	0.9
190.12410	0.9
191.23590	0.6
193.08597	0.7
195.06540	0.8
204.06654	0.8
207.13806	2.0
211.53221	0.6
222.09061	0.7
225.11227	2.3
225.14902	0.9
239.11159	1.2
241.65538	0.7
250.08772	1.3
251.17435	0.7
252.12466	1.4
267.09061	1.3
282.11288	1.9
283.11661	0.8
297.18143	2.4
310.10754	2.5
314.12344	1.5
321.09747	4.0
328.11874	1.7
328.15839	2.4
332.13388	8.2
339.10876	2.4
346.16791	1.9
403.12695	0.7
445.16055	1.4
454.83438	0.6
490.17072	20.2
508.18076	31.9
508.29440	2.2
509.18112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1501
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
50.11833	0.2
53.51813	0.2
60.99603	0.2
61.86912	0.2
63.05897	0.2
67.05497	0.3
70.89056	0.3
72.08154	0.2
81.07072	0.3
85.02892	0.3
93.07053	0.2
99.04459	0.2
107.04958	0.3
118.04148	0.3
121.02871	0.3
123.04430	0.5
129.07004	0.2
134.79457	0.2
137.02328	2.0
138.05437	0.2
141.07008	0.2
141.84209	0.2
146.03677	0.3
148.05171	0.3
149.02385	0.3
149.06017	0.3
151.03969	0.3
163.04008	1.0
164.04694	1.4
165.05486	0.2
167.03365	0.2
169.06700	0.2
171.04497	0.2
174.03111	0.3
175.03961	0.2
175.51376	0.2
177.01819	0.3
179.03412	0.7
180.74492	0.2
183.08026	0.2
184.05258	0.2
187.03902	0.3
189.24849	0.2
192.04182	1.2
193.05029	0.7
194.05771	0.7
195.02956	0.2
197.05971	0.6
198.06805	0.3
199.03926	1.0
201.05511	0.3
201.09100	0.5
202.02657	0.3
203.03532	0.3
207.02901	0.4
212.04582	0.4
213.05431	1.0
214.06239	0.5
217.05031	0.2
220.03708	4.1
223.02362	1.0
225.05547	1.9
227.03505	1.3
227.07036	1.0
228.04076	0.3
229.08624	1.2
231.06543	1.4
239.03381	0.5
240.04253	0.2
241.04977	1.6
242.05878	1.3
243.06557	0.6
245.04523	0.3
253.04962	1.0
254.05809	0.6
255.02911	1.8
255.06497	0.7
256.07425	0.6
257.08099	2.2
259.05975	2.3
267.02875	0.7
269.04486	3.5
270.05182	1.1
270.07755	0.4
271.06165	0.3
281.04459	1.5
282.05222	0.9
283.02405	2.4
283.05603	0.5
284.03137	0.7
284.06833	1.1
285.07608	8.0
286.08478	0.3
287.05527	11.9
297.03915	0.9
298.04547	1.1
299.05502	4.3
312.06329	1.4
313.07077	2.9
315.04996	22.8
316.05618	0.5
320.15982	0.2
330.07343	10.7
331.07529	0.3
345.09702	100.0
346.10117	1.8
507.14813	0.7
507.22446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01882	0.4
57.03431	0.7
64.85587	0.4
67.15014	0.4
69.03433	3.4
70.67917	0.4
70.68247	1.1
73.02919	0.6
75.31786	0.3
81.03430	2.0
85.02904	4.9
87.00847	0.8
87.04469	0.8
97.02902	2.0
98.21400	0.5
99.04465	0.7
105.01861	0.8
109.02884	2.6
115.03906	0.5
127.03925	100.0
127.55072	0.4
128.04279	0.4
145.04987	1.5
159.02901	1.2
172.94008	0.4
231.04863	0.6
261.21350	0.4
298.70023	0.4
375.09216	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	507.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11833	0.2
53.51813	0.2
60.99603	0.2
61.86912	0.2
63.05897	0.2
67.05497	0.3
70.89056	0.3
72.08154	0.2
81.07072	0.3
85.02892	0.3
93.07053	0.2
99.04459	0.2
107.04958	0.3
118.04148	0.3
121.02871	0.3
123.04430	0.5
129.07004	0.2
134.79457	0.2
137.02328	2.0
138.05437	0.2
141.07008	0.2
141.84209	0.2
146.03677	0.3
148.05171	0.3
149.02385	0.3
149.06017	0.3
151.03969	0.3
163.04008	1.0
164.04694	1.4
165.05486	0.2
167.03365	0.2
169.06700	0.2
171.04497	0.2
174.03111	0.3
175.03961	0.2
175.51376	0.2
177.01819	0.3
179.03412	0.7
180.74492	0.2
183.08026	0.2
184.05258	0.2
187.03902	0.3
189.24849	0.2
192.04182	1.2
193.05029	0.7
194.05771	0.7
195.02956	0.2
197.05971	0.6
198.06805	0.3
199.03926	1.0
201.05511	0.3
201.09100	0.5
202.02657	0.3
203.03532	0.3
207.02901	0.4
212.04582	0.4
213.05431	1.0
214.06239	0.5
217.05031	0.2
220.03708	4.1
223.02362	1.0
225.05547	1.9
227.03505	1.3
227.07036	1.0
228.04076	0.3
229.08624	1.2
231.06543	1.4
239.03381	0.5
240.04253	0.2
241.04977	1.6
242.05878	1.3
243.06557	0.6
245.04523	0.3
253.04962	1.0
254.05809	0.6
255.02911	1.8
255.06497	0.7
256.07425	0.6
257.08099	2.2
259.05975	2.3
267.02875	0.7
269.04486	3.5
270.05182	1.1
270.07755	0.4
271.06165	0.3
281.04459	1.5
282.05222	0.9
283.02405	2.4
283.05603	0.5
284.03137	0.7
284.06833	1.1
285.07608	8.0
286.08478	0.3
287.05527	11.9
297.03915	0.9
298.04547	1.1
299.05502	4.3
312.06329	1.4
313.07077	2.9
315.04996	22.8
316.05618	0.5
320.15982	0.2
330.07343	10.7
331.07529	0.3
345.09702	100.0
346.10117	1.8
507.14813	0.7
507.22446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01863	0.7
55.05487	0.4
58.03223	0.3
67.05483	1.1
69.03414	0.7
69.07043	0.5
71.04986	0.3
71.58141	0.3
79.05494	1.5
81.03381	0.8
81.07073	1.5
83.08606	0.3
85.02895	0.8
89.03408	0.3
89.03910	4.4
91.04971	0.5
91.05487	5.8
93.07047	1.6
95.01295	0.4
95.04932	1.0
95.08606	1.7
97.02873	0.7
98.97534	0.4
99.04446	0.3
99.08104	0.4
102.04664	0.6
103.05463	4.8
105.04459	0.4
105.07036	2.4
107.01357	0.4
107.04933	1.1
107.08592	0.7
109.06493	0.4
109.10120	1.0
109.27156	0.4
115.05412	0.7
117.03390	10.6
117.07005	0.5
118.04162	2.8
119.04930	0.9
119.08575	0.8
121.06520	3.9
121.10129	0.8
123.00786	0.7
123.04411	0.7
123.08051	0.3
127.03911	0.5
127.05403	0.8
128.06209	0.8
129.06995	1.2
130.04161	2.2
131.04948	5.7
131.08488	0.4
132.05679	0.6
133.02855	0.8
133.06506	0.9
133.10056	0.4
134.03633	0.3
135.04396	0.6
135.11514	0.3
137.01041	0.3
137.05937	0.8
139.05426	0.6
145.02864	3.7
145.06468	1.2
145.10057	0.5
146.03590	0.9
147.04401	1.3
148.05153	1.2
149.06020	2.5
149.09589	0.5
150.09186	0.5
150.13486	0.3
151.03923	0.5
154.06213	0.4
155.04927	15.3
155.06023	0.8
155.40703	0.3
156.05602	0.7
157.06474	0.8
157.10162	0.4
158.03670	0.3
159.04424	0.8
161.05959	2.1
162.03145	0.4
163.03899	1.0
163.07518	0.6
165.09117	1.3
167.04904	0.8
167.07069	1.9
168.05719	0.9
171.04428	1.9
171.11693	0.3
173.06003	0.6
175.03928	0.8
176.04718	3.1
177.05489	2.1
178.06226	0.6
181.04907	0.4
183.04420	12.2
184.05058	0.9
185.05988	4.4
191.07037	5.6
192.07787	1.1
193.04988	0.9
193.08607	2.7
195.04414	1.0
196.05150	0.9
197.06044	0.4
199.00897	0.3
209.07895	0.4
210.08939	0.6
211.03905	6.7
212.04675	2.4
213.05467	1.5
223.03935	1.2
224.04718	1.1
225.05472	0.6
237.05583	0.3
239.03412	16.2
240.04138	1.9
241.04953	6.2
241.07379	0.4
243.06546	1.0
253.04976	1.0
254.05803	2.5
259.06067	0.4
265.05005	0.5
267.02951	0.7
268.03592	1.6
269.04462	100.0
270.04871	2.2
282.05029	0.4
283.06027	0.6
295.06055	0.6
297.03958	47.6
298.04706	8.8
299.05505	19.8
309.03909	0.3
327.20502	0.3
347.94113	0.4
357.06000	0.5
474.09338	0.6
477.11850	5.9
489.11826	45.1
490.12152	1.7
507.12918	51.6
508.13330	1.5
508.19977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03945	1.2
53.71096	0.5
55.01854	0.7
55.05495	0.8
56.96572	0.6
62.52959	0.5
62.96177	0.4
65.03926	2.1
67.05490	1.8
69.03423	1.0
69.07069	0.9
71.58309	0.5
71.58704	0.6
75.02334	0.6
78.04707	0.6
79.05502	3.9
81.02897	0.5
81.03413	1.6
81.07065	2.4
82.04230	0.9
83.04948	0.7
83.08612	0.5
85.02884	0.9
85.06580	0.6
91.05477	1.9
93.03416	1.1
93.07037	1.9
95.04969	1.8
95.08594	1.3
97.02901	1.0
98.97598	0.7
105.03419	1.2
105.07041	1.2
107.04964	1.7
107.08597	1.6
109.02921	1.1
109.06533	1.1
109.10163	1.5
110.03680	2.9
111.04404	0.7
111.08070	0.5
117.03397	0.6
119.08591	1.0
121.02878	0.5
121.06494	1.0
121.10133	0.9
123.04415	1.2
125.06020	1.9
127.03918	0.8
129.06961	0.8
131.05013	0.6
133.02864	1.3
133.10086	0.8
134.03673	1.2
135.04431	0.9
135.11699	0.5
137.05963	2.4
137.09613	1.3
138.03130	16.1
140.45287	0.5
143.04904	0.7
145.10146	0.8
147.04408	0.9
150.03114	1.2
151.03932	0.8
152.04710	0.5
153.05475	100.0
154.05858	0.6
161.05927	0.8
162.03137	5.9
163.03865	0.8
165.05499	4.3
165.06953	1.1
165.09142	6.1
167.03455	1.4
167.07057	8.3
171.04370	0.7
173.06027	0.5
173.09631	0.6
177.05478	26.8
178.05785	0.5
181.04977	2.5
181.06433	0.8
187.04057	0.5
191.07027	0.9
192.05894	0.7
193.04979	3.5
196.05136	0.6
199.04013	0.8
199.07602	0.5
201.05511	0.5
203.07018	1.0
205.04939	1.1
205.06631	0.6
207.04646	0.6
207.06613	1.8
210.06815	0.6
212.04701	0.6
213.05547	0.6
214.02547	0.6
215.06874	0.6
216.04182	0.8
217.05035	0.6
221.06305	0.5
222.06944	0.6
223.03857	0.6
224.04669	0.6
225.05449	0.6
226.06268	0.6
227.03490	0.8
228.04053	0.5
231.06554	0.9
232.03571	0.7
233.06081	0.8
236.04713	1.5
237.05476	1.8
239.03464	0.8
241.04910	1.1
243.06483	0.9
247.06107	1.0
249.05478	0.8
250.06238	1.6
251.06985	1.2
252.04266	0.6
253.05095	1.1
254.05605	1.1
255.02983	1.5
255.06419	1.1
259.05978	1.3
264.04236	1.3
265.05035	2.0
265.08603	0.6
266.05576	0.7
267.06339	0.6
268.03851	1.1
268.07401	0.7
269.04471	3.1
269.07950	0.9
270.05328	1.2
271.05881	0.8
278.05768	2.9
279.03720	0.5
279.06326	2.4
280.03934	0.5
281.04520	2.0
282.05270	1.8
283.02429	1.9
283.06006	1.1
285.03915	1.3
285.07861	0.6
293.04449	1.3
294.05273	1.8
295.06161	1.5
296.06689	0.9
297.04028	1.5
297.07501	1.3
298.04727	13.4
299.05338	3.2
300.06253	1.5
301.07379	1.8
306.05194	1.4
307.06021	1.4
307.15256	0.5
309.04068	1.0
309.07706	0.8
310.04727	2.8
311.05334	1.3
312.07462	0.5
313.07324	1.0
315.08905	1.0
316.07248	0.7
322.04645	0.8
324.06342	1.5
325.07141	5.0
328.05988	0.6
329.07996	1.5
330.08478	0.7
331.08862	0.5
337.07745	0.6
339.08859	4.3
340.06372	1.5
341.07040	1.8
343.08481	5.4
344.06766	0.7
344.10587	0.6
345.09814	1.8
347.09219	1.2
349.06985	1.3
352.05765	1.1
353.06735	1.2
355.08368	7.1
356.06616	0.6
357.07303	1.5
358.08328	1.0
359.09106	0.7
360.06161	1.0
367.08289	9.8
368.06558	1.1
369.07507	0.8
370.04395	0.6
371.05508	1.3
372.10236	0.8
373.68463	0.5
374.07800	0.6
375.08627	1.8
381.09369	0.9
381.13818	0.6
382.08670	0.6
383.09372	1.1
385.06998	2.4
386.07956	1.5
387.08627	1.5
389.06403	0.6
389.10742	0.6
396.06015	0.8
397.07043	1.2
400.09604	1.4
401.10391	1.2
403.08176	1.9
409.12747	1.3
410.07870	0.9
411.08932	0.6
413.06528	2.1
414.07458	2.0
415.08124	1.3
416.05142	0.6
418.10434	1.5
419.11194	1.1
428.08884	1.8
429.10156	2.7
431.07797	3.1
432.08371	0.9
441.06244	0.6
443.07156	0.9
446.10071	2.4
447.10825	2.1
449.08664	1.7
456.08344	0.7
457.09091	2.2
459.07227	2.2
460.08176	0.6
461.12759	4.0
464.11035	1.3
467.79471	0.6
471.10834	1.1
474.09457	2.2
475.10175	1.1
477.08368	0.6
479.13455	6.8
489.11728	13.3
492.10287	2.6
507.12903	42.6
507.20612	2.0
508.13351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
54.71776	0.4
55.01846	0.4
65.03885	0.4
67.05479	0.7
67.15339	0.4
69.03429	0.7
69.07060	0.6
70.21331	1.1
70.21731	0.9
73.40192	0.4
79.05467	1.6
81.03410	0.5
81.07041	1.1
85.02895	0.8
91.05483	2.5
93.07034	0.7
95.01309	0.9
95.04934	1.9
95.08590	0.9
95.76157	0.4
97.02928	0.6
97.06504	0.5
99.04453	0.5
99.20487	0.4
103.05458	1.0
105.03395	0.5
105.07034	3.8
107.04955	3.6
107.08560	0.8
108.02088	0.9
109.10144	0.7
111.09367	0.4
118.04173	3.0
119.04933	1.0
119.08598	0.5
121.02911	0.5
121.06493	0.5
121.10152	0.7
123.00801	3.0
123.04420	2.2
128.06209	1.4
129.06998	0.5
132.05675	0.6
133.02818	0.5
133.06497	3.2
133.10106	0.5
135.04437	2.4
137.02356	0.9
137.05959	0.9
145.02817	0.5
146.03555	1.1
147.00764	0.6
147.04388	1.5
149.02309	1.1
151.03848	1.5
152.00984	0.8
153.06932	0.7
154.02562	0.4
156.05684	1.3
161.05989	3.1
163.03908	0.7
165.05521	5.1
165.09137	0.5
166.06241	0.9
167.07056	0.9
168.05695	0.9
169.06508	0.9
171.08070	10.3
179.03387	1.4
179.07062	1.1
180.07800	0.8
181.06445	1.0
183.08003	1.0
184.05229	2.0
185.05894	0.6
193.05031	2.7
196.05191	0.6
197.05975	1.5
198.06773	0.8
199.07492	1.1
207.02910	0.9
207.06563	1.0
209.05988	4.1
211.07561	1.2
212.04739	1.2
213.09171	2.9
214.06158	0.5
221.04482	0.6
222.05174	1.0
223.03932	1.1
225.05484	2.1
226.06229	1.8
227.07063	1.1
229.08598	1.9
231.08351	0.5
237.05449	3.2
239.03477	0.8
239.07018	1.2
240.04155	1.9
240.07791	5.7
241.05048	0.5
242.05656	0.6
253.04976	2.9
254.05826	2.7
255.06532	100.0
256.07043	2.3
257.07993	0.7
268.07181	2.3
269.08109	36.9
270.08386	1.0
283.06027	37.8
284.06757	6.8
285.07587	11.5
295.06122	2.9
299.05502	2.9
299.09113	1.2
309.04141	0.6
311.05594	0.9
313.07172	1.8
359.09189	0.4
363.90762	0.4
371.09235	0.7
375.08578	0.6
387.08890	0.6
419.11255	0.7
447.09921	0.5
463.13889	33.3
464.13925	1.0
471.10840	1.0
473.08249	0.7
489.11783	9.3
489.18155	0.7
507.12900	59.5
508.13269	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	507.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33031	0.3
53.03930	0.7
55.01861	0.5
67.05495	0.5
69.07011	0.5
69.47353	2.7
74.27505	0.3
76.30357	0.4
79.05451	0.8
81.03400	0.5
81.07042	0.6
85.02867	0.3
89.03918	3.8
91.05492	3.3
93.07026	1.0
95.01328	0.4
95.04932	0.8
97.90488	0.3
102.04678	0.6
103.04895	0.4
103.05477	4.7
105.07005	1.6
106.04169	0.5
107.04916	0.7
109.10077	0.3
115.00378	0.4
115.05437	0.5
117.02601	0.6
117.03386	9.5
117.06989	0.4
118.04168	2.3
119.04932	0.8
119.08560	0.4
121.06507	2.9
123.00796	0.9
127.05412	0.6
128.06221	0.8
129.06990	1.4
130.04137	2.0
131.04933	3.8
132.05659	1.1
133.06432	0.8
134.03624	0.6
135.04391	0.5
137.02351	0.5
137.05984	0.6
137.09521	0.4
139.05466	0.7
142.04153	0.4
145.02846	3.2
145.06432	0.9
146.03596	1.5
147.04430	1.9
148.05142	1.2
149.02390	0.4
149.05971	2.1
151.03871	0.4
153.05449	0.5
155.04922	14.3
155.06038	1.1
156.05621	1.0
157.06493	0.8
159.04382	0.8
160.05281	0.4
161.05997	2.2
163.03860	0.7
165.09120	1.3
167.04897	0.4
167.07001	1.3
168.05669	0.9
170.03595	0.4
171.04431	2.1
172.05124	0.6
173.05980	0.6
175.03824	0.9
176.04684	2.1
177.05484	2.1
178.06270	0.6
183.04424	12.7
184.05197	1.2
185.05977	5.0
191.06998	5.0
192.07800	0.8
192.64876	0.4
193.08629	1.8
195.04459	0.6
196.05196	1.4
198.03059	0.4
200.04698	0.4
211.03874	7.9
212.04759	2.0
213.05460	1.8
215.07019	0.5
223.03909	1.0
224.04701	1.0
225.05460	1.4
228.04161	1.1
239.03397	15.9
240.04010	2.1
241.04964	6.8
243.06465	0.7
252.04280	0.4
253.04961	1.6
254.05734	1.4
256.03723	0.9
256.07349	0.4
265.04910	0.4
267.02866	0.4
268.03717	1.7
269.04465	100.0
270.05017	2.7
271.06070	4.7
281.04666	0.4
282.05228	0.6
283.05881	0.4
285.07657	2.2
295.05981	0.9
297.03958	42.6
298.04703	8.2
299.05508	27.0
299.09006	0.8
300.05972	1.1
309.04367	0.4
311.05551	0.8
313.06979	0.6
325.07001	0.5
327.05008	8.0
329.06616	1.4
475.10223	1.0
477.11829	6.5
489.11850	47.1
490.12289	1.3
507.12897	58.2
508.13342	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.0
57.07069	1.6
57.98745	1.4
67.05487	5.1
69.03418	5.2
69.07073	4.1
69.77881	7.9
79.05505	3.8
81.03386	3.0
81.07062	14.5
85.02921	11.8
87.00829	7.1
90.18301	1.4
91.05499	2.6
93.07061	11.0
95.08606	11.5
96.62514	1.4
97.02885	6.1
97.10159	3.3
99.04468	2.1
101.43483	1.4
105.01888	17.2
105.07018	3.1
107.08591	10.6
109.02872	4.1
109.10165	15.4
121.10141	4.8
123.11712	87.4
125.21662	1.5
127.03922	13.6
135.11708	37.8
145.04967	7.7
149.13271	29.6
159.02939	1.8
205.19537	100.0
206.19933	1.5
223.20506	2.0
231.05019	6.7
249.06102	9.2
269.04410	3.4
277.48230	1.8
284.09790	6.3
356.14774	1.4
507.12805	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	506.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06637	2.7
54.51258	2.5
55.01869	3.4
55.05489	6.1
56.96563	2.9
57.07071	5.1
57.35937	2.5
61.02928	3.6
67.05508	13.0
69.03422	10.7
69.07066	9.3
71.04987	4.6
71.58403	3.6
79.05495	8.9
81.03421	8.0
81.07066	31.9
83.05009	2.9
83.08594	5.0
85.02917	23.0
87.00832	9.7
91.05464	9.5
93.07039	15.4
94.06587	4.3
95.08616	23.4
96.05397	2.5
96.08881	3.3
97.02905	11.1
97.10172	3.9
98.97577	4.0
105.01872	17.6
105.07024	4.9
107.07355	5.4
107.08591	23.9
108.08120	7.6
109.02872	9.0
109.10160	21.7
119.08580	4.4
121.06528	3.3
121.10143	19.5
122.09649	9.4
123.11713	89.7
127.03942	18.7
131.08617	3.4
135.11693	43.8
137.13251	6.1
145.04938	7.7
149.13277	42.0
150.09125	34.5
159.08092	3.0
159.11777	3.3
163.14735	2.5
166.08652	4.0
166.46288	2.7
172.03958	4.7
177.05443	5.4
177.16388	45.4
204.06564	9.2
205.19514	100.0
209.10738	4.9
221.10910	3.3
223.16927	36.8
231.05124	4.5
235.08876	2.9
236.09520	3.1
237.10344	6.7
238.11108	3.1
239.11815	3.2
241.08624	3.5
241.17976	7.8
249.05981	8.0
249.10246	10.5
250.11075	7.8
251.11778	11.5
259.09607	22.6
263.11862	24.2
264.12482	5.7
265.09680	4.5
265.13321	11.9
278.10480	3.0
279.11252	13.8
291.11188	22.3
292.11859	3.7
293.12683	17.2
297.12457	3.6
309.12344	22.5
319.10840	14.1
325.11719	10.8
337.11819	66.7
351.12979	6.4
357.14465	2.7
367.18042	6.0
369.14349	14.5
379.11658	4.6
389.00909	3.2
414.10190	4.2
415.15240	6.4
446.12854	15.8
446.21365	3.2
474.16199	9.8
474.21222	5.7
506.19614	4.1
507.22229	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
56.96563	1.6
61.02899	0.9
67.05515	0.7
69.03413	3.6
70.06579	1.3
71.05022	0.8
72.08177	1.5
72.98928	0.7
73.06531	1.2
78.92708	0.8
79.05487	1.1
81.03407	1.2
82.06601	1.1
85.02912	6.9
87.04469	3.5
89.06034	100.0
90.06387	1.0
91.05482	2.9
93.07051	1.6
97.02899	2.6
98.97582	4.7
100.07624	0.8
106.06603	0.8
107.04974	2.0
107.07100	1.3
109.02870	0.8
116.98654	1.4
118.06535	1.6
119.04955	1.3
119.07331	9.3
120.08167	0.8
121.06488	0.9
124.03975	1.3
124.07579	1.3
127.03944	1.9
130.06558	0.9
131.07080	1.2
133.08612	56.3
134.05997	2.2
135.06763	1.3
136.07602	4.0
137.05920	0.8
140.07022	0.7
141.02278	1.0
142.08688	0.9
145.05069	0.9
146.06065	1.0
146.08133	1.4
147.06880	0.7
148.07593	1.0
158.99629	0.8
161.06042	1.1
162.05496	0.7
163.07550	1.2
164.07069	0.8
165.09119	0.7
167.07080	0.9
174.11334	1.8
177.00833	0.7
177.05531	1.7
177.11235	21.5
183.11128	0.8
183.67700	0.6
188.03743	0.8
197.00049	0.8
203.07088	1.0
205.08675	2.4
208.09840	1.0
221.13821	4.5
239.14935	5.4
240.10069	1.1
249.07689	1.0
252.10225	1.7
254.11847	1.7
265.11270	2.6
265.16510	1.2
266.08917	0.8
266.11502	4.1
269.12796	4.3
283.17560	4.7
284.12476	1.1
307.12299	1.0
308.12686	2.6
315.13376	11.7
326.13852	1.1
327.20163	75.2
328.20480	1.2
337.10043	0.8
446.17667	3.8
461.17230	1.5
478.19794	2.9
488.20398	1.1
506.19855	7.3
506.27063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06579	1.2
55.01865	2.4
57.03437	2.0
58.24749	1.2
62.48981	1.5
69.03419	3.1
70.06571	2.8
71.04980	1.4
71.57610	1.6
72.08144	4.6
72.60579	1.2
81.03422	1.6
81.07023	1.6
82.06567	2.1
84.08124	1.6
85.02927	7.0
91.05489	17.9
93.07037	2.4
94.21770	1.2
95.04946	1.4
96.08140	2.0
97.02897	2.0
98.97597	2.2
103.05472	1.7
105.06990	1.4
106.06568	2.1
107.04957	9.3
107.08595	1.8
109.10182	1.7
117.05760	1.9
118.06568	9.7
119.04980	10.3
119.07330	75.7
120.08084	4.0
121.06498	5.1
122.06021	3.6
124.03941	1.5
124.07645	1.9
127.03901	3.9
130.06531	3.3
131.04947	2.6
134.06020	22.0
135.04460	2.1
135.06767	13.3
136.07587	33.6
137.05923	1.9
143.04846	1.6
145.02829	1.8
145.05058	1.5
146.02684	4.0
146.06001	14.5
147.04390	6.6
147.06764	1.8
150.05486	3.7
160.07584	4.6
161.05949	2.4
162.05481	2.2
163.07460	2.5
165.05473	1.4
167.06927	1.8
175.07504	4.4
176.07072	6.1
177.05472	7.9
185.91583	1.4
195.06483	1.4
203.07024	4.6
205.08578	2.3
223.07594	1.5
227.07112	2.6
234.09363	1.8
235.07544	3.0
237.09215	2.6
237.11456	2.0
240.10222	3.0
240.62135	1.5
245.08162	2.8
249.07591	5.8
252.10222	15.5
254.11800	18.5
256.09671	7.4
269.12860	40.8
270.11224	1.9
273.07590	5.8
280.09692	5.9
286.10858	2.5
293.01932	1.6
298.10675	8.5
309.09564	2.5
315.13391	100.0
344.15054	2.4
387.16910	2.7
433.17761	2.4
443.16461	1.6
454.07315	1.5
461.17004	16.2
472.48114	1.5
478.19794	25.5
489.16309	10.2
506.18744	8.2
506.27283	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	16.1
57.07059	6.2
67.05519	25.7
69.03418	7.1
69.06720	5.8
69.07075	74.0
70.01168	14.7
71.04966	3.9
71.99452	3.6
79.05507	31.3
80.79664	4.0
81.07068	100.0
83.04991	6.3
83.08621	14.1
85.02905	16.1
85.06551	20.3
91.05489	12.9
93.07040	40.1
95.04961	7.9
95.08607	63.8
97.06530	8.2
97.10172	7.5
98.20792	4.9
99.08110	18.4
105.07047	25.2
106.12238	3.4
107.08597	31.4
109.10154	31.5
111.08100	8.9
111.11721	24.0
113.09663	3.5
117.06997	4.5
119.08589	24.9
121.10149	34.2
123.11709	25.0
131.08574	6.0
133.10092	18.5
135.11722	41.8
137.13268	9.3
139.11171	16.5
145.10124	7.0
147.11728	22.2
149.13254	13.1
153.12766	19.7
159.11694	14.8
161.13243	8.3
163.14845	8.9
165.12720	3.8
173.13271	8.3
175.14851	9.0
177.16414	14.6
187.14835	4.9
189.16412	3.8
193.15999	4.2
195.17479	12.7
213.18524	15.5
239.20004	4.7
271.24069	4.5
277.25351	6.4
289.25266	19.8
295.26389	22.8
307.26288	31.5
325.27530	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.7
55.01884	1.8
55.05515	14.2
57.03437	2.3
57.07079	45.3
59.04978	0.7
62.12034	0.6
65.03941	2.2
67.05508	31.5
69.03433	2.5
69.07072	12.4
71.04992	2.0
71.08635	31.5
79.05494	17.0
79.75235	0.8
81.03423	100.0
81.07062	31.6
83.04994	3.1
83.08624	32.8
85.06549	1.9
85.10191	16.7
91.05486	22.3
93.07037	10.6
95.04359	1.0
95.04977	29.5
95.08614	34.2
97.02907	2.8
97.06556	0.9
97.10175	8.8
98.21551	2.1
99.08095	0.9
103.05476	0.9
105.04495	0.8
105.07032	14.4
107.04948	6.1
107.08599	5.3
109.02882	1.0
109.06532	2.0
109.10162	16.1
111.04422	1.2
111.08075	8.3
111.11732	3.0
114.96444	0.8
115.05451	1.8
117.07043	2.9
117.07837	0.7
119.04969	1.3
119.08593	14.5
121.05753	0.7
121.06503	3.6
121.10137	5.2
123.04451	2.3
123.11717	5.6
125.13290	1.2
128.06194	1.1
129.07014	9.9
129.07895	0.9
131.08571	9.4
131.09508	1.0
133.06517	4.4
133.10136	4.8
135.04410	1.7
135.11684	1.2
137.06033	0.8
137.09665	1.4
137.13300	2.2
138.07700	0.8
142.07806	2.3
143.08591	1.0
145.10182	2.4
147.08008	3.9
147.11696	7.2
149.09630	4.6
151.03954	3.3
151.14828	1.3
157.10138	10.0
165.12794	1.2
165.16470	1.6
169.10201	0.8
171.11745	1.0
175.11189	11.3
179.14345	1.0
185.13316	1.0
193.12251	62.7
195.11729	0.9
199.63808	0.9
203.07088	4.4
203.14233	0.7
213.12674	1.2
221.22760	1.0
231.13924	2.6
239.23717	9.9
243.10168	0.9
249.14917	7.6
273.11319	2.8
277.21857	0.8
285.07751	0.9
298.39224	0.8
505.38953	91.7
506.39236	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	505.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01873	7.6
55.05519	35.2
56.96552	1.6
57.03442	3.2
57.07084	15.9
57.10167	1.4
61.02932	2.8
65.03938	5.1
67.05514	46.1
67.05872	2.7
68.99798	9.3
69.03437	62.3
69.07077	63.0
71.01354	3.1
71.04984	6.1
71.08644	4.8
71.57530	2.2
73.02914	2.9
79.05498	32.0
81.03427	31.5
81.07067	100.0
83.04998	11.1
83.08632	22.8
85.02912	21.7
85.06549	11.5
85.10200	2.4
87.00847	10.4
87.04484	4.2
91.05490	38.6
93.07055	50.5
93.07627	3.2
95.04978	24.2
95.08619	90.6
95.12267	1.5
97.02898	20.3
97.06543	10.5
97.10174	14.4
98.30338	1.7
98.97575	1.8
99.04468	7.0
99.08093	5.5
101.02396	2.1
103.03973	1.7
103.05502	2.8
105.01875	4.4
105.07040	52.0
107.04945	9.6
107.08606	47.2
108.56039	1.4
109.02884	14.6
109.06522	8.9
109.09444	3.3
109.10168	50.1
110.73104	1.4
111.04443	14.2
111.08108	7.4
111.11714	4.3
113.06024	1.8
115.03923	4.9
115.05455	6.0
117.01893	2.5
117.07039	15.9
119.04958	3.5
119.08595	48.2
121.06541	10.5
121.10154	27.2
123.04453	6.0
123.08076	5.0
123.11723	18.8
124.12122	1.6
125.06013	2.2
125.09644	5.1
125.13316	2.6
127.03911	15.5
127.11231	2.0
128.06239	9.0
129.01851	2.3
129.05487	2.0
129.07040	11.2
130.07849	2.6
131.04918	2.1
131.08580	28.5
133.06535	7.6
133.10141	31.5
135.04433	4.3
135.08072	8.9
135.11719	16.8
137.06009	5.5
137.09628	3.7
137.13293	10.5
139.07596	1.6
139.11102	2.0
141.06996	5.6
142.07777	8.6
143.08572	26.8
144.09366	3.2
145.06480	8.3
145.10135	34.0
147.08037	12.7
147.11711	24.2
149.06003	5.0
149.09647	8.6
149.13274	23.2
151.03969	1.7
151.07593	2.8
151.11119	2.8
151.14859	3.9
153.07011	1.7
153.09041	2.1
154.07811	2.5
155.08563	11.9
156.09355	5.8
157.06499	2.7
157.10141	26.3
159.02937	2.1
159.08073	9.1
159.11714	28.8
161.06000	4.1
161.09654	12.1
161.13283	16.1
163.07516	3.6
163.11183	5.0
163.14864	11.2
165.06958	3.0
165.09132	8.3
165.16389	2.8
167.08543	3.5
168.09360	3.1
169.10162	13.2
170.10907	2.7
171.08064	8.0
171.11717	19.1
173.09676	7.6
173.13301	16.1
175.07594	3.9
175.11223	10.9
175.14853	6.2
177.09177	3.8
177.12814	3.0
177.16447	3.0
179.08601	2.7
181.05029	2.6
181.10146	7.3
181.69502	1.9
182.11061	2.4
183.08127	3.1
183.11676	14.1
185.09634	10.6
185.13322	12.6
187.11201	8.0
187.14870	8.2
189.09146	7.6
189.12756	6.8
189.16455	3.1
191.10632	3.6
191.14380	1.8
193.10083	2.6
195.11743	5.8
195.13589	1.7
197.09669	4.5
197.13287	9.7
199.11258	5.2
199.14914	8.1
201.03999	2.0
201.09129	2.9
201.12784	6.8
201.16406	4.4
203.10690	7.2
203.14397	3.9
203.17989	3.3
204.18404	2.1
205.12236	2.2
205.15865	1.8
205.19633	2.3
206.10674	1.8
207.11772	4.3
209.13283	4.7
210.12708	1.6
211.11171	5.1
211.14835	5.1
212.11945	1.5
213.04019	3.8
213.12820	7.3
213.16396	6.0
215.10628	2.9
215.14384	4.4
217.12184	1.7
217.15826	3.3
219.21016	2.7
221.13293	2.6
225.12840	4.5
225.16351	2.2
227.14288	3.9
227.18077	2.3
229.12344	2.2
229.15880	3.4
229.19623	1.9
231.05035	3.4
231.13919	2.9
239.14247	1.7
239.18129	1.8
239.20406	1.9
241.15903	8.3
249.22305	1.8
255.17531	2.4
257.07971	1.7
257.15421	1.9
259.16788	3.5
273.22147	1.7
273.26059	1.9
275.27405	2.1
289.05502	3.1
289.25397	2.6
291.26782	2.0
303.26880	6.2
313.25098	2.1
315.26770	11.5
317.27823	1.6
321.08063	1.9
329.28345	4.6
333.27924	2.4
337.11871	3.3
339.27008	1.9
341.08142	2.5
341.28741	1.9
345.27930	2.1
355.30020	3.7
357.27734	3.5
359.29504	4.2
363.18054	2.7
365.28442	13.9
369.07739	2.3
370.08304	2.9
371.29126	2.1
377.26907	1.9
383.09061	1.9
383.29483	62.2
385.10699	2.0
398.07919	3.1
401.25726	3.0
401.30582	41.6
413.10220	13.8
419.31577	5.7
423.44986	2.0
427.11508	2.9
429.09824	2.8
430.10294	4.0
445.12891	43.8
445.29437	4.0
446.13016	3.3
451.27899	1.8
461.32690	4.8
469.29401	7.4
487.30646	29.3
505.31625	78.2
506.32031	3.2
527.33917	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	505.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
56.05027	0.7
56.96556	0.5
58.06598	0.3
64.13676	0.2
69.03416	0.3
71.04977	0.2
71.57787	0.3
72.08158	0.5
74.06114	0.2
75.40774	0.2
83.04995	1.0
84.08141	0.4
85.02915	0.5
86.06036	0.3
98.09687	0.3
98.97591	1.7
100.03963	0.3
101.06023	0.8
102.05547	14.3
102.09206	1.0
103.08698	0.9
110.06028	0.2
110.97603	0.5
111.04446	0.3
112.07623	2.1
112.99137	0.4
113.06010	0.5
116.98595	0.4
117.40109	0.2
128.07077	0.6
128.10732	1.7
128.98625	0.4
130.08632	0.6
138.05510	0.5
139.09575	0.2
154.16353	0.2
157.09747	0.4
158.99609	0.4
164.07063	0.5
166.08701	0.3
173.01254	0.2
174.11267	100.0
175.11639	1.2
182.08115	0.6
185.09229	0.7
188.12802	1.4
189.13136	0.8
190.13326	0.7
193.03764	0.2
194.08185	0.4
196.09543	0.4
200.09178	0.4
212.09119	1.0
218.13939	0.5
219.01808	0.5
230.10217	1.4
237.02811	0.9
241.75134	0.2
270.14520	0.6
289.17673	0.5
289.21207	0.3
314.17139	2.6
316.18573	0.4
332.18170	9.6
359.74933	0.2
445.10342	0.4
445.17169	0.3
505.16821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07939	1.5
55.66600	1.6
57.03437	5.4
67.05495	2.3
69.03436	14.5
69.07071	3.2
70.06590	2.9
71.04996	1.8
71.57977	2.6
72.08149	3.8
81.07061	5.6
84.08141	4.2
85.02907	9.7
86.09703	4.4
87.04468	5.8
91.05489	4.3
93.07048	5.3
95.08620	10.3
97.02909	11.7
98.97569	1.7
99.08121	1.8
105.07041	7.3
107.08604	6.5
115.03947	10.2
119.08582	33.8
121.10156	2.2
123.11670	2.3
125.14288	1.9
127.03910	2.4
133.04958	11.4
133.10133	52.6
135.11693	12.1
145.05043	2.0
145.10167	2.0
147.11693	2.6
158.82904	1.8
175.14827	67.5
193.15865	13.6
211.16957	11.4
313.06961	1.9
439.59061	1.9
461.19852	10.5
473.15054	2.4
486.00040	2.2
487.21622	6.6
505.22635	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	505.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66108	0.8
53.03929	0.9
55.05500	2.1
56.40765	0.8
57.03439	5.2
67.05502	2.0
69.03081	0.9
69.03435	14.8
69.07060	1.5
69.56262	5.2
71.04980	1.0
73.02902	0.9
75.95961	0.8
79.05484	3.1
81.07064	10.0
83.08612	1.2
85.02911	11.5
87.04459	7.4
90.28741	0.8
91.05498	4.1
93.06525	0.8
93.07029	5.3
95.08607	12.5
97.02900	11.0
99.08083	3.8
105.07040	10.2
107.08598	9.8
109.10144	2.6
113.09669	1.8
115.03950	11.0
119.08590	42.6
121.10126	1.2
123.11672	2.5
127.03941	1.3
131.08556	1.1
133.04999	8.0
133.10135	47.1
135.11714	9.7
137.05997	1.3
145.04947	1.5
145.10110	1.0
147.11626	3.2
151.14481	0.8
175.14833	100.0
176.15251	1.0
193.15863	10.5
211.16911	8.6
253.55478	0.9
255.06514	1.2
257.06870	1.1
299.55258	1.1
409.65375	1.0
505.22595	1.0
527.09540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05510	0.7
51.02383	0.9
53.03954	3.4
55.01859	2.0
55.05513	5.7
57.03424	2.3
57.06828	0.7
57.07080	7.6
58.97508	0.7
59.04998	5.5
65.03922	1.2
67.05508	14.8
69.03417	1.1
69.07075	12.8
69.84536	1.8
69.84956	2.4
71.08630	4.2
73.06536	1.7
79.05496	7.2
81.03423	23.3
81.07064	12.2
83.04963	1.8
83.08634	5.3
85.06521	2.4
85.10157	3.2
91.05493	11.7
93.07047	8.4
95.01320	1.9
95.04978	10.5
95.08607	9.1
97.02892	1.1
97.06506	1.2
97.10143	2.0
98.20991	1.9
99.08100	1.0
101.06053	1.0
105.03389	0.7
105.07037	12.3
107.04947	2.8
107.08595	7.5
109.06528	8.7
109.09460	1.2
109.10164	21.8
111.04456	1.7
111.08076	1.4
113.06034	5.7
115.05456	2.0
116.06178	0.6
117.07038	4.8
119.04945	1.0
119.08593	13.1
121.06492	4.3
121.10126	3.5
123.08069	3.0
123.11697	1.3
125.06033	1.1
128.06256	2.5
129.07034	8.5
130.07799	1.4
131.04921	0.9
131.08586	6.0
133.02901	0.8
133.06529	4.2
133.10159	3.9
135.04433	1.7
135.08058	3.2
135.11716	4.0
141.07001	1.7
142.07741	2.6
143.04994	1.1
143.08586	5.4
145.06480	6.3
145.10106	5.1
147.04442	2.0
147.08040	12.1
147.11682	2.1
149.02350	1.9
149.05888	0.8
149.09602	2.8
151.03923	0.9
154.07747	1.0
155.08548	2.7
156.09331	1.2
157.06464	2.8
157.10149	5.5
159.04468	0.8
159.08058	4.1
159.11700	2.5
160.05222	0.7
161.02338	8.6
161.06007	7.7
161.09604	6.0
161.13219	1.9
163.03882	1.5
163.07585	0.7
163.11168	1.4
167.03401	1.7
167.07137	0.8
167.08533	1.9
169.10124	3.3
170.10844	1.0
171.08023	2.3
171.11711	2.0
173.05988	2.3
173.09621	3.4
173.13263	2.1
175.03952	1.4
175.07588	3.6
175.11218	3.6
175.14803	1.6
177.09109	1.6
179.07059	1.3
181.06509	1.1
183.08116	1.0
183.11742	1.4
185.06012	4.4
185.09615	3.2
185.13258	2.9
186.09821	0.7
187.03912	2.3
187.07562	2.8
187.11189	2.9
189.09138	3.8
189.12764	2.1
191.07117	1.3
193.12238	10.0
195.08112	1.1
195.11688	1.2
197.09622	2.7
197.13293	1.3
199.07486	1.6
199.11226	1.0
201.09297	1.4
201.12691	2.4
203.07040	100.0
203.14349	9.8
204.07449	1.5
209.09641	1.3
211.11162	1.9
213.09203	1.5
213.12820	1.9
215.10652	3.2
215.14177	1.1
217.12262	1.1
217.15953	0.9
221.11765	0.9
223.07535	1.0
225.12746	1.1
225.16402	0.9
227.06903	1.0
229.08635	2.0
229.12306	2.9
237.09186	1.1
239.23721	2.3
241.08594	3.7
243.10178	9.4
243.17523	1.5
245.15558	1.3
249.14957	1.0
253.15823	4.1
269.08026	4.3
269.15366	2.0
271.09680	2.7
271.16940	5.8
279.13733	1.2
285.18442	4.0
297.11151	1.6
297.14737	1.5
303.19531	10.5
349.14532	1.3
405.20905	1.4
415.18771	1.0
417.20755	2.3
455.22226	3.1
473.23059	2.7
487.24869	2.1
505.26480	8.6
505.39050	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	505.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04232	0.6
91.05444	0.9
102.04705	0.7
103.05437	2.2
105.07025	4.1
113.68554	0.6
115.05431	0.9
118.04122	2.2
119.04991	0.8
123.00787	3.8
128.06226	1.3
130.04143	0.9
131.04938	3.5
132.05690	0.8
133.06511	3.5
135.04411	1.2
141.06973	0.9
146.03622	7.1
147.04395	2.5
148.05206	0.8
152.01036	1.5
161.05991	8.8
162.06776	1.4
163.07516	1.8
168.05730	1.0
169.06490	0.8
171.08061	11.0
181.06468	1.3
183.07999	1.4
184.05203	2.4
195.04443	0.6
196.05260	0.7
199.07367	0.8
209.05957	3.8
211.07529	1.1
212.04643	0.9
213.05382	0.5
223.03835	0.5
225.05432	0.7
227.06918	0.7
229.08606	1.8
239.07022	0.8
240.04167	1.6
240.07802	3.8
242.05853	0.7
255.06531	100.0
256.07050	2.4
268.07385	0.7
269.04285	0.6
281.08185	1.8
283.06030	33.4
284.06796	10.5
285.07581	14.3
290.16830	0.6
292.90466	0.6
295.06207	0.7
385.10382	0.8
413.10275	2.1
445.12842	54.6
446.13080	2.6
463.13885	1.0
505.14975	39.9
506.15277	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01866	3.2
55.05522	5.5
56.40349	0.9
56.82001	0.9
57.03434	1.1
57.07066	4.0
57.72164	0.9
57.86955	0.9
59.04985	3.6
63.67695	1.1
65.03911	1.1
67.05505	7.8
69.06768	1.0
69.07072	10.9
69.31921	9.0
71.08633	2.3
76.93775	1.0
79.05489	5.3
81.03419	15.4
81.07074	8.7
83.04943	1.5
83.08612	4.5
85.06533	1.8
85.10176	2.0
89.86910	1.0
91.05476	11.7
93.07043	10.0
95.01304	1.3
95.04982	7.9
95.08616	5.9
97.06530	1.2
98.21482	2.3
105.07037	9.5
107.04929	3.2
107.08619	7.3
107.20355	1.0
109.06525	6.8
109.10170	9.9
113.06008	4.5
115.05459	1.7
117.07003	3.9
119.08607	10.7
121.06498	5.4
121.10138	4.1
123.08068	4.1
123.11694	1.9
128.06235	1.8
129.06998	6.0
131.08585	5.4
133.06502	2.6
133.10112	4.2
135.04420	1.4
135.08038	3.8
135.11682	4.4
137.05952	1.6
137.09555	1.1
139.07524	1.7
141.07002	2.0
142.07782	2.5
143.08571	4.8
145.06485	4.4
145.10112	4.6
147.04411	3.0
147.08049	8.4
147.11697	2.4
149.02345	2.4
149.06006	1.8
149.09602	2.1
151.03937	2.4
153.06999	1.7
155.08522	1.9
157.10112	4.5
157.30777	1.1
159.08047	4.1
159.11674	2.8
161.02362	7.7
161.06024	5.4
161.09619	4.4
161.13284	1.7
163.03857	2.5
163.10966	1.1
167.03439	1.9
167.07080	1.4
169.06503	1.3
169.10083	2.2
171.08130	1.6
171.11652	1.9
173.05957	2.2
173.09637	3.5
173.13228	1.2
175.03958	1.7
175.07579	3.2
175.11140	3.2
175.14771	2.9
177.12776	1.3
183.08072	1.5
185.05997	3.7
185.09612	2.4
185.13287	2.8
187.03966	1.9
187.07581	2.3
187.11159	2.5
189.09235	2.3
189.12849	1.6
191.14264	2.2
193.12291	4.3
197.09534	1.5
199.07489	2.1
201.09096	3.6
201.12773	2.2
203.07036	100.0
203.14290	6.3
211.11198	1.5
213.09039	1.6
213.12784	1.6
215.10663	3.7
217.15848	1.5
225.08939	1.0
227.07079	1.3
227.14355	1.6
229.12210	2.1
241.08690	2.6
243.10178	27.5
245.15314	1.7
249.14725	1.7
253.15823	5.0
255.13879	2.7
269.08078	7.6
269.15356	3.3
271.09665	1.1
271.16879	5.7
283.09976	1.1
285.18466	3.2
297.11646	1.5
297.14886	1.7
303.19659	4.9
325.14252	1.7
331.13406	1.4
391.19052	1.5
393.20560	1.3
405.20596	2.0
455.22394	2.2
473.23093	3.6
505.26062	11.2
505.38727	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	505.1346
Annotation	Platycarpanetin 7-O-glucoside
Peak:m/z	Relative Intensity
53.03953	1.5
55.01864	1.4
55.05505	2.6
57.03417	1.4
58.85490	0.7
59.14907	0.8
61.02915	1.3
62.49653	0.8
64.80917	0.8
67.05492	3.6
69.03413	3.0
69.07072	8.3
69.52136	6.1
71.05003	1.3
73.02895	0.7
79.05482	3.1
81.03414	2.5
81.07063	8.5
83.08615	1.3
85.02908	9.0
85.06532	2.8
87.00829	2.3
91.05461	3.0
93.07067	4.3
93.80187	0.8
95.08614	6.7
97.02882	3.7
97.06538	1.4
97.10146	2.4
98.21436	1.5
99.04449	1.4
99.31548	0.9
103.05439	1.1
105.01852	1.3
105.07025	3.2
107.08594	3.7
109.02904	2.1
109.10158	5.2
111.08091	1.5
111.11718	1.5
119.08570	3.5
121.10148	3.2
123.11710	3.0
125.09641	0.9
127.03934	4.8
131.08554	1.0
133.10130	2.3
135.10780	0.8
135.11661	4.6
137.01532	1.0
137.02350	25.1
137.05965	1.2
139.11179	2.0
145.04994	2.7
147.11670	1.5
149.13251	1.6
151.07542	1.2
153.07126	1.3
153.12753	1.6
155.08575	1.6
159.02884	1.9
161.02399	2.7
162.03133	41.2
163.11166	0.8
163.14822	1.3
165.07047	4.4
165.12796	1.0
175.14754	2.0
183.08067	31.6
184.03679	1.2
193.07625	1.4
211.07555	22.2
227.03442	1.2
229.08630	0.9
239.07106	4.4
241.05049	1.2
242.05774	3.1
247.66876	0.9
254.05731	1.8
257.08105	32.8
270.05252	2.2
278.90027	0.9
285.07550	2.2
289.25201	2.9
295.26263	1.3
298.04684	2.5
307.26303	3.6
311.05542	7.7
313.07016	1.8
325.27328	2.9
327.05280	1.1
328.05798	27.7
343.08145	100.0
344.08432	2.0
435.78122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1344
Annotation	Germanaism A
Peak:m/z	Relative Intensity
55.05514	0.4
57.81371	0.2
61.41874	0.2
67.05503	0.4
69.03436	0.2
69.07062	0.9
69.64757	1.5
73.71925	0.2
76.52156	0.2
79.05499	0.3
79.75281	0.2
81.03394	0.4
81.07065	1.2
82.06580	0.6
83.80235	0.2
85.02901	0.3
85.06533	0.3
86.68445	0.2
91.05482	0.3
93.07040	0.7
95.04989	0.4
95.08598	1.0
97.06549	0.3
97.69341	0.2
98.21412	0.4
105.07051	0.5
107.08603	0.6
109.10124	0.7
119.08601	0.5
121.10110	0.4
123.00851	0.4
123.11696	0.3
125.02328	0.4
128.07100	0.3
133.02844	0.3
133.10155	0.3
134.64525	0.3
135.11729	0.6
137.02367	1.7
137.05988	0.7
138.03122	1.5
139.11263	0.3
144.78270	0.3
145.10165	0.4
147.11685	0.5
151.00262	0.5
151.03935	0.7
153.01837	6.8
155.04884	0.3
159.11691	0.2
161.02332	1.6
162.03133	28.2
163.03822	0.4
166.02617	2.3
168.74318	0.2
171.04413	0.2
175.04002	0.2
175.14899	0.2
176.04770	0.3
178.02888	0.3
184.03664	0.7
184.05118	0.4
193.05035	0.3
199.04005	0.3
203.17926	0.4
211.03902	0.6
212.04745	0.3
213.05435	0.3
214.06252	0.4
225.05415	0.3
227.03455	1.4
242.05748	3.3
253.04916	0.5
254.05878	1.1
255.02858	1.2
268.03641	0.2
269.04471	0.5
270.05219	3.8
282.05353	0.3
283.02393	1.6
283.06042	0.7
285.03983	0.9
285.07605	2.3
287.09097	0.3
289.25275	0.3
296.03149	0.6
297.03897	0.7
298.04745	2.5
300.06400	0.6
310.04858	0.5
311.05463	2.3
313.03394	1.2
313.07089	2.4
315.08276	0.3
327.05020	0.3
328.05795	26.8
329.06174	0.5
343.08136	100.0
344.08612	1.9
505.19702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01886	0.4
67.01876	3.1
68.99768	1.7
69.03424	2.0
69.57711	2.0
73.02903	0.6
78.23887	0.3
79.05496	0.8
81.03436	1.8
81.07071	0.5
83.01352	0.6
85.02917	4.4
87.00832	1.6
91.05463	1.2
93.07067	0.4
95.08618	0.6
97.02874	1.8
99.04456	1.0
103.05479	6.8
105.01878	0.9
105.07027	0.7
107.04977	1.0
109.02914	2.2
111.00803	0.6
119.08573	0.5
122.90722	0.3
125.02385	0.4
127.03931	2.6
129.01840	1.3
131.04939	19.3
145.04968	1.5
147.08037	0.6
151.03937	1.4
153.01840	70.3
159.02945	1.5
171.02898	13.4
173.05997	1.1
179.03481	0.8
191.03362	0.4
191.06995	0.6
195.02884	1.0
196.20973	0.4
204.18311	0.8
215.07030	0.9
229.08740	0.6
231.05145	0.5
257.08102	100.0
258.08350	0.8
284.33743	0.4
299.09103	0.9
323.09259	0.4
450.25488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77263	1.9
53.03943	4.4
55.01876	3.3
55.05506	5.1
57.03441	4.1
61.02912	4.0
64.88218	2.0
67.05486	6.9
67.96308	1.7
68.99795	2.0
69.03431	13.3
69.07059	6.6
70.09747	1.8
70.67937	5.9
71.04991	5.4
73.02911	4.3
79.05479	7.3
81.03428	14.9
81.07058	17.1
83.08608	2.9
85.02908	38.1
87.00833	17.6
91.05463	8.4
93.07049	11.7
95.04964	2.3
95.08038	2.7
95.08607	28.1
96.78819	1.9
97.02895	22.5
97.10123	2.1
98.97556	2.0
99.04442	6.1
105.01878	19.0
105.07039	26.2
107.08606	18.9
109.02884	15.9
109.06454	2.1
109.10172	23.6
111.08050	2.1
117.06975	3.1
119.08583	35.1
121.10159	11.6
123.11703	8.3
127.03930	32.0
129.01857	2.6
131.04924	3.6
131.08540	3.1
133.10144	20.0
135.11719	5.3
137.13264	2.8
143.08447	2.0
145.04987	13.2
147.11703	36.2
149.13292	4.0
153.01837	18.1
159.02907	10.1
159.11662	3.0
161.13239	14.7
163.14809	3.7
171.02835	6.9
175.14885	12.7
193.19458	3.6
203.17961	100.0
221.19011	57.0
231.05005	8.9
234.24301	2.2
246.93417	2.3
253.61526	2.2
254.37703	2.1
257.08121	30.2
363.86057	2.1
381.52087	2.1
450.40292	2.1
478.31589	2.2
504.24908	7.3
504.31943	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	503.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.01861	5.5
55.05513	23.0
55.51401	2.3
57.03432	4.3
57.07067	6.4
59.04998	4.5
60.35162	2.4
61.02908	5.0
67.05521	17.6
67.50413	3.1
69.03433	19.9
69.07074	100.0
71.04984	8.8
71.25639	2.7
71.25961	2.6
73.02904	2.6
74.93319	2.4
79.05502	16.5
81.03416	8.3
81.07063	45.9
83.04995	4.8
83.08610	8.4
85.02917	36.8
85.06529	8.4
86.09716	3.3
87.00829	3.0
91.05476	26.5
93.07050	40.3
95.04958	9.4
95.08623	31.9
97.02911	12.7
97.06542	9.0
97.10193	4.2
98.97581	4.4
99.04436	7.3
99.08086	10.0
105.07038	44.2
107.04967	4.1
107.08616	24.2
108.00996	2.3
109.02875	10.8
109.06518	5.7
109.10159	28.8
111.08104	5.8
111.11721	33.1
113.65488	2.4
117.07016	8.0
119.08598	29.0
120.92761	2.3
121.06514	5.9
121.10159	44.4
123.08044	3.3
123.11720	11.6
125.09638	5.3
127.03895	11.0
129.06969	3.3
131.08557	10.9
133.06609	2.3
133.10139	88.5
135.08067	3.0
135.11687	11.0
137.06009	4.1
137.09593	3.9
137.13298	4.7
139.11185	21.0
142.07909	3.0
143.08565	5.8
145.04956	4.4
145.10130	18.7
147.08031	3.3
147.11751	14.2
149.09601	4.8
149.13257	11.6
151.11205	7.2
153.44060	2.6
155.08551	5.3
157.10109	10.4
159.11740	15.2
161.09612	3.2
161.13242	5.6
163.11166	4.3
163.14833	3.4
165.12790	2.4
167.07213	3.3
169.10115	4.0
171.11699	5.8
173.09676	5.2
173.13211	4.2
175.11177	15.5
175.14821	3.8
177.12747	4.2
185.13174	4.3
187.11079	3.0
187.14764	3.3
195.17380	2.7
199.14830	3.7
201.16403	6.6
219.17429	6.4
233.11543	2.6
237.18449	4.7
255.06555	7.6
255.10080	3.2
275.23810	8.8
287.23730	7.5
288.24536	2.6
293.24695	4.4
302.63922	2.6
305.24692	7.9
323.25931	6.6
341.26614	4.2
381.27606	6.0
399.28690	2.8
485.28836	4.1
503.17819	4.5
503.23956	10.6
503.30164	7.3
529.31586	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	503.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
56.96541	0.4
57.07069	0.7
58.28381	0.4
60.25297	0.4
67.05524	2.3
69.07063	1.4
71.56793	0.5
79.05493	1.4
81.07060	5.6
83.08585	0.7
85.02949	0.5
89.91595	0.3
91.05464	2.6
93.07054	3.1
95.04946	0.6
95.08613	2.2
97.02884	0.4
97.10175	1.0
105.07024	1.4
107.04936	0.8
107.08604	3.5
109.10174	3.3
119.08582	1.0
121.06523	1.0
121.10153	1.1
123.11716	19.9
128.63579	0.4
131.96970	0.4
133.10172	0.4
134.03613	3.8
135.04424	1.6
135.11702	8.0
145.10135	0.5
147.11652	0.4
149.09538	0.4
149.13268	1.5
151.03905	11.6
168.04245	0.5
168.05800	0.4
175.11292	0.5
183.08118	0.5
196.05206	0.8
197.05902	0.4
200.08331	1.5
203.07050	0.7
203.17838	0.4
205.19514	6.5
211.07588	2.0
224.04684	1.5
227.07014	6.4
228.07837	5.1
239.07030	5.4
243.10196	1.6
255.06633	0.5
256.07434	1.1
267.06543	5.9
267.10117	1.0
283.06061	5.5
284.06796	20.4
299.09149	100.0
300.09500	1.2
301.10156	0.4
347.15396	0.9
349.12796	0.4
364.14474	0.8
365.16333	0.6
503.33606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37436	1.5
57.03431	5.0
59.04981	1.9
67.05489	2.8
69.03443	13.5
69.07065	3.8
71.02103	3.9
71.04997	2.2
73.02906	1.6
79.05490	4.5
81.03402	1.7
81.07043	9.8
83.04961	1.6
83.63085	1.8
85.02930	10.8
85.06547	6.9
86.09644	1.5
87.04476	6.9
91.05482	8.7
93.07033	7.1
95.08600	4.4
97.02901	10.4
97.06538	4.2
97.36878	1.4
99.08110	2.9
99.86780	1.4
103.03936	1.5
103.59566	1.4
105.07040	24.0
107.08605	8.2
109.02863	1.6
109.06524	1.9
111.08138	1.5
111.13544	1.3
115.03957	8.6
117.07049	1.8
119.08594	13.1
121.10152	4.4
123.08054	2.4
127.03936	2.1
131.08568	22.3
133.04970	8.8
133.10138	100.0
135.08061	2.6
135.11674	3.1
143.08554	4.3
145.05028	1.7
145.10129	10.7
147.11685	11.3
149.09647	2.0
149.13246	4.3
156.09358	2.4
157.10173	2.2
158.10898	6.3
159.11707	1.5
163.14845	4.8
171.11697	2.9
173.13281	58.8
175.11296	1.5
175.14854	2.5
176.81723	1.4
191.14311	46.6
197.11696	3.9
209.15367	2.3
215.14330	4.3
233.15410	2.5
237.30460	1.5
241.29727	1.7
305.17578	3.3
316.66330	1.5
323.25842	2.6
388.47412	1.6
503.19073	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	503.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
56.14457	0.5
56.96559	0.7
57.03437	0.9
67.05505	1.1
69.03428	1.5
69.07085	0.8
71.58615	0.6
72.41952	0.7
81.07046	1.0
83.08608	0.6
85.02916	2.2
85.06507	0.8
91.05482	0.7
93.07033	1.6
95.04948	0.7
95.08604	0.9
97.02888	1.0
105.07038	1.5
107.08606	2.1
109.02881	0.9
109.10185	0.6
112.31469	0.6
115.01860	0.6
119.08554	1.3
121.10194	1.3
127.03750	3.7
133.10149	1.3
135.11720	0.6
137.06050	0.7
149.13264	0.9
150.04576	0.6
159.11700	1.4
167.03134	0.7
169.64323	0.6
173.13295	0.8
185.04262	0.7
189.16466	0.6
227.05252	0.8
236.65819	0.6
245.06433	2.3
255.15675	0.9
267.06509	1.4
271.04437	1.0
289.05295	2.4
289.08435	0.8
297.07516	1.5
299.08954	0.8
305.08615	0.7
313.16281	2.1
355.17453	5.0
363.08429	0.7
366.25464	0.6
399.16272	17.1
417.20944	2.3
459.21997	15.9
503.20996	100.0
504.21344	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	503.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
56.96556	0.8
67.05512	0.7
69.03440	1.4
69.07061	1.6
69.51043	1.9
69.51476	2.3
79.05485	0.7
81.03142	0.7
81.07043	1.5
83.04967	0.7
85.02926	2.7
86.09718	0.6
87.00800	1.0
91.05478	1.4
93.07010	1.5
94.25297	0.6
95.08575	1.8
97.02888	0.9
97.06499	1.0
98.97573	0.9
105.03392	0.9
105.07046	0.9
107.08598	1.8
109.10149	1.1
119.08553	1.6
121.10134	1.2
127.03764	2.5
128.53667	0.6
131.08502	0.6
133.10132	1.2
137.05939	1.1
145.10153	1.0
165.01787	1.1
167.03365	0.9
227.05327	0.8
255.06551	1.5
255.15610	1.5
265.08566	1.7
267.06528	6.8
268.07281	0.8
271.04089	1.0
279.06485	2.2
289.05258	0.9
293.07971	3.2
297.07553	8.6
299.09009	1.1
307.09573	2.9
313.16068	1.4
317.08081	1.2
321.07410	4.2
329.15610	1.1
335.09280	0.7
345.07938	1.0
355.17270	4.1
363.08655	5.5
371.16653	1.2
399.11575	1.0
399.16238	9.8
400.11469	0.6
417.20993	2.4
427.38345	0.7
432.28284	0.6
457.85031	0.7
459.22006	16.9
467.09720	1.2
503.20984	100.0
504.21036	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	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09841	0.6
53.03956	0.8
55.01874	1.2
55.05500	1.5
57.03428	1.8
60.13823	0.6
65.03954	0.8
66.68338	0.6
67.05503	1.3
69.03445	3.8
69.07072	1.7
69.39351	4.6
69.39755	1.3
70.06584	1.5
71.04990	0.8
79.05499	3.5
80.19920	0.6
81.03429	1.2
81.07062	5.1
85.02912	8.5
85.06541	2.6
91.05478	5.4
93.07055	4.9
94.04198	2.1
95.05006	1.3
95.08610	3.7
97.02927	3.3
97.06560	0.9
103.05454	1.8
105.07034	8.1
107.04951	2.0
107.08583	2.4
109.02883	2.3
109.06512	3.4
109.10156	2.4
111.08076	1.0
115.03968	0.8
115.05466	3.0
117.07010	1.8
119.04935	0.7
119.08572	4.2
121.06553	1.0
121.10147	2.5
122.03655	6.3
123.08134	0.8
123.11688	1.4
127.03934	2.1
128.06227	1.0
129.07021	1.9
131.04965	1.4
131.08578	2.2
132.05742	2.4
133.06497	4.3
133.10147	8.8
135.11795	0.8
137.05984	100.0
145.04982	1.1
145.06482	1.9
145.10187	1.9
147.04366	0.7
147.08051	3.0
147.11690	1.0
149.05939	1.1
149.13284	1.1
151.07454	0.8
151.11214	0.9
155.04974	0.7
159.08064	2.5
159.11708	0.8
160.05269	1.0
161.05986	14.3
161.13264	1.1
165.12715	0.7
171.08072	1.4
172.05200	1.4
173.05826	0.8
173.13274	4.1
175.07559	28.5
179.07043	1.5
184.05209	1.0
185.05939	0.8
187.07509	6.7
189.07324	0.6
189.09061	1.0
190.07843	2.0
191.08620	6.3
191.14395	3.5
199.07556	9.1
201.38580	0.7
202.07814	3.3
203.08546	3.5
208.08934	0.8
218.07324	1.6
219.08040	10.0
220.08846	1.9
231.08040	6.3
232.08795	1.1
233.09631	1.1
235.07483	1.3
236.08279	0.9
247.07547	4.1
248.08298	3.4
251.10710	11.5
255.06543	22.1
259.07663	3.2
260.08270	1.8
261.09247	1.2
263.10660	4.1
264.07922	1.7
267.13126	0.7
276.07858	2.2
277.08609	2.3
279.10138	8.4
280.11139	0.9
281.08139	1.0
291.10147	8.1
292.11023	1.9
295.13202	0.7
296.10458	1.6
308.10431	0.9
311.12820	22.7
323.12808	12.7
323.25732	0.9
355.59824	0.8
377.01785	1.8
419.96289	0.8
503.05753	1.1
503.21005	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	503.1191
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
51.22971	0.1
65.53759	0.1
67.01878	0.6
67.05484	0.2
68.99805	0.4
69.03419	0.2
69.07071	0.2
69.60173	0.6
71.50442	0.1
79.05485	0.2
81.03393	0.2
81.07072	0.3
85.02915	0.2
93.07026	0.2
95.08623	0.3
97.02919	0.2
97.06490	0.2
98.21489	0.2
98.97594	0.1
103.05463	0.9
105.03401	0.4
105.07014	0.2
106.72392	0.1
107.08587	0.2
109.02858	0.2
109.10155	0.2
119.08578	0.1
121.10118	0.1
123.11757	0.1
127.03898	0.3
129.01837	0.1
129.03369	0.5
139.05539	0.1
147.04398	0.5
153.01833	3.1
170.53070	0.1
171.02856	0.3
171.04271	0.2
173.13206	0.1
187.07600	0.3
209.05957	0.4
213.05571	0.2
231.06636	0.2
237.18416	0.1
255.06528	100.0
256.06873	2.0
267.06531	0.2
297.07635	0.2
299.09143	0.3
363.08716	0.1
417.11758	0.7
432.12338	0.1
503.11646	1.4
503.18350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1186
Annotation	Puerarin 6''-O-malonate
Peak:m/z	Relative Intensity
53.03950	1.0
55.01881	1.1
55.05521	0.6
55.98856	0.6
57.03434	1.0
61.02918	1.4
67.05490	0.8
68.99791	3.0
69.03415	1.1
69.07070	1.1
71.11584	1.7
79.05499	1.0
81.03404	2.2
81.07060	1.2
85.02909	6.9
87.00823	2.7
91.05495	1.8
92.99831	0.7
95.08594	0.9
100.14207	0.7
103.03940	1.3
103.05451	1.5
104.79982	0.8
105.03391	6.3
105.07033	1.2
107.08613	1.3
109.02870	2.7
121.02858	1.6
121.10133	0.9
123.11730	0.7
127.03854	1.1
129.01843	1.9
129.03322	3.1
131.04916	1.1
133.10158	1.4
141.01784	1.9
147.04417	2.4
149.02357	4.2
157.46881	0.6
162.38147	0.7
163.03911	2.7
165.01839	10.0
167.03418	5.9
177.01849	1.3
177.05472	1.2
181.05006	1.1
183.02940	2.9
187.03862	3.7
195.02870	0.8
197.06166	0.6
205.05014	1.2
213.05470	2.0
215.03333	1.7
223.07555	2.6
233.04419	0.9
239.07088	2.6
240.07893	1.4
243.02859	1.1
251.07043	17.1
254.05693	4.6
255.06541	6.2
261.09082	1.0
263.07025	3.8
265.08624	12.7
267.06540	73.7
268.07288	11.3
269.07950	1.0
279.06534	22.2
279.10135	5.6
281.04483	2.0
281.08115	4.5
284.06992	0.7
289.08618	7.2
291.06589	3.3
292.07291	6.9
293.04520	2.2
293.08069	35.0
294.08572	0.8
295.06073	1.7
297.07590	100.0
298.07870	3.1
299.09204	8.2
303.06522	1.6
307.06232	1.1
307.09610	27.1
317.08078	13.9
319.06085	1.3
321.07593	45.0
322.07880	1.2
333.07458	0.7
335.09070	6.0
345.07617	14.0
351.08621	2.0
363.08618	66.2
364.09015	2.6
381.09741	5.5
399.10696	3.8
399.15945	1.8
405.09680	1.7
423.10779	1.7
449.08600	2.7
459.22028	0.8
467.09714	22.9
485.10663	6.3
503.13000	1.3
503.20862	11.5
503.32062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89356	0.6
55.01865	0.7
57.03440	1.2
68.99802	1.4
69.03420	0.9
69.07065	0.8
70.92994	0.6
71.25467	0.5
71.56496	0.7
77.86790	0.5
79.05494	0.8
81.03413	1.0
81.07051	1.2
85.02913	7.7
87.00811	1.6
91.05474	1.5
93.07029	1.0
95.08633	0.7
95.67646	0.7
97.02907	1.4
99.04427	0.6
103.05412	0.9
104.62463	0.6
105.03428	3.8
105.06987	1.1
109.02880	1.5
115.05428	0.8
119.08605	0.9
121.02904	1.0
121.10144	0.6
123.11694	0.6
127.03932	0.8
129.03383	1.8
129.93068	0.6
131.04965	0.6
132.74347	0.6
133.10112	0.9
137.05994	0.6
141.01863	1.6
145.10139	0.9
147.04414	2.1
147.11795	0.5
149.02379	2.1
159.04373	0.7
163.03929	0.6
165.01854	11.2
167.03400	2.4
167.05603	0.6
167.08644	0.6
171.02928	0.9
177.01862	0.9
181.43823	0.6
183.02878	2.9
187.03914	1.8
195.02760	0.6
213.05489	1.3
215.03514	0.9
223.07614	0.6
239.07085	1.0
243.02943	0.7
251.07022	8.6
254.05722	1.6
255.06569	6.1
257.04553	0.7
263.07047	1.4
265.05600	0.7
265.08627	3.3
267.06543	100.0
268.07251	6.6
277.08554	1.6
279.06543	10.3
279.10181	2.1
281.04517	0.8
289.08597	3.0
291.06586	2.0
292.07382	1.5
293.04535	1.8
293.08081	7.3
295.05991	1.6
297.07605	46.7
298.07877	1.7
305.08102	7.6
307.09683	14.2
308.10037	0.6
317.08209	3.6
319.05951	1.6
321.07529	3.3
333.07614	30.9
334.07925	1.1
335.09039	2.3
345.07654	10.4
351.08658	21.3
363.04242	0.9
363.08688	17.9
381.09790	7.6
399.10944	1.0
485.10602	3.7
503.11490	1.0
503.21313	2.3
503.30890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.5
54.44709	0.6
55.05489	1.1
57.03418	0.6
62.50802	0.5
67.05497	1.4
69.03427	1.6
69.07059	1.3
69.31480	4.7
79.05504	0.8
81.03394	1.2
81.07051	2.8
85.02899	1.8
85.06517	0.8
87.00864	0.7
87.76411	0.5
91.05476	0.9
93.07033	1.7
95.04982	0.8
95.08605	2.6
97.02877	0.9
105.07030	2.1
105.31648	0.5
107.08604	1.9
109.10132	1.2
119.08599	1.2
121.10142	1.1
123.02763	0.5
123.08139	0.6
127.03935	1.7
131.08527	0.7
133.10117	1.6
134.09811	0.5
135.11665	0.8
143.08543	0.7
145.10083	1.0
147.11691	1.0
161.13217	1.0
166.37761	0.6
177.05516	0.6
217.15942	0.6
226.39542	0.5
235.16864	1.5
245.06422	0.5
253.17775	11.4
271.06204	3.5
281.17523	0.6
288.87979	0.5
370.77466	0.6
397.22025	2.1
415.23022	12.0
439.22845	1.9
457.24100	35.0
458.24008	1.0
483.22006	18.7
484.22269	0.8
501.23071	100.0
502.23337	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	501.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72937	0.6
53.81374	0.7
55.05481	0.6
55.95758	0.6
67.05505	1.6
69.03446	1.1
69.07070	1.3
69.43642	2.6
69.44067	2.3
79.05499	0.9
81.03415	0.7
81.07033	1.7
85.02888	1.4
91.05477	1.1
91.74537	0.6
92.06046	0.6
93.07045	1.5
95.08598	2.2
97.02929	0.9
105.07027	1.3
107.04969	0.8
107.08595	1.3
109.02930	1.0
109.10164	1.0
111.16725	0.7
117.06893	0.6
119.08600	1.0
121.10173	1.3
127.03917	1.1
133.10123	0.9
135.11708	1.1
154.56534	0.6
163.79587	0.7
177.16451	1.1
226.51115	0.7
227.05382	1.1
235.16910	0.8
253.17787	8.9
262.26816	0.7
271.06030	1.4
281.17123	0.9
289.05469	0.7
397.21780	1.1
415.23029	11.3
439.22787	1.8
457.24109	30.8
458.24570	1.4
465.62045	0.7
483.22000	15.2
501.23087	100.0
502.23343	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95503	0.2
55.73507	0.2
65.22581	0.2
67.05473	0.2
69.07066	0.3
70.06583	0.2
71.57539	0.2
73.07281	0.2
81.03437	0.3
81.07070	0.4
85.02905	0.5
86.09724	0.3
89.03902	0.3
91.05473	2.1
93.07036	0.3
94.97641	0.2
97.02908	0.3
102.05595	0.3
104.05001	0.3
105.06966	0.3
107.08587	0.3
109.29694	0.2
117.03372	1.2
117.05730	1.2
118.05694	0.4
118.06545	8.1
133.07610	0.7
145.02908	3.2
145.07610	100.0
146.07935	1.0
147.04417	0.3
147.11800	0.3
149.06055	0.4
149.09552	0.3
163.08670	11.4
177.05457	4.0
204.06810	0.2
235.16791	0.3
321.09668	0.3
321.13159	0.4
323.14511	0.4
325.13843	1.0
351.40634	0.3
408.65768	0.2
501.18719	20.0
502.19510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66032	0.5
58.95025	0.4
68.55814	0.7
69.07044	0.5
69.22923	4.6
69.23336	1.1
70.65057	0.5
91.05457	1.5
98.20739	1.0
105.07016	0.7
112.81049	0.6
119.08580	0.8
120.56218	0.5
187.91505	0.6
205.45734	0.5
225.17014	0.6
279.06299	100.0
280.06659	1.7
281.07663	0.7
281.72220	0.6
297.07208	0.6
311.07990	0.6
320.08966	2.5
416.78210	0.6
417.19125	1.7
435.20258	2.1
453.21204	1.1
471.22440	0.9
499.24585	68.7
499.37070	4.3
500.25394	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	499.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01859	4.6
55.05264	2.6
55.05515	31.5
57.03441	29.0
57.07077	8.2
61.02643	3.1
61.02930	55.8
62.10223	2.5
65.03924	3.9
67.05507	86.1
69.03426	32.4
69.07067	38.1
69.38660	2.2
71.01340	6.6
71.04977	7.6
71.08648	3.9
71.58251	2.4
71.58668	3.4
73.02924	28.3
79.05051	3.4
79.05496	36.1
81.03414	24.7
81.07058	100.0
83.04977	7.5
83.08620	24.5
85.02906	60.5
91.03957	36.0
91.05475	26.2
93.07042	33.9
95.04977	6.9
95.08612	72.4
97.02890	51.1
97.06544	4.7
97.10169	12.2
99.04492	13.8
99.08092	2.8
101.02375	9.6
103.03935	9.1
105.07023	26.0
107.04971	3.2
107.08604	25.6
109.02859	8.6
109.06527	4.0
109.10161	29.8
111.04504	2.9
111.08070	4.8
111.11699	2.9
115.03962	4.5
117.05490	3.0
117.07020	6.4
119.08588	19.0
121.06590	2.7
121.10157	17.3
123.11707	17.0
125.09603	5.1
127.03909	17.5
129.05482	7.1
131.08566	8.3
133.06496	3.1
133.10132	12.0
135.04381	2.9
135.11722	12.5
137.09633	4.7
137.13229	5.8
139.11156	3.1
141.06935	2.7
143.08604	6.1
145.04973	10.3
145.06456	3.2
145.10147	7.2
147.04451	2.7
147.11679	11.3
149.13252	7.6
151.11194	4.3
151.14822	3.2
151.21179	2.2
157.10098	5.0
159.06529	2.8
159.11679	6.5
161.13220	8.4
163.14848	8.4
164.74414	2.2
167.14252	3.2
167.80988	2.1
169.10225	4.4
173.13301	6.4
175.14851	7.2
177.12721	3.0
179.14288	3.8
183.06595	3.0
183.78279	2.4
187.11208	2.5
189.16373	5.3
201.07681	5.3
203.07123	14.9
211.14940	3.0
243.10098	6.6
245.22678	11.0
263.23746	21.5
275.23627	3.4
287.23602	3.0
297.14572	3.4
303.23102	3.7
317.24734	2.9
329.24496	3.7
337.27365	83.2
338.27704	3.2
347.25720	3.2
371.25635	9.2
389.26691	3.8
407.27618	2.4
423.66678	2.5
445.29205	3.9
463.30655	4.1
481.31482	3.3
499.20993	4.4
499.31845	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2154
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
51.15044	0.6
57.30993	0.6
61.42667	0.7
70.06601	1.0
71.58412	1.2
72.08131	0.6
81.03436	0.8
81.07055	1.3
85.02922	1.6
87.00879	0.7
95.04980	0.8
95.08641	1.2
97.02921	1.0
97.06459	0.7
105.07065	1.0
107.08587	0.8
109.02911	1.8
121.10196	0.8
123.08043	0.6
127.03860	0.7
137.05963	1.2
177.05542	0.9
179.51845	0.6
209.21773	0.8
233.15317	0.9
236.30881	0.7
249.14948	1.5
251.16284	2.9
271.04279	1.3
289.05441	1.7
413.21432	9.6
437.21539	0.7
442.85464	0.6
455.22556	17.6
499.21594	100.0
500.22076	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	499.2153
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
50.79310	0.2
55.05508	0.3
67.05494	0.3
69.28256	1.1
69.28686	1.2
81.07039	0.6
83.08620	0.3
85.06539	0.5
87.83686	0.2
93.07043	0.4
95.08636	0.4
99.08089	0.6
99.40369	0.2
107.08607	0.5
109.10172	0.5
127.00099	0.3
135.11751	0.3
185.04236	0.5
193.15907	0.6
227.05283	1.1
229.03194	0.4
233.15271	0.4
245.06395	1.2
251.16127	0.8
271.04263	1.5
278.52316	0.3
289.05441	1.7
293.17575	0.3
395.20087	0.8
413.21402	4.5
437.21246	1.9
455.22552	14.6
456.22842	0.3
481.20303	1.6
497.73639	0.3
499.21545	100.0
500.21796	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	499.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05500	1.4
67.05504	1.3
69.03432	1.5
69.07053	1.0
71.04998	0.8
71.58561	0.9
79.05491	0.9
81.03455	0.6
81.07043	2.7
85.02898	1.5
85.06544	0.9
86.09717	0.6
88.47540	0.7
91.05468	1.4
93.07047	2.0
95.04967	0.8
95.08605	2.5
97.06542	0.6
98.97636	0.6
99.04443	0.8
99.08079	1.7
103.03969	1.5
105.07043	1.1
107.08597	2.1
109.02872	1.5
109.10151	2.4
115.52627	0.7
119.08598	3.7
121.10198	0.7
127.00089	1.4
127.03934	3.3
131.08623	0.8
133.10120	5.5
135.07994	0.7
135.11694	1.4
137.09657	0.6
145.10112	0.8
153.12720	1.2
159.11703	0.6
167.03149	0.7
173.09726	0.6
175.14813	3.5
202.98691	0.7
233.15236	1.9
251.16203	5.4
261.74982	0.6
271.04327	1.2
279.15710	0.8
285.74728	0.7
289.05200	1.2
293.17157	1.4
337.06723	1.6
395.20551	4.8
413.21408	7.9
437.21527	1.6
455.22559	20.7
456.23013	0.7
481.20712	4.4
499.12567	8.9
499.21515	100.0
500.21887	2.8
515.28888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	12.6
54.20110	3.8
55.01873	10.0
55.05505	6.3
57.03426	9.7
57.07062	13.1
59.05008	42.7
61.02912	7.2
63.64451	5.3
63.73951	4.8
67.05486	6.2
68.99781	5.7
69.03436	45.6
69.06768	3.8
69.07083	33.0
71.04987	6.7
71.08620	6.6
71.57900	6.5
73.02921	9.2
73.06551	11.1
81.03415	29.5
81.07073	9.2
83.08620	4.6
85.02440	6.0
85.02913	100.0
85.10168	8.5
87.00833	48.7
87.04467	9.7
91.05421	5.9
91.67483	4.5
93.07066	5.4
95.04926	7.2
95.08636	5.4
97.02899	51.3
97.10141	10.0
98.97570	5.6
99.04454	12.7
100.26561	4.8
105.01872	71.8
105.05499	27.4
107.08611	5.5
109.02888	33.0
109.10144	14.2
111.11726	53.1
121.06532	6.3
124.03941	20.6
127.03925	68.9
127.11211	27.6
129.12767	99.5
145.04936	35.9
145.12207	6.7
159.02904	14.5
213.03944	8.7
215.16428	8.8
231.05022	21.1
233.17491	6.6
249.06094	12.0
313.11823	13.5
318.20728	4.7
336.21719	11.1
341.11343	9.7
373.14017	42.9
480.21368	5.4
498.20261	13.8
499.21213	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05500	1.4
67.05504	1.3
69.03432	1.5
69.07053	1.0
71.04998	0.8
71.58561	0.9
79.05491	0.9
81.03455	0.6
81.07043	2.7
85.02898	1.5
85.06544	0.9
86.09717	0.6
88.47540	0.7
91.05468	1.4
93.07047	2.0
95.04967	0.8
95.08605	2.5
97.06542	0.6
98.97636	0.6
99.04443	0.8
99.08079	1.7
103.03969	1.5
105.07043	1.1
107.08597	2.1
109.02872	1.5
109.10151	2.4
115.52627	0.7
119.08598	3.7
121.10198	0.7
127.00089	1.4
127.03934	3.3
131.08623	0.8
133.10120	5.5
135.07994	0.7
135.11694	1.4
137.09657	0.6
145.10112	0.8
153.12720	1.2
159.11703	0.6
167.03149	0.7
173.09726	0.6
175.14813	3.5
202.98691	0.7
233.15236	1.9
251.16203	5.4
261.74982	0.6
271.04327	1.2
279.15710	0.8
285.74728	0.7
289.05200	1.2
293.17157	1.4
337.06723	1.6
395.20551	4.8
413.21408	7.9
437.21527	1.6
455.22559	20.7
456.23013	0.7
481.20712	4.4
499.12567	8.9
499.21515	100.0
500.21887	2.8
515.28888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.2
55.05516	0.8
56.05058	0.8
57.03446	1.8
63.02412	0.8
67.05528	0.9
69.03438	3.7
69.07102	1.1
70.06608	2.6
70.69539	1.9
72.08158	1.3
73.02937	0.8
74.65755	0.8
79.05508	0.7
81.03413	4.4
81.05826	0.8
81.22221	0.6
83.04993	1.7
85.02924	4.8
85.06555	0.6
89.03925	6.0
91.05491	1.9
93.07059	1.2
93.60386	0.7
96.08141	19.5
97.02905	1.6
97.08939	0.9
101.46745	0.8
105.07039	1.9
105.37257	0.6
107.05019	0.7
107.08607	1.7
109.02881	1.7
109.06570	1.0
109.10171	1.5
114.09175	51.8
117.03394	19.8
119.04968	0.7
121.06522	0.8
121.10174	1.2
122.01107	0.8
127.03974	1.1
128.10727	2.4
133.10147	0.9
134.03677	1.2
135.04382	1.2
137.05997	1.1
141.72906	0.7
142.08650	10.0
145.02858	55.3
146.06039	1.1
147.04454	1.6
147.11647	0.8
149.06001	7.4
152.07082	0.7
160.09703	100.0
161.09917	0.9
163.07536	1.6
167.07022	2.3
175.03894	0.8
177.05479	98.4
181.08597	1.8
187.13214	1.0
191.14326	0.7
195.06517	0.8
197.61594	0.7
211.09698	3.7
239.69000	0.7
248.98915	0.6
255.51935	0.7
289.05225	3.8
290.05621	2.0
292.13821	1.1
321.09885	3.8
322.11490	1.0
322.14981	12.8
336.17926	2.1
339.10675	4.7
442.16531	0.7
454.17050	1.0
465.86520	0.8
480.18658	3.0
480.25330	0.8
487.36224	0.8
498.19427	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	498.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
55.01871	7.6
55.05502	6.9
57.03435	8.3
57.07070	10.9
57.83994	2.4
59.05011	38.2
61.02927	5.9
65.24237	2.4
67.05501	3.0
68.99754	3.6
69.03432	35.2
69.07076	35.2
69.38257	18.8
71.04993	4.3
71.08632	4.0
73.02921	6.1
73.06543	10.0
76.75487	2.4
77.06028	3.2
81.03424	25.3
81.07041	5.4
85.02911	80.7
87.00840	47.8
87.04459	7.3
91.05478	3.6
93.07074	4.7
95.08671	2.7
97.02904	44.3
97.06533	3.2
98.97590	6.4
99.04434	12.0
105.01878	71.0
105.05513	17.5
107.08554	2.7
109.02892	35.9
109.10152	3.4
111.11720	44.9
112.12077	2.8
117.01865	3.6
125.26296	2.9
127.02975	3.4
127.03932	69.7
127.11190	2.9
129.01846	3.9
129.12772	100.0
131.35516	2.7
133.10210	2.6
145.04950	36.4
159.02904	14.5
166.08588	3.7
200.23499	3.0
213.03969	5.6
215.16403	5.9
231.05014	27.1
249.06053	9.1
290.05405	3.0
326.79703	2.8
454.19214	3.8
455.22406	7.4
498.19385	21.1
498.26306	2.7
499.21826	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3605
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
51.20218	0.8
55.05508	2.7
67.05496	2.5
69.07060	3.7
69.30978	6.3
69.31403	2.7
79.05505	2.2
81.07059	4.7
91.05479	6.8
93.07041	3.9
95.08623	3.1
105.07012	4.5
107.08611	3.2
109.06493	1.0
109.10166	3.5
114.59380	0.8
115.36196	0.8
117.06981	1.1
119.08627	3.7
121.10167	3.1
123.11716	1.0
131.08623	1.7
133.10152	2.4
143.08614	1.4
145.10138	2.5
147.11745	1.2
155.08534	1.1
157.10155	1.4
159.08067	1.3
159.11700	2.0
161.02328	1.1
161.05989	1.1
167.08655	1.0
175.07639	1.4
177.08969	1.4
189.09102	1.9
195.08037	1.6
196.42520	1.0
198.06854	1.2
199.07515	1.0
203.07079	7.5
210.06944	1.3
211.07605	3.3
213.09178	3.4
224.08456	1.1
225.09094	8.7
238.66924	0.9
241.12543	0.9
253.12354	1.3
271.58478	1.0
277.17737	7.9
279.06332	6.2
279.13736	1.4
281.15186	1.2
294.16299	3.4
295.17010	2.9
299.90628	1.0
313.21478	4.4
321.14969	2.6
329.20938	4.0
340.69241	1.0
361.11002	1.9
381.27719	1.6
397.27145	3.4
411.28873	1.0
427.15466	2.6
429.16733	1.4
465.21271	1.0
465.33563	1.9
469.23947	1.8
479.21933	1.4
479.34937	9.1
497.23505	42.0
497.36105	100.0
498.23932	1.7
498.36728	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	497.3607
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
63.75268	0.4
67.05499	1.3
69.07071	1.1
72.64930	0.4
78.42565	0.4
79.05519	0.8
81.07071	1.6
87.80538	0.4
91.05477	2.6
93.07050	1.3
95.08628	1.2
95.64286	0.5
105.07041	2.5
107.08612	1.1
109.10190	0.9
115.05434	0.5
117.07065	0.8
119.08601	1.6
121.10194	0.8
123.11738	0.7
131.08647	0.9
133.10153	0.8
133.29042	0.4
135.11710	0.5
143.08580	0.9
145.10173	1.7
147.11711	0.7
159.11684	0.6
173.06017	1.2
201.05548	1.6
201.16397	0.8
203.07091	1.9
206.05402	0.4
267.10229	1.0
277.17892	1.0
279.06381	4.0
279.10272	1.8
295.05939	0.7
357.18512	0.6
375.19604	0.8
439.29941	0.9
452.66302	0.5
479.35052	0.8
493.46780	0.5
497.23331	6.1
497.36130	100.0
498.36420	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	497.163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10951	0.5
66.72227	0.6
67.05486	0.7
70.06554	0.9
70.30859	1.7
72.08118	0.6
78.69112	0.5
79.05453	0.6
81.07044	0.7
85.02885	0.6
85.06511	1.1
86.09660	0.7
91.05426	1.1
93.07004	1.1
95.08543	0.5
101.18370	0.6
105.06982	1.3
107.08535	1.0
109.90158	0.5
114.09097	0.8
117.03331	0.7
119.08520	1.4
121.10093	0.8
127.03842	0.8
145.02802	0.9
145.10086	0.7
147.55544	0.5
158.41615	0.6
160.09641	1.6
164.13129	0.6
177.05322	1.2
209.61711	0.5
213.18369	0.9
248.10185	0.8
249.10861	0.6
258.72540	0.5
268.70013	0.5
271.04272	1.1
289.05310	10.2
453.16547	2.3
453.20758	2.1
462.37073	0.5
479.19174	6.0
497.15793	100.0
498.16373	2.2
508.36417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.3
58.67335	0.3
69.03432	0.4
69.59203	0.5
69.59608	2.0
79.05495	0.3
81.07060	0.8
84.04517	0.7
87.08375	0.3
91.05479	0.4
93.07072	0.4
95.08607	0.7
107.08634	0.5
109.10157	0.4
110.07329	0.3
115.86614	0.3
119.08534	0.3
121.10130	0.3
125.63506	0.3
130.06561	0.6
135.11824	0.3
153.09114	0.4
154.58926	0.3
157.07620	0.4
158.06110	0.4
162.95399	0.3
227.05325	0.8
245.06451	0.3
249.14658	1.6
271.04288	0.5
277.14136	0.5
289.05399	0.8
291.15637	0.6
314.11423	0.4
393.18991	0.6
411.19916	10.8
412.19995	0.4
435.19891	0.7
453.20987	28.3
454.21472	0.9
479.18616	0.7
497.19962	100.0
498.20410	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	497.2
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78652	0.6
56.97911	0.5
70.73378	0.9
70.73688	0.6
75.17493	0.6
75.67914	0.7
81.07056	1.4
85.02888	0.7
93.07069	1.1
95.04984	5.6
97.06580	0.9
99.04445	0.9
105.07043	0.8
109.02887	0.6
109.10203	0.7
119.08548	0.9
121.10159	0.9
127.03935	0.8
128.07097	1.3
145.10182	0.9
153.09055	0.7
175.07318	5.4
231.13579	7.7
245.06412	2.3
249.14656	1.4
289.05283	13.2
289.08206	1.0
411.19702	3.9
453.20963	18.4
454.21652	1.1
467.18939	1.6
479.18759	1.2
497.19958	100.0
498.20224	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	497.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.2
58.59904	6.1
61.02902	5.7
64.06994	5.5
67.05488	12.4
69.03438	57.6
69.47340	48.0
79.63643	6.4
81.03419	57.3
81.07092	6.3
83.04979	9.5
84.91201	11.2
85.02906	100.0
87.00833	30.1
91.05501	9.1
93.07014	8.1
95.04955	13.7
95.08649	7.0
97.02909	31.0
97.06486	6.9
97.59328	6.5
99.04446	19.1
103.03983	8.7
105.01871	15.5
109.02894	52.3
109.10120	6.4
111.04435	13.1
123.04442	10.7
125.02403	7.9
127.03926	91.1
133.10188	8.3
142.40198	5.4
145.04970	9.1
147.02814	6.1
147.04326	7.7
151.03925	12.2
153.05482	12.4
163.20999	5.9
168.99643	6.3
169.04945	14.5
187.06079	11.0
189.03955	19.1
193.05000	6.6
213.03986	10.6
231.05048	13.2
235.05858	9.2
249.14490	8.4
273.06107	29.7
289.05389	6.5
304.23260	6.7
350.93600	6.1
357.61801	5.9
360.00235	7.1
446.34174	6.8
453.21078	12.1
485.30524	6.8
497.19669	48.5
497.26956	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	496.3403
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.64474	0.3
53.77066	0.3
55.05507	0.4
56.05040	1.4
56.51809	0.2
57.03430	0.6
57.07082	3.1
58.06580	1.6
59.07370	0.3
60.08168	17.3
67.05496	1.0
69.07059	0.7
70.06443	1.3
71.07380	7.2
71.08636	2.1
81.07061	0.7
83.08631	0.6
85.10188	1.3
86.09710	50.6
93.07059	0.3
95.08611	1.3
97.10160	0.3
98.20827	0.4
98.98466	4.0
104.10749	100.0
105.06995	0.3
105.11066	0.5
109.10181	0.6
125.00011	29.6
128.67039	0.3
131.01283	0.2
135.11624	0.3
163.01595	0.6
184.07350	94.0
185.07750	0.4
241.91418	0.3
258.10983	1.3
259.09641	0.3
296.54303	0.3
306.08801	0.3
313.27271	1.7
318.51614	0.3
419.25616	0.5
478.26224	0.6
478.32993	9.2
496.34027	29.8
497.34277	1.1
505.49210	0.3
506.84518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36866	3.5
55.05513	16.5
57.03443	6.4
57.07062	4.0
61.40957	3.4
67.05487	7.4
69.03440	16.5
69.07067	29.7
69.25620	8.6
69.26025	31.2
70.44927	3.6
71.05002	8.0
73.03017	3.4
79.05493	5.3
81.03412	7.3
81.07061	21.9
81.46165	3.5
83.08611	8.1
84.08144	4.7
85.02916	22.9
85.06561	18.2
87.00853	9.7
93.07058	14.1
95.08624	26.3
96.08134	6.3
97.02899	8.6
97.10191	7.1
98.97608	5.6
99.04444	4.5
99.08125	10.1
105.01839	7.2
107.08579	18.3
109.02865	6.5
109.10159	14.7
111.08153	4.8
113.09650	6.7
119.08589	5.6
121.10182	18.8
123.11696	6.6
125.09686	5.4
127.03938	18.7
128.10724	9.6
135.11716	17.7
137.13289	12.9
149.13394	4.0
153.12779	6.7
155.10440	4.1
161.74367	3.7
167.14328	16.0
177.16406	45.2
193.38338	3.7
195.17473	32.6
209.11713	4.9
213.18507	100.0
214.18745	4.1
231.04951	4.6
289.05270	10.1
404.12097	3.8
453.21622	4.9
461.23935	33.9
496.18854	38.6
497.20404	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	496.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.1
55.05506	17.3
57.03430	6.7
58.83862	4.2
60.84781	4.1
65.18777	3.7
67.05493	6.4
68.43890	4.0
69.03429	9.1
69.07082	35.3
70.06612	4.7
71.04990	8.5
71.58367	6.1
72.11115	5.0
79.05491	5.4
81.03419	7.9
81.07065	23.8
83.04996	10.9
83.08617	9.0
84.08125	12.3
85.02915	26.5
85.06556	23.8
87.00803	7.7
91.05492	4.8
93.07058	10.8
95.04956	5.0
95.08608	28.7
95.31382	5.1
97.02872	4.5
97.10183	11.5
99.08092	12.0
105.01856	6.7
105.07079	5.6
107.08588	19.5
109.02898	12.6
109.10152	18.1
111.11716	10.5
113.09644	10.8
121.10154	28.4
123.11672	8.7
125.09593	7.9
127.03909	18.5
128.10696	4.6
135.11700	14.2
137.06017	7.2
137.13254	11.4
145.04893	6.6
151.14877	4.0
153.12732	7.7
167.14322	7.8
177.16402	63.8
195.17416	33.0
205.05095	4.0
213.18512	100.0
229.49001	5.4
231.04964	6.5
461.23898	31.6
496.18552	25.4
497.19638	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	496.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.05508	11.2
57.03428	6.7
57.07086	4.4
59.04999	2.9
59.48801	2.7
67.05512	13.4
69.03419	7.2
69.07079	8.4
69.41438	12.9
69.41843	4.1
70.06573	2.9
71.04995	10.0
73.02922	3.4
73.06557	5.1
76.21026	2.4
79.05489	10.1
81.03416	8.1
81.07062	33.1
83.04975	4.3
83.08609	6.3
85.02906	21.2
85.06550	2.7
87.00821	7.8
91.05493	16.5
93.07024	5.4
95.01372	2.7
95.04974	4.6
95.08598	10.1
97.02875	11.9
97.06530	6.2
98.20718	3.9
98.97596	6.3
99.04445	2.8
99.08105	2.9
100.11265	2.5
105.01842	6.2
105.07044	16.0
107.08585	8.6
109.02853	5.5
109.06493	5.5
109.10162	7.5
119.08600	9.7
121.10152	7.9
123.04451	3.5
123.08095	4.3
123.11710	12.0
127.03918	12.9
127.11198	100.0
127.12137	5.4
129.06949	2.6
137.06009	3.0
141.01845	4.3
145.04950	6.4
145.12234	9.4
147.06767	2.8
147.11693	37.8
157.10190	2.3
159.02882	2.7
161.09674	2.7
165.12744	13.2
166.08682	4.9
175.03999	2.2
175.11160	2.5
184.23734	2.0
229.14377	4.8
231.15921	9.1
267.15958	40.5
285.16983	89.9
286.17462	3.1
416.24298	16.7
419.38657	2.6
422.80170	2.4
434.25314	10.0
453.20886	3.7
460.27310	3.5
461.20053	6.7
478.27982	8.6
485.38058	2.6
496.17422	4.9
496.29047	3.0
497.20013	15.6
497.26312	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	495.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29206	2.0
69.29713	8.6
69.30140	10.0
70.06590	10.2
81.07068	4.0
87.09235	100.0
91.05508	1.8
95.08594	3.1
98.20723	4.5
103.76363	1.8
105.07059	2.4
119.08586	3.4
207.06633	2.9
207.75851	1.9
240.81627	1.8
255.98782	2.1
431.97516	1.9
435.80750	2.0
495.34009	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	496.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01885	0.7
55.05527	0.7
56.96558	2.3
57.03431	3.0
59.65706	0.7
61.02927	3.4
61.03168	0.6
69.03433	8.7
69.65128	0.7
70.06591	0.8
71.04997	1.7
71.58038	1.1
72.08153	2.2
73.02911	2.1
79.05496	0.9
81.03424	3.9
81.07051	0.7
83.04979	1.7
84.08137	1.6
85.02908	31.6
85.06532	0.8
87.04464	1.9
91.03961	1.9
91.05486	14.1
95.04970	5.8
97.02895	9.9
98.09680	0.8
98.97569	4.6
99.04478	2.0
101.44955	0.6
102.09219	1.0
105.07024	1.4
109.02883	2.8
109.06505	1.1
110.05974	0.8
110.97603	1.2
112.07619	1.3
116.98606	1.2
119.04957	8.2
120.08096	0.7
120.56898	0.7
121.06530	1.2
122.02696	0.9
127.03904	7.0
128.98599	1.3
131.00136	1.0
135.08069	1.3
136.07590	0.9
137.05981	100.0
138.06401	1.6
141.05296	0.7
145.04951	10.0
147.04338	0.9
149.06020	1.2
151.07504	1.9
155.07047	10.3
158.99690	1.8
161.05957	1.9
163.06009	3.6
165.05502	0.7
167.07042	1.6
170.99690	0.8
172.09782	0.8
175.07561	1.3
177.00739	1.4
177.09113	1.0
179.07028	5.3
180.08725	0.7
189.00810	0.8
191.07037	0.7
195.10158	2.5
203.07043	1.5
207.60225	0.7
212.34851	0.6
213.11241	2.6
217.08554	1.1
218.49969	0.6
219.01775	2.5
221.08130	2.1
224.16307	0.6
232.89908	0.6
233.08229	1.0
237.02838	2.5
245.08153	1.4
251.09352	0.8
263.09235	4.3
281.10208	1.8
363.09363	0.7
380.48965	0.7
496.25323	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	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61678	4.7
53.03934	14.4
55.01869	13.6
55.05511	38.9
56.96569	17.6
57.03442	39.9
57.07064	5.6
61.02926	44.3
65.03918	7.3
67.05175	5.7
67.05511	86.5
69.03435	40.4
69.07054	32.1
71.01363	8.4
71.04997	13.8
73.02921	28.6
77.43140	5.1
79.05500	99.7
81.03425	59.9
81.07064	96.2
83.04975	23.3
83.08614	25.1
85.02906	59.0
85.06544	10.4
91.03952	18.6
91.04956	8.5
91.05483	100.0
93.07048	91.6
95.04983	34.9
95.08617	58.1
97.02896	48.0
97.06532	13.6
97.10176	12.4
98.97639	6.1
99.04465	11.6
99.08088	8.0
101.02389	6.8
103.03912	6.9
105.07030	94.2
107.04942	15.8
107.08603	57.2
109.02860	8.9
109.06511	21.1
109.10156	19.1
110.97616	5.8
111.08089	12.3
115.05476	11.1
117.07017	35.5
119.08587	68.7
121.06496	15.6
121.10132	40.9
123.08056	7.1
123.11726	8.0
125.09692	7.2
127.03896	20.6
128.06248	9.3
129.05444	5.9
129.06998	43.3
131.08562	55.7
133.06529	11.4
133.10138	44.7
135.08046	10.6
135.11707	24.2
137.05960	39.7
141.06979	10.2
142.07791	6.6
143.08556	27.9
145.06487	7.3
145.10159	54.3
147.08046	7.9
147.11681	41.6
149.09621	10.0
149.13326	11.2
151.11143	5.3
153.05421	7.5
155.08505	9.1
157.10136	32.8
159.07986	11.6
159.11716	23.8
161.06018	8.6
161.09595	11.2
161.13268	15.0
163.11139	13.4
167.07086	9.6
167.08534	9.6
169.10107	9.2
171.08031	5.6
171.11684	32.0
173.09625	9.7
173.13269	16.5
175.11194	12.1
175.14882	6.8
177.09058	6.7
179.07068	7.0
181.06601	6.2
181.10181	5.5
183.11707	19.2
185.09624	9.4
185.13246	11.5
187.14854	10.1
189.12727	6.5
193.12230	23.0
195.11655	8.0
197.13199	9.2
199.14795	11.3
201.12730	10.2
211.11516	5.9
211.13200	24.1
213.16385	5.6
221.13164	6.0
237.40875	5.7
238.30666	4.8
239.17831	8.8
241.19563	7.5
251.09508	6.5
255.06454	7.5
255.09048	6.5
259.20514	25.5
267.09039	26.8
267.16000	12.4
269.10687	6.3
271.20694	7.1
277.21719	13.3
281.04404	5.9
285.10117	18.6
299.11624	7.3
299.20071	5.7
301.21570	12.2
313.10510	6.2
316.11749	6.7
317.12881	7.2
321.22107	8.7
324.11703	7.7
325.21606	5.2
331.15805	5.6
333.24249	30.0
343.22870	6.2
349.16818	14.0
349.21106	5.8
361.23837	6.2
367.22696	19.4
375.25165	13.7
385.23804	13.9
387.25580	6.6
403.24585	11.7
417.26367	8.2
429.26453	8.8
441.26105	24.1
459.27362	21.6
477.28278	35.7
495.29547	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54048	0.5
55.01866	0.9
55.03070	0.5
55.05501	1.4
56.34105	0.5
56.96553	0.5
66.31721	0.5
67.05515	2.5
69.07069	1.8
69.86876	0.5
69.99127	1.2
69.99522	1.0
71.04993	7.0
72.64160	0.4
79.05490	1.5
81.07065	3.0
82.58723	0.5
83.08629	1.0
84.86876	0.5
91.05518	2.3
93.07043	2.4
95.04977	1.0
95.08611	1.2
97.06549	0.5
103.05510	0.5
105.07028	8.3
107.08578	1.4
108.55383	0.5
109.10192	2.4
115.05428	0.8
117.07031	1.8
119.08582	8.6
121.06548	0.7
125.05959	0.7
126.46910	0.4
127.11209	11.4
128.06189	0.6
129.06998	0.7
130.07782	1.2
131.08574	1.7
133.10114	1.5
141.05449	2.1
142.07683	0.5
143.08589	1.2
145.10132	24.2
147.08080	0.5
147.11694	0.9
149.02351	0.6
151.03879	0.5
153.05472	1.8
155.03329	0.5
155.08539	0.9
159.08035	0.8
159.11693	3.1
161.05981	0.8
167.03441	0.6
169.05014	3.6
173.06030	0.7
175.03949	1.5
177.05489	0.5
183.07979	0.6
185.05943	0.7
195.08089	1.6
198.06683	0.8
199.07513	1.0
201.05481	1.3
201.16382	5.2
203.07024	8.2
205.04933	1.3
211.07547	4.8
213.09137	4.4
217.04964	1.1
217.08517	0.7
219.17503	2.1
227.07048	1.1
229.04941	1.3
229.08636	5.6
231.06439	0.7
239.07072	1.8
241.08620	10.5
243.06500	2.5
243.10294	0.7
244.07333	4.5
257.08096	8.0
259.09674	100.0
260.09976	0.7
325.14420	0.6
459.25266	3.9
477.26337	9.6
495.20554	0.6
495.27548	4.0
495.34293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2745
Annotation	Artesieversin
Peak:m/z	Relative Intensity
51.93073	0.2
55.01873	0.5
55.05499	0.7
57.07054	0.3
61.00547	0.2
67.05499	0.8
69.07056	1.1
71.01756	0.4
71.02088	0.4
71.04646	0.5
71.04997	6.0
71.08620	0.3
79.05487	0.5
81.07047	0.9
83.08618	0.6
91.05464	1.4
93.07056	0.5
95.08597	0.5
97.02906	0.3
101.02394	0.4
103.05458	0.2
104.06242	0.3
105.07030	5.3
107.08570	0.6
109.10156	1.8
115.05446	0.4
117.07013	1.3
119.08588	5.7
121.10136	0.4
123.59363	0.2
127.10273	0.5
127.11206	9.2
130.07814	1.4
131.08633	1.2
133.10126	1.0
142.07849	0.3
143.08594	0.5
145.10133	20.7
147.11687	0.5
152.99249	0.3
155.08582	0.4
158.07173	0.3
159.08228	0.4
159.11705	1.9
167.08682	0.3
170.07188	0.3
171.08095	0.5
171.42044	0.3
173.05986	0.5
175.03896	0.7
183.08121	0.3
185.06003	0.4
188.06657	0.3
189.05452	1.0
195.08102	1.0
198.06721	0.5
199.07471	0.4
201.05566	0.5
201.09074	0.3
201.16423	3.7
203.03412	0.5
203.07091	0.7
205.04990	0.7
211.07545	3.2
213.09120	3.5
214.06299	0.3
215.07112	0.6
217.05008	0.7
219.17444	1.7
227.07137	0.3
229.04980	1.1
229.08603	4.8
239.07108	1.8
241.08617	7.9
242.05836	0.5
243.06427	2.2
244.07309	4.5
256.64868	0.3
257.08118	9.3
259.09674	100.0
260.10001	1.0
337.14096	0.3
349.14252	0.4
377.17389	0.4
385.17703	0.3
391.18869	0.4
459.25314	3.7
477.26422	9.4
495.27475	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	495.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59582	4.9
55.05502	13.2
67.05492	17.5
69.03429	15.2
70.06590	21.5
71.05003	7.0
71.35130	6.4
72.08167	15.2
72.80166	4.9
79.05499	6.7
81.03411	9.5
81.07063	13.1
85.02913	31.6
85.06532	10.3
86.09702	15.1
86.57429	4.9
91.05489	8.5
92.20456	5.1
93.07059	15.5
93.94178	4.6
95.04974	51.4
95.08610	14.5
96.50198	4.3
97.02914	7.9
97.06466	6.9
98.27687	5.5
99.04455	6.3
99.08092	37.3
105.06997	5.5
107.08618	14.5
109.02860	10.4
109.05621	6.2
109.10173	19.3
119.08618	12.3
120.08118	8.8
121.10178	7.6
127.03912	14.6
133.10175	16.0
135.11714	22.9
136.07565	8.4
137.06050	6.5
137.09619	25.9
145.05045	7.9
147.11703	6.8
153.05443	7.5
155.10674	19.9
173.13235	6.1
175.14897	10.3
193.15956	27.6
211.16942	100.0
229.18037	11.0
235.02325	5.7
255.11346	6.1
314.12030	6.2
318.10034	5.4
333.14441	15.6
427.12793	6.8
454.96411	5.8
495.17737	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	495.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
63.89594	0.9
67.05493	0.8
69.03449	0.9
69.28335	3.7
69.28760	2.6
81.03465	0.8
85.02898	1.4
86.09711	0.7
95.08595	1.2
97.02886	0.8
98.21500	1.4
105.06979	0.9
106.74522	0.7
107.08591	0.9
118.11011	0.6
119.08561	0.9
121.33162	0.8
127.00041	0.7
127.03943	1.3
135.11732	0.9
136.12039	0.9
189.63930	0.7
203.05309	2.3
211.17068	1.7
245.06389	5.6
247.13046	1.6
271.04163	1.6
287.03772	1.2
289.05313	54.4
409.18753	1.2
426.96140	0.7
437.64291	0.8
451.19458	9.3
460.57019	0.9
495.18420	100.0
496.18665	2.6
516.74396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1839
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
52.76801	0.6
59.99757	0.6
63.75755	0.7
67.95235	0.6
69.07082	1.0
69.40636	1.5
69.41048	4.0
70.06577	0.9
75.98588	0.6
81.03383	0.6
82.06567	0.8
84.08140	1.9
85.06550	0.7
89.09741	0.7
91.05505	1.0
93.07033	1.4
95.08617	0.7
98.97649	0.8
105.07034	1.2
107.08627	1.2
109.02847	0.8
109.10173	0.6
119.08601	1.3
121.10181	0.7
127.03966	0.8
139.01308	0.7
143.10495	0.7
146.78200	0.6
156.06584	0.7
164.07121	0.8
168.06538	1.1
171.13773	0.9
177.05536	0.8
177.62840	0.7
203.05321	1.3
205.12766	0.8
227.05376	1.3
229.12035	6.8
231.13646	2.0
245.06424	4.0
247.13120	3.7
271.04178	0.9
287.03564	3.4
289.05322	41.1
391.17691	0.9
409.18369	4.7
433.18463	0.9
451.19473	15.3
477.17758	1.6
495.18454	100.0
496.19009	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	495.184
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
54.20368	0.2
60.90031	0.3
62.02980	0.3
67.05501	0.5
69.24007	0.3
71.04985	0.3
81.07051	0.4
85.02912	0.4
93.07014	0.3
95.08620	0.5
98.20715	0.7
99.04471	0.3
99.08099	0.5
104.52432	0.3
109.06528	0.6
109.10164	2.1
118.51175	0.3
119.04723	0.8
123.08046	0.3
151.07584	1.6
162.06540	1.2
173.05736	3.4
177.03735	0.3
185.04286	0.3
203.05281	0.6
211.16901	0.5
212.17253	0.8
227.05307	0.4
229.12015	8.1
231.13600	0.5
245.06351	2.4
247.13040	6.6
281.50299	0.3
289.05292	5.4
289.08304	0.5
386.86322	0.3
391.17343	0.4
409.18387	5.4
451.19418	23.1
452.19678	0.7
495.18387	100.0
496.18805	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	495.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18870	0.5
53.64586	0.6
67.05519	0.7
67.16647	0.7
69.03408	0.8
69.07125	0.6
69.35198	2.5
69.35632	2.8
74.97347	0.8
78.57404	0.5
79.05518	0.9
80.03742	0.6
81.07057	1.3
85.02922	1.5
91.05479	0.7
93.07031	0.5
95.08616	1.1
105.07028	0.7
109.06549	1.0
109.10181	0.9
113.44499	0.5
113.69828	0.7
119.08611	1.2
121.10210	0.8
135.11728	0.7
163.11214	0.7
167.07144	0.8
173.05745	0.9
177.05502	0.7
181.76044	0.7
203.10320	0.8
229.12079	2.6
247.13062	6.3
275.12552	4.6
277.89883	0.7
289.05463	0.7
333.09784	1.0
391.17282	2.2
409.18475	13.6
410.18823	0.7
414.17087	0.6
451.19461	32.6
452.19479	0.8
495.18417	100.0
496.18842	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1293
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
53.03938	1.6
55.05518	3.2
57.03432	1.7
58.81176	0.5
60.12895	0.5
61.02934	0.6
65.03955	0.8
65.97487	0.7
67.05508	5.7
69.03438	3.3
69.07069	2.9
70.06583	0.7
70.86425	1.5
71.05000	2.7
77.03930	0.7
79.05500	6.8
81.03429	3.9
81.07062	6.0
82.65929	0.6
83.04986	0.9
83.08620	1.8
85.02902	2.3
85.06532	1.0
89.03924	1.6
91.05487	6.1
93.07047	6.4
95.01302	0.8
95.04961	3.6
95.08611	5.0
97.02893	1.7
97.10163	1.5
98.97587	1.2
99.04441	1.1
99.08070	0.8
103.05462	3.2
104.70884	0.7
105.03416	0.7
105.04537	0.6
105.07047	3.8
107.04967	7.4
107.08602	4.2
109.02880	2.4
109.06535	9.4
109.10149	3.8
111.04420	0.7
114.09162	0.6
117.03377	3.0
117.07036	1.5
118.04151	0.7
119.04948	1.4
119.08572	2.8
119.44931	0.6
121.06515	4.7
121.10144	3.8
123.00789	3.4
123.04490	0.7
123.08052	1.3
123.11716	1.1
125.09653	2.3
127.03947	1.8
128.06215	1.0
129.07013	1.9
130.94719	0.6
131.04916	3.1
131.08586	3.0
133.02831	1.0
133.06470	1.2
133.10133	1.3
134.03644	4.5
135.04408	3.2
135.08058	3.0
135.11679	0.8
137.02348	0.8
137.05992	1.7
139.11194	1.5
141.06894	0.6
143.08539	0.9
144.05667	0.6
145.02852	2.6
145.06494	1.0
145.10158	2.3
146.03636	1.8
147.04416	4.2
147.08000	0.9
147.11673	1.6
148.05254	0.7
149.05951	1.8
149.09639	3.1
151.03889	1.8
151.07603	0.6
152.01097	3.7
153.01848	4.6
153.05466	2.5
155.04913	7.1
155.06029	1.1
156.05588	1.1
159.11748	1.0
161.02480	1.0
161.05957	0.7
162.03113	4.1
163.03922	2.8
167.07036	1.3
168.05855	0.6
169.10083	1.0
170.02101	0.8
171.04419	1.1
172.05118	0.7
173.13310	1.6
175.11250	0.7
177.05499	5.7
178.06332	2.8
179.07019	2.0
183.04396	5.7
184.05162	1.8
185.05963	1.8
187.07568	2.0
187.14839	1.1
191.07050	0.8
191.14319	2.2
193.08623	0.9
197.05963	1.1
200.04686	2.9
201.05540	0.9
201.12737	1.0
203.03407	1.2
211.03908	6.2
212.04689	1.9
213.05504	1.7
219.13811	6.1
225.05486	2.4
227.07063	0.6
228.04182	2.5
229.05003	3.0
230.05737	1.0
233.15358	0.7
239.03369	7.3
240.04176	2.4
241.04947	4.5
242.05740	1.9
243.06548	0.7
245.08179	0.9
247.16911	0.6
255.02783	1.2
255.06497	0.8
256.03653	10.7
256.07300	1.9
257.04465	9.2
258.05194	2.3
258.22134	0.6
259.15329	3.7
267.02945	1.4
268.03674	2.3
269.04468	4.2
270.05402	0.6
271.06024	92.0
272.06470	3.5
273.06433	1.1
282.05029	0.7
284.06842	1.2
285.03964	3.1
285.07553	1.7
286.04718	8.6
286.07654	0.9
287.05475	2.5
293.17438	3.2
297.04193	0.8
297.07495	1.0
299.05521	37.8
300.06274	16.1
301.07068	25.7
302.07458	0.8
311.05481	1.4
313.07117	0.7
329.06750	0.7
343.08777	0.6
355.08002	0.6
365.06790	0.7
367.22604	1.5
385.23560	1.4
403.24603	1.2
451.13092	1.4
451.19199	1.3
459.21198	0.6
459.26797	1.1
462.09558	0.9
465.11810	7.2
477.11755	34.9
477.28482	3.4
495.12756	100.0
496.13141	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	495.129
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
50.77809	0.5
52.32877	0.4
53.03941	0.8
53.89920	0.5
55.05503	0.8
58.95921	0.3
67.01891	0.5
67.05494	1.1
68.99806	0.6
69.81148	1.5
79.05498	1.3
81.03417	0.7
81.07049	0.8
85.02896	0.6
91.05473	2.4
93.07041	1.6
95.04985	0.9
95.08635	0.6
98.98974	0.4
102.04694	0.7
103.05477	3.5
105.07032	1.4
107.04939	0.8
109.10165	0.6
117.07022	0.5
118.04173	1.4
119.04958	0.7
119.08605	0.4
121.02974	0.4
121.06503	1.8
121.10136	0.6
123.04467	0.6
125.02325	0.5
129.07057	0.5
130.04176	0.9
131.04926	3.7
132.05672	2.3
133.10201	0.5
135.04390	1.0
137.05946	0.5
140.04701	2.2
141.07063	0.4
145.06551	0.7
146.03645	3.1
147.04391	1.0
148.05185	1.0
149.05992	1.0
153.01831	7.0
153.05455	0.9
159.04494	0.4
159.24916	0.5
160.05293	1.3
161.02330	0.7
161.05983	1.3
162.03113	1.2
163.03880	1.4
166.06310	1.1
167.07053	2.1
173.02905	0.6
173.06038	0.8
175.11159	0.5
176.04721	1.8
177.05475	2.7
178.06241	3.4
188.75893	0.5
191.07039	4.8
192.07837	1.8
192.35667	0.4
193.12425	0.5
203.03412	5.8
213.05492	0.9
229.04999	7.0
241.04959	1.0
242.05737	9.9
253.04959	2.2
255.06476	0.6
257.04465	54.2
258.05234	17.0
258.29678	0.5
269.04440	1.8
270.05286	2.5
271.06046	2.0
285.03979	9.2
285.07019	0.8
286.04721	28.5
287.05518	20.6
297.03873	4.3
299.05649	2.1
300.06265	1.6
327.04935	2.8
341.06583	1.8
360.09558	0.5
375.08682	0.5
379.59146	0.4
387.08679	0.7
403.08279	0.5
416.09326	0.9
419.07825	1.0
421.09317	0.4
433.09549	0.4
445.09641	0.5
447.07269	1.7
462.09332	0.6
465.11826	3.8
477.11856	15.9
478.11868	0.7
495.12897	100.0
496.13217	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	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20428	7.2
51.75428	6.8
55.05505	11.9
67.05509	16.3
69.03419	35.2
69.07059	14.4
69.17005	6.6
69.64833	8.1
70.24197	23.8
71.05004	10.5
81.03425	18.5
81.07051	24.8
83.04974	7.8
83.08603	9.7
84.73926	6.9
85.02901	57.0
85.06534	9.6
87.00816	24.4
91.05493	18.4
93.07024	21.2
94.06593	7.5
95.08632	38.6
97.02897	29.7
98.21507	10.2
99.04447	14.0
102.60289	8.7
105.01885	20.6
105.07023	14.6
107.08592	30.2
109.02883	23.2
109.10147	27.1
111.08099	15.9
119.08588	35.5
121.10172	18.6
123.08040	7.4
123.11729	17.9
127.03950	57.4
133.10121	30.5
133.13785	7.5
135.11726	37.9
137.05943	14.8
137.09613	11.3
145.04988	21.8
149.09578	8.6
149.13217	12.8
175.14851	64.8
193.15892	83.7
211.16943	100.0
213.03989	8.5
229.17929	7.9
315.08597	19.4
331.08176	19.8
332.08472	51.7
409.18469	17.9
451.19580	18.6
495.18378	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01865	1.9
55.05508	4.3
57.03434	3.1
57.22168	0.9
59.04988	1.2
60.04531	6.6
67.05502	6.0
69.03432	8.8
69.07066	10.6
71.05001	5.3
72.08153	1.8
72.44034	0.9
73.02917	2.2
75.51964	0.9
79.05494	4.8
81.03420	7.2
81.07062	10.9
83.08608	4.1
85.02911	17.2
85.06541	2.0
87.00838	5.3
87.04463	1.3
88.78316	1.0
91.05478	3.2
93.07056	10.8
95.04979	2.0
95.08609	16.5
97.02892	8.4
97.06547	5.3
97.10172	1.5
98.97539	1.4
99.04451	5.0
102.15486	1.0
104.05032	1.3
105.01862	4.4
105.07071	4.6
106.06529	1.0
107.08593	10.7
108.04449	1.4
109.02890	5.2
109.06509	3.7
109.10169	26.1
111.08149	1.3
111.11706	2.4
115.03927	2.3
115.07556	4.5
119.08604	10.6
121.10140	9.0
123.04463	1.0
123.08062	3.3
123.11745	7.0
125.09614	1.3
127.03933	8.1
127.11181	3.3
132.04430	1.6
132.84389	1.1
133.10132	14.3
135.11703	18.5
137.09604	2.4
145.04968	3.8
145.10060	2.0
147.11684	3.5
149.13252	4.3
153.12772	2.8
159.02908	1.5
160.03972	5.4
165.12729	1.5
173.11884	1.2
175.14836	27.5
177.16414	16.8
193.15891	31.3
201.08943	1.0
211.16951	41.6
213.10271	1.4
218.08067	2.3
218.11777	1.2
241.09639	1.0
246.11275	100.0
247.11604	2.1
272.54681	1.1
285.12299	3.8
290.12836	1.1
303.13501	1.0
308.63098	1.1
314.27032	1.5
332.27905	7.3
333.14426	1.0
392.15530	1.4
402.14056	1.3
418.17633	1.3
420.15454	4.9
444.15445	1.4
462.16663	10.9
494.15747	2.0
494.24753	1.1
494.33139	3.7
495.17163	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	494.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30297	2.9
55.05508	6.5
59.04998	3.8
67.05502	8.9
69.03437	14.2
69.07080	17.2
69.37258	3.0
69.37587	30.8
71.04990	12.6
79.05484	10.8
81.03389	8.5
81.07060	26.1
83.04964	4.0
83.08626	11.7
85.02908	25.2
87.00830	9.2
91.05476	4.5
93.07057	20.0
95.08613	36.9
97.02901	14.8
97.06525	23.6
99.04461	11.6
105.01869	8.5
105.07043	15.0
107.08621	22.3
109.02882	7.5
109.06525	13.9
109.10170	29.1
111.11741	6.4
115.07561	19.2
119.08604	19.4
121.10159	9.0
123.08047	10.0
123.11718	15.2
127.03919	14.7
133.10129	37.9
135.11702	43.3
137.09673	7.1
145.04953	5.2
147.11671	6.7
149.13300	11.4
167.14320	4.8
171.65524	3.5
175.14853	64.3
177.16383	5.4
183.13802	4.1
186.11192	4.8
191.14468	4.3
193.12326	4.4
193.15891	85.8
205.88506	3.7
211.16937	100.0
316.05762	6.0
317.06146	6.1
331.08194	10.0
332.08371	20.4
495.18564	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	494.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25231	0.6
56.96540	0.7
70.08701	1.2
70.09090	1.1
72.08145	1.9
98.97588	1.0
102.01460	0.6
102.05556	0.9
106.19833	0.6
110.94318	0.6
115.53858	0.5
124.03729	0.9
127.01674	0.5
158.11754	0.9
161.01065	0.5
174.11263	5.6
196.09456	100.0
197.09836	0.7
214.09360	0.6
219.01846	1.0
232.10339	1.6
256.10294	2.4
270.11804	0.9
332.15576	2.6
416.41202	0.6
494.20959	3.9
517.36230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.3
55.05516	5.6
57.03457	1.8
59.05030	1.7
60.02969	1.5
62.00856	1.8
65.02383	1.8
67.05506	4.8
69.03429	5.8
69.07065	3.8
70.59834	3.4
70.60143	2.2
71.04996	4.1
74.46057	1.7
74.83975	1.6
76.83918	1.6
81.03431	4.8
81.07069	3.9
83.08643	3.0
85.02926	16.5
85.06554	6.8
87.00832	7.4
91.05498	1.9
93.07066	8.6
95.04961	7.7
95.08617	13.1
97.02902	7.3
97.06539	1.9
99.04479	6.5
99.08102	65.2
101.05998	3.4
105.01860	5.6
105.06947	1.8
107.08607	10.1
109.02889	7.2
109.10170	24.7
111.08045	2.8
117.01838	1.9
119.08595	4.5
121.10155	5.1
123.11671	5.0
125.09685	3.6
127.03959	10.3
133.10144	8.1
135.11745	15.8
137.09615	6.2
145.04950	5.0
147.07426	1.7
151.14853	1.9
153.12808	5.1
155.10664	12.3
159.02907	3.3
167.45496	2.0
175.14818	4.2
193.15897	35.8
194.75291	2.1
197.83846	1.9
211.16949	100.0
229.12054	3.2
231.05046	3.2
237.84273	1.9
243.98746	1.7
247.12933	1.7
451.19247	5.0
459.22351	34.1
495.18320	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.05503	2.1
57.03435	1.8
59.05004	0.7
60.13950	0.8
60.76997	0.7
61.02921	0.9
67.05479	2.7
69.03437	3.7
69.03754	0.9
69.07061	4.9
69.31215	7.3
70.06586	0.9
71.04996	6.2
76.43355	0.8
79.05484	2.0
81.03400	3.1
81.07050	4.7
83.04958	1.2
83.08588	1.4
84.95348	0.7
85.02904	7.0
85.06528	8.1
87.00810	1.7
91.05470	2.0
93.07044	8.9
95.04987	2.2
95.08602	7.7
97.02888	3.4
97.06497	1.6
98.97587	1.3
99.04440	2.9
99.08106	6.3
105.01849	1.7
105.07001	3.9
107.08595	12.1
108.08932	1.3
109.02862	1.6
109.10157	18.8
111.08104	1.3
113.05988	2.4
119.08576	6.7
121.06432	0.8
121.10128	3.9
123.11720	4.6
123.73556	0.7
124.03941	1.2
125.09599	1.0
127.03898	3.2
127.11177	1.4
133.10150	4.4
135.11699	24.0
137.09662	0.9
138.09157	0.9
139.11151	1.2
145.04936	1.2
147.11676	2.4
149.13261	8.0
151.07626	0.7
151.11159	1.1
151.14780	1.8
153.12747	15.5
159.02875	1.1
167.14363	4.0
175.14848	10.2
175.42276	0.8
177.05435	1.0
177.93680	0.7
193.15880	6.1
195.17480	0.8
200.38966	0.8
211.16933	100.0
212.17387	1.6
231.04889	0.9
246.17854	1.4
246.85988	0.8
311.09225	1.0
312.09430	1.5
426.97000	0.8
430.92404	0.8
451.19144	1.5
476.14175	1.5
494.15320	3.3
494.23700	0.8
495.18484	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.05513	6.7
57.07097	2.0
67.05516	10.7
69.07073	18.2
70.05661	9.9
77.36813	2.0
79.05494	7.9
81.03442	2.0
81.07063	17.6
83.04976	2.1
87.09230	2.0
91.05489	16.9
93.07061	18.8
93.71326	1.9
95.04966	4.5
95.08595	16.5
105.07047	25.7
107.04948	2.4
107.08593	11.3
109.06511	2.5
109.10188	11.1
117.07041	6.4
119.04919	4.9
119.08597	33.5
121.10158	7.9
123.11716	5.3
124.93813	2.6
128.06195	2.9
129.06995	5.1
131.08572	7.9
133.10132	7.6
135.11720	3.3
137.06003	3.0
137.13258	7.8
141.06908	3.0
143.08572	6.9
145.10155	19.6
147.08081	5.4
147.11755	3.6
149.05966	3.6
149.13287	3.2
151.03903	4.6
153.05557	2.2
157.10136	5.2
159.08017	3.3
159.11691	10.0
161.02370	5.2
161.05998	3.2
161.09636	2.7
167.03403	2.8
171.11705	7.1
173.09573	2.5
173.13338	5.2
175.07594	4.1
175.11153	3.5
177.09119	2.9
185.13358	4.6
187.11246	10.8
199.11191	2.6
199.14857	2.6
199.51059	2.0
201.16359	3.0
203.07051	100.0
203.17947	3.0
204.07407	6.1
211.07640	5.9
213.12679	3.0
217.12350	3.4
217.15767	3.7
219.17497	2.0
227.17947	7.2
229.08585	12.2
239.07069	2.9
242.05879	2.1
243.06653	5.2
243.10222	6.9
245.08189	4.9
248.27274	2.6
249.15314	2.0
250.98222	2.0
255.17477	13.1
257.08145	30.2
259.09680	12.0
267.10141	5.0
275.09042	2.4
290.18509	2.5
313.10678	3.5
365.13992	2.6
389.17456	4.0
431.87665	2.2
457.23865	8.2
459.25363	6.4
475.24634	7.9
475.53391	2.5
493.24994	12.0
493.32751	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	493.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05511	2.4
57.07070	1.4
67.05524	6.5
69.07075	7.1
69.57393	1.6
69.57791	4.8
71.07082	0.9
79.05482	4.2
81.07072	4.8
83.04985	1.6
91.04988	1.0
91.05495	12.3
93.07040	6.5
95.04985	1.1
95.08611	2.6
97.06541	1.8
103.05482	1.8
105.07041	16.2
107.08594	4.4
109.10164	13.7
111.08091	1.5
115.05405	1.2
117.07018	10.2
119.08589	69.2
120.08952	1.2
121.10124	4.4
123.04374	1.2
129.07016	4.6
130.07802	3.2
131.08560	6.6
133.10124	2.9
135.11687	1.7
142.07765	1.3
143.08568	3.2
144.09331	3.6
145.10133	28.1
145.11281	1.4
147.08026	1.7
147.11694	2.3
150.85944	1.0
151.03911	3.4
151.07559	2.9
154.95328	1.0
155.08560	3.2
157.10139	5.5
158.07349	1.2
159.08026	2.6
159.10443	1.6
159.11703	25.2
160.12180	1.3
161.02385	1.1
161.05937	4.2
161.09657	2.6
161.13387	1.3
163.03966	1.5
173.09537	1.6
175.03870	2.4
175.07564	1.1
175.11200	1.0
177.05460	1.4
179.07034	1.9
183.08035	1.7
185.05936	3.1
189.05521	1.6
195.08092	2.3
196.83289	1.1
197.09549	1.0
199.14839	1.3
201.09021	1.1
201.16423	11.7
203.07050	13.1
207.06529	4.0
211.07547	17.4
213.09137	4.6
215.07121	1.7
215.10545	1.2
217.15947	3.2
225.09225	2.3
226.09834	1.3
229.05064	1.4
229.08623	24.5
229.10861	1.5
239.07031	7.9
239.10692	1.4
241.08632	11.7
242.05757	2.6
243.06526	11.0
244.07321	6.4
245.08047	2.2
257.08102	61.6
258.08844	4.7
259.09683	100.0
260.09943	2.9
288.05545	1.1
295.16895	8.1
298.08194	1.1
306.95407	1.1
313.10706	7.9
349.14337	3.9
351.15784	1.2
375.15775	1.7
377.17554	18.6
403.19012	2.3
417.21027	2.1
419.98291	1.2
459.25360	31.4
459.31943	1.9
461.23502	1.6
475.24887	4.2
493.25595	3.7
493.32806	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	493.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.9
55.01880	2.3
55.05515	3.6
60.08887	1.5
60.70432	1.6
65.03949	1.8
67.05512	9.9
69.03403	2.0
69.07065	6.1
69.26336	1.6
71.58586	3.2
75.04520	1.4
79.05501	10.1
81.03423	3.1
81.07061	19.8
85.02921	1.9
85.53282	1.5
91.05491	24.5
93.07049	10.0
95.04976	4.9
95.08619	4.2
97.06514	3.7
105.07036	23.0
107.05009	2.4
107.08585	4.4
109.06506	4.0
109.10169	20.9
111.04398	1.6
115.05455	3.8
117.07025	15.1
119.05015	1.9
119.08589	88.6
121.06488	2.8
121.10149	5.1
123.08065	3.7
123.11703	1.8
125.05978	3.8
125.09681	1.7
128.06287	2.6
129.07045	6.3
130.07832	3.7
131.04939	4.1
131.08568	15.1
133.06454	3.7
133.10143	7.7
135.08072	2.7
135.11671	1.9
141.05458	3.4
141.06979	3.2
142.07805	1.8
143.08557	5.4
144.05704	2.5
144.09384	5.5
145.06540	2.8
145.10135	36.5
147.04445	2.5
147.08081	5.5
147.11722	2.3
149.02354	3.5
151.03906	3.3
151.07555	3.8
153.05513	2.7
153.06993	2.2
155.08589	5.7
157.06436	2.2
157.10136	6.7
158.07260	3.4
159.04466	2.0
159.08081	6.3
159.11702	36.5
160.05215	2.2
161.02348	5.7
161.05963	10.8
161.09659	3.7
163.03897	2.5
163.11143	2.0
165.05609	2.1
167.03458	1.7
169.04959	5.4
169.06349	2.0
169.10204	2.6
170.05750	1.8
170.07266	1.9
171.04478	3.0
171.08104	2.9
173.05994	2.2
173.09644	6.8
173.13310	2.5
175.03929	6.1
175.07561	15.5
175.11221	1.6
177.05501	4.6
177.09148	1.6
179.07057	3.9
179.08534	2.4
181.10065	1.8
183.08067	3.0
185.05968	7.2
187.03944	2.9
187.07559	3.4
189.05583	2.0
189.09132	2.2
191.10658	2.2
192.07813	2.7
195.08029	2.7
197.05836	1.6
198.06841	1.9
199.07469	2.5
199.11237	3.4
199.14764	2.3
201.05530	4.6
201.09155	6.0
201.16402	19.9
203.07047	78.5
204.07394	2.8
205.05025	3.2
205.08562	1.8
209.09637	2.3
211.07581	25.8
213.09134	7.0
213.12723	2.4
214.06273	4.4
215.06931	3.1
217.15903	1.9
219.10127	2.1
223.13231	2.4
225.09100	3.8
227.07039	2.8
227.10640	4.1
229.04959	4.3
229.08618	41.5
229.12344	1.9
231.13918	3.9
239.07050	10.5
239.10533	2.0
241.08514	12.3
241.12244	2.7
242.05748	4.5
243.06555	11.8
243.10147	19.3
244.07266	6.7
245.08101	2.2
255.10219	1.8
257.08124	61.8
257.12119	2.8
258.08841	4.9
259.09683	100.0
259.13132	5.5
267.10242	3.7
269.08087	1.7
273.14734	3.1
283.17044	1.9
285.11234	4.0
297.87408	1.4
299.13010	1.9
313.10727	2.0
317.13910	9.4
349.14352	3.7
351.15900	2.3
359.16403	2.6
377.17496	21.6
381.13354	5.2
401.17392	1.7
411.15500	1.8
416.01151	1.7
417.20404	1.9
429.16556	2.4
431.18567	3.3
433.20187	2.9
439.21680	1.6
443.18521	2.6
459.25366	28.9
461.19186	10.6
475.25500	3.0
493.25919	8.3
493.32867	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	493.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01874	2.0
55.05513	9.4
57.07060	1.1
65.03920	1.8
67.05508	15.3
69.03446	2.7
69.07076	50.2
69.07453	3.0
69.52449	8.9
71.04987	1.2
78.38801	1.2
79.05488	7.2
81.07057	17.0
83.04969	1.8
83.08582	1.5
85.06531	1.3
89.88129	1.2
91.05485	15.7
91.55575	1.0
93.07070	10.5
95.04962	3.8
95.08601	10.3
97.06512	1.2
105.03393	1.2
105.07038	25.2
107.04954	2.5
107.08607	9.1
109.06525	4.6
109.10168	18.5
111.08127	1.1
111.11737	3.1
113.52973	1.3
115.05469	3.0
117.07000	4.4
119.04953	2.5
119.07794	2.0
119.08591	26.4
121.06518	3.8
121.10161	8.6
123.04451	1.6
123.11696	3.1
124.33292	1.2
125.06001	1.6
128.06216	2.2
129.07005	3.5
131.04939	3.6
131.08592	8.3
133.06503	1.7
133.10143	9.4
135.08066	4.0
135.11679	4.2
137.09662	1.5
141.07005	2.7
142.07761	1.6
143.08612	3.2
145.06480	1.7
145.10133	8.8
147.08022	2.7
147.11696	5.0
149.02417	1.9
149.09624	1.7
149.13249	1.7
151.03912	1.9
151.07521	3.5
155.08586	9.2
157.06445	1.3
157.10132	4.8
158.07317	5.7
159.04356	2.5
159.08058	4.3
159.11703	7.4
161.02284	1.5
161.05966	8.8
161.09642	3.5
161.13254	2.1
163.03899	2.3
167.03360	2.8
169.04988	4.3
169.06361	1.2
171.11755	1.7
173.05978	2.2
173.09581	2.8
175.03925	8.3
175.07555	2.3
175.11214	1.3
177.05458	1.6
177.12865	2.0
183.08073	4.7
185.05998	1.9
185.09590	1.6
187.03897	5.1
189.05359	1.6
189.16396	3.7
191.03464	1.5
191.14365	1.4
199.14929	2.1
201.05522	1.8
201.09068	2.8
201.16444	3.1
203.03426	1.3
203.07004	17.5
203.18005	1.7
205.04990	2.4
211.05516	2.2
211.07547	45.1
213.05496	2.2
213.09099	3.0
214.06258	4.7
215.07053	1.9
217.04961	2.1
217.08606	1.3
217.15901	1.7
227.07059	2.3
229.05032	2.2
229.08620	51.0
229.10963	2.4
239.07071	19.1
241.08617	6.3
242.05724	7.7
243.04066	2.3
243.06552	41.0
243.10204	1.8
244.07294	3.0
245.08148	3.4
255.06546	4.4
255.10110	1.8
257.08102	100.0
258.08853	14.7
259.09686	43.7
267.10080	6.1
268.10541	1.8
269.08139	3.9
271.09631	3.5
285.11224	21.1
293.11798	1.8
297.11230	4.0
313.10724	1.5
319.84409	1.3
337.14468	2.2
365.13791	7.1
367.11761	6.4
375.15878	5.3
384.08295	1.4
457.23557	1.4
459.25299	11.6
475.24969	3.9
493.25748	39.3
493.32764	14.7
496.47333	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05510	4.8
56.96560	2.6
59.04987	6.1
65.03950	1.1
67.05505	14.0
69.07067	6.1
70.25230	2.5
70.25636	2.3
70.94044	1.3
71.04987	1.3
71.08643	1.2
72.08158	29.4
79.05497	5.4
81.03465	1.1
81.07067	7.7
91.05482	13.6
93.07049	7.0
95.04948	1.8
95.08617	3.8
96.59347	1.0
97.06528	1.2
103.05466	3.7
105.07034	26.9
107.08598	6.9
109.06532	2.2
109.10161	17.3
115.05447	2.0
117.07031	10.2
119.08586	36.2
120.08112	66.1
121.06470	1.5
121.10115	2.0
125.10607	1.1
128.06221	2.0
129.07022	4.2
130.07799	4.4
131.04933	1.7
131.08578	12.9
133.06517	1.3
133.10133	4.8
135.04433	2.5
135.08083	1.5
135.11658	1.2
137.05965	2.1
138.03140	1.1
142.07794	2.8
143.08574	6.2
144.09387	2.1
145.10130	72.0
146.10477	1.5
147.08047	1.5
147.11693	2.5
149.02303	1.4
149.09586	1.4
151.03906	2.6
151.07632	2.1
157.10155	7.7
159.08080	1.8
159.11691	31.3
161.06030	4.0
161.09557	1.2
163.03969	1.8
163.14711	1.4
165.06996	1.2
171.08026	1.7
171.11681	1.9
171.14926	3.8
173.13338	1.6
174.12823	1.6
175.03949	4.6
175.07550	5.1
177.05498	1.8
179.07100	1.7
185.05946	1.9
187.03929	2.4
189.05490	2.3
191.07066	2.4
192.07825	2.1
199.07613	1.5
199.14781	13.5
201.09085	2.0
201.16386	19.5
203.07047	12.1
205.04980	2.0
211.07581	9.4
214.06270	2.4
217.04977	16.3
217.08557	3.1
217.15939	3.6
219.06558	1.3
219.14972	11.0
227.07072	3.9
228.86063	1.0
229.08592	15.7
233.08060	2.2
239.07091	3.6
241.08681	1.8
243.06615	2.4
245.08118	19.0
247.14450	11.9
255.06467	5.6
257.08112	39.6
258.08591	1.2
259.07071	1.3
259.09583	7.7
260.06830	2.5
265.08420	1.3
267.06784	1.7
267.14886	5.9
273.07623	29.5
273.19598	1.5
275.09146	100.0
285.07501	1.0
295.14429	8.5
301.19064	2.6
301.56479	1.1
313.10635	1.4
327.08606	2.2
341.10159	1.5
343.11426	1.0
346.21176	5.1
349.19235	2.1
365.13708	2.8
367.15329	1.6
373.14401	1.8
375.15942	3.3
393.17099	4.3
457.23810	12.6
461.15952	6.3
475.13824	1.6
475.24994	26.1
493.26682	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	493.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.7
67.05496	4.1
69.03420	2.2
69.07069	3.0
73.06550	3.1
79.05476	3.6
81.03394	5.5
81.07059	4.6
91.05495	9.3
93.07035	3.1
95.04980	3.0
99.04446	2.4
99.08117	2.3
105.07026	8.3
107.04960	4.5
107.08553	2.0
109.06557	4.2
109.10093	1.7
117.07023	4.2
119.08581	5.0
121.06502	16.2
129.07063	3.3
131.04924	2.7
131.08585	5.7
133.06505	3.5
135.04376	3.4
135.08110	2.1
136.05235	2.7
137.06052	1.9
139.07556	2.1
141.06993	2.6
143.08614	1.9
145.06528	4.1
147.04446	8.4
147.08043	4.8
148.05190	5.0
149.02287	2.0
149.05986	6.4
151.07550	15.8
153.05411	2.6
155.08583	2.7
157.06490	4.8
158.07283	2.5
159.04489	1.9
159.08037	6.6
159.11681	2.2
161.02350	6.0
161.06001	11.3
161.09616	2.3
162.06755	3.5
163.03937	2.3
163.07565	6.7
164.04665	4.4
167.07097	9.0
169.06416	2.0
171.08073	3.2
171.11720	2.2
173.06035	2.3
173.09677	4.1
175.03893	4.5
175.07567	3.2
176.04681	4.1
177.05472	17.2
177.12698	1.8
179.07068	20.0
181.04900	2.0
181.08618	2.4
181.10181	3.1
183.08087	2.6
185.05986	4.9
185.09706	2.2
187.03815	2.9
187.07533	3.6
189.09093	4.1
189.12698	2.0
191.07045	57.2
191.10666	6.3
192.07823	100.0
199.07579	2.9
199.11206	3.8
201.09207	10.7
203.07047	73.6
207.06514	11.5
209.08083	9.9
211.07576	5.3
213.09096	6.9
215.10674	3.8
217.12230	24.1
219.10210	2.6
227.07079	3.4
227.10716	10.7
229.08598	17.0
231.13878	11.7
239.06995	2.2
241.08553	3.3
243.10213	13.4
257.08020	6.4
259.10135	2.3
259.10648	2.8
259.13297	19.7
267.10223	3.9
269.08124	4.0
291.16040	2.3
293.08234	2.9
321.11319	4.5
323.12790	4.0
333.11099	2.3
337.10767	2.7
339.15970	3.3
347.09201	2.7
349.10715	6.3
367.15430	35.8
381.13367	3.7
411.14383	50.9
419.18497	8.7
429.17252	8.0
433.19824	3.6
461.19754	15.6
493.22311	7.4
493.32825	3.3
518.15912	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	493.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01884	2.3
55.05507	2.8
59.04990	1.2
65.03951	1.4
67.05504	5.0
69.03437	2.5
69.07070	3.6
69.64252	5.5
71.04987	1.8
75.04472	2.0
79.05502	10.5
81.03415	3.7
81.07064	20.4
83.04987	2.1
85.02907	1.5
91.05489	11.0
93.07044	5.0
95.04963	4.2
95.08614	2.6
99.04489	2.3
103.05492	2.1
105.07023	10.1
107.04948	2.3
107.08587	3.7
108.05728	1.4
109.02885	1.6
109.06534	4.1
109.10179	1.9
111.04474	2.0
115.05473	3.2
116.06216	1.4
116.13428	1.0
117.07045	4.0
118.51154	1.0
119.04936	2.1
119.08601	11.1
121.06512	6.8
121.10143	1.8
123.04455	1.8
123.08048	3.7
125.05995	5.0
128.06255	2.5
129.03297	1.1
129.07010	4.1
131.04945	1.4
131.08589	9.5
133.06480	4.0
133.10184	2.1
135.04401	2.6
135.08067	2.9
135.11757	1.9
137.05966	2.0
137.09615	2.9
139.07503	1.3
141.05496	3.9
141.07007	4.0
143.04941	2.3
143.08589	2.7
144.05757	1.6
145.06494	4.5
145.10130	5.2
146.30074	1.1
147.04431	3.0
147.08043	6.9
147.11647	1.3
149.02368	3.1
149.05991	3.0
149.09618	1.3
151.03865	1.6
151.07570	5.2
153.05478	5.8
155.08603	1.6
157.06462	2.9
157.10133	2.3
158.07294	3.7
159.04425	1.8
159.08141	6.2
159.11781	1.6
160.05231	2.6
161.02339	7.6
161.06017	8.6
161.09663	2.5
163.03934	3.0
163.07513	1.7
163.11195	2.5
165.07014	2.3
166.07759	1.9
167.03377	3.5
167.07069	2.0
167.08505	1.3
169.04994	5.4
169.06422	1.4
169.10089	2.5
170.05728	1.4
171.04457	2.5
171.08057	2.7
171.11710	1.9
173.05887	2.5
173.09639	5.5
175.03967	1.9
175.07562	19.7
177.05505	4.0
179.07051	5.9
179.08446	1.8
181.10110	2.4
183.08081	3.4
185.06027	5.0
185.09598	1.2
187.03908	3.9
187.07545	2.1
189.05453	4.0
189.09116	3.8
189.16440	1.4
191.07074	4.7
191.10670	3.8
192.07829	4.5
193.08720	1.8
195.08051	1.5
197.09663	3.2
199.07574	2.1
199.11183	5.2
199.14948	1.9
201.05548	5.3
201.09084	8.4
202.09814	1.2
203.07042	100.0
204.07552	1.5
205.05017	1.9
209.09598	2.4
211.07523	6.2
212.08510	1.4
213.05330	1.4
213.09148	3.7
213.12875	1.2
215.07071	1.4
215.10675	3.3
219.10223	2.8
223.13312	1.5
225.09186	3.4
227.07036	4.7
227.10712	5.5
228.07707	1.4
229.04987	2.8
229.08617	20.9
231.10129	1.4
231.13777	5.1
235.07446	1.2
235.09677	3.8
239.07091	1.6
239.10789	2.9
241.08556	3.6
241.12230	4.9
243.06447	3.1
243.10193	22.7
251.12860	1.7
253.08534	3.3
257.08023	10.0
257.11771	3.3
259.09714	9.5
259.13211	8.6
261.07483	1.5
267.10190	2.9
269.08170	3.1
273.14935	4.2
281.08319	1.1
285.11273	4.3
297.11313	1.9
299.12637	2.3
317.13898	16.2
337.14261	1.8
363.12253	1.9
381.13339	9.7
393.13467	3.1
401.17432	1.7
411.14539	2.7
413.15933	3.2
429.16959	3.1
431.18710	4.1
433.20132	3.1
443.18640	4.5
457.23569	2.0
459.24963	1.4
461.19693	14.8
475.25119	3.4
493.22028	5.9
493.25830	6.6
493.32980	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05500	1.7
59.00099	0.7
60.83591	0.9
63.89522	0.7
67.05490	1.6
69.07050	2.7
69.78174	2.6
69.78590	1.0
79.05483	2.5
81.03432	3.7
81.07071	3.6
83.04973	2.0
85.02893	1.5
85.06586	0.7
91.05479	12.3
93.07057	3.9
94.82835	0.7
95.01333	2.3
95.04971	3.9
95.08611	1.1
99.10463	0.7
101.05984	1.3
105.07022	8.3
107.04941	1.5
107.08590	2.4
108.05739	2.5
109.06525	2.8
109.10141	2.4
111.04415	2.8
115.05449	4.8
116.06218	1.7
117.07013	3.4
119.04941	0.7
119.08583	6.5
121.06494	5.1
121.10159	2.0
123.08051	4.1
125.05960	3.1
128.06216	1.6
129.03343	2.5
129.07037	5.0
131.04884	1.1
131.08572	11.3
132.05765	1.3
133.02878	1.5
133.06494	3.0
133.10063	1.3
135.04404	2.4
135.08049	2.4
137.05974	1.6
141.05440	1.6
141.06950	2.2
143.04909	3.0
143.07019	1.1
143.08571	2.1
144.05699	1.4
145.06436	3.5
145.10143	1.8
147.04425	2.2
147.08057	9.8
147.11688	1.3
149.02361	3.0
149.05925	0.9
149.09555	1.4
151.03893	1.8
153.05458	2.1
153.06943	0.8
155.06999	2.5
155.08574	2.1
157.06471	1.7
157.10136	1.8
158.03633	1.0
158.07303	1.1
159.08040	5.0
159.11723	1.7
160.05190	5.0
161.02373	7.8
161.05992	11.3
161.09634	0.9
163.03886	1.9
163.11163	2.6
165.06976	1.6
166.07764	0.7
167.03348	1.0
167.07054	3.3
167.08427	0.9
169.06384	0.7
169.10123	1.3
171.04401	7.1
171.08041	0.8
173.06053	1.8
173.09590	1.1
175.03963	2.3
175.07559	43.0
177.05595	0.8
179.08540	3.1
181.06508	0.9
183.08043	2.3
185.05937	6.2
186.03111	1.6
187.03815	1.4
187.07550	2.1
188.04614	0.8
189.09132	1.6
191.10728	3.8
193.08493	0.8
196.08812	1.3
197.09579	2.6
199.07567	1.8
199.14735	1.1
201.05467	12.9
201.09166	2.1
203.07039	100.0
207.08017	1.9
211.07648	3.6
211.11192	1.3
213.09061	1.9
215.06903	0.9
215.10719	1.4
217.08527	1.6
223.13271	4.3
225.09152	3.9
227.07098	1.6
229.04977	9.3
229.08617	2.3
229.12256	1.5
235.07524	1.4
235.09653	7.6
239.07060	1.1
239.10591	3.9
242.09232	1.1
242.21234	0.8
243.10146	2.2
249.08946	0.8
252.07822	1.2
253.08553	2.2
257.08096	3.4
257.11722	7.1
259.09631	3.5
259.13000	0.7
261.07584	2.7
267.10217	6.0
271.05890	0.9
273.14911	5.4
279.08569	4.1
281.08096	1.8
285.11218	14.7
289.14474	1.6
291.15775	1.2
295.10010	1.0
299.12766	2.8
301.12262	0.7
305.11441	0.8
317.13861	31.6
318.14307	0.9
337.14264	2.4
374.93051	0.9
387.11975	1.6
413.19458	0.9
437.16019	1.3
443.18533	1.1
449.27524	1.3
457.24182	1.1
461.19754	0.9
475.24634	2.6
493.21786	2.6
493.25403	2.8
493.31842	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	493.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66013	0.2
53.03924	0.4
55.01847	0.6
55.07753	0.2
65.03912	0.3
66.25182	0.2
67.05470	0.8
69.07028	0.5
70.20754	1.0
77.03893	0.3
78.04714	0.3
79.05499	1.5
79.41634	0.3
81.03390	0.6
81.07027	0.9
83.08592	0.3
89.03881	0.3
91.05475	2.0
93.07053	1.3
95.00721	0.2
95.01294	1.0
95.04935	0.6
95.08617	0.5
97.10194	0.3
102.04661	0.7
103.05470	3.5
105.04522	0.2
105.06390	0.3
105.07031	4.4
107.04947	1.4
107.08548	0.3
108.02071	0.4
109.06487	0.2
109.10142	0.5
115.05421	0.4
117.03353	0.4
117.06990	0.3
118.04160	3.3
119.01261	0.2
119.04887	0.6
119.08568	0.3
121.06517	2.7
121.10153	0.3
123.00789	3.9
123.04445	0.6
128.06210	1.5
129.06924	0.3
130.04172	1.9
131.04932	3.6
132.05727	1.2
133.02812	0.6
133.06485	3.9
133.10072	0.3
135.04417	1.6
137.02287	0.3
137.05949	0.3
139.05356	0.2
140.04631	0.4
140.06166	0.2
141.06955	0.5
143.08600	0.3
145.02785	0.3
145.06462	0.5
146.03616	0.7
147.00806	0.3
147.04333	0.7
148.05200	1.3
149.02330	0.8
149.05988	1.6
152.01074	2.4
152.06195	0.5
153.01811	0.3
153.06908	0.3
154.07735	0.3
155.04922	0.3
156.05661	0.9
159.04454	0.4
160.05112	0.4
161.05989	4.2
163.11153	0.3
165.01784	0.3
165.06960	0.3
165.09073	0.8
167.07057	1.3
168.05716	1.4
169.06519	0.5
170.02043	0.7
171.08070	9.8
173.06015	0.4
176.04697	3.0
177.05501	2.1
178.06171	0.3
179.07039	0.6
181.06476	1.0
181.12259	0.3
183.08060	1.8
184.05197	2.4
186.06699	0.2
191.07059	4.2
192.07779	1.0
193.08611	1.5
195.04402	0.5
196.05202	0.6
197.06003	0.7
199.07487	0.8
207.06628	0.3
209.06006	4.3
209.07951	0.3
211.07570	1.5
212.04654	1.2
213.05498	0.4
214.06248	0.3
223.03903	0.9
224.04794	0.3
225.05443	0.6
227.07040	0.7
229.08627	2.4
239.03391	0.7
239.07103	1.0
240.04120	1.6
240.07806	3.1
241.04929	0.7
242.05742	0.5
253.04909	0.7
255.06529	100.0
256.07108	2.2
268.07376	0.6
269.04474	1.2
269.08170	0.6
270.05188	0.6
271.06067	0.4
281.08136	0.9
283.06027	43.5
284.06784	10.6
285.07590	22.6
286.07977	0.5
295.06192	0.6
297.07571	0.3
313.07178	0.4
339.13242	0.3
463.13824	4.3
475.13937	39.8
476.14459	1.1
493.15002	45.1
494.15417	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.7
69.99303	3.8
69.99594	0.9
76.01237	0.6
79.05489	0.9
91.05495	3.8
95.04899	0.8
102.04649	1.4
103.05462	4.7
105.07031	3.8
105.50911	0.7
107.04931	1.5
115.05442	1.6
118.04167	3.6
119.04932	1.7
121.06488	2.3
123.00784	3.2
123.04442	0.8
123.23075	0.7
128.06204	2.3
130.04152	2.1
131.04962	4.2
132.05707	1.5
133.06493	5.2
135.04399	2.7
137.05956	1.7
139.05360	0.7
141.06947	0.9
143.04828	0.8
146.03578	2.3
147.04384	3.2
148.05263	1.0
149.05978	2.4
152.01048	2.9
153.01889	5.3
153.06990	0.8
158.07269	3.4
161.06009	6.3
163.07469	1.4
168.05681	1.6
169.06514	2.1
171.04340	1.1
171.08058	9.7
173.05992	1.0
174.15646	0.7
176.04669	2.5
177.05475	2.2
182.01994	0.8
183.04439	1.5
183.08026	2.1
184.05157	1.7
185.06027	1.3
186.06717	2.9
191.07094	5.1
192.07947	0.7
193.08633	1.0
196.05144	1.7
197.05974	1.1
199.07608	0.8
201.09103	6.7
209.05975	3.6
211.07587	1.1
212.04639	1.8
213.05453	1.2
214.06238	9.6
225.05443	3.2
227.07161	0.8
229.08569	3.1
237.32930	0.7
239.06932	1.6
240.04167	2.0
240.07777	3.4
242.05771	3.8
253.05031	1.4
255.06528	100.0
256.07022	2.7
257.08078	8.4
259.09686	0.9
268.07373	3.4
269.04611	0.9
269.08099	2.1
270.05209	3.2
283.06018	41.8
284.06805	9.2
285.07590	75.6
286.07721	0.8
296.06760	1.7
297.07645	3.0
300.06232	3.2
311.09134	1.6
313.07053	59.8
314.07709	3.2
315.08694	9.7
460.11209	0.9
463.13965	10.4
463.20160	1.2
475.13907	69.4
476.14160	1.2
493.14954	93.5
494.15234	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	493.1346
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
55.65187	0.7
67.05489	0.8
69.03436	2.2
69.07081	1.2
70.70238	0.8
70.70573	1.6
79.05516	1.0
81.03413	0.9
81.07051	0.8
85.02921	2.7
87.00816	1.0
91.05473	1.6
93.07035	1.2
95.04940	1.1
96.68304	0.7
97.02888	1.3
104.64220	0.7
105.07048	1.3
107.08609	1.3
109.02920	0.8
109.06500	0.9
109.10156	1.5
110.09727	0.7
119.08547	1.0
120.08164	0.8
121.10146	1.1
125.02208	0.7
127.03925	1.4
133.10143	0.9
134.10463	1.2
138.09178	1.3
145.10042	0.8
147.11696	1.7
149.02357	0.9
150.03157	3.0
152.01064	2.1
153.01828	1.8
161.02362	1.2
164.04686	2.6
167.03419	5.9
190.04944	0.9
192.14763	1.5
200.04652	0.7
200.32755	1.0
209.15417	1.8
210.15683	2.4
217.05009	0.7
227.03241	0.8
227.16414	1.0
228.04277	3.9
228.16994	0.8
239.03421	1.1
242.05754	3.0
243.06612	2.1
245.04485	1.1
255.02991	1.1
256.03638	2.4
269.18451	0.8
270.05252	5.2
271.05856	3.6
275.09143	0.9
284.03122	2.0
285.07568	2.2
298.04724	3.2
299.05679	2.3
313.07059	2.4
316.05783	20.7
331.08118	100.0
332.08499	2.1
338.76846	0.9
339.76599	0.8
452.00543	0.8
472.76111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1343
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
67.05502	0.4
69.59258	1.8
70.35986	0.4
81.07059	0.8
85.02893	0.9
93.07032	0.4
105.76804	0.3
107.08609	0.5
109.10157	0.5
119.08508	0.3
120.68096	0.3
121.02902	0.5
131.04953	0.6
137.05974	0.5
148.05173	0.5
151.07564	0.4
163.07634	0.4
166.08531	0.4
168.00517	1.6
169.01137	0.4
175.03952	0.4
178.09949	1.0
181.08627	1.2
182.08902	0.6
183.02866	0.5
184.28923	0.4
185.00771	0.5
186.01611	0.7
194.02159	0.6
194.09349	0.5
195.09654	0.9
209.11772	5.5
210.12076	6.1
215.57068	0.4
238.10298	0.4
245.04436	6.6
246.11322	1.1
255.02965	0.5
256.03644	0.9
259.06027	0.4
269.45255	0.4
270.05270	1.0
271.06134	0.8
273.03964	11.0
284.03207	0.9
287.05609	1.0
288.06210	0.4
298.04852	2.1
299.05511	0.7
301.03442	12.7
315.04984	4.0
316.05789	38.7
317.06146	0.7
331.08130	100.0
332.08484	2.6
407.21210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1344
Annotation	Quercetin 3,7-dimethyl ether 4'-glucoside
Peak:m/z	Relative Intensity
55.05497	0.7
56.56676	0.7
57.03430	1.0
67.05489	1.1
69.03426	2.0
70.06581	1.5
71.04980	0.8
71.58340	0.9
72.08138	1.3
74.91935	0.5
79.05488	1.0
81.03412	1.1
81.07053	1.5
83.04953	0.7
84.08128	1.2
85.02907	3.5
85.06554	1.1
91.05476	1.1
93.07016	1.2
95.04960	1.6
96.08115	0.9
97.02891	1.5
97.06535	0.6
98.97580	2.3
99.04436	0.9
105.01875	0.7
105.07001	1.0
107.08564	0.9
108.08147	0.6
109.02888	0.9
110.07231	0.7
110.09724	0.7
113.06026	0.8
116.98648	0.6
119.08598	1.0
120.08115	1.9
121.02869	0.7
121.06615	0.6
121.10131	1.8
127.03955	1.1
131.08577	1.0
133.10187	0.8
136.07584	0.9
137.02347	0.9
137.05945	1.1
138.09128	2.0
143.00159	0.6
145.02838	0.6
149.02403	1.2
150.03186	0.7
151.03926	0.7
152.01044	2.6
153.01823	1.9
155.04979	0.5
161.02382	3.6
164.04732	1.6
166.08672	2.6
167.03412	7.4
167.07042	0.8
170.02176	0.7
173.13332	0.7
174.09222	0.6
175.03888	0.8
177.05540	0.9
183.04460	0.7
189.00673	0.6
190.05020	1.2
191.03343	1.5
192.14622	0.8
199.04106	0.7
200.04691	1.4
203.03468	0.6
204.12302	2.3
205.04939	0.6
209.15370	0.5
211.04008	1.7
217.05074	0.8
219.06503	1.4
225.94044	0.5
228.04208	5.5
238.02678	0.7
239.03413	2.5
242.05858	1.0
243.06627	3.8
245.04420	1.0
246.13416	0.7
256.03677	2.0
270.05261	0.8
271.06042	6.2
275.09045	0.6
283.02432	0.7
284.03220	7.8
285.07672	1.2
298.04742	2.1
299.05493	7.6
313.06876	1.0
316.05820	11.1
331.08145	100.0
332.08377	2.5
341.11652	0.6
391.08258	0.6
449.10791	0.6
475.09949	0.7
493.17233	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	493.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29944	0.8
62.41386	0.9
69.03437	1.0
71.19266	2.2
71.23462	0.8
73.80462	0.8
79.05480	1.5
81.03410	1.4
81.07034	1.7
89.03915	2.5
91.05495	1.1
93.07059	0.9
95.08636	1.9
97.06551	1.0
105.03432	1.1
105.07011	1.0
107.08624	1.1
109.10120	1.2
117.03393	4.1
119.08587	1.3
120.95001	0.9
121.06464	1.3
123.00805	2.0
133.02867	3.8
134.03662	5.0
135.04440	3.8
136.05232	1.5
137.02367	2.7
137.06064	2.2
145.02859	4.3
145.06392	1.0
149.02383	1.3
149.06055	1.4
150.06836	1.5
152.01085	1.7
153.01863	1.3
153.05486	1.6
155.04926	6.8
163.03958	2.3
164.04694	1.3
171.04413	1.0
172.05157	1.5
175.03906	1.5
177.01863	2.5
177.05479	2.4
183.04414	6.8
187.07700	2.0
196.05244	1.2
197.06015	2.0
200.04655	2.6
201.05453	1.0
211.03929	5.5
213.05493	3.3
214.06270	1.1
223.03923	1.3
224.04640	1.5
225.05531	6.5
228.04218	3.0
239.03430	7.7
240.04135	1.3
241.04971	3.5
242.05794	1.2
251.03563	1.0
253.05006	3.5
255.03044	1.4
255.06775	0.9
256.03729	11.9
256.07370	5.6
267.02948	1.0
269.04440	2.5
270.05240	7.3
271.06036	96.9
272.06412	1.3
283.06003	1.5
284.06757	3.1
285.07602	39.2
286.04767	3.5
286.07718	1.0
299.05533	46.4
300.06125	5.2
301.07126	12.8
311.05466	3.1
329.10220	1.7
331.10977	1.2
333.07712	1.0
375.08545	1.0
387.08502	0.9
403.08008	1.2
449.12341	34.2
460.07898	3.6
475.10175	13.9
493.11261	100.0
494.11722	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15406	1.8
53.03944	3.8
55.01880	4.7
55.05507	6.8
56.82078	2.3
57.03432	7.0
57.47289	2.0
59.52433	1.9
61.02916	2.6
67.05504	3.8
69.03431	16.0
69.07069	5.9
71.04988	7.3
73.02908	2.6
79.05499	6.3
80.96101	2.1
81.03413	10.8
81.07049	14.2
83.04996	3.3
83.08629	8.5
83.43406	2.0
85.02910	35.1
85.06547	3.4
87.00832	16.4
91.05479	6.8
93.07064	13.9
94.06540	2.7
95.04978	17.6
95.08614	10.6
96.08099	2.7
97.02897	11.2
97.06542	23.6
99.04461	9.0
102.76447	2.3
105.01882	16.1
105.07047	15.9
107.08600	20.2
107.09239	3.8
109.02877	9.5
109.06514	24.9
109.10170	10.8
110.09724	2.8
111.08049	3.8
119.08576	11.3
120.78686	2.1
121.10130	20.2
123.08096	8.3
123.11669	4.2
125.09618	5.3
127.03929	22.9
131.08578	4.9
133.10126	33.3
135.08055	7.1
135.11705	5.9
137.80724	2.3
145.04959	6.0
145.10121	4.2
147.11696	31.2
149.09685	3.4
149.13229	8.3
151.11189	24.8
153.09116	13.6
153.10143	2.5
159.02852	3.0
163.14775	6.5
165.12762	16.4
173.13281	18.8
179.14398	2.4
185.11806	2.8
191.14308	35.8
194.11934	2.8
203.08374	2.9
209.15378	100.0
209.17358	5.2
227.16422	83.3
231.04980	4.0
271.06232	2.4
276.23410	2.9
312.25436	4.8
316.05734	2.4
327.09775	2.7
330.06677	6.5
330.10529	2.8
331.08142	14.6
339.09961	2.3
457.20538	3.2
458.71744	2.2
460.20941	2.7
492.11813	2.6
492.30667	6.3
506.81277	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15741	4.9
53.03930	8.1
53.53197	4.7
55.01852	7.2
55.05496	6.8
57.07086	5.3
67.05511	11.0
69.03440	25.7
69.07051	8.5
70.09804	4.5
70.88168	15.1
71.04981	11.5
71.68209	4.2
73.02920	5.6
73.10080	5.1
79.05482	19.7
81.03407	18.4
81.07062	52.7
83.04964	18.3
83.08603	14.2
85.02914	63.4
87.00845	30.1
91.05475	9.7
93.07034	16.8
95.04984	54.1
95.08604	17.9
97.02888	21.2
97.06505	14.9
99.04450	15.7
105.01858	22.4
105.07040	31.3
107.08591	34.5
109.02866	19.6
109.06519	100.0
109.10139	31.3
111.52868	6.0
117.07002	5.8
119.08573	23.3
121.06504	9.2
121.10177	33.1
123.08109	6.7
123.11691	17.6
127.03926	47.3
131.08577	12.5
133.10146	97.9
135.08031	13.2
135.11691	16.2
139.11177	17.0
143.08533	5.7
145.04950	17.2
145.10100	13.4
147.11690	30.5
149.13275	27.5
151.11160	14.1
153.09103	26.4
158.10847	9.4
159.02975	11.9
163.11214	5.6
165.12686	7.7
167.10670	6.4
171.84996	5.3
173.13269	59.0
191.14314	97.1
192.14584	5.4
209.15367	63.8
227.16476	30.8
231.05038	5.8
492.29364	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09610	0.5
53.66312	0.5
54.41505	0.4
59.04995	0.5
69.92118	1.9
79.05482	0.6
81.03418	0.5
81.07067	0.7
81.50751	0.4
85.02920	1.0
91.05469	1.7
93.07059	0.8
95.04948	0.5
96.95611	0.5
105.07058	1.0
106.82744	0.4
107.04969	1.2
107.08562	1.0
109.02760	0.5
109.06532	1.0
115.05447	0.5
117.07053	0.8
119.04984	0.5
119.08544	0.7
121.06554	2.7
121.10136	0.6
123.08080	0.9
131.04956	0.6
133.02911	0.8
133.06474	0.7
133.10150	0.9
135.08067	2.0
136.05220	0.8
137.05951	0.6
145.06497	0.5
146.07277	0.7
147.04430	2.0
147.08046	2.3
148.05190	0.6
149.05998	1.2
149.09671	0.8
151.03934	0.6
151.07571	3.5
153.05467	3.1
154.06154	0.7
161.06073	0.5
162.06781	3.6
163.07535	4.0
164.08347	0.6
165.05513	2.3
166.06273	4.0
168.07869	6.5
173.13268	0.5
176.55838	0.4
177.09074	3.0
178.09921	11.7
179.07085	5.0
179.14351	1.4
181.08612	16.9
181.10211	0.9
194.09393	12.7
209.11748	100.0
210.12076	2.2
237.11086	0.4
316.05859	1.8
330.06897	0.7
331.08075	4.0
360.65781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
53.06392	1.2
54.71358	1.0
55.05509	2.6
57.07076	2.3
58.99580	2.3
67.05507	2.2
69.03436	37.2
69.07049	3.0
70.89597	3.0
71.05002	1.9
72.08150	1.4
76.02220	3.6
79.05482	3.0
81.03382	1.4
81.07042	3.8
83.04980	3.2
85.02911	9.7
85.06548	1.9
86.99044	1.4
88.03982	1.4
91.05480	3.5
93.07082	5.3
95.08621	7.9
97.02905	3.4
97.06532	3.8
98.93153	1.1
104.76345	1.5
105.00121	1.7
105.07004	4.3
107.08606	12.8
109.06501	4.9
109.10126	2.7
111.08069	3.1
119.08591	3.7
121.06474	1.5
121.10172	13.7
122.02740	22.7
123.08089	1.9
123.11694	6.8
125.08775	1.2
125.09646	17.9
127.03905	1.8
131.04932	3.3
131.08592	8.1
133.10109	5.0
135.08080	10.5
135.11691	5.4
140.07159	1.2
145.10147	2.2
147.11682	3.4
149.09676	8.4
149.13263	4.3
151.11162	1.4
153.09131	8.6
158.10884	2.1
163.11211	1.4
163.14838	4.8
165.12721	2.9
167.05276	1.3
167.10725	1.4
173.13289	21.1
182.16620	1.1
191.14322	62.9
192.14624	1.4
205.04665	1.9
209.15382	100.0
223.11624	6.1
241.12589	5.3
330.17279	6.5
474.21075	1.4
492.22046	2.1
493.16635	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	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05446	2.4
53.03935	3.2
55.01872	3.8
55.05505	4.2
57.03445	5.1
57.07056	2.2
59.05037	2.4
67.05515	4.6
69.03437	17.2
69.07078	5.2
70.19175	5.2
71.04995	4.6
79.05487	4.4
81.03416	10.9
81.07056	10.9
83.08603	5.5
85.02912	44.3
85.06551	3.9
87.00829	17.8
91.05476	7.4
93.07057	10.9
95.04967	8.9
95.08612	9.0
97.02906	12.5
97.06532	24.0
98.20710	2.1
99.04462	10.6
99.08105	4.0
105.01856	19.0
105.07050	16.1
107.08595	19.2
109.02889	6.9
109.06524	39.1
109.10123	12.8
115.07579	11.0
119.08598	10.2
121.10136	21.9
123.08084	7.3
123.11679	4.2
127.03900	22.3
131.08577	11.5
133.10138	54.1
133.55170	2.2
134.31154	2.2
135.08066	7.5
135.11696	3.0
139.11256	3.5
145.04976	9.7
145.10185	5.4
147.11681	30.9
147.38374	2.2
149.13249	5.4
151.11160	5.6
153.09088	18.6
159.02953	5.5
163.14835	7.1
165.12761	7.9
173.13252	26.0
181.30852	2.2
189.19228	2.6
191.14317	50.7
209.15378	100.0
227.16429	90.1
231.05055	4.9
237.10402	2.1
239.03362	4.3
240.03593	4.8
255.25256	2.4
268.63910	2.4
271.06079	6.5
272.06482	5.1
274.08850	2.1
294.24017	2.8
299.05502	19.4
300.05814	32.4
314.07889	9.3
315.08160	19.7
329.06644	4.3
329.10223	40.1
330.07111	6.3
330.10538	98.2
367.80646	3.5
492.31470	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	491.301
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03949	9.2
55.01881	10.7
55.05516	36.4
56.96564	3.7
57.03432	7.1
57.51539	2.2
59.05005	3.4
63.28327	2.2
67.05514	50.4
68.18233	2.2
69.03444	9.6
69.07082	23.1
69.24743	22.1
71.04995	19.0
72.76223	2.0
77.03951	2.0
79.05499	62.9
79.66420	2.5
81.03427	15.6
81.07063	56.8
81.07516	4.2
83.04988	8.5
83.08630	16.0
85.02929	6.2
85.06561	6.8
91.05489	46.2
93.07057	61.2
95.04980	27.8
95.08624	30.9
97.02929	3.9
97.05997	2.8
97.06521	11.8
97.10192	24.1
98.04901	2.2
99.04488	3.7
103.05489	4.2
105.04520	3.5
105.07038	29.6
107.04968	46.8
107.08598	28.9
109.02927	3.9
109.06525	19.9
109.10163	19.8
111.08092	5.1
115.05492	4.5
116.78332	2.6
117.07050	17.6
119.08596	20.3
121.06525	42.4
121.10156	24.8
123.04508	4.4
123.08099	7.2
123.11728	5.2
125.09642	19.3
128.06270	2.5
129.07030	10.7
131.04948	6.1
131.08574	28.9
133.06517	9.4
133.10132	12.4
135.08116	14.1
135.11681	5.6
137.02361	2.9
137.06052	6.0
137.09656	4.8
139.11238	3.6
141.07007	6.3
142.07835	2.3
143.08611	9.1
145.06485	17.8
145.10118	16.2
147.04454	3.8
147.08084	9.6
147.11710	6.9
149.06000	3.4
149.09627	12.3
149.13359	3.2
151.03969	3.6
151.07654	4.1
153.09146	4.2
155.05000	3.8
155.08588	8.8
156.72398	2.6
157.06534	5.1
157.10143	6.4
159.08102	9.0
159.11761	8.2
161.06065	4.1
161.09665	5.6
163.11241	6.1
165.09132	12.1
167.08533	2.9
167.10750	8.1
169.10233	4.5
171.08112	5.0
171.11740	4.5
173.09691	4.9
173.13353	8.9
175.07596	6.3
175.11182	4.1
177.05681	2.8
177.16447	2.6
181.10283	2.8
183.04506	3.1
183.11734	4.4
185.09767	3.0
185.13374	5.0
187.11232	5.1
189.09657	2.6
189.11282	13.5
189.12871	6.1
191.10944	2.9
191.14377	7.5
191.18095	2.2
193.12312	4.3
195.11749	4.2
199.11359	5.5
199.13347	7.5
201.12895	3.5
205.12262	3.0
211.11243	2.4
211.14960	3.2
213.12917	3.2
213.33717	2.5
215.14311	3.6
217.12369	2.8
219.13824	22.0
223.11374	2.6
223.13261	2.6
225.12857	2.8
227.12682	2.4
233.15434	4.0
237.12943	3.4
247.16954	3.5
249.14728	4.2
255.13866	4.1
257.15607	2.5
269.04443	21.0
273.14716	10.6
275.16534	4.7
283.06073	6.4
287.16745	3.5
289.18158	3.4
297.04050	11.2
299.05646	5.5
321.22223	5.0
339.23270	4.8
343.15543	2.2
349.21671	14.5
367.22714	31.9
385.23782	37.8
403.25046	7.0
417.26492	3.3
441.26550	7.7
447.10754	5.8
459.11057	3.1
459.27457	79.4
473.08633	3.5
473.29224	7.1
491.09274	21.8
491.30240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.4
57.07056	3.3
59.05000	1.9
65.03931	3.2
67.05495	8.2
68.23671	2.0
69.07066	7.1
69.35549	17.0
74.53696	1.9
79.05495	5.5
81.07060	16.8
83.08620	2.5
87.11054	2.0
91.05483	94.1
93.07053	13.9
94.04171	2.8
95.04967	3.0
95.08624	9.0
98.20757	3.0
103.15380	1.9
105.07043	13.3
107.04967	3.2
107.08588	10.2
109.06522	63.4
109.10177	11.9
117.07009	3.1
119.06081	2.6
119.08611	5.4
121.06491	2.5
121.10149	3.8
123.08044	10.3
123.11712	5.3
129.06989	2.6
131.08553	2.0
133.10144	7.6
133.11081	1.9
135.11691	5.8
145.10097	3.4
147.00319	1.7
149.09692	2.0
151.04001	2.2
151.11203	10.2
151.12259	1.9
153.07106	1.8
157.10220	2.4
159.04433	2.2
159.08003	1.9
159.11734	2.1
165.07039	2.6
166.07820	4.3
167.08678	2.1
177.05324	2.5
179.08597	5.6
181.10103	4.6
187.14798	2.0
189.05479	8.9
189.09198	2.1
191.08640	2.6
194.07336	2.7
194.64447	2.0
203.07056	15.6
209.09715	3.1
224.08305	2.2
237.09126	7.1
239.10632	4.4
243.10204	24.6
267.10181	100.0
269.11725	3.2
285.11169	3.5
323.16449	35.9
455.26093	3.8
473.26752	12.8
491.31009	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	491.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81500	1.2
53.03949	1.5
55.05503	2.2
65.03949	2.5
67.05500	8.4
69.07084	2.9
69.21661	11.4
71.04999	7.3
75.04476	3.9
79.05506	6.3
81.07053	7.0
90.73159	1.3
91.05489	90.5
93.07063	8.7
95.04987	2.1
95.08627	5.9
96.86864	1.2
98.21590	2.2
105.03394	2.9
105.07035	8.4
107.08592	3.0
108.05766	1.7
109.06520	7.6
109.10186	15.2
117.07029	2.0
119.08593	3.9
123.08088	27.5
123.11687	2.1
128.06216	1.9
129.07005	2.0
131.04927	1.8
131.08597	3.0
133.10138	9.7
135.04439	1.9
135.08061	1.3
141.07005	2.7
143.08591	2.2
143.30185	1.2
145.06506	1.5
145.10129	2.4
147.08058	2.7
151.07568	1.7
151.11208	5.2
153.06973	1.3
154.07704	1.6
155.08493	1.3
158.07295	2.3
159.04439	1.5
159.08086	2.9
161.02333	1.7
161.05933	1.9
165.07013	3.4
166.07776	5.8
167.08505	1.6
169.10121	1.9
173.09654	3.8
174.10339	1.4
174.74597	1.2
179.08574	4.2
181.06487	1.7
181.10138	4.0
182.07286	1.9
187.03896	2.1
189.05495	7.8
191.08559	4.0
194.07303	4.1
197.09653	4.1
201.09140	6.9
203.07079	13.0
203.18188	1.2
207.08067	3.1
209.09642	3.0
211.11136	2.2
213.09167	3.7
219.08093	1.3
225.09119	1.6
229.12242	4.1
233.11748	7.9
237.09183	4.1
239.10652	4.6
241.08678	2.7
243.10165	5.1
249.09225	2.5
257.08023	2.0
257.11691	6.5
257.36453	1.2
259.09622	1.4
267.10181	100.0
285.11258	2.3
289.14600	2.0
323.16452	38.6
323.20078	2.3
359.16406	2.7
369.13492	1.5
377.17438	6.6
399.15906	1.7
413.17065	1.4
427.15036	1.6
431.18494	3.6
459.18005	1.5
491.20062	6.1
491.30206	4.4
491.36725	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32595	1.0
55.05507	1.5
57.07070	1.7
60.21922	1.1
65.03941	1.4
67.05504	6.2
69.07073	1.6
69.18312	11.2
74.75319	0.9
79.05490	1.8
81.03383	1.3
81.07047	4.5
89.06042	1.2
91.05489	70.7
93.07057	12.6
95.04980	1.6
95.08599	4.3
98.21518	1.9
105.04529	1.0
105.07047	6.5
107.08597	3.7
109.10166	9.0
113.04639	1.0
119.08593	3.5
121.10129	1.8
131.08585	1.6
133.10146	23.2
145.10135	1.9
145.13823	1.0
161.13452	1.1
165.07019	2.2
166.07764	4.3
178.07796	1.1
179.08572	3.4
181.10223	2.3
187.66298	1.1
189.05487	7.9
191.08574	1.7
194.07274	1.7
203.07025	3.1
209.09636	3.1
211.11038	1.6
224.08470	1.4
237.09067	4.6
238.14703	1.1
239.10634	3.9
249.09052	1.6
267.10193	100.0
268.10452	2.6
285.11194	3.0
287.08948	1.3
323.16446	38.1
324.16815	1.8
473.26471	1.9
491.36670	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55827	0.7
59.04985	1.2
59.48157	0.8
65.03923	1.7
67.05495	3.2
69.03439	0.8
69.07059	1.4
71.56313	0.7
71.56773	1.0
79.05472	1.3
81.03429	1.4
81.07039	2.8
91.05483	72.1
93.07030	3.4
95.04968	1.6
95.08612	2.1
105.03384	1.4
105.07057	5.6
107.08580	2.5
109.06540	5.9
109.10167	8.4
115.05434	1.0
117.07042	1.2
118.70972	0.8
119.08606	1.2
123.08057	3.2
128.06355	0.8
131.04915	1.9
131.08560	1.3
133.10144	6.1
135.04384	0.8
135.11659	0.9
141.06999	1.2
143.08501	1.3
145.10127	1.3
149.06136	0.7
151.11174	3.5
153.06915	0.9
155.08417	0.7
157.10100	0.9
159.04425	1.1
163.11166	0.9
165.07013	2.3
166.07774	4.8
171.07990	0.9
171.11624	0.9
173.09605	1.2
178.07768	2.1
179.08551	3.3
181.10092	2.6
183.08112	1.2
189.05518	8.0
189.07040	1.2
191.08612	2.9
194.07288	2.4
203.07040	12.7
207.08089	1.6
209.09593	2.5
211.11140	1.2
213.09097	1.2
215.14307	2.5
219.08119	1.1
220.18216	0.8
224.08398	1.3
237.09106	4.4
239.10724	4.4
243.10175	2.8
249.09052	1.2
253.15877	1.0
267.10175	100.0
268.10480	2.2
285.11038	1.1
309.22052	0.8
323.16437	40.2
324.16904	0.9
349.18222	1.4
359.16339	4.1
377.17593	7.6
409.07990	0.8
456.91971	0.9
473.22644	1.7
491.24197	5.0
491.30334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50436	1.6
55.01881	1.8
55.05498	4.6
56.01950	2.0
61.29714	1.7
65.03925	3.8
66.63735	1.9
67.05507	11.6
69.03426	1.9
69.07079	19.1
71.05006	2.2
71.16289	2.8
71.16650	1.9
79.05500	8.7
80.70061	1.6
81.07063	15.0
83.04974	3.0
86.00635	1.8
87.09226	3.3
91.05487	97.8
93.07049	32.1
95.04969	4.8
95.08608	11.8
103.05469	4.6
105.03391	3.7
105.07024	18.6
107.08606	24.8
109.06512	6.7
109.10164	15.2
117.07017	2.9
118.23456	1.9
119.08564	7.5
121.10138	5.3
123.11707	4.1
124.02602	1.8
129.06987	2.3
131.08580	4.3
133.06532	2.9
133.10124	12.5
135.04398	1.8
135.11702	24.8
143.08533	2.0
145.10103	6.1
147.08015	2.8
147.11690	3.7
149.02287	2.2
149.06026	3.6
149.13249	2.7
151.03877	4.9
151.11195	6.9
157.10114	3.4
159.08084	2.7
161.02338	3.8
161.05869	2.3
161.09578	3.1
163.11159	5.1
165.07021	3.1
166.07787	4.9
167.08595	1.9
169.10191	2.1
171.11777	2.9
172.46965	2.4
173.09599	2.2
175.07472	3.5
175.11166	2.5
175.14786	1.8
177.05492	7.5
177.12776	2.2
178.07779	4.1
179.06978	2.2
179.08545	4.8
181.10080	3.6
182.07256	2.1
187.03975	3.4
187.95674	2.2
189.05443	10.3
189.09094	3.1
191.08556	6.1
194.07339	2.4
195.07957	2.8
199.07571	2.9
199.14836	2.1
201.05353	1.7
201.09145	2.0
201.16408	2.3
203.07047	46.6
209.09659	3.9
211.07599	3.0
211.11156	2.1
212.10454	1.9
213.09125	2.3
215.10612	2.6
219.08127	4.0
219.17429	2.4
227.10548	2.9
229.08607	7.8
237.09045	7.8
239.10641	3.7
241.08539	5.3
243.10120	6.8
249.09177	2.8
253.08566	2.8
253.15891	2.9
255.10265	12.8
257.08069	7.8
259.09894	2.1
267.10181	100.0
268.10541	4.2
269.08063	13.7
269.11258	3.0
271.16858	5.3
279.10147	2.1
289.17941	2.3
309.14777	4.0
309.73648	2.0
321.14948	5.4
323.16440	30.9
337.14453	3.0
339.15854	6.7
362.20303	2.0
365.13867	3.8
397.65979	1.8
403.22839	4.4
405.16791	3.9
455.25732	7.4
472.57663	2.0
473.27640	37.1
491.14438	4.5
491.30063	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11335	0.7
53.03927	1.9
55.05500	1.3
59.04982	1.6
64.89471	0.7
65.03926	2.2
67.05513	5.3
69.03418	1.0
69.07082	6.1
71.04966	1.3
73.14740	0.7
73.67974	0.7
73.95654	0.7
79.05500	5.7
81.03432	3.6
81.07067	8.4
83.04956	1.2
83.61343	0.8
85.64124	0.8
86.52439	0.7
91.05487	81.0
91.68055	0.7
92.05771	1.0
93.07051	7.3
95.01334	0.9
95.04996	3.7
95.08613	5.2
97.06521	1.1
103.05450	2.4
105.03353	2.0
105.07031	11.1
107.04934	3.0
107.08596	6.2
109.06529	7.9
109.10162	10.2
115.05438	1.3
117.07021	2.0
119.08578	6.3
121.06535	1.7
121.10138	2.9
123.08086	4.1
123.11694	1.2
128.06207	1.3
129.06985	2.3
130.07829	0.9
131.04921	3.2
131.08563	2.8
133.06516	1.6
133.10130	7.3
135.04364	1.3
135.08041	1.5
135.11688	4.1
137.13232	1.5
141.06956	1.9
141.46544	0.7
143.08549	2.7
145.06459	1.9
145.10138	4.6
147.04446	1.0
147.08037	3.4
147.11723	1.8
149.02350	1.1
149.09618	1.1
151.03880	1.8
151.07492	1.0
151.11154	2.9
153.06963	1.4
154.07715	1.0
155.08508	2.1
156.09280	0.9
157.06516	1.2
157.10103	2.4
159.04442	1.8
159.08046	2.6
159.11700	2.5
161.02348	4.8
161.05974	3.2
161.09631	1.6
161.13341	1.1
163.03923	1.3
163.11177	2.4
165.06999	2.6
166.07774	3.9
167.03360	0.9
167.08554	1.5
169.10106	2.1
171.08032	1.2
171.11687	1.2
172.08884	0.9
173.06096	1.0
173.09622	2.9
173.13281	1.3
174.10353	0.9
175.03928	1.0
175.07518	1.9
175.11200	1.5
177.05518	0.8
178.07761	1.8
179.08565	4.0
181.10086	4.8
182.07265	0.8
183.08060	1.2
183.11673	1.4
185.05988	3.5
185.09647	1.8
185.13232	0.9
187.03914	1.2
187.07512	1.2
187.11143	3.0
189.05473	9.5
189.09103	1.9
189.12721	1.6
190.07814	0.9
191.07004	1.2
191.08577	4.2
193.10078	1.4
194.07278	2.5
195.08047	1.4
196.12263	1.1
197.09631	1.3
199.07582	1.2
201.09114	2.6
202.09906	1.5
203.07047	72.4
204.07317	1.3
207.08064	1.7
208.08913	1.0
209.09598	3.5
210.14111	0.7
211.07521	0.9
211.11206	2.4
213.09181	2.0
215.10751	2.9
215.14349	11.9
219.08113	1.5
221.09804	0.9
223.07581	1.0
224.08372	0.8
225.09113	1.5
227.10663	1.0
229.08612	1.9
237.09113	5.4
239.06985	1.3
239.10669	5.9
241.08588	3.2
243.10191	16.2
243.17473	1.6
249.09068	1.9
253.11998	0.9
253.15926	5.9
255.10211	1.4
255.13834	0.8
257.08020	2.0
259.09583	0.8
265.08716	1.6
267.10187	100.0
268.10446	1.8
269.08060	5.8
271.17014	6.0
285.11234	2.8
313.10867	1.9
321.14819	1.0
323.16455	35.7
339.15872	0.8
357.58154	0.8
359.16403	3.9
377.17554	4.9
405.16983	2.9
410.94449	0.9
455.21918	1.6
473.22614	13.3
491.17142	1.7
491.24319	34.8
491.30762	4.0
492.24490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.8
67.05502	0.9
69.03421	1.9
69.07053	1.4
70.06573	1.8
71.04992	1.0
71.57689	0.7
72.08174	3.5
72.26503	0.6
79.05498	1.0
81.03402	1.8
81.07030	0.9
84.08141	0.8
85.02882	2.5
85.06533	1.2
86.09700	0.9
87.00848	0.8
91.05467	2.5
94.26781	0.6
95.04974	0.8
97.02883	1.4
98.97591	1.5
99.04456	6.3
105.07005	1.1
107.08595	1.6
108.08154	0.8
109.02877	1.3
109.06488	0.8
109.10173	1.2
119.04935	0.8
119.08672	0.8
120.05191	0.7
120.08118	1.4
121.10121	1.2
123.08080	1.1
127.03925	1.4
132.08057	1.7
134.06007	1.0
137.05957	1.4
147.11591	0.9
148.07542	1.6
157.41957	0.7
167.10690	0.7
169.12192	1.0
174.07910	4.3
185.09180	0.6
188.09392	0.9
189.12714	1.0
191.14311	0.8
198.09154	1.5
199.08653	1.6
199.12115	0.8
201.10185	4.3
205.04738	1.6
207.13705	1.0
213.10217	2.2
213.14853	2.1
215.11737	5.9
216.12523	1.3
225.10155	1.5
225.14952	1.5
226.10884	1.2
227.08163	1.6
227.11847	4.7
228.12450	0.9
229.09747	3.3
229.13441	3.2
239.11778	2.9
241.09698	1.4
241.13351	1.5
242.10504	2.9
243.11363	4.0
243.16029	1.5
244.12099	1.3
253.13373	2.2
255.11227	3.9
257.12918	2.5
269.12924	2.5
273.12344	1.8
281.12860	3.8
283.10583	0.8
287.13895	6.6
288.14682	0.9
297.12320	2.4
298.13150	1.9
299.13910	28.2
301.11612	0.8
315.10291	0.5
315.13373	18.1
316.14178	68.2
317.14670	1.5
329.06750	0.8
431.14508	1.7
431.19583	3.1
443.78543	0.8
463.17233	1.2
473.15649	0.9
491.16541	100.0
492.16748	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	491.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05516	0.7
56.96552	0.8
60.48221	0.6
67.05499	1.3
69.03419	2.1
69.07067	1.3
70.06583	2.3
71.05013	1.3
71.55639	1.1
72.08174	3.8
73.02920	0.9
73.08489	1.1
73.57362	0.6
75.88698	0.6
79.05486	1.1
80.56286	0.7
81.03432	1.9
81.07053	1.3
82.73055	0.7
84.08125	1.3
85.02914	3.4
85.06503	0.6
86.09706	1.0
87.00809	1.1
91.05472	2.1
92.05804	0.6
95.05004	1.1
95.08598	1.1
97.02916	1.2
98.97578	1.9
99.04463	5.7
100.77563	0.6
105.07035	1.0
107.08587	1.1
109.02863	1.5
109.06479	1.2
118.06586	0.7
119.04963	1.1
120.08060	1.8
121.06533	1.3
121.10162	2.1
123.08010	1.1
127.03916	2.1
131.08557	0.7
132.08069	2.1
133.10132	1.0
135.11684	0.7
137.05962	1.2
137.09602	0.9
139.11089	0.8
140.07042	1.5
145.04950	1.0
148.07559	1.8
158.99692	0.7
163.11221	1.0
168.06537	1.3
169.12195	1.2
174.07848	3.9
175.07346	0.7
175.08719	1.3
181.12167	0.6
188.09378	0.8
189.12804	0.9
198.09161	0.8
199.08710	2.7
199.12256	0.8
200.09402	1.5
201.10239	5.0
205.04842	1.7
207.13878	0.8
213.10271	2.3
213.14841	1.6
214.11079	1.1
215.11763	7.2
216.12578	1.1
225.10237	1.5
225.14830	2.3
226.08769	0.8
226.11038	1.4
227.08318	1.2
227.11812	4.7
229.09763	4.3
229.13385	2.8
239.11775	3.2
241.09865	1.6
242.10558	2.3
243.11266	3.0
243.15804	1.5
253.13371	2.2
255.11171	4.3
257.12903	2.3
266.07712	0.7
269.12891	1.9
270.13617	0.8
273.12329	2.3
281.12869	3.4
283.10849	0.7
287.13834	6.9
288.14676	0.9
297.12247	3.3
298.13229	2.5
299.13916	30.0
300.14505	0.9
315.09921	1.3
315.13422	16.9
316.14197	69.1
317.14691	2.1
329.06741	0.9
431.14734	1.4
431.19568	4.6
463.17017	1.2
471.71393	0.7
473.15680	1.0
491.16562	100.0
492.16965	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	491.1551
Annotation	5-Methoxyafrormosin 7-O-glucoside
Peak:m/z	Relative Intensity
50.48809	0.3
53.03933	0.4
55.01881	0.4
55.05497	0.4
57.03433	0.6
59.37754	0.4
61.02919	0.5
67.05502	1.1
69.03430	2.0
69.07069	0.5
71.56754	0.5
73.02927	0.4
79.05497	0.8
81.03426	0.9
81.07050	1.5
83.08606	0.5
85.02921	2.1
91.05472	0.7
93.07030	0.9
95.04926	0.6
95.08607	1.1
97.02892	1.5
97.06524	0.4
105.06998	0.8
107.04978	0.4
107.08559	0.5
109.02840	0.6
109.06523	0.5
109.10149	0.8
119.08592	0.6
121.02870	0.5
121.06527	1.8
121.10162	0.8
127.03940	0.6
133.06483	0.5
133.10191	0.4
137.06021	0.4
137.09558	0.7
149.02344	5.8
151.03908	16.1
151.07495	0.4
161.09618	0.4
164.04686	1.5
165.09143	3.1
167.07098	0.4
189.12697	0.3
190.13092	0.4
197.05943	0.4
198.06700	0.9
201.05544	1.0
203.07045	1.8
215.07022	0.4
226.06262	4.6
229.04991	4.5
237.05635	0.4
238.06068	0.4
241.08601	0.5
243.06573	1.3
243.15923	0.7
254.05809	2.9
269.08020	2.4
271.05994	8.5
273.11264	0.6
281.04346	0.4
282.05295	2.7
283.05969	0.8
286.08289	0.6
297.07651	3.1
299.05521	37.3
300.05948	0.5
301.10809	0.7
313.07263	0.4
314.07874	14.2
329.10211	100.0
330.10596	1.5
362.58289	0.4
399.00934	0.4
491.15125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1553
Annotation	Salvigenin 5-glucoside
Peak:m/z	Relative Intensity
53.03922	0.3
55.01859	0.3
55.05478	0.2
57.03411	0.4
61.02910	0.5
66.47756	0.2
66.92111	0.2
67.05464	0.6
67.55141	0.2
69.03434	1.3
69.07031	0.3
69.26891	0.2
69.47662	0.2
70.92240	0.4
70.92572	0.3
73.02845	0.2
79.05452	0.2
81.03390	0.8
81.07015	0.9
85.02911	2.5
85.06525	0.3
89.82442	0.2
91.05460	0.5
93.06991	0.6
95.04944	0.3
95.08571	0.9
97.02861	0.9
97.06504	0.3
99.04420	0.3
105.06999	0.5
107.08552	0.6
109.02876	0.2
109.10130	0.8
119.08559	0.5
121.06514	1.8
121.10097	0.6
123.11647	0.4
127.03856	0.4
131.08511	0.2
133.10126	0.3
135.11633	0.2
137.05971	0.3
137.09579	0.5
139.11304	0.2
145.10196	0.3
147.04312	0.2
149.02344	4.7
149.13222	0.3
151.03909	16.4
153.05486	0.3
153.12767	0.2
164.04736	1.1
165.09135	4.3
169.06787	0.4
177.05508	0.4
197.05627	0.2
198.06775	0.7
201.05441	0.7
203.07059	2.4
207.13654	0.3
215.07004	0.8
225.05510	0.3
226.06270	4.3
227.06772	0.3
229.04948	4.7
231.92430	0.2
241.08499	0.4
243.06615	1.5
243.15901	0.9
253.04900	0.3
254.05763	3.2
255.06078	0.2
269.08093	2.8
271.06024	8.9
273.11203	0.6
281.04440	0.5
282.05243	2.6
283.06058	1.0
297.07657	2.9
299.05515	33.6
300.05841	0.6
301.10666	0.3
307.11102	0.3
314.07861	14.7
315.08191	0.4
329.10208	100.0
330.10495	1.8
349.21722	0.3
349.25687	0.2
470.04434	0.2
491.15521	0.9
491.35431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.155
Annotation	Salvigenin 5-glucoside
Peak:m/z	Relative Intensity
67.05569	0.3
68.28983	0.2
68.64005	0.2
69.03492	0.5
69.24290	2.0
81.03481	0.3
81.07128	0.3
84.04599	0.2
85.02971	0.4
91.15084	0.2
95.05067	0.3
97.02966	0.2
105.07134	0.3
107.05053	0.6
107.08667	0.3
109.06601	0.2
116.62000	0.2
123.97745	0.3
127.04034	0.3
133.10213	0.4
137.02336	1.6
151.03912	0.3
152.01045	1.2
162.03133	3.7
163.03914	1.2
167.03600	0.3
167.07053	1.1
170.02155	0.4
177.05603	0.4
178.06247	1.8
187.07603	0.4
191.14301	0.3
200.04845	0.9
201.05566	0.4
204.04271	0.6
212.04730	0.3
215.07176	0.7
225.05589	0.7
227.07095	0.7
227.16519	0.4
228.04198	1.4
229.05034	0.4
239.03415	8.6
240.04124	0.6
243.06538	2.7
243.15968	0.5
253.04996	2.6
255.06613	0.2
256.03696	1.1
265.05038	0.5
267.02966	1.7
267.06525	0.5
268.03656	0.6
268.07404	0.6
269.04724	0.2
269.08060	0.4
271.06009	8.7
281.04440	1.8
283.06097	1.8
284.03250	3.3
284.06433	0.4
285.04041	0.4
285.07520	0.4
295.05933	0.3
296.06903	1.3
297.07547	1.4
298.08411	0.3
298.12244	0.2
299.05518	45.1
300.05783	0.9
301.10754	0.3
313.06912	1.1
314.04303	2.4
314.07822	24.0
315.08133	0.4
315.64551	0.2
329.06555	12.0
329.10172	100.0
330.10458	2.4
468.25211	0.2
491.12799	1.0
496.61337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59412	1.5
53.03935	2.8
55.01854	2.0
55.05500	6.1
57.03423	3.7
57.07077	13.4
61.02919	2.2
65.03925	1.6
67.05181	1.6
67.05511	25.6
69.03430	10.9
69.07066	15.7
71.04985	2.4
71.57448	2.7
72.71456	1.4
73.02893	2.4
79.05492	4.6
81.03420	8.2
81.07060	18.3
83.04984	1.8
83.08606	4.8
85.02911	25.0
85.06549	100.0
87.00831	8.5
87.08097	5.1
91.04008	1.5
91.05480	10.9
93.07053	14.8
95.04960	3.7
95.08611	27.2
97.02895	11.5
97.06545	2.1
97.10176	2.5
99.04440	3.0
99.08102	2.8
105.01865	11.4
105.07030	21.0
107.08612	21.9
109.02874	5.6
109.06530	3.2
109.10162	27.3
111.08062	3.7
113.08884	2.1
113.09654	38.4
117.07101	1.6
119.08586	24.3
121.10149	28.0
123.08088	3.4
123.11725	10.7
125.09626	3.8
127.03916	15.3
127.11199	1.4
131.08580	2.2
133.10138	70.1
135.11697	21.6
136.12039	1.6
139.11150	3.2
145.05049	7.3
145.10115	2.4
147.11684	16.0
149.13268	16.1
151.11195	8.2
157.06503	1.6
157.10098	1.8
159.02911	2.9
159.11635	2.1
161.13254	4.5
163.14882	1.8
165.09184	3.2
175.14864	1.8
187.45403	1.6
189.16412	33.5
190.16762	2.0
191.17993	2.1
207.17451	87.8
208.17775	1.7
217.15761	1.8
225.18448	2.6
231.05057	4.6
305.09534	1.5
315.19479	2.1
328.08932	2.2
344.58966	1.5
361.66653	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
55.41659	0.6
56.96555	0.6
66.92416	0.6
69.07049	0.6
70.94636	1.3
70.94975	0.7
75.15752	0.5
79.05474	2.0
81.07025	1.6
83.04942	0.7
86.14954	0.5
91.05450	2.0
93.07030	2.2
95.01275	0.6
95.04950	1.1
95.08619	0.8
95.39410	0.5
98.97591	1.0
103.05433	1.0
105.07039	4.2
107.04920	2.0
107.08552	1.1
108.02078	0.7
108.38767	0.6
109.06466	0.7
109.10148	1.1
110.88923	0.5
112.65652	0.6
115.05354	0.7
116.98613	0.7
117.03352	1.2
118.04183	3.1
119.04926	1.2
119.08579	1.2
121.06484	0.8
123.00795	3.1
125.42897	0.6
128.06201	1.7
131.04945	0.8
132.05707	0.7
133.06471	2.5
135.04424	6.4
135.08022	1.7
136.01537	0.9
137.02316	1.2
137.05995	0.8
145.02811	1.9
145.10123	0.9
147.04379	2.3
151.03946	0.9
152.04704	2.1
152.06050	0.6
153.06949	0.9
154.02617	1.1
156.05679	0.8
161.02405	0.7
161.05965	2.6
163.03928	6.9
164.04724	1.4
167.07037	7.3
168.05673	1.3
171.08061	10.0
175.03868	0.9
177.05490	6.1
181.06429	1.7
183.08080	1.2
184.05182	2.3
189.01840	0.8
191.03403	2.2
192.04083	1.1
195.04901	0.6
195.06468	3.0
197.05984	1.7
199.07558	0.9
203.07054	1.7
207.06422	0.8
209.05963	4.5
209.07942	1.4
210.31519	0.6
212.04637	1.4
213.09126	3.7
223.03928	1.3
225.05513	1.4
226.06255	1.4
231.06584	3.6
237.05482	3.2
239.03351	0.8
239.07011	0.8
240.04176	1.6
240.07825	7.6
249.07549	0.8
251.07059	1.6
252.04153	0.7
253.04965	3.6
254.05811	4.4
255.06534	85.3
256.06989	2.9
257.08167	0.9
267.06653	0.7
268.07315	4.8
269.08109	58.9
270.08423	0.9
283.06018	31.7
284.06732	5.7
285.07639	1.2
295.05933	2.7
306.08789	0.8
313.07059	1.6
331.09674	0.8
332.10443	1.7
343.09714	1.5
351.07379	0.9
351.12308	2.4
359.09134	2.0
360.10016	0.9
371.09048	1.9
387.08612	2.3
388.09515	2.0
393.13217	0.8
403.11780	1.9
416.09045	1.5
431.11316	0.9
431.16974	0.7
444.08444	4.7
459.10825	20.3
460.10843	0.9
473.23434	0.9
479.92776	0.7
486.11649	1.1
491.13412	100.0
492.13602	3.1
509.11542	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	490.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83659	0.6
53.03940	0.9
55.02933	0.6
55.05508	0.8
65.03934	1.1
67.05502	2.1
69.07053	0.7
71.56693	1.0
79.05504	1.6
81.07045	2.7
91.05485	75.8
92.05807	1.3
93.07037	2.1
95.04963	0.9
95.08607	1.5
103.05492	1.2
105.03378	1.4
105.07040	9.7
106.03429	0.7
107.04938	0.7
107.08591	1.8
109.10155	2.1
115.05441	0.9
117.07012	1.0
119.08563	2.1
121.10114	1.1
131.04921	2.2
133.10106	0.9
135.04436	18.8
135.05513	0.9
135.11752	0.7
136.04771	4.6
145.10178	1.7
157.10197	1.0
159.04362	1.4
165.07054	2.0
166.07758	3.6
167.08479	0.9
177.05460	0.9
178.07811	2.1
179.08601	3.7
181.06496	1.1
181.10097	3.1
189.05486	10.7
189.07054	1.3
191.08545	3.9
193.10184	0.8
194.07298	2.4
195.08078	1.1
196.08859	0.8
203.07065	1.7
207.08070	1.9
209.09697	4.7
211.11180	2.1
213.09128	1.0
219.08032	2.4
220.41049	0.8
224.08282	1.8
225.09126	0.9
228.64288	0.7
235.07440	0.6
237.09077	6.9
239.10674	5.1
249.09140	1.9
255.10202	1.1
267.10172	100.0
268.10510	2.5
285.11307	3.5
286.07996	1.0
323.16440	67.0
324.16809	1.7
398.31378	0.9
450.70685	0.7
455.22168	25.6
490.26425	1.2
490.36169	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	490.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01875	2.3
55.05511	5.3
57.03435	2.3
57.07082	10.6
61.47169	1.1
62.81758	1.1
67.05511	20.4
69.03432	9.9
69.07072	15.9
69.35124	10.5
71.04990	3.0
73.02927	2.1
73.92768	1.2
79.05495	4.1
81.03426	5.8
81.07057	17.0
83.04996	1.7
83.08614	3.0
85.02905	19.9
85.06547	91.3
87.00837	9.8
87.08109	5.0
91.05482	9.0
93.07040	16.0
95.04969	4.0
95.08609	30.0
97.02887	8.9
97.06528	2.2
97.10155	1.7
99.04449	3.6
99.08098	3.7
105.01884	12.2
105.07033	18.3
107.08600	24.2
109.02858	4.1
109.10166	25.0
111.08079	2.1
113.09648	37.1
115.03970	1.4
117.01861	1.9
119.08588	23.8
121.06483	1.8
121.10153	26.0
123.08076	2.6
123.11711	5.6
125.09619	3.2
127.03922	15.6
131.08527	2.1
133.10135	73.7
135.11702	20.9
137.09651	1.6
137.13254	1.7
139.11174	3.5
145.04977	6.7
145.10109	2.8
147.11667	15.2
149.13290	12.1
151.11130	6.5
159.02925	4.6
159.11761	1.9
161.13261	5.7
163.14778	1.5
165.09145	2.0
189.03870	1.2
189.16394	32.5
191.17857	1.9
194.90755	1.3
207.17450	100.0
208.17830	2.6
225.18549	4.3
231.04990	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	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90917	0.5
53.26354	0.5
53.34647	0.6
54.62320	0.6
56.96563	2.3
57.03434	0.8
69.03429	2.2
69.74624	3.2
71.26669	0.6
72.08160	1.3
73.02907	0.6
79.05481	0.8
83.04967	0.5
84.08130	0.8
85.02905	4.1
85.06542	2.9
91.05485	0.7
93.07047	1.2
97.02917	1.4
98.97596	5.3
103.05477	6.4
107.04994	1.5
110.97575	1.5
116.98632	1.5
120.08111	100.0
121.08417	1.3
127.07628	0.9
128.98593	1.1
130.08665	1.4
131.04930	2.9
136.07646	0.8
137.05969	0.6
143.00206	0.8
145.04893	0.6
145.08636	1.6
149.05975	2.2
158.99704	1.7
163.09676	1.8
166.08652	46.1
167.08998	0.7
177.00807	0.9
182.08125	0.6
201.00768	0.6
219.01767	2.8
237.02901	2.6
261.32913	0.6
295.84528	0.6
382.09006	0.7
423.11874	0.8
490.20789	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90824	1.2
55.01867	1.3
55.05510	1.5
56.89044	1.1
64.23994	1.2
67.05503	9.5
69.03445	3.1
69.46561	1.1
71.04998	2.8
71.37758	2.7
73.22948	1.1
74.43053	1.2
79.05484	1.7
81.07065	4.0
85.02887	1.7
91.05463	2.3
93.07060	2.0
95.04968	4.2
95.08610	3.6
97.02892	5.1
97.06499	1.4
99.04440	6.7
105.07024	2.0
107.08617	6.5
109.06526	5.1
109.10162	100.0
109.40057	1.2
121.10123	1.7
123.08070	5.7
125.09640	2.1
131.08652	1.4
133.06496	1.4
138.09132	1.7
145.10127	1.3
147.11685	1.7
149.09653	2.1
151.07555	24.2
163.11183	4.4
166.08603	3.3
167.10609	1.6
189.12791	6.4
207.13814	47.6
225.14857	8.5
249.10246	2.7
263.11722	2.7
265.09744	1.7
279.11322	2.3
291.11298	5.4
293.12781	1.9
296.06287	1.4
309.12344	2.7
319.10712	2.6
325.11868	1.6
337.11868	10.0
387.38885	1.2
490.18976	1.2
490.23532	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	490.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91541	0.8
53.03955	1.2
55.01875	0.9
55.05518	3.7
56.96568	1.0
57.03433	1.5
65.03960	1.0
67.05504	3.9
69.03419	3.3
69.07064	3.1
70.06602	1.0
71.05000	2.8
71.08647	1.2
71.58350	1.2
77.51299	0.8
79.05495	3.8
79.24393	0.8
80.99821	0.9
81.03414	1.2
81.07062	5.3
83.04985	3.3
83.08628	1.1
84.08158	0.9
85.02895	4.3
85.06549	28.5
86.06075	5.3
91.05492	5.4
93.07052	8.0
95.04977	8.2
95.08604	5.7
96.08897	1.1
97.02900	1.9
97.06534	1.9
97.10179	1.1
98.09694	2.6
98.97592	1.2
99.08106	2.0
101.06011	1.7
103.05470	1.6
103.06171	0.8
105.07050	8.5
107.04968	1.8
107.07434	1.5
107.08606	26.3
108.08128	1.3
109.02897	1.1
109.06535	3.3
109.10170	2.6
111.04451	4.1
111.08100	6.6
116.10738	8.3
119.08597	6.3
121.06496	2.2
121.10142	7.6
122.07301	1.2
122.09717	2.2
123.08087	2.8
123.11706	2.8
125.09659	2.9
127.03940	1.9
129.05498	2.1
131.08562	5.3
133.06421	1.2
133.10103	5.2
137.09639	3.2
139.15004	0.8
142.08640	2.0
143.10667	1.3
145.06555	1.0
145.10124	2.7
147.08073	1.3
147.11700	11.4
149.09631	44.1
150.09145	17.1
151.07535	1.6
159.11676	1.0
161.13225	2.1
165.09148	2.5
165.12711	2.2
166.09523	1.7
167.07034	1.0
171.11693	2.0
189.12766	7.6
189.16350	1.6
207.13821	100.0
208.13785	0.8
214.18054	3.9
226.14421	3.4
237.10304	1.5
244.08862	0.8
251.11775	1.7
265.09802	1.5
279.11435	0.9
293.09265	1.5
327.04749	0.8
341.11264	1.4
353.11099	2.6
392.19208	14.0
458.16751	0.9
490.19586	4.8
490.26266	2.2
490.34921	2.0
491.12482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78514	2.2
55.05508	2.4
59.82988	2.0
69.03410	6.2
69.24929	11.8
69.25350	10.4
70.48866	2.2
71.04978	2.3
79.05474	2.6
81.03418	3.8
81.07052	6.0
85.02905	31.0
87.00803	5.0
91.05464	4.8
93.07063	3.8
97.02904	5.8
97.33336	2.2
105.01852	3.0
105.07040	10.9
107.08601	5.4
109.02857	3.4
109.06502	3.5
119.08579	14.6
121.10143	6.2
123.11703	22.9
127.03921	6.3
128.10599	2.1
131.08536	3.2
133.06548	2.7
145.10139	17.3
147.11693	27.4
156.09323	5.9
159.02863	3.1
167.07014	8.7
171.11696	4.5
189.12743	100.0
195.15263	2.3
196.10762	2.8
207.13785	26.7
219.97122	2.0
225.14807	7.5
229.04018	2.4
243.17313	2.5
491.17496	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	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.1
57.25777	2.6
67.05493	4.3
68.87416	2.3
69.03416	5.1
69.07071	4.2
69.43461	13.2
69.43886	8.7
79.05489	7.3
81.07046	5.9
82.04115	2.6
83.04984	4.7
83.08625	3.3
85.02903	9.4
85.06548	9.9
86.06087	3.1
91.05501	16.5
91.24426	2.9
93.07059	4.3
95.04998	3.8
95.08611	9.5
97.02882	2.6
98.20778	5.2
103.05474	5.4
105.01879	7.5
105.07034	51.1
107.08596	9.0
109.06509	12.9
109.10146	3.4
116.10756	3.9
117.07030	6.7
119.08582	54.8
121.10155	13.1
121.61071	3.1
123.08097	11.8
123.11734	6.2
126.99668	2.6
127.03925	3.9
127.53745	2.9
131.08585	8.9
133.06508	6.7
133.10158	3.3
137.09657	8.8
145.10123	16.7
147.11697	73.6
149.09604	8.9
156.09349	4.2
163.11256	5.5
167.07057	8.0
171.11731	5.5
189.12752	73.4
207.13818	100.0
225.14915	3.4
253.79201	2.5
307.35028	2.9
310.14319	5.9
376.19708	4.9
431.08597	3.0
454.70505	3.1
455.19458	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	489.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.2
53.03946	3.6
53.89734	1.2
55.01876	2.7
55.05511	20.7
55.10957	1.3
55.62183	1.4
57.03439	3.5
57.07075	8.7
59.04996	1.4
61.02923	2.3
61.63951	1.3
62.24959	1.2
65.03931	2.2
67.05514	26.9
69.03439	10.4
69.06717	2.7
69.07073	40.8
70.06602	1.6
71.04993	4.7
71.08656	2.2
71.58094	1.1
79.05502	16.0
81.03410	4.3
81.07063	100.0
83.04994	2.6
83.08624	12.6
84.81786	1.2
85.02911	21.3
85.06548	35.5
85.10278	1.4
86.09702	1.3
87.00829	1.9
91.05473	11.1
93.07054	38.2
95.04970	4.8
95.08615	80.2
97.02894	6.2
97.06541	4.6
97.10178	11.9
99.04465	1.9
99.08102	28.0
99.25249	1.2
105.07037	14.5
107.05026	1.5
107.08602	34.7
109.02904	3.2
109.06535	3.5
109.10165	40.4
111.08106	10.9
111.11732	9.0
113.09644	5.2
117.07050	2.7
119.08606	11.9
120.08210	1.3
121.06487	1.5
121.10146	35.5
123.08102	7.3
123.11715	26.5
125.09644	5.9
127.03899	5.0
127.11179	3.3
131.08522	1.7
133.10123	10.0
135.07996	1.5
135.11723	20.1
137.05978	5.5
137.09636	5.2
137.13258	14.1
139.11212	6.6
143.08560	3.1
145.04984	2.2
145.10136	5.2
147.11702	9.3
149.09662	1.9
149.12160	2.5
149.13264	29.3
151.11249	2.0
151.14807	4.1
153.12758	5.5
159.11710	1.5
161.13306	5.7
163.14838	11.2
165.09232	2.1
165.12781	10.0
165.16455	2.0
167.10681	1.5
167.14314	3.5
167.71085	1.2
173.13277	1.5
175.14848	3.7
177.16383	20.5
179.14369	1.7
187.14828	2.2
189.12650	2.9
189.16385	1.9
191.17969	3.8
195.17465	17.7
205.15884	1.7
205.19492	1.6
207.13866	5.2
209.19089	3.1
213.18504	41.6
217.19563	3.0
221.15384	2.9
223.16959	5.0
225.14983	2.1
235.20522	2.8
241.18018	5.4
273.25815	4.2
279.26846	4.8
285.07706	3.1
291.26852	17.8
297.27924	4.1
309.27905	23.2
327.28970	10.9
399.29144	1.8
489.22311	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88190	0.3
56.05035	1.8
56.96560	0.4
58.06600	0.3
68.05019	0.3
70.38100	0.7
72.08157	0.6
74.06076	0.4
80.41615	0.3
83.04978	0.9
84.04507	0.4
84.08138	1.0
86.06045	0.4
87.99924	0.3
89.73091	0.3
97.07652	3.2
98.97607	0.4
101.06006	0.4
101.07123	0.6
102.05550	14.0
102.09188	0.9
111.04459	0.4
112.07613	5.4
112.99133	0.3
113.06019	0.3
116.10632	0.4
117.40143	0.3
118.95898	0.3
128.07077	0.6
128.10701	1.1
130.08640	1.6
140.07094	0.8
141.10271	0.7
142.09735	0.4
143.07150	0.4
143.08162	1.3
153.56676	0.3
158.08192	0.5
173.62755	0.3
174.11272	100.0
175.11705	0.9
187.10802	1.3
188.12825	8.4
219.01788	0.5
254.15076	2.5
272.07944	0.4
272.16074	2.2
290.09238	0.3
298.17645	1.1
302.17142	0.5
316.18686	28.7
429.19168	0.5
457.12750	0.7
489.14658	0.6
490.14554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44938	1.9
53.03938	3.3
55.01860	3.6
55.05516	19.3
57.03423	3.3
57.07070	3.8
59.98124	1.6
62.58812	1.7
65.03951	2.1
67.05515	15.0
68.99780	2.4
69.03429	6.6
69.07076	18.2
69.35509	10.5
69.35929	5.2
70.06599	4.2
71.04988	2.0
79.05487	13.6
81.03419	4.2
81.07061	49.8
82.06610	2.1
83.05005	2.9
83.08617	7.2
84.04620	2.2
85.02915	11.6
85.06549	8.3
91.05481	20.8
92.77148	1.5
93.07049	24.6
95.04971	5.4
95.08616	33.2
97.02912	3.4
97.06538	13.0
97.10173	25.4
98.21450	3.0
99.04454	1.9
103.05479	8.8
105.03422	2.1
105.07044	18.5
107.04963	5.4
107.08599	29.3
109.02873	3.0
109.06551	3.5
109.10168	23.1
111.08086	4.1
111.11703	2.9
117.06976	3.4
119.08584	17.9
121.10152	19.8
122.19062	1.6
123.08065	2.8
123.11706	19.7
125.09630	6.3
127.03947	3.4
127.11224	2.1
127.19232	1.5
129.38596	1.7
131.04918	5.2
131.08589	3.7
133.10112	10.0
135.04416	44.3
135.11716	20.4
137.05975	2.5
137.09599	2.8
137.13261	4.9
139.11137	3.9
143.10687	7.5
145.10129	6.6
147.04454	2.9
147.11726	7.0
148.05330	1.7
149.13283	19.1
151.11168	1.8
151.14793	2.2
153.12737	11.6
157.10136	2.4
159.04465	3.4
159.11716	7.5
161.13235	4.7
163.03918	80.4
163.11128	2.1
163.14809	4.1
165.09126	2.9
167.08522	3.4
167.14337	2.6
171.11888	1.5
173.13344	2.9
175.03903	2.9
175.14990	2.4
177.12912	1.7
177.16339	3.1
187.03905	3.5
187.11133	1.7
187.14850	4.0
189.16365	2.6
201.05528	2.4
205.04980	6.3
209.19072	2.4
213.09090	4.6
223.07553	2.2
235.16975	3.2
241.08612	100.0
242.09007	2.5
253.08658	6.7
257.13931	3.4
265.08777	2.1
265.25293	2.1
279.26709	2.5
283.09689	7.4
285.13370	3.9
285.22168	4.0
291.23184	4.5
291.26846	14.9
292.45465	1.7
297.27887	3.2
303.23215	7.0
307.09738	6.2
309.27881	7.5
327.28879	4.3
331.09726	4.3
349.10791	6.3
453.11707	3.6
453.28873	2.5
489.12915	3.2
489.23004	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	489.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
53.49913	1.5
55.05512	15.6
57.03422	2.7
57.07059	6.5
63.18633	1.6
65.03935	1.5
66.50304	1.5
67.05509	24.5
69.03410	3.5
69.07070	27.1
69.66413	1.5
69.98981	7.9
69.99362	2.8
71.08603	1.6
72.26055	1.7
79.05498	15.7
81.03425	2.7
81.07058	100.0
83.08619	10.2
85.02904	22.5
85.06537	23.2
91.05479	5.9
93.07054	25.9
95.08607	75.3
97.02883	6.3
97.10176	9.1
99.08090	21.9
105.07048	11.3
107.08597	36.5
109.02863	2.2
109.10154	52.5
111.08099	3.7
111.11713	7.3
113.09606	7.7
116.10757	2.1
119.08570	14.2
121.10135	24.7
123.08045	2.0
123.11713	29.5
125.09634	4.8
127.03905	4.0
127.11137	3.7
129.12788	2.0
133.10123	6.5
135.11708	16.8
137.13235	11.9
139.11226	2.1
141.12825	2.0
145.04990	3.8
145.10097	2.7
147.11664	7.2
149.13251	37.5
151.14798	5.6
161.13260	7.3
163.14838	24.6
165.16386	2.8
167.14230	2.2
175.12799	1.8
175.14835	3.8
177.16389	13.4
181.15854	4.6
183.17329	1.9
189.16370	2.4
191.17944	5.0
195.17474	4.1
197.19019	3.5
203.17990	4.8
205.19542	2.3
209.19012	4.0
217.19586	8.8
235.20583	3.4
247.24411	2.8
265.25110	2.2
273.25757	11.7
291.26807	30.9
309.27902	11.1
316.32626	2.1
327.28931	2.1
489.22769	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	489.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.29935	0.3
55.01862	0.4
55.05515	2.2
57.07064	0.5
65.03936	0.4
67.05508	2.3
69.03423	1.3
69.07066	2.9
70.06592	0.8
70.81594	0.9
71.04999	0.8
79.05486	1.7
81.03428	0.5
81.07063	5.6
83.05002	0.9
83.08629	0.9
85.02921	1.7
85.06552	1.0
87.00823	0.3
90.04268	0.3
91.05482	1.5
93.07051	2.6
95.04995	0.8
95.08609	4.9
97.02906	0.8
97.06542	1.0
97.10161	1.8
98.97594	0.4
99.08092	0.7
103.05470	0.3
105.07041	2.4
107.08611	3.6
109.06490	0.5
109.10160	3.2
111.08096	0.9
115.07601	0.3
119.08585	2.0
121.10130	2.4
123.11752	2.7
125.09628	1.1
127.03923	0.6
129.07037	0.4
131.08578	1.0
133.02806	0.3
133.10126	1.2
135.04504	0.4
135.11711	1.4
137.06007	0.5
137.09637	1.0
137.13327	0.5
139.11186	0.6
143.08574	0.6
143.10701	0.4
145.04956	0.4
145.10178	0.8
147.04425	0.5
147.11742	1.2
149.09612	0.4
149.13269	1.6
151.07710	0.5
151.11198	0.4
153.12718	0.8
157.10158	0.5
159.08174	0.4
159.11720	1.0
161.13309	0.7
163.03891	0.6
163.11206	0.6
163.14842	0.4
165.09163	1.1
167.07097	0.7
171.11748	0.4
173.13348	0.4
183.08127	0.3
187.14859	0.6
197.13229	0.4
223.16896	0.5
241.08656	1.2
258.20016	0.4
271.06036	0.5
291.23633	0.4
291.26840	0.8
303.23141	0.4
309.27600	0.5
357.18909	4.9
413.06833	0.6
442.06946	0.6
453.28812	0.7
489.11642	3.2
489.23105	100.0
490.23386	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	489.1397
Annotation	Acacetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03954	0.8
55.05506	2.5
67.05507	1.9
68.99799	0.9
69.03446	0.8
69.07069	1.7
69.56498	1.7
69.56924	2.2
70.06599	0.9
71.04998	0.7
79.05499	2.1
81.03421	0.8
81.07066	5.8
83.08630	0.9
85.02912	2.5
85.06550	1.3
91.05486	10.3
93.07044	4.4
95.04995	1.1
95.08610	4.0
97.02934	0.8
97.06541	1.2
97.10179	3.4
103.05482	7.5
105.03393	1.7
105.07042	2.2
107.04974	4.1
107.08609	3.8
109.02901	1.2
109.10158	3.2
110.66739	0.6
115.05473	0.6
119.08594	3.2
121.06482	0.5
121.10149	2.4
123.11695	2.7
125.09663	1.1
127.03911	0.7
128.06230	0.6
129.07002	1.1
131.04941	5.0
133.02882	0.8
133.10130	1.5
135.04425	44.1
135.11723	3.4
141.07024	1.0
143.08569	1.0
145.06532	1.0
145.10162	1.1
147.04410	2.4
147.11665	0.8
149.05980	0.9
149.13297	2.0
150.03123	0.8
152.06226	0.8
153.12743	1.7
155.08562	0.7
157.06505	0.7
159.04427	2.8
159.11650	0.8
161.05974	0.8
163.03917	81.2
163.14835	0.8
164.04271	0.8
165.07039	2.3
167.08580	2.2
173.05995	2.0
175.03966	1.9
175.07602	0.8
177.05519	2.2
177.06941	0.7
178.07834	0.6
179.08568	1.0
181.06525	0.7
187.03926	2.6
191.08537	1.3
195.08064	1.5
201.05499	2.9
205.04970	6.1
207.08127	0.7
209.09691	0.6
209.15335	0.7
213.09108	5.5
215.07065	0.7
223.07524	2.5
225.05428	1.7
225.09091	1.2
229.04999	0.9
235.07547	1.5
237.09161	1.0
241.08612	100.0
242.08958	1.7
242.22670	0.6
242.68771	0.6
243.06464	1.0
247.07484	0.9
251.10695	0.8
253.08650	6.3
265.08514	3.5
275.10739	0.6
279.10223	2.0
283.09671	11.5
284.10077	0.6
291.23465	0.7
291.26840	1.1
293.11780	0.8
303.10144	2.0
303.23239	1.6
307.09698	6.3
331.09625	3.5
337.10767	0.8
349.10715	7.5
403.13907	0.9
453.12009	5.0
453.28073	0.8
471.12997	1.0
489.13385	1.4
489.15155	1.3
489.23123	6.0
489.34595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.2
57.07081	6.1
65.28033	3.6
67.05507	15.9
69.07081	21.5
71.57928	8.3
79.05499	10.9
81.07060	31.0
83.08625	27.5
90.10699	3.9
91.05493	29.1
93.07057	34.2
95.08614	98.7
97.10179	5.5
105.06387	4.8
105.07040	57.7
107.08600	23.2
107.62446	4.7
109.10154	16.7
117.07020	5.4
119.08572	32.2
121.06564	5.2
121.10150	12.7
122.61298	4.5
123.11675	6.4
125.06007	8.7
131.08578	32.6
133.10164	19.1
135.11688	10.8
137.05989	9.9
143.08534	4.7
145.06482	5.4
145.10118	28.6
147.11711	30.5
149.05972	11.1
149.13246	5.7
151.03912	4.8
157.10080	13.3
159.08043	5.7
159.10573	3.8
159.11659	22.6
161.13246	6.4
173.13255	60.3
187.14853	6.1
201.12755	40.1
203.17958	5.2
219.13806	100.0
229.19554	57.4
257.19131	10.4
267.10324	5.5
275.20157	13.7
345.43741	4.7
447.14847	4.9
465.15457	5.6
488.33380	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	487.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.0
55.01867	13.4
55.05511	25.1
56.94016	7.2
56.96576	9.3
57.03438	12.5
57.07057	9.4
59.04986	6.8
66.05572	7.1
67.05507	32.2
68.99770	7.4
69.03426	58.8
69.07065	73.7
70.82098	16.8
71.04985	25.5
73.02926	7.3
79.05495	34.2
79.56226	7.1
81.03422	57.3
81.07067	84.3
83.04989	16.3
83.08598	25.9
84.08125	14.3
85.02907	83.3
85.06542	11.2
86.09686	15.8
87.00820	30.0
91.05473	29.5
93.07039	71.2
95.04965	21.3
95.08619	64.4
97.02916	41.6
97.06535	28.8
97.10175	10.7
98.97591	12.9
99.04459	18.8
105.01853	23.0
105.07040	39.3
107.08591	63.7
109.02866	34.3
109.06508	14.8
109.10177	56.9
111.08077	16.7
111.11737	9.3
115.04020	8.2
119.08575	37.6
121.06503	13.4
121.10143	34.0
123.08105	18.2
123.11723	21.2
124.05129	7.5
125.06030	7.3
125.09629	16.3
125.13263	26.4
127.03938	47.4
127.07561	6.2
131.08548	18.3
133.02824	18.4
133.10173	34.5
135.11702	65.7
137.05995	23.2
137.09613	19.4
137.13232	8.2
142.07672	7.9
143.08569	11.0
145.04967	20.0
145.10103	16.4
147.04465	8.4
147.11667	19.7
147.58563	7.4
149.09583	8.3
149.13252	25.2
151.07544	8.6
151.14864	6.6
153.12732	32.4
157.10153	9.7
159.02812	16.1
159.11652	7.9
161.05978	17.7
161.09544	11.9
161.13225	16.4
163.11209	8.0
175.11214	10.4
180.52650	8.4
187.14772	6.4
200.98840	6.9
201.05545	9.0
203.17937	31.7
221.15413	10.0
221.19005	100.0
227.17856	6.6
237.14844	10.6
239.20056	11.6
259.20374	7.0
293.08203	7.3
325.10690	18.6
469.14355	13.7
487.15686	22.1
487.21875	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	487.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
54.53683	4.5
55.01850	5.1
55.05515	23.8
57.03440	6.8
57.07079	9.9
67.05507	31.3
68.20267	4.3
69.03428	13.3
69.07058	25.6
79.05491	27.7
81.03424	6.5
81.07063	100.0
83.04984	6.6
83.08620	16.8
85.02903	25.3
85.06545	26.5
86.09719	11.0
91.05474	20.5
93.07047	41.4
95.04974	5.2
95.08604	68.7
97.02898	10.4
97.06534	5.6
97.10169	22.3
99.08096	16.0
105.07027	31.5
107.08605	45.6
109.06591	5.3
109.10166	41.7
111.08133	5.4
119.08592	33.2
121.10133	30.6
123.08136	5.4
123.11691	26.4
125.09625	9.3
127.03899	9.4
131.08568	7.9
133.02817	6.0
133.10120	23.1
135.08044	6.4
135.11693	21.6
137.05962	6.6
139.11177	6.9
145.04956	5.4
145.10120	16.8
147.04419	7.0
147.11670	21.0
149.13242	17.0
151.14871	6.5
153.12753	7.1
159.11697	15.1
161.13280	12.4
163.11116	6.7
163.14833	16.1
165.12808	7.8
173.13263	9.5
175.14783	11.1
177.05411	6.9
177.16391	6.2
181.61192	4.5
187.14877	6.4
189.16362	7.0
195.73174	5.3
209.11549	5.8
215.18051	5.7
221.15550	6.2
271.24265	7.4
277.25314	6.3
289.25272	14.4
307.26309	16.5
325.13211	5.3
325.27347	17.2
389.83746	6.4
409.95508	5.6
469.15671	5.8
470.22659	5.8
487.22229	31.7
508.44232	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	487.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.0
55.01867	13.4
55.05511	25.1
56.94016	7.2
56.96576	9.3
57.03438	12.5
57.07057	9.4
59.04986	6.8
66.05572	7.1
67.05507	32.2
68.99770	7.4
69.03426	58.8
69.07065	73.7
70.82098	16.8
71.04985	25.5
73.02926	7.3
79.05495	34.2
79.56226	7.1
81.03422	57.3
81.07067	84.3
83.04989	16.3
83.08598	25.9
84.08125	14.3
85.02907	83.3
85.06542	11.2
86.09686	15.8
87.00820	30.0
91.05473	29.5
93.07039	71.2
95.04965	21.3
95.08619	64.4
97.02916	41.6
97.06535	28.8
97.10175	10.7
98.97591	12.9
99.04459	18.8
105.01853	23.0
105.07040	39.3
107.08591	63.7
109.02866	34.3
109.06508	14.8
109.10177	56.9
111.08077	16.7
111.11737	9.3
115.04020	8.2
119.08575	37.6
121.06503	13.4
121.10143	34.0
123.08105	18.2
123.11723	21.2
124.05129	7.5
125.06030	7.3
125.09629	16.3
125.13263	26.4
127.03938	47.4
127.07561	6.2
131.08548	18.3
133.02824	18.4
133.10173	34.5
135.11702	65.7
137.05995	23.2
137.09613	19.4
137.13232	8.2
142.07672	7.9
143.08569	11.0
145.04967	20.0
145.10103	16.4
147.04465	8.4
147.11667	19.7
147.58563	7.4
149.09583	8.3
149.13252	25.2
151.07544	8.6
151.14864	6.6
153.12732	32.4
157.10153	9.7
159.02812	16.1
159.11652	7.9
161.05978	17.7
161.09544	11.9
161.13225	16.4
163.11209	8.0
175.11214	10.4
180.52650	8.4
187.14772	6.4
200.98840	6.9
201.05545	9.0
203.17937	31.7
221.15413	10.0
221.19005	100.0
227.17856	6.6
237.14844	10.6
239.20056	11.6
259.20374	7.0
293.08203	7.3
325.10690	18.6
469.14355	13.7
487.15686	22.1
487.21875	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	487.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.6
55.05503	4.2
58.33244	1.5
61.18224	2.2
65.03948	2.1
67.05507	7.5
69.03427	5.2
69.07061	13.3
71.18847	3.6
73.06561	17.8
79.05483	4.8
81.03414	7.8
81.07066	8.8
87.04499	2.2
91.05479	19.4
91.58662	1.5
93.07045	7.2
95.04995	7.4
95.08628	7.3
99.04481	10.5
99.08092	4.8
99.28903	1.4
103.05478	2.5
105.03381	2.1
105.07041	22.6
106.82881	1.5
107.04989	1.7
107.08595	7.7
109.02844	1.4
109.06543	3.9
109.10149	6.5
117.07021	7.1
119.07777	2.5
119.08585	31.4
121.02847	1.9
121.06514	6.4
121.10127	2.9
122.91608	1.6
123.08087	2.3
125.05995	2.2
128.06247	3.8
129.07005	9.2
131.08563	5.3
133.06497	4.2
133.10127	7.1
135.04463	1.9
135.08055	5.2
135.11635	1.9
136.08849	8.5
139.11166	1.8
141.07007	4.7
142.07799	3.0
143.08589	12.2
145.06505	5.7
145.10074	9.5
147.04367	2.1
147.08072	6.1
147.11681	11.1
148.08832	3.6
149.09634	2.2
151.03926	14.1
155.08571	8.5
156.09340	4.2
157.10136	5.4
158.07182	1.5
159.08046	3.7
159.11702	3.7
161.02345	8.2
161.05963	4.6
161.09584	4.7
165.06972	2.5
165.09041	1.9
167.08562	4.4
169.06453	2.7
169.10110	5.5
171.08092	3.8
171.11739	8.7
172.08826	1.8
173.09613	9.0
173.13266	2.2
175.04019	1.7
175.07542	4.3
177.09294	1.8
179.07094	1.9
179.08592	3.5
181.10150	5.4
182.07234	1.4
183.08134	8.3
183.11678	2.5
184.08810	3.7
185.06004	3.1
185.09645	10.5
187.11148	3.5
187.14897	2.0
188.12006	1.6
189.09131	4.0
195.08015	2.1
195.11711	3.0
196.08817	1.8
197.09627	5.9
198.10373	1.9
199.07584	2.5
199.11197	2.8
201.09135	18.2
202.66789	1.5
203.07039	100.0
203.14333	5.9
203.17960	9.3
209.09621	3.2
209.13226	2.9
211.07614	2.3
211.11301	4.2
213.12701	3.1
215.10680	12.0
216.11481	31.6
217.12172	4.7
220.63501	1.5
225.16324	2.1
227.14355	5.1
229.08569	4.4
229.12129	2.3
241.08647	2.1
243.10138	12.7
245.15419	3.1
253.15886	27.5
267.10217	6.3
269.08200	7.7
285.11273	28.9
285.18484	46.6
347.12881	2.0
378.82162	1.8
418.17697	14.0
419.18631	3.2
431.18820	2.9
455.22284	11.5
469.33115	1.7
487.24069	12.7
487.35608	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	487.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
63.79949	0.4
69.07066	0.8
74.26408	0.4
81.07060	0.6
106.82983	0.5
107.08645	0.6
109.02921	0.7
136.56702	0.4
187.14799	0.5
189.06052	0.8
239.16144	1.1
271.04129	0.5
289.05322	0.8
300.92023	0.5
313.16278	2.2
350.39383	0.6
355.17484	4.2
399.16275	4.2
401.21274	3.5
443.22537	19.6
469.29520	0.8
487.21552	100.0
488.21585	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	487.2152
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05502	0.9
56.96523	0.4
67.05503	0.4
69.03420	1.0
69.07058	0.7
70.06581	1.3
71.04993	0.9
71.10387	0.8
72.08163	0.6
76.62152	0.4
79.05492	0.8
81.03408	1.0
81.07031	1.1
85.02908	0.9
85.06548	0.5
86.09708	2.3
93.07053	1.2
95.08610	1.1
97.10163	0.5
105.07024	1.1
107.08591	1.0
109.06506	0.4
109.10147	1.1
119.08609	0.8
121.10120	0.7
123.08086	0.6
123.11736	0.5
127.03918	0.6
133.02855	0.6
133.10165	0.4
135.11658	0.9
137.06015	0.6
145.10162	0.5
147.11652	0.6
149.13347	0.4
159.11746	0.4
165.76068	0.4
177.05513	0.7
229.15581	0.4
239.69044	0.4
269.12350	0.5
298.59238	0.4
325.16296	1.2
333.07983	1.3
335.09506	8.9
361.02332	0.9
446.45114	0.5
487.21555	100.0
488.21829	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	487.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
55.05500	4.4
67.05489	9.7
69.03419	7.6
69.07072	14.2
69.39517	2.5
71.05001	2.7
73.06567	29.3
73.33177	2.2
79.05486	7.9
81.03405	10.9
81.07059	12.2
83.08605	2.7
87.04463	6.4
87.09930	2.5
91.05487	24.7
93.07029	9.8
95.04960	8.8
95.08602	10.6
98.21468	7.2
99.04464	19.0
99.08082	7.5
105.07034	20.1
107.08589	8.6
108.87731	2.5
109.06486	5.0
109.10146	9.3
110.63413	2.7
115.05444	5.4
117.07003	8.1
119.08566	19.8
121.06519	11.3
121.10139	6.4
123.08029	3.2
125.06001	3.7
128.06198	10.5
129.07011	13.2
130.07817	3.3
131.08534	11.3
133.06506	4.5
133.10126	6.5
134.07227	2.8
135.04379	2.6
135.08046	6.9
136.08832	8.0
137.09691	2.8
141.06984	8.9
142.07747	7.9
143.08546	19.8
145.06476	7.7
145.10130	12.3
147.08067	6.6
147.11650	11.7
148.08786	3.4
149.02280	2.7
149.09587	3.7
151.03915	27.2
155.08548	12.4
156.09332	9.9
157.06485	2.9
157.10103	7.7
158.07222	3.2
159.08096	6.0
159.11711	3.6
161.02316	7.4
161.06015	4.6
161.09657	5.3
163.07629	2.4
165.07121	3.6
167.08516	6.2
169.06491	7.3
169.10144	8.6
171.11705	23.0
173.09645	12.3
177.09178	2.9
179.08504	3.2
181.10115	4.6
182.10924	2.6
183.08090	9.4
183.11725	5.0
184.08783	12.2
185.05984	3.6
185.09604	8.6
185.13223	9.6
187.03917	5.0
187.11278	3.2
189.05389	3.0
189.09119	4.1
189.12729	2.3
195.08051	4.7
195.11688	3.9
197.09639	9.4
201.09109	25.0
203.07054	100.0
203.14444	11.3
203.17990	3.5
205.12251	2.4
205.71082	2.7
209.13161	2.4
210.10338	2.7
211.11179	5.7
213.12732	6.4
215.10818	3.6
216.11456	38.1
223.07500	3.7
225.09232	3.4
225.16312	2.9
227.07027	3.6
227.10674	3.4
229.08713	4.0
237.09323	2.7
241.08585	5.3
243.10213	33.7
245.15381	8.1
253.08676	3.4
253.15889	60.5
267.10333	11.5
268.10773	2.6
269.08124	12.2
285.11197	18.9
285.18475	46.1
387.15817	6.8
418.17688	15.5
428.16226	2.4
455.22168	20.0
487.17502	4.6
487.24591	9.3
487.36130	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01870	1.6
57.03431	2.9
61.02936	1.3
64.77052	1.1
68.43721	1.0
69.03432	14.6
69.42966	5.6
69.43401	3.8
70.06587	2.2
71.04987	4.8
72.08163	2.2
81.03033	1.6
81.03426	15.6
81.07051	1.3
84.08158	1.5
85.02902	3.6
85.10961	1.0
86.09739	1.7
91.05502	1.2
93.98042	1.0
95.04952	1.1
98.97595	8.1
99.04485	6.6
109.02910	1.3
116.98592	2.9
117.05467	2.0
118.06555	4.1
121.10126	1.4
133.33005	1.2
145.07607	3.6
147.09163	6.7
149.09657	1.4
149.10747	1.2
158.99698	4.2
159.46837	1.2
159.48311	1.1
161.84303	1.2
163.08626	1.4
173.07103	12.8
175.08643	6.2
177.00729	2.4
191.08168	100.0
193.04930	2.3
199.39748	1.2
233.09161	2.0
247.17029	1.2
263.16364	2.2
289.11920	2.0
307.12909	31.3
325.13977	70.1
326.14404	2.3
383.13077	1.2
401.14844	3.1
487.11539	1.5
487.17267	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	487.145
Annotation	Hymexelsin
Peak:m/z	Relative Intensity
50.49561	0.2
57.03422	0.7
67.01862	0.6
67.05502	0.3
68.99770	0.2
69.03128	0.1
69.03433	1.9
69.29262	1.3
71.04986	0.2
79.05502	0.2
81.03413	0.2
81.07068	0.3
83.04982	0.3
85.02911	1.9
86.09688	0.2
87.04462	0.7
91.05473	0.3
93.07022	0.2
95.04957	0.5
95.08625	0.2
97.02905	1.2
98.97562	0.5
101.06032	0.3
105.07043	0.3
107.08597	0.2
109.02897	0.2
109.10194	0.2
115.03919	0.5
116.98605	0.2
119.08604	0.3
120.08060	0.2
121.10177	0.1
125.06002	0.5
127.03903	0.5
133.04967	0.6
137.09644	0.2
137.10722	0.2
138.09239	0.2
145.07626	0.3
145.10240	0.2
147.04416	0.4
147.08034	0.2
151.03902	0.5
153.01884	0.3
156.10178	0.4
163.11232	0.3
169.04947	0.3
175.03894	0.3
177.05519	0.2
193.04974	100.0
194.05275	1.4
205.04967	0.3
207.10133	0.2
235.06084	0.3
247.16927	0.5
256.45407	0.2
263.16464	0.6
289.17972	0.3
292.71078	0.2
307.18979	0.3
325.20279	0.3
337.06903	0.3
355.10544	5.7
367.08011	0.4
381.09753	0.2
388.18561	0.5
409.09131	0.6
417.44861	0.2
423.10965	0.2
427.16577	0.2
433.09375	0.2
439.10345	0.2
451.10385	0.3
469.11215	0.3
487.11948	0.5
487.17612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99636	1.0
55.05510	3.7
57.07082	17.6
61.63020	1.3
67.05505	4.8
69.07067	6.8
69.84821	1.0
70.62674	3.4
71.08640	12.1
79.05481	1.9
81.07057	5.9
83.08609	4.6
85.10197	5.4
85.65501	1.0
87.04471	6.9
91.05471	3.0
93.07087	1.7
95.08604	6.4
97.10161	3.2
98.21530	1.2
105.07068	1.8
107.08574	6.5
109.10148	4.8
111.11758	1.6
117.07021	1.5
119.08578	2.7
119.17612	1.1
121.06514	1.2
121.10130	3.5
122.07271	1.4
123.08080	1.1
123.11693	1.8
131.08575	2.4
133.10107	1.4
135.08052	3.6
135.11723	2.2
137.09615	7.5
139.07596	1.1
145.10129	2.6
149.09612	12.9
151.07567	1.4
154.96907	1.0
159.11723	2.1
161.09653	1.6
163.07578	1.4
163.11194	22.2
164.08345	2.0
165.09120	100.0
166.09511	1.3
173.09663	1.8
173.13249	2.6
175.11145	5.2
176.08292	2.4
177.09117	12.2
177.12711	3.0
179.10641	1.8
180.10184	1.9
186.10295	1.2
187.11215	3.2
189.12784	2.2
191.10670	12.6
191.14334	1.0
201.12706	2.1
203.10590	1.7
203.14365	2.0
204.11526	1.7
205.12268	11.8
207.60751	1.1
215.14259	1.3
219.13773	6.5
233.15388	2.8
241.85878	1.1
247.17084	1.5
265.85007	1.0
289.21817	1.1
303.23007	1.3
307.21835	1.0
317.24615	1.7
401.34204	2.4
411.35983	2.6
429.37305	72.5
430.37848	5.9
486.39551	1.7
486.47839	2.8
489.45978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85033	1.1
53.60479	1.2
56.96572	30.6
57.03439	2.8
61.02911	1.4
66.88418	1.2
69.03437	8.9
69.85117	7.7
70.17628	1.3
71.04986	1.4
73.02920	1.9
74.06100	1.8
74.97626	1.7
81.03416	2.7
83.04948	1.6
84.96049	5.9
85.02912	13.6
85.06506	1.3
86.03220	1.7
87.04474	2.2
91.73065	1.4
97.02892	9.2
98.21401	1.8
98.97591	64.6
100.99151	6.7
101.00850	1.9
101.06062	1.8
102.05547	3.0
110.09725	1.5
110.97570	13.8
112.99137	48.6
116.98628	26.4
119.00194	4.5
119.01934	2.6
124.99158	3.3
127.00665	2.2
127.03930	4.6
128.98605	11.6
131.00186	51.7
131.01770	1.9
133.01686	2.0
133.03473	2.9
134.99657	5.0
140.98608	2.5
143.00136	9.0
145.01730	3.6
145.04941	3.9
146.99672	6.7
147.04417	2.3
149.01236	20.0
151.00636	1.4
152.98608	3.9
155.00172	2.4
157.01692	1.8
158.99641	16.6
159.04997	1.8
161.01247	7.2
163.02759	5.0
163.03969	3.1
167.02286	1.9
169.04459	2.6
170.99687	5.7
173.01250	16.1
173.02858	2.3
174.11278	22.1
175.02769	7.9
177.00722	13.0
178.04924	7.5
179.02116	2.1
180.46133	1.7
185.01254	2.2
187.02791	2.4
189.00705	4.5
191.02298	11.0
193.03867	17.5
200.99120	1.4
201.00706	7.9
207.01715	1.6
207.03531	2.0
209.01266	2.1
210.97237	1.6
211.04843	7.7
213.04257	1.4
217.03893	2.3
219.01776	43.7
219.07152	3.9
221.03136	1.8
221.05074	3.3
228.46680	1.4
231.07152	3.1
232.05247	1.6
233.03351	4.8
235.04883	3.7
237.02823	48.3
237.05118	2.8
242.03429	2.0
245.05112	2.9
247.04753	1.6
249.06230	1.8
250.07072	2.2
251.04378	4.1
255.03790	3.0
260.04440	1.7
261.02869	2.3
263.04337	3.8
269.05591	6.6
275.04294	9.1
277.05945	4.7
279.03873	2.3
281.05399	3.9
289.06049	1.4
293.05450	20.1
295.06955	6.6
307.07083	1.7
311.06589	13.9
314.17111	4.3
321.10422	20.3
323.06454	1.6
337.08017	100.0
338.08560	3.3
339.03818	1.8
339.11371	2.6
347.10690	1.5
353.04980	2.6
355.09131	71.3
356.09506	1.8
367.09247	2.7
389.07629	1.9
391.02670	1.8
427.11169	4.8
445.17325	1.9
469.12479	17.5
487.18555	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	486.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
53.18182	0.5
55.01872	0.6
57.03440	8.3
61.02931	1.4
64.54776	0.5
67.05502	1.2
69.03429	12.7
70.06595	2.1
70.15029	2.2
70.15390	0.7
71.01334	0.6
71.05000	0.8
72.08168	2.0
73.02917	9.4
79.05515	0.7
80.95078	0.5
81.03429	1.4
81.07073	0.8
83.04960	0.7
85.02900	12.6
86.09705	0.7
87.04477	5.9
91.05492	1.8
93.07030	0.7
94.06570	3.0
95.04982	0.7
96.08164	1.8
97.02882	7.0
98.97625	1.0
99.04462	0.9
109.02865	1.0
109.33469	0.5
114.09132	0.8
115.03944	4.1
118.06529	4.2
122.06020	4.0
124.07608	0.9
126.09153	0.9
127.03919	1.5
127.57510	0.5
128.10718	1.4
133.04985	1.6
138.05513	1.1
140.07048	0.7
142.08623	1.0
145.04985	0.7
146.06009	11.3
148.07541	0.6
150.05536	0.7
152.07045	0.6
157.08662	0.7
160.09697	1.5
164.07024	2.7
167.07068	0.8
174.05507	89.9
175.06018	1.8
176.07097	1.5
192.06555	44.9
205.04735	0.8
206.05042	0.9
207.02829	1.3
220.13353	0.7
234.07617	0.5
265.62061	0.6
300.13113	0.7
336.10443	1.2
354.11841	100.0
355.12131	2.4
486.15994	20.7
486.23059	1.0
487.17740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
67.05485	5.2
69.07067	6.3
69.23341	11.2
69.23772	7.7
79.05520	3.9
79.66914	2.0
81.07066	11.5
91.05476	6.3
93.07033	7.9
95.04983	4.1
95.08602	13.9
105.07039	11.4
107.08595	4.5
109.10168	4.2
119.04939	3.1
119.08595	8.5
121.06528	2.5
121.10147	2.2
131.08565	6.0
133.10136	2.2
137.13286	9.7
139.61877	2.0
143.08559	5.8
145.10150	11.1
147.11659	2.3
150.97554	1.9
151.03912	100.0
157.10083	2.4
159.11670	4.8
171.11739	4.1
185.13223	2.3
187.11186	9.6
191.07060	7.0
193.05086	2.5
217.12157	3.1
227.17963	8.6
229.57790	2.0
251.07053	3.4
255.17355	17.2
267.10202	2.4
273.18649	3.4
337.14426	9.9
355.14999	2.2
377.20877	2.7
405.20389	16.0
406.37277	2.2
421.51083	1.9
423.21844	2.4
486.19305	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	485.9598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	9.3
71.21069	0.7
71.21396	0.5
71.95267	2.7
98.97591	71.7
99.31246	0.4
99.97937	0.6
116.98629	38.2
117.98995	0.8
130.93324	1.2
134.99667	11.8
140.00212	1.3
149.36548	0.5
172.94351	4.0
190.95451	3.5
208.96379	0.9
214.95361	3.0
232.96455	6.9
234.96774	0.5
238.92380	0.5
250.97552	2.7
256.96442	18.1
257.96909	1.0
258.97122	0.5
258.99796	3.3
259.96811	0.7
259.99890	0.7
274.97528	100.0
275.97876	4.7
276.97641	1.5
277.00861	2.8
277.97665	0.5
278.96744	0.5
282.99796	0.6
288.92212	0.9
288.98984	0.5
289.95154	0.5
292.98581	46.1
293.98920	2.4
297.98999	3.0
298.97708	0.8
299.97897	1.2
300.97571	1.5
301.00925	0.5
301.97745	1.3
304.01285	0.6
316.00201	0.7
316.98914	0.6
317.98984	1.4
318.98669	2.0
319.98779	1.5
358.99957	0.6
398.97736	2.4
399.97610	0.6
414.95392	17.3
415.95770	0.7
416.98706	3.0
417.98822	0.5
432.96451	16.5
433.96692	1.2
443.98688	5.5
450.97363	1.4
455.98099	0.8
462.00034	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	485.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.5
55.05505	3.4
57.07067	2.1
65.03934	2.8
65.08530	1.6
67.05518	12.8
69.06767	1.6
69.07077	17.1
69.33691	15.8
73.16934	1.6
79.05494	7.3
81.03387	1.8
81.07065	27.7
83.08594	2.9
83.90308	1.7
91.05487	100.0
93.07056	26.0
95.04967	4.3
95.08620	13.2
103.05469	1.9
105.07036	49.1
107.04955	2.8
107.08599	20.1
109.02878	3.1
109.06535	2.6
109.10166	13.9
112.57619	2.1
115.05457	5.0
117.07012	8.4
119.08587	5.2
121.06510	5.6
121.10132	6.0
123.04411	7.3
123.08069	2.1
123.11717	6.0
126.04145	1.6
129.07021	5.2
131.08566	8.3
133.10176	11.1
135.04359	2.0
135.11684	10.6
137.05980	4.1
137.13213	1.9
141.07001	3.0
143.08534	4.5
145.10150	6.5
149.05960	3.2
155.08546	2.9
158.07344	2.7
159.08061	2.2
159.11606	2.1
161.06000	3.2
165.06941	2.2
167.08623	3.1
169.10033	2.4
172.08646	1.8
173.06032	2.4
175.07512	3.5
178.07748	3.9
179.08521	3.7
182.10764	1.9
187.07536	7.9
189.09129	2.3
193.10139	2.5
195.11691	2.6
196.12015	2.5
201.09109	3.7
201.16357	3.2
203.07051	6.9
204.07373	2.1
209.09743	3.0
209.13295	2.2
211.11264	2.4
213.08965	3.2
213.12732	2.4
215.10591	2.0
223.11172	2.2
227.10683	8.0
237.09096	2.9
237.12769	4.0
239.10686	35.2
239.14285	3.9
241.12233	5.4
253.12373	2.4
257.15311	2.7
261.12744	3.6
263.10797	2.2
265.12183	2.3
267.10309	2.7
267.13794	4.5
277.12259	6.4
277.15616	2.0
279.13892	9.1
281.15356	3.8
291.13873	13.0
293.15320	6.6
305.15363	17.9
319.17001	2.3
343.20538	3.5
358.32605	2.2
361.21622	70.9
362.22311	2.5
363.23328	2.7
485.22351	10.5
485.33856	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	485.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73805	1.7
51.65258	1.7
55.01875	1.9
55.05519	4.9
57.03437	2.9
57.07113	2.0
61.02931	1.9
67.05512	19.2
69.03432	13.7
69.07072	8.3
70.06584	2.7
71.05001	36.1
71.08633	2.9
71.34994	1.8
71.58171	2.4
72.08162	3.2
73.02917	4.0
79.05502	4.9
81.03415	4.6
81.07069	60.2
81.40495	1.8
83.04992	4.2
84.08155	2.1
85.02918	14.6
85.06547	31.5
86.09690	3.3
87.04458	2.7
91.05499	6.4
93.07051	3.8
95.04964	3.2
95.08612	52.4
97.02885	9.8
98.97572	4.0
99.08112	5.3
100.07620	2.1
105.07016	2.6
107.08593	3.0
109.02913	3.3
109.10165	6.8
111.81300	1.9
115.03950	4.0
118.06570	2.3
120.94257	1.6
124.07568	2.0
127.03904	6.7
136.07637	2.9
137.09697	1.9
137.13287	12.8
142.08669	2.7
145.02922	2.5
146.06004	5.6
149.09650	2.5
155.10745	2.4
155.14320	100.0
156.11072	2.1
156.14597	2.9
157.05078	2.3
173.10170	1.7
173.15387	49.5
177.05450	2.3
179.03906	2.9
191.14670	3.4
191.16432	48.6
197.04944	4.1
215.05983	2.5
219.01784	2.5
237.02861	3.1
241.55244	1.7
312.55289	1.9
323.12439	3.1
365.18329	2.4
372.14261	1.8
404.33127	2.5
425.14905	15.0
467.22458	2.6
485.15985	6.5
485.22095	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	485.2
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
55.05536	0.8
67.05503	1.7
69.03430	1.4
69.07058	0.9
71.56302	1.0
79.05497	0.7
81.03429	0.9
81.07048	1.9
82.01514	0.5
85.02918	1.8
91.05477	0.9
93.07059	1.2
95.08614	1.7
97.02884	0.7
98.97589	1.5
105.07014	1.7
107.08580	1.1
109.02892	0.7
109.10149	1.3
116.98668	0.6
117.07050	0.5
119.01978	0.6
119.08575	1.7
121.10178	1.6
123.11687	0.6
127.03822	0.6
131.08582	1.1
133.10152	0.8
147.04378	0.6
147.11670	0.8
158.99716	0.8
159.11723	0.7
168.71606	0.5
169.03511	0.5
170.70140	0.6
174.11311	1.0
177.08458	0.7
185.04311	0.9
191.10580	0.5
191.14186	0.5
201.16385	0.8
215.14410	0.6
219.17531	1.3
220.72433	0.6
227.05135	1.0
229.07001	0.7
237.08835	0.7
237.15123	0.6
237.18587	0.5
271.04178	1.2
286.82458	0.7
317.08469	39.1
335.09384	0.7
344.25836	0.6
399.13861	0.7
441.15436	5.3
485.14020	15.1
485.20044	100.0
486.20392	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
54.28312	0.5
55.01870	1.1
55.05510	3.8
57.03439	1.3
57.07062	1.1
65.03912	0.6
67.05511	8.4
69.03433	17.6
69.06776	0.5
69.07071	6.3
71.04971	1.3
71.10305	0.6
71.55945	0.5
79.05495	3.5
81.03429	3.7
81.07063	10.3
83.04968	1.8
83.08612	1.7
85.02428	0.8
85.02911	10.0
85.06543	4.8
87.00824	3.8
87.04462	0.6
90.12823	0.5
91.05008	0.6
91.05495	5.0
93.07049	26.9
94.07348	0.6
95.04974	1.8
95.08611	8.4
97.02908	3.2
97.06544	2.6
97.10166	1.1
99.04455	1.1
105.01881	5.4
105.07034	6.2
107.04922	1.7
107.08601	17.7
109.02884	5.3
109.06544	4.7
109.10160	27.7
111.08080	9.7
111.81713	0.6
113.09684	0.6
115.05505	0.6
117.06995	1.6
119.08584	6.7
120.17054	0.5
121.06487	4.4
121.10145	17.4
122.07259	0.7
123.08083	6.6
123.11713	7.1
125.09595	1.6
127.03918	8.9
129.01765	0.6
131.08559	1.8
133.10109	3.3
135.08070	11.9
135.11703	32.9
137.09625	8.4
139.11104	0.6
143.08557	0.9
145.02817	0.7
145.04994	3.3
145.10139	6.3
146.63368	0.5
147.11652	1.9
149.09612	2.3
149.13269	3.7
157.10126	0.8
159.02917	1.9
159.11696	6.4
161.09605	1.7
161.13283	5.9
163.11194	15.2
173.09758	0.5
173.13252	1.1
175.14786	1.8
176.11955	1.6
177.12749	1.5
177.16397	8.1
189.03929	0.6
191.17975	2.3
201.16379	7.1
213.03960	0.8
219.17448	100.0
220.17802	2.0
231.04918	3.2
237.14804	1.4
237.18495	1.7
249.06061	1.9
263.20276	0.5
467.22394	0.6
485.20856	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01854	1.0
55.05518	0.9
56.05037	0.8
57.03440	10.6
59.05006	1.1
59.83833	0.7
61.02916	2.5
66.55211	0.6
67.05493	2.5
69.03433	13.2
69.07063	4.2
70.06585	0.9
70.11978	2.9
71.04994	0.9
71.08633	46.3
73.02917	16.3
75.02122	0.7
81.03428	2.2
81.07050	2.2
83.05009	1.1
85.02911	16.3
87.00815	0.9
87.04469	3.3
91.05483	1.0
91.29723	0.7
93.07056	1.9
95.04979	0.9
97.02896	16.3
97.06511	1.0
97.10138	0.8
98.97598	0.8
99.08096	100.0
100.08495	0.8
102.05553	3.1
105.07043	1.6
107.08620	0.9
109.02904	1.4
109.10162	3.1
115.03938	12.8
119.08554	0.9
127.03906	4.0
129.12764	10.8
133.04968	5.1
133.10150	1.0
144.26512	0.9
145.04955	4.4
155.14319	1.8
163.11237	1.1
168.78748	0.8
173.15382	71.3
177.05531	0.7
181.86723	0.7
218.16417	0.9
219.17470	0.9
237.89160	0.8
241.07114	1.4
259.07999	0.8
276.75394	0.8
448.30432	0.7
466.31897	1.4
484.21912	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	484.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.6
56.04393	4.3
57.07073	17.4
60.04526	3.8
67.05481	12.1
69.07060	21.9
69.43321	28.3
70.06598	23.0
71.08636	8.5
79.05476	9.6
81.07066	28.2
88.07643	20.9
89.06042	4.5
91.05466	10.8
93.07057	26.4
94.06555	4.8
95.08619	17.9
96.08150	4.5
102.09171	14.0
105.07032	10.7
107.08611	19.6
108.08131	6.9
109.10162	14.2
109.19150	3.5
119.08591	10.7
120.07978	3.2
121.10149	7.8
123.11690	6.3
133.10109	4.5
135.11694	9.7
145.10121	6.7
147.11673	5.2
149.13284	5.2
150.12769	7.4
152.14337	5.0
159.11679	5.3
200.20178	20.3
216.77710	3.8
220.20569	3.7
223.53717	3.4
228.23285	28.6
283.26370	38.8
311.29398	19.3
340.29898	5.5
384.32462	5.6
438.31479	4.7
466.40543	52.5
484.47290	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	484.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43920	0.8
55.01868	3.6
55.05505	1.7
57.03439	4.9
59.04989	1.9
60.16504	0.9
61.02918	3.8
67.05508	1.4
69.03434	12.8
69.07077	4.7
71.01345	1.4
71.04992	1.4
71.08636	44.3
73.02926	19.5
81.03419	2.6
81.07062	2.0
82.21906	1.0
85.02910	27.4
91.03960	0.8
91.05479	1.1
93.07056	0.9
95.08592	2.0
97.02900	17.3
98.21601	1.8
99.04446	1.5
99.08099	100.0
102.05542	2.1
103.03951	1.0
107.08570	0.9
109.02874	2.7
109.10160	2.8
115.03937	8.4
123.79755	0.9
125.09792	1.0
127.03922	7.7
129.12762	9.7
133.04950	7.4
145.04967	9.2
155.14326	2.6
163.06023	2.9
173.15385	68.8
174.15802	1.0
177.05580	0.9
181.04910	1.0
184.07307	1.8
191.00156	1.0
191.14156	0.9
192.98087	0.9
223.05978	1.3
241.07053	2.0
259.08087	1.2
466.31564	1.7
484.22290	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	484.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05515	1.5
57.03427	0.6
59.13519	0.4
67.04242	0.4
69.03423	1.2
69.07065	0.5
69.99992	0.8
70.00372	1.0
70.06587	2.0
71.04980	0.5
72.08154	0.5
73.02917	0.7
74.02444	0.8
81.03425	4.6
82.06586	23.3
85.02909	2.4
89.03919	6.7
91.05476	0.6
93.07041	0.4
97.02901	0.4
98.21482	0.5
99.04454	0.6
100.07626	25.7
102.05518	0.4
109.02874	1.5
109.10175	0.7
114.09194	1.3
117.03387	21.2
128.07082	3.9
129.09160	0.4
130.70621	0.3
134.03632	1.2
135.04367	0.5
144.06496	0.4
145.02853	53.6
146.08130	61.4
147.08368	0.6
149.06001	6.3
155.10632	0.8
159.32645	0.4
162.03284	0.4
163.03929	0.5
169.13406	0.8
173.11746	2.2
177.05476	100.0
178.05820	1.4
186.05553	0.4
188.09203	1.4
192.10170	1.0
195.06531	1.1
197.12917	0.6
208.09795	0.6
210.11273	0.4
254.10271	1.4
308.13403	1.1
321.09698	4.1
339.10675	3.2
448.16092	0.8
466.16977	0.7
484.18613	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	483.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.7
55.46183	0.5
66.95910	0.5
67.05490	0.7
69.07047	1.2
71.58073	0.8
79.05463	0.8
81.07030	2.0
89.06026	3.0
91.05455	1.7
93.07017	1.1
95.08574	1.6
96.56685	0.6
105.07013	0.9
107.08589	1.4
109.10143	1.1
119.08558	1.8
133.08586	1.6
133.10130	0.8
135.11739	0.6
135.56609	0.5
139.26437	0.5
145.10121	0.7
159.11688	1.2
169.10176	0.6
171.11716	0.6
173.13110	0.7
203.07080	1.0
205.74954	0.7
269.08057	0.8
272.11063	0.5
279.06305	100.0
280.06717	2.4
283.17432	1.2
284.17734	1.0
320.08936	2.6
483.25122	99.6
483.37036	4.7
484.25494	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	483.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.9
55.01858	3.6
55.05511	14.8
56.96569	2.3
57.03430	4.2
57.07084	3.0
59.06467	2.3
63.38314	2.2
66.90131	2.1
67.05169	2.8
67.05505	34.8
68.27854	2.3
69.03424	3.8
69.07061	16.7
70.96120	2.3
71.56214	2.5
71.56573	2.6
79.05498	35.0
81.03405	4.4
81.07064	58.5
83.04981	3.3
83.08615	8.0
85.02892	4.8
89.62795	2.2
91.05496	34.3
93.07050	61.9
95.04964	8.0
95.08614	100.0
96.56924	2.4
97.06519	7.8
97.10173	3.1
99.65598	2.2
105.07036	66.4
106.07367	2.8
107.08599	62.4
109.06514	6.3
109.10162	46.1
109.24222	2.5
110.03646	2.3
111.04463	3.5
111.08086	27.7
117.07023	11.4
119.08583	63.4
121.06491	4.1
121.10152	42.7
123.11703	17.8
125.05982	5.6
125.09655	2.7
127.03888	2.2
128.06216	4.2
128.25484	2.8
129.07011	7.1
131.04800	2.9
131.08582	38.4
133.06468	3.3
133.10141	46.8
135.11696	23.6
137.05972	5.7
137.13170	3.5
139.11150	2.8
141.06995	2.9
142.07800	5.1
143.08588	24.9
144.09282	2.1
145.06468	2.6
145.10124	54.3
145.11273	3.0
147.08051	5.2
147.11696	40.7
149.06015	11.5
149.09657	3.1
149.13257	27.4
151.07590	5.5
153.12762	3.3
155.08575	4.5
156.09364	9.5
157.10147	28.5
158.10919	4.5
159.11678	43.1
161.09544	2.6
161.13261	29.5
163.07559	3.8
163.14836	8.2
165.09131	3.4
165.12814	3.9
168.06577	2.3
169.10164	7.5
171.11700	35.0
173.09689	3.3
173.13269	27.2
174.04924	2.2
175.07568	2.7
175.11197	3.8
175.14801	15.1
177.09021	6.7
177.16374	9.9
178.60989	2.4
179.10722	3.4
181.10101	5.7
183.11699	5.7
185.13257	17.2
187.14857	26.5
189.09097	4.7
189.12706	2.8
189.16347	17.3
191.10684	9.6
191.14322	2.4
193.12199	5.6
195.11737	4.7
197.13309	7.9
199.11223	4.8
199.14795	11.5
201.12672	7.6
201.16397	21.5
203.10709	5.9
203.14223	4.4
203.17999	7.3
205.12244	6.5
205.15871	8.4
207.17537	5.6
209.13350	4.0
211.14868	5.9
213.12849	3.7
213.16412	9.3
215.14331	5.7
215.18025	5.4
217.12198	12.7
217.15913	9.1
217.19556	3.2
219.13858	21.6
219.17451	9.8
225.16411	3.7
227.17813	4.1
229.12253	3.1
229.19481	4.5
231.13786	16.4
233.15349	12.8
237.11182	2.7
241.16011	2.5
243.13853	5.2
245.15369	6.2
249.11226	4.7
255.17357	3.0
257.15326	2.6
259.16803	3.3
263.12756	3.8
265.14352	2.5
271.16995	3.4
277.14426	11.3
285.07446	13.5
285.18506	4.3
286.07916	16.2
289.14383	16.6
291.16049	3.2
301.14169	5.5
303.15814	3.7
315.15826	7.6
316.08679	4.1
317.17407	7.1
329.17599	4.9
343.19012	4.7
381.27771	5.5
391.29877	4.1
403.30103	3.8
419.29483	5.6
421.31131	15.1
425.26611	11.6
437.30557	3.3
439.22968	5.6
439.32071	5.6
453.29898	10.2
465.30060	29.6
483.21524	21.4
483.31277	32.6
484.31732	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	483.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
54.34586	0.7
55.01865	3.0
55.05500	3.3
57.07059	1.2
57.61501	0.8
63.17019	0.8
65.03940	1.4
67.05505	3.4
69.03434	15.0
69.07059	1.9
71.08630	1.4
71.18927	1.3
79.05498	4.3
81.03430	9.0
81.07079	4.5
83.04986	2.9
83.08624	0.9
85.02905	2.7
91.05484	7.2
93.07052	1.8
95.01354	3.9
95.04966	1.9
95.08606	2.9
97.02900	1.3
97.10189	1.8
105.07040	8.7
107.04977	2.3
107.08600	2.2
109.06490	2.1
111.04436	1.0
115.05476	2.2
117.07043	3.0
119.08608	3.9
121.02872	1.2
121.06457	0.8
125.09626	0.8
128.06212	6.1
129.07016	8.7
130.07741	1.2
131.08583	4.6
133.02858	1.2
133.06551	2.0
133.10135	1.7
135.04430	1.2
141.07018	4.9
142.07813	6.4
143.08577	13.1
144.05817	0.8
145.06493	5.0
145.10152	3.8
147.04390	3.9
147.08093	3.3
149.02354	3.8
149.05896	0.9
151.03964	1.5
153.07007	3.6
154.07790	4.5
155.08560	11.4
156.09340	5.0
157.06538	3.5
157.10149	11.6
158.07277	1.2
159.08058	2.2
159.11617	1.4
160.05278	1.0
161.02318	7.1
161.06000	4.9
163.03905	1.3
165.07013	9.8
166.07874	3.8
167.03452	1.2
167.08583	7.6
168.09383	6.4
169.06523	1.8
169.10135	13.5
170.10858	0.8
171.08072	4.9
171.11674	7.9
173.05992	2.2
173.09677	2.0
175.03912	1.8
175.07620	2.1
178.07814	6.2
179.08553	8.4
180.09326	6.9
181.06502	2.5
181.10133	12.8
182.07318	1.9
182.10919	3.9
183.04514	0.8
183.08112	5.4
183.11702	18.6
184.08876	1.3
184.12401	0.8
185.05991	5.5
185.09621	1.6
185.13295	4.5
187.03949	4.0
187.07549	1.3
188.04861	1.1
189.05464	2.6
189.09137	2.1
189.11113	0.8
191.08565	2.9
192.09363	2.7
193.10135	10.7
194.10974	3.5
195.08054	4.2
195.11699	12.8
196.08846	2.4
196.12405	1.0
197.09633	11.7
197.13234	3.7
198.10469	1.3
199.07565	3.5
199.11172	2.1
201.05505	1.1
201.09123	2.1
202.07755	1.0
203.07037	100.0
204.07440	1.2
204.09361	1.0
205.10158	5.1
206.07234	1.7
206.10918	4.0
207.08171	1.0
207.11766	3.8
208.08809	1.9
209.07787	0.9
209.09512	3.9
209.13214	4.1
211.07600	2.0
211.11221	6.2
211.14815	1.8
212.08281	1.2
213.09125	2.6
213.12668	4.6
215.08759	1.3
215.10692	1.6
217.10193	1.0
218.10957	1.5
219.11749	3.3
220.12457	4.5
221.09702	6.8
221.13174	5.6
222.10384	1.5
223.11206	9.0
224.11931	1.8
225.09100	5.1
225.12723	1.8
225.16399	2.5
226.09959	1.2
227.06943	0.9
229.08556	1.6
230.10938	1.8
233.09747	1.1
233.13255	1.6
234.10397	0.9
235.11159	1.0
235.14801	5.5
237.09142	1.4
237.12727	6.2
238.13593	1.0
239.10709	6.3
239.14339	16.2
241.08548	2.0
241.12244	26.4
241.14569	1.5
243.10182	49.3
245.13339	1.8
248.11971	1.8
249.12827	2.8
251.14340	1.3
253.12178	1.4
253.12918	1.4
253.15891	23.1
255.10271	3.0
257.08188	1.7
259.09744	1.7
261.12787	1.4
263.14319	15.6
264.15103	6.3
269.08292	1.7
271.09552	5.0
279.13907	2.3
281.15378	73.0
282.15747	1.4
289.12234	1.8
299.09146	9.1
307.13367	2.1
437.21512	2.1
439.23007	1.0
441.20868	1.5
447.19815	1.9
455.22302	2.6
465.20743	10.8
483.21790	30.1
483.36868	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91600	1.1
55.01868	2.6
55.05520	3.3
67.05478	2.7
69.03423	8.0
69.07051	3.4
69.30580	10.4
72.04521	4.3
72.64999	1.4
79.05495	5.9
81.03421	13.9
81.07058	7.0
83.04982	3.4
89.06030	10.9
91.05476	9.5
93.07041	4.0
95.04991	3.4
95.08619	2.5
103.05487	2.6
105.07041	9.1
107.04953	3.6
107.08596	2.1
109.06521	5.2
109.10100	1.4
112.17826	1.3
115.05462	4.6
117.07040	3.8
119.04978	1.6
119.08576	4.7
128.06192	11.2
129.07028	11.5
131.04825	2.1
131.08566	6.1
133.06465	2.3
133.08606	7.2
135.04437	2.1
141.06987	8.4
142.07808	11.2
143.08572	29.3
144.05663	1.2
145.06493	9.7
145.10123	4.9
147.04414	5.1
147.08032	5.2
149.02307	4.0
151.03912	2.2
152.06117	1.5
153.06970	4.5
154.07785	3.1
155.08542	12.5
156.09303	7.4
157.06505	5.0
157.10156	11.0
158.07315	2.4
159.08005	2.1
160.05276	1.9
161.02321	9.0
161.06004	6.5
163.03938	2.8
165.06996	10.1
166.07784	3.7
167.03404	2.7
167.08565	14.2
167.81979	1.3
168.09433	3.3
169.06430	1.8
169.10120	8.3
170.10899	6.1
171.08034	5.7
171.11707	11.2
173.06000	4.8
173.09679	2.2
175.03842	1.5
175.07555	4.0
177.11226	1.9
178.07767	9.5
179.08527	10.1
180.09351	5.8
181.06509	5.1
181.10152	6.5
182.07332	1.9
182.10933	1.9
183.08086	5.2
183.11705	9.9
185.06018	6.2
185.09631	2.9
185.13266	16.9
187.03932	4.3
187.07594	3.2
189.05473	5.8
189.09027	1.7
191.08450	2.5
192.09306	2.4
193.10133	11.1
194.10999	3.4
195.08044	10.2
195.11604	6.7
196.08934	3.0
196.12491	1.8
197.09586	7.0
197.13322	3.9
198.10361	2.2
199.07596	4.5
199.11237	4.0
200.04585	1.3
201.05476	2.6
201.09161	3.3
203.07037	100.0
205.04904	2.0
205.10104	2.7
206.10931	3.4
207.08076	2.8
207.11655	3.6
208.08859	3.5
209.09579	7.9
209.13246	5.3
210.10390	6.6
211.07529	4.5
211.11095	7.7
212.08267	2.5
213.05496	1.7
213.09091	4.2
213.12738	13.4
215.10703	3.2
218.10913	2.4
221.09610	10.4
221.13252	3.0
222.10297	3.4
223.11163	12.3
225.09108	8.3
225.12759	3.4
225.16405	2.2
228.81195	1.5
229.08647	3.8
229.95624	1.6
233.09732	1.6
235.11137	1.6
235.14902	4.0
236.11920	2.2
237.09128	5.4
237.12769	5.3
238.13585	1.6
239.10706	5.0
241.08560	2.7
241.12270	20.5
243.10187	80.5
244.10567	2.0
249.12762	2.5
251.14505	2.5
253.15903	48.6
257.08136	2.5
261.12787	2.4
263.14331	13.9
264.15125	14.2
267.10052	3.6
269.08081	4.3
271.09659	2.4
279.13809	4.5
281.15353	34.6
283.09534	1.6
283.17719	3.1
299.09131	3.4
307.13290	4.4
311.08899	2.3
377.48392	1.5
381.14981	2.6
427.15338	1.8
437.21353	2.2
441.16818	2.1
453.20163	1.8
455.22189	19.4
465.20731	21.1
483.21671	87.5
484.21991	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	483.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16987	0.6
53.03935	1.3
54.77455	0.7
55.01852	2.8
55.05500	1.0
58.13390	0.7
67.01859	0.8
67.05479	2.6
69.03437	6.1
69.07044	1.3
70.21658	2.9
79.05476	3.7
81.03426	4.4
81.07060	5.0
83.04953	1.9
89.06033	6.7
89.48248	0.7
91.05479	4.6
93.07037	1.7
95.01315	2.8
95.04967	1.8
95.08601	1.9
103.05446	1.0
105.03395	1.3
105.07028	4.2
107.04933	2.7
107.08589	1.8
109.06486	2.2
109.10113	2.0
109.23830	0.8
111.04427	3.1
115.05462	2.3
116.06236	0.8
117.06989	2.0
119.04945	0.9
119.08575	3.8
128.06212	5.5
129.07022	6.1
131.04938	1.6
131.08565	2.7
133.02861	1.2
133.06468	1.8
133.08583	2.5
135.04408	2.0
135.08052	0.8
137.05919	1.0
141.06978	5.6
142.07773	4.7
143.08577	10.6
144.05653	0.9
145.06491	5.2
145.10094	2.7
147.04407	2.7
147.08060	3.4
149.02318	3.0
151.03900	1.2
152.06232	1.6
153.07011	3.5
154.07788	6.9
155.08551	9.0
156.09312	2.6
157.06506	3.5
157.10144	6.2
158.07266	1.2
159.04346	1.0
159.08058	2.3
160.05214	2.0
161.02347	7.9
161.06009	3.5
163.03900	2.6
165.07013	6.3
166.07770	2.5
167.03375	2.9
167.08543	5.1
168.09389	3.7
169.06448	1.6
169.10139	18.6
170.07198	1.1
170.10728	0.7
171.08067	1.7
171.11703	7.7
173.06017	3.6
173.09604	1.5
174.06836	0.9
175.03944	1.6
175.07532	2.3
177.11218	1.3
178.07776	2.7
179.08577	8.5
180.09393	5.8
181.06474	2.5
181.10141	7.5
182.07268	2.2
182.10872	1.6
183.04414	0.9
183.08122	4.6
183.11705	11.4
185.05991	4.9
185.09650	4.3
185.13269	2.9
187.03909	4.5
187.07503	2.1
187.11140	0.8
189.05522	5.1
189.06940	1.1
189.09077	1.7
190.07747	0.9
191.08572	1.3
192.09349	3.2
193.10118	6.1
194.07219	0.7
194.10921	3.0
195.08127	3.6
195.11699	9.5
196.08740	0.9
197.09618	6.2
197.13248	1.3
198.06898	0.9
199.07555	2.0
199.11166	1.9
200.04730	1.1
200.08369	1.0
201.05502	2.1
201.09059	2.3
203.07040	100.0
204.07452	1.5
204.09291	0.8
205.10135	2.8
206.10916	3.8
207.08154	1.2
207.11728	3.3
208.08850	1.9
209.09657	3.0
209.13258	2.9
210.06749	1.0
211.07491	1.9
211.11160	4.2
212.08450	0.7
213.05493	1.3
213.09155	4.1
213.12738	1.9
215.08635	0.7
215.10603	1.7
218.10907	1.1
219.08073	1.9
219.11736	0.9
220.08804	0.8
220.12512	1.7
221.09636	3.7
221.13295	4.2
222.10368	2.0
223.11186	12.8
224.11795	0.8
225.09105	6.4
225.12798	2.5
225.16457	1.0
227.06998	1.7
228.07738	1.3
229.08482	1.8
230.10863	1.8
233.09738	1.6
233.13274	1.6
235.11194	2.3
235.14832	3.1
237.09091	1.2
237.12781	4.1
239.10677	3.9
239.14296	8.3
241.08646	2.8
241.12262	8.0
243.10188	81.0
244.10564	1.6
245.13232	2.4
246.10390	0.8
248.12035	1.3
249.12834	3.4
251.14380	1.9
253.12283	3.1
253.15912	11.5
255.06676	0.8
255.10078	0.7
261.12772	1.9
263.14343	16.0
264.15073	4.6
269.08054	1.9
271.09595	2.3
279.13791	1.6
281.15378	30.8
283.17502	3.1
284.17880	0.8
289.12250	2.0
299.09222	4.3
301.10800	1.7
307.13452	3.9
313.10812	1.0
315.12500	0.8
423.19574	1.4
437.21301	4.3
439.22580	2.0
441.20764	1.9
447.19696	1.6
453.20703	0.8
455.22113	2.3
465.20673	19.8
483.21719	57.5
484.21973	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	483.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15218	0.5
55.05517	0.6
67.05496	0.9
67.13708	0.5
69.03430	2.2
69.07064	0.9
69.60860	3.8
71.04984	1.1
79.05492	1.2
81.03412	1.2
81.07029	1.6
83.04984	1.0
83.08602	0.8
85.02905	2.2
91.05476	0.9
93.07040	1.1
95.08614	0.9
97.02887	1.5
98.97576	0.7
105.07014	1.0
107.08619	0.7
109.06532	0.9
109.10159	1.3
116.98625	0.6
119.08610	0.9
121.06506	0.8
121.10153	1.2
127.03921	1.2
133.10143	0.8
135.08049	1.3
136.07549	1.1
137.05977	1.5
157.10095	0.9
163.07524	0.9
164.07088	1.3
167.07065	0.6
177.05481	0.8
183.06561	0.9
185.04329	0.7
195.10175	0.9
205.04768	6.9
208.40012	0.7
217.08458	6.0
227.05260	1.9
234.08623	5.3
235.09471	6.3
245.06342	1.2
271.04266	2.6
272.09088	0.6
289.05313	10.3
303.13495	0.6
319.16199	0.6
321.09253	0.6
345.89185	0.6
386.62872	0.5
397.14719	4.3
421.14545	0.9
439.15787	29.8
440.16205	1.2
465.13763	1.6
483.14679	100.0
484.14932	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	483.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96324	0.8
56.96568	9.9
57.41840	0.5
61.02928	0.6
69.03436	2.5
69.47691	2.7
69.48103	1.2
70.06590	0.7
71.95253	0.9
72.08155	0.8
81.03439	0.9
81.81981	0.6
84.96034	2.2
85.02917	3.4
93.92873	0.5
97.02866	1.4
98.97589	68.8
107.71651	0.6
110.97574	6.2
112.07629	0.7
112.99135	2.2
116.97807	1.2
116.98631	19.5
119.04973	0.7
119.67136	0.5
120.08104	1.9
124.99144	3.7
127.03969	0.9
128.98607	5.2
131.00165	1.3
134.99673	3.0
136.07481	0.7
137.05942	0.7
140.98604	1.6
143.00171	9.2
144.98109	0.9
145.01758	1.8
145.04990	0.7
146.99667	2.0
147.03270	1.6
147.04445	1.1
152.98619	1.9
155.00243	0.7
158.99667	24.3
161.01233	6.2
162.99092	0.6
165.04369	1.1
166.08600	0.6
167.07056	0.6
170.99669	6.5
171.03271	1.7
173.01245	1.1
174.99242	0.6
175.02870	0.6
177.00722	15.7
179.02266	0.7
181.13332	0.9
182.99681	4.8
185.01225	0.9
187.02797	0.9
189.00728	6.9
189.04323	4.0
194.99831	0.6
195.01768	1.2
199.02739	0.7
201.00731	10.3
201.04433	0.7
207.01816	0.7
207.05428	1.2
213.00732	1.7
219.01781	18.5
231.01785	2.6
231.05481	1.1
237.02835	13.0
243.05351	0.7
249.02841	14.7
249.06627	0.7
261.06534	0.6
267.03912	3.2
291.03873	6.9
291.07532	7.1
303.13419	0.7
309.05228	0.6
309.08560	17.8
321.14536	1.0
332.10471	0.6
337.07932	0.7
423.11765	100.0
424.11963	2.4
441.12973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53371	0.4
55.05510	0.9
67.05510	1.2
69.07069	0.8
69.71729	2.5
73.07696	1.2
79.05520	0.5
81.07066	1.5
89.06033	1.3
91.05493	2.0
93.07063	1.1
95.08619	2.2
105.07076	2.7
107.08601	1.1
109.10184	1.7
119.08591	1.7
121.10143	0.8
123.11705	0.5
129.07071	0.7
131.08575	0.7
145.10159	0.7
147.11691	0.8
155.08662	0.7
159.11729	0.7
161.13335	0.5
172.79150	0.5
181.10344	0.5
201.16435	0.5
203.07043	2.8
243.10193	1.2
267.10297	1.0
283.17490	1.0
481.36633	100.0
482.37210	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61248	2.8
53.03938	4.5
55.01856	3.0
55.05503	7.2
57.03444	3.5
57.07066	9.0
61.02908	2.8
69.03443	16.3
69.07072	53.8
69.18951	27.8
71.04995	6.8
71.08629	9.8
73.02911	6.4
73.06554	10.1
81.03423	13.5
85.02909	53.9
85.10175	6.2
87.00829	25.4
89.06041	28.8
91.03934	3.1
97.02898	26.7
99.04455	8.1
105.01866	37.2
109.02904	19.9
111.11733	79.7
117.01848	2.7
127.03925	39.2
129.12767	100.0
140.00389	2.7
145.04968	22.4
159.02892	10.6
160.96010	2.9
175.32561	2.4
176.76991	2.6
199.16959	15.6
217.17896	13.5
231.05006	9.3
243.90355	3.0
269.08124	5.6
284.06750	5.7
299.09146	7.8
308.29819	2.6
333.07416	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54321	0.8
56.73967	0.8
56.96575	5.5
62.46630	0.7
65.36903	0.7
69.41404	5.2
71.95274	1.7
78.36901	0.7
98.97594	34.0
113.92802	0.7
114.95541	0.9
116.98637	21.6
134.99664	7.5
141.68246	0.7
172.94362	1.4
174.97670	6.9
190.95607	3.1
192.98752	5.0
208.96619	2.2
214.95602	8.8
216.98747	4.3
232.96689	18.5
233.96848	1.1
234.99889	6.7
238.95670	1.9
240.98808	1.6
250.97823	12.4
256.96695	39.2
257.96851	1.6
258.99890	8.8
260.00058	1.3
260.99765	0.8
270.91150	2.4
274.97702	87.1
275.97983	4.4
276.97858	2.1
277.00876	9.5
280.96899	3.7
282.96851	1.5
282.99963	9.4
288.92084	1.6
292.98706	19.5
293.98972	1.6
297.99213	2.6
298.97769	83.9
299.97955	4.6
300.98169	0.8
301.01117	8.8
302.87137	1.1
316.98831	100.0
317.98947	6.2
318.99023	1.2
332.96667	2.2
334.99869	2.4
338.96072	0.9
340.00436	2.4
340.98807	3.1
358.99942	5.3
374.97809	4.2
380.96817	1.2
398.97729	5.2
410.89023	1.9
416.98965	11.4
422.97641	7.9
428.89911	2.5
440.98978	88.0
441.99106	6.0
456.96497	1.2
459.00009	86.0
460.00241	7.5
473.01587	1.1
482.01797	5.6
483.00021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05476	0.6
60.37200	0.3
67.05486	0.6
68.04990	0.5
69.03403	0.7
69.07035	0.4
70.06564	0.8
71.04966	0.4
71.47200	0.8
79.05492	1.7
81.07005	1.4
85.02899	0.4
91.05480	1.7
93.07049	2.9
95.04938	0.4
95.08623	3.1
97.02875	0.5
105.07042	4.2
107.07973	0.3
107.08601	4.2
114.05455	0.4
119.08601	4.2
121.10162	0.9
123.11712	0.8
127.03938	0.6
133.10127	6.1
135.11728	3.1
137.05968	0.5
147.11688	0.5
175.14816	1.2
183.02858	1.4
185.04202	0.6
203.05232	1.6
203.06862	0.4
215.10593	0.7
227.05212	0.5
240.20822	0.3
245.06320	6.1
245.11722	0.7
271.04318	0.9
287.03748	1.1
289.05313	100.0
290.05640	1.0
296.77945	0.3
303.04706	0.4
345.76605	0.4
407.07318	0.4
437.21509	1.3
447.11285	0.4
463.19647	0.5
481.20538	29.8
482.20837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
59.70272	0.6
67.05527	1.5
69.03436	0.7
69.07079	0.9
71.58083	0.8
79.05489	1.1
81.07055	2.2
83.05018	0.6
85.02886	0.8
87.71107	0.6
93.07088	0.8
95.08655	1.0
97.06554	1.3
97.10175	0.6
98.97575	1.0
105.07027	1.3
107.08588	0.8
119.08656	1.0
121.06486	0.8
123.11729	0.8
137.02364	1.0
137.05907	1.3
145.10143	0.6
151.11169	0.8
157.10175	0.8
164.02466	0.6
181.04968	1.3
185.13158	0.6
201.47562	0.6
215.74541	0.6
233.15102	2.8
238.65201	0.6
261.14682	2.4
284.07068	0.6
289.49887	0.6
296.78876	0.6
301.07147	0.7
339.38269	0.8
377.19363	0.7
395.20432	12.9
402.95325	0.6
437.21497	29.6
438.21957	1.0
481.20496	100.0
482.20859	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	481.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
67.05483	0.8
69.07072	1.2
70.92322	1.4
81.07072	0.8
85.02922	0.5
85.82751	0.5
86.09705	2.0
91.05470	0.7
93.07052	0.6
95.08609	0.6
102.26750	0.5
105.07046	1.0
107.86877	0.5
109.10209	1.0
120.08108	0.9
127.03889	0.7
130.06534	1.6
133.10147	0.8
137.05984	0.8
150.41479	0.6
152.24988	0.7
157.07610	1.2
167.08801	0.5
233.15114	3.3
245.06313	0.9
271.04019	0.8
275.16351	1.1
289.05347	3.8
316.16626	0.7
336.83273	0.6
395.20419	7.6
419.20276	1.3
437.21487	25.0
463.19553	1.2
481.20477	100.0
482.20679	3.3
487.73212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
59.04982	0.9
65.19329	0.7
67.05491	1.5
69.07057	2.1
71.33202	1.3
79.05479	1.3
81.07063	3.4
85.02892	2.5
87.04466	0.9
91.05473	1.7
91.73796	0.7
93.07050	1.7
95.08627	3.7
97.02890	1.6
97.06504	0.7
105.01845	0.7
105.07024	4.2
107.08614	3.9
109.02879	0.7
109.10143	1.0
111.11698	1.9
119.08571	7.1
121.10181	0.7
127.03983	1.6
129.12735	1.6
131.08588	0.9
133.10139	7.9
135.11707	2.4
137.02339	0.9
137.05998	2.5
144.15440	0.8
145.04984	0.9
147.11697	1.4
173.97343	0.8
175.14806	4.5
185.04213	0.9
185.19647	0.7
196.48645	0.8
203.05312	2.3
245.06401	7.2
271.04105	1.0
289.05304	83.4
437.21533	11.5
463.19241	2.4
481.20490	100.0
482.20667	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	481.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
67.05483	0.8
69.07072	1.2
70.92322	1.4
81.07072	0.8
85.02922	0.5
85.82751	0.5
86.09705	2.0
91.05470	0.7
93.07052	0.6
95.08609	0.6
102.26750	0.5
105.07046	1.0
107.86877	0.5
109.10209	1.0
120.08108	0.9
127.03889	0.7
130.06534	1.6
133.10147	0.8
137.05984	0.8
150.41479	0.6
152.24988	0.7
157.07610	1.2
167.08801	0.5
233.15114	3.3
245.06313	0.9
271.04019	0.8
275.16351	1.1
289.05347	3.8
316.16626	0.7
336.83273	0.6
395.20419	7.6
419.20276	1.3
437.21487	25.0
463.19553	1.2
481.20477	100.0
482.20679	3.3
487.73212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99428	0.6
56.04974	2.9
60.05590	1.6
69.03384	0.9
69.23592	0.7
70.06558	1.4
70.82933	0.5
71.33127	0.9
72.08125	0.6
83.06056	1.3
85.02841	2.1
85.03964	0.7
87.05508	0.8
94.00197	0.5
95.06036	1.3
97.02816	2.1
98.97521	0.7
105.03353	0.8
105.19256	0.7
106.06516	0.8
111.05556	5.2
113.07150	3.2
120.04391	2.3
123.05469	0.6
126.06587	1.8
127.07336	0.8
132.03598	0.7
132.04454	9.1
132.08052	1.1
134.06020	3.2
140.08125	1.4
141.10222	0.7
143.01897	0.7
147.50156	0.6
148.03906	0.7
150.05544	3.1
151.06163	4.2
165.06595	0.7
168.08771	0.7
176.07013	1.6
187.08627	3.2
187.10629	0.8
189.06548	0.6
202.09839	3.5
203.08087	1.8
208.70949	0.6
230.09245	2.5
231.07677	17.2
232.10831	1.3
233.09238	1.2
233.13995	6.1
242.09180	2.4
246.08702	0.9
257.10239	1.9
259.11920	21.0
260.10287	1.2
265.11902	0.6
277.12961	77.2
278.13300	1.3
284.11334	5.5
289.11887	1.6
299.10449	0.7
301.14081	2.1
302.12473	42.4
303.12766	0.9
313.12042	0.8
315.13470	0.7
317.11374	6.4
319.15152	100.0
320.15363	2.5
352.68640	0.6
373.14133	1.2
385.74445	0.6
397.13358	0.6
397.42587	0.6
427.15149	1.5
445.16006	1.5
463.17239	2.6
481.13416	2.1
481.20435	48.0
482.20752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	0.4
69.03422	0.6
69.04544	0.4
71.13404	0.6
79.63063	0.4
81.03403	1.7
81.04545	24.4
83.06086	1.2
85.02892	1.2
89.03915	2.6
91.05540	0.4
95.05502	0.8
95.06100	16.6
97.02908	0.6
107.06123	0.4
108.04482	0.4
109.02861	0.8
117.03391	8.3
125.07121	24.8
126.78284	0.4
127.03907	0.5
134.03638	0.9
143.08168	100.0
144.08531	0.9
145.02850	20.8
147.45676	0.4
149.05965	3.1
177.05479	35.4
178.05830	0.6
178.08615	0.7
185.09349	0.4
186.05421	0.5
201.10397	0.4
205.09792	0.4
217.09837	0.5
229.09819	0.5
230.08443	0.5
232.07042	0.5
243.11266	0.7
265.11844	3.0
289.11850	2.7
299.10040	0.5
301.12021	0.5
305.13437	3.0
317.11499	1.0
319.12802	2.3
321.09805	1.6
335.12390	3.6
339.10974	1.7
361.14133	0.5
373.13910	2.2
415.14944	0.5
427.15125	2.6
437.14072	1.8
445.16177	0.8
463.17090	2.4
481.13007	2.8
481.18527	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1859
Annotation	7-Oxostaurosporine
Peak:m/z	Relative Intensity
51.63955	0.8
55.05501	1.3
58.93999	0.8
67.05513	1.0
69.07052	1.2
69.69051	1.7
69.69467	2.9
73.96185	0.8
79.05487	2.1
81.07054	3.3
83.04971	5.4
84.29995	0.8
87.50035	0.7
91.05485	1.8
93.07024	1.5
95.04972	1.9
105.07053	2.4
105.29163	0.8
115.62697	0.8
117.07029	2.0
119.08583	2.2
120.97926	0.8
121.06512	0.8
128.06299	1.2
133.10115	0.8
137.06055	0.9
143.08580	1.3
145.06528	1.2
145.10130	1.1
151.03906	31.3
151.05125	1.7
155.08569	1.0
156.09375	1.3
157.10233	1.0
159.11697	1.3
161.05977	1.7
163.03925	1.5
169.10121	0.8
171.11652	2.1
177.05473	1.7
189.05498	4.1
191.03206	1.1
199.11205	3.9
201.05550	1.2
203.06985	4.1
207.06549	3.5
211.11276	0.9
219.13776	1.4
251.10751	1.8
253.08621	1.3
255.09909	1.5
261.09229	1.0
265.08466	1.1
267.10190	6.6
278.09396	1.1
279.10129	1.3
291.10318	2.3
293.08112	5.2
293.11725	5.0
295.09698	1.8
295.13184	1.0
301.12296	1.2
305.11740	2.4
309.07623	2.9
319.09552	1.2
319.13406	1.0
321.11301	1.4
323.09152	1.9
329.15302	0.9
333.11185	1.5
333.14938	1.9
342.12329	1.7
347.12637	1.3
347.16547	3.2
357.14923	3.0
359.16373	2.0
365.10156	1.6
375.15933	17.2
376.16489	1.1
377.17572	5.9
385.14444	3.3
393.16971	2.2
403.15302	5.2
405.17032	6.3
417.17090	1.0
421.16479	3.5
435.18073	20.8
445.16559	2.2
449.16016	3.0
453.19107	22.4
463.17731	2.4
481.18600	100.0
482.18997	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	481.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
56.96560	2.4
59.26608	0.9
61.02919	1.8
67.05505	2.5
69.07069	1.4
71.22433	1.0
71.55946	1.9
79.05490	3.0
81.03426	2.0
81.07049	3.0
85.02879	1.9
91.05497	5.0
93.07042	1.8
95.04967	3.0
95.08627	3.0
98.03174	1.0
103.05501	1.4
105.07050	2.5
107.04960	1.3
107.08593	2.4
109.06500	1.7
115.05466	2.1
116.06276	1.7
117.07028	3.5
119.04964	2.0
119.08640	2.1
121.06510	3.5
121.10095	1.3
124.05238	2.3
128.06229	1.8
128.98526	1.2
128.99850	1.0
129.07016	2.2
131.08525	1.6
133.06512	2.6
135.04443	4.3
135.08028	1.3
136.05241	3.4
137.05995	1.5
139.07472	2.1
141.07060	1.1
143.08540	1.3
144.05702	12.2
145.06487	21.8
145.10168	1.1
147.04453	2.3
147.08060	10.4
148.05344	1.4
149.02403	1.8
149.05984	2.2
151.03964	1.2
151.07547	5.8
157.06523	1.8
158.07262	9.6
159.08051	17.8
160.05231	4.0
161.02419	5.8
161.05978	9.9
161.09653	3.5
163.03941	3.8
163.07518	1.6
164.04681	2.3
165.05490	1.1
165.09071	1.2
167.03467	1.7
167.07060	3.2
169.57547	1.1
171.08138	1.3
172.76761	0.9
173.09645	8.9
174.06796	1.7
175.04044	1.1
175.07558	19.6
176.04733	2.3
176.08328	46.6
177.05515	4.2
177.09044	4.1
178.06232	1.3
179.07060	6.2
185.05994	4.7
187.03891	1.4
187.07568	3.2
189.09111	5.7
191.07040	21.2
192.07825	30.5
193.08655	2.8
201.09125	11.6
203.07043	100.0
204.07463	1.3
207.06583	5.3
209.08128	3.1
213.09258	2.6
219.10168	58.0
227.07007	2.8
229.08632	6.3
230.09378	1.5
241.08578	1.7
243.10191	8.7
247.09683	6.0
251.12843	1.6
259.08569	2.1
267.10284	1.3
279.12177	1.3
291.28592	1.1
295.13452	1.1
321.11118	1.7
339.15979	2.6
347.08890	1.5
349.10687	3.7
361.14490	1.5
367.15512	11.5
379.15414	3.3
389.13770	1.3
393.13489	1.1
403.15329	1.1
407.14822	7.6
411.14340	18.1
411.19177	1.7
412.14859	1.4
421.16501	7.0
431.14865	3.3
449.15973	7.4
453.19061	4.3
463.17383	2.7
463.30389	2.0
463.67752	1.2
481.18652	3.7
481.33368	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80704	0.3
68.05025	0.4
69.03424	1.0
69.04553	0.5
69.54461	2.6
70.06602	0.5
72.08147	0.6
76.82311	0.3
79.94544	0.4
81.03443	2.2
81.04545	26.7
83.06111	1.2
85.02916	1.4
86.09706	0.4
89.03922	2.3
91.05473	0.5
95.06098	17.8
97.02870	0.6
107.04969	1.0
107.06058	0.5
109.02890	0.6
117.03384	6.6
119.04926	0.4
120.08112	0.4
121.02899	2.2
125.07126	24.1
127.03896	0.4
135.04442	0.4
143.08170	100.0
144.08513	0.7
145.02858	18.3
149.06013	2.4
177.05482	27.7
178.05856	0.4
203.03343	2.6
205.05017	0.5
211.03989	0.4
221.04634	0.6
229.04977	0.9
233.08011	0.6
279.06821	0.4
293.08176	0.4
305.13550	1.6
307.06161	0.9
308.06754	0.9
317.07996	0.4
319.12909	0.9
321.07291	4.2
322.08334	0.6
328.32944	0.5
333.07596	2.3
333.11078	0.4
335.09335	0.6
339.10779	1.3
347.09189	2.5
349.07065	4.7
351.08615	0.8
359.09244	0.5
361.06918	1.9
361.10986	0.8
375.08679	2.8
383.55630	0.4
387.08566	0.8
389.10599	0.5
403.02963	0.6
403.07977	3.4
404.08490	0.5
417.09662	0.9
433.09247	1.0
437.14536	0.8
445.09219	1.2
445.15891	1.0
463.10229	3.2
463.17203	1.7
481.11453	11.6
481.17593	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	481.1686
Annotation	Bruceine B
Peak:m/z	Relative Intensity
67.05483	0.5
69.83837	0.4
78.36636	0.4
81.07039	0.7
85.02953	0.5
89.12338	0.4
95.08619	0.8
105.07069	0.4
108.48862	0.4
109.10132	0.6
111.83436	0.4
119.08604	0.5
137.05980	0.9
143.03383	0.4
156.07230	0.4
159.40521	0.4
159.88110	0.4
173.04192	0.7
186.06400	0.8
206.07863	0.4
215.05322	1.3
229.06905	0.7
245.06480	0.7
289.05325	6.4
317.08392	2.1
349.12656	1.8
349.71756	0.4
481.16830	100.0
482.17102	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	481.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25824	0.6
53.75193	0.6
61.28155	0.5
69.66715	1.4
69.67125	1.8
82.45941	0.5
84.80805	0.5
88.04348	0.6
89.20693	0.5
101.60651	0.6
117.69891	0.5
185.02187	0.7
192.07510	0.6
203.03165	1.9
211.03685	5.4
215.03117	2.7
218.05583	0.6
225.05292	1.2
227.03114	1.0
230.05510	5.4
231.13284	0.5
233.04202	3.6
247.65691	0.5
248.06544	7.0
267.06317	2.1
269.07861	8.7
293.28619	0.5
297.07315	2.1
390.10742	1.0
403.11377	1.0
410.26242	0.5
419.11142	1.5
433.12741	1.9
435.10617	7.6
449.12546	0.6
450.12939	16.9
451.13519	1.3
481.14740	100.0
482.15253	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	481.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05527	0.6
56.96557	0.5
66.58077	0.4
67.05486	1.5
67.10430	0.4
69.03429	2.7
69.07075	0.9
71.05029	0.8
71.57755	0.5
71.58163	0.5
75.04488	13.6
79.05475	1.1
81.03411	0.7
81.07056	2.0
91.05486	4.3
93.07034	1.8
95.04972	0.6
98.97588	1.4
99.04462	10.6
103.05476	1.1
105.03404	0.7
105.07038	1.6
107.04947	1.2
107.08607	1.1
109.06544	1.0
111.04384	0.6
115.05444	2.0
117.07023	1.1
119.08566	1.6
121.06513	0.5
124.05190	1.1
128.06221	1.2
128.71399	0.5
129.06998	3.2
131.00226	0.6
131.04915	2.9
131.08548	0.5
132.05740	1.2
133.06511	1.3
135.11687	0.5
139.07529	2.3
141.07030	0.4
142.04189	0.5
143.04924	0.9
143.08539	0.6
144.05687	1.6
145.06502	2.8
146.07309	1.2
147.04329	0.7
147.08058	6.9
149.02335	2.5
151.03914	1.3
151.07596	0.5
156.03647	0.7
157.06543	1.2
158.07304	4.0
158.99660	1.0
159.04416	5.1
159.08035	1.0
160.05243	4.1
161.02341	5.9
161.06055	2.5
163.03850	1.0
163.07481	0.5
165.01843	0.6
167.03426	1.1
169.10114	0.5
173.06032	3.1
174.06778	12.1
174.08165	0.8
175.03955	1.6
175.07574	9.0
177.00691	0.8
177.05365	0.7
185.05910	2.6
187.03912	1.7
189.05453	1.0
189.09142	5.1
191.07092	0.8
192.07678	0.5
200.04634	0.5
201.05487	2.4
201.09012	0.5
203.07042	100.0
204.07422	1.7
207.10204	0.6
215.06998	4.1
218.05756	0.9
219.06541	14.8
225.09019	1.0
233.08116	8.7
243.10190	14.5
251.09178	6.9
253.08704	0.5
255.15985	0.5
261.12646	0.6
271.09619	0.7
277.13837	0.9
277.21689	0.5
296.46951	0.5
301.20145	1.6
349.27029	0.5
421.12988	2.6
435.14410	6.1
453.15527	3.8
481.14816	14.3
481.20490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51767	0.8
58.13519	0.9
67.05492	1.2
69.03416	2.3
70.06587	3.9
70.10203	2.4
70.10592	1.6
72.08143	1.3
81.03432	1.3
81.04538	8.0
81.07069	1.7
85.02898	2.9
91.05475	1.1
93.07085	1.3
95.04967	1.0
95.06076	3.8
96.08159	1.2
97.02904	1.6
98.97582	1.0
113.07143	0.8
117.03356	1.8
119.08598	1.1
121.10165	0.8
122.25274	1.1
125.07133	8.5
127.03932	1.3
138.09218	1.1
143.08171	29.7
145.01888	0.9
145.02818	5.6
147.04335	1.8
150.05455	1.0
161.06065	1.1
166.05028	3.7
167.03156	1.1
177.05463	9.0
197.12863	1.8
211.51045	0.9
215.67891	1.1
217.04811	2.0
227.05278	2.7
228.36192	0.9
232.07063	10.5
233.07838	8.9
262.41925	1.0
271.04272	5.0
271.10794	1.6
273.12213	1.0
283.10886	2.6
288.47067	1.0
300.13519	1.1
301.11874	4.6
312.72818	1.0
319.12827	7.6
333.07443	1.3
349.07172	1.4
395.13168	5.7
437.14264	36.5
438.14444	1.4
445.15903	1.3
463.17456	1.1
481.13159	100.0
481.18481	3.9
482.13480	3.1
482.20181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1115
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
50.75666	1.7
56.91679	1.6
56.96551	3.7
60.77213	1.4
60.80119	1.7
62.65142	1.8
65.48950	1.6
68.87931	1.8
69.03409	2.3
69.38200	15.3
79.05472	1.8
85.02909	2.4
85.72424	1.6
95.08620	2.1
98.97604	22.0
105.06993	2.0
110.97598	10.1
113.88655	1.6
116.98635	6.3
127.03881	2.1
128.98604	6.7
137.05969	2.3
139.03967	1.8
146.99597	1.9
164.06819	1.7
167.07031	1.6
170.99651	2.2
189.00931	1.9
219.01767	13.9
233.05702	1.8
236.03511	2.1
237.02805	12.3
246.57826	1.9
254.04622	12.4
272.05713	3.1
275.22430	1.7
293.07022	4.6
311.08020	8.3
314.04755	2.7
325.10132	2.1
347.07959	3.2
395.10159	11.7
413.11456	12.6
437.12125	14.6
437.21121	2.2
481.11115	100.0
481.20627	9.5
482.11722	2.7
498.19971	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51767	0.8
58.13519	0.9
67.05492	1.2
69.03416	2.3
70.06587	3.9
70.10203	2.4
70.10592	1.6
72.08143	1.3
81.03432	1.3
81.04538	8.0
81.07069	1.7
85.02898	2.9
91.05475	1.1
93.07085	1.3
95.04967	1.0
95.06076	3.8
96.08159	1.2
97.02904	1.6
98.97582	1.0
113.07143	0.8
117.03356	1.8
119.08598	1.1
121.10165	0.8
122.25274	1.1
125.07133	8.5
127.03932	1.3
138.09218	1.1
143.08171	29.7
145.01888	0.9
145.02818	5.6
147.04335	1.8
150.05455	1.0
161.06065	1.1
166.05028	3.7
167.03156	1.1
177.05463	9.0
197.12863	1.8
211.51045	0.9
215.67891	1.1
217.04811	2.0
227.05278	2.7
228.36192	0.9
232.07063	10.5
233.07838	8.9
262.41925	1.0
271.04272	5.0
271.10794	1.6
273.12213	1.0
283.10886	2.6
288.47067	1.0
300.13519	1.1
301.11874	4.6
312.72818	1.0
319.12827	7.6
333.07443	1.3
349.07172	1.4
395.13168	5.7
437.14264	36.5
438.14444	1.4
445.15903	1.3
463.17456	1.1
481.13159	100.0
481.18481	3.9
482.13480	3.1
482.20181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19930	0.8
55.01880	3.7
55.05510	1.8
57.03440	1.1
61.02913	1.0
67.05492	1.5
69.03427	3.8
70.06573	0.9
71.58199	0.7
79.05505	3.1
81.03424	3.3
81.07058	13.9
85.02911	7.2
87.00835	2.7
91.05488	3.0
93.07037	1.7
95.08611	0.9
97.02900	4.5
97.06545	1.0
99.04475	1.2
104.78950	0.8
105.01916	1.7
105.07045	2.6
107.08620	1.8
109.02871	3.0
109.06525	6.5
109.10173	1.8
119.04960	2.2
119.08611	2.3
121.88905	0.8
125.05994	12.8
126.09101	1.0
127.03918	10.2
133.10133	3.7
137.05988	100.0
137.09563	4.1
138.06314	1.0
143.08591	1.1
145.04907	0.9
147.04439	8.2
151.11125	1.5
154.08678	1.0
159.02829	1.4
161.09653	5.0
179.10689	50.1
197.11751	71.0
198.12167	1.3
215.09277	1.4
231.05104	1.3
286.10770	1.1
306.11029	1.0
311.10254	2.2
314.73279	0.8
409.15228	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01846	2.5
57.03450	10.1
59.04998	2.3
67.05507	2.7
69.03432	36.0
69.07067	18.0
69.99620	8.8
73.02901	2.0
74.47260	2.2
79.05505	4.4
81.03432	8.8
81.07058	8.7
84.47041	1.8
85.02916	37.9
87.00830	5.2
87.04482	19.6
91.05482	7.5
95.04978	2.3
95.08611	3.1
97.02899	32.7
97.06505	3.4
98.21454	2.2
99.04462	3.1
99.26298	1.9
103.03932	2.2
103.05447	3.5
105.01888	4.1
105.07041	100.0
109.02868	6.5
109.06505	5.4
109.10151	3.9
115.03939	32.2
123.04385	3.7
123.11711	19.5
127.03924	16.2
133.04984	28.8
137.05984	53.5
145.04964	9.4
151.11191	15.9
159.02817	3.6
189.03893	2.2
208.26852	1.9
215.10690	90.9
219.13783	2.0
228.36954	1.8
231.05009	2.8
239.10741	9.1
247.13371	2.7
252.26167	1.7
257.11667	11.1
277.12198	2.0
281.11737	5.9
283.15268	2.5
289.05371	2.5
305.11673	2.5
313.16522	2.2
323.12677	3.7
353.02481	1.9
481.20477	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	480.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03952	1.6
55.01878	2.2
57.03443	1.7
59.75227	0.2
61.02929	1.5
65.03955	0.6
67.05489	0.3
68.99786	2.4
69.03433	6.1
69.07063	0.8
69.60631	1.6
71.01344	0.3
71.05005	1.3
73.02919	1.7
77.03923	0.4
79.05495	4.0
81.03422	5.2
81.07055	2.7
83.04981	0.3
85.02911	18.3
87.00836	6.2
91.03977	0.3
91.04953	0.5
91.05485	6.9
93.07047	0.3
95.04964	1.1
95.08611	0.3
97.02895	7.7
98.21465	0.5
98.97616	0.5
99.04456	3.2
103.03947	0.9
103.05452	2.6
105.01876	5.5
105.07035	100.0
106.07356	1.2
108.04490	0.4
109.02885	5.8
109.06534	4.5
115.03941	0.7
117.01886	0.8
119.04946	1.4
119.08588	0.3
123.04436	4.7
123.11733	0.5
124.05215	0.4
127.03924	15.1
129.01860	1.3
133.06487	0.6
137.05983	52.8
138.06357	0.7
145.04964	7.9
147.02911	1.6
147.04413	0.4
151.11134	0.4
159.02895	5.6
161.05969	2.3
171.02901	0.4
179.07030	0.6
189.04002	1.8
213.03943	0.5
215.10686	90.5
216.11084	2.4
231.05013	3.1
239.10678	11.9
251.10643	0.5
257.11743	11.5
257.14471	0.5
258.12128	0.4
277.12195	0.6
281.11734	5.9
305.11716	3.0
323.12796	5.3
332.33817	0.3
390.88885	0.3
399.13849	0.3
418.70313	0.3
427.13687	0.4
437.21375	0.8
481.20590	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	479.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	38.4
57.06863	8.5
57.07079	100.0
60.53958	10.9
67.05508	24.6
69.07065	48.8
71.08641	90.2
71.58013	18.0
71.58429	11.7
79.05502	29.1
81.07062	54.5
83.04970	9.2
83.08629	31.5
84.48477	10.0
85.10192	81.9
93.07056	51.0
95.08611	41.6
95.72530	7.6
97.06499	9.6
97.10169	24.7
101.06036	54.5
105.06997	9.8
107.08598	36.3
109.06490	10.5
109.10161	25.9
111.04428	8.6
111.11735	18.4
121.10130	33.3
123.11639	10.6
127.07574	91.3
129.05496	84.0
135.11699	30.0
139.07570	12.3
149.13289	14.0
155.05861	9.5
163.14677	13.5
167.10651	9.5
191.17966	10.6
195.17413	10.9
307.29868	10.6
392.41803	9.2
398.67606	8.3
479.34897	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
55.01879	2.1
55.05501	4.2
56.16003	1.4
56.62121	1.2
56.96562	1.3
57.07069	2.3
65.03925	1.5
67.05510	14.3
69.03421	1.5
69.07083	5.8
71.08640	2.9
71.28449	2.4
73.56617	1.2
73.57475	1.0
73.58139	1.2
74.06693	1.2
75.34451	1.1
79.05494	5.4
81.07060	9.6
83.08648	1.8
91.05491	17.8
93.07053	7.2
95.04978	2.0
95.08588	6.3
97.02824	1.3
97.06527	1.6
103.05518	2.0
105.07035	31.7
107.08580	6.7
109.10152	14.9
115.05466	1.4
117.07035	11.4
119.08590	47.0
121.10168	3.6
129.07013	3.4
130.07787	4.8
131.08557	12.6
133.10144	5.4
135.11676	1.6
143.08554	3.6
145.10127	96.1
147.11746	1.9
149.02364	5.0
151.03928	4.4
157.10120	2.3
159.04445	3.4
159.11690	17.8
161.05910	1.6
167.03397	2.8
173.13324	2.7
175.03894	25.2
177.05423	5.8
189.05527	2.8
193.04939	2.1
201.16417	20.1
203.01469	1.5
203.03413	45.1
203.06940	7.3
205.04964	100.0
206.05565	1.4
215.10754	2.8
217.04958	1.4
229.08559	1.6
231.10146	1.8
259.09616	16.4
261.11240	80.9
295.09644	2.3
306.27905	2.5
307.28241	10.0
309.61728	1.2
329.10223	2.9
351.15906	2.7
379.19055	6.8
393.20480	2.5
405.20361	3.4
442.46387	1.3
451.20642	1.5
461.26840	24.0
479.21054	1.8
479.27795	30.6
485.23633	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2797
Annotation	bipinnatone A
Peak:m/z	Relative Intensity
51.63824	0.4
53.03938	0.7
55.05515	2.4
55.43597	0.4
57.07064	0.5
59.93012	0.4
67.05508	7.8
69.07072	3.1
71.58819	0.4
79.05510	3.3
81.07064	17.7
82.52146	0.4
83.08619	0.9
91.05479	4.0
93.07048	6.5
95.08611	49.7
97.10156	0.6
105.07032	13.7
107.08593	8.9
109.10162	17.6
117.07019	1.1
119.08585	14.9
121.10152	7.9
123.11711	12.5
131.08551	0.8
133.10133	7.8
135.10851	0.5
135.11729	2.8
145.10109	1.3
147.11693	21.9
149.02275	0.4
155.08562	0.5
159.11726	0.9
161.13269	4.4
171.86055	0.4
173.13268	0.6
175.03922	1.3
175.14871	1.3
188.15585	0.6
200.30458	0.4
201.16472	0.8
203.03436	0.9
203.07085	2.3
203.17961	100.0
204.18355	1.5
205.04967	0.7
211.07535	3.9
224.18907	0.4
228.38857	0.4
229.08620	5.7
239.07028	1.9
241.08670	0.8
242.05779	0.5
243.10075	0.4
244.77396	0.4
257.08084	14.4
258.08478	0.7
259.09677	8.4
271.09805	0.4
275.09164	1.0
277.10681	0.8
316.28546	0.4
337.14496	0.6
339.15958	0.5
340.02625	0.4
353.17624	1.1
438.95728	0.4
461.26883	69.7
462.26956	1.9
479.27917	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	479.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.4
55.05501	1.9
67.05501	1.8
69.06718	1.1
69.07072	17.0
71.00024	1.6
73.33524	0.6
79.05493	2.7
81.07075	3.4
83.05031	0.6
87.98927	0.6
91.05485	8.7
93.07062	3.4
95.04980	1.0
95.08588	4.4
97.10161	0.7
103.05466	2.1
105.07037	60.3
106.07350	1.1
107.08608	2.4
109.10146	3.2
112.65863	0.6
115.05392	0.7
117.07027	6.1
119.08587	100.0
120.08921	1.1
121.10143	2.1
123.11724	1.3
131.04967	0.9
131.08620	1.1
133.10156	8.5
135.11673	0.7
145.10168	1.7
147.11702	6.7
159.04405	0.9
159.08109	0.9
159.11723	1.2
161.13266	1.9
163.03912	0.8
175.03952	4.9
177.05559	1.6
191.03392	0.7
195.08073	1.4
201.16339	1.3
203.03401	10.6
203.07010	2.1
203.17986	9.4
205.04976	31.8
205.06927	1.5
206.05765	5.1
211.07559	4.9
213.09103	2.2
217.04970	1.5
217.08403	0.7
229.05005	1.0
229.08635	8.3
231.06563	0.7
231.10184	1.6
239.07034	2.6
241.08633	6.8
242.05743	1.4
243.06590	1.9
244.07439	3.3
247.09673	1.0
257.08121	11.2
259.09686	40.4
260.10028	2.1
275.09177	10.8
277.10727	94.5
278.11151	1.8
328.16296	0.7
335.25769	0.7
355.15778	0.9
380.72894	0.6
411.21436	0.9
461.26721	4.7
479.27954	44.8
480.28381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43124	0.6
53.03936	1.3
55.01876	1.4
55.05513	2.0
57.07062	0.7
65.18477	0.6
67.05505	1.6
69.06718	1.2
69.07074	19.9
69.78355	2.7
79.05492	3.4
81.07061	4.1
83.08612	0.7
91.05482	12.4
93.07043	4.9
95.04966	1.6
95.08610	4.0
103.05474	2.0
105.07038	68.9
106.07352	1.1
107.05004	0.7
107.08614	3.2
109.06503	0.7
109.10154	2.7
111.11736	1.3
115.05505	0.8
117.07047	5.7
119.08590	100.0
120.08971	1.3
121.10189	1.8
123.11695	0.8
131.04948	1.1
131.08604	1.0
133.10144	12.5
143.11497	0.7
145.10172	1.6
147.11693	6.2
158.07333	0.8
159.04449	1.8
159.11768	0.9
161.13310	2.1
163.03918	0.8
173.13326	0.9
175.03914	6.1
177.05539	1.8
189.05467	1.1
191.03351	0.7
193.04959	0.7
198.06895	0.8
201.05455	0.8
201.16432	1.2
203.03404	12.0
203.07040	3.6
203.17992	9.1
205.04982	36.4
206.05705	2.9
211.07591	4.9
211.10905	0.6
213.09142	1.5
216.04297	1.5
217.04997	2.6
219.06560	1.2
227.07106	1.0
229.08586	6.2
231.06561	1.0
231.10155	3.0
239.07089	2.3
241.08649	4.1
242.05891	1.0
243.06705	1.3
243.10072	0.6
244.07372	2.8
247.09554	1.0
248.12952	0.7
257.08118	8.0
259.09689	37.5
260.09976	1.0
275.09137	10.8
277.10733	88.2
278.11136	1.3
344.67993	0.6
355.15628	0.7
404.33823	0.6
461.26819	4.1
479.27954	34.7
480.28375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2798
Annotation	bipinnatone A
Peak:m/z	Relative Intensity
53.03923	1.0
55.01859	0.9
55.05497	2.0
57.07062	1.0
67.05503	2.3
69.07074	15.9
69.61180	3.7
79.05500	3.6
81.07087	3.5
87.09225	2.2
88.46851	0.6
91.05488	10.6
93.07062	3.7
95.04974	0.7
95.08636	3.4
98.21481	1.3
103.05477	1.8
105.07036	57.5
106.07435	0.7
107.08588	2.7
109.10155	2.8
117.07020	7.7
119.08590	100.0
120.08933	1.1
121.10155	1.7
123.11739	1.1
133.10132	11.3
133.11090	1.1
145.10126	0.9
147.11693	4.9
159.04451	1.9
159.11697	0.6
159.43425	0.7
161.13254	1.7
175.03922	7.9
177.05499	1.5
177.09251	0.7
187.03966	0.8
189.05502	1.0
195.07982	0.8
201.16483	1.1
203.03387	13.0
203.07050	1.6
203.18011	7.5
205.04974	40.2
206.05698	2.6
211.07607	3.3
213.09125	1.4
216.04080	2.9
217.05020	4.2
219.06548	1.9
229.08546	5.3
231.10155	3.5
239.07014	1.9
241.08531	3.1
242.05725	0.7
244.07410	1.7
247.09702	1.8
257.08115	8.0
258.99335	0.6
259.09689	21.6
260.10226	0.9
270.21802	0.6
275.09158	10.9
277.10727	99.9
278.11191	1.8
343.11877	0.8
355.16339	0.6
391.18973	0.7
410.59161	0.7
423.22504	0.7
461.26675	1.8
479.27985	31.6
479.34277	1.4
480.28281	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64506	1.0
53.03950	1.4
55.05497	3.3
57.07076	2.1
59.02533	1.1
59.34319	1.2
62.06084	1.6
65.03941	1.8
66.68147	1.0
67.05510	13.0
69.07075	11.4
69.28299	11.4
71.04991	1.8
71.08637	2.5
72.28429	1.1
77.11345	1.2
79.05505	6.3
81.07070	9.8
83.08610	2.0
88.28749	1.0
88.41981	1.2
91.04964	1.3
91.05493	13.6
93.07056	7.3
95.04974	1.7
95.08616	6.8
101.96786	1.0
105.04563	1.3
105.06376	2.1
105.07043	32.1
107.08611	5.6
109.06525	1.9
109.10160	14.3
115.05431	2.2
117.07029	11.6
119.08588	45.2
119.09458	2.4
121.06492	3.7
121.10153	2.1
127.11214	1.3
129.07013	1.7
130.07794	7.0
131.08588	9.8
133.10133	6.1
135.08058	4.0
135.11697	2.4
143.08569	3.1
145.10135	87.2
146.10555	1.5
149.02362	3.1
149.06053	1.3
151.03896	6.8
151.07594	1.2
155.08461	1.3
157.10144	1.6
159.04457	1.7
159.11694	15.2
161.05981	1.8
161.13307	1.1
167.03360	4.3
175.03926	24.8
177.05519	5.9
179.07005	1.8
179.08542	1.4
201.16379	20.4
203.03407	49.9
203.07037	4.8
205.04976	100.0
206.05396	2.3
215.10683	2.7
217.05042	1.8
219.17520	1.2
231.06723	1.6
231.10202	2.5
257.08093	1.9
259.09711	22.3
261.11237	82.6
262.11511	1.8
289.08646	1.2
295.09583	2.1
307.28354	8.9
311.05420	1.8
323.12607	1.2
329.10025	1.3
338.27676	4.8
340.61871	1.2
353.17569	1.5
379.19186	6.5
393.20609	2.3
405.20877	2.6
447.17844	1.8
461.26926	20.3
479.20529	3.0
479.27820	8.0
480.28720	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
63.13753	0.7
69.03445	1.3
69.07070	1.5
71.57614	0.7
79.05508	0.9
81.03425	1.0
81.07066	0.7
85.02903	2.2
91.05471	0.9
93.06998	1.2
95.04992	0.9
95.08609	1.2
97.02882	1.0
105.01909	0.9
105.07108	0.9
107.08588	1.1
109.10181	0.8
111.11742	1.1
121.10146	1.3
122.36047	0.7
123.08109	0.7
127.03964	1.7
133.10162	0.8
135.08014	0.7
135.11674	1.1
173.13274	1.2
173.68137	0.8
203.05283	1.5
213.12721	1.0
213.18489	0.8
221.86786	0.7
231.04947	0.7
231.13622	4.0
245.06316	1.9
259.13177	1.5
289.05307	5.7
325.45621	0.7
375.17722	1.3
393.18857	11.2
435.19955	29.4
436.20151	1.3
479.18915	100.0
480.19574	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.4
56.47844	3.5
67.05507	12.7
69.03431	14.0
69.07062	10.4
71.04985	5.8
71.57831	5.3
72.08128	3.0
78.74478	2.7
79.05501	9.2
81.03416	10.3
81.07062	28.4
83.08624	9.2
84.08141	3.6
85.02913	29.7
85.06551	9.1
86.09729	2.7
87.00828	12.9
87.37096	2.8
89.00288	3.3
91.05482	5.5
93.07040	25.9
95.04985	3.1
95.08620	49.3
97.02898	14.1
97.06536	4.4
97.10198	5.2
99.04465	7.4
105.01883	12.8
105.07030	6.9
107.08593	29.5
109.02853	7.8
109.10168	23.5
110.37318	2.8
111.08112	4.7
121.10153	47.0
123.11740	6.6
125.09647	4.6
127.03909	21.0
133.10123	3.9
135.11699	13.1
137.13239	9.1
138.85960	3.0
145.04974	4.7
149.13298	6.9
177.16406	100.0
183.17427	4.6
195.17467	42.9
197.11832	3.4
213.18561	15.6
231.04927	4.1
231.19560	24.9
317.06604	37.3
334.53894	3.2
347.16843	6.0
479.21191	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.05510	8.6
57.07068	6.5
67.05508	10.7
69.03453	18.1
69.07056	12.5
70.06583	4.8
70.70540	9.0
71.04988	5.1
79.05488	13.4
79.10411	3.2
81.03416	8.8
81.07064	30.4
83.08614	11.8
85.02912	31.0
85.06535	11.3
86.09690	4.7
87.00835	16.8
91.05508	5.3
91.72136	2.8
93.07057	18.8
95.08617	49.7
97.02889	11.3
97.10172	7.4
99.04453	4.1
99.08095	5.1
105.01854	13.0
105.07013	6.5
107.04972	4.2
107.08610	35.6
109.02892	12.0
109.10184	17.2
119.08569	4.0
121.10141	41.6
123.11676	9.7
127.03955	16.8
135.11696	16.3
137.06067	4.4
137.13252	6.5
139.11150	7.0
145.04962	4.6
149.13332	4.6
172.80424	2.9
177.05484	4.4
177.16400	100.0
183.17473	7.6
185.63033	2.9
195.10112	5.3
195.17439	54.3
196.10458	3.8
213.18477	14.6
218.83656	3.4
231.05017	3.2
231.19542	30.6
246.64752	3.5
261.71112	2.9
292.69589	3.1
315.08624	11.1
316.08914	10.1
317.05927	15.5
317.09546	22.0
440.14264	3.2
479.11618	5.2
479.20914	4.6
479.33249	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	479.1345
Annotation	Phelligridin F
Peak:m/z	Relative Intensity
50.54128	0.8
55.05514	1.1
56.96575	1.9
60.10388	0.9
65.03945	1.4
65.96586	0.8
67.05511	3.3
67.28501	0.8
69.03435	2.0
69.07075	3.9
69.45485	6.4
75.81041	0.8
79.05505	3.7
81.03419	1.5
81.07056	3.2
83.04999	1.3
83.67310	0.8
85.02900	2.3
91.05490	12.8
93.07053	3.1
95.01336	8.6
95.04962	2.0
95.08626	2.9
97.02926	1.1
98.97588	3.1
103.05479	1.3
105.07064	2.9
107.04980	1.3
107.08598	2.4
108.02126	1.5
109.06500	1.4
109.10148	1.9
115.05404	0.9
116.98516	0.8
117.07044	1.3
118.04164	1.5
119.04933	4.1
119.08572	1.9
121.02879	0.9
121.06511	6.0
121.10148	1.1
123.00795	25.7
123.11744	1.4
127.03917	1.2
128.06253	1.1
130.04169	1.0
131.04918	1.4
131.08545	1.9
133.02872	2.7
133.10199	1.7
134.03679	1.5
135.04424	2.6
135.08096	0.9
137.02362	1.7
137.06003	2.0
143.08546	1.1
144.05743	1.3
145.02866	2.1
145.10110	1.3
146.03629	8.9
147.04419	4.9
148.05190	12.0
149.05986	9.0
151.03938	1.2
151.07494	1.2
152.01012	4.8
153.01842	5.8
158.99710	1.0
159.08078	3.0
161.05984	4.9
163.03978	1.0
169.06503	2.1
170.02147	2.2
171.07967	1.1
172.05106	1.0
175.03894	6.3
177.05490	2.2
179.03525	1.4
183.04420	1.9
184.05263	0.9
185.05942	1.0
187.07506	4.3
197.05980	5.3
199.07578	1.2
200.04767	1.6
201.05533	2.4
203.07083	1.3
211.03928	2.1
211.07341	1.1
212.04758	1.1
215.07031	6.9
225.05469	17.1
227.03200	1.2
227.07054	1.9
229.05013	1.4
240.04236	2.2
241.05029	4.1
243.06631	7.3
245.08212	0.9
253.05020	3.8
255.06529	2.0
256.07263	1.7
268.03641	1.1
271.06021	53.1
272.06787	2.0
283.05942	2.0
285.07639	1.9
293.07986	1.1
297.07706	1.8
299.05515	46.6
300.06226	16.3
301.07037	17.5
302.07639	0.8
317.06796	1.3
321.07660	2.4
330.88406	0.9
339.32968	0.8
442.22018	1.0
449.12589	8.2
461.12363	44.4
461.19296	3.7
462.12793	1.5
479.13461	100.0
479.20108	6.9
480.13992	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	479.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
67.05482	0.7
69.07039	0.6
69.79135	2.4
73.25804	0.4
74.90679	0.4
79.05471	0.9
81.03420	0.9
81.07050	1.2
85.02911	0.4
89.03895	1.3
91.05495	2.8
91.63544	0.4
93.07022	0.9
95.01310	0.7
97.02869	0.4
98.97588	0.6
103.05483	1.2
105.07010	1.2
107.05013	0.5
107.08650	0.6
109.02865	0.5
109.06541	0.6
112.64156	0.4
117.03376	3.1
117.06988	0.4
118.04224	0.4
119.04906	1.8
119.08654	0.7
121.06454	0.6
121.10177	0.5
123.00774	1.6
128.06204	0.4
131.04936	2.5
133.02835	0.6
133.06439	0.7
134.03639	2.8
137.02350	0.6
137.05962	1.4
145.02834	2.2
145.06546	0.5
145.10110	0.5
146.03656	2.7
147.04419	2.8
148.05162	0.8
149.02332	0.6
149.05980	1.4
151.03857	0.6
151.07707	0.5
152.01018	2.3
153.01836	1.0
155.04906	6.8
155.06036	0.8
161.05986	2.5
163.07518	0.7
167.05019	0.5
172.05191	1.2
177.05441	1.0
183.04451	5.4
184.05145	0.8
185.06003	0.8
187.07523	2.1
187.23778	0.4
197.05963	0.6
200.04710	1.7
201.05437	0.7
205.10997	0.5
211.03865	4.0
211.37396	0.4
212.04643	1.5
213.05455	0.8
225.05475	1.6
228.04150	2.0
228.94939	0.4
239.03424	5.7
240.04253	0.9
241.04976	1.7
245.08182	0.6
253.04921	0.8
255.02969	0.7
256.03693	10.0
256.06680	0.8
256.07230	0.7
257.04309	0.6
267.02945	0.6
268.03702	1.0
269.04431	1.5
271.06030	84.0
272.06384	1.8
285.03842	0.8
286.04706	2.9
297.07593	0.7
299.05515	32.9
300.06293	6.8
301.07080	10.5
311.05539	0.6
329.06500	0.5
358.62833	0.5
393.18591	0.6
400.58075	0.5
417.09506	0.8
417.24463	0.5
429.09418	0.6
433.12912	0.9
435.19708	1.0
449.12341	3.6
461.06372	0.8
461.12341	8.3
479.13406	100.0
480.13705	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	479.1342
Annotation	Phelligridin F
Peak:m/z	Relative Intensity
51.80834	0.6
54.25971	0.6
61.79001	0.6
64.42854	0.6
70.53964	0.7
70.73495	1.5
73.83044	0.7
74.24712	0.6
88.28964	0.8
89.03910	1.8
91.05508	3.8
95.01338	0.7
98.44915	0.7
103.05469	1.1
105.07056	0.8
115.05492	0.8
117.03397	3.1
118.04139	1.1
119.01227	0.6
119.04940	3.3
122.42247	0.6
123.00791	2.6
130.04066	1.1
131.04936	1.9
134.03647	3.2
137.05980	1.8
139.05353	0.8
144.05737	0.8
145.02837	3.1
146.03638	6.9
147.04378	3.0
148.05162	1.2
149.05933	1.9
151.00203	0.9
152.01035	2.9
153.01836	1.1
155.04945	7.5
155.06090	1.0
156.05702	0.8
161.06001	5.5
163.07559	1.0
169.96585	0.6
172.05144	1.3
177.05431	1.2
183.04445	4.6
184.05188	1.2
185.05946	1.2
187.07538	2.6
196.05206	0.8
200.04694	2.7
207.17818	0.6
211.03918	5.7
212.04707	0.9
212.85051	0.7
213.05450	1.2
223.68629	0.6
225.05510	1.5
228.04199	2.5
229.05058	0.8
230.05824	1.0
239.03366	4.8
240.04185	1.2
241.05011	3.8
245.08044	1.0
253.04877	1.1
255.03038	1.2
255.06606	0.7
256.03677	10.0
256.07306	2.3
257.04449	1.0
267.02881	0.9
268.03836	1.0
269.04489	2.0
271.06027	100.0
272.06375	1.6
285.04050	1.4
285.07397	0.7
286.04706	5.6
297.07724	1.4
299.05524	38.9
300.06277	17.1
301.07077	19.5
310.21097	0.7
333.33865	0.7
446.09921	0.7
449.12299	7.5
461.12366	44.7
462.12683	1.0
479.13416	77.4
480.14154	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
55.05515	1.1
56.96572	1.3
67.05517	2.7
69.03424	1.4
69.07072	2.9
71.58206	1.3
73.41331	0.9
79.05502	3.1
80.94722	0.9
81.03433	1.3
81.07063	3.3
85.02905	1.3
85.91194	0.8
91.05488	3.6
93.07011	1.2
95.01333	1.5
95.04970	1.4
95.08601	2.5
98.97594	2.0
101.18198	0.9
103.05490	2.3
105.07032	6.0
107.04963	3.4
107.08610	1.9
109.02898	1.9
109.10181	1.9
111.08125	0.9
118.04198	2.0
119.04930	1.7
119.08630	1.3
121.06530	2.1
121.10145	1.2
122.23570	0.9
123.00799	5.5
123.04462	0.9
123.11807	1.3
127.03950	1.3
128.06219	1.8
131.04950	2.3
131.08659	1.0
133.06506	4.1
133.10118	1.3
134.03706	1.3
135.04398	5.0
137.02396	1.2
137.05974	2.6
146.03656	2.3
147.04424	3.2
149.06023	1.9
152.01062	3.9
153.01892	1.3
153.05562	1.8
157.84036	0.9
161.06001	3.6
162.03185	3.3
163.03951	2.2
168.05702	1.8
171.08070	10.4
177.05484	4.8
178.06274	2.2
179.07043	1.4
181.06441	1.0
183.08029	2.5
184.05267	3.4
199.07642	1.2
209.06035	3.2
211.07582	2.5
213.05441	1.6
214.06326	1.2
225.05602	1.5
227.03171	1.3
227.07129	2.0
229.08661	4.7
239.07141	1.4
240.04211	2.9
240.07854	2.6
241.05186	1.7
253.05112	1.3
255.06540	100.0
256.07126	3.4
269.04492	1.9
270.05280	1.2
271.06152	4.0
281.07977	1.6
283.06033	39.6
284.06818	17.7
285.04434	2.1
285.07578	34.4
299.05716	2.6
299.09055	1.3
299.75336	1.0
300.05927	1.2
301.07147	1.3
305.07468	1.4
313.07053	1.3
321.07538	2.5
339.08820	1.1
429.09656	1.3
447.11267	1.4
449.12326	6.3
461.05710	1.6
461.12216	30.2
461.18262	1.5
479.13489	87.0
479.20218	9.0
479.29245	2.5
480.14063	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	479.1189
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03930	0.8
57.03432	0.9
57.22039	0.5
61.02912	1.9
69.03436	4.0
70.90729	1.4
71.90185	0.6
73.47202	0.5
81.03403	1.6
85.02908	9.3
91.03957	0.5
92.02622	1.5
93.03395	1.2
97.02897	3.6
99.04469	0.9
109.02872	1.3
109.10191	0.5
121.02948	1.2
127.03925	1.3
138.69673	0.5
139.03926	1.1
145.04916	1.4
151.03908	1.1
153.01843	8.5
155.05084	0.6
165.01843	0.6
193.39136	0.5
196.18004	0.6
201.05489	0.9
217.04912	1.1
218.05750	0.7
228.04178	1.8
229.04973	4.1
245.04547	1.9
246.05287	1.8
257.04453	2.8
273.03995	2.0
274.04724	4.3
284.03168	0.6
285.03946	4.6
302.04269	13.4
317.06583	100.0
318.06830	2.1
429.87918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91588	6.4
67.05513	17.6
69.07053	24.0
71.59108	7.8
74.51951	8.1
79.05492	7.9
81.07059	71.2
83.08618	9.6
91.05486	9.7
93.07034	39.4
95.08614	47.7
105.07038	34.6
107.08596	45.4
109.10176	46.4
119.08599	29.2
121.10166	18.4
123.11710	100.0
131.08533	8.0
133.10123	15.9
135.11723	56.1
147.11702	33.0
149.13287	31.9
161.13206	11.3
163.14798	7.9
198.31801	7.4
203.17967	38.5
205.19527	90.0
259.09750	13.6
263.82187	7.0
288.77570	6.7
478.33804	14.5
479.34610	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	479.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.05519	0.2
57.03427	0.6
59.93179	0.2
61.02928	6.5
65.03934	0.4
67.05486	0.5
68.99776	0.2
69.03433	2.1
69.07056	0.6
71.04971	0.2
71.57738	0.2
73.02924	1.5
73.97543	0.2
77.26228	0.2
79.05470	0.5
81.03409	0.8
81.07069	1.2
83.08605	0.3
84.01645	0.2
85.02905	7.3
85.06530	0.6
91.03954	3.3
91.05469	0.3
92.02617	1.0
93.03397	1.3
93.07038	0.8
95.08608	1.1
97.02893	4.0
97.06499	0.2
99.04435	0.8
99.08077	0.3
101.02415	0.3
105.01833	0.5
105.07019	0.3
107.08582	1.0
109.02874	0.8
109.10159	0.6
111.08018	0.3
113.09666	0.3
115.03882	0.4
116.85778	0.2
119.08575	0.3
119.75080	0.2
121.02864	1.2
121.10129	0.8
122.09619	0.2
125.06007	0.2
126.03104	0.4
127.03926	1.7
133.10112	0.3
135.04437	0.3
135.11678	0.5
137.02289	0.4
138.46164	0.2
139.03929	1.2
139.11111	0.2
145.04956	0.6
151.03908	1.2
153.01825	8.8
165.01830	0.6
177.16379	1.4
183.02888	0.2
200.04669	0.3
201.05508	1.1
203.03383	0.7
217.04919	1.2
218.05774	0.5
228.04227	1.5
229.04950	4.1
231.02850	0.6
245.04451	1.8
246.05208	1.6
256.03683	0.3
257.04437	2.6
260.03079	0.3
261.07480	0.3
273.03937	2.1
274.04691	4.5
281.24756	0.3
284.03137	0.4
285.03958	5.1
288.06473	0.3
299.25766	0.3
300.06250	1.1
301.06540	1.0
302.04150	13.1
302.06918	1.0
303.04620	0.3
315.05069	0.3
315.08557	2.8
316.08981	2.4
317.06516	100.0
318.06784	1.6
329.06592	0.7
359.07681	0.6
369.63071	0.2
383.07416	0.3
408.61133	0.3
434.37161	0.3
443.65140	0.2
461.10394	0.3
479.17685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43924	1.2
52.96478	1.3
53.03938	2.9
55.01863	2.0
55.05520	8.3
56.05028	6.3
56.96569	2.8
57.03422	4.7
60.04531	88.1
61.02918	3.0
67.05511	13.5
69.03429	9.7
69.07076	9.6
69.85836	7.8
69.86169	1.7
71.04988	2.2
72.04505	5.3
73.02930	1.8
74.06078	6.5
79.05500	8.1
80.05003	1.7
81.03416	5.1
81.07053	13.8
81.87801	1.5
82.06586	2.7
83.04990	2.7
83.08614	3.3
84.04514	5.2
85.02903	13.8
86.06068	4.2
91.03957	1.6
91.05482	6.4
93.07027	8.0
95.04980	3.1
95.08612	12.9
97.02921	6.9
97.10137	4.0
98.06104	1.8
98.20789	1.8
98.97568	1.6
99.04439	2.2
102.05532	5.9
104.07124	1.8
105.07033	6.4
106.07348	1.5
107.04986	2.1
107.08583	5.9
109.02857	3.4
109.10160	4.6
117.07043	1.8
119.08580	5.2
121.10143	5.0
123.11689	1.7
127.03909	4.2
133.10121	3.4
135.11694	2.6
145.10136	1.8
175.83752	1.4
206.10222	4.4
224.11320	7.0
234.15759	1.3
250.25354	2.3
262.25446	1.7
280.26346	10.7
285.10342	2.0
298.27469	12.1
299.05569	2.2
316.28491	100.0
317.28830	4.2
340.28284	2.4
358.29526	5.9
368.22891	2.3
400.16925	1.9
442.31906	2.7
446.17307	9.2
460.27249	2.8
460.32727	5.5
478.19403	2.6
478.27957	2.6
478.33804	42.3
479.20688	2.3
479.33942	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2933
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.47442	0.5
55.01852	0.6
55.05512	4.7
57.07066	0.6
62.06071	0.8
67.05502	6.1
69.07069	4.7
71.34676	1.3
79.05495	2.2
79.49081	0.6
81.07069	7.2
83.08615	1.9
85.05302	1.2
90.30357	0.6
91.05480	1.4
93.07019	2.4
93.51572	0.6
95.08612	3.8
98.06067	10.3
98.98454	1.8
105.07028	1.2
107.08601	1.2
109.10161	1.5
112.07615	1.8
114.77412	0.7
119.08553	1.1
121.10153	0.8
123.11678	0.8
145.10150	0.8
306.27927	100.0
307.28345	2.9
317.18085	0.7
332.62198	0.6
371.70090	0.6
461.26355	0.7
478.26855	1.2
478.35449	0.9
479.27573	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	478.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89692	0.6
53.03956	0.9
55.05516	9.7
57.03440	6.8
57.07062	2.0
58.06583	1.4
62.06080	1.0
65.03944	0.7
67.05507	26.8
68.05817	0.6
69.06719	1.1
69.07072	15.3
71.04980	0.8
71.56077	0.6
71.56458	0.6
79.05502	5.9
81.07059	24.2
83.04976	0.8
83.08621	6.8
87.04514	0.5
91.05479	5.0
93.07047	6.8
95.05027	0.6
95.08612	19.0
97.06499	1.0
97.10162	3.9
99.08117	0.8
102.09180	1.4
105.07035	4.5
107.08614	4.5
107.25553	0.7
109.06580	0.8
109.10167	7.1
111.11683	0.6
114.35487	0.5
119.08583	3.6
121.10142	3.2
123.11699	2.5
125.09589	0.7
128.07048	1.2
133.10112	3.2
135.11685	2.1
137.13243	0.9
146.08105	1.1
147.11639	1.4
149.13309	0.9
161.13359	1.2
163.14780	0.8
172.33740	0.5
175.14767	0.9
179.07024	0.7
205.05148	0.8
217.08267	0.6
263.23755	1.2
306.27951	2.1
337.27380	100.0
338.27747	2.4
374.14487	0.6
440.99652	0.6
447.23434	0.6
461.27600	0.9
478.27982	0.7
478.35062	3.0
479.29855	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53487	5.6
50.59283	5.3
53.03936	13.5
55.01878	8.0
55.05503	15.1
57.07066	19.8
59.69290	6.5
67.05506	7.4
69.03441	39.6
69.07072	97.7
70.20619	22.4
73.02918	10.3
74.78403	5.5
81.03407	23.2
81.07053	14.0
83.08612	8.7
85.02911	100.0
87.00821	48.3
93.07051	8.7
95.08590	19.2
97.02888	35.6
97.06528	6.2
97.10181	14.5
99.04425	13.9
105.01861	68.9
105.07027	11.2
107.08596	10.5
109.02893	45.0
109.10204	8.6
111.08072	10.7
111.11729	31.2
111.46639	5.4
112.07559	5.7
119.08611	10.1
121.10141	18.7
125.09624	8.4
127.03909	80.0
137.13303	12.0
139.11217	40.5
145.04964	21.7
150.15736	6.1
159.02805	7.6
177.05496	6.4
177.16376	46.3
177.42937	5.6
195.17476	71.9
213.03946	10.9
213.18513	57.6
231.05016	25.5
414.45459	6.3
416.24356	18.7
435.19870	12.0
460.27118	10.8
478.28094	9.2
479.18967	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2933
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.01870	2.7
55.05516	19.0
56.96586	2.7
57.03434	6.3
58.90306	2.0
62.05828	2.7
62.06096	32.8
67.05510	33.1
69.07070	19.8
69.77203	11.4
71.04984	2.9
72.15639	2.0
76.59124	2.3
79.05492	12.2
81.07059	39.4
83.08624	8.1
86.48999	2.6
87.23044	2.6
91.05479	11.8
93.07052	13.7
93.82430	2.2
95.04936	3.1
95.08609	27.6
97.06519	3.9
97.10183	5.2
98.06081	10.6
98.98454	10.4
102.09176	3.2
105.07014	7.7
107.04964	3.5
107.08585	6.8
109.10164	11.3
119.08572	5.6
121.10172	4.3
123.11731	3.9
133.10184	4.3
134.79289	2.0
135.11678	5.2
145.10165	4.0
151.07526	9.1
152.07907	2.7
155.01088	5.0
159.11720	2.6
179.07022	17.3
180.07344	8.6
205.04988	4.7
263.23752	4.6
306.27917	100.0
307.28217	2.8
337.27380	93.1
386.24298	4.2
406.31146	2.2
460.27756	6.9
478.19272	9.8
478.25781	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	478.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
53.49925	0.6
55.01880	0.9
61.02924	0.9
62.92536	0.7
66.21698	0.6
69.03422	2.7
70.06571	1.0
71.05022	0.8
71.55708	1.4
72.08146	1.4
79.05488	2.7
81.03403	2.9
81.07050	1.1
82.06579	0.7
84.08125	1.4
85.02919	6.1
86.09686	1.1
87.00833	2.3
88.23215	0.7
91.05480	1.9
95.04978	1.7
97.02888	2.8
99.04449	1.5
102.05573	0.7
103.05468	2.6
105.01871	1.8
105.07042	3.4
107.04964	24.9
108.04510	1.0
109.02881	1.8
111.04443	0.7
114.46140	0.7
115.05471	1.2
119.08614	0.7
119.58572	0.6
121.06495	1.4
127.03906	3.0
128.07040	2.1
131.52647	0.7
134.93379	0.7
135.08070	11.6
136.08420	0.7
137.05925	0.8
145.04987	1.3
145.06566	1.1
147.04446	1.4
154.06265	2.7
159.02937	1.2
163.07573	16.9
167.07053	14.4
177.05539	0.7
180.07779	1.6
195.10184	100.0
196.10489	1.0
248.07823	0.7
272.07764	0.7
298.07996	1.2
302.70554	0.8
434.20724	1.4
478.20068	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	478.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78304	1.0
55.01870	1.2
56.96320	1.6
56.96567	16.0
57.03436	1.9
61.02926	2.6
66.61006	1.2
69.03446	7.9
69.42058	7.2
70.06592	1.6
71.95282	1.1
72.08147	3.8
73.02911	2.6
81.03421	3.0
84.08121	1.2
84.96032	5.2
85.02917	17.9
86.06084	1.6
86.09727	1.2
87.04496	2.4
91.05470	2.0
96.08137	2.2
97.02907	10.9
98.09703	1.6
98.21500	2.1
98.97591	100.0
99.04481	1.8
99.97897	1.3
102.96945	1.8
105.07044	1.3
107.04964	2.5
109.02893	2.9
109.06501	1.2
110.97580	11.8
111.04437	1.7
112.07610	1.9
112.99148	4.8
114.09165	2.7
115.03908	1.9
116.98634	38.5
119.04936	1.4
121.06519	3.5
122.74946	1.1
124.99191	2.1
127.03915	4.5
128.98593	11.7
130.08635	2.6
131.00172	5.0
133.01765	1.2
134.99666	8.8
136.01472	1.0
137.05991	5.3
138.05414	1.3
138.09161	1.0
140.00195	1.6
140.06996	1.8
140.98572	1.8
141.02264	1.1
142.08673	1.9
143.00171	7.2
144.98129	1.9
145.01723	2.5
145.02803	1.3
145.04964	2.1
146.99654	4.8
147.03290	1.7
147.04405	2.4
148.03938	5.0
149.01221	2.9
152.98703	1.4
154.08629	2.0
155.00214	1.4
156.03331	4.0
157.01726	1.4
157.05016	1.6
158.99677	37.7
159.03238	5.7
160.09665	4.8
161.01201	6.8
161.05919	1.3
162.99152	1.4
163.02803	2.0
163.04068	1.4
166.05022	11.7
167.06989	1.9
168.03374	3.9
170.99661	5.6
174.04385	4.8
176.99355	1.8
177.00752	25.8
177.04333	5.6
177.05678	1.8
183.03342	3.2
184.06062	10.5
185.04822	1.3
186.04410	13.6
187.02882	5.7
189.00687	4.3
189.04239	1.5
191.02289	2.2
195.01820	2.2
201.00797	5.7
201.04361	11.8
203.02251	1.2
203.05902	3.2
204.05460	9.9
205.03835	3.8
213.04344	1.8
214.95526	1.3
215.02200	2.3
219.01788	39.3
219.05118	6.4
219.07317	1.1
228.05438	6.5
229.03740	3.6
233.03328	1.8
235.02831	2.3
237.02815	41.9
237.05112	2.1
238.01399	1.3
240.05566	1.5
242.07019	1.8
243.05457	9.0
246.06543	3.2
247.04897	2.3
253.03818	1.8
261.02847	2.8
270.11273	22.1
271.04834	1.8
272.08008	1.6
275.04337	2.8
276.07379	1.2
279.03766	3.0
285.06638	1.2
286.08313	1.5
288.07520	1.8
289.05893	2.7
290.09140	3.0
293.05457	2.5
295.04514	1.8
298.09958	3.2
303.07471	12.9
307.07004	2.6
309.08609	1.2
316.11523	1.6
316.18918	1.5
321.08603	13.7
323.06516	1.5
330.08508	3.6
331.07098	4.4
346.11469	3.3
349.08072	41.7
351.09073	1.2
360.09897	1.3
367.09155	57.3
378.91959	1.1
385.10208	2.9
390.10812	2.5
415.09000	3.2
432.15970	8.8
478.08685	4.6
478.16153	37.9
478.23386	6.4
479.10617	1.4
479.16879	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	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01872	6.6
55.05257	1.7
55.05514	25.1
56.96556	1.4
57.03445	6.7
59.05002	1.1
63.92618	1.3
65.03934	1.7
67.05164	1.8
67.05507	25.9
69.03424	4.1
69.07064	7.5
69.74542	3.3
69.74940	2.0
71.04988	2.8
71.74014	1.1
74.31286	1.0
76.31100	1.0
79.05494	31.4
81.02976	1.9
81.03425	29.5
81.07059	22.3
83.04977	4.5
83.08619	18.3
85.02916	5.2
85.06547	1.9
89.03918	2.7
91.05486	29.9
93.07050	17.6
95.04982	13.5
95.08615	11.5
97.06540	4.1
97.10172	23.2
98.20741	1.3
98.97581	1.6
103.05454	2.9
105.04519	1.7
105.07039	16.9
107.04961	14.5
107.08597	14.0
108.08923	1.2
109.06524	5.8
109.10170	7.5
111.08125	5.0
115.05460	3.1
117.03378	10.8
117.07035	7.5
118.04177	1.2
119.04943	5.3
119.08587	12.9
121.06516	13.8
121.10159	3.7
123.04404	1.9
123.08070	4.4
123.11707	2.2
125.05982	1.6
125.09634	15.8
128.06210	1.8
129.07018	13.0
131.04938	3.7
131.08591	9.1
133.06491	6.0
133.10127	4.6
135.04413	1.4
135.08023	5.3
135.11684	2.2
137.05969	2.5
137.09630	2.3
141.07001	3.3
142.07805	1.3
143.08575	5.0
145.02794	2.6
145.06497	10.9
145.10132	6.7
146.03624	7.9
147.04428	5.7
147.08109	5.5
147.11702	4.7
148.05112	1.2
149.05963	1.6
149.09654	3.5
149.13234	1.2
151.07634	2.2
153.09100	3.9
153.12740	1.2
155.04916	12.3
155.06027	1.6
155.07384	1.0
155.08586	4.7
157.06523	3.1
157.10139	7.0
158.07312	1.2
159.08089	2.2
159.11719	2.9
161.06000	7.5
161.09621	2.6
163.07620	1.3
163.11201	1.9
165.09093	2.4
167.08597	1.4
168.05815	1.7
169.06496	1.3
169.10101	1.8
169.55486	1.0
171.04367	1.9
171.08095	3.3
171.10249	2.4
171.11734	5.0
173.09618	2.5
173.13231	1.4
175.11192	4.7
181.10158	1.6
183.04437	11.0
183.11696	1.3
184.05177	1.9
185.05998	4.5
185.09674	2.2
187.11198	1.4
187.14896	1.9
189.09686	1.7
189.11241	8.8
189.12773	2.4
193.12251	17.5
196.05247	1.3
197.13268	1.6
199.11272	3.0
203.14317	1.1
205.12241	2.5
209.09636	1.4
211.03941	8.5
211.11453	1.3
211.13142	5.0
212.04684	3.2
212.26624	1.2
213.05627	1.4
215.14371	3.7
217.12283	1.7
223.03934	1.6
223.11331	1.3
227.12675	6.2
227.14691	1.4
231.13875	1.7
233.15453	7.1
239.03400	17.4
240.04308	2.6
241.04990	6.8
241.14400	1.6
249.14978	2.4
254.05846	1.9
255.13902	2.1
267.03055	1.3
267.15927	15.9
268.03714	2.7
269.04465	100.0
270.04858	2.0
271.16971	1.6
273.14764	8.4
291.15970	1.6
297.03943	41.5
298.04761	15.2
299.05524	19.0
331.20624	1.4
339.23196	4.5
349.21591	9.0
357.24509	5.2
367.22711	20.6
385.23749	39.8
386.23846	1.3
403.24857	11.3
433.25793	3.3
441.26300	3.1
447.10907	7.8
459.10809	44.4
459.27457	33.3
460.11124	1.9
460.27652	1.9
469.23300	1.1
477.11853	66.0
477.28369	20.7
478.12186	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	477.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
55.01876	12.7
55.05264	4.2
55.05516	69.3
57.03436	11.4
59.04995	2.0
65.03939	4.1
67.05512	49.8
69.03442	10.2
69.07063	14.0
70.69252	4.0
70.69633	3.4
71.05012	3.2
77.03931	2.3
79.05500	68.9
81.03424	20.8
81.07063	50.6
83.04997	12.3
83.08631	34.2
85.06554	3.2
91.05488	33.6
93.07058	29.8
95.04975	21.3
95.08615	22.1
97.06538	6.9
97.10180	50.5
105.07037	30.1
107.04282	2.9
107.04971	35.2
107.08600	29.7
109.06525	11.0
109.10158	11.8
111.08086	7.8
113.06030	3.8
113.29329	2.2
115.05408	4.2
117.07016	20.3
119.04989	2.8
119.08572	18.2
121.06528	31.8
121.10137	8.0
123.04470	3.7
123.08051	10.6
123.11704	2.4
125.05974	3.0
125.09642	39.1
128.06241	4.2
129.07001	14.8
130.93398	2.5
131.04942	6.2
131.08577	18.7
133.06476	12.5
133.10144	8.5
135.04404	2.8
135.08078	12.4
135.11714	2.7
137.09613	2.6
141.06975	5.6
142.07811	3.6
143.08577	8.3
145.06491	24.2
145.10124	12.9
147.04433	5.7
147.08115	9.7
147.11662	10.7
149.09628	6.7
149.13298	2.2
153.06995	2.4
153.09143	12.8
153.12663	2.4
155.08569	7.4
157.06537	5.5
157.10139	7.1
159.08055	6.7
159.11758	4.3
161.05966	5.2
161.09630	6.5
161.13287	3.4
163.11214	4.4
165.09187	5.8
169.10124	5.3
171.08102	3.8
171.10275	5.0
171.11720	6.7
173.09631	5.1
173.13220	2.8
174.65671	2.2
175.11200	7.4
177.12822	4.8
181.10147	4.2
183.11688	2.4
185.09566	3.1
185.13289	4.9
187.11172	4.3
189.11232	23.7
189.12823	6.8
193.12267	13.6
195.11734	2.7
197.09656	2.6
197.13298	5.6
199.11203	9.0
203.14291	2.2
205.12254	4.9
211.11195	2.8
211.13217	3.2
213.12738	5.6
215.14336	6.3
217.12201	4.7
219.11581	2.4
225.12636	4.1
227.12749	6.5
227.14580	3.6
231.13753	3.5
233.15338	15.6
237.12799	4.6
239.14146	3.2
241.14308	5.0
255.13901	3.1
257.15479	4.0
259.13531	2.4
267.15967	6.9
271.16937	2.8
273.14783	18.6
287.16510	2.7
291.15997	3.8
321.22079	3.9
331.20514	2.7
339.19461	2.2
339.23096	10.5
349.21585	21.5
357.24380	11.4
359.22122	2.9
367.22733	61.0
368.23227	2.9
385.23801	100.0
386.24194	2.2
403.24890	25.5
433.25687	2.6
441.26395	10.1
459.27454	64.6
460.27924	2.8
477.28531	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
55.05511	2.8
57.54692	1.1
57.75860	1.2
58.40915	1.2
67.05491	5.3
67.11828	1.2
69.07072	17.6
71.56632	2.3
79.05489	3.0
81.07043	5.5
83.37646	1.1
91.05482	6.1
93.07017	3.0
95.08591	3.6
105.07046	26.5
107.08599	3.4
109.10176	11.1
111.58451	1.3
117.07014	4.9
119.08585	39.8
121.06413	1.2
121.49896	1.3
130.07768	4.0
131.04958	1.3
131.08601	5.7
133.10118	4.0
135.08046	2.0
135.11702	1.3
143.08563	2.6
145.10135	31.5
155.08556	4.4
157.10036	1.5
158.07309	2.5
159.08047	2.5
159.11699	4.4
173.05913	1.7
173.09464	1.6
175.03909	3.4
183.08002	2.1
185.05978	2.4
195.08017	1.7
198.06776	1.8
201.09082	1.3
201.16399	11.8
203.07034	2.8
211.07556	23.0
213.09042	3.2
214.06190	3.8
215.07056	2.3
218.15160	1.2
224.52667	1.2
229.08609	23.6
239.07069	8.4
241.08623	10.1
242.05804	2.8
243.06555	3.4
244.07382	5.7
257.08112	47.4
259.09680	100.0
294.09341	1.2
307.13275	4.2
349.14316	1.8
377.17441	4.0
403.19257	1.9
459.25351	12.9
477.26135	3.7
477.33334	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	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01876	13.1
55.05515	67.4
57.03439	10.5
62.54111	1.3
65.03934	3.1
66.68338	1.5
67.05507	52.3
69.01441	1.4
69.03430	7.9
69.07071	14.2
71.04993	3.2
79.05496	56.4
79.05961	3.0
80.77988	1.4
81.03417	16.9
81.07060	49.4
83.04980	11.8
83.08620	31.1
85.02879	2.0
85.06564	2.5
85.86800	1.4
89.39729	1.6
91.04960	2.5
91.05484	34.1
93.03409	1.9
93.07053	29.8
95.04979	19.4
95.08614	21.0
97.02894	3.6
97.06542	9.1
97.10175	55.7
98.20764	3.1
105.07035	29.2
107.04964	33.8
107.08605	34.0
109.06511	9.9
109.10172	10.6
111.04433	2.4
111.08092	5.1
113.06081	2.1
115.05424	3.2
117.07036	17.5
118.60245	1.4
119.04987	3.3
119.08577	13.9
121.06516	26.2
121.10163	8.4
123.04440	2.1
123.08056	12.4
125.05994	2.9
125.09637	38.9
128.06235	3.3
129.06998	16.1
131.04926	6.8
131.08578	17.8
133.06473	10.7
133.10170	10.0
135.08044	11.8
135.11717	5.2
137.05986	2.1
137.09605	3.3
141.06998	6.4
143.08575	11.3
144.73242	1.9
145.06497	21.2
145.10141	11.4
147.04425	4.4
147.08064	7.7
147.11688	10.1
149.09648	5.0
149.13373	1.8
151.07545	2.8
153.09113	10.0
153.12735	4.1
155.08527	7.2
157.06499	5.0
157.10112	8.7
159.08037	7.2
159.11694	5.4
161.05986	3.4
161.09637	5.3
161.13252	1.8
163.11218	4.2
165.09138	6.6
167.08562	3.5
169.10114	6.3
171.08096	5.3
171.10240	3.4
171.11703	6.4
173.09625	5.2
173.13292	2.8
175.07518	1.9
175.11150	7.7
177.05528	1.8
177.12723	3.4
181.10080	2.5
183.08118	2.4
183.11665	2.1
185.09601	5.2
185.13188	3.0
187.11151	5.4
187.14850	3.7
189.09232	2.6
189.11232	26.0
189.12791	3.9
193.12212	13.6
195.07997	1.5
195.11720	3.8
197.09647	2.2
197.13269	6.1
199.11208	6.3
201.12804	1.9
205.12274	2.9
209.13269	2.5
211.11195	2.4
211.13242	3.6
213.12849	4.0
215.14291	6.7
217.12257	6.5
223.13297	3.8
225.12656	2.3
227.12753	5.3
231.13766	2.3
233.15378	13.8
235.13316	2.0
237.12779	3.8
241.12198	2.2
241.14226	8.2
243.13815	2.0
245.15338	4.4
249.14911	3.3
251.14523	1.6
255.13898	5.0
259.13321	4.0
267.16046	3.1
269.15317	1.7
271.17023	2.6
273.14868	21.8
275.16498	3.6
287.16504	3.5
289.17960	2.9
291.16083	4.2
321.22037	2.3
331.20908	1.9
339.23135	8.4
347.18408	2.7
349.21649	22.5
357.24200	10.3
367.22696	60.1
368.22699	2.2
385.23740	100.0
386.24341	2.8
403.24863	26.3
423.25485	2.8
441.26523	9.5
459.27399	56.8
460.27731	3.2
477.11569	2.9
477.28598	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05499	1.2
56.43904	0.4
59.05008	3.9
65.03921	0.5
67.05498	1.4
67.68342	0.4
69.06723	0.7
69.07076	11.3
69.08822	0.4
69.47502	0.5
69.63940	0.4
69.98139	1.7
79.05487	3.2
81.07066	2.6
91.05491	7.8
92.17646	0.5
93.07034	2.7
95.04957	0.5
95.08619	2.8
103.05456	1.6
105.07034	47.3
106.07381	0.5
107.07970	0.4
107.08589	2.6
109.10146	2.0
111.11719	0.6
115.05435	0.5
117.07021	4.8
119.08588	79.6
120.08911	1.0
121.10158	1.2
128.31491	0.4
131.08510	0.7
133.10133	7.4
135.11708	0.4
145.10085	0.6
147.11696	4.8
155.52365	0.5
159.11719	0.5
161.05952	0.8
161.13307	1.8
171.48705	0.4
175.03928	1.5
175.07539	3.1
177.05498	0.4
179.18573	0.4
187.03944	0.8
189.05479	0.7
203.07008	0.9
203.17955	9.2
205.05002	0.8
206.05849	0.5
210.36601	0.5
217.04979	16.0
219.06583	1.0
229.08644	2.3
233.08104	1.3
239.06905	0.5
245.08084	8.9
257.08096	15.0
258.08682	0.4
259.06082	1.3
259.09659	1.1
259.87561	0.5
260.06693	2.7
273.07571	11.3
275.09152	100.0
276.09592	1.7
280.70483	0.4
352.03519	0.4
353.13803	1.1
421.19965	0.6
447.65765	0.4
459.25644	0.7
477.26382	18.6
503.53687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.9
56.08204	0.6
57.07071	1.3
63.41081	0.6
65.03943	0.7
67.05498	6.7
69.07070	4.2
70.53091	2.0
71.04978	0.7
71.08628	1.4
79.05487	1.8
81.07064	3.9
83.08609	0.8
86.76018	0.6
91.05492	6.9
91.78311	0.6
93.07025	2.7
95.08596	2.3
98.20774	0.7
101.02424	0.6
101.37196	0.6
103.05520	0.7
105.06385	1.1
105.07040	19.5
107.08598	2.3
109.10168	8.3
115.05460	0.8
117.07018	7.0
119.08587	30.8
121.10184	1.0
123.11679	0.9
129.06998	1.5
130.07768	3.5
131.08577	9.0
133.10121	3.3
143.08592	1.8
144.09312	0.8
145.10129	60.2
147.11636	0.9
152.26643	0.6
155.08551	1.1
157.10136	1.1
158.07368	1.1
159.11707	11.9
161.06001	1.2
167.08582	0.8
171.11658	0.7
173.09631	0.8
173.13269	1.6
175.03876	1.8
183.08037	0.7
185.05983	1.7
187.04042	0.7
189.05536	1.0
195.08096	1.2
201.05531	0.7
201.09186	1.1
201.16388	17.4
203.03540	0.6
203.07047	3.2
211.07565	10.2
213.09074	2.9
214.06262	1.3
215.06998	0.8
217.04962	0.8
219.17410	1.0
227.07080	1.4
229.05045	1.8
229.08586	16.1
239.07071	6.1
241.08656	8.6
242.05792	2.4
243.06583	3.4
244.07367	4.3
257.08093	36.0
258.08661	1.6
259.09677	100.0
260.09842	1.2
263.57217	0.8
349.14340	2.3
351.16068	1.2
375.15823	2.0
377.17303	4.9
391.18835	1.1
403.18967	1.0
441.24615	1.1
459.25320	25.1
467.04471	0.7
477.26364	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	477.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98940	0.7
55.05504	1.6
67.05504	4.0
69.06719	1.2
69.07069	13.3
71.31871	1.3
79.05474	1.6
81.07061	4.5
83.08601	1.2
91.05493	4.4
93.07037	2.5
95.08609	2.3
103.05486	0.9
105.07038	20.9
105.07744	1.1
107.08567	1.4
109.10161	8.9
115.05511	0.7
117.07025	3.9
119.08582	27.4
121.06469	0.9
121.10191	0.9
123.11675	0.9
125.05962	0.9
130.07770	1.8
131.04961	0.8
131.08592	3.4
133.10129	2.9
135.08093	1.4
137.05956	1.7
141.07040	0.7
143.08549	0.8
145.10123	26.2
147.11748	1.0
155.08554	2.3
157.10178	0.8
158.07285	2.2
159.04430	0.8
159.08080	1.7
159.11716	3.2
161.05963	0.9
167.07092	1.0
175.03893	2.4
182.21950	0.7
183.08031	1.8
185.06012	1.4
187.07474	0.7
189.05510	1.1
195.08061	1.9
197.06097	0.8
198.06685	0.7
201.09160	1.0
201.16377	9.9
203.07008	1.6
203.18034	0.9
205.04935	0.9
211.07559	17.2
213.09041	3.6
214.06326	2.3
215.07013	1.7
220.94063	0.7
229.05011	1.5
229.08603	21.8
239.07005	9.7
241.08585	8.6
242.05768	3.7
243.06541	3.2
244.07333	5.4
257.08102	60.7
258.08334	1.2
259.09674	100.0
260.10068	1.4
307.13242	3.4
319.79172	0.6
349.14175	1.4
351.16104	1.2
368.06534	0.7
377.17499	2.0
391.19116	1.1
391.46320	0.7
403.19174	2.2
417.33530	1.3
441.24490	1.1
459.25275	12.9
477.21863	4.9
477.33560	3.3
478.52539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48854	1.3
51.50338	1.3
53.03958	1.7
55.05508	2.5
57.07074	2.1
59.10885	1.4
67.05516	11.8
68.77085	1.6
69.03436	1.4
69.07064	6.6
71.08647	2.3
71.18091	2.4
71.18433	1.7
79.05492	3.8
79.54116	1.4
81.07053	6.3
91.05498	11.6
93.07057	5.9
95.08618	4.6
96.52526	1.4
105.07039	21.8
107.08604	5.3
108.04773	1.4
109.10161	16.4
117.07046	9.3
119.08595	52.0
121.10158	2.8
123.11686	1.7
129.06990	2.9
130.07776	5.2
131.04916	2.3
131.08586	13.0
133.10158	2.8
143.08502	2.2
145.10135	78.8
147.11632	1.5
152.02443	1.5
155.08524	2.5
157.10124	2.5
159.08124	1.7
159.11699	19.2
173.05994	1.8
175.03920	4.0
183.08078	1.7
185.05988	1.7
195.08116	2.1
201.16412	28.8
203.07094	5.6
211.07578	18.8
213.09172	5.2
214.06212	2.7
217.05026	2.9
219.17407	2.9
229.05000	3.1
229.08603	22.6
239.07004	8.0
241.08580	12.0
242.05748	2.9
242.97668	1.8
243.06505	4.4
244.07314	8.0
253.08754	1.7
253.40173	1.5
257.08115	46.3
258.08807	2.1
259.09683	100.0
260.09891	1.9
271.09790	2.4
349.14429	3.5
351.16284	2.0
377.17484	11.9
459.25381	47.0
477.26416	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	477.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39095	4.7
53.03953	10.0
55.01854	5.1
55.05520	10.5
57.03426	9.6
57.07056	5.4
67.05510	27.0
68.99778	8.1
69.03429	40.1
69.07072	21.6
69.30168	9.2
69.30579	31.4
70.06613	5.2
71.04978	16.2
75.44940	4.0
79.05463	10.0
81.03437	28.2
81.07075	32.9
83.04976	10.1
83.08629	9.8
85.02914	64.9
85.06532	9.3
87.00823	26.8
91.05498	8.2
93.07066	21.9
95.04980	9.0
95.08608	62.1
97.02918	29.6
97.06522	7.2
99.04445	18.7
105.01876	31.4
105.07024	24.7
107.08605	31.5
109.02891	34.5
109.06509	13.9
109.10161	44.3
111.08114	5.1
119.08583	62.6
121.10151	8.0
123.08066	11.3
123.11724	42.7
125.09669	10.7
127.03934	61.6
133.10153	26.7
135.11716	52.5
137.09625	20.0
139.11189	4.8
145.04962	9.3
147.11664	5.6
149.13258	11.3
151.14870	5.0
159.02911	6.2
175.14850	87.9
189.05502	8.2
193.15883	100.0
195.10219	6.2
211.16948	82.4
213.03928	9.9
217.09238	4.5
231.04984	14.5
234.37733	5.7
315.08667	35.0
449.38611	4.9
485.57260	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	477.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01336	2.0
53.03947	4.8
55.01857	2.9
55.05509	7.3
57.03426	2.1
61.17945	1.8
64.02879	2.0
65.03912	2.6
67.05492	8.5
69.03427	17.7
69.07070	7.4
70.06608	11.0
71.04996	6.0
79.05514	6.0
80.64926	1.9
81.03403	8.5
81.07047	16.7
83.04971	4.2
84.08140	6.8
85.02915	17.6
85.06541	4.1
87.00838	10.4
87.04468	3.3
91.05489	6.1
93.07067	11.5
95.04985	2.7
95.06130	2.9
95.08618	15.6
97.02904	10.5
97.06522	3.1
97.10202	2.3
99.04465	1.9
99.08089	3.6
105.01867	7.7
105.07054	11.5
107.08622	13.8
109.02873	7.4
109.10153	18.7
119.08593	21.5
121.10127	6.8
123.05591	3.1
123.08061	4.6
123.11702	12.0
125.09628	9.4
127.03972	13.6
131.08562	3.7
133.05005	2.3
133.10147	34.6
135.11699	26.5
137.06007	2.4
137.09627	6.9
139.11195	2.5
145.04936	3.0
148.05205	12.2
149.13272	2.9
151.11142	2.5
151.14882	2.6
152.01082	6.0
163.14705	2.1
165.10272	25.0
165.16389	2.7
166.08775	2.4
167.03423	6.2
175.14851	30.5
183.11359	11.0
193.15897	40.8
201.12462	5.0
209.15384	3.3
211.16966	26.6
229.18018	17.1
231.05080	2.6
300.06305	27.7
315.05283	3.9
315.08627	100.0
316.08951	3.7
411.11554	2.2
420.74097	2.0
433.20590	7.4
440.73843	2.3
477.18365	9.6
477.24454	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01875	3.2
55.05511	21.1
57.03435	2.9
57.07077	4.1
59.04999	3.9
60.28721	1.3
65.03941	1.7
67.05510	18.0
68.99783	1.6
69.03438	18.1
69.07078	11.2
69.16563	1.3
71.04994	6.8
71.32938	1.5
71.33266	2.8
79.05479	8.1
81.03419	12.2
81.07061	17.4
83.04980	22.2
83.08627	17.0
85.02906	21.8
85.06543	13.8
87.00848	8.1
87.04448	2.6
91.05485	4.8
93.07052	11.3
93.08655	1.3
95.04961	8.0
95.08615	11.4
95.43298	1.2
97.02905	5.7
97.06537	4.1
97.10168	5.8
99.04455	5.2
99.08076	7.4
101.06055	2.0
105.01878	2.8
105.07054	8.2
107.04954	3.8
107.08595	14.6
109.02850	7.1
109.06489	3.9
109.10160	49.6
111.08095	4.6
113.06021	3.0
115.07566	1.3
117.06992	1.8
119.08581	8.5
121.06523	3.3
121.10139	9.8
123.08074	1.6
123.11710	20.5
124.41072	1.4
125.09617	11.8
127.03917	9.8
127.11211	19.8
131.08589	2.6
133.10136	6.3
135.08034	1.7
135.11665	10.8
137.09616	2.6
142.41438	1.5
145.04987	2.7
147.11676	3.6
149.13277	6.4
151.11235	7.1
153.12732	2.4
159.02887	2.4
167.14330	18.0
169.10114	1.7
169.12245	34.5
175.14833	2.9
177.16457	1.6
185.15378	17.2
193.15898	11.2
209.15385	1.5
211.16936	80.9
229.17996	100.0
230.18250	3.1
254.23273	1.4
315.08591	2.5
324.94931	1.4
349.21616	2.0
367.22586	2.3
385.23578	2.1
416.24203	2.3
459.27475	3.4
477.12158	2.1
486.60422	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	477.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22282	3.0
53.03197	3.3
53.03949	7.3
54.68959	3.0
55.01866	10.7
55.05516	47.5
57.03434	7.1
58.60099	3.0
59.04987	4.3
67.05505	40.4
69.03436	21.5
69.07072	20.4
71.04990	11.6
79.05504	38.6
81.03428	23.6
81.07062	41.2
83.04981	30.4
83.08624	31.5
85.02902	13.3
85.06535	10.6
87.00814	4.3
91.05487	29.2
93.07048	30.8
94.79543	3.0
95.04977	18.0
95.08604	25.5
97.02864	6.1
97.06545	9.5
97.10168	30.7
98.97569	4.7
99.04458	6.4
99.08090	7.3
101.06044	3.8
105.07050	23.9
107.04989	17.9
107.08593	35.3
108.08874	2.9
109.02903	3.8
109.06522	10.5
109.10159	46.8
111.08092	8.7
117.07013	9.9
119.08592	14.5
121.06521	15.1
121.10143	13.3
123.08084	10.2
123.10832	2.7
123.11694	19.4
125.09630	29.8
127.03912	10.0
127.11224	8.8
129.07008	10.2
131.04965	4.1
131.08568	12.0
133.06535	7.4
133.10115	9.8
135.08089	5.1
135.11668	17.7
137.06017	3.0
137.09590	5.1
141.06926	3.4
143.08551	4.9
144.19438	3.7
145.04973	4.6
145.06526	13.0
145.10158	6.7
147.04393	5.3
147.06488	3.7
147.08044	9.4
147.11674	10.0
149.09631	7.3
149.13274	7.6
151.11131	7.7
153.09128	7.8
153.12729	8.1
155.08510	3.6
157.06491	3.5
157.10109	8.6
159.08025	4.6
159.11703	3.3
161.09645	4.1
163.11224	5.3
165.09125	9.9
165.12788	3.6
167.14346	14.8
169.10167	4.3
169.12248	32.3
171.08076	3.7
171.11740	5.1
171.13844	2.8
175.14821	11.4
177.12708	4.1
177.16393	8.3
178.16690	8.9
179.08624	3.1
181.10034	3.2
185.09442	2.9
185.15350	8.1
187.11247	3.7
189.09341	2.8
189.11237	12.0
193.12244	10.8
193.15930	9.4
194.16211	3.3
199.11162	4.2
205.12372	3.8
209.15350	8.2
211.13367	3.1
211.16930	58.0
212.17352	3.7
213.12643	3.2
217.12215	3.1
229.15753	4.9
229.18008	100.0
231.05011	3.3
233.15262	6.6
237.12785	3.5
245.15480	3.4
249.14824	5.2
273.14923	11.4
307.13120	4.5
308.13519	7.4
339.23065	4.2
349.21649	11.9
357.24225	4.9
367.22681	30.9
385.23785	54.6
403.24799	11.9
416.24561	3.4
441.25943	7.4
459.27405	35.7
460.26489	3.3
477.23077	7.7
477.28470	20.4
478.28516	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01871	6.4
55.05258	2.8
55.05516	31.0
57.03429	6.0
57.07074	2.7
59.04995	3.8
65.03917	2.4
67.05514	22.3
68.99786	2.8
69.03432	15.4
69.07069	13.3
70.37408	4.6
70.37790	5.5
71.04986	3.8
73.02958	2.2
75.75594	2.2
79.05488	14.6
81.03432	14.1
81.07062	24.8
83.04986	30.0
83.08621	18.2
85.02901	16.1
85.06553	9.1
86.45293	2.3
87.00836	6.4
91.05489	14.8
93.07046	18.2
95.04992	4.8
95.08614	15.0
97.02900	4.3
97.06531	5.3
97.10175	10.8
99.04495	2.3
99.08097	6.4
105.01910	4.2
105.07047	8.0
107.04960	8.0
107.08603	23.1
109.02882	8.6
109.06521	2.8
109.10165	52.8
111.08030	2.2
114.05614	2.0
117.07023	3.5
119.08619	12.1
120.08940	4.1
121.06535	5.7
121.10120	10.4
123.08036	2.4
123.11723	17.2
125.09647	13.3
127.03897	7.8
127.11228	13.2
129.07024	5.4
131.04938	2.9
131.08554	3.2
133.10135	9.8
135.08041	3.3
135.11682	14.6
137.02344	3.9
145.05002	4.3
145.06483	5.0
147.08118	3.1
147.11711	4.6
149.13242	8.5
151.11168	7.0
153.12784	2.5
159.02911	5.3
167.14333	15.6
169.10149	3.5
169.12270	35.0
171.68939	2.2
175.14833	16.8
176.15172	15.5
177.16466	2.9
185.09647	2.1
185.15379	11.6
189.11276	3.6
193.12276	2.9
193.15880	11.3
211.16948	78.8
227.12759	2.8
229.18010	100.0
273.15042	2.6
286.37686	2.3
315.08655	6.5
349.21741	2.9
367.22607	7.8
385.23831	15.0
386.08289	2.3
403.24881	2.6
459.27484	7.2
477.28375	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	477.1399
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.50413	0.6
61.25467	0.7
67.05508	0.8
69.03422	1.4
69.35544	0.6
70.59341	1.5
70.59704	1.5
79.05463	0.7
81.07076	1.0
85.02897	0.8
95.04968	1.0
97.02888	1.2
105.07025	1.0
107.98846	0.7
108.75713	0.6
109.10154	1.1
111.07234	0.6
121.06496	0.8
121.10169	0.7
124.01532	1.1
133.02881	1.5
133.10068	0.7
148.05209	10.2
152.01067	8.1
153.01834	1.2
162.03136	1.4
163.03796	1.3
167.03389	4.5
170.02116	1.1
175.03979	2.2
199.42259	0.9
211.10785	0.7
213.05429	1.0
214.31955	0.7
229.04785	2.4
240.04210	4.2
243.06436	1.0
244.07426	0.7
255.06564	3.1
257.04443	1.5
259.09686	2.5
271.55960	0.6
272.06842	2.0
282.05222	1.2
283.02417	1.2
283.05731	0.9
287.05527	18.1
287.08829	1.1
300.06305	24.9
313.07281	1.4
314.07413	2.2
315.08621	100.0
316.08902	1.9
433.11282	0.8
477.09790	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	477.1396
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03945	0.4
55.01872	0.6
55.05497	1.0
57.03455	0.7
67.05516	0.7
69.03442	1.9
69.07047	0.6
70.80476	0.9
72.08135	0.5
79.05501	1.6
81.03407	0.9
81.07057	1.7
83.04984	0.5
83.08607	0.7
85.02910	2.6
85.06568	0.4
91.05464	1.0
93.07037	1.0
95.04974	1.3
95.08601	1.1
97.02870	0.9
97.10172	0.8
97.10776	0.3
105.03368	0.4
105.07036	0.7
106.01174	0.3
107.04919	0.7
107.08597	1.1
109.02860	1.1
109.10153	1.1
111.04429	0.4
111.08035	0.3
116.95508	0.2
117.07011	0.6
119.08588	0.9
121.06475	0.8
121.10176	0.4
123.04468	0.3
123.08064	0.3
123.11724	0.3
125.09619	0.9
127.03928	0.7
133.02832	0.5
133.10162	0.5
135.04459	0.9
135.08003	0.3
135.11694	0.7
137.05937	0.5
139.03876	0.6
144.08075	0.5
145.04974	0.6
145.10127	0.4
149.22858	0.3
150.03156	2.6
151.03911	13.0
161.06009	0.8
163.03946	0.5
171.08093	0.9
173.13312	0.4
177.05525	0.4
184.05231	1.6
185.05971	0.5
189.05521	0.8
189.11147	0.4
190.08653	0.4
191.03413	0.6
192.04285	0.4
196.05145	0.6
199.07539	1.2
201.05444	2.8
202.06267	2.4
203.07040	4.0
207.06529	0.6
211.07565	1.6
211.16891	0.6
212.04723	2.1
213.05452	0.9
226.06294	1.0
227.07031	16.1
228.07700	0.3
229.05000	1.0
230.05765	0.9
231.06578	1.5
239.07098	0.3
241.04979	0.6
245.08156	0.9
254.05711	0.5
255.06535	13.6
259.09689	2.0
265.65561	0.3
269.08191	0.8
271.06125	0.4
272.06842	0.5
273.14594	0.3
282.05231	1.7
283.06049	5.8
287.09155	1.2
289.05222	1.2
297.07626	0.5
298.08200	0.5
299.05502	1.0
300.06290	12.0
315.08630	100.0
316.09210	1.5
367.22672	0.9
385.23947	1.8
448.12735	0.4
459.27246	0.9
460.13260	0.4
477.16953	1.1
477.29190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1397
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
67.05513	0.8
69.03423	0.9
69.64591	1.5
69.64999	3.8
71.69234	0.8
72.08154	0.9
84.25617	0.8
85.02901	1.3
91.87954	0.8
105.07064	1.0
107.08646	0.9
121.06523	1.1
124.01598	1.1
133.02861	1.3
148.05208	10.5
152.01067	8.7
167.03406	5.2
170.02191	1.5
175.03975	1.4
192.68980	0.8
213.05528	1.1
221.50255	0.9
236.21278	0.8
240.04163	3.2
243.06656	1.0
255.06531	3.5
257.04321	1.6
259.09772	2.3
272.06760	2.5
282.05234	1.4
287.05533	16.0
300.06281	26.7
301.06671	1.2
302.27841	1.0
304.14807	0.8
313.06882	1.4
314.07367	1.4
315.05182	5.2
315.08609	100.0
316.08926	2.4
433.10220	0.8
462.14023	1.0
477.10129	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1399
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
50.01614	0.3
53.03947	0.3
53.96010	0.3
55.01886	0.5
55.05513	0.6
57.03431	0.6
61.02925	0.6
63.30894	0.3
63.45684	0.3
65.03940	0.4
67.05502	1.4
69.03451	1.9
69.07067	0.7
70.80261	1.0
71.05005	0.6
72.08160	0.8
73.02929	0.5
79.05495	1.3
81.03415	0.8
81.07074	1.6
83.04992	0.4
85.02914	3.4
85.06542	0.4
91.05475	1.0
93.07072	0.8
95.04957	1.2
95.08621	1.3
95.23778	0.3
97.02915	1.6
97.06552	0.5
97.10163	1.0
99.04472	0.6
105.03394	0.7
105.07053	1.0
107.04975	0.6
107.08607	0.8
107.58021	0.4
109.02910	0.7
109.06512	0.6
109.10199	0.8
117.06986	0.5
117.60201	0.3
119.08598	0.4
121.06516	0.6
121.10132	0.5
123.11675	0.4
125.09631	1.3
127.03925	1.1
130.06578	0.4
133.10141	0.6
135.04428	1.1
135.11729	0.7
137.05975	0.5
141.07111	0.4
144.08063	0.4
145.04977	0.4
145.10152	0.4
147.11703	0.4
150.03133	2.1
151.03914	13.6
151.07605	0.4
161.05986	1.0
168.05775	0.8
169.04962	0.3
170.27068	0.3
171.08063	1.1
174.06862	0.4
177.01852	0.5
177.05484	0.6
184.05219	1.8
189.05504	0.7
191.03375	0.9
199.07523	1.2
199.11243	0.4
201.05481	2.9
202.06314	2.4
203.07043	3.5
207.06519	0.5
211.07582	1.4
211.16895	0.4
212.04715	1.5
213.05531	1.0
224.04704	0.5
226.06230	1.0
227.07039	14.9
229.05009	1.1
230.05713	0.6
231.06483	1.5
240.04190	0.4
241.04982	0.6
245.08156	1.0
254.05847	0.4
255.06531	13.4
259.09674	2.1
267.06561	0.4
269.08078	1.1
271.05963	0.5
271.24564	0.3
272.06830	0.7
273.14740	0.5
282.05264	1.3
283.06027	5.4
284.06830	0.5
287.09277	1.2
289.05374	1.0
297.07458	0.4
298.27435	0.4
299.05402	0.5
300.06302	13.0
315.08646	100.0
315.29935	0.6
316.09042	2.0
367.22504	0.6
376.53333	0.4
385.23843	1.1
434.15781	0.3
439.92581	0.3
459.27414	0.8
477.11588	0.6
477.17831	0.7
477.30765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1396
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
55.65614	0.2
67.05537	0.3
67.34294	0.2
69.03441	0.6
69.31052	0.6
69.31459	1.7
71.05016	0.3
81.03486	0.3
85.02969	0.6
87.47935	0.2
93.07102	0.3
95.08648	0.4
97.02950	0.4
99.04488	0.3
107.08646	0.3
109.02931	0.2
109.10190	0.5
119.08608	0.4
123.00853	0.5
125.02357	0.3
127.03940	0.5
128.06305	0.4
133.03050	0.3
134.03674	0.5
135.04483	0.3
135.11749	0.4
137.02370	0.6
138.03221	0.6
145.02907	0.9
148.05241	1.0
151.00327	0.7
151.03951	0.3
152.01129	1.0
153.01836	1.7
156.05733	0.6
166.02695	0.7
167.03471	0.7
167.04924	0.4
175.14780	0.5
178.76053	0.2
183.04485	0.5
184.05252	0.9
189.05617	0.3
194.97469	0.2
195.04376	0.2
201.05565	0.3
211.16989	1.0
212.04698	3.0
213.05493	0.3
223.03929	0.6
226.06268	0.4
227.07101	0.3
227.16544	0.2
229.05029	0.8
239.03548	0.4
240.04195	3.8
241.04871	0.4
243.06570	0.8
244.07401	0.9
248.38565	0.3
255.06575	2.2
257.04379	1.1
259.09656	0.6
267.02896	0.8
268.03674	3.9
271.05984	0.5
272.06812	0.8
283.06088	1.5
285.03989	2.6
299.05554	1.2
300.06305	33.5
301.06641	0.4
315.08630	100.0
316.08960	1.8
338.67819	0.3
438.54608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1399
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
50.37243	1.0
51.23668	1.0
55.93650	0.9
59.81417	0.9
69.03426	2.3
69.40349	8.3
71.04971	1.0
72.19986	1.0
81.03389	1.2
85.02889	1.9
93.07034	1.2
99.04450	2.0
106.46111	1.0
127.03964	1.2
137.02370	5.7
137.06047	1.1
153.01917	1.1
153.07144	1.0
171.08017	2.3
196.05212	1.9
197.05800	1.1
211.07562	3.2
212.04681	3.9
227.07072	7.9
229.05017	1.4
239.07054	1.6
240.04218	5.3
254.05937	1.2
255.06570	17.8
257.04712	1.8
268.03659	3.5
283.06100	13.8
285.03952	2.4
299.05606	1.1
300.06332	13.1
315.05234	4.8
315.08630	100.0
316.08917	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	477.1411
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
50.62961	0.3
70.59019	1.1
71.04918	0.4
78.06412	0.4
80.13644	0.4
81.03412	0.4
81.07033	0.5
84.18726	0.3
85.02917	0.8
106.10584	0.3
107.08523	0.5
109.10139	0.5
121.06461	0.4
123.00739	0.5
127.03900	0.5
134.03580	1.0
137.02266	0.5
139.05406	0.3
151.00349	0.4
153.01775	0.4
166.02571	1.0
167.03473	3.1
167.04758	0.7
169.01329	0.6
175.03914	0.8
184.03642	2.0
184.05138	0.8
195.04442	0.4
199.07629	0.5
201.05618	0.4
211.16946	0.5
212.04724	1.8
216.07822	0.5
227.07056	1.5
228.03922	0.4
229.05037	0.8
229.17984	0.4
240.04247	2.2
240.80260	0.4
243.06625	2.7
244.07367	2.2
246.14862	0.8
255.06598	3.2
257.04556	0.7
259.09668	1.4
267.02954	0.4
268.03708	2.0
271.06094	0.6
272.06787	1.1
283.05997	3.7
285.03876	1.2
299.05536	2.8
300.06302	23.0
301.06647	0.4
311.95987	0.4
315.08636	100.0
316.08929	2.0
327.43817	0.4
476.32898	58.8
477.33185	35.0
477.40302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1396
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
60.49844	0.4
69.03422	0.6
69.26556	0.3
69.71722	0.4
70.69817	1.0
72.08147	0.5
79.05499	0.4
80.00955	0.4
81.07034	0.4
84.08122	0.3
85.02895	1.2
85.06502	0.4
89.06023	1.6
95.08602	0.4
97.02896	0.9
107.04991	0.6
111.01009	0.4
123.05555	0.7
125.09595	0.5
133.04994	0.7
133.10085	0.4
137.02344	7.8
149.02332	1.8
153.05577	0.5
163.03816	0.6
164.04659	1.1
165.10225	5.9
177.05527	0.6
183.11324	3.8
184.05193	0.6
189.05511	0.8
201.05563	0.6
212.04659	3.6
215.03468	1.9
223.03749	0.5
229.05057	1.4
229.14137	2.0
240.04152	2.9
255.06546	2.9
257.04468	5.9
257.13602	1.5
268.03598	1.9
269.04477	0.8
272.06854	2.9
283.05972	2.2
285.03952	22.4
287.09256	0.5
299.05600	0.6
300.06311	23.1
304.54489	0.4
315.08630	100.0
316.08984	1.8
373.18311	0.5
391.19528	2.6
433.20453	9.4
477.13284	0.6
477.19400	10.2
477.29556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1184
Annotation	Xanthoviridicatin D
Peak:m/z	Relative Intensity
67.05486	1.0
69.55032	3.5
69.55453	1.5
74.85634	0.7
89.03909	2.2
91.05508	4.4
93.07047	1.0
95.04983	0.7
97.10169	1.2
102.04700	0.8
103.05456	1.4
105.07037	1.4
117.03400	9.1
118.04164	0.9
119.04945	3.4
121.06486	0.7
122.03658	1.0
127.05447	1.1
128.06232	1.2
129.06985	1.6
131.04912	2.9
133.06532	0.8
135.04370	0.8
137.05971	1.6
143.53371	0.7
145.02873	3.5
145.06479	1.5
146.03650	8.1
147.04381	4.2
148.05139	1.0
149.05894	1.0
155.04924	12.1
155.06084	0.9
156.05705	1.4
161.06015	6.2
162.06700	0.8
163.07536	1.1
171.04414	1.8
183.04431	11.5
184.05240	1.7
185.05986	3.4
189.11264	1.0
195.04385	1.1
196.05173	1.1
211.03928	6.2
212.04695	2.5
213.05521	1.4
223.04027	1.2
224.04697	1.4
239.03429	14.1
240.04195	2.7
241.04922	5.7
254.05783	2.3
265.04816	1.1
267.02808	1.0
267.58447	0.8
268.03641	2.3
269.04468	100.0
270.04733	1.2
283.05939	1.0
295.06180	0.9
297.03952	44.8
298.04733	13.8
299.05499	19.5
313.12848	0.7
321.43594	0.7
329.77484	0.7
349.21732	1.0
385.23801	1.3
446.89417	0.7
447.10660	7.0
459.10806	48.9
459.27469	1.3
460.11127	2.0
477.11850	76.5
478.12122	3.1
481.78641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1186
Annotation	Xanthoviridicatin D
Peak:m/z	Relative Intensity
51.28355	0.4
55.01856	1.3
55.05525	2.9
57.03416	0.8
65.03935	0.5
67.05508	2.6
69.07054	1.0
69.10009	0.4
70.59740	1.0
70.60110	1.0
79.05503	4.2
81.03412	1.5
81.07043	2.0
83.08602	1.4
89.03923	0.6
91.05476	2.4
93.03416	0.5
93.07022	1.7
95.04967	0.8
95.08578	1.8
97.10162	2.2
103.05493	0.7
105.07037	5.4
107.04959	3.2
107.08587	2.1
108.02078	0.7
109.10123	1.0
111.04415	0.6
115.05459	0.4
117.03375	0.6
117.07026	0.7
118.04150	1.7
119.08578	1.0
121.02872	0.5
121.06483	1.6
121.10201	0.6
123.00764	2.8
123.04542	0.5
125.05957	0.8
125.09615	1.2
127.03857	0.4
128.06218	1.9
129.07036	0.6
131.08546	0.8
133.02875	2.4
133.06509	3.2
133.10161	0.7
135.04417	4.2
136.05206	1.0
137.02336	0.6
137.05957	2.1
137.09608	0.6
139.67482	0.4
141.07014	1.1
143.08527	0.6
145.02834	0.7
145.06488	0.7
145.10173	0.7
147.08040	0.6
147.11729	1.0
149.02351	1.8
149.05960	0.8
152.01048	1.2
153.05566	0.5
154.02615	0.7
155.08571	0.5
156.05658	0.7
157.10114	0.6
161.05949	2.7
163.03891	1.9
164.04695	0.8
165.09084	1.6
166.09402	0.6
168.05653	1.0
171.06645	0.6
171.08064	9.5
177.01823	1.9
177.05463	1.0
181.06512	1.8
183.08083	1.5
184.05200	2.5
189.11266	0.8
193.12308	1.0
197.05962	1.4
197.13248	0.6
199.07550	1.1
209.05977	4.4
211.07527	0.9
212.04686	1.6
213.09097	2.6
223.03944	0.8
224.04726	0.5
225.05463	1.0
226.06242	1.9
227.06978	0.9
229.08600	1.5
237.05389	2.4
239.03481	0.5
239.07036	1.1
239.14612	0.4
240.04132	1.6
240.07878	6.4
241.04898	0.6
252.04233	0.8
253.04964	2.7
254.05736	3.0
255.06535	100.0
256.06952	2.0
268.07263	3.6
269.08093	36.2
270.05106	0.5
270.08389	0.6
273.15002	0.7
283.06030	36.1
284.06747	4.9
285.07590	12.5
294.15854	0.5
295.06088	4.1
303.10214	0.7
306.08746	0.6
323.09277	0.5
332.10352	0.9
349.21811	0.8
359.09088	1.5
367.22778	2.2
371.09143	1.6
385.23770	3.7
387.08713	1.0
388.09610	0.8
389.10269	0.7
400.09805	0.5
403.11630	0.8
403.24673	0.9
431.11584	0.7
433.12863	27.2
434.13159	1.1
444.08481	2.7
459.10809	12.0
459.27536	2.6
460.11124	0.7
477.11829	72.2
477.28076	1.8
478.12048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67548	1.2
53.03928	3.0
55.01875	1.1
55.05289	1.3
55.05512	11.8
56.05042	8.5
56.96560	1.0
57.03429	4.0
57.07066	1.1
58.02954	2.7
60.04523	1.8
61.02917	3.2
63.72816	1.0
65.03935	1.9
67.04228	1.2
67.05509	25.7
68.05017	2.6
69.03433	9.3
69.07076	10.7
70.06593	9.7
71.04982	1.3
71.56200	1.4
71.56640	1.7
72.04506	2.0
79.05495	21.4
80.05020	6.7
81.03421	5.2
81.05762	1.4
81.07063	28.0
82.06167	1.5
82.06590	14.0
83.04976	2.4
83.08623	5.3
84.08164	1.9
85.02914	16.1
85.06519	1.8
86.06080	1.8
87.27451	1.1
91.04948	1.6
91.05482	15.7
93.05784	1.7
93.07040	16.4
94.06573	36.3
95.04967	3.7
95.07361	2.2
95.08608	18.4
96.08134	14.3
97.02899	6.0
97.06555	5.1
97.10180	3.1
98.97591	1.9
99.04465	1.5
105.07039	11.7
106.06519	1.7
107.04987	1.2
107.08588	11.4
108.08123	4.3
109.02876	2.2
109.06477	2.9
109.10154	11.5
110.97532	1.2
111.08118	1.8
112.07561	2.3
117.01865	1.0
117.07025	5.7
119.08633	8.7
120.08099	2.4
121.06485	2.2
121.10143	8.9
122.09642	2.0
123.11722	3.2
125.09616	2.1
127.03902	4.0
127.11259	1.4
131.08575	7.4
132.08052	1.3
133.10101	8.2
134.09612	2.4
135.11739	6.0
136.11163	1.6
137.05939	1.5
137.09569	1.3
143.08617	1.5
145.04938	1.9
145.10141	3.8
147.11681	4.7
149.13194	2.5
159.11705	2.3
161.13310	2.2
165.09109	2.9
166.09608	1.1
173.13226	2.2
175.14819	2.4
187.14787	1.4
193.15862	3.7
193.17426	1.1
198.18495	2.1
203.17953	1.2
211.16888	3.1
229.17897	2.7
237.02791	2.4
248.23778	4.7
249.82629	1.1
260.23721	28.9
261.21954	1.4
266.24719	5.5
272.06735	1.4
278.24808	100.0
279.25119	2.3
280.26300	2.3
296.25861	47.6
297.26297	1.3
313.06570	1.0
314.27002	7.8
325.14362	1.4
349.21667	1.6
353.06009	1.2
367.22659	1.7
385.23776	1.3
403.24701	1.4
422.28833	3.1
433.14328	1.2
440.29819	4.1
444.83835	1.1
451.77432	1.1
458.25586	1.4
458.31146	13.1
459.26923	2.2
476.26187	1.4
476.32629	10.7
477.13724	3.1
498.13824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
53.03963	1.8
55.05520	8.7
56.96571	2.4
57.03424	2.2
62.06090	17.3
67.05169	2.1
67.05509	26.6
67.61855	1.5
67.66654	1.4
68.10619	1.5
69.07076	8.4
71.37973	3.4
79.05495	14.3
81.07063	21.4
83.08625	4.3
85.05295	2.9
88.43305	1.5
91.05499	11.0
93.07056	13.2
95.05064	1.8
95.08617	19.3
98.06078	12.9
98.98454	7.9
105.07033	6.2
107.08617	8.4
109.10173	6.4
117.06997	2.8
119.08551	5.5
121.10162	4.8
123.11703	1.6
125.09556	1.8
131.00194	2.0
131.08618	3.2
133.10138	3.1
134.79190	1.7
135.11725	3.4
136.57520	1.7
145.10143	2.2
147.03072	2.0
147.11646	2.0
161.13261	1.7
174.13751	1.9
216.06337	2.1
237.33467	2.0
257.08051	3.7
261.22083	4.0
304.26367	100.0
305.26788	2.0
335.22021	2.7
335.25848	50.9
336.26068	1.8
358.16364	7.6
364.05353	1.7
416.22583	2.0
453.13925	2.8
472.99631	1.7
476.24988	1.8
489.68634	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.2
62.06101	1.0
63.98847	0.8
67.05505	10.0
69.07060	3.5
69.98360	4.7
71.63078	0.9
77.35344	0.8
79.05502	4.3
79.06373	0.7
81.07062	8.9
84.28922	0.8
85.05291	1.9
91.05490	1.6
93.07043	5.5
93.65031	0.9
95.08613	7.5
98.06066	11.8
98.98478	3.3
105.07040	1.1
107.08598	2.0
109.10146	2.7
119.08591	1.4
121.10175	1.2
126.09133	1.0
145.10133	1.3
150.09160	1.2
159.11659	1.0
181.04985	0.9
237.28482	1.0
304.26370	100.0
305.26596	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	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55820	0.6
53.03948	1.2
55.05293	0.7
55.05515	7.5
56.96557	0.9
57.03443	7.7
59.44504	0.6
62.06083	0.7
63.48552	0.6
65.03941	1.2
67.05508	28.8
69.03417	0.8
69.07072	8.3
70.92093	1.5
79.05492	15.1
81.03426	0.8
81.06577	1.3
81.07059	23.3
83.04964	0.7
83.08617	2.9
84.04817	0.6
91.05487	7.5
93.07050	16.3
93.88950	0.6
95.04969	2.0
95.08614	20.0
97.06497	1.4
97.10180	1.3
98.06042	1.0
98.98471	1.3
101.99150	0.6
105.04487	0.8
105.07044	5.2
107.08592	7.6
109.06522	1.0
109.10152	6.8
117.07025	1.4
119.08584	4.3
121.10139	5.2
123.11695	1.8
125.09561	0.8
129.07103	0.7
131.00055	0.7
131.08574	2.1
131.63448	0.8
133.10156	2.1
135.11678	2.5
137.09668	0.7
142.07756	0.8
143.08435	0.6
145.10115	1.8
147.11697	1.8
149.09613	0.9
149.13272	1.2
156.03706	0.6
157.10045	0.8
159.11699	2.7
160.12088	1.4
161.13266	1.4
175.14789	0.7
197.85681	0.8
199.14832	0.8
203.07069	0.7
206.05203	0.7
208.55275	0.6
230.09058	0.9
257.08136	0.8
304.26303	10.0
335.25818	100.0
336.26157	2.8
353.87125	0.7
358.16464	2.1
453.14035	0.8
476.25394	1.2
477.15356	1.0
477.26608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36851	0.5
53.03939	2.0
55.01868	2.9
55.05501	1.9
57.03419	2.5
59.04980	0.5
61.02913	2.2
64.13743	0.6
67.05511	3.2
68.99785	1.0
69.03082	0.6
69.03436	10.3
69.07059	1.5
69.42809	3.5
70.06577	0.5
71.04997	47.9
71.77132	0.5
73.02916	2.8
79.05479	2.4
79.95092	0.6
81.03418	8.8
81.06639	0.7
81.07063	6.8
82.06561	0.8
85.02911	31.2
85.06533	1.2
87.00839	12.1
87.08085	1.2
91.03950	0.6
91.05473	2.1
93.07025	3.3
94.06571	1.4
95.08595	4.0
96.08099	0.8
96.08960	0.5
97.02899	13.0
99.04468	7.8
99.08113	4.0
100.04716	0.9
105.01879	13.9
105.07028	5.5
107.08598	6.5
107.91077	0.6
108.70628	0.5
109.02886	9.2
109.06525	0.9
109.10152	2.9
117.01891	0.8
119.08585	4.1
121.10152	27.7
123.08112	2.8
123.11716	30.5
124.12027	0.6
125.09621	0.8
127.03931	17.8
129.01839	1.3
131.08517	0.6
133.10138	3.5
135.11699	4.7
137.05991	0.6
137.09621	1.7
138.51868	0.7
145.04980	8.6
145.10109	0.8
147.02892	1.1
147.08073	0.6
147.11693	1.4
149.13263	1.7
151.11188	6.3
151.14763	1.2
159.02914	4.5
159.11731	0.7
165.09135	2.1
165.12749	6.1
175.14836	6.1
177.16376	1.5
183.13785	0.9
184.14131	1.2
189.03979	0.9
193.15892	100.0
194.16245	1.6
210.15793	0.7
211.16948	37.6
213.03917	1.0
227.16423	1.3
228.16754	2.3
229.17982	1.1
231.05055	3.6
237.10329	0.7
249.06104	1.0
251.11842	1.3
254.88046	0.6
260.24033	0.6
263.11829	2.2
265.50064	0.6
278.24841	3.5
279.11090	0.6
283.14597	0.6
295.14386	0.7
296.25659	1.7
303.14380	0.6
311.13901	0.7
323.13806	1.1
444.19406	0.9
458.31180	1.0
476.21545	1.0
476.32108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
57.07076	0.4
61.64244	0.4
64.46276	0.4
67.05506	1.2
69.07079	1.7
69.42458	1.8
69.42874	0.8
72.78036	0.3
79.05493	1.7
81.03424	0.4
81.07066	10.7
83.08610	0.9
85.02901	0.5
91.05490	3.6
93.07059	3.6
95.08040	0.7
95.08614	9.0
97.02892	0.6
99.08121	0.9
103.05470	0.4
105.01875	0.4
105.07038	11.5
107.08612	5.6
109.02914	0.5
109.10165	1.2
113.09646	0.7
117.07029	0.7
119.08589	27.2
121.10137	0.8
123.11742	0.5
124.67725	0.3
125.09668	0.3
131.08566	1.5
133.10143	19.6
133.85229	0.3
134.10472	0.5
135.11693	2.5
145.10130	0.5
146.10870	0.6
147.11719	3.3
175.14838	100.0
176.15150	1.4
193.15866	1.3
211.16716	0.4
229.18073	0.5
279.03763	0.4
319.22369	0.4
323.89288	0.4
331.27255	0.3
421.20709	0.4
476.30966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15468	2.0
53.03946	2.7
55.05500	6.3
57.07072	2.7
67.05497	7.8
69.03425	6.6
69.07073	12.0
70.06612	2.2
71.04983	5.3
71.58188	2.5
78.22580	2.1
79.05498	17.1
81.03407	5.8
81.07059	17.2
83.04968	2.6
83.08634	2.9
84.08144	3.5
85.02908	10.4
85.06542	3.0
87.00824	5.0
91.05486	16.7
93.07051	22.9
95.04977	5.0
95.08617	30.5
97.02895	7.8
97.06524	2.3
99.08105	8.2
103.05436	2.0
105.01858	6.4
105.07042	70.3
107.04945	2.3
107.08596	37.6
109.02866	3.8
109.06654	2.2
109.10157	7.4
113.09657	4.6
117.07003	2.9
119.08591	67.9
119.09448	3.7
121.10158	7.4
123.08086	1.9
123.11686	8.6
125.09678	2.4
127.03916	7.3
131.08565	4.0
133.10144	96.3
134.10454	3.6
135.11700	51.3
137.09624	8.6
145.04990	5.1
145.10155	3.2
146.80867	1.8
147.11725	10.5
149.13290	2.5
151.03949	3.5
151.11191	2.6
161.09637	2.9
167.22096	2.0
173.13371	2.0
175.14844	100.0
176.15205	2.5
181.87941	1.7
185.43407	1.9
192.14680	2.2
193.12221	4.0
193.15959	12.1
202.30521	2.1
209.15353	2.1
210.15710	3.8
212.04602	2.4
228.58209	1.9
231.04880	2.5
240.04149	2.4
241.04543	4.5
269.04034	4.0
284.06021	1.8
298.04715	9.5
299.05069	14.7
300.06198	4.0
313.07019	22.8
314.07434	61.5
315.08652	24.2
352.73636	2.1
476.14130	12.7
476.27737	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
53.36554	1.2
55.01870	3.9
57.03441	42.0
59.04996	4.4
59.28461	1.2
60.04512	4.5
61.02937	11.3
69.03434	93.1
69.38167	11.3
71.01348	2.3
71.04985	1.8
72.30006	1.5
72.41271	1.3
73.02924	53.5
75.04485	2.6
79.05492	2.8
81.03416	5.0
81.07065	1.5
85.02910	85.9
87.00809	1.4
87.04472	61.2
91.03974	1.6
91.05479	1.7
93.07063	1.7
95.04973	2.3
97.02899	92.8
98.06052	1.5
98.32718	1.4
99.04462	5.9
104.85784	1.4
105.07036	18.2
109.02886	6.6
115.03936	100.0
119.08601	1.8
124.05226	19.5
127.03935	13.6
129.07127	1.8
133.04977	80.8
133.06458	10.7
133.10106	2.8
137.05986	25.9
144.06573	4.0
145.04962	17.4
148.05194	1.5
150.07674	9.9
157.06454	2.5
162.07741	3.1
163.06039	2.4
165.09122	63.5
175.14790	3.8
177.09114	1.6
180.08632	3.1
189.09155	4.2
201.09093	5.8
207.10176	4.0
223.06052	1.8
231.10242	2.5
241.07069	4.5
243.10226	3.0
259.07944	2.9
277.09265	2.2
312.12711	1.6
315.08585	6.8
320.66699	1.3
419.16690	1.3
488.32373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63315	1.1
55.05506	1.8
65.62943	1.0
69.03429	3.9
69.03868	0.8
69.07075	4.5
70.91390	1.3
70.91729	2.1
76.26324	0.9
81.03415	2.4
81.07034	2.5
85.02908	7.8
87.00826	3.2
91.05489	2.8
93.07021	1.1
95.08616	5.3
97.02902	3.9
99.04457	1.1
99.99651	0.9
105.01881	2.9
105.07024	8.8
107.08591	2.5
109.02887	2.5
109.10155	1.9
113.12878	1.0
117.07026	1.1
119.08588	28.2
121.10146	2.4
127.03906	7.3
131.08517	1.2
133.10127	26.5
134.10849	1.2
135.11729	1.9
138.09018	0.9
145.04961	2.9
145.10175	1.5
147.11670	5.7
149.13324	1.0
159.02936	1.6
168.34689	0.9
172.37329	1.0
173.13271	1.1
175.14824	100.0
176.15083	1.7
177.16418	2.6
178.72281	1.0
182.41095	0.9
193.15874	4.9
210.15581	1.0
232.73083	0.9
295.04620	0.9
434.16013	1.3
441.47400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14193	0.9
52.00014	0.8
53.03939	3.1
55.01873	4.0
55.05526	0.8
57.03443	1.2
61.02918	1.3
68.40459	0.8
68.99777	1.2
69.03429	8.5
70.06584	1.5
71.04999	1.1
71.12914	1.6
72.08131	1.9
73.02901	2.2
74.66257	0.7
77.57706	0.8
79.05500	4.8
80.79905	0.9
81.03419	8.0
82.59319	1.0
85.02422	1.4
85.02909	19.2
86.36372	0.9
87.00842	6.7
91.05461	1.4
95.04967	1.1
97.02905	8.9
99.04465	3.2
103.05471	5.4
105.01864	3.4
105.07043	49.2
107.04954	5.9
108.04478	3.1
109.02878	5.4
115.03886	1.2
115.05466	8.6
117.01857	1.2
118.04166	2.5
119.04957	1.2
121.02803	1.0
126.05516	3.0
127.03923	12.2
129.01889	1.5
131.04927	2.2
133.06500	50.8
134.06854	1.4
138.09108	1.2
139.07498	1.1
143.04971	1.1
143.06073	4.4
143.07008	1.0
145.04973	4.8
149.05962	2.2
156.10196	1.0
159.02893	4.8
161.05995	100.0
164.07025	1.1
165.09088	1.5
166.08611	1.1
193.08623	88.7
194.08836	1.6
219.56644	0.9
228.12415	1.0
230.06654	1.7
231.04982	1.9
248.07658	2.0
285.07214	1.4
295.05460	1.0
305.71356	0.9
313.07022	1.4
314.07431	5.1
337.07053	1.5
338.07462	1.6
356.08591	1.1
377.04410	1.1
378.21457	1.0
440.10257	1.0
476.18134	2.1
476.25360	0.9
477.15616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01868	3.5
56.05019	0.8
57.03434	1.8
58.06577	0.9
65.99955	0.9
67.05510	0.8
68.05039	8.9
69.03428	4.1
69.88857	3.4
70.06584	4.8
72.08159	21.6
73.02909	2.0
74.06084	1.3
76.95506	0.8
78.72384	1.1
78.99870	0.8
79.05500	6.6
81.03438	2.0
83.04982	0.9
84.04485	0.9
84.08124	1.0
85.02909	7.1
86.06071	24.5
86.09703	5.5
87.10056	0.8
91.05481	3.5
95.04977	1.9
96.12834	0.8
97.02918	4.7
98.97605	1.8
99.04485	1.4
100.07616	1.5
103.03963	1.2
103.05479	6.2
105.07034	54.8
106.07355	1.2
107.04957	1.0
107.08600	1.0
109.02861	1.3
115.03947	1.8
115.05463	11.9
116.07098	6.2
118.04147	4.4
120.08105	0.9
127.03894	2.6
128.07079	3.2
131.04936	2.3
133.04976	1.5
133.06497	55.0
134.06888	0.9
137.05980	1.1
140.07037	1.0
142.08623	1.0
143.04970	1.5
143.06018	5.2
145.04987	0.9
147.04413	4.2
149.06065	1.3
154.08644	1.1
161.05988	100.0
162.06416	0.8
165.05487	1.8
166.08665	1.1
167.01602	1.9
167.07098	1.2
185.12859	3.9
187.14362	1.5
193.08611	80.3
199.14424	1.9
204.88441	0.8
209.02708	0.9
213.12352	1.2
215.13908	1.5
228.12238	1.3
245.14960	13.5
245.17293	1.2
248.12601	1.0
272.30246	0.9
278.90057	0.9
285.16498	1.1
338.07480	2.0
344.21683	4.0
345.16812	1.9
356.08240	1.3
369.10794	1.4
374.49695	0.9
377.19199	12.3
405.13510	1.1
422.09454	1.0
444.17993	1.1
476.12268	1.2
476.19022	3.7
476.25943	3.4
477.19308	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	475.285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54197	1.3
55.05517	2.4
63.53833	1.2
67.05502	6.5
69.07058	6.2
71.58640	1.9
79.05482	5.3
81.07050	9.9
83.08617	2.0
91.05484	71.7
93.07063	9.9
95.04965	2.4
95.08609	8.1
103.05448	2.3
105.03403	1.7
105.07052	13.0
106.07355	1.7
107.04955	1.6
107.08609	7.6
109.06500	1.9
109.10157	7.0
115.05428	1.8
116.38834	1.6
117.06987	3.7
119.08582	8.9
121.10135	3.3
123.11684	3.3
129.06995	1.7
131.04932	2.6
131.08559	4.3
133.10139	6.3
135.08038	2.9
135.11671	4.2
141.07027	1.9
142.07759	2.2
143.08572	3.7
145.10121	6.1
147.11687	2.3
149.13287	1.5
151.03908	4.9
155.08554	3.3
157.10130	7.2
159.04408	2.5
159.08054	2.1
159.11687	4.4
161.09621	3.6
165.07033	2.5
166.07748	3.3
173.13284	1.7
175.03928	1.7
175.11099	2.6
177.05463	2.7
178.07765	2.3
179.08592	3.3
181.10129	3.0
183.07857	1.4
189.05489	8.3
191.08553	2.7
194.07256	3.8
195.08153	1.7
197.13329	1.7
199.14856	9.3
201.16394	2.8
202.59665	1.4
203.07013	10.7
205.04976	1.7
207.07974	1.6
209.09627	3.5
211.07550	7.6
213.09134	2.3
217.15839	4.9
225.09225	2.0
229.08730	6.7
237.09032	4.6
239.07053	2.7
239.10619	5.0
241.08580	2.4
243.06396	2.4
243.10226	1.8
245.08182	1.6
249.09177	2.4
253.08539	4.2
253.12329	1.4
255.10211	2.1
257.08090	19.3
258.08652	1.7
259.09610	8.5
263.10696	1.8
267.10175	100.0
268.10446	3.3
269.11578	4.0
271.09665	6.9
281.11890	1.5
285.11273	7.2
335.12631	1.7
335.16269	2.1
337.14044	1.6
389.21143	3.4
401.21155	2.2
457.28223	19.6
475.24890	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	475.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.5
55.84138	1.9
57.07055	1.8
65.03946	3.1
67.05508	21.3
69.07071	9.2
71.58246	2.4
79.05506	11.7
81.07057	21.4
82.07423	2.0
83.05012	1.9
83.08611	4.0
91.05481	20.0
93.07054	13.4
95.04949	2.7
95.08617	9.6
97.06500	1.6
97.10226	1.6
103.05461	2.4
105.07039	41.3
107.04939	3.0
107.08601	24.0
109.06519	5.7
109.10169	32.8
115.05462	2.7
117.07021	5.5
119.07790	2.4
119.08591	32.5
120.47148	1.8
121.06488	2.0
121.10153	2.8
125.09628	1.7
128.06218	7.4
129.06995	7.5
131.04980	2.7
131.08580	13.7
133.10112	6.9
135.04419	8.6
135.08084	3.2
135.11693	5.4
141.07014	3.9
142.07788	22.3
143.08559	23.9
144.09344	2.6
145.06549	1.8
145.10162	13.6
147.04463	2.6
147.11671	3.5
155.08568	8.2
156.09340	7.9
157.10138	52.5
159.04457	2.6
159.08072	4.5
159.11688	18.6
161.02322	2.3
161.05946	3.1
161.09633	11.5
163.03918	5.2
165.07086	2.2
167.03433	2.1
169.06480	2.1
169.10069	2.3
170.10904	5.8
171.11687	15.9
173.13176	2.7
175.03876	6.1
175.07545	2.1
175.11192	2.1
183.08003	3.6
185.05995	2.0
185.13333	2.2
189.09180	2.6
195.08177	4.0
199.14835	100.0
200.15025	2.1
201.09190	2.1
201.16371	5.2
203.03352	2.4
203.07071	17.7
205.04889	2.7
211.07562	28.3
213.09079	5.1
214.06209	2.5
217.15834	3.9
222.50839	1.8
229.05061	2.8
229.08603	35.4
234.00150	1.7
239.07043	11.4
241.08533	5.8
242.05681	2.2
243.06503	2.9
243.10323	2.0
244.07326	3.0
250.90680	1.7
257.08102	77.7
258.08533	2.4
259.09705	76.4
260.09915	1.8
267.10199	7.8
271.09631	2.0
299.12949	2.1
321.14801	2.5
375.15817	6.6
399.28137	1.8
401.17264	2.4
417.20703	2.2
427.24826	1.8
439.22693	6.5
457.23596	25.0
475.25082	41.5
484.87366	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	475.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.3
55.01867	9.9
55.05260	3.2
55.05516	38.3
56.96558	2.4
57.03426	5.2
59.05003	2.4
65.03934	3.7
67.05507	41.2
69.03423	5.5
69.07073	13.2
69.28671	6.4
69.29095	13.9
71.04986	4.0
79.05062	2.7
79.05497	39.1
81.03423	30.7
81.07068	42.0
83.04971	10.2
83.08622	17.4
85.02901	4.7
91.05485	31.6
93.07057	27.6
95.04965	19.2
95.08612	24.4
97.02911	2.6
97.06522	6.8
97.10146	17.8
98.21487	5.2
99.04478	3.1
103.05457	5.4
105.03368	2.9
105.07038	25.4
107.04957	15.2
107.08064	1.9
107.08612	19.7
109.02871	6.0
109.06522	6.4
109.10158	16.1
111.08048	2.5
115.05453	3.1
117.06998	18.0
119.04975	5.1
119.08599	17.0
121.02852	3.2
121.06524	12.5
121.10132	8.8
123.04395	3.0
123.08043	7.7
125.02390	4.3
125.09640	13.5
128.06221	4.9
129.07021	14.5
131.04922	8.0
131.08572	16.7
133.06502	11.5
133.10139	10.7
135.08058	8.6
135.11742	10.8
137.05998	4.5
137.09618	3.8
141.07002	8.7
142.07777	2.8
143.08571	8.6
145.06482	15.2
145.10162	12.3
147.04395	5.5
147.08049	8.0
147.11668	5.3
149.05978	3.1
149.09628	7.1
151.03896	2.5
155.08554	7.3
157.06424	4.9
157.10133	5.8
159.04454	2.9
159.08098	6.2
159.11627	2.6
160.05194	4.3
161.05978	31.2
161.09607	5.7
163.11214	14.5
165.09135	15.7
167.08580	3.8
169.06557	2.5
169.10078	4.4
171.08057	6.9
171.11633	2.6
173.05994	6.1
173.09593	6.7
175.07504	3.8
175.11192	5.9
181.10156	3.9
183.07991	4.7
183.11676	5.9
185.06065	2.8
185.09647	6.1
185.13297	3.9
187.07587	5.2
187.11229	3.7
189.09096	4.6
189.11215	7.2
191.10657	4.3
193.12274	8.7
197.09595	2.7
199.11057	2.5
205.12167	4.2
211.07411	2.2
211.11145	3.5
213.12711	5.1
225.12891	4.2
227.12756	16.7
231.13837	6.0
237.11198	3.4
243.13846	4.7
243.69611	2.3
253.12161	4.2
257.15396	2.5
269.15390	7.4
271.13303	6.3
273.14877	6.4
285.14917	3.7
287.16330	3.6
289.14374	20.7
299.09027	6.6
299.16501	2.8
325.06790	2.3
325.58411	3.3
337.21783	2.7
355.22830	9.2
365.21146	17.1
383.22186	82.8
401.23172	33.9
403.23035	2.4
419.24554	4.3
421.23746	4.0
431.24271	7.8
439.24765	10.6
457.25851	58.0
457.31931	4.3
475.26895	100.0
476.27853	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	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
54.97012	5.3
55.01886	6.3
69.03436	30.2
71.18064	9.3
71.18375	8.4
78.90842	6.3
79.05496	8.0
81.03426	14.6
81.07059	18.3
83.04985	6.4
85.02895	52.9
87.00826	25.4
91.05504	10.4
93.07056	18.9
95.04988	31.5
97.02911	12.4
97.06539	27.1
99.04446	15.3
105.01884	14.4
105.07051	21.2
107.08611	14.3
109.02874	17.4
109.06516	37.9
109.10162	20.8
111.08070	6.6
115.07567	10.3
119.08574	12.9
121.10136	24.4
123.08047	8.5
123.11631	6.9
125.09612	10.9
127.03962	22.8
131.08598	13.5
133.10132	63.6
135.08095	8.9
145.05026	15.2
145.27629	6.8
147.11693	30.2
151.11177	10.1
151.66240	6.8
153.09116	20.2
165.12776	10.4
173.13307	32.8
191.14337	51.4
209.15367	100.0
227.16473	41.6
436.28864	6.5
475.21732	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	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07303	3.5
62.93575	3.5
67.05501	4.8
69.03419	13.9
69.07055	6.1
69.45254	11.4
69.45678	18.0
71.04985	13.4
78.38493	3.6
81.03394	8.6
81.07064	6.3
85.02908	24.4
85.06526	10.4
87.00861	6.5
91.05461	5.4
93.07047	9.5
95.04977	78.3
95.08599	5.4
97.02905	7.6
97.06512	4.5
99.04456	23.0
99.08065	8.3
99.75427	3.5
105.01879	5.9
105.07008	13.3
105.07667	4.5
106.26109	4.8
107.08620	21.1
109.02869	11.0
109.06508	5.4
109.10172	31.5
115.07622	4.4
119.08620	5.9
121.10133	9.5
123.11700	14.6
127.03910	14.3
127.07559	7.0
131.08586	6.9
133.10143	77.8
139.11217	5.3
145.05052	4.2
151.11139	16.3
153.09132	34.3
163.14772	6.6
169.12267	11.1
173.13332	26.6
191.14336	45.1
209.15385	100.0
227.16376	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	475.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
57.04241	0.4
57.07060	0.4
65.03942	0.6
66.92834	0.4
67.05505	3.0
69.03434	17.8
69.07060	1.4
69.26901	4.2
70.87009	0.4
71.05001	0.6
74.63914	0.5
79.05479	1.4
81.07046	1.9
83.04989	0.5
83.08637	0.6
85.06544	1.1
91.05494	3.6
92.76569	0.4
93.07053	1.0
95.08580	0.7
96.65575	0.4
97.06536	0.5
97.10162	1.1
98.20715	0.9
104.72703	0.4
105.07036	17.2
107.08609	5.7
109.06525	0.7
109.10165	0.5
115.05438	0.5
117.07003	1.1
119.04945	1.9
119.08592	8.4
121.06519	0.9
121.10111	0.5
125.09648	8.0
128.06229	1.6
129.07004	1.2
131.08586	2.0
133.06488	0.5
133.10112	3.3
135.08134	0.5
142.07777	3.2
143.08568	7.4
145.10144	4.4
155.08551	1.3
156.09348	0.7
157.10149	12.4
158.07205	0.5
159.08090	0.5
159.11688	4.4
161.06010	0.8
161.09615	1.4
167.08524	0.7
171.11723	3.1
173.05974	0.8
175.03880	1.0
183.08066	0.6
185.06026	0.7
187.04037	0.5
189.05518	1.1
190.06041	0.5
195.08060	1.4
198.06738	0.5
199.14830	20.6
201.05432	0.7
203.07133	2.2
205.05011	0.7
211.07568	3.4
213.09058	3.6
214.06386	0.7
215.07024	0.9
217.04962	1.0
217.15865	2.2
227.06963	1.1
229.04926	1.4
229.08611	6.3
239.07100	1.8
241.08633	9.1
242.05688	0.8
243.06525	3.0
244.07304	5.5
257.08105	13.1
259.09680	100.0
260.09998	2.4
267.10196	1.8
271.09760	2.4
286.59576	0.5
305.01062	0.5
335.12643	0.5
350.08951	0.5
387.08972	0.6
391.18964	0.5
457.23505	4.6
475.24875	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	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77597	3.0
53.03936	5.6
55.05505	4.0
67.05490	8.4
67.96452	2.9
69.03426	18.4
69.07090	2.8
70.52572	7.4
70.52928	5.7
71.04984	14.1
79.05521	3.3
81.03415	6.3
81.07051	12.9
83.04985	4.9
83.08639	4.3
85.02901	19.4
85.06531	12.4
87.00814	8.6
91.05495	9.3
93.07037	14.2
95.04977	82.9
95.08614	8.1
97.02896	19.2
97.06541	8.5
99.04458	28.6
99.08088	10.7
105.01868	5.3
105.07053	16.9
107.08635	21.6
109.02899	8.2
109.06487	7.3
109.10166	39.1
110.98905	3.0
111.08078	3.9
115.07581	9.8
119.08582	8.9
121.10152	9.3
123.08089	3.2
123.11704	20.0
125.09614	5.1
127.03928	15.8
127.07530	5.4
131.08588	10.1
133.10141	90.0
135.08066	4.9
135.11650	3.7
139.11188	6.0
145.04980	7.7
145.10129	5.0
147.11621	5.2
149.13254	10.9
151.11206	22.5
153.09125	37.9
167.14427	4.0
169.12267	10.8
173.13281	40.4
176.02370	2.8
191.14323	52.9
209.15375	100.0
219.54477	2.9
225.76929	3.0
227.16417	13.9
337.07132	5.0
392.91925	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	475.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.2
54.32055	0.2
55.05509	0.3
63.72739	0.3
65.03922	0.3
67.05489	0.4
69.03428	0.7
69.07054	0.5
69.97710	0.9
69.98114	0.4
71.04982	0.3
81.03417	0.3
81.07049	1.0
82.06577	0.3
83.04990	0.3
85.02904	0.8
87.91352	0.3
91.05478	0.6
93.07046	0.4
95.04956	0.8
95.08583	0.8
97.10147	0.4
98.20795	0.4
99.04465	0.2
99.08086	0.3
105.07016	0.4
107.04929	0.3
107.08588	0.7
109.02861	0.3
109.10152	0.7
119.08667	0.3
119.14520	0.3
121.06512	8.0
121.10184	0.6
123.11682	0.4
125.09658	0.3
127.03946	0.5
128.06221	0.7
133.10127	0.9
135.11702	0.3
137.13251	0.4
139.05374	0.4
139.07568	0.3
145.02820	0.4
145.04846	0.2
149.13205	0.3
151.07564	0.3
156.05690	1.0
161.02356	0.3
161.05894	0.3
165.09039	0.3
167.04906	0.5
169.06604	0.2
173.13269	0.4
175.03966	0.6
175.09261	0.2
183.04494	0.4
184.05173	2.2
191.14333	0.6
192.45120	0.2
195.04457	0.6
197.05951	0.5
199.07471	0.3
209.15350	1.6
211.03854	0.4
212.04686	6.3
223.03903	0.5
225.05638	0.3
227.06982	0.5
227.16362	1.5
237.05455	0.3
240.04175	8.2
251.03380	0.4
253.04929	1.3
255.06512	3.2
257.08203	0.6
268.03674	9.5
268.06583	0.5
269.04288	0.7
270.05341	0.8
271.06287	0.2
283.06012	4.1
298.04724	27.5
299.05042	0.5
313.07059	100.0
314.07370	2.2
367.88440	0.2
387.15622	0.4
399.08679	0.3
416.15689	0.6
428.09286	0.4
443.11160	0.4
475.13806	2.5
475.30746	0.3
475.37305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1241
Annotation	Germanaism B
Peak:m/z	Relative Intensity
55.01870	0.4
55.05513	0.6
57.03447	0.4
67.05495	0.8
68.99803	0.3
69.03429	1.8
69.07066	0.3
69.81877	1.3
71.05000	2.4
79.05495	0.6
79.37350	0.3
81.03419	2.1
81.07053	0.9
83.04982	1.0
83.08616	0.7
85.02921	3.0
85.06544	1.1
87.00835	1.0
91.05505	0.7
93.07059	1.2
95.04977	2.3
95.08606	1.2
97.02911	0.8
99.04464	8.2
105.01886	0.5
105.07030	0.7
107.04971	0.9
107.08604	1.8
109.02887	1.2
109.06505	0.7
109.10167	1.8
111.08117	0.3
113.09635	0.2
119.08551	0.5
121.06522	0.4
121.10191	0.7
123.08076	2.1
123.11726	1.0
125.09677	0.5
127.03920	2.1
129.01772	0.2
131.08575	0.6
133.10155	2.2
135.08029	0.5
137.02335	0.5
137.06001	0.3
139.07521	0.3
143.60829	0.2
145.04973	0.6
145.10143	0.4
147.11682	0.6
149.13277	0.6
151.03926	0.6
151.11206	0.7
153.09123	2.1
159.02913	0.7
161.02362	0.8
161.13295	0.3
162.03134	24.4
163.03857	0.5
163.11137	0.5
169.12236	1.5
173.13260	0.7
183.13834	1.7
184.05247	0.9
189.01820	0.5
191.14291	1.5
200.04500	0.3
209.15370	5.5
211.03809	0.3
212.04689	5.3
213.05241	0.4
215.03290	0.3
223.03722	0.2
224.04666	2.4
227.07170	0.3
227.10217	0.5
227.16438	6.0
227.18668	0.2
228.04193	0.6
240.04204	4.4
255.06528	5.3
257.07953	0.4
267.02829	0.3
268.03693	2.6
269.04453	0.5
270.05328	0.7
273.05484	0.3
281.04453	10.6
282.04993	0.3
283.06018	3.6
285.07532	0.5
297.03906	1.8
298.04739	34.8
299.05209	0.6
302.80313	0.3
313.07068	100.0
314.07410	2.5
475.12637	0.5
475.21619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1239
Annotation	Germanaism B
Peak:m/z	Relative Intensity
53.33783	0.1
68.99785	0.4
69.03405	0.3
70.66874	0.3
71.04984	0.1
74.81093	0.1
81.03453	0.1
81.07047	0.1
85.02911	0.2
89.03921	0.2
91.05474	0.2
93.07027	0.2
95.04966	0.4
105.07025	0.4
107.08580	0.1
109.10157	0.3
111.04409	0.2
119.08595	0.4
120.08930	0.2
127.03895	0.3
128.06175	0.3
132.79562	0.1
133.10097	0.4
139.03824	0.1
139.05424	0.5
144.05693	0.5
145.02858	0.3
146.03590	0.3
147.11723	0.2
148.12003	0.2
151.03896	0.3
155.04922	0.7
155.06029	0.2
156.05710	0.2
159.08038	0.2
163.03885	0.2
167.04929	1.5
167.11076	0.1
168.05656	0.2
170.03676	0.5
171.04431	0.6
173.13330	0.2
175.14827	0.2
184.05153	0.7
185.05951	0.2
186.06807	0.2
187.07567	0.3
191.14340	0.5
192.14665	0.2
195.04420	1.2
196.05309	0.2
197.06030	0.3
199.07532	0.8
202.58174	0.1
202.76326	0.2
209.15373	0.5
212.04680	2.8
214.06227	0.1
223.03920	0.7
225.05510	0.4
227.07050	1.4
240.04193	6.5
241.04662	0.2
242.05696	0.4
251.03481	0.2
253.04976	1.5
254.05791	0.2
255.06538	8.4
257.08054	1.6
268.03690	6.3
270.05231	1.6
282.05307	0.2
283.06027	8.4
284.06473	0.2
285.07690	0.3
298.04736	6.3
299.05292	0.3
313.07065	100.0
314.07373	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	475.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	1.1
56.96569	18.1
61.02929	1.0
69.03422	2.1
69.38850	5.4
70.06583	0.8
71.95274	2.0
72.08161	0.8
73.02927	0.9
84.08167	0.8
84.96044	5.5
85.02908	3.7
86.09714	0.7
97.02902	2.8
97.96817	3.4
98.97591	100.0
99.04449	0.7
110.97581	23.6
112.99141	4.3
115.97859	0.8
116.98632	33.9
124.99150	1.1
127.03914	1.2
128.98610	16.8
131.00191	3.9
134.99670	4.6
137.05969	1.1
140.00229	1.2
140.98621	2.1
143.00211	2.9
144.98119	1.0
146.99644	5.9
147.04366	1.4
149.01285	1.6
152.98595	1.2
155.00189	0.8
155.04718	1.2
158.99669	16.2
161.01216	3.9
162.99211	1.1
164.20792	0.7
166.76118	0.6
167.07053	1.3
170.05177	0.7
170.99683	5.3
171.03203	0.7
173.01245	1.2
177.00731	10.8
179.00140	0.9
189.00777	2.7
193.01749	0.7
193.98924	1.7
194.99704	1.0
195.03339	1.2
197.01266	0.9
201.00645	3.3
207.01846	0.9
208.00496	1.2
211.02844	0.8
211.99940	1.3
213.04369	1.2
214.95447	1.2
219.01782	33.7
220.00479	2.9
223.02867	1.8
226.01543	1.8
227.02400	1.8
235.02811	15.6
235.04974	1.4
237.02809	36.2
238.01486	8.0
241.03835	4.1
249.11633	0.8
251.02293	2.0
253.03853	16.9
255.05685	1.6
256.02505	2.8
259.04865	0.7
259.08292	1.3
260.02069	3.9
260.04395	0.8
265.03879	1.4
267.01669	0.8
269.03369	3.2
271.04932	6.9
277.03854	21.7
278.03125	1.2
279.05530	4.0
280.02448	0.9
295.04913	25.6
309.08679	1.4
311.04276	1.8
313.06067	2.7
318.06665	1.3
325.61127	0.7
337.05820	7.3
337.12335	0.8
340.11005	2.8
349.07907	0.8
355.06839	1.6
363.16559	0.7
367.07016	1.9
379.06943	1.5
397.08255	4.1
415.09152	59.9
433.04105	1.4
433.10190	9.5
447.12152	0.9
475.11288	18.1
475.17752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01860	2.4
55.05515	2.3
57.03434	2.5
57.07067	2.0
58.49205	1.5
59.04972	1.6
62.04247	1.6
67.05504	9.3
69.03420	8.3
69.07058	2.9
69.82667	3.3
69.83063	6.2
70.06576	1.8
71.05003	7.4
79.05482	4.8
81.03401	4.7
81.07068	7.4
82.06589	1.4
82.89823	1.4
83.04942	2.7
85.02517	1.4
85.02921	15.2
85.06527	6.5
87.00812	7.2
91.05465	6.5
93.07034	9.2
94.06548	2.8
95.04958	5.7
95.08609	8.9
97.02880	5.5
97.06505	5.1
97.88731	1.5
98.21487	2.5
99.04421	3.9
100.69867	1.6
105.01874	5.6
105.07027	12.6
106.06622	1.8
107.08573	12.5
108.08031	1.8
109.02877	4.6
109.06519	74.7
109.10156	18.9
110.06795	1.7
111.08082	2.3
117.07009	3.4
119.08553	5.4
121.06508	2.2
121.10159	8.1
122.06036	2.1
123.08098	7.7
123.11711	2.4
127.03886	6.3
131.08568	20.4
133.10129	32.4
134.09575	1.9
135.08049	28.1
144.93539	1.6
145.04945	4.5
145.10104	6.1
146.05995	2.7
147.07916	1.5
147.11755	3.4
149.09610	2.7
149.13255	3.6
153.09138	3.3
158.10884	3.4
159.02945	2.0
173.13274	34.5
175.14818	1.8
176.07027	2.7
191.14310	100.0
192.14548	2.3
209.15373	62.1
209.17354	3.4
211.08644	2.4
231.04845	2.1
237.09921	2.0
249.10280	2.2
258.22092	3.1
263.08075	1.8
276.23215	9.6
277.09915	2.1
294.24261	5.7
313.07211	1.9
323.10391	2.5
330.12213	1.9
342.12320	3.6
343.12946	1.9
344.14285	2.4
346.15332	1.6
358.15594	2.5
369.96664	1.5
370.11737	3.8
371.12631	6.3
372.13391	4.8
385.14389	2.5
386.15054	9.4
387.15369	4.8
400.12674	2.0
414.14249	8.7
415.15219	23.6
428.16071	1.7
432.15393	2.7
446.16968	5.6
456.15649	7.5
474.16583	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	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
55.01875	2.3
55.05519	1.5
57.03414	1.1
57.07081	2.7
59.76894	1.0
63.87889	1.0
67.05505	7.7
69.03431	5.7
69.07059	2.3
71.04978	5.5
71.11370	2.6
73.02913	1.3
79.05492	4.6
79.18803	1.4
80.16726	1.1
81.03413	4.0
81.07062	6.5
83.08633	1.5
85.02904	8.2
85.06552	3.0
87.00836	4.2
91.05482	5.6
93.07049	6.5
95.04950	6.0
95.08615	10.2
97.02900	3.0
97.06522	1.6
99.04458	2.3
104.24940	1.1
105.01888	2.5
105.07048	6.7
107.07378	2.3
107.08606	10.0
108.08237	1.7
109.02921	2.5
109.06526	100.0
109.10162	28.1
110.06863	1.4
111.08110	2.5
117.07035	2.9
119.08598	3.7
121.06526	2.6
121.10152	6.2
122.09679	3.9
123.08076	13.0
127.03938	4.4
131.08578	15.2
133.10135	10.7
135.08061	44.9
143.08582	1.8
145.04904	1.8
145.10106	2.8
147.11707	3.9
149.09648	5.1
149.13260	1.6
150.09183	10.4
153.09123	3.8
158.10995	1.3
159.03017	1.6
161.03294	1.3
165.09119	3.1
170.50894	1.1
173.13278	19.5
191.14319	76.9
192.14653	1.3
209.15381	70.9
235.08723	1.2
237.10338	1.8
248.09573	1.6
249.10263	3.9
250.10951	1.2
251.11775	1.9
262.11041	2.9
263.11740	8.8
264.12613	1.7
265.13428	2.3
266.71127	1.1
275.11917	1.1
279.11316	4.8
281.12866	1.6
291.11285	8.3
292.12164	1.4
293.12936	5.4
309.12314	4.7
319.10922	4.7
321.12363	6.5
325.11874	4.7
337.11823	21.3
446.20749	3.0
474.20264	12.1
489.82874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
57.03416	0.9
67.05504	0.9
71.08687	1.5
79.05474	1.7
81.03417	1.7
81.07063	1.0
85.02909	2.0
91.05476	2.0
93.07047	1.8
95.04967	0.9
95.08617	1.4
105.07034	1.2
106.64571	0.8
119.08571	1.4
125.95819	0.7
129.06995	1.3
143.07109	0.8
147.08051	1.6
149.05972	1.8
150.69266	0.8
161.02333	4.2
161.05899	1.0
163.03931	1.0
165.09187	1.4
175.07497	1.6
177.05515	2.1
185.05966	1.1
203.07043	100.0
204.07430	1.8
209.08156	2.3
223.88872	0.9
267.79166	0.7
287.09155	5.1
327.44034	0.9
430.26071	0.8
444.40469	0.8
474.28424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84602	3.8
55.86306	3.6
56.83014	3.5
56.96556	4.6
57.16510	4.5
65.40342	3.7
69.07051	5.4
69.54781	28.0
72.89065	4.6
75.04443	4.5
79.05508	6.0
81.07029	6.1
90.03393	4.5
91.05474	18.8
95.08579	8.6
105.07034	7.4
107.04955	11.3
109.06518	6.5
109.10126	5.3
119.04949	6.1
122.69933	4.1
123.11721	5.0
133.02846	10.7
134.96344	4.2
135.04387	13.6
139.07396	4.0
145.66666	3.7
147.04367	3.9
149.05943	9.6
151.03914	10.1
151.07556	14.7
161.02335	11.0
161.05869	3.9
163.03885	8.8
170.53009	4.3
177.05527	4.9
189.01875	20.0
193.05081	5.3
195.06523	12.9
203.05272	7.9
203.07042	100.0
211.07562	5.5
239.05394	8.3
253.08569	5.0
257.08017	7.6
258.08551	4.8
269.07892	7.1
277.13852	3.8
338.01840	5.4
353.14099	6.0
365.10260	23.5
385.16055	7.5
397.12872	83.6
429.15640	34.8
474.27621	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	474.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.2
55.01859	1.4
55.05521	2.4
56.05032	1.8
57.03439	5.2
58.06595	1.9
64.54922	0.9
67.05486	1.3
69.03429	11.6
69.07080	1.3
69.53098	6.8
70.06580	4.4
71.04993	3.9
72.04529	1.0
72.08158	6.1
73.02920	2.2
81.03424	11.2
82.06576	3.6
83.04985	2.7
84.04504	1.1
84.08150	14.6
85.02912	50.3
85.06557	11.6
85.08929	2.1
86.09725	4.6
87.04465	1.9
91.05492	1.9
93.03464	0.9
94.75933	0.9
95.04971	2.9
96.08134	2.7
97.02913	5.3
98.09695	12.0
98.97594	2.6
99.04471	7.6
100.07599	1.7
100.11253	1.2
101.02380	1.0
102.05504	1.0
102.09192	13.5
107.04961	2.4
108.08118	1.8
109.02887	4.4
111.04451	1.8
112.07607	1.5
113.06003	6.7
116.10712	3.1
119.05016	1.3
121.02874	5.1
121.07595	1.6
123.04420	1.2
124.07604	2.0
126.09164	17.5
127.03934	5.9
131.04829	1.0
131.07050	7.9
135.04430	2.2
137.02354	16.2
142.08615	1.1
144.10202	28.0
145.04979	1.2
147.04369	1.5
149.02347	1.7
153.01750	1.5
155.03394	2.6
158.11778	10.5
161.02379	3.6
163.03909	2.5
167.03439	1.6
170.08174	1.0
175.03909	1.5
176.03419	1.7
176.12799	1.9
177.05531	1.7
179.03435	7.5
180.03723	1.5
182.08160	5.3
184.53391	1.0
191.03436	1.8
194.02031	1.0
203.03424	2.3
246.13481	1.2
263.05511	2.1
281.06604	4.3
288.14383	2.7
294.05264	2.5
295.06232	1.3
307.06018	3.3
313.06805	1.4
319.06409	1.2
320.16968	2.8
325.07114	2.7
337.07068	6.0
342.07040	1.4
355.08087	3.9
379.08115	1.3
391.08429	1.4
400.16132	8.0
424.15933	1.2
442.17068	13.1
457.11224	2.2
474.19708	100.0
475.19604	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32377	3.8
53.03946	11.7
55.01866	6.7
57.03450	3.6
63.06036	3.1
64.32088	3.7
67.05491	3.9
69.03445	23.6
69.07069	12.3
69.40099	9.8
69.40518	20.6
71.04993	7.7
72.08144	7.8
79.05503	5.6
81.03427	35.1
81.07063	12.8
83.04990	3.9
84.04514	7.5
85.02909	100.0
86.09713	73.3
87.00832	16.2
91.05463	5.7
93.07052	11.0
95.08628	8.5
97.02893	21.8
98.20760	5.9
99.04459	17.3
104.51624	3.2
105.01859	12.8
105.07051	10.7
107.08603	5.5
109.02885	20.5
109.06522	4.5
109.10149	16.7
111.08131	5.1
118.08665	5.8
119.08588	11.7
121.10139	12.3
123.08046	8.5
123.11717	62.3
125.05997	5.6
127.03916	31.1
133.10117	3.7
137.09671	4.3
145.04970	10.2
147.11674	11.7
149.09595	23.3
151.07510	8.5
159.02895	8.5
161.13223	9.7
163.03920	10.6
165.12727	6.3
167.10640	6.3
179.14345	5.5
183.11317	9.3
189.12738	21.0
199.18065	17.9
207.13795	67.1
225.14853	68.2
227.17584	11.6
229.11874	18.6
231.05104	7.9
247.12965	8.1
356.21939	3.3
437.18054	4.0
473.14029	4.7
473.19565	25.7
473.24533	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	473.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23631	0.5
69.03432	1.0
69.45114	4.2
69.45514	1.3
74.36726	0.6
78.38165	0.6
81.03417	0.8
81.07007	0.7
82.12865	0.5
85.02911	1.3
91.05470	0.7
98.20779	1.1
107.08566	0.7
109.02885	1.3
127.03886	1.0
143.03268	0.6
203.05292	5.0
207.13855	1.6
214.71159	0.6
225.14734	0.7
249.14664	3.9
293.13583	1.1
294.32266	0.6
311.14667	12.6
333.51102	0.7
411.19366	1.5
473.19971	100.0
474.20148	2.3
498.74258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28569	1.3
52.50581	1.1
53.03941	4.5
53.77630	1.3
55.01873	4.2
55.05515	9.7
57.03435	3.1
57.07069	1.6
61.02931	1.3
67.05504	19.4
67.19488	1.2
69.03444	12.4
69.07066	6.9
71.04987	5.6
71.57787	2.1
73.02910	2.0
74.93676	1.1
77.93668	1.2
79.05480	10.2
81.03407	13.1
81.07066	18.3
83.04980	4.7
83.08616	9.7
85.02907	17.4
85.06533	6.2
87.00826	6.2
87.04538	1.3
91.05486	8.5
93.07045	13.6
95.04972	24.0
95.08607	16.4
97.02893	10.2
97.06544	3.6
97.10158	3.0
99.04464	11.2
99.08075	2.0
105.01878	2.3
105.07033	13.5
107.04930	1.8
107.08605	20.5
109.02884	10.0
109.06522	11.5
109.10162	100.0
111.04470	2.1
111.08104	4.2
113.09653	2.0
117.07005	1.4
117.69133	1.3
119.08585	12.5
121.06504	3.0
121.10171	11.2
123.04449	1.4
123.08080	14.9
123.11739	6.2
125.09619	6.9
127.03899	10.8
130.08757	1.2
131.08580	3.7
133.06491	2.1
133.10135	5.7
135.08055	2.4
135.11684	5.7
137.05975	3.2
137.09613	3.4
137.13239	1.8
139.07498	1.7
139.11206	2.0
143.08569	1.7
145.04985	3.6
145.10114	4.4
147.08044	3.9
147.11705	11.1
149.09668	6.7
149.13264	4.2
151.07552	27.3
153.09114	3.1
159.02914	3.8
159.11656	2.8
161.09584	1.3
161.13258	4.8
163.07498	1.7
163.11176	8.6
163.14758	2.3
165.09064	8.3
165.12766	7.9
167.10680	3.4
169.19762	1.2
171.11813	1.8
173.13245	3.1
175.14825	2.2
177.09097	2.4
179.14293	1.8
181.12209	2.9
183.13826	3.7
189.12753	8.2
189.16405	1.6
191.10706	2.9
191.14282	4.2
203.14302	1.3
207.13811	40.5
207.17473	2.1
209.15396	3.2
215.10706	1.3
223.13399	3.4
225.14854	14.9
231.05020	2.1
237.14920	1.5
249.14853	15.4
261.14865	2.0
267.15967	2.9
287.23691	2.6
291.15875	4.3
293.24817	1.5
305.24704	2.3
351.17639	1.5
431.18549	1.5
437.17755	2.5
455.18945	2.2
460.99423	1.6
473.19528	6.6
473.27084	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	472.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	8.0
58.23035	3.7
63.08095	3.2
63.85781	3.4
64.47721	3.3
64.55845	3.7
67.05520	6.0
68.99802	6.2
69.90537	3.6
71.56281	5.8
81.07041	5.7
82.60206	3.3
85.02930	4.3
91.05477	9.9
93.07069	7.5
94.20023	3.2
95.08615	5.9
97.06556	3.9
103.03947	3.5
105.03395	3.9
105.07051	5.5
109.06514	4.9
115.03934	7.5
116.11675	3.3
119.08575	6.3
133.02855	26.8
135.04420	8.4
137.05952	11.8
143.03398	22.9
147.90239	4.1
155.99907	3.6
161.02338	5.0
163.03911	10.5
165.05492	11.2
191.03421	8.0
193.04962	49.0
203.07050	100.0
204.07188	3.4
205.13933	4.0
219.02872	40.1
222.38167	4.4
241.08734	6.2
267.08920	7.0
269.08075	31.8
285.10098	13.5
286.10379	4.0
395.11255	98.3
427.13995	38.6
431.15948	4.2
449.17172	5.2
456.62643	3.4
472.17651	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	472.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01870	1.9
57.03428	1.1
58.46267	0.8
65.37487	0.7
65.37836	0.8
67.05504	1.9
69.03425	2.0
69.07095	0.9
70.06614	4.2
71.04972	1.6
71.55451	1.2
72.08138	2.0
79.05482	1.3
82.06596	0.8
84.08143	2.4
84.60616	1.0
85.02917	2.5
85.06537	1.1
85.99888	0.8
86.09712	2.9
91.05479	6.6
93.07034	6.4
94.06577	1.8
95.04971	3.2
95.08620	0.9
97.10139	1.0
98.06058	1.0
99.04465	1.0
105.07043	2.1
107.08604	1.2
108.04488	2.0
108.08103	1.0
109.06527	1.1
110.06091	1.1
111.08097	3.3
117.06993	1.3
119.08598	1.5
120.08090	1.4
121.06533	1.6
122.06030	4.1
124.07598	2.6
129.10277	0.9
131.04942	1.9
131.08603	1.1
132.08147	1.1
134.09653	4.8
135.08066	2.6
136.07584	7.1
138.09155	1.0
140.07068	1.3
144.08122	0.8
145.02873	0.9
145.08676	1.0
147.06818	1.2
148.07608	1.2
152.10693	2.5
154.08679	1.1
160.07571	2.1
162.05574	1.4
162.09140	25.7
163.07532	1.6
163.08646	2.0
164.07059	1.0
166.08652	1.6
168.06549	2.3
169.88477	0.9
170.08101	1.0
172.07713	1.2
174.09209	1.6
177.10272	1.6
178.08653	7.3
180.10190	22.9
180.11696	1.5
184.07664	1.2
188.07050	1.1
190.08643	5.3
201.10121	0.9
202.08710	1.8
203.12109	0.9
205.09775	3.9
208.09695	56.8
219.11252	1.6
220.09683	1.2
223.06009	1.7
223.59451	1.0
224.06384	1.6
225.10301	1.4
228.10251	1.6
229.10434	1.7
231.11319	1.2
239.11798	1.1
241.09811	1.5
247.11682	2.1
255.11171	1.5
257.09244	1.0
265.11844	100.0
266.12143	2.6
271.10901	1.2
285.12454	1.1
289.11862	8.1
291.13446	3.5
313.11948	3.1
315.13370	2.8
317.11252	5.0
319.12970	3.8
329.11160	1.1
333.14536	3.5
429.16855	1.2
436.18958	1.5
454.19785	8.9
468.92899	1.0
472.20871	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	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.2
55.01861	3.0
55.05508	20.4
57.07074	4.5
65.03944	3.2
67.05508	32.6
69.03442	12.3
69.07079	26.0
70.06615	3.1
71.04987	4.4
71.58115	2.9
71.58550	3.8
79.05494	29.3
81.03429	6.3
81.07063	73.0
83.04986	7.4
83.08616	5.9
84.09346	2.6
85.02911	10.0
85.06511	4.7
86.09723	3.8
87.00842	4.3
91.05490	22.0
93.07050	58.3
95.04975	6.8
95.08611	100.0
97.02903	5.7
97.06554	5.4
97.10165	5.7
98.97627	2.6
99.04416	3.7
99.08072	4.5
105.07037	54.3
105.60695	2.8
107.08597	72.9
109.02872	5.1
109.06527	9.2
109.09450	4.6
109.10159	63.6
111.08096	24.3
117.07050	8.8
119.08589	62.6
121.06500	3.8
121.10143	53.9
123.08070	6.2
123.11723	24.6
125.09605	6.1
127.03931	7.8
130.07826	2.7
131.08569	17.5
133.10135	39.8
135.08064	8.6
135.11719	27.0
137.09671	6.1
137.13277	7.2
137.25478	2.9
139.11226	3.4
143.08563	10.4
144.09309	3.4
145.10135	45.4
147.11705	33.9
149.09622	7.4
149.13252	34.9
151.07561	8.5
151.14868	2.7
153.09114	2.7
157.10138	19.1
158.10861	3.7
159.11711	41.7
161.09604	8.0
161.13286	35.5
163.14828	18.1
165.09155	5.5
165.12756	6.9
169.10123	5.8
170.10954	3.1
171.11676	18.5
172.12550	2.6
173.09601	3.5
173.13266	30.6
175.11192	4.3
175.14813	29.0
177.12689	2.6
177.16405	16.0
179.06987	3.6
179.10646	2.7
183.11726	5.2
185.13306	15.9
187.14841	26.8
189.12781	3.1
189.16434	20.2
191.17949	9.1
195.10173	3.2
195.17477	3.9
197.13203	4.9
199.14807	9.7
201.16409	29.9
203.14391	7.7
203.17993	22.2
205.12320	5.0
205.15895	13.9
207.17473	12.5
209.13313	3.1
211.14856	5.9
213.16423	7.1
215.17917	7.3
217.15974	5.3
217.19527	9.6
219.13776	8.9
219.17439	8.2
221.19038	3.6
223.16879	11.6
225.16447	3.8
227.17935	4.9
229.15849	3.5
229.19525	3.5
231.13763	6.2
231.17520	3.4
233.15369	17.8
233.18878	6.3
239.18021	3.2
241.19568	3.3
245.15369	5.7
247.16917	15.0
253.19604	2.6
259.16901	5.6
263.16434	4.4
273.18347	2.6
277.18140	5.2
287.20142	5.2
291.19669	3.3
303.19675	3.8
309.27975	9.0
313.21674	2.9
389.32309	4.8
395.29340	4.4
407.33350	11.9
413.30521	7.4
423.32547	4.0
425.34048	8.8
435.32562	10.1
441.33566	15.0
453.33691	42.8
455.28741	2.7
471.22156	76.0
471.34900	20.0
472.22031	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	471.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01878	4.5
55.05514	22.3
55.80686	2.0
57.03432	7.3
57.07078	8.5
59.04974	1.8
61.02926	2.9
65.03937	1.8
67.05504	32.1
69.03439	12.7
69.07069	32.1
69.07748	1.5
71.04990	4.7
71.08630	2.2
71.58602	1.9
73.02948	2.1
79.05491	19.7
81.03418	6.9
81.07059	100.0
83.05000	5.0
83.08624	12.0
85.02901	35.7
85.06544	39.3
86.09727	1.6
87.00833	1.8
91.05486	16.0
93.07047	37.8
95.04958	7.0
95.08608	79.7
97.02880	10.6
97.06537	6.8
97.10183	17.6
99.04493	3.5
99.08092	35.5
103.05436	2.3
105.07018	22.3
107.05013	2.0
107.08593	39.5
109.02887	4.9
109.06514	5.6
109.10158	57.5
111.04472	3.4
111.08096	16.5
111.11740	5.4
113.09641	3.3
117.07082	4.0
119.08572	20.5
121.06522	4.2
121.10143	34.7
123.08067	5.9
123.11711	30.8
125.09653	9.6
127.03927	6.5
127.11185	4.0
131.08571	7.2
133.10129	14.8
135.08063	3.4
135.11687	23.2
137.06001	2.0
137.09592	2.4
137.13239	15.2
139.03859	2.6
139.11227	3.8
143.08528	4.0
145.04947	5.1
145.10136	8.9
147.04402	3.3
147.08098	4.0
147.11688	11.3
149.09621	3.9
149.13246	39.2
151.11241	2.3
151.14812	3.4
153.12726	7.5
155.40158	1.9
157.10149	3.6
159.11707	7.7
161.13258	8.3
163.11134	3.6
163.14818	23.2
165.09113	5.0
165.12659	3.3
167.07019	2.0
167.08527	2.2
167.14337	4.1
171.11673	2.7
173.13261	5.0
175.14890	6.0
177.16438	8.0
183.10138	3.0
185.13290	2.1
187.14755	2.7
189.16388	3.7
191.17921	6.0
203.17967	4.5
209.19011	2.3
211.20772	2.2
217.19572	7.2
223.13126	2.6
235.20573	5.5
265.25360	2.7
269.22415	2.4
273.25781	5.0
289.25421	2.5
291.26822	20.1
303.26785	2.6
309.27878	18.5
381.27893	2.3
385.18387	2.4
387.28583	2.5
399.28854	6.1
417.29968	5.4
427.19406	7.6
435.31207	4.3
453.32413	2.5
471.18655	13.2
471.26962	3.7
471.33258	4.2
472.19980	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	471.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02454	3.7
52.56431	3.6
53.03946	18.6
55.01870	9.8
55.05509	20.4
57.03441	10.0
57.07078	7.4
60.29872	4.0
61.02932	9.1
67.05518	27.4
69.03436	50.3
69.07073	27.8
71.04990	14.8
71.57672	4.9
73.02914	11.1
73.46764	3.9
78.17982	4.7
79.05476	25.1
81.03423	51.5
81.07063	58.9
81.93129	3.9
83.04973	6.2
83.08639	4.3
84.08154	9.2
85.02910	100.0
85.06552	16.1
87.00830	34.3
91.05489	27.7
93.07053	42.7
95.04975	8.4
95.08607	50.9
97.02906	36.0
97.10173	14.4
99.04476	16.0
105.01867	16.9
105.07040	32.3
107.08599	70.4
109.02888	35.7
109.06528	9.3
109.10157	31.8
111.04461	5.0
111.08088	10.2
113.09677	6.7
119.08577	25.4
121.06545	6.1
121.10142	42.9
123.08052	10.8
123.11711	28.1
125.09648	7.7
127.03916	62.5
129.01869	7.8
131.08609	11.1
133.10136	19.7
133.33394	4.2
135.11719	24.9
136.20006	4.2
137.09660	14.4
143.08521	5.7
145.04968	17.7
145.10136	16.1
147.11728	23.0
149.09605	17.6
149.13257	61.1
151.11198	12.0
157.10133	8.8
159.02931	15.8
159.11752	10.7
161.13292	18.2
163.11237	6.2
163.14847	15.2
165.09148	6.5
165.12778	4.3
171.11685	5.3
175.14900	8.2
177.16342	4.3
181.10107	5.3
185.13237	6.0
187.14822	6.2
189.16367	6.6
189.78987	4.1
205.15952	9.1
205.19505	36.2
213.16388	4.8
217.19536	7.7
223.16953	69.6
231.05016	9.5
313.21429	6.1
335.09039	4.8
357.85397	5.4
425.20520	4.7
453.24689	7.8
471.20996	14.3
471.26572	7.9
472.20694	5.8
494.69186	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	470.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.05502	2.7
56.96555	1.5
57.03442	1.4
61.02914	1.2
65.03938	1.4
67.05479	1.5
69.07062	2.7
70.04607	3.7
79.05484	2.1
81.07054	2.1
85.02895	1.3
91.05485	41.8
93.07032	1.8
95.08633	1.4
96.59166	1.1
97.02892	1.5
99.04451	2.1
105.03393	2.3
105.07061	2.2
107.08588	2.8
109.06454	1.4
109.10129	2.1
119.08517	2.1
120.41593	1.0
121.06570	1.3
127.03938	9.1
128.04260	2.8
145.10155	1.7
147.08069	1.1
159.04411	1.6
166.07733	3.0
167.08569	1.4
179.08553	2.9
181.10165	4.0
189.05501	6.1
191.08560	1.7
194.07260	2.4
203.07072	4.7
204.07414	2.8
209.09586	3.6
211.11221	2.1
212.72075	1.2
224.08336	1.7
237.09099	5.9
239.10670	3.8
241.08919	1.3
249.09090	2.2
255.10364	1.4
267.10184	100.0
268.10608	2.8
279.67535	1.2
285.11246	8.2
360.14328	1.4
389.21210	19.9
407.22198	67.9
408.22739	1.6
420.30417	1.3
436.28436	3.3
438.12585	1.6
470.33646	1.4
471.17853	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	470.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01882	1.1
55.02234	0.5
55.05502	1.5
56.05033	4.6
56.73462	0.5
56.96564	3.0
57.03444	4.0
58.06370	0.4
58.06597	3.5
58.72926	0.4
59.05006	0.7
61.02923	1.0
65.03944	1.1
67.05505	3.5
69.03431	3.8
69.07059	1.6
69.83293	1.5
69.83714	0.8
70.06601	2.2
71.01359	3.9
71.04993	2.7
72.04510	0.6
72.08161	2.6
73.02921	4.8
73.06538	1.0
73.33407	0.4
75.04482	0.7
79.05499	0.7
81.03426	1.6
81.07049	0.7
82.04202	1.3
82.06575	0.5
83.01333	1.0
83.04978	5.1
84.08146	12.2
84.96017	0.6
85.02908	14.0
85.06539	1.9
85.08920	1.4
86.06062	0.7
86.09704	1.8
87.04473	0.7
91.05460	0.4
93.03416	3.7
93.07056	0.5
95.01328	2.9
95.04988	0.5
96.08144	1.4
97.02894	3.9
97.06538	13.2
98.09696	13.2
98.97596	5.8
99.00804	1.0
99.04452	1.5
99.08102	1.0
101.02383	1.6
101.06023	0.4
102.05563	0.6
102.09180	1.2
103.02279	0.4
103.03933	1.8
108.08128	1.0
109.02876	0.9
110.09686	4.3
110.97559	1.4
111.04446	5.4
112.07616	4.1
112.99124	0.7
113.02388	4.4
113.06073	0.5
115.03912	0.7
115.07562	1.7
116.10736	44.4
116.98621	2.4
125.05997	21.5
126.09170	2.0
127.03906	1.7
127.09950	1.1
128.09785	0.7
128.10728	10.8
128.98602	1.5
129.05469	0.6
129.09131	2.8
129.10039	0.5
130.08636	2.0
131.00179	0.8
131.03406	2.0
134.99625	0.8
136.07536	0.5
138.09146	1.8
141.01839	4.6
142.12280	2.5
143.00127	0.6
143.07050	2.5
144.10193	1.2
146.99655	0.6
147.04463	0.7
154.08675	0.9
156.03401	0.4
156.10216	5.3
157.08737	0.6
158.11754	0.9
158.99684	1.4
159.02905	0.9
163.04001	0.5
167.07030	0.5
170.99640	0.5
172.09645	2.5
173.01176	0.6
177.00684	1.0
185.08154	1.1
186.04376	0.8
187.02788	0.8
188.12827	12.9
189.00623	0.6
198.04942	0.4
201.00749	0.5
212.06207	0.6
217.03833	0.5
217.10719	1.6
219.01727	2.7
220.02257	0.5
228.15927	0.5
229.75998	0.5
230.13925	1.4
237.02855	2.5
261.02795	0.5
262.16495	6.2
294.19202	1.1
295.07092	0.5
304.17856	0.6
320.07336	0.5
394.51855	0.5
406.17035	1.8
410.10553	0.7
438.19742	25.3
439.19879	0.8
470.22305	100.0
471.22409	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	470.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96494	1.5
69.07068	2.0
69.71172	1.4
71.56322	2.3
76.28217	1.3
77.97805	1.5
79.05494	2.2
81.07059	2.8
83.66463	1.4
85.02894	1.9
90.45097	1.3
91.05473	3.6
94.56805	1.3
95.04958	1.4
95.08602	2.0
99.04392	1.4
105.07047	2.4
107.08643	1.8
117.07054	1.4
119.08581	2.7
127.03909	3.0
133.10143	2.4
139.07562	1.8
147.08101	3.0
157.10257	1.8
161.02367	4.6
161.06029	2.1
162.71497	1.4
163.03871	2.0
167.03497	1.7
185.05946	1.9
186.84232	1.6
203.07043	100.0
204.07431	2.0
223.06059	2.7
261.28873	1.4
275.08905	1.5
363.12320	3.0
375.99191	1.7
379.12277	2.3
381.13367	2.1
407.11212	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	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35810	5.2
55.01878	10.5
55.05511	26.6
57.03444	13.9
57.07083	10.1
61.02943	6.8
67.05514	52.4
68.99790	11.1
69.03439	44.4
69.07066	33.2
71.04997	32.7
79.05489	27.9
79.56551	5.4
81.03435	39.7
81.07053	96.8
83.04982	17.8
83.08623	17.1
85.02912	65.6
87.00834	23.7
91.05492	44.2
93.07047	68.0
95.04974	25.3
95.08614	100.0
97.02905	35.0
97.06526	12.6
97.10190	12.3
99.04453	17.3
105.01884	12.7
105.07050	87.9
107.04964	10.6
107.08604	90.0
109.02890	20.6
109.06529	10.0
109.10161	64.2
111.04447	14.6
111.08133	12.1
111.11746	7.1
115.03956	11.2
115.05425	7.8
117.07024	17.8
119.04966	7.0
119.08580	81.7
121.06532	13.4
121.10152	51.7
123.04422	14.5
123.08111	10.4
123.11696	37.3
127.03919	24.9
127.11242	21.2
127.40099	6.2
128.06218	7.9
128.52467	5.2
129.01860	7.9
129.07028	10.4
130.07776	5.8
131.08586	33.3
133.10132	60.6
135.04445	8.6
135.08067	20.7
135.11716	38.0
137.06032	7.2
137.09615	17.2
137.13269	15.0
139.11115	5.9
142.07828	8.0
143.08569	15.0
145.10109	39.6
147.08066	10.3
147.11711	61.4
149.09598	13.0
149.13306	29.0
151.11128	7.5
153.12740	8.9
155.08578	11.3
156.09276	11.5
157.10146	29.4
159.02858	7.1
159.08078	14.1
159.11693	37.4
161.09625	11.3
161.13315	16.1
163.11246	7.4
167.08577	8.1
171.08078	9.4
171.11674	21.0
173.13266	20.8
175.11183	11.3
175.14847	18.9
177.12740	7.9
181.10150	7.7
183.11736	16.4
185.09671	8.1
185.13382	14.3
187.11058	7.1
187.14825	12.8
189.12717	10.2
189.16379	16.3
201.03979	8.8
201.12793	13.0
201.16460	15.7
203.14301	7.0
203.18008	43.7
219.17366	17.0
221.15402	10.2
221.18950	16.1
225.12711	7.6
227.14418	8.0
227.17952	6.1
233.19067	9.6
241.15891	8.6
243.13933	9.8
245.19032	13.8
257.19238	7.0
263.20166	8.8
311.19910	17.2
316.46002	5.9
329.20956	10.5
331.16937	6.2
347.21695	6.7
397.86349	7.7
433.22284	12.7
451.23367	17.2
469.24197	21.3
469.32373	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	6.1
53.03931	15.7
55.01874	12.0
55.05512	37.1
56.96570	9.2
57.03426	14.2
57.07082	6.9
59.21559	5.1
61.02930	8.1
67.05504	34.1
68.99792	13.4
69.03435	41.0
69.07083	33.6
70.06572	6.3
71.05002	32.9
71.58684	8.2
79.05489	31.0
81.03413	33.9
81.07060	100.0
83.04973	13.1
83.08614	19.7
85.02915	52.6
85.06544	13.7
87.00829	28.5
91.05480	42.9
93.07047	66.8
95.04946	23.9
95.08614	75.7
97.02893	23.9
97.06534	18.2
97.10163	11.2
98.97566	6.3
99.04466	13.9
99.81966	6.7
100.23399	6.5
105.01859	12.8
105.07027	77.9
107.04951	10.3
107.08595	70.7
109.02880	25.8
109.06512	17.2
109.10155	61.9
111.04465	10.1
111.08085	10.6
111.29790	4.6
115.03914	7.5
117.07022	18.1
119.07765	8.3
119.08575	60.8
121.06425	9.2
121.10157	63.0
123.04406	15.2
123.08088	12.7
123.11700	37.0
125.09629	7.7
127.03908	25.9
127.11204	35.6
129.01823	13.0
129.06987	8.5
130.07915	5.7
131.08566	29.7
133.10124	59.0
135.11661	21.6
137.06056	9.5
137.09592	15.3
137.13249	12.3
139.07591	10.0
142.07787	11.3
143.08548	22.6
145.04970	13.2
145.06522	7.1
145.10118	52.2
147.08032	10.3
147.11719	39.3
149.09613	9.5
149.13200	13.8
151.11201	9.9
153.06943	5.8
155.08614	9.8
156.09381	6.7
157.10120	21.0
159.02873	11.7
159.11696	55.9
161.13252	26.9
163.11189	6.5
165.09062	9.5
165.12651	8.2
169.10123	13.0
171.11670	19.7
173.13287	13.9
175.07530	7.0
175.11191	7.2
175.14931	7.7
177.12712	6.8
183.11618	17.6
185.13301	14.5
187.14870	8.3
189.09073	7.7
189.16406	10.7
193.19514	5.8
197.13203	12.7
201.12686	9.0
201.16454	29.3
203.18033	27.4
215.18097	8.4
217.15968	7.2
219.17412	12.6
221.19131	10.0
223.14857	7.3
225.12802	9.7
227.17973	12.9
231.17412	7.2
239.17995	6.2
241.15955	7.5
245.19063	12.2
255.17442	6.0
285.07355	8.3
311.20114	19.6
315.08679	14.0
329.21048	21.7
379.05042	6.1
433.22055	13.8
451.22928	16.6
469.20084	68.1
469.33209	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	469.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28314	0.4
56.96289	0.5
56.96564	7.6
70.15693	1.6
84.96027	3.0
90.96889	0.4
98.21349	0.5
98.97588	26.8
101.32754	0.4
105.17069	0.3
110.97577	9.6
112.99137	5.3
115.00712	1.5
116.98627	5.0
117.99089	0.4
121.23981	0.4
124.99126	2.0
126.97105	1.0
128.98611	5.8
131.00195	2.9
133.01743	3.1
134.99652	0.7
140.98572	2.4
143.00179	4.4
144.98082	1.9
146.99661	1.2
149.01204	0.9
151.02791	0.9
152.98611	3.3
157.01756	1.1
158.99669	7.7
161.01218	3.0
162.99187	0.7
170.99658	3.9
173.01207	0.4
175.02788	3.9
177.00719	4.2
179.02307	0.6
182.99660	1.1
187.02750	0.7
189.00720	2.1
189.04446	0.5
193.03844	0.8
201.00693	5.6
203.02307	0.6
211.02762	0.8
213.00746	0.9
217.03850	2.9
219.01768	27.5
229.03809	1.4
231.01791	0.5
235.04886	1.9
237.02834	22.2
249.02870	0.9
251.04478	0.6
255.03946	0.6
277.05954	13.6
293.05563	0.6
295.07007	34.8
296.07288	0.4
318.08469	0.5
365.59436	0.4
373.08203	0.7
409.10184	100.0
410.10532	1.7
469.12460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59033	0.4
53.03926	0.6
60.24674	0.4
67.05492	0.6
69.07063	1.1
71.00827	0.4
71.58258	0.5
71.58701	0.5
79.05489	2.3
80.04988	1.2
80.93766	0.4
81.03404	0.8
81.05788	1.1
81.07052	0.7
82.06557	1.9
84.83384	0.5
91.05491	2.5
93.05744	0.4
93.07039	5.6
94.06571	6.2
95.04959	0.5
95.06806	0.6
95.07355	7.4
95.08594	1.0
96.08134	13.8
97.06497	1.6
97.62251	0.4
103.05471	1.1
105.05793	0.6
106.06541	0.7
107.08583	0.8
108.04475	1.1
108.08114	6.1
109.08929	0.9
110.09687	28.0
118.06486	0.6
120.08115	15.8
123.06821	0.6
132.74025	0.5
134.06013	1.2
136.07568	1.6
138.05499	0.5
138.09145	26.7
139.09491	0.5
146.05989	0.6
148.07559	4.5
161.07094	3.4
166.08649	38.1
167.09062	0.4
168.06514	0.7
168.57272	0.4
168.67450	0.4
173.10707	0.6
176.07086	0.7
187.08707	1.4
194.08032	1.0
199.08623	0.7
201.10245	3.8
215.08160	0.6
215.11798	1.5
225.10254	1.0
226.08817	0.5
226.10988	0.9
227.08279	0.7
229.09731	2.3
229.13239	0.9
239.11833	0.9
241.09892	0.5
243.11241	1.7
247.10852	0.6
247.14317	1.1
252.00821	0.4
255.11333	0.7
257.12775	3.7
267.11349	1.1
275.13852	5.1
285.12320	4.9
297.12317	1.7
300.10529	0.9
303.13400	100.0
304.13724	3.2
315.13394	5.8
318.11603	1.0
372.95505	0.5
450.20242	0.9
468.21317	19.5
469.21796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01861	0.7
62.33433	0.5
67.05489	0.7
69.03429	0.8
69.07072	0.8
70.06595	0.5
71.04977	0.5
71.58149	0.6
78.04739	0.4
81.03424	1.0
81.07054	0.6
84.08118	0.5
85.02923	0.9
89.03923	7.7
91.05473	0.9
93.07021	0.6
95.04938	0.6
95.08616	0.5
96.08096	0.5
97.02894	0.6
98.97589	0.5
100.07625	1.9
106.04166	0.5
107.08573	0.7
112.07607	2.3
117.03385	23.6
119.04967	0.4
120.08099	0.6
127.03861	0.4
130.08643	6.7
134.03619	1.6
135.04422	1.3
145.02856	50.2
146.03209	1.1
147.04390	0.4
149.05978	8.8
153.28140	0.4
162.05490	0.5
163.03940	0.4
166.08685	0.5
171.29048	0.4
177.05481	100.0
178.05807	1.4
186.05450	0.8
197.35179	0.5
303.04791	0.5
304.05420	0.9
321.09702	1.1
339.10605	2.0
468.21707	1.3
469.16907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
69.03435	0.8
69.07063	0.7
69.21816	3.4
70.06604	0.5
78.04729	0.5
79.05469	0.6
81.03418	0.9
81.07074	0.7
84.08150	0.4
85.02892	0.6
87.00816	0.3
89.03391	0.7
89.03918	8.7
91.05476	1.0
93.07047	0.4
93.25457	0.3
95.04987	0.5
97.02887	0.4
100.07596	0.4
105.07019	0.5
107.08567	0.5
109.02828	0.4
109.10163	0.3
112.07613	2.3
117.03384	20.6
119.08638	0.4
130.08632	6.8
133.10077	0.4
134.03647	1.9
135.04434	0.9
141.12764	0.3
145.02849	54.9
146.03224	0.6
147.04317	0.4
149.05981	6.8
163.03894	0.4
177.05475	100.0
178.05807	0.8
185.15414	0.5
186.05565	0.8
235.09607	0.4
270.10068	0.3
321.09613	1.3
339.10764	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	468.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
56.05024	1.6
56.29256	0.4
57.03437	1.1
57.84735	0.4
58.02960	0.5
58.06578	0.5
58.79135	0.4
66.56619	0.5
67.05471	0.6
68.21613	0.4
69.03429	3.0
70.06589	1.4
70.72604	1.4
81.03407	0.5
81.05782	0.5
83.04986	5.1
84.08164	0.5
85.02895	2.6
85.06563	0.9
87.04472	1.3
88.03995	0.4
96.07549	0.8
96.08133	10.5
97.02888	1.9
99.08085	1.1
101.08243	0.4
102.09191	4.0
109.02866	0.6
112.48102	0.5
114.09176	12.3
115.03928	1.2
124.07601	16.9
126.09126	0.6
127.03910	0.5
128.10724	2.8
133.05005	0.9
142.08658	2.4
156.10204	1.5
157.05006	0.6
158.11792	0.6
174.11267	100.0
175.11589	0.8
178.30928	0.4
180.48944	0.4
204.29016	0.4
205.34581	0.4
336.16470	0.8
468.24545	2.5
469.13028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1109
Annotation	Shoreaphenol
Peak:m/z	Relative Intensity
52.59901	2.5
56.96572	21.9
67.05503	4.2
69.07063	4.1
69.69862	19.0
71.80476	2.6
79.05509	5.8
81.07052	8.3
88.07679	2.8
91.05472	6.2
92.85860	2.8
93.07073	5.3
94.44344	2.6
95.04980	3.1
95.08607	3.5
97.96851	2.8
105.07013	6.6
107.08550	3.7
109.10172	3.7
110.97585	6.0
119.08627	5.6
123.08082	3.7
125.07787	3.0
128.98619	7.3
133.10115	3.7
145.10130	3.5
146.99609	5.7
149.02318	5.0
161.01215	3.1
193.04996	5.2
202.19856	2.9
209.13365	3.3
218.99644	3.6
237.07574	5.4
315.16266	36.8
331.15756	4.1
333.17368	58.8
351.18396	19.9
356.19150	5.0
377.07285	3.1
395.07864	5.3
407.20993	5.3
409.09818	4.3
435.08554	5.3
466.69025	2.7
467.10992	100.0
467.31860	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	467.2103
Annotation	CARAPIN-8 (9)-ENE
Peak:m/z	Relative Intensity
66.45829	0.3
69.03426	0.4
70.06598	0.6
70.99103	0.4
70.99549	0.8
71.05010	0.4
72.08157	1.1
81.03435	0.8
81.04534	1.7
81.07076	0.4
85.02895	0.8
88.04015	0.4
95.06070	1.1
97.02876	0.5
97.99316	0.3
98.09689	0.7
98.97572	0.9
109.02888	0.8
112.67348	0.3
115.30576	0.3
116.98656	0.5
124.07681	0.3
125.07121	1.3
126.06631	0.4
126.09194	1.2
127.03916	0.6
132.04480	0.5
138.05481	0.3
141.10204	1.7
143.08154	6.1
151.06187	0.4
153.01871	0.4
163.03888	2.3
169.09749	5.0
187.10849	1.5
188.03793	4.4
188.09152	0.5
229.11909	0.4
237.02856	0.4
259.11865	2.1
277.12851	0.5
293.09045	0.6
296.59192	0.4
302.12543	1.1
305.15729	13.1
313.14072	0.8
314.07071	0.6
407.12476	0.8
425.16513	0.4
449.15051	0.5
467.21078	100.0
468.21326	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	467.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84291	1.4
57.07073	1.9
59.06131	47.4
60.70678	1.8
67.05501	5.9
69.07076	8.1
71.57984	2.8
79.05487	2.0
81.07049	5.8
81.53543	1.6
83.08642	1.6
89.06028	1.6
91.05489	5.8
93.07041	4.0
95.08609	6.0
105.07039	27.2
107.08605	3.8
109.10154	7.1
117.06982	2.1
119.08589	52.1
121.06526	2.2
121.10084	1.8
133.06537	1.9
133.10101	6.4
135.11665	2.3
145.10181	2.1
147.11664	2.9
147.94058	1.4
157.38036	1.5
161.06017	1.9
164.04680	3.1
177.05493	10.1
192.04219	4.5
203.18002	7.3
205.04965	13.3
207.06548	100.0
267.67844	1.9
409.23767	34.7
467.37198	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	466.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.4
53.03942	4.1
55.05529	10.9
57.07067	3.4
57.15080	1.3
58.02961	3.7
58.06591	6.6
60.04530	9.2
65.03931	3.5
67.05509	23.0
69.07071	54.5
70.06597	12.0
70.62043	2.8
70.62385	1.8
71.04971	1.4
72.08152	6.2
79.05492	19.4
80.05003	1.5
81.07060	77.0
82.06605	2.2
83.08624	7.7
84.08149	29.6
86.06062	4.3
90.89386	1.3
91.05485	17.4
91.57744	1.7
93.07050	41.6
94.06563	7.7
95.05000	3.4
95.08614	39.6
96.08133	14.5
97.06542	2.9
97.10177	2.3
98.09688	2.8
105.07037	31.6
107.07400	2.8
107.08598	42.7
108.08117	14.9
109.06557	2.4
109.08935	3.5
109.10165	24.4
110.09724	7.7
112.07606	6.1
114.09223	2.3
117.07017	3.4
119.08586	25.7
120.08100	3.4
121.08916	1.9
121.09243	1.9
121.10148	22.2
122.09651	7.5
123.08005	2.4
123.11697	13.0
124.07626	3.0
124.11250	4.6
126.09150	12.9
129.06993	2.2
131.08548	9.6
133.10153	13.4
134.09665	12.8
135.11699	23.6
136.11255	4.4
137.13281	6.6
138.09164	3.9
138.12799	2.9
143.08627	2.3
144.09320	2.1
145.10092	9.4
146.09648	2.2
147.11678	16.0
148.11203	4.6
149.12097	2.5
149.13210	9.7
150.12773	7.2
152.14337	18.0
157.10132	5.6
159.11740	9.4
161.13255	9.7
162.12805	3.3
163.13596	2.5
163.14873	4.5
164.14429	1.5
171.11745	2.5
173.13313	9.4
174.12840	2.3
175.14864	4.9
176.14380	3.3
177.16405	3.1
183.11711	2.2
187.14862	4.5
189.16487	4.1
190.15915	2.0
191.17833	2.4
192.13829	4.1
192.17526	2.4
194.15456	4.6
199.14812	2.1
201.16400	2.9
203.18011	4.1
213.16472	1.9
215.17908	2.6
218.19086	14.6
220.20670	4.9
227.18024	2.4
229.19734	2.1
236.20135	2.2
269.22766	1.9
272.23779	3.6
316.23175	1.7
316.26480	2.2
340.30014	13.9
408.36288	32.8
448.39496	3.8
466.40509	100.0
467.40768	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	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.05512	1.5
56.18924	1.2
57.03426	3.3
57.07059	2.2
61.02915	2.5
67.05527	5.3
67.05811	1.1
67.26041	1.0
69.03429	10.7
69.07061	3.6
70.00883	1.0
71.16929	2.5
73.02922	9.4
79.05493	9.4
81.03420	1.7
81.07063	100.0
85.02914	18.9
91.05454	1.2
93.07053	2.5
95.08605	16.0
97.02904	12.8
105.07014	1.6
107.08598	1.1
109.02889	2.0
109.10170	2.2
111.08244	1.1
115.03929	6.8
127.03941	8.5
133.04967	12.0
135.11641	1.5
137.13268	25.6
145.04967	12.0
150.48285	1.1
159.11771	1.4
163.06044	5.4
175.46898	1.0
201.16434	1.2
223.06003	1.6
241.06984	2.0
259.08069	2.5
260.08368	1.0
293.13907	1.1
295.10492	3.1
304.05310	1.7
423.30521	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.05517	10.8
56.05021	2.1
57.07068	5.8
58.02954	3.2
58.06588	5.3
60.04523	8.6
62.37040	1.3
65.03934	4.0
67.05167	2.0
67.05506	29.0
68.05038	3.1
69.06721	2.9
69.07072	41.6
70.06596	12.9
70.62106	4.2
72.08144	6.1
79.05499	22.5
81.07062	74.6
82.06562	4.3
83.08623	7.6
84.08147	29.5
86.06059	3.5
91.05494	20.9
93.05753	1.6
93.07053	50.6
94.06599	7.0
94.13921	1.4
95.04964	4.4
95.07343	2.6
95.08608	39.9
96.08144	14.3
97.06528	1.9
97.10163	2.1
102.36353	1.3
104.16492	1.7
105.07035	32.4
106.06549	1.6
107.07411	2.1
107.08598	42.2
108.08120	15.6
109.06548	3.8
109.08960	2.5
109.10156	28.8
110.09692	9.4
111.08065	2.4
112.07601	4.0
114.09165	2.0
117.07020	3.3
119.08592	19.1
120.08105	4.3
121.10139	19.4
122.09670	6.5
123.08137	1.6
123.11741	9.1
124.07589	3.0
124.11234	3.5
125.09553	1.6
126.09164	11.0
131.08582	9.2
133.10135	14.7
134.09686	5.3
135.08022	1.7
135.10518	3.6
135.11697	26.5
136.11244	4.4
137.13274	4.9
138.09146	3.5
138.12788	2.9
143.05959	1.4
143.08557	4.6
144.09355	1.8
145.10123	9.8
146.09610	3.1
147.10577	2.9
147.11664	13.3
148.11197	4.5
149.13200	7.8
150.12794	18.3
152.14351	15.2
155.08607	1.4
157.10130	5.6
159.11670	10.0
160.11212	1.8
161.13269	9.5
162.12842	3.6
163.14842	1.9
168.13943	1.7
171.11719	4.4
173.13272	4.9
174.12906	1.8
175.14870	5.7
177.16446	2.8
180.13811	2.2
185.13333	2.4
187.14867	2.8
189.16438	3.3
190.15933	2.5
191.17992	2.4
194.15387	3.9
197.13222	1.8
199.14796	2.0
200.26888	1.4
201.16391	2.6
202.15761	1.5
203.17953	5.4
213.16496	2.1
215.18053	1.9
217.19548	2.6
218.19165	2.6
220.20648	2.6
257.22672	2.2
272.23767	4.4
326.16437	1.3
340.29974	15.3
384.32697	3.3
408.36328	16.4
448.39520	2.2
466.40494	100.0
467.41022	2.8
487.35193	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76798	1.2
53.03944	1.3
55.01872	2.3
55.05507	5.3
56.96570	1.6
57.03456	2.9
61.02930	2.2
63.09644	1.2
63.70158	1.3
67.05496	2.4
67.65806	1.1
69.03438	10.3
69.07069	9.6
70.06607	8.9
71.05005	3.1
71.55199	2.0
72.08146	4.4
72.13055	1.4
73.02926	1.8
77.34628	1.1
79.05486	3.0
81.03422	5.6
81.07060	10.5
82.06587	2.7
83.04988	2.5
83.08627	5.5
84.08145	2.9
85.02917	18.7
91.05461	2.2
93.07076	1.4
95.04980	3.8
96.08134	1.8
97.02883	6.8
97.05259	1.2
98.06075	1.7
98.09671	4.0
98.97570	4.3
99.04435	2.1
99.08022	1.2
105.07056	2.3
105.71214	1.2
108.08115	2.8
108.59988	1.4
109.02872	4.6
109.06528	7.8
110.06075	2.5
111.08085	1.6
112.07619	1.8
114.32008	1.2
116.98655	2.7
119.04946	1.5
121.10146	3.7
123.04425	2.9
124.07616	9.1
126.09171	39.3
127.03956	7.6
127.07545	6.8
127.09539	1.3
130.06526	1.8
131.04900	1.7
136.07570	1.8
137.05975	2.8
138.05458	1.4
140.07069	9.0
140.10860	1.6
144.10237	2.1
145.04953	4.4
146.06032	1.7
151.03915	1.7
154.08644	100.0
155.07034	16.3
156.06544	1.9
168.06581	22.7
172.09705	71.0
177.05525	1.6
186.07681	2.7
188.03833	2.2
232.10832	1.8
232.15210	1.4
242.09203	2.8
259.11942	1.9
260.10236	2.3
286.12601	6.0
303.05139	2.5
304.05307	5.8
304.13464	6.6
305.13510	7.9
312.10706	1.7
316.04849	1.7
316.13928	3.9
334.14917	9.3
399.09930	1.6
466.21979	2.5
467.18982	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	466.1864
Annotation	Aristoquinoline C
Peak:m/z	Relative Intensity
52.09884	0.9
56.05016	1.2
56.57740	0.8
60.64829	0.8
70.06595	51.9
73.07114	0.9
79.05484	2.0
81.03388	0.9
81.07039	1.1
91.05487	3.0
97.06528	3.7
98.20704	2.0
106.80231	0.9
109.06553	1.0
110.06042	1.4
115.05455	1.3
117.07055	1.5
119.08559	1.1
121.06574	1.1
128.06235	1.6
129.07016	19.5
129.07915	1.6
131.04953	3.1
133.02872	2.3
135.23911	0.8
135.43797	0.9
141.06978	1.5
143.04968	1.2
145.06531	2.2
147.04413	2.4
147.08090	2.7
157.06499	25.5
159.04466	2.5
159.08105	1.1
160.05151	1.5
161.05969	3.9
163.03937	1.9
165.05534	1.6
171.08023	1.1
173.06027	1.4
174.06624	1.0
175.03952	4.4
175.07622	1.8
177.05476	6.5
178.08679	3.4
185.05989	25.4
186.06470	1.1
187.03934	3.0
189.05508	2.9
189.09109	4.1
191.07048	2.5
192.06551	1.4
193.05022	1.4
195.06578	1.3
201.05421	1.2
201.09163	2.4
203.07047	19.9
204.10271	2.2
206.08145	1.7
207.06560	1.8
207.08707	1.4
211.07565	1.6
213.09100	2.2
215.07153	1.3
217.08603	8.5
218.09380	1.8
219.10170	1.0
224.09221	3.7
225.09096	2.0
227.06987	2.2
229.08611	7.5
232.09682	1.4
234.11246	17.2
238.10622	1.5
241.08507	1.7
243.10130	9.1
244.09758	1.2
246.11266	2.1
247.12003	1.7
264.12451	1.9
272.09219	1.2
279.10114	1.0
351.11981	1.2
353.13913	3.4
367.11465	1.6
369.13339	3.1
375.12177	1.1
387.12067	1.7
391.15512	1.1
397.12823	3.6
403.15375	1.2
416.15332	1.2
418.16623	1.6
419.14648	5.0
420.18079	4.0
420.99295	1.1
431.15167	1.0
433.15417	1.0
434.15829	1.1
436.17770	7.1
437.16104	4.5
438.18857	4.2
448.17633	12.4
449.16254	2.7
466.18655	100.0
467.13138	1.0
467.18283	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	465.2249
Annotation	JS 49
Peak:m/z	Relative Intensity
60.58306	0.4
70.88641	0.4
71.04970	0.4
71.58314	0.6
81.07037	0.8
91.05475	0.8
93.07056	0.6
95.04971	0.4
95.08607	0.7
105.07005	0.5
105.42068	0.5
107.08612	0.5
107.76999	0.6
112.37151	0.5
115.00429	0.4
119.08613	0.5
135.11635	0.6
139.57777	0.5
151.03957	0.7
203.07068	1.2
217.07649	0.5
227.03162	1.4
289.08197	0.7
295.05984	2.0
303.04965	3.7
307.09491	1.6
429.20432	9.6
447.21475	100.0
448.21857	3.4
465.22910	16.5
465.29642	1.1
465.36279	0.6
466.22736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.8
55.01870	2.3
55.05519	2.8
55.41331	1.0
57.03427	1.4
57.07082	2.6
58.95227	1.1
67.05521	5.3
69.07069	8.1
70.17031	1.1
71.08625	1.4
71.58696	2.0
77.74046	1.1
79.05497	4.6
81.03410	1.8
81.07063	7.4
83.04969	1.2
83.08617	2.5
91.05491	9.0
93.07029	7.6
95.04980	3.7
95.08604	10.1
97.10172	1.3
98.98469	3.9
105.07034	8.2
107.08603	5.3
109.06524	4.1
109.10175	2.4
117.07010	1.6
119.08575	6.0
121.06527	3.2
121.10141	4.1
123.08097	4.7
123.11702	1.3
129.07021	2.7
131.04996	1.6
131.08553	3.3
133.06511	1.7
133.10129	4.1
135.08089	1.5
135.10800	1.0
135.11678	6.0
138.00125	1.1
139.07587	2.2
143.08626	2.1
145.06461	1.5
145.10132	2.7
147.04445	1.4
147.08046	3.2
147.11699	1.8
149.02361	2.2
149.06018	1.7
149.09671	2.0
151.03972	1.9
155.01053	3.8
155.08557	1.5
157.06442	1.1
157.10150	1.5
159.08104	1.6
161.02370	6.2
161.05998	3.3
161.09689	2.4
161.21449	1.1
163.03940	1.7
167.03348	1.6
173.05913	1.6
175.07610	2.3
177.09085	2.5
185.06015	3.8
185.09586	1.2
185.13333	1.3
187.03885	3.4
187.33981	1.1
189.05466	1.8
189.09126	2.8
191.03160	15.7
195.13826	2.3
201.09100	1.0
201.12767	1.4
203.07042	100.0
203.14319	2.5
204.07439	1.7
205.05101	1.3
241.08636	1.1
243.10170	24.0
245.15443	2.8
265.08548	1.3
267.10181	4.6
279.46222	1.3
283.13266	1.3
297.18259	6.0
303.04874	5.1
309.11319	1.5
311.25897	7.5
325.14401	5.8
351.33499	1.1
379.15225	4.6
423.36301	1.4
429.20758	2.7
447.21478	3.9
465.22394	6.3
465.34335	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	465.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20590	0.9
55.01882	1.4
57.03419	2.5
58.31849	0.9
67.98112	0.8
69.03457	5.0
69.07075	1.3
69.81845	4.4
70.06573	1.0
79.05509	1.7
81.03428	1.9
85.02919	3.5
87.04458	1.5
91.05475	2.0
94.06575	2.3
97.02911	2.8
97.06551	1.9
98.21465	1.7
106.06580	1.8
108.04493	1.7
115.03907	2.1
120.04476	1.2
120.08157	3.0
122.06042	1.8
127.03975	1.1
132.08160	2.1
133.04993	2.1
134.06055	2.8
135.08073	1.0
135.11696	1.0
136.07567	2.0
140.07082	2.9
142.14369	0.9
144.13850	1.6
146.06047	2.9
147.06886	0.9
148.07599	4.8
152.07120	3.3
153.12808	1.6
160.07622	2.4
162.05566	5.9
162.06685	1.2
164.07034	2.1
168.06627	2.2
171.13855	5.9
174.07915	2.7
174.09238	2.0
175.08722	2.1
176.07100	2.4
178.08658	1.7
186.09270	1.4
187.08694	2.0
188.07144	1.3
194.08215	4.3
197.10759	1.1
199.08757	2.7
200.09448	2.0
201.06569	1.6
201.10263	3.9
213.10323	3.8
214.08820	1.9
214.11061	2.3
215.08234	1.8
215.11829	6.6
225.10231	1.4
226.08760	0.9
226.12054	0.9
227.08163	3.2
227.11734	5.0
229.09753	4.0
229.13408	1.8
232.09665	2.0
239.11832	2.5
241.09810	3.0
241.13448	1.7
242.10512	2.4
243.11398	4.0
252.12579	1.3
253.09924	1.1
253.13361	2.1
255.11285	9.9
256.12006	2.1
257.12936	2.7
261.12473	1.5
267.11334	2.0
269.09512	1.8
269.12912	4.8
271.14517	2.0
273.12335	3.7
275.14066	3.1
279.11136	1.5
281.12933	3.0
283.10953	2.4
285.12418	3.8
287.13922	5.5
288.14932	1.1
297.12399	5.6
298.13123	2.3
299.13910	13.3
301.11914	1.4
302.07413	2.0
302.12570	3.4
303.04724	1.8
303.07733	2.7
303.13599	6.4
303.22836	1.3
309.12573	1.3
311.13928	2.1
313.11938	1.2
313.15738	1.1
315.13397	27.9
316.14191	15.5
317.14822	3.3
323.10486	1.3
323.13983	1.8
325.11783	1.0
327.13416	1.6
329.14941	1.2
337.15387	1.7
341.15082	1.3
343.12897	2.9
345.14270	1.5
347.16226	1.2
355.16708	4.0
357.14493	2.8
365.15073	2.6
369.14499	1.9
375.15585	11.4
383.16113	3.1
387.15726	2.6
393.14606	2.7
399.15503	12.7
401.17081	2.2
403.14426	1.0
411.15524	10.5
419.18256	2.0
429.16638	34.4
447.17679	62.6
448.17743	2.1
465.18732	100.0
466.19067	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	465.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34674	0.4
55.01874	2.0
55.05498	0.5
65.03942	0.8
67.05497	1.6
69.03421	1.7
70.69753	1.1
73.71072	0.4
74.40401	0.4
74.61895	0.4
77.11249	0.4
79.05482	1.3
81.03425	0.5
81.07053	1.7
81.20009	0.4
90.01383	0.4
90.92345	0.4
91.05475	4.0
93.03391	1.0
93.07021	1.0
95.01334	14.7
95.01939	0.8
95.04976	3.0
95.08601	0.5
97.06529	1.7
103.05482	0.8
105.03411	0.4
105.07009	2.0
106.58722	0.4
107.04943	0.8
107.08604	0.9
109.06512	1.5
109.10114	0.5
111.04401	0.5
115.03937	0.8
115.05449	1.8
117.06996	0.5
119.04962	0.6
119.08586	1.3
121.02863	2.7
121.10107	0.5
125.05995	1.0
128.06288	0.9
128.07130	0.4
129.06992	2.4
130.25998	0.4
131.04907	1.5
131.08589	1.0
132.05650	0.5
133.02872	1.2
133.06505	1.0
134.04648	0.4
135.04401	1.6
139.03941	0.5
143.04918	1.3
144.05708	1.2
145.06534	0.7
147.04419	0.7
147.08066	2.8
149.02328	2.0
151.03912	10.3
151.07544	1.4
153.05435	1.7
157.06465	1.8
158.07123	0.5
159.04425	1.6
159.07990	0.5
160.05205	1.6
161.02356	8.3
161.03706	0.6
161.05963	4.1
163.03932	1.4
167.03354	1.2
167.07002	1.1
171.04414	0.7
172.40630	0.4
173.05997	0.8
175.03931	1.5
175.07581	3.5
177.05498	1.4
183.07938	0.5
185.05971	5.7
187.03908	1.0
189.05490	1.8
191.07014	1.1
195.06532	0.6
199.07565	1.0
201.01607	1.6
201.05493	1.4
201.09055	0.5
202.06248	0.8
203.07034	100.0
204.07420	1.4
213.05434	2.8
215.03424	0.5
217.08543	1.1
218.04967	0.5
218.07030	0.5
219.06490	3.2
225.09091	0.9
227.03247	0.8
227.06985	1.2
229.05051	0.5
241.08672	0.5
243.10172	22.0
245.05649	0.3
245.08096	8.7
263.09189	1.7
267.10208	0.5
269.08173	1.0
271.06042	0.6
295.05954	2.2
297.11172	1.9
303.05002	2.9
315.08582	4.3
325.10739	0.7
377.13858	0.7
403.07980	2.0
405.13367	1.6
421.12595	0.8
423.14218	1.2
435.10413	0.8
437.15906	0.9
447.14093	2.8
465.15375	35.4
465.21332	1.6
466.15955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1373
Annotation	Keyakinol
Peak:m/z	Relative Intensity
71.02161	0.6
78.16011	0.2
81.07027	0.3
82.86496	0.3
85.02870	0.5
93.07071	0.3
108.70858	0.2
127.00027	0.5
137.05986	0.4
167.03192	0.6
169.04683	0.3
176.04430	0.4
185.04196	0.6
201.05246	1.5
216.07593	11.9
217.08371	11.4
227.05264	2.8
238.06717	0.3
271.04318	3.1
285.12552	0.3
295.10349	0.3
303.04968	0.9
311.07925	0.2
313.13873	0.3
361.12491	0.3
379.13608	4.9
393.65375	0.3
403.13754	0.7
421.14719	40.7
422.14969	1.0
465.13730	100.0
466.14047	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	465.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.8
69.03420	3.3
69.07059	1.5
69.32877	4.2
69.33295	8.1
70.06583	1.3
75.68594	1.3
79.05481	2.0
81.07070	2.8
85.02911	3.5
91.05486	2.5
93.07043	2.8
95.08631	2.5
97.02900	1.7
105.07045	2.1
109.10153	1.6
119.08574	1.5
127.00064	1.4
131.08606	1.8
135.08089	1.6
167.03290	1.4
181.09952	1.2
198.05038	1.3
199.14928	1.5
201.05409	1.7
216.07607	12.3
217.08418	12.0
227.05328	2.5
229.04849	1.5
271.04160	7.7
303.05002	15.0
312.79251	1.3
361.12543	1.8
379.13672	1.7
421.14767	27.4
465.13712	100.0
466.14185	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	465.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01851	0.3
66.17459	0.3
67.05506	0.4
69.03433	0.3
70.08164	0.9
79.05483	0.3
81.03430	0.3
81.07069	0.3
91.05487	0.4
93.07045	0.6
94.04221	0.4
95.01332	0.4
95.04969	0.6
102.78128	0.2
105.03405	0.3
105.07088	0.4
109.06483	0.3
110.03662	1.7
119.04942	0.7
122.03661	0.3
123.04417	0.3
125.05980	1.2
138.03105	0.8
149.02335	0.3
150.03392	0.2
151.03920	4.3
152.06133	0.8
153.05510	0.4
161.02377	0.9
168.05705	1.1
180.05739	0.4
181.04965	17.3
183.08061	0.6
189.05560	0.6
189.12735	0.4
196.05214	2.9
201.09109	0.7
203.07037	0.6
207.06502	0.7
208.05199	4.0
211.07555	2.4
214.06239	0.5
215.07059	0.3
217.05008	0.4
224.04691	5.7
225.05237	0.3
229.08650	2.9
236.04662	1.6
238.06392	0.4
239.07054	7.0
240.07649	0.3
242.05756	0.8
243.02795	0.4
251.07045	2.5
252.04276	2.3
257.08145	0.6
261.03937	0.3
266.05960	0.4
267.06467	2.4
270.05136	0.4
280.03720	3.7
283.09616	0.8
285.07584	25.0
286.07886	0.5
294.58173	0.7
295.06015	100.0
296.06290	1.9
299.09073	1.6
303.04987	1.2
303.08478	0.4
303.58731	0.6
315.59296	0.3
332.08740	0.3
364.09341	0.3
433.16470	0.9
465.11639	3.0
465.18326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1184
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.03939	0.5
54.57656	0.4
55.05500	1.0
57.07068	0.5
65.03919	0.5
67.05506	1.3
67.78280	0.4
69.03439	0.7
69.07067	1.4
69.79117	2.7
77.86539	0.5
79.05499	1.3
79.70443	0.5
81.03439	0.5
81.07064	2.2
83.08594	0.9
85.02884	1.3
85.18938	0.4
89.03927	0.6
91.05487	3.0
93.07039	1.2
95.01358	0.4
95.04975	0.9
95.08624	1.6
97.02892	0.7
97.06509	0.4
98.97566	0.6
102.04682	1.0
103.05482	0.7
105.07033	1.8
107.08614	1.4
109.06530	0.9
109.10184	1.3
111.02710	0.9
117.06978	0.7
119.04947	1.6
119.08593	1.1
121.06481	0.7
121.10158	1.4
123.04447	0.7
125.05965	0.6
127.03886	0.4
130.04164	1.8
131.04889	0.7
131.08577	0.8
133.06467	1.0
133.10152	1.2
135.04407	1.0
135.08127	0.6
135.11760	0.8
136.05200	2.1
137.02350	0.6
137.05974	1.9
139.02142	1.5
143.08490	0.5
145.05040	0.4
146.03622	3.1
147.04414	2.7
147.11681	0.5
148.05193	3.9
151.03929	1.6
151.07559	0.6
153.01836	7.0
159.11606	0.5
161.02353	0.7
161.05960	3.3
161.09579	0.4
162.06845	0.7
163.03929	1.0
163.11130	0.6
165.05518	0.5
167.07133	0.5
177.05498	0.7
191.07120	0.5
197.06093	0.5
201.05479	0.7
203.03407	5.8
203.07056	0.6
213.05470	1.3
219.92189	0.4
229.04950	6.0
241.05074	1.6
242.05748	12.2
253.04953	3.3
255.06433	1.1
257.04468	50.9
258.05231	19.5
265.04996	0.5
267.06323	0.8
269.04642	2.4
270.05319	2.2
271.06036	1.8
276.94095	0.5
279.03156	0.5
283.06006	1.3
285.03952	9.3
286.04724	30.6
287.05487	16.1
290.63522	0.5
295.06055	1.2
297.03943	4.8
299.05573	2.0
300.06326	0.6
303.04974	8.0
311.05472	1.5
311.08960	1.1
326.07950	1.8
327.05054	1.8
341.06528	1.1
373.06915	0.8
387.08542	1.0
389.06583	0.5
391.08066	1.1
403.08182	1.3
404.08804	0.5
432.08453	2.3
433.08289	0.5
435.10751	3.9
437.10455	0.8
447.10715	14.1
455.45291	0.5
465.11826	100.0
466.12073	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	465.103
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01842	0.2
65.03899	0.2
67.01831	0.2
67.05457	0.4
68.99786	0.7
69.03381	0.4
70.06551	0.4
70.86000	0.3
71.04974	0.2
75.04442	0.1
76.23041	0.1
81.03364	0.5
83.04950	0.1
85.02913	0.7
91.05463	0.2
93.03350	0.4
93.07011	0.3
95.04927	0.4
95.08595	0.2
97.02843	0.3
97.59232	0.1
107.04872	0.3
109.02881	0.7
110.05913	0.1
110.07198	0.1
110.09650	0.2
111.00803	1.0
120.08089	0.3
121.02883	1.2
121.06435	0.2
122.05930	0.2
122.35505	0.1
123.04420	0.3
124.07517	0.2
127.03870	0.5
135.04361	0.3
137.01373	0.2
137.02351	4.1
137.05962	0.1
138.09081	0.5
143.08121	0.2
145.04874	0.1
145.06424	0.4
146.72652	0.1
149.02406	0.6
149.05908	0.1
151.03885	0.2
153.01834	5.0
155.04808	0.2
161.05983	0.4
163.03949	0.7
165.01852	2.5
166.02589	0.3
167.08949	0.2
171.09879	0.3
173.06006	0.8
177.05431	0.2
181.08539	0.4
182.08907	0.6
183.02971	0.9
183.04366	0.3
184.09821	0.2
187.03880	0.6
191.03397	0.2
195.02834	0.3
201.05478	2.2
202.06111	0.2
202.10548	0.1
205.04951	0.3
213.05553	0.2
215.03366	0.2
219.06525	0.3
228.04243	0.2
229.04985	5.3
234.37772	0.2
239.03513	0.3
245.04411	0.2
247.05988	0.9
257.04468	3.7
269.12726	0.2
274.04736	1.0
275.05490	0.3
285.03986	1.6
285.07205	0.3
285.12534	0.1
303.05005	100.0
304.05325	2.3
311.13281	0.2
315.05023	0.4
333.15195	1.5
345.06024	0.2
374.70035	0.1
382.16287	0.1
429.16888	0.3
447.17862	0.5
465.10175	0.7
465.19522	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	465.1029
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03958	0.5
55.01880	0.9
57.03439	0.8
61.02914	2.1
68.99803	1.3
69.03438	3.6
70.02957	2.3
73.02903	0.8
81.03416	2.3
85.02907	9.1
91.03933	1.1
92.84007	0.4
97.02892	3.9
98.20810	0.6
109.02880	1.7
111.00844	1.1
121.02853	1.2
123.04427	0.4
127.03929	1.9
134.62540	0.5
136.62170	0.4
137.02353	4.6
143.10159	0.5
145.04976	1.0
153.01857	5.3
163.03899	0.7
165.01816	2.3
173.05927	0.8
177.99982	0.5
183.02863	1.2
187.03912	0.5
199.05960	0.4
201.05444	3.4
219.62799	0.5
229.05000	6.2
257.04456	3.8
274.04752	1.1
285.03983	1.1
303.05008	100.0
304.05389	3.2
453.34219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03939	0.4
53.80850	0.2
55.01868	0.5
57.03450	0.8
57.03668	0.1
61.02927	1.9
68.99793	0.7
69.03085	0.2
69.03433	3.0
69.54654	1.0
71.04993	0.2
73.02924	0.8
80.33154	0.1
81.03422	1.5
83.01347	0.2
85.02908	9.7
87.04454	0.4
91.03953	1.1
93.03427	0.4
95.04970	0.3
97.02894	3.2
99.04443	0.6
109.02894	1.2
111.00838	1.0
115.03928	0.2
121.02876	1.1
123.04424	0.3
127.03925	1.8
137.01343	0.3
137.02347	4.0
137.03403	0.3
145.04967	1.6
145.06517	0.4
149.02345	0.6
153.01834	4.6
155.04848	0.2
163.03922	0.5
165.01840	2.0
166.02762	0.2
173.05997	0.7
177.01840	0.2
181.08574	1.1
182.08928	1.3
183.02921	1.2
183.04356	0.3
185.07924	0.2
187.03853	0.4
195.02969	0.3
201.05492	2.0
205.05013	0.2
219.06595	0.3
228.04237	0.3
229.04965	4.8
239.03554	0.2
247.06082	0.8
248.28937	0.2
257.04459	2.5
274.04672	1.0
285.03989	1.5
286.04657	0.2
301.07114	0.7
302.07388	0.4
303.04990	100.0
304.05341	2.4
315.05109	0.3
345.06073	0.5
400.71579	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.5
56.96556	1.7
57.07076	3.2
67.05513	4.4
69.03416	3.5
69.07076	2.6
70.77012	1.6
79.05492	2.7
81.03417	2.8
81.07057	5.1
83.04976	4.8
83.08612	1.7
84.95961	1.5
85.02908	5.0
87.00848	2.9
91.05484	4.0
93.07082	7.4
95.04998	1.8
95.08598	4.7
97.02900	3.7
97.06520	2.8
105.07026	2.5
107.08601	8.6
109.02886	2.5
109.10158	2.2
111.04453	27.7
121.06561	2.1
121.10144	1.6
122.06036	1.7
125.05994	11.4
126.05536	1.9
127.03913	3.2
135.08080	3.3
135.11705	6.8
137.09755	1.6
138.05595	1.6
145.10130	8.2
153.12811	2.8
163.11180	10.2
181.06453	2.7
181.12247	100.0
198.90536	1.6
199.13300	13.6
256.06909	1.6
298.30194	1.7
303.05066	1.9
323.63052	1.7
329.15042	3.7
355.12894	2.6
416.98730	1.6
435.84384	1.8
464.14709	2.1
464.20636	2.3
464.30899	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	463.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39423	1.9
55.01878	1.9
55.05519	15.6
57.06820	2.6
57.07080	33.1
67.05504	8.8
68.83953	1.6
69.07072	30.1
70.98425	3.8
70.98763	3.1
71.08633	22.9
79.05481	6.8
81.07060	23.2
83.08630	14.1
85.06560	2.4
85.10184	14.6
88.53784	1.9
91.05481	5.4
93.07051	9.1
95.08604	17.8
97.02935	3.4
97.06517	2.5
97.10159	9.5
99.04462	4.1
105.07032	9.9
107.04929	2.2
107.08595	6.9
109.06550	13.9
109.10204	9.6
109.10830	1.9
111.08090	2.4
111.11715	6.1
119.08588	7.8
121.10123	3.3
123.08098	10.4
123.11702	3.3
125.05989	15.3
125.13258	2.0
127.07564	48.4
131.08603	3.2
133.10133	4.7
135.08070	2.2
137.06068	3.6
137.09671	2.5
139.07552	100.0
145.10173	2.1
147.11705	2.8
149.05977	3.3
149.09666	4.0
149.13248	1.9
151.07497	9.5
161.09673	2.4
161.13330	2.9
163.07417	2.1
165.09105	3.0
167.07045	7.8
173.13268	2.0
175.11206	3.0
175.14909	3.1
177.09123	16.4
185.13220	1.8
203.14502	2.4
209.87048	1.9
246.24796	1.8
301.28854	5.2
319.29935	13.2
347.33109	19.1
358.85767	2.0
373.31027	4.5
385.34521	2.8
399.35843	2.9
403.35602	3.8
417.37366	21.6
445.36789	39.5
463.37875	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.3
55.01857	8.8
55.65000	3.6
56.96557	3.2
57.03445	20.3
59.04991	7.0
60.51219	3.1
61.02920	6.2
69.03077	5.8
69.03434	88.5
70.06589	12.0
71.04996	7.8
71.20471	6.8
71.95506	2.6
72.08145	12.6
73.02911	6.9
79.05506	7.8
81.03426	15.5
81.07058	4.1
84.08133	4.7
85.02914	100.0
86.09725	6.6
87.00829	11.2
87.03984	4.1
87.04475	46.8
88.03987	10.4
91.05468	8.0
93.07062	6.3
95.04961	11.4
97.02898	69.1
98.97598	11.8
99.04442	9.2
103.05446	13.0
105.01857	13.0
105.07062	4.9
107.04956	43.0
109.02868	12.4
110.06055	3.9
113.05978	3.4
115.03950	62.3
116.98593	3.8
119.04922	3.3
121.06512	57.3
122.06910	3.1
123.03564	4.2
123.04451	62.7
123.05430	7.1
124.07599	12.1
127.03932	29.2
128.07108	3.9
131.04948	25.5
133.04987	65.9
135.04373	3.9
135.08029	5.2
137.05991	28.5
138.09160	7.9
140.07019	4.7
141.06616	8.3
144.79379	2.9
145.04951	22.4
145.06093	3.9
147.04375	6.7
148.05078	7.9
148.07547	2.8
149.05931	9.8
150.07668	17.2
151.03908	2.9
151.07527	4.3
152.07088	12.5
153.05464	9.0
161.05901	2.8
163.06184	3.3
163.07552	13.0
165.05490	22.1
166.08528	4.1
170.08133	11.3
173.05992	5.7
175.07558	3.8
177.05501	14.4
177.09105	3.5
181.08598	63.5
189.05508	5.8
205.08632	6.0
219.06425	4.0
283.71518	3.3
289.10638	3.4
295.09897	3.2
302.07214	3.9
302.13770	4.0
303.04999	6.9
303.13263	4.5
317.06387	4.6
464.18936	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	463.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.05517	16.2
57.07078	40.9
67.05520	11.3
69.07075	30.1
69.60217	6.0
69.60645	8.4
71.08640	24.3
79.05466	4.8
81.07058	26.6
83.08630	17.5
85.10178	14.5
88.28423	2.9
91.05511	5.3
91.54834	2.1
93.07027	11.2
95.04948	3.3
95.08612	21.5
97.06522	4.6
97.10188	11.3
98.21456	4.9
99.04450	5.1
104.26633	2.4
105.07046	12.7
107.08586	7.0
109.06519	13.2
109.10164	10.0
111.08051	3.7
111.11703	7.1
112.99976	3.0
119.08576	8.2
121.10101	3.4
121.80994	2.2
123.08105	11.3
123.11713	3.9
125.06003	17.1
125.13271	2.5
127.07560	40.7
131.08568	4.4
133.10126	5.6
135.08037	3.8
135.11737	5.1
137.05946	3.9
137.09605	4.8
139.07547	100.0
145.10159	2.5
147.11674	3.6
149.05971	2.8
149.09644	6.0
149.13341	2.1
151.07530	9.4
157.10117	3.0
161.09634	2.4
161.13316	2.7
165.09151	3.3
167.07057	6.1
169.10304	2.2
173.13284	2.9
175.11121	3.0
177.09204	11.3
187.11223	2.5
189.12721	2.2
189.88246	2.5
193.12192	2.6
249.14879	2.8
293.54410	2.2
295.11777	2.7
301.28751	2.6
319.29922	12.1
347.33221	16.5
373.30896	3.8
417.37259	22.6
445.30737	2.8
445.36807	54.3
463.37888	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2844
Annotation	Kazinol K
Peak:m/z	Relative Intensity
53.03939	0.8
55.05505	1.6
59.04049	0.6
59.93782	0.7
67.05500	1.8
69.06713	1.2
69.07069	15.8
69.07447	1.0
69.22295	4.4
69.22713	2.0
79.05502	3.2
81.07054	2.2
91.04961	0.8
91.05489	9.2
93.07049	3.5
95.08596	3.2
103.05451	1.9
104.06250	0.7
105.07036	58.9
107.08608	1.7
109.10162	2.8
111.11698	0.8
117.07036	6.5
119.08588	100.0
121.10155	1.8
131.08578	0.8
133.10143	10.3
147.11713	5.5
159.04379	1.9
161.13269	2.5
163.03952	1.0
175.03932	10.6
177.05457	2.8
182.93533	0.7
193.04948	0.8
203.01482	1.2
203.03395	21.6
203.17964	10.8
205.04973	92.6
206.05580	0.9
215.10625	1.0
231.10139	1.0
259.09650	8.3
261.11234	93.3
262.11615	1.7
339.15909	1.5
395.22241	0.8
463.28494	30.2
464.28873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2153
Annotation	N-desmethyl loperamide
Peak:m/z	Relative Intensity
55.05478	0.7
57.03435	0.5
67.05500	0.5
69.03428	1.2
70.06631	0.5
71.57489	0.7
72.08191	0.5
79.05497	0.6
81.03432	0.6
81.07046	1.0
83.05009	0.6
85.02907	1.7
86.09715	1.4
93.07069	0.9
97.02897	0.5
98.97605	0.7
99.04461	0.5
107.08598	0.5
121.02841	0.6
124.35065	0.5
127.03947	0.6
130.06543	0.5
131.08667	0.6
136.11221	0.5
137.02377	1.9
137.05975	1.2
138.06419	0.5
147.04414	0.9
148.04701	0.6
157.06508	0.5
178.78455	0.4
213.05521	3.0
240.04550	0.5
241.05040	1.8
268.12027	0.7
269.04636	2.3
286.04788	0.8
293.35828	0.4
295.06021	0.5
301.07086	14.9
302.07443	0.7
331.16492	2.0
374.26996	0.5
382.58643	0.5
409.14276	0.5
427.14835	0.6
445.15875	0.6
463.21570	100.0
464.21964	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	463.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01870	1.4
55.05494	3.4
57.07062	0.9
65.03927	1.6
65.45815	0.8
67.05513	6.4
69.07074	35.2
70.69258	1.7
70.69641	1.8
75.52593	0.7
78.21589	0.7
79.05482	6.2
81.07063	9.7
83.08596	1.3
91.05484	15.7
93.07053	11.2
95.04941	2.2
95.08620	8.6
103.05453	2.0
105.07037	63.9
107.08593	10.2
109.06485	1.4
109.10153	10.6
111.11751	1.6
117.07034	6.5
119.08588	100.0
121.06474	1.1
121.10156	4.1
123.11725	1.9
131.08517	0.8
133.02853	1.1
133.06468	0.8
133.10135	12.5
135.04428	1.2
135.11705	5.3
139.07527	1.0
145.10130	2.7
147.04320	1.2
147.11691	14.3
149.02380	2.0
151.03987	1.0
157.10144	0.9
159.04367	2.8
159.11658	2.2
161.06056	1.0
161.13234	3.2
163.03938	1.3
167.03378	2.2
169.08629	1.6
175.03918	29.4
175.14804	1.0
177.05482	3.5
189.05487	1.4
191.03412	1.3
203.03407	60.7
203.06999	4.2
203.17979	16.2
205.04970	80.5
206.05367	1.9
215.10666	2.3
217.04996	2.3
231.10184	2.1
241.19611	0.9
243.10146	1.0
244.06004	1.1
247.09627	0.8
259.09683	24.9
261.11227	58.8
273.11237	1.3
281.07986	0.9
281.27011	0.8
295.09641	1.3
351.15909	1.3
353.17480	2.2
395.22104	1.7
407.22122	2.3
442.81180	0.9
445.36487	0.8
463.28366	58.9
463.38776	1.7
464.29126	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2094
Annotation	di-O-Methyl scandenin
Peak:m/z	Relative Intensity
56.96554	0.5
67.05504	0.8
71.37737	0.5
71.58454	0.6
72.01929	0.5
74.94490	0.5
78.46917	0.6
79.05511	0.9
81.07064	1.4
91.05495	2.7
93.07043	1.5
95.04983	0.5
95.08610	1.1
105.07055	1.2
107.08598	1.1
113.00027	1.0
119.07504	0.5
119.08501	0.5
121.06538	3.1
122.35064	0.6
130.14131	0.5
131.08653	0.6
133.10143	0.9
145.10176	0.5
147.11682	0.6
149.05971	0.8
151.03929	0.8
161.05872	0.5
179.06987	0.6
201.05571	0.7
203.07010	1.1
227.03151	8.7
255.06531	0.8
283.06195	0.6
285.07529	1.2
301.07199	1.2
305.07849	5.0
313.07169	2.2
314.07806	1.3
323.08972	1.5
351.25317	0.7
365.13889	1.2
393.13205	1.4
394.13840	0.8
430.62292	0.6
431.14539	0.7
463.20975	100.0
464.21225	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	463.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01874	2.6
57.03442	2.6
61.02925	3.4
67.01865	0.9
67.05508	0.7
68.99799	3.7
69.03436	4.5
69.07112	0.5
69.21735	1.8
69.22157	3.6
71.04995	0.8
73.02909	2.4
79.05497	6.3
81.03428	4.6
81.07050	1.5
84.44873	0.5
85.02912	23.0
87.00836	8.8
91.05488	16.8
93.07037	0.5
95.04977	1.3
97.02896	6.1
97.06537	0.6
98.97539	0.6
99.04465	3.1
103.03957	4.9
103.05470	4.0
105.01874	3.7
105.07038	100.0
106.07373	1.2
107.04961	1.6
109.02885	5.1
109.06546	2.2
115.05459	0.7
117.01841	0.9
117.06979	0.6
119.04950	1.1
119.08553	0.8
123.04444	2.3
127.03934	7.8
129.01849	4.1
129.06961	0.7
133.06473	3.6
137.05984	18.9
145.04967	4.0
147.02888	3.3
147.04433	2.1
147.08083	0.6
149.05951	0.5
151.03900	0.6
157.06531	0.8
158.07332	0.5
158.08853	0.4
159.02892	4.4
160.05208	0.6
161.05998	10.5
165.05464	1.1
171.02936	1.1
175.07588	1.4
179.07088	3.3
185.00586	0.5
186.06801	1.5
189.03976	4.3
189.05515	1.0
203.07016	0.7
209.09714	0.5
215.10687	27.6
216.10974	0.5
227.07079	0.7
227.10765	1.7
231.04967	1.0
235.11221	1.1
239.10692	17.0
251.10669	2.9
253.12273	0.9
257.11758	25.6
265.12317	1.3
277.12262	2.9
281.11771	10.8
282.12180	0.7
286.04825	0.8
301.07187	1.8
305.11740	6.1
323.12766	10.6
427.36584	0.5
450.50018	0.5
463.19354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97164	2.1
55.05505	2.7
59.04984	2.7
66.06106	2.3
67.05485	4.4
69.03415	5.4
69.48404	12.7
69.48809	3.2
75.04483	19.4
77.03939	2.8
79.05484	15.3
81.03419	2.5
81.07052	7.0
82.30969	2.0
83.04958	3.0
85.02899	7.8
89.03920	2.9
91.05487	18.8
93.07042	5.4
94.04167	2.3
95.04952	5.4
95.08583	6.4
97.02898	2.5
98.97581	3.0
101.06047	4.9
103.03959	2.4
103.05460	3.6
105.03371	2.8
105.07017	7.6
107.04951	27.1
107.08575	5.9
109.02869	6.1
109.06496	9.3
109.10143	3.3
111.04433	6.1
113.02363	7.3
118.04160	2.6
119.04935	10.1
119.08549	5.0
121.02870	5.0
121.06487	17.5
121.10178	2.9
123.00670	2.6
123.08035	5.6
125.05990	4.6
131.08527	2.3
133.02841	22.2
133.06479	3.4
133.10143	4.7
135.04420	29.8
137.02332	12.2
137.05988	21.3
139.07541	4.8
142.07877	2.2
145.02808	2.8
145.06334	2.2
145.10068	3.1
146.03516	2.7
149.02373	17.7
149.05986	16.2
151.03902	2.1
151.07541	32.4
152.01022	2.5
153.05408	3.1
161.02367	15.5
163.00305	3.4
163.03897	24.3
165.01831	69.2
165.05476	9.6
165.09155	2.9
167.03389	8.0
167.07037	8.3
171.08081	3.3
173.06145	3.1
177.01779	4.2
177.05467	42.3
181.01242	6.3
181.06412	3.0
183.02882	6.6
183.10164	6.8
185.06024	3.1
187.03937	6.7
189.01813	45.4
191.07028	11.8
193.04930	9.9
195.06519	40.7
195.08176	4.5
199.03853	2.4
201.05515	5.4
203.03337	13.7
205.04837	3.6
209.08025	4.7
211.07556	2.5
213.05550	3.2
219.06529	86.6
221.04427	10.8
225.05467	2.4
227.07083	2.8
229.08598	6.0
237.07570	17.1
239.05437	27.1
251.06883	2.2
253.05006	2.9
255.06523	40.2
257.08118	14.2
269.07935	2.9
281.04404	2.7
283.06058	15.4
284.06680	8.1
285.04416	5.0
285.07584	100.0
286.04712	4.7
286.07846	3.4
297.07513	2.5
301.07050	8.1
303.08688	14.5
309.07623	7.0
315.08685	2.7
327.04993	7.6
353.10260	4.9
359.07327	3.3
364.63846	2.3
381.09787	22.9
385.12845	5.5
387.09070	2.9
387.14087	10.9
395.11252	6.5
399.10776	23.8
403.13995	6.9
413.12390	18.4
419.16846	7.4
431.13412	74.8
433.12930	17.6
445.12732	17.2
463.13589	27.8
463.30316	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	463.124
Annotation	Kaempferol 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
53.15223	0.2
54.35678	0.2
68.99808	0.2
69.50029	1.4
75.81679	0.2
83.29076	0.2
85.02882	0.3
89.03915	0.4
123.00783	0.4
124.01566	0.6
129.06999	0.3
131.04924	0.5
134.03641	2.8
149.02357	0.4
152.01031	0.7
153.01843	7.8
157.06497	0.5
161.02312	0.4
170.02127	0.5
171.04362	0.3
185.06032	0.4
187.03894	0.3
197.05896	0.4
199.03932	0.7
201.05516	0.4
202.06287	0.5
213.05429	2.8
229.04955	4.6
230.05775	2.5
241.04959	9.9
245.08008	0.8
257.04526	0.3
258.05341	0.9
268.03809	0.2
269.04465	14.1
270.04828	0.3
273.07626	0.3
285.03973	1.3
286.04736	16.4
287.05295	0.3
301.07077	100.0
302.07416	2.5
313.07208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
53.84304	0.2
64.05340	0.2
71.16021	0.4
78.20488	0.2
84.60102	0.2
106.40630	0.2
111.67522	0.2
118.90900	0.2
153.01978	0.3
171.72975	0.2
174.89648	0.2
229.05008	0.4
246.48946	0.2
248.77469	0.2
257.04523	0.2
258.05243	16.0
259.05789	0.2
286.04724	36.3
287.05103	0.7
301.07062	100.0
302.07422	2.5
362.68161	0.2
463.12167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1388
Annotation	Artoindonesianin C
Peak:m/z	Relative Intensity
53.15884	0.6
60.19048	0.5
65.03934	0.5
69.53611	2.1
69.54025	1.5
81.21953	0.5
91.05490	3.5
95.01315	0.8
103.05442	0.9
105.07030	3.5
117.25680	0.5
118.04126	1.9
119.04930	3.1
123.00788	3.3
128.06221	0.8
131.04913	1.9
133.06537	3.4
135.04404	1.6
137.05939	0.7
137.10274	0.6
142.53775	0.6
146.03636	8.1
147.04401	2.5
149.02411	0.7
152.01093	2.6
156.05722	0.6
161.05994	7.1
168.05708	1.2
171.06657	0.7
171.08069	10.1
181.06461	0.7
183.08064	1.6
184.05219	1.8
185.05968	0.7
199.07614	0.6
209.06036	3.9
211.07547	1.2
212.04715	1.3
223.03848	1.2
225.05318	0.8
229.08592	2.8
239.07040	0.9
240.04225	1.2
240.07857	3.5
253.05109	0.6
255.06535	100.0
256.07025	2.5
268.07376	1.2
269.04440	1.5
269.07974	0.6
270.04926	0.6
281.08136	1.8
283.06042	39.3
284.06802	17.8
285.07587	22.5
385.10947	0.8
430.10800	0.7
433.12759	5.9
445.12872	40.8
446.13120	1.5
463.13928	64.9
464.14111	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	463.124
Annotation	Luteorin 5-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
55.01803	0.8
57.03354	1.6
57.03601	1.1
59.76330	0.5
67.05422	1.1
69.03341	1.3
70.06492	1.0
70.65331	0.5
71.04913	0.8
72.08070	1.1
74.90432	0.7
81.03297	1.2
81.06971	1.3
84.08040	1.5
85.02782	2.0
85.03260	1.0
86.09605	0.9
91.05370	1.1
91.87630	0.6
93.06918	0.9
95.04890	0.9
95.08546	0.6
96.96400	0.7
97.02810	1.6
99.04351	0.7
104.22108	0.7
105.06904	0.8
107.04861	0.8
109.02817	0.9
111.04360	0.7
114.09023	0.8
120.04422	0.7
121.02798	0.9
127.03835	1.2
130.06462	1.1
137.02356	8.7
137.05925	0.9
141.06856	1.1
145.02686	0.7
146.03123	0.7
147.04343	1.0
150.03061	0.7
151.08560	2.7
157.06366	2.1
157.07558	1.0
169.09779	4.5
175.08629	1.3
177.05373	1.0
185.05959	0.8
187.03833	1.1
189.05362	1.4
197.06027	3.6
211.07462	1.6
212.04565	1.0
213.03717	1.0
213.05479	12.7
215.03336	0.9
215.12488	1.7
219.78969	0.7
225.05421	1.7
227.06978	1.4
233.34363	0.7
239.06956	1.1
240.12585	1.3
241.04951	12.4
243.11760	1.3
245.08076	0.9
255.06532	2.6
255.11485	0.8
267.11334	1.0
268.03653	0.7
268.12067	3.4
269.04492	14.1
269.07303	0.6
283.06033	1.6
286.04727	6.4
295.06039	1.1
296.11615	1.4
301.07095	100.0
302.07471	2.4
302.12622	1.0
307.06049	0.9
308.06665	1.0
313.11929	1.1
314.12775	1.4
321.07681	1.1
331.16818	0.9
333.07498	1.0
355.13110	0.7
361.11118	1.0
363.13458	0.8
373.14063	1.6
377.18115	1.2
379.08392	1.5
385.14114	0.9
397.13751	0.8
409.13998	1.5
415.08578	0.8
419.18893	5.0
427.15314	2.3
445.15985	5.2
463.10690	3.9
463.21799	95.0
464.22458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43565	4.8
69.43989	3.8
73.83589	1.1
81.03391	1.9
85.02908	3.2
86.58559	1.0
109.02868	1.2
121.02863	2.1
121.64576	0.9
137.02332	3.3
141.01808	1.1
149.02365	1.9
149.05984	3.2
151.03893	6.7
165.01822	12.6
167.03415	1.5
175.03853	1.6
177.01828	1.4
183.02930	2.5
191.03412	1.3
195.02838	2.0
213.05453	1.1
217.33551	1.1
233.04424	1.3
254.05821	1.2
257.04532	1.4
270.05197	4.0
271.05948	1.9
282.05307	4.3
286.04767	5.4
292.07407	1.7
296.06821	8.6
297.07523	4.2
298.04672	19.0
298.07791	1.9
299.05328	2.9
300.06302	8.3
301.07083	38.6
302.07367	1.2
308.06979	1.5
309.07797	1.8
310.04691	4.4
310.08319	5.7
311.09106	5.4
312.06244	2.5
313.07062	100.0
314.07623	7.6
324.06256	13.0
325.07001	6.4
325.10449	1.8
326.07605	1.4
327.05246	1.3
327.08722	3.2
328.05750	18.2
335.09116	1.2
336.06113	2.0
337.07043	1.5
338.07825	7.9
339.05032	1.9
339.08627	15.9
343.08127	79.1
344.08344	2.9
348.06100	2.3
351.08698	1.5
353.06384	1.8
353.10193	13.7
355.08359	1.2
363.08618	2.9
364.05853	2.4
366.07263	1.5
367.08130	41.4
368.08542	1.8
379.08182	11.6
381.09570	3.5
391.08038	10.3
394.06516	1.9
397.09174	22.8
409.09229	25.7
427.10248	26.0
445.11337	11.9
463.12201	3.9
482.69431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.4
57.07069	14.0
64.84835	12.8
67.05505	16.2
69.07078	18.2
69.21002	39.8
69.21413	100.0
69.85323	11.6
71.43740	12.1
74.38251	11.5
81.07063	78.8
91.99020	12.6
93.07082	29.3
95.08613	59.1
98.21507	33.9
105.06989	14.0
107.08656	30.0
109.10179	36.5
121.10094	18.5
123.11732	57.7
135.11726	32.8
149.13290	50.3
205.19522	87.9
270.24942	14.1
286.51968	14.4
289.95810	14.1
318.91736	15.8
409.69385	13.9
462.27042	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	463.1235
Annotation	Kaempferol 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
53.30679	0.2
53.78541	0.3
63.90051	0.3
65.12759	0.3
70.38640	1.1
100.91974	0.3
119.92506	0.3
123.00728	0.3
129.06982	0.6
134.03589	1.6
150.97099	0.3
152.01042	7.1
153.01846	3.7
157.06549	0.5
167.04916	0.6
170.02087	1.5
175.03877	0.9
184.05208	1.0
185.05998	2.0
195.04419	0.6
202.06238	1.2
212.04727	0.7
213.05478	1.6
223.04005	0.4
229.05045	1.6
230.05748	2.3
241.02625	0.6
241.04958	6.8
245.08133	2.9
255.06535	0.5
258.05258	0.7
269.01846	0.5
269.04465	5.2
285.04004	1.5
286.04739	13.4
287.05441	0.3
301.07074	100.0
302.07462	2.4
463.12451	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	462.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
56.05042	0.7
56.96558	0.8
57.03434	0.7
61.02913	1.1
65.03931	0.6
67.05512	0.8
69.03425	2.2
70.06567	0.6
70.66181	0.7
70.66521	1.1
71.05004	1.2
72.08156	2.6
73.02921	0.7
73.06569	0.7
81.03417	2.1
81.07044	1.0
83.04976	0.6
84.08154	0.7
84.11598	0.5
85.02915	8.0
85.06539	0.7
86.06036	0.8
86.09712	0.8
87.04491	2.2
88.03995	2.2
89.06037	100.0
91.03978	0.6
91.05470	0.8
97.02904	2.3
98.97578	1.0
99.04484	0.9
102.05528	0.8
107.07081	1.7
109.02901	1.5
116.87525	0.6
120.08085	0.9
126.09216	0.6
127.03941	1.9
133.08615	44.4
136.07587	1.6
137.06020	0.7
138.05498	1.0
144.10272	0.7
145.04956	0.9
147.04437	0.9
151.09650	0.7
164.07144	3.0
175.03966	0.8
177.05466	0.8
177.11241	19.3
182.08150	0.8
195.12320	4.2
221.13765	1.0
237.02908	0.8
239.14885	3.5
241.05099	0.6
269.04544	0.7
270.43536	0.8
283.17535	94.9
284.17896	1.6
300.08887	1.2
301.07098	2.6
305.48566	0.6
328.11801	0.6
329.33774	0.6
444.21896	0.8
461.71652	0.7
462.17297	2.4
462.23834	0.7
463.16724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.0
55.01869	10.9
55.05520	45.3
57.03450	19.1
57.07081	3.7
62.89917	2.7
64.81075	2.5
65.03937	8.5
67.05509	83.0
69.03433	5.5
69.07079	30.9
69.84769	15.1
71.04993	7.2
79.05500	82.1
81.03408	11.4
81.07065	78.6
83.04976	9.7
83.08616	19.9
85.06532	7.6
91.05488	100.0
93.07054	65.9
95.04973	16.8
95.08618	50.9
96.07623	3.1
97.06539	14.2
97.10175	9.9
103.05491	5.7
105.07033	74.9
107.04966	11.4
107.08608	33.2
109.06530	12.2
109.10173	22.7
111.08106	6.4
115.05450	11.9
116.06198	4.6
117.07036	55.0
119.04974	4.9
119.08595	43.6
121.06512	13.8
121.10141	15.0
123.08066	7.7
123.11700	3.8
125.05969	4.2
125.09612	9.3
128.06235	13.8
129.07016	68.3
131.04944	6.0
131.08582	70.3
131.70674	3.2
133.06496	11.4
133.10135	27.2
135.08037	8.5
135.11673	9.1
137.09616	7.6
141.06995	26.7
142.07761	6.5
143.08563	42.9
145.06496	11.6
145.10136	41.9
147.08052	13.3
147.11697	11.3
149.09650	10.7
149.13255	7.7
151.11171	3.8
153.07056	4.5
154.07779	7.2
155.08551	42.5
157.10123	32.1
159.08080	10.9
159.11678	19.3
161.09596	3.4
161.13248	7.1
163.11212	7.3
165.06992	3.8
166.07722	5.4
167.07323	4.0
167.08563	17.6
169.10118	24.9
171.08040	4.2
171.11720	18.3
173.09596	6.1
175.11157	6.5
177.12880	4.9
179.08595	6.4
181.04965	13.2
181.10133	18.4
183.07980	3.7
183.11707	14.3
185.09604	4.2
185.13280	12.4
187.11087	3.6
187.14844	5.8
189.11206	5.8
189.12747	3.3
193.10094	5.7
195.11694	13.8
197.13275	13.9
199.14792	11.4
201.07652	4.7
203.07050	13.2
203.14389	3.8
207.11697	10.1
209.13245	10.5
211.06052	7.6
211.14795	9.3
213.12761	6.2
213.16402	6.1
215.14345	12.5
217.15906	3.9
221.13319	12.8
223.14784	6.7
225.12854	6.6
225.16286	7.8
227.03146	4.3
233.15451	4.1
235.14810	8.2
239.05522	10.8
239.14311	7.6
243.13834	5.9
243.17532	4.4
243.65901	3.2
245.15540	3.3
253.16005	7.3
257.15421	7.3
267.17307	3.4
271.17004	6.3
275.16589	4.2
299.08630	3.5
315.21130	4.1
323.23737	9.6
333.22116	16.9
341.24762	14.7
351.23209	62.3
368.29221	3.0
369.24298	59.4
374.68219	3.4
387.25308	27.5
393.13290	4.7
405.26627	3.9
425.26804	9.0
429.15692	5.6
433.29608	4.1
437.09091	4.6
443.27988	73.2
461.19043	7.0
461.29166	76.4
462.29010	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	461.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01876	1.9
55.05513	4.3
56.96552	1.1
57.07071	1.2
61.95196	0.9
62.41999	0.8
65.03935	2.3
67.05507	22.2
69.03423	2.2
69.07077	11.2
69.32723	8.4
69.94423	0.9
79.05493	9.7
81.03420	3.2
81.07062	12.8
83.08602	1.9
91.04958	1.6
91.05486	21.4
93.07056	13.2
95.04964	2.8
95.08605	8.3
97.10117	1.0
98.21527	1.9
103.05467	2.3
105.07038	29.5
107.04955	2.1
107.08608	11.2
109.06541	1.6
109.10159	22.8
111.04530	1.0
111.08151	0.9
115.05450	2.7
117.07037	13.0
119.04950	1.3
119.08587	80.3
120.08906	1.7
121.02847	1.2
121.06534	3.2
121.10144	5.7
123.11738	1.3
128.06229	3.4
129.07022	6.6
130.07791	7.4
131.04936	1.5
131.08580	15.5
133.02856	1.8
133.06490	1.9
133.10158	2.9
135.04437	1.9
141.07034	2.8
142.07811	2.1
143.08598	4.1
144.09404	2.2
145.06458	2.6
145.10130	95.7
147.04388	1.5
147.08025	1.2
147.11705	2.4
149.02298	6.3
149.05988	1.8
149.09656	1.1
151.03889	5.0
155.08498	1.1
156.09393	1.3
157.06609	1.4
157.10155	3.5
158.07240	1.2
159.04449	2.8
159.08038	2.6
159.11693	22.3
161.02359	1.1
161.06073	1.6
161.09663	1.4
163.03929	2.1
163.11235	1.6
166.07808	1.9
167.03416	4.7
169.10130	1.2
171.08110	1.6
171.11723	1.4
173.06006	1.2
173.13313	2.6
175.03925	31.8
175.07576	3.8
175.11230	1.5
177.05431	7.5
181.10136	1.8
185.06015	1.8
185.09538	1.4
187.03900	1.7
189.12817	1.0
191.03415	1.3
191.10741	1.1
193.04993	1.2
197.06096	1.7
199.11250	3.4
199.14810	2.5
201.09209	2.1
201.16389	42.7
203.03409	63.7
203.07013	17.5
205.04974	100.0
206.05447	2.0
211.07628	1.5
213.09152	1.1
215.10699	3.9
217.04959	1.7
219.10091	7.0
227.07071	1.4
227.10707	10.3
231.10298	1.6
231.13765	4.6
243.10167	6.2
245.08080	2.8
257.08157	3.1
259.09689	24.3
259.13315	10.4
261.11230	71.5
262.11713	1.3
277.08591	1.4
281.08151	1.0
295.09848	2.1
319.09552	1.2
351.15756	2.0
353.17471	1.5
361.17905	1.9
369.24072	1.6
379.19061	16.6
401.17371	2.6
405.20731	3.4
433.20392	2.1
443.18497	1.3
454.07449	0.9
461.19455	6.3
461.27039	28.6
462.27292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.1
57.07045	2.0
58.47681	1.5
65.28510	1.4
67.05497	7.7
69.06715	2.3
69.07070	31.6
70.70139	4.2
79.05497	6.8
81.07045	9.7
91.05014	1.8
91.05491	14.7
93.07044	10.1
95.08604	13.4
98.21035	2.3
103.05468	2.2
105.07031	75.0
107.08592	11.0
109.06560	1.8
109.10152	12.5
117.07034	6.7
119.08581	100.0
121.10139	6.8
123.11707	5.2
131.04953	2.1
131.08585	3.3
133.10139	14.6
135.11732	3.9
145.10133	2.2
147.11685	19.3
155.08583	4.6
158.07297	2.1
159.08093	2.7
161.02287	2.0
161.13266	5.4
173.05945	1.8
175.03946	4.5
175.14798	1.8
183.08017	3.3
185.06012	2.3
195.08105	2.4
201.09178	2.1
203.07033	6.8
203.17989	22.4
211.07553	30.7
212.07909	1.6
213.09134	4.2
214.06262	3.5
216.16885	1.4
217.04996	1.5
229.05060	2.9
229.08595	38.2
239.07027	10.4
241.08614	12.3
242.05800	4.1
243.06602	4.2
244.07378	6.6
245.08095	2.3
257.08090	63.5
258.08768	2.4
259.09665	99.7
260.10196	1.9
452.98260	1.7
461.26892	95.1
462.27237	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	461.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
67.05501	2.8
69.07076	16.9
69.93452	4.0
79.01520	0.8
79.05493	4.1
81.07042	3.4
91.05487	11.1
93.07053	4.4
95.08627	4.7
98.20940	1.6
99.31733	0.8
103.05461	2.6
104.06279	1.2
105.07041	56.5
106.07378	1.6
107.08573	3.8
109.10172	3.2
115.05504	1.1
117.07038	6.8
119.08590	99.2
120.08915	1.6
121.10122	2.3
133.10170	10.7
135.11691	1.0
145.10188	1.2
147.11690	7.6
155.08527	1.7
161.13316	1.5
173.06038	1.3
175.03903	2.8
176.17430	0.8
185.05943	1.2
189.05473	2.0
195.08044	1.5
198.06784	1.3
201.09065	1.2
203.07054	3.0
203.17950	10.1
205.04979	1.3
211.07552	10.5
213.09169	3.0
214.06404	2.2
217.04900	1.9
224.80783	0.8
229.05066	1.9
229.08606	15.6
239.07056	4.7
241.08647	11.2
242.05772	2.5
243.06560	5.8
244.07303	6.8
257.08105	22.6
258.08606	1.1
259.09686	100.0
260.10077	1.0
461.26920	32.1
462.27429	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.269
Annotation	Harunmadagascarin C
Peak:m/z	Relative Intensity
53.03935	1.4
55.05521	2.2
58.22008	0.8
65.03933	1.0
67.05511	6.5
69.07071	8.9
71.24992	2.2
79.05482	4.2
79.24059	0.8
79.74933	0.9
81.07063	8.2
83.08624	1.8
91.05498	9.7
91.21630	1.1
93.07056	9.1
95.04953	1.2
95.08613	12.2
98.21182	1.7
105.07040	39.2
107.08601	10.2
109.10166	8.2
117.06996	2.9
117.64059	0.9
119.08591	44.4
119.48502	1.0
121.10164	7.0
123.08035	1.1
123.11724	2.3
131.08577	1.2
133.10133	13.2
135.11716	2.5
141.07030	0.8
145.10129	2.4
147.11694	16.1
155.08589	1.5
159.08112	1.7
161.13260	5.9
175.14957	2.1
183.08064	1.2
185.06076	1.5
187.03917	1.2
195.08105	1.3
201.09140	1.9
201.16402	0.9
203.07030	6.4
203.17967	22.0
205.05035	1.0
211.07561	14.4
213.09232	2.3
214.06229	1.2
229.08620	20.7
239.06989	7.3
241.08717	5.6
242.05824	1.7
243.06578	3.9
244.07375	3.0
245.08052	1.5
257.08099	44.7
259.09686	58.7
260.10123	1.6
271.09784	1.5
379.19220	1.8
405.20813	1.6
443.25418	1.0
454.48557	1.0
461.26901	100.0
462.27008	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	461.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.05495	1.9
63.11025	0.6
67.05475	2.1
69.07072	24.1
70.69825	0.7
71.27049	1.3
79.05466	2.7
80.11268	0.6
81.07059	3.4
91.05481	6.6
91.55305	0.7
93.07061	3.8
95.08585	2.7
103.05419	1.3
105.07039	50.5
106.07343	0.7
107.08590	3.1
109.10182	3.7
111.11691	1.7
115.05486	1.2
117.07028	4.1
119.08588	75.8
120.08941	1.0
121.10117	2.2
123.11658	1.2
131.04913	1.0
131.08548	0.9
133.10150	7.4
135.11702	0.7
147.11691	7.2
149.02336	0.7
155.08534	2.5
158.07275	0.8
159.04439	0.9
159.08017	1.9
161.13290	1.4
171.08035	0.7
172.36658	0.7
173.06078	0.8
173.09535	0.7
175.03894	2.3
183.08054	1.5
189.05489	0.9
195.08122	1.6
199.07281	0.6
201.05434	1.2
201.09055	1.2
203.07024	4.4
203.17960	9.5
205.04994	1.1
211.05524	0.8
211.07544	16.6
213.09029	3.7
214.06221	1.6
217.05006	1.1
229.05052	1.3
229.08615	25.9
229.10901	1.5
235.16418	0.6
239.07040	8.4
241.08620	10.0
242.05800	2.4
243.06560	3.3
244.07219	4.5
257.08109	51.3
258.08514	1.6
259.09674	100.0
260.10040	2.4
271.09714	1.1
349.14447	0.9
351.16034	0.9
369.20773	0.8
455.01135	0.6
461.26889	57.4
462.27032	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	461.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
65.03933	0.6
67.05492	1.0
69.07074	10.6
70.13448	2.3
79.05491	1.1
81.07034	1.1
87.01971	0.6
91.05499	6.0
93.07033	1.3
95.08588	1.4
97.49159	0.7
98.21337	0.8
103.05477	0.7
104.06306	0.6
105.07040	36.0
107.08580	1.3
109.10171	1.2
117.07034	4.0
119.08591	59.3
120.08914	0.7
131.04982	0.7
133.10141	5.6
147.11708	3.9
155.08598	0.9
161.13254	1.5
189.05458	0.7
195.08112	0.9
201.05380	1.0
203.06966	0.7
203.17955	5.5
211.07587	5.0
213.09084	3.4
217.05008	0.7
229.05066	1.0
229.08607	7.3
239.07103	3.0
241.08641	8.4
243.06567	2.7
244.07381	4.2
257.05487	0.3
257.08090	14.3
259.09686	100.0
260.10022	2.0
337.14359	0.9
405.20245	0.6
461.26889	24.7
462.27472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.4
56.99773	2.1
59.59745	2.3
67.05511	3.6
69.03432	5.0
69.07058	8.1
71.04953	2.4
71.07455	2.6
71.07774	3.1
73.02914	2.3
81.03423	2.3
81.07053	9.2
83.08622	5.9
85.02907	6.4
85.06532	2.6
87.00833	2.9
91.05521	2.9
92.27364	2.6
93.07035	12.4
95.08611	23.5
97.02904	4.7
97.10168	4.7
99.08092	10.7
105.01875	3.8
105.07049	2.3
107.08599	25.5
109.10156	6.9
111.08095	5.9
113.09589	2.9
119.40137	2.2
121.10149	47.7
125.09643	5.7
127.03907	5.8
129.92387	2.1
135.11707	9.4
137.13274	6.5
145.05023	2.5
168.30769	1.9
169.62555	2.0
177.16402	100.0
178.16692	2.5
195.17461	23.6
213.18510	26.4
231.05197	2.5
273.54642	2.3
283.06073	2.9
313.07065	3.3
379.08133	3.2
425.09070	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
55.05511	1.1
55.25723	0.6
57.07061	0.7
67.05502	0.9
69.07071	7.1
71.56364	1.0
79.05486	1.9
81.07061	1.4
82.33962	0.6
83.08612	0.6
91.05483	6.5
93.07059	1.4
95.08586	1.7
95.73047	0.5
103.05510	0.7
105.07036	40.3
107.08605	1.0
115.05464	0.7
117.07011	4.4
119.08586	60.1
131.08586	1.0
133.10153	4.7
147.11717	3.3
155.08615	0.7
161.13330	1.1
169.06415	0.8
173.06047	0.7
175.03951	0.6
189.05537	1.4
195.08003	1.0
199.07416	0.7
201.05524	1.2
203.06992	0.7
203.17990	2.4
205.05028	0.7
211.07494	1.4
213.09099	4.1
215.06979	0.8
217.04956	1.3
227.07155	0.7
229.04999	2.6
229.08548	3.1
239.06944	0.7
241.08617	12.4
243.06499	5.2
244.07330	7.1
257.08075	5.3
259.09668	100.0
260.10040	2.2
373.14417	0.6
388.16470	1.2
389.17603	1.2
402.17755	0.6
403.19238	1.7
404.19882	1.4
418.21356	1.6
431.18488	0.9
432.19193	1.9
433.23972	5.6
446.20679	2.3
461.22501	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	461.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
64.35178	1.1
67.05495	2.0
69.03420	2.6
69.07072	2.5
69.40209	6.6
69.40624	2.2
72.18139	1.1
79.05530	1.7
81.03403	1.9
81.07051	2.8
83.04962	1.0
83.08639	1.2
85.02912	4.3
91.05456	1.7
93.07016	2.3
95.08612	2.5
97.02894	1.6
97.06538	2.2
98.20764	1.6
105.07026	2.5
107.08603	2.4
109.02910	1.7
110.96559	1.0
119.08593	1.3
121.10147	1.8
123.11743	1.3
125.09612	1.3
127.03960	3.2
140.62079	1.1
161.06047	2.6
185.04330	1.1
186.08923	1.1
213.14645	9.0
237.02811	1.2
239.07127	3.8
241.05196	1.4
241.14215	3.5
243.10222	2.0
253.05092	1.2
256.07343	3.2
269.04578	2.0
284.06824	43.7
285.07382	1.9
299.09171	100.0
300.09683	3.3
327.45169	1.2
357.18781	1.8
375.19901	15.1
417.20889	48.8
418.21500	1.8
461.12994	2.1
461.20035	57.4
461.26523	2.7
462.20651	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	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
55.01874	15.4
55.05510	20.7
57.03439	12.9
57.07082	4.6
59.04995	3.2
61.02925	4.8
61.69396	1.6
67.05506	8.5
68.99799	2.6
69.03435	63.1
69.06717	3.2
69.07073	45.1
71.05003	10.4
71.10506	3.8
73.02926	13.0
79.05502	5.8
81.03422	56.6
81.07057	27.7
83.04980	8.7
83.08619	8.1
85.02908	100.0
85.06544	20.7
87.00295	2.3
87.00833	40.4
87.04469	2.5
91.03943	3.0
91.05480	2.0
93.07053	13.5
95.08613	39.7
95.09228	1.9
97.02894	31.9
97.06544	6.2
97.10176	14.4
99.04459	22.9
99.08097	34.2
103.03949	1.9
105.01872	28.3
105.07030	2.5
107.08591	21.6
109.02885	58.5
109.10162	16.0
111.08071	3.7
111.11725	10.9
113.09642	9.7
114.85724	1.7
115.03938	3.7
117.01864	5.0
121.10145	30.4
123.11702	8.8
125.09678	8.1
125.13253	1.8
127.03925	88.9
129.01804	7.8
135.11710	13.5
137.13263	18.2
137.48288	1.9
139.11212	7.3
144.23686	1.6
145.04958	30.3
147.02850	6.9
149.13293	4.7
151.14848	6.9
153.12743	20.8
159.02916	34.5
165.75540	1.6
175.14812	2.6
177.16400	70.5
183.71405	1.6
189.03958	2.5
193.15884	1.8
195.17447	70.7
196.17856	2.1
213.03940	4.2
213.18495	51.3
213.20412	3.5
231.05022	19.3
237.18471	3.2
241.04944	4.4
241.53360	1.7
269.04538	4.5
274.13989	1.6
299.05508	26.7
369.81918	1.7
425.22095	1.8
461.24048	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	461.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05467	0.2
57.03420	0.3
63.03710	0.1
67.05471	0.5
69.03410	0.4
69.07048	0.3
71.12505	0.4
73.02882	0.4
79.05464	0.5
81.03385	0.2
81.07056	1.0
83.04939	0.2
83.08585	0.2
84.08116	0.3
85.02917	1.0
85.06503	0.2
89.41864	0.2
91.05462	0.4
93.07011	0.4
95.04983	0.2
95.08574	0.3
97.02843	0.3
97.06496	0.2
99.04454	0.2
105.06999	0.7
107.04921	0.3
107.08546	0.3
109.06490	0.2
113.02328	0.2
118.04103	0.2
119.04903	0.2
119.08545	0.3
121.06499	0.2
121.10130	0.3
123.00787	0.5
123.11687	0.4
127.03872	0.4
131.04907	0.4
132.05725	0.4
133.06448	0.5
134.07196	0.3
137.02332	0.5
147.04382	0.2
147.11719	1.0
151.00229	0.6
152.01062	1.8
153.01816	0.3
153.06894	0.2
161.05978	1.3
164.43095	0.2
165.12758	0.6
166.02602	0.2
168.05717	0.4
169.01405	0.2
169.06337	0.2
170.02063	0.3
177.16443	0.3
178.02776	0.2
182.07289	0.4
183.08002	0.7
183.25951	0.2
185.05986	0.3
196.05206	0.5
196.27162	0.2
197.05980	0.2
198.66881	0.2
199.07610	0.2
203.71291	0.2
210.06813	0.2
211.07578	0.9
213.05461	0.8
213.14580	0.7
213.18419	0.2
223.03802	0.2
225.05424	0.6
227.07001	0.4
228.07817	0.3
229.14333	0.3
239.07045	2.4
241.04936	1.5
241.14101	0.6
243.10217	1.1
252.04230	0.3
253.05006	1.0
255.06525	1.0
256.07327	2.9
267.06479	0.3
269.04526	1.2
283.05960	0.2
284.06808	48.1
285.07135	1.1
285.17023	0.5
299.09158	100.0
300.09445	2.7
375.19962	1.9
417.20908	4.2
417.25803	0.3
451.20087	0.2
461.20010	8.3
462.20456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01863	2.8
55.05512	6.4
57.07074	1.9
64.17179	1.2
65.03935	2.6
67.05167	2.0
67.05507	23.7
69.03419	4.5
69.07069	9.1
71.08627	1.7
71.58016	2.2
79.05485	13.2
81.03410	4.1
81.07061	16.7
83.08613	2.5
85.02933	1.4
85.06479	1.2
86.28837	1.2
91.05483	27.4
93.07059	14.3
95.01345	1.5
95.04955	4.6
95.08610	9.4
97.10142	1.5
103.05450	4.3
105.07038	34.3
107.04935	3.3
107.08599	15.5
109.06551	2.8
109.10160	21.2
111.08070	1.3
111.82882	1.0
115.05462	6.4
117.07021	20.4
119.04955	2.1
119.08585	77.2
121.06503	4.1
121.10156	6.9
123.04427	1.1
123.08092	1.5
123.11671	1.3
124.58070	1.4
128.06233	5.6
129.07007	10.9
130.07790	7.8
131.01305	1.0
131.04916	2.7
131.08580	20.4
131.42043	1.0
132.26697	1.1
133.06467	3.5
133.10115	4.2
135.04449	2.3
135.11699	2.2
141.06995	4.5
142.07800	2.4
143.08551	9.5
145.06456	5.2
145.10130	86.4
147.08055	5.3
147.11650	3.1
149.02328	6.4
149.09654	2.6
151.03935	6.5
155.08488	3.6
156.09331	4.3
157.06512	4.6
157.10065	5.4
158.07289	2.4
159.04390	3.9
159.08043	6.5
159.11697	21.4
161.02350	2.9
161.06017	2.3
161.09608	1.9
163.03909	3.6
163.11165	3.5
165.06976	3.3
166.07799	4.4
167.03406	8.1
169.06393	2.8
169.10167	2.7
171.08060	3.4
171.11684	3.0
173.06087	1.9
173.09593	2.6
173.13269	1.3
174.06728	2.6
175.03909	30.4
175.07544	6.2
175.11206	1.7
177.05450	8.8
179.08578	2.0
181.10146	2.3
183.08002	2.1
184.08876	1.4
185.05956	2.5
185.09618	1.2
187.03909	2.8
187.07565	1.6
187.11195	4.1
189.05455	4.5
189.09120	2.2
191.03433	1.5
191.06993	1.4
191.10651	4.3
193.04956	1.3
197.05930	1.7
197.09624	1.7
199.07472	1.6
199.11214	12.3
199.14827	1.5
201.09065	4.8
201.16393	41.3
203.03410	58.9
203.07034	50.7
203.08981	1.7
203.14468	1.5
205.04971	100.0
209.09634	2.4
211.07538	2.2
213.09036	1.6
213.12761	1.3
215.10661	10.1
219.06696	1.4
219.10164	27.7
225.09091	1.5
227.10683	28.9
229.08598	1.4
231.13737	12.3
241.08633	2.3
241.12270	2.9
243.10173	20.4
245.08098	4.6
257.08054	6.9
259.09677	26.9
259.13284	31.4
260.13797	1.6
261.11230	69.5
269.08066	2.1
283.16852	1.2
311.09131	2.2
319.09772	1.7
321.11050	1.3
346.12347	1.3
351.16089	1.8
353.17477	1.9
361.17722	1.5
369.24365	2.7
379.19006	17.1
387.25128	1.5
401.17343	6.2
405.20712	3.9
429.16998	4.2
433.20316	6.7
443.18185	2.1
443.27744	2.4
461.19547	10.4
461.27032	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1448
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.31871	0.1
53.72369	0.1
55.05487	0.2
57.03415	0.1
67.05479	0.2
68.99777	0.2
69.03407	0.2
69.07047	0.2
70.68201	0.1
70.68549	0.2
71.04991	0.1
73.02891	0.1
79.05463	0.2
81.03394	0.1
81.07052	0.4
83.04964	0.1
83.08588	0.1
85.02914	0.5
85.06503	0.1
91.05444	0.2
93.07031	0.2
95.04915	0.1
95.08581	0.3
97.02888	0.2
97.06532	0.1
98.18765	0.1
99.04414	0.1
99.08080	0.2
101.91623	0.1
105.06993	0.2
107.04934	0.2
107.08543	0.2
108.02125	0.1
109.02847	0.1
109.06416	0.1
109.10135	0.1
111.04419	0.2
111.97351	0.1
118.04161	0.1
119.04955	0.1
119.08579	0.2
121.06480	0.1
121.10098	0.2
123.00766	0.2
123.11698	0.1
124.01566	0.2
127.03876	0.2
132.05730	0.7
133.06540	0.5
135.04379	0.3
137.05986	0.6
138.03084	0.2
139.03909	0.2
140.06087	0.1
141.07068	0.1
147.11652	0.3
148.05103	0.1
151.03883	0.1
153.06964	0.2
157.06494	0.1
161.05956	0.1
162.66191	0.1
163.03894	0.2
165.06888	0.1
165.12772	0.2
166.02661	0.6
167.03432	0.5
168.05710	0.4
169.01312	0.2
171.04381	0.1
171.08089	0.1
172.08821	0.1
175.03915	0.1
176.04720	0.2
177.05424	0.1
177.16457	0.1
181.06601	0.1
182.07263	0.6
183.08081	1.2
184.03683	1.9
185.05998	0.3
195.17441	0.2
196.05196	0.5
197.05965	0.6
199.07652	0.1
200.08353	0.3
208.05273	0.2
210.06783	0.7
211.07584	1.9
212.04768	0.1
213.05508	0.7
213.18456	0.1
224.04642	0.3
225.05452	0.4
227.07051	1.3
228.07860	1.0
239.07056	3.0
240.07742	0.3
241.04980	1.0
243.10197	4.2
252.04144	0.3
253.04956	0.1
255.06610	0.8
256.07336	6.6
257.07590	0.2
267.06546	1.1
268.07245	0.3
269.04370	0.3
269.07425	0.1
271.09811	0.1
283.06104	1.8
284.06818	17.2
285.07239	0.4
299.09171	100.0
300.09506	2.9
317.08694	0.1
388.16144	0.1
461.19977	0.4
464.86060	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1446
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
67.05481	0.1
68.99791	0.1
70.04660	0.5
79.01819	0.1
79.05499	0.2
81.07030	0.2
85.02879	0.3
95.08598	0.2
107.04965	0.2
111.04442	0.2
118.04171	0.1
119.08559	0.2
124.01587	0.2
132.05717	0.6
133.06503	0.3
135.04396	0.2
136.98238	0.1
137.05960	0.5
139.03929	0.2
147.11674	0.2
148.24959	0.1
152.00992	0.1
157.06497	0.2
161.05989	0.2
161.76083	0.1
163.03949	0.2
166.02597	0.7
167.03413	0.3
168.05711	0.4
169.01404	0.2
171.08070	0.1
182.07268	0.5
183.08090	1.1
184.03687	1.7
185.05994	0.2
196.05278	0.7
197.05957	0.6
197.92421	0.1
199.07547	0.2
200.08263	0.2
210.06801	0.5
211.07574	1.8
213.05574	0.7
223.03944	0.1
224.04713	0.3
225.05443	0.3
227.07045	1.1
228.07800	0.9
239.07040	2.8
240.07713	0.2
241.05054	0.9
243.10190	3.7
248.79080	0.1
252.04068	0.2
253.05119	0.2
255.06564	0.7
256.07315	6.3
267.06537	1.0
268.07376	0.1
269.04510	0.3
283.06039	1.5
284.06812	16.4
285.07095	0.4
299.09158	100.0
300.09512	2.4
461.19528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1445
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03434	0.2
69.07052	0.2
70.02817	0.8
71.04976	0.2
73.02908	0.4
81.07074	1.1
85.02886	0.5
91.05452	0.4
97.06534	0.2
97.74638	0.2
100.66154	0.2
103.98557	0.2
105.07037	0.9
107.08556	0.2
113.02339	0.2
118.63663	0.2
119.04913	0.2
119.08580	0.3
121.06515	0.2
121.10131	0.3
123.00787	0.2
123.11677	0.3
132.05716	0.4
133.06487	0.4
134.07286	0.2
137.02319	0.5
138.03053	0.2
147.11653	0.8
151.00255	0.8
152.01039	1.9
153.01857	0.2
161.06030	1.4
165.12769	0.4
168.05740	0.3
170.02098	0.2
182.07306	0.4
183.08115	0.9
185.05995	0.3
196.05193	0.6
197.06024	0.6
211.07614	1.0
213.05499	0.8
224.04649	0.2
225.05446	0.3
227.07048	0.6
228.07799	0.3
229.14261	0.2
239.07025	2.3
241.04915	1.3
243.10179	1.3
252.04271	0.4
253.04988	1.1
255.06514	1.0
256.07343	2.8
269.04492	1.3
269.07037	0.2
283.06012	0.3
284.06812	48.9
285.07156	1.3
285.17072	0.3
299.09161	100.0
300.09491	3.0
310.01157	0.2
338.05414	0.2
417.21078	0.8
448.25778	0.2
461.20044	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74852	0.2
53.38518	0.2
55.01889	0.2
55.05508	0.4
61.02941	0.2
67.05490	0.5
69.03429	0.7
69.07059	0.5
69.48885	1.5
71.04994	0.5
81.03412	0.6
81.07058	0.7
84.10374	0.2
85.02908	1.4
85.06528	0.3
87.00803	0.5
89.03947	0.5
91.05478	0.3
93.07078	0.3
95.08595	0.7
97.02869	0.8
97.10178	0.2
99.04475	0.4
99.08106	0.4
105.01879	0.2
105.07059	0.2
107.08594	0.5
108.50566	0.2
109.02866	0.8
109.10165	0.6
121.10148	0.7
123.00800	0.5
125.09592	0.4
127.03910	1.0
128.06239	0.3
129.07004	3.0
131.04942	0.4
133.10143	0.3
135.11700	0.3
137.13249	0.3
139.05397	0.7
141.06972	0.4
143.04851	0.3
145.04904	0.3
147.04434	0.3
152.01038	0.4
157.06502	1.5
167.04903	1.1
169.06548	0.2
177.16370	1.0
185.05980	7.3
193.10289	0.2
195.04422	1.0
195.17476	0.7
197.06023	0.7
213.05447	3.5
213.18556	0.3
223.03917	0.6
225.05444	0.9
241.04964	16.3
242.05391	0.3
243.06560	2.6
253.04994	1.0
269.04449	16.2
270.04819	0.5
271.06146	0.3
284.06674	0.8
294.01019	0.2
299.05511	100.0
299.08560	3.5
300.05978	2.0
303.05054	0.4
375.16940	0.2
461.09775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1445
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
54.61779	0.2
55.01883	0.4
55.05502	0.3
60.35477	0.2
67.05493	0.6
69.03427	0.5
69.07048	0.3
71.05003	0.3
79.05508	0.3
81.03404	0.6
81.07040	0.8
84.08126	0.9
85.02902	2.5
85.06540	0.5
91.05480	0.3
93.07040	0.6
95.04963	0.2
95.08624	0.6
97.06511	0.4
105.07030	0.4
107.08600	0.4
109.02867	0.4
109.10165	0.8
121.02855	0.4
121.10152	0.4
123.08043	0.4
123.11700	0.3
125.09588	0.3
127.03954	0.4
134.03598	0.3
135.11697	0.2
137.02325	1.9
137.06017	0.5
148.05148	1.3
149.02342	0.5
153.12747	0.5
162.03140	0.7
163.03900	0.4
163.11165	0.2
167.03419	2.4
177.16386	0.3
186.19290	0.2
195.13835	0.4
195.17502	0.3
197.05966	0.5
199.07500	0.5
210.06738	0.9
213.05484	0.6
213.14850	2.8
213.18375	0.3
218.80768	0.3
226.06396	0.3
227.06976	0.4
231.09106	0.3
237.05479	7.0
238.06262	3.7
239.06993	0.7
240.07663	0.3
241.04919	0.6
243.10095	1.3
252.04311	0.4
253.05032	0.6
254.05815	0.6
255.06564	5.0
256.07321	0.3
265.04953	4.3
266.05753	7.3
267.06488	2.2
268.07532	0.3
269.04507	1.5
277.99118	0.3
283.06027	13.9
284.06775	4.6
295.05908	0.5
299.09146	100.0
300.06512	0.4
300.09503	2.0
315.08585	1.0
341.06323	0.6
440.53555	0.3
461.14673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.11
Annotation	Irilone 4'-O-glucoside
Peak:m/z	Relative Intensity
52.71347	0.2
53.03950	0.1
55.01872	0.2
55.05507	0.5
57.03441	0.3
63.58698	0.2
67.05485	0.4
69.03445	0.8
69.07068	0.7
70.00571	0.7
71.04996	0.6
73.02840	0.2
79.05482	0.3
81.03413	0.8
81.07068	0.8
83.04960	0.2
83.08609	0.3
84.08137	0.2
85.02923	1.5
85.06527	0.3
87.00831	0.4
89.03947	0.3
91.05499	0.4
93.07029	0.5
95.08625	0.9
96.08931	0.2
97.02893	1.0
97.06532	0.4
97.10118	0.2
99.04458	0.4
99.08124	0.7
103.05470	0.2
105.01835	0.2
105.07039	0.3
107.08582	0.5
109.02886	0.4
109.10159	1.0
113.09583	0.2
119.08556	0.2
121.10174	0.8
123.00809	0.5
123.11724	0.2
125.09616	0.3
127.03931	0.8
128.06236	0.4
129.07007	2.5
131.04916	0.8
133.10191	0.3
135.11711	0.4
137.05978	0.2
137.09518	0.1
137.13286	0.2
139.05374	0.8
141.06998	0.5
143.04916	0.2
145.04955	0.6
145.10010	0.2
152.01103	0.3
153.01787	0.2
153.12790	0.2
155.10742	0.2
157.06505	2.2
163.07521	0.2
167.04942	0.8
169.06535	0.2
177.16386	0.8
185.05984	7.2
186.06229	0.2
193.15985	0.2
195.04369	1.0
195.17471	1.1
197.05978	0.4
211.16963	0.3
212.17271	0.3
213.05458	3.1
213.18594	0.8
223.03935	0.5
225.05470	0.6
240.04263	0.2
241.04964	16.9
242.05287	0.3
243.06560	2.8
253.05008	0.8
269.04474	16.4
270.04837	0.5
271.05963	0.2
283.06152	0.3
284.06763	0.6
285.06686	0.3
295.65314	0.2
299.05515	100.0
300.05853	2.7
303.04999	0.6
315.08658	0.4
461.10263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.05517	8.7
56.05040	3.8
57.03429	1.3
57.07066	3.0
58.02950	1.6
60.04496	1.0
61.02922	1.2
62.38066	0.6
65.03946	1.1
67.05167	1.0
67.05505	13.2
68.05016	0.8
69.03441	5.0
69.07070	8.8
71.04998	0.7
71.08617	0.7
71.56104	1.1
72.04499	0.9
79.05495	10.2
80.04996	2.9
81.03407	2.7
81.07059	11.0
82.06584	6.1
83.04979	1.1
83.08623	5.8
84.08154	1.0
85.02492	0.8
85.02914	9.3
85.10149	0.8
86.06068	1.2
91.05489	6.8
93.05791	0.8
93.07056	7.3
94.06581	5.3
95.04937	1.6
95.07364	1.3
95.08607	10.0
96.08135	2.5
97.02895	3.5
97.06529	1.6
97.10169	2.5
98.06004	1.3
99.04493	1.2
100.07568	1.3
105.07036	3.7
107.04929	0.8
107.08610	4.0
108.08111	1.5
109.02930	0.9
109.10139	3.2
114.09139	0.9
117.06980	0.9
119.08572	2.7
121.06490	0.7
121.10146	3.6
122.09697	1.5
123.11693	1.1
127.03928	1.2
129.07030	0.8
131.08556	1.0
133.10141	3.0
135.11687	2.6
140.10695	1.1
140.32022	0.7
145.04912	1.4
145.10127	1.2
147.08110	1.0
147.11603	1.3
153.01840	2.4
183.01248	0.9
203.07043	1.4
219.20921	0.9
221.88339	0.7
245.22591	0.8
250.25288	5.5
262.25323	29.1
264.26871	3.6
280.26367	100.0
281.26761	1.5
298.27451	3.6
309.05435	0.7
334.28915	0.9
386.24191	1.2
394.29456	0.8
412.30652	1.5
424.30548	2.1
442.31766	7.6
460.27350	1.3
460.33237	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	461.1083
Annotation	Irilone 4'-O-glucoside
Peak:m/z	Relative Intensity
55.05498	0.7
55.74913	0.3
57.03432	0.3
67.05505	0.7
68.99793	0.7
69.03433	1.0
69.07056	0.8
69.42721	1.3
69.43141	0.5
71.04988	0.5
79.05507	0.4
81.03426	0.8
81.07059	1.2
82.61149	0.2
83.04974	0.5
83.08633	0.4
85.02903	1.3
89.03933	0.5
91.05489	0.9
93.07052	0.8
95.04973	0.6
95.08628	1.0
97.02896	0.3
98.97583	0.7
100.11257	0.6
103.05455	0.2
105.07014	1.0
107.08595	0.8
109.02938	0.6
109.06490	0.3
109.10156	0.9
111.00809	0.3
111.04474	0.3
111.08089	0.3
115.05445	0.4
117.03416	0.2
119.08611	0.5
121.06515	0.2
121.10144	0.7
123.00790	2.2
123.08057	0.3
127.03917	0.8
129.07004	0.7
131.04939	1.9
131.08559	0.5
133.10172	0.4
135.11690	0.4
137.06004	0.3
141.07025	0.3
143.08580	0.3
145.06526	0.7
145.10117	0.4
147.04433	0.3
149.02264	0.3
151.07591	0.4
152.01088	0.3
157.02982	0.3
157.06526	0.7
157.10173	0.5
158.99727	0.3
161.56595	0.2
165.09100	0.7
169.06520	0.3
171.04420	0.7
171.11681	0.4
177.16371	0.3
185.06003	0.8
186.46506	0.3
187.14853	0.3
197.05862	0.3
199.03922	1.8
200.12817	0.4
201.13219	0.3
212.07062	0.5
213.05537	3.6
213.07423	0.7
213.18481	0.5
228.07278	0.3
240.04152	0.4
241.04977	24.9
242.05368	0.6
243.06490	0.5
269.04471	23.6
270.04794	0.4
284.06824	1.4
299.05545	100.0
300.05814	2.4
315.08624	0.3
329.09775	0.3
363.18350	0.7
461.12146	0.6
461.28922	0.7
484.32852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01871	1.3
55.05291	0.9
55.05517	8.1
56.05039	5.0
56.96582	1.1
57.03435	1.5
57.07080	2.1
58.02964	1.6
60.04518	2.2
61.02926	2.3
65.03924	0.7
67.05179	0.9
67.05513	15.3
68.05019	2.4
69.03432	5.2
69.07077	8.6
71.08633	1.7
71.57592	0.7
72.04513	1.5
73.02925	0.9
75.11562	0.6
79.05500	10.4
80.05010	2.9
81.03400	2.4
81.07061	13.7
82.06580	6.8
83.04988	1.7
83.08621	5.2
84.08136	1.5
85.02911	9.3
86.06053	1.9
87.04463	0.8
91.05487	7.6
93.05795	0.8
93.07056	8.0
94.06579	6.2
95.04996	1.8
95.07320	2.0
95.08611	12.0
96.08133	5.6
97.02901	4.1
97.10166	2.6
98.06055	1.2
99.04492	0.7
100.07607	1.8
105.07030	5.0
107.04907	0.8
107.08611	3.8
108.08131	1.6
109.02894	1.4
109.10162	4.8
111.11646	0.6
112.07561	0.7
114.09186	0.7
117.07040	0.8
119.08581	3.4
121.06511	0.8
121.10155	2.8
122.09738	1.6
123.11726	1.5
127.03917	1.9
133.10149	3.9
135.11670	2.3
136.11230	0.9
145.04984	0.8
145.10066	1.1
147.11673	1.6
147.95207	0.6
151.03938	0.8
203.07037	6.2
205.05016	0.7
219.91327	0.7
245.22678	0.7
250.25334	5.5
260.23727	1.2
262.25320	29.5
264.27090	3.4
280.26370	100.0
281.26764	1.2
292.26367	0.7
294.63971	0.6
298.27408	4.1
322.27402	1.3
368.22891	0.8
412.30524	1.8
424.30612	1.6
442.31799	8.5
460.33090	4.5
461.12552	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.4
54.49474	0.7
55.01658	0.8
55.01875	10.0
57.03438	5.1
58.57808	0.8
60.04509	1.0
61.02935	5.0
64.91716	0.7
68.99784	3.4
69.03433	30.5
69.03809	1.6
69.31212	6.4
71.04991	4.3
71.05923	0.8
73.02921	7.4
79.05503	2.0
81.03422	30.0
85.02909	79.5
87.00835	36.1
91.03961	2.8
92.37039	0.8
97.02892	28.8
98.06020	1.2
98.21447	1.7
99.04456	13.0
101.02338	0.9
103.05463	5.6
105.01875	27.2
105.07024	3.2
107.04964	8.0
108.04490	9.8
109.02885	34.7
111.04381	0.9
115.05462	1.2
117.01865	4.4
126.05506	5.0
127.03924	55.7
129.01837	3.7
131.04907	1.1
135.08081	7.1
139.03900	3.4
141.07256	0.8
145.04968	24.7
147.02856	4.2
154.06259	31.1
159.02895	20.3
163.07550	26.9
163.08948	1.4
171.03008	0.8
173.05959	1.1
177.03963	1.7
180.07784	1.5
193.08612	0.9
195.10181	100.0
196.10603	1.7
200.12952	0.8
212.05620	1.0
213.03946	2.1
230.06580	2.7
231.05032	11.2
248.07660	6.8
266.08722	1.8
284.06757	1.3
299.09195	9.1
333.13699	0.9
350.85468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.1
56.08601	2.0
57.07064	4.4
59.47519	2.2
67.05518	16.8
69.07076	22.2
69.56387	5.2
69.56796	12.6
71.08633	3.8
79.05493	12.0
81.07063	35.1
81.58170	2.2
83.08608	7.4
83.30409	2.5
91.05493	24.8
93.07050	24.7
95.04964	3.5
95.08619	38.5
97.10168	3.1
98.20765	4.6
99.04473	5.8
103.05467	2.5
105.07041	44.6
106.36921	2.5
107.08604	29.0
109.09541	3.2
109.10170	27.7
111.11752	4.8
117.07014	12.6
119.08589	41.7
121.10156	49.4
123.08092	2.6
123.11720	22.7
128.06195	2.3
129.06999	4.8
130.07739	4.3
131.04950	2.3
131.08611	20.5
133.10156	17.5
135.11717	12.9
137.13248	9.1
143.08568	7.7
145.10138	100.0
147.11687	20.4
149.13284	15.4
157.10126	4.8
159.11716	29.8
161.13335	11.3
163.14862	2.9
165.12785	4.3
171.11719	2.6
173.09419	3.0
173.13263	9.1
175.14883	12.8
177.16440	3.1
179.14325	5.0
183.07919	2.5
185.13486	3.1
187.14882	5.6
189.09221	2.9
189.16371	6.8
193.15839	3.0
199.14766	2.7
201.16400	80.5
203.06963	6.9
203.14268	2.7
203.17972	3.7
205.19635	3.5
211.07576	12.5
213.09033	3.2
217.15974	2.9
229.08638	19.9
229.19492	3.1
231.21060	4.5
239.07037	4.2
241.08601	9.6
243.06624	5.7
244.07277	3.4
257.08090	40.5
259.09689	79.3
260.10101	3.5
267.10101	3.7
271.24316	3.2
301.25235	2.8
303.26764	3.4
305.24704	3.3
423.36267	23.9
434.89166	2.8
441.37451	21.9
459.25452	41.8
459.31915	8.0
460.25513	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	459.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99912	1.1
53.03944	6.7
55.01871	7.1
55.05513	32.5
56.99856	1.2
57.03442	7.3
57.07065	1.7
59.04982	1.6
65.03931	3.6
67.05506	42.3
67.05869	2.4
69.03430	6.0
69.07072	10.4
71.04994	6.1
71.57774	1.7
71.58156	1.7
74.31500	1.0
79.05495	45.9
81.03420	98.0
81.07058	39.6
83.04977	9.9
83.08622	25.8
85.02928	1.0
85.06525	2.4
91.05481	51.7
93.07055	30.2
95.04362	1.7
95.04965	34.1
95.08603	16.2
97.02885	3.2
97.06516	5.4
97.10163	14.0
103.05486	2.9
105.04517	1.3
105.07033	34.6
107.04965	21.4
107.08595	16.7
109.02856	1.2
109.06522	7.2
109.10156	8.4
111.04437	1.7
111.08089	10.1
111.37938	1.1
113.05989	1.1
115.05431	5.7
116.06230	1.6
117.03386	1.4
117.07011	12.1
119.04903	3.5
119.08585	25.6
121.06522	13.1
121.10168	8.4
123.04432	2.4
123.08067	7.7
123.11729	1.7
125.09631	12.0
128.06213	5.2
129.07004	23.0
131.04919	4.4
131.08575	22.2
133.06516	11.4
133.10121	15.5
135.08046	4.9
135.11714	3.4
137.06061	1.9
137.09605	3.2
139.07562	1.7
141.06969	5.1
142.07794	4.8
143.08560	8.4
144.05713	3.5
145.06493	31.1
145.10127	9.1
146.03641	1.3
147.04373	1.8
147.08063	11.1
147.11687	13.1
149.05980	1.2
149.09619	7.7
151.03906	1.1
151.07515	2.5
151.11224	2.0
153.09106	4.3
155.04881	1.7
155.08562	4.1
157.06482	6.6
157.10114	20.8
157.11301	1.9
159.08058	6.5
159.11691	3.3
161.05981	6.4
161.09659	3.7
163.11151	3.1
165.09091	7.2
165.12775	3.5
166.07898	1.1
167.08591	3.8
169.06471	3.2
169.10106	5.2
171.08049	8.0
171.10226	1.8
171.11755	4.0
173.09671	2.9
173.13159	1.6
175.07628	1.4
175.11172	15.5
177.12691	1.5
179.07077	2.6
179.08556	1.2
181.06419	1.6
181.10172	3.0
183.04524	1.6
183.08046	3.5
183.11655	2.3
185.09604	3.3
185.13245	2.6
187.11298	1.4
187.14713	1.3
189.09352	1.1
189.11224	6.6
189.12770	1.9
191.10707	1.3
193.12253	54.7
195.08110	1.8
195.11748	5.4
197.09612	2.2
197.13234	4.6
199.11180	3.5
205.12291	1.5
209.13318	1.9
211.03941	1.2
211.11249	2.6
211.13249	2.5
213.12711	3.6
215.14333	3.3
219.13733	1.3
223.11148	2.1
225.12825	2.4
227.14355	3.9
231.13849	1.9
233.15387	4.1
237.12714	5.3
239.03305	2.3
239.14326	2.3
249.14885	4.8
255.13753	9.0
257.15399	2.1
261.12424	1.1
261.24112	1.9
267.16022	1.7
269.04474	10.8
271.16904	1.7
273.14850	23.7
279.25137	3.7
281.15344	2.0
283.16956	2.5
287.16470	1.8
289.18097	1.2
297.03885	5.0
299.16531	2.5
310.92160	1.3
311.16434	1.8
321.22144	2.4
339.23114	7.0
349.17337	1.6
349.21619	23.7
357.24173	3.9
367.22702	48.2
385.23724	38.1
393.12982	1.5
403.24850	8.6
405.24435	3.9
414.16489	2.7
423.25406	1.9
441.26395	6.6
459.10916	14.8
459.27411	100.0
460.27853	2.1
465.08026	1.2
482.82236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01875	9.1
55.05264	2.5
55.05513	37.8
55.62324	1.1
56.36821	1.1
57.03439	5.8
59.05025	1.9
61.09235	1.1
65.03941	2.7
67.05172	2.6
67.05508	36.1
69.03449	6.0
69.07077	10.2
69.57321	1.1
69.87440	5.9
71.04983	1.8
73.06535	2.2
74.45079	1.2
79.05502	39.4
79.05944	1.5
81.03425	31.6
81.07059	34.5
83.04999	6.5
83.08626	18.9
85.02904	4.7
85.06543	2.6
91.04963	2.3
91.05491	30.0
93.07051	20.6
95.04978	19.1
95.08609	18.9
97.02901	2.9
97.06549	7.0
97.07054	1.1
97.10174	24.3
98.20733	1.5
98.97555	1.4
103.05433	2.4
105.01897	1.3
105.04488	1.5
105.07037	22.6
107.04974	17.7
107.08599	20.4
109.06520	7.1
109.10165	11.2
111.08079	4.6
113.05988	1.1
115.05458	3.7
115.33220	1.2
117.07015	10.3
119.04997	1.6
119.08586	14.3
121.06516	16.2
121.10178	6.4
123.04408	2.4
123.08094	8.0
123.11741	2.3
125.06088	1.3
125.09631	18.8
127.03920	1.8
128.06201	2.4
129.07007	14.6
131.04950	7.6
131.08582	16.2
133.06497	9.7
133.10138	11.2
135.08055	7.2
135.11707	6.0
137.06004	1.6
137.09628	3.3
139.07539	1.4
141.06990	5.1
142.07803	3.5
143.08560	9.8
144.05698	2.1
145.06490	34.3
145.10101	7.4
147.04424	2.8
147.08046	10.7
147.11664	9.0
149.05957	1.6
149.09651	4.8
149.13264	2.2
151.07529	2.3
151.11285	1.6
153.09123	4.6
153.12772	1.8
155.08554	6.6
157.06503	6.9
157.10126	8.2
159.08051	7.1
159.11710	3.5
161.05989	4.5
161.09630	3.5
163.07483	1.6
163.11130	2.7
165.09149	5.6
165.12787	2.4
167.08594	3.1
169.06528	2.9
169.10153	5.1
171.08060	8.5
171.11659	5.5
173.09651	3.7
173.13219	1.7
175.07539	1.7
175.11172	7.2
175.14847	4.2
179.07066	2.2
179.08540	1.4
181.06548	1.9
181.10136	3.0
182.07242	1.2
183.08109	2.8
183.11688	2.8
184.08713	1.4
185.09637	4.6
185.13307	2.5
187.07425	1.3
187.11153	2.1
187.14813	2.3
189.11244	10.2
189.12758	2.2
191.10626	1.4
192.07881	1.7
193.12270	20.7
193.15907	7.2
195.08115	1.4
195.11736	4.5
197.09636	1.5
197.13281	3.9
199.11247	4.6
203.10506	1.7
205.12227	3.0
207.11749	1.5
209.09616	1.9
211.11241	3.6
211.13184	2.0
211.15100	1.4
211.16946	3.1
213.12804	2.6
214.13219	1.2
215.14343	4.2
217.12341	2.8
223.11151	2.4
225.12836	2.6
227.14320	5.4
231.13785	1.8
233.15399	3.8
235.11220	1.4
237.12718	4.2
239.14343	2.0
241.14226	1.7
245.15372	2.6
249.14961	2.4
255.13824	6.0
257.15497	1.8
271.17007	2.5
273.14880	27.2
281.15408	1.7
283.16858	1.4
287.16293	2.2
289.18039	2.1
321.22101	2.4
331.20419	2.0
335.15540	1.1
339.23184	8.5
349.21674	24.3
357.24069	6.2
367.22714	55.0
368.23163	1.8
369.09824	2.0
385.18756	2.6
385.23776	56.0
386.24115	2.0
403.24744	11.4
404.33020	1.2
405.24228	4.6
423.25345	3.3
441.26581	7.1
459.27438	100.0
460.27692	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	459.2533
Annotation	Adenostin A
Peak:m/z	Relative Intensity
53.03932	1.5
53.37541	0.9
54.98705	1.0
55.05503	3.4
65.03925	1.5
65.28824	0.9
67.05507	14.5
69.03413	2.9
69.07070	11.3
71.19125	1.7
71.19469	1.5
79.05500	5.4
81.07060	14.8
83.08608	1.6
91.05482	16.4
93.07037	9.8
94.04156	1.0
95.04970	2.1
95.08635	6.6
99.04475	2.8
103.05489	1.7
105.07039	19.2
105.95056	1.2
107.08606	9.8
109.06539	1.7
109.10165	19.3
113.61187	1.1
117.07030	8.5
119.08589	32.3
121.06478	1.4
121.10143	4.2
123.11761	1.1
124.01943	1.0
128.06233	3.9
129.07008	7.8
130.07794	4.5
131.08577	6.9
133.06482	1.3
133.10133	4.2
135.04416	1.5
135.08096	1.7
135.11707	2.6
141.07024	6.8
143.08595	5.0
144.05753	1.1
144.09358	1.3
145.06480	2.9
145.10127	33.3
146.07239	1.2
147.04420	2.0
147.08052	3.2
147.11676	1.4
149.02328	1.4
149.13329	1.4
151.07549	3.8
153.06984	3.0
154.07767	9.3
155.08504	4.7
157.06480	2.5
157.10144	1.5
158.07300	2.2
159.08102	3.4
159.11707	11.7
161.02312	5.4
161.06018	1.6
161.09622	1.1
161.13272	1.5
165.01820	1.8
165.06998	2.1
167.03368	1.4
167.08589	4.1
169.10115	9.5
171.08026	2.8
171.11691	1.1
172.08794	1.3
173.09683	1.8
173.13306	1.6
175.03990	1.1
175.07614	3.4
178.07761	2.4
179.03340	1.3
179.08554	4.7
181.06497	3.2
182.07314	3.4
183.08075	2.7
184.08827	1.5
185.06052	5.2
185.09593	2.1
185.13374	1.5
187.03926	3.2
187.07516	1.8
187.11182	1.1
187.14798	1.2
189.05391	1.1
189.09119	3.0
191.10675	3.2
195.08109	3.4
196.08878	4.0
197.09630	23.4
198.06760	1.3
199.07562	3.7
199.11264	1.9
201.05492	1.2
201.09102	2.5
201.12791	4.1
201.16385	19.0
203.07034	60.5
203.17900	1.4
204.07336	1.6
207.08154	3.4
208.08902	5.4
211.07536	8.9
211.10907	1.1
213.09094	3.8
214.09973	1.7
215.10666	1.1
217.08615	2.9
223.07561	2.0
225.09108	12.7
227.07132	1.1
227.10777	1.3
229.08688	12.5
229.12244	29.4
239.07043	3.5
241.08618	9.0
243.06607	4.0
243.10109	8.0
244.07341	2.8
251.10744	1.3
255.10181	2.8
257.08084	26.4
257.11624	7.8
259.09671	48.4
266.09351	1.2
267.10254	2.5
269.08136	3.9
269.11819	1.6
277.08765	1.7
279.10199	5.7
279.13000	1.0
281.11746	4.2
283.09534	1.2
291.10150	2.1
293.11728	6.5
295.13434	1.3
305.11694	3.7
307.09909	1.2
307.13309	3.6
309.11423	2.4
319.13312	1.6
321.11401	1.5
321.14798	5.1
323.13034	1.5
333.14862	2.2
335.16351	2.1
347.16397	1.8
348.17111	2.0
349.14197	3.2
349.18079	2.0
351.16107	2.2
359.16470	1.9
361.17722	1.2
363.19934	1.1
377.17496	9.2
388.20090	1.1
391.18964	7.9
399.15976	9.3
403.19016	3.4
431.18683	3.4
431.25858	5.8
441.24274	5.8
459.18506	6.7
459.25323	100.0
460.25674	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	459.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.4
54.85512	0.6
55.01856	1.0
55.05488	2.9
57.07062	1.7
65.03942	0.9
67.05505	18.4
69.07081	7.6
69.83141	3.4
71.08624	1.3
79.05495	4.4
81.06587	0.8
81.07053	12.4
83.08591	1.5
91.04889	0.7
91.05483	15.1
93.07042	7.4
95.04973	1.0
95.08606	4.7
100.75703	0.6
103.05452	1.7
104.06230	0.9
105.07039	24.4
107.07951	1.0
107.08604	9.7
109.10164	21.0
109.10915	1.3
110.82377	0.6
115.05432	2.4
116.06228	1.0
117.07018	12.1
119.08587	68.9
121.10162	4.8
128.06183	1.3
129.06999	3.3
130.07787	5.7
131.04898	1.8
131.08578	11.3
133.10141	4.1
135.11644	1.1
142.07721	1.2
143.08589	4.4
144.05710	0.8
144.09314	1.3
145.10132	82.6
147.11697	0.8
149.02347	0.9
155.08588	3.9
157.10132	1.9
158.07272	2.8
159.04436	0.9
159.08029	2.3
159.11703	18.5
161.02370	1.1
161.05966	1.7
161.13228	0.8
167.03296	0.9
169.06332	0.7
171.04343	0.9
171.07997	1.1
173.05827	1.0
173.13202	0.8
175.03865	4.2
177.05521	0.8
178.49107	0.6
178.77657	0.6
183.06410	0.6
183.08022	1.9
185.05907	1.3
186.06729	0.8
187.03923	1.3
187.07449	0.7
189.05452	1.5
189.09134	0.8
195.08008	2.1
197.13240	0.7
199.07571	0.7
201.05452	1.3
201.09119	1.5
201.16380	37.0
203.07039	7.4
205.05077	1.5
209.13193	0.9
211.07552	22.2
211.14784	1.1
213.05533	0.9
213.09088	4.2
214.06248	2.8
215.06976	1.1
217.04993	1.7
217.08533	0.8
227.07106	1.5
229.04970	2.7
229.08598	27.3
239.07031	10.5
241.03105	0.9
241.08615	10.6
242.05711	4.1
243.06563	5.7
244.07268	6.4
245.08076	1.8
257.08105	53.7
258.08710	1.2
259.09677	100.0
260.09930	1.3
283.16879	3.1
291.06699	1.0
319.13016	0.8
331.17096	0.8
335.05118	0.7
337.14246	0.9
349.14294	3.5
351.15854	1.8
359.16443	2.8
375.15833	2.5
377.17499	18.3
378.17883	0.7
403.19177	1.2
430.21268	0.6
441.24158	1.2
459.25299	36.9
460.25760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98209	0.5
55.01890	0.4
55.05502	1.2
57.07077	2.1
65.03953	0.5
67.05513	2.0
69.07080	4.1
69.31750	2.6
69.32174	1.4
71.08638	3.9
79.05486	0.9
81.07062	2.6
83.08630	1.8
83.47967	0.4
86.03522	0.4
88.78181	0.4
91.05489	4.7
93.07034	1.6
93.10938	0.4
95.06019	0.4
95.08608	2.4
95.10686	0.5
98.20773	0.9
101.02390	0.6
105.07037	14.1
107.08595	1.6
109.10161	2.1
115.05476	0.6
117.07025	5.1
119.08584	14.3
121.10162	2.8
123.11690	1.1
128.06209	0.7
128.18130	0.4
129.07028	1.4
130.07782	4.2
131.08572	12.2
133.10138	1.5
135.11691	0.7
142.07753	0.6
143.08560	2.4
144.09380	2.0
145.10130	87.6
146.10515	1.1
147.11714	1.1
149.13223	0.8
155.08569	0.8
157.10144	1.4
158.07332	0.5
159.04308	0.4
159.08014	0.5
159.11703	19.4
160.05408	0.4
160.11986	0.7
173.13297	1.4
175.03877	0.6
175.14830	0.6
183.08060	0.4
185.06059	0.5
189.05481	0.6
195.08031	0.9
198.06830	0.6
199.07549	0.6
201.05528	0.7
201.16397	47.6
202.16801	0.7
203.07039	1.1
205.04982	1.1
211.07553	5.0
213.09091	2.5
217.05057	0.8
217.08621	0.5
229.05032	1.8
229.08609	7.1
239.07042	1.9
241.08623	10.1
242.05617	0.7
243.06570	2.9
244.07327	5.7
257.08115	17.2
258.08484	0.6
259.09677	100.0
260.10040	2.0
261.19305	0.5
267.10126	0.7
319.42200	0.5
417.21118	0.5
423.36063	1.1
429.16800	0.9
441.37534	1.0
443.18741	0.9
444.19559	0.8
459.26263	12.1
460.22470	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
53.93785	1.1
55.01883	6.0
55.05505	5.6
56.96554	1.4
57.03428	3.2
57.07074	1.8
59.04993	1.1
61.02919	4.2
67.05505	10.5
68.99789	2.1
69.03432	22.8
69.07066	4.1
69.68549	2.0
69.68952	5.4
70.06590	3.8
71.04984	7.4
72.08135	2.2
73.02902	3.5
76.96514	1.1
79.05482	3.8
81.03424	19.5
81.07071	8.3
83.04978	5.1
83.08628	3.5
85.02910	48.9
85.03431	2.5
85.06526	6.9
87.00836	15.4
91.05480	4.6
93.07049	14.3
95.04967	9.0
95.08608	14.7
97.02880	12.8
98.20705	1.4
98.97593	2.1
99.04478	12.2
99.08098	100.0
105.01881	12.6
105.07036	5.4
107.08587	12.3
109.02891	20.2
109.06488	2.4
109.10170	22.3
113.07056	1.2
113.09666	1.7
117.01898	1.5
117.05456	1.7
118.05804	1.1
119.08553	7.5
121.02872	2.0
121.06530	1.5
121.10139	5.3
123.11706	5.5
125.09624	4.3
127.03925	35.5
127.07526	1.6
129.01819	2.8
130.83542	1.2
131.08505	1.7
133.10149	9.6
134.04613	5.4
135.11696	19.7
137.09627	15.5
145.04973	11.4
145.08586	3.0
147.08099	1.2
151.07542	1.5
155.10677	16.9
159.02893	10.3
165.02318	4.2
165.16331	2.2
175.14894	10.1
177.05481	2.3
182.04967	34.5
182.71236	1.3
185.08910	1.1
189.04008	1.5
193.15894	36.2
195.17513	1.3
208.02892	44.2
211.14941	1.3
211.16931	35.7
213.03996	2.2
227.19382	1.5
229.10542	2.3
230.11035	2.5
231.05028	9.9
247.11737	3.4
248.12155	8.6
297.07156	1.4
326.07187	1.7
327.08731	27.1
459.12189	2.4
459.17432	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	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27462	2.5
51.82170	2.6
53.03941	12.0
55.01871	5.6
55.05508	6.3
57.03428	7.6
60.04523	7.7
61.02929	3.3
67.05505	11.0
68.91332	3.2
68.99789	5.8
69.03438	37.0
69.07063	8.8
70.06598	99.2
70.52572	2.8
70.90730	7.1
71.04982	10.9
74.02440	6.5
79.05482	4.4
81.02979	3.9
81.03426	51.0
81.07054	19.3
83.05001	4.2
85.02917	53.5
86.09703	16.7
87.00857	18.1
88.03996	3.4
91.05506	17.9
93.07040	8.4
95.04980	6.3
95.08603	20.0
97.02911	14.8
97.03944	3.6
99.04457	16.1
99.08110	4.8
105.01862	8.7
105.07041	16.0
107.04954	4.5
107.08591	17.0
109.02889	37.9
109.06534	5.4
109.10175	16.1
109.63833	3.3
111.08096	3.2
118.06548	17.7
119.04934	10.7
119.08595	45.8
121.10144	6.2
123.04430	8.4
123.08061	6.2
123.11691	9.5
127.03927	100.0
130.08652	4.8
132.10181	3.1
133.10147	60.5
135.06799	4.5
135.11707	18.9
136.07599	24.8
136.47758	2.9
137.05994	34.6
137.09622	4.3
145.04935	16.0
145.10100	4.7
146.06026	39.6
147.04395	4.7
147.11632	3.1
149.13203	4.0
157.09723	15.6
159.02838	4.0
161.13161	3.2
165.05478	11.1
175.14828	52.6
177.05521	3.1
179.07025	3.9
182.08130	7.1
185.09198	9.4
185.51187	3.1
193.15913	33.1
211.13145	4.2
211.16951	14.2
213.03970	7.9
219.10205	5.8
231.04988	17.3
239.16452	3.8
240.10176	4.0
254.70093	3.2
254.81836	3.5
261.08707	12.6
261.11191	3.3
272.86267	3.0
277.07907	3.0
285.07690	6.4
286.10779	8.1
355.17032	3.1
373.18570	3.8
393.18008	14.8
415.19348	13.8
416.18677	7.5
441.20920	3.9
459.17819	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
53.93785	1.1
55.01883	6.0
55.05505	5.6
56.96554	1.4
57.03428	3.2
57.07074	1.8
59.04993	1.1
61.02919	4.2
67.05505	10.5
68.99789	2.1
69.03432	22.8
69.07066	4.1
69.68549	2.0
69.68952	5.4
70.06590	3.8
71.04984	7.4
72.08135	2.2
73.02902	3.5
76.96514	1.1
79.05482	3.8
81.03424	19.5
81.07071	8.3
83.04978	5.1
83.08628	3.5
85.02910	48.9
85.03431	2.5
85.06526	6.9
87.00836	15.4
91.05480	4.6
93.07049	14.3
95.04967	9.0
95.08608	14.7
97.02880	12.8
98.20705	1.4
98.97593	2.1
99.04478	12.2
99.08098	100.0
105.01881	12.6
105.07036	5.4
107.08587	12.3
109.02891	20.2
109.06488	2.4
109.10170	22.3
113.07056	1.2
113.09666	1.7
117.01898	1.5
117.05456	1.7
118.05804	1.1
119.08553	7.5
121.02872	2.0
121.06530	1.5
121.10139	5.3
123.11706	5.5
125.09624	4.3
127.03925	35.5
127.07526	1.6
129.01819	2.8
130.83542	1.2
131.08505	1.7
133.10149	9.6
134.04613	5.4
135.11696	19.7
137.09627	15.5
145.04973	11.4
145.08586	3.0
147.08099	1.2
151.07542	1.5
155.10677	16.9
159.02893	10.3
165.02318	4.2
165.16331	2.2
175.14894	10.1
177.05481	2.3
182.04967	34.5
182.71236	1.3
185.08910	1.1
189.04008	1.5
193.15894	36.2
195.17513	1.3
208.02892	44.2
211.14941	1.3
211.16931	35.7
213.03996	2.2
227.19382	1.5
229.10542	2.3
230.11035	2.5
231.05028	9.9
247.11737	3.4
248.12155	8.6
297.07156	1.4
326.07187	1.7
327.08731	27.1
459.12189	2.4
459.17432	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	459.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04486	0.8
53.03941	3.1
55.01882	1.1
55.05514	8.6
57.03432	2.9
59.04992	1.9
65.03942	0.9
67.05508	13.9
67.43748	0.8
69.03079	1.1
69.03433	15.8
69.07062	3.8
71.02125	2.5
71.04995	10.7
79.05498	3.5
79.82328	1.1
81.03427	13.2
81.07064	13.2
83.04987	3.9
83.08630	4.6
85.02908	16.7
85.06554	6.9
87.00830	11.9
87.04458	1.5
91.05495	4.3
93.07047	16.7
95.04990	14.0
95.08040	1.8
95.08614	25.4
97.02895	26.7
97.06525	2.0
99.04462	15.2
99.08098	100.0
101.02415	1.1
101.06049	1.4
105.01871	5.1
105.07060	4.2
107.08604	11.5
109.02875	4.4
109.06533	3.0
109.10164	28.9
111.08087	2.5
111.11688	0.9
113.06010	2.6
113.09618	2.0
119.08601	7.4
121.10152	9.5
123.08062	2.5
123.11717	9.3
125.09641	5.1
127.03918	17.2
133.10139	8.6
134.91353	1.1
135.08089	1.2
135.10687	1.1
135.11700	18.4
135.21336	0.8
137.09627	16.3
145.04968	7.2
147.11635	0.8
149.13292	2.1
151.11150	2.3
155.10683	31.0
165.12772	1.2
165.16441	4.4
175.14850	7.9
181.43480	0.9
184.32066	0.9
184.63542	0.9
193.15892	30.8
201.55132	0.8
207.06252	0.9
211.16940	94.2
212.17278	2.5
231.05054	6.4
283.06021	4.4
289.07397	0.9
423.96631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18016	1.4
53.96012	1.5
55.05508	2.9
67.05498	2.6
69.03431	6.4
69.07069	3.1
69.19325	5.5
69.19749	10.5
70.06569	1.6
71.04987	4.1
73.02912	1.8
79.05462	2.3
81.03433	3.0
81.07065	11.6
85.02908	13.8
87.00827	5.6
91.05473	5.7
93.07040	8.5
94.14977	1.5
95.08609	13.7
97.02917	4.1
99.04456	1.9
99.08100	5.4
99.86096	1.5
105.01860	5.2
105.07041	10.7
107.08612	12.5
109.02887	3.7
109.10136	3.7
111.46843	1.4
113.09634	3.4
119.08585	65.3
121.10166	2.1
123.11736	3.7
127.03911	6.2
129.34175	1.6
133.10136	91.8
135.11696	23.3
145.05026	2.0
147.11681	5.4
159.02901	2.8
175.14828	100.0
183.11830	1.4
193.15887	21.7
211.16853	9.4
373.18076	3.3
374.36459	1.5
397.18179	2.3
415.19351	7.1
433.83948	2.0
439.31369	1.5
441.17007	7.4
454.69879	1.7
459.18030	17.8
459.23758	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	459.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.05496	1.6
56.78103	1.6
57.03435	2.5
58.26235	1.6
67.05505	2.1
67.38185	1.4
69.03430	6.6
69.07066	3.6
69.33625	2.7
69.34029	10.7
71.04996	3.7
79.05507	2.8
81.03421	4.1
81.07056	11.4
85.02901	9.3
87.00829	5.0
91.05479	4.7
91.20808	1.4
93.07058	8.4
95.08611	13.7
97.02897	1.4
99.04423	2.7
99.08107	2.7
105.01884	4.1
105.07048	12.2
107.08601	12.6
109.02879	3.6
109.10233	1.7
117.07039	2.0
119.08588	45.3
121.10172	1.9
123.11719	2.7
127.03917	6.9
133.10143	67.6
135.11694	12.3
145.04924	1.8
147.11665	3.2
159.02895	2.6
159.73926	1.7
175.14839	100.0
193.15948	11.1
211.16946	4.7
281.42786	1.5
297.35193	1.5
305.09583	1.8
309.07416	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	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
55.01868	5.0
55.05511	8.1
55.52396	0.6
57.03451	3.9
57.07071	1.6
59.04999	2.0
61.02933	3.1
65.03939	0.7
67.05508	12.2
68.83311	0.5
68.99796	2.6
69.03435	23.2
69.07070	5.6
69.39207	4.0
71.01361	0.9
71.04996	8.3
71.08649	0.5
73.02920	3.0
77.03907	0.8
79.05501	4.6
81.03052	0.3
81.03419	17.7
81.07063	13.1
83.04987	7.2
83.08613	3.6
85.02908	36.6
85.06554	6.7
87.00835	15.2
87.01344	1.1
91.03971	0.7
91.05487	4.7
93.07050	20.2
95.04973	10.1
95.08611	28.8
97.02901	12.0
97.06541	1.4
99.04461	13.1
99.08098	100.0
100.08428	1.2
101.05981	0.8
103.03925	0.6
105.01875	9.9
105.07023	5.1
107.08604	19.4
109.02888	16.9
109.06549	3.5
109.10162	42.4
111.08086	3.0
113.06027	1.6
113.09644	1.4
115.03919	0.6
117.01904	2.5
119.08585	15.0
121.10157	10.5
123.04508	0.8
123.08077	4.1
123.11716	10.0
125.09625	7.3
127.03922	25.4
127.11222	0.6
129.01843	2.4
133.10136	11.0
135.08069	1.0
135.11702	42.1
136.12038	1.0
137.09628	14.9
137.13310	0.7
139.11163	0.9
145.04964	11.7
147.02878	2.0
147.08084	0.5
147.11729	1.2
149.13234	2.9
151.11177	2.6
151.14854	1.9
153.09120	1.6
153.12755	0.7
155.10675	27.1
159.02898	10.0
165.16437	5.6
175.14838	13.8
177.09039	0.6
177.16406	1.0
189.03885	1.3
191.14259	0.7
193.15892	40.9
194.16272	0.6
195.17523	1.0
211.16939	85.5
212.17316	1.7
213.03955	1.1
231.05049	6.2
245.11617	1.0
299.50876	0.6
349.12741	0.5
385.14911	0.9
423.20050	0.6
459.22525	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	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.1
55.01860	4.0
55.05507	6.9
57.03427	9.5
57.07071	3.2
60.04525	9.2
61.02917	4.6
67.05502	11.4
68.99770	3.4
69.03432	53.4
69.07064	13.0
70.06596	83.6
70.18204	2.9
70.37753	3.0
71.04994	10.2
72.08154	5.4
73.02922	4.4
74.02415	3.3
74.35208	2.7
79.05490	10.2
81.03421	51.6
81.07066	20.8
83.04974	4.0
85.02913	59.5
85.06568	4.2
86.09708	20.6
87.00837	20.9
91.05486	21.6
93.07066	23.2
95.04964	4.4
95.08624	29.4
97.02876	16.1
99.04454	18.6
99.08094	6.1
103.05433	3.6
105.01859	14.4
105.07048	20.4
107.04951	3.7
107.08610	23.3
109.02885	46.3
109.06494	5.0
109.10143	18.5
111.08093	3.5
115.03918	3.1
117.80634	2.7
118.06558	14.1
119.04943	8.3
119.08585	54.2
121.06474	3.1
121.10144	8.7
123.04428	4.7
123.08067	3.5
123.11707	9.9
125.09660	3.7
127.03918	100.0
129.01833	3.0
130.08675	5.2
133.10141	86.0
135.06810	4.6
135.11699	28.7
136.07587	20.0
137.05989	30.2
137.09607	9.2
145.04973	13.2
145.10149	4.3
146.06012	29.8
147.11667	5.6
149.13310	4.6
151.11160	3.0
157.09688	16.8
159.02884	5.6
159.11699	2.9
165.05455	5.7
167.78299	2.6
173.55385	2.6
175.14841	79.2
179.07043	5.1
182.08130	8.1
185.09201	5.8
187.05974	3.4
193.15875	35.8
193.84770	3.3
211.13120	4.5
211.16956	13.6
213.02101	3.1
213.04005	11.4
216.28726	3.2
231.05029	16.8
239.16570	4.9
240.10178	3.4
261.08774	8.3
285.07663	8.2
286.10605	7.0
297.16388	3.6
373.18179	5.9
393.18353	4.4
415.19522	21.3
416.18384	5.2
423.20258	3.9
441.17673	4.8
459.17911	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
55.05490	1.0
57.07062	0.9
65.03954	0.7
67.01859	0.8
67.05518	4.3
69.03426	5.4
69.07063	2.9
69.25909	0.6
71.04989	0.9
71.58279	1.2
73.84538	0.6
77.93990	0.7
78.97109	0.7
79.05486	2.9
80.37462	0.7
81.03400	2.0
81.07066	5.1
83.08634	0.9
91.05484	10.1
93.07063	4.6
95.01313	0.9
95.08595	3.2
99.04484	4.8
103.05460	1.5
105.03418	0.8
105.07040	6.3
107.04951	2.0
107.08610	4.2
108.67497	0.6
109.06512	2.4
109.10184	5.4
111.08089	0.8
115.05453	2.7
116.06226	1.1
117.07014	3.8
119.04890	0.9
119.08603	5.7
121.06526	1.0
121.10132	1.9
123.08092	1.3
123.11691	0.9
128.06233	5.9
129.07021	10.5
130.07764	1.0
131.04922	1.4
131.08586	4.6
133.02890	1.1
133.06479	1.7
133.10146	1.9
135.08063	2.0
135.11736	1.2
141.07014	16.2
142.07793	1.6
143.08580	5.4
144.05719	0.9
145.06483	3.0
145.10117	8.4
146.07315	1.3
147.04459	1.0
147.08064	5.2
147.11670	1.7
149.02342	2.2
151.03902	0.9
151.07561	0.9
152.06160	1.9
153.07018	6.6
154.07790	19.5
155.08577	4.5
156.09239	0.9
157.06528	3.4
157.10126	2.8
158.07274	2.8
159.08109	3.5
159.11707	3.0
160.05170	1.1
161.02342	6.7
161.06058	3.6
161.09674	3.9
161.13269	0.8
163.03917	2.4
163.05832	0.7
164.47513	0.7
165.01851	2.7
165.06964	4.2
166.07825	1.1
167.03418	1.8
167.08572	5.4
168.05551	0.9
168.09351	1.3
169.06519	1.9
169.10150	14.8
171.04460	0.7
171.08044	5.0
171.11742	1.8
172.08846	1.1
173.06010	1.3
173.09689	2.0
173.13304	1.7
175.03999	1.7
175.07597	4.0
175.11180	0.9
178.07785	2.9
179.03387	1.1
179.08577	9.4
181.06441	5.0
181.10098	0.9
182.07304	4.9
183.08057	4.2
184.08873	1.2
185.05995	4.4
185.09633	3.4
186.10483	2.2
187.03880	2.5
187.07523	1.8
187.11186	3.1
189.05446	1.2
189.09122	3.6
189.16357	1.0
191.10645	2.3
193.06476	1.2
195.08054	3.6
196.08818	8.5
197.09636	51.9
198.10208	2.2
199.07552	4.9
199.11165	5.1
201.09148	1.5
201.12770	7.5
201.16402	6.6
203.07050	100.0
204.07431	1.7
207.08047	5.0
208.08835	12.7
211.07648	3.3
211.11255	2.0
213.09111	5.2
214.09886	4.4
215.07231	1.2
215.10687	2.6
217.08592	6.5
223.07565	2.7
224.08124	0.7
225.09125	25.4
226.09464	0.9
227.06981	1.3
227.10616	1.2
229.08992	3.7
229.12256	61.9
229.15919	1.8
230.12570	1.2
239.07089	1.5
239.10696	2.3
240.11415	1.0
241.08623	4.2
243.10196	12.8
255.10179	2.0
257.08142	7.1
257.11746	16.2
259.09637	5.7
269.08148	6.2
271.09576	0.9
283.09772	1.2
287.09216	1.3
291.10318	0.7
335.09274	1.0
351.15637	0.9
375.15823	0.8
381.14774	1.4
383.16827	0.9
399.15942	18.4
401.17181	0.7
413.17484	1.4
427.15475	1.4
431.18680	8.2
441.16895	2.8
459.17990	10.2
459.25314	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	459.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61397	1.6
67.05505	3.3
68.19086	1.7
69.07075	2.2
69.64067	10.6
79.05474	2.1
81.07056	4.8
91.05482	5.7
95.01326	7.7
95.04970	5.8
95.08592	2.8
105.07040	3.4
107.08614	2.0
108.41467	1.5
109.06498	2.8
109.10110	3.1
110.03695	9.4
115.05459	2.0
117.07013	2.2
119.04956	2.1
119.08575	2.7
121.06514	3.5
123.04427	7.5
125.02367	3.6
125.05995	19.2
129.07030	2.1
132.05716	3.1
135.04442	1.7
136.05228	2.6
137.02269	1.8
147.08069	3.8
148.05202	2.7
149.02344	3.2
151.03911	4.4
151.07544	19.3
153.05457	4.7
155.07066	2.3
161.02324	9.6
161.05963	4.1
161.13174	1.8
163.03906	4.9
165.05423	2.4
165.09097	5.4
167.03383	2.7
173.06224	1.6
175.03908	3.0
175.07584	2.0
179.07053	19.4
181.04973	100.0
185.06023	3.3
187.04086	2.0
193.04933	3.6
203.07042	94.2
204.37830	1.6
207.06566	13.3
208.07312	1.9
211.07568	2.3
227.07021	6.1
229.08511	2.9
239.07169	2.0
245.08102	39.1
257.08200	7.8
284.06863	7.2
290.06064	1.9
299.09164	10.4
308.06995	2.1
310.07538	13.0
310.57635	5.1
311.56970	8.1
319.08145	17.1
319.58380	6.7
325.14352	5.7
328.08640	11.2
328.58994	2.5
330.58841	2.7
351.08551	1.9
353.13986	11.4
365.13867	22.1
379.11850	2.3
381.13312	17.6
383.14771	3.7
399.14310	4.1
409.12961	2.9
427.13965	4.9
432.87338	1.8
459.26630	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	459.1291
Annotation	Puerarin 6''-acetate
Peak:m/z	Relative Intensity
50.17602	0.5
53.03948	1.0
55.01861	1.9
55.02111	0.5
55.05515	2.6
61.02924	0.7
67.05515	3.0
68.99780	1.1
69.03432	4.0
69.07060	1.3
69.84373	1.8
71.04994	1.1
72.12661	0.4
73.02913	1.0
74.57630	0.4
78.17722	0.4
79.05489	0.9
81.03426	3.0
81.07061	2.5
83.04988	6.0
83.08616	1.4
84.08121	0.5
85.02917	6.5
85.06550	1.1
87.00813	3.1
91.05484	1.0
93.07040	1.8
95.04969	1.1
95.08618	2.4
97.02898	1.8
97.06511	0.9
97.10173	0.6
98.97591	0.6
99.04485	2.2
99.08074	0.6
105.01862	2.1
105.07030	1.4
107.08607	3.2
109.02883	3.8
109.06499	0.5
109.10159	4.6
111.08087	0.6
111.11658	0.5
115.05508	0.6
119.08597	2.5
121.10157	1.4
123.11682	0.8
125.09628	1.4
127.03931	4.9
129.01846	0.9
133.10141	1.6
135.11705	1.4
136.34207	0.4
141.07007	7.2
143.08627	0.5
145.04961	1.8
145.10170	0.4
151.11125	0.7
153.06982	0.7
155.08566	3.3
157.10156	0.6
159.02917	2.0
161.09613	0.7
165.07013	15.0
165.09082	0.8
167.08557	0.9
167.14325	1.1
173.13258	0.5
175.14818	2.1
179.08560	1.0
183.08078	9.1
189.03844	0.5
193.06506	8.6
193.15869	3.6
193.17348	0.5
195.13579	0.6
207.08153	0.5
211.07556	100.0
211.16891	4.0
212.07887	1.5
231.05083	0.7
235.07391	2.1
253.08591	1.2
285.09244	0.5
355.18896	0.5
459.21808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
56.96577	2.7
58.99581	2.7
65.03941	1.0
67.05504	3.8
69.03414	3.3
69.79817	2.3
69.80209	4.2
70.06591	3.3
72.08137	1.4
76.02225	3.3
79.05501	1.8
82.06592	2.6
84.96021	1.3
85.02901	5.8
85.06537	3.3
86.00653	3.8
86.99072	1.7
88.03996	2.6
91.05496	1.4
93.07054	1.7
94.06570	3.8
95.04971	2.0
96.04508	6.6
97.02904	2.7
98.97584	8.2
99.01414	2.2
100.02191	3.0
103.05474	6.0
107.04963	1.7
109.07603	1.7
110.06049	8.0
110.97606	2.7
111.04420	1.2
112.07681	1.0
116.98602	3.6
120.01201	1.5
120.04454	2.2
120.08117	100.0
122.02745	1.6
122.06036	18.8
122.88789	1.0
124.07558	3.9
125.00514	1.3
125.07062	1.9
126.05573	1.1
127.03918	1.6
128.98627	2.0
129.10240	1.1
131.04929	1.8
131.07025	3.3
132.01155	4.9
134.06026	2.0
136.07593	38.2
137.06120	1.4
137.07123	6.2
138.05539	7.9
140.01656	14.3
140.07133	2.5
142.03221	4.7
143.08250	1.1
145.01743	1.1
146.02721	6.4
146.05948	1.1
149.06010	2.2
150.03770	1.9
150.05499	4.1
151.05789	2.4
152.01633	2.6
152.07100	1.6
158.99628	2.2
162.02188	1.7
162.05460	1.6
163.08621	1.3
164.07080	29.5
166.03252	2.7
166.05005	2.0
166.08656	50.2
167.06352	1.2
168.04805	1.6
169.04311	1.2
174.09247	1.1
178.03252	2.0
182.08115	16.5
183.05882	2.1
184.00667	4.6
192.04739	1.2
195.05901	12.8
198.09315	1.1
207.07614	1.8
210.09291	1.2
219.01794	3.0
223.05367	1.3
225.63080	1.1
229.06445	9.5
237.02777	3.2
241.06448	33.2
241.09209	2.2
243.11346	1.5
255.08351	1.1
255.11304	6.8
256.09720	8.4
259.07516	37.9
259.10672	3.5
273.09198	2.0
278.10226	2.1
283.10974	1.2
284.09171	1.1
285.12378	1.9
286.41159	1.1
296.11252	1.4
301.11862	12.4
302.10226	17.9
319.12854	8.5
320.11203	3.9
333.08957	3.0
337.13739	1.8
376.12991	1.2
381.08539	1.6
399.09622	1.4
417.37671	1.0
422.13733	2.8
423.11703	1.5
440.14926	7.7
458.15765	5.9
458.24612	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	458.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	4.5
57.03423	0.8
58.99586	1.2
60.69617	0.7
67.05496	2.0
69.03433	2.5
70.06586	2.7
71.55637	1.0
72.08148	1.4
73.02938	1.0
76.02213	1.2
79.05497	1.3
81.03426	0.8
82.06609	1.0
84.08141	0.9
85.02915	4.6
85.06549	1.8
86.00667	1.7
86.09724	0.9
88.03976	1.0
91.05518	0.8
93.07029	2.2
94.06564	3.0
95.04962	1.4
96.04494	3.3
97.02913	2.2
98.06023	0.8
98.97593	8.2
99.01411	1.0
99.97955	0.8
100.02203	0.9
103.05473	7.7
107.04956	2.5
109.02896	1.0
110.06067	3.4
110.97557	1.5
112.07607	0.8
112.99084	0.8
116.98647	2.6
120.08118	100.0
121.06548	0.7
122.06040	9.9
124.07616	2.3
128.98642	2.7
131.04990	3.4
131.07071	2.4
132.01230	1.7
136.06131	0.7
136.06444	0.9
136.07587	15.7
137.06007	1.3
137.07114	2.2
138.05557	3.6
139.23022	0.9
140.01669	4.6
140.07103	2.0
142.03242	1.3
143.08128	0.8
146.02696	2.1
146.99626	1.4
148.74855	0.7
149.06018	1.7
150.03685	0.9
150.05504	8.7
150.91473	0.7
151.05875	6.7
158.99678	1.7
159.50822	0.7
161.01311	1.0
162.02187	0.9
164.07091	10.3
166.03194	0.8
166.04948	1.4
166.08658	43.4
167.09061	1.0
174.63420	0.7
177.00737	1.2
178.03191	0.8
182.08133	7.0
184.00688	0.8
184.06067	1.0
195.05899	4.4
201.00801	0.9
207.07681	1.3
209.09219	2.2
210.09508	2.5
214.08794	0.9
219.01816	3.7
228.10274	1.1
229.06413	3.5
237.02808	4.9
241.06413	12.9
255.11392	1.9
256.09732	3.2
259.07516	13.0
259.10376	1.3
273.09088	1.1
284.09393	1.0
301.11771	4.5
302.10239	4.4
319.13007	3.3
320.11398	1.1
333.09183	1.6
381.08606	1.7
399.09659	1.7
423.11804	2.4
440.15027	3.4
458.16458	2.4
458.25055	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	457.3679
Annotation	Cornulactic acid
Peak:m/z	Relative Intensity
55.05509	4.6
57.07074	3.9
57.20621	0.9
57.38306	1.0
65.86335	0.9
67.05505	8.7
69.07076	14.1
70.06591	2.4
70.15955	2.3
70.16330	3.2
71.04988	1.0
71.08620	1.5
71.33060	1.0
73.02034	1.0
79.05496	3.8
81.06638	1.8
81.07062	20.6
83.08592	5.1
88.07639	2.1
91.05487	9.4
93.07047	9.0
95.08613	30.5
97.10178	3.7
98.21455	1.2
102.09195	1.2
105.07027	10.1
105.59476	1.1
107.08602	14.3
109.06530	1.7
109.10165	16.8
111.11733	3.1
117.07018	1.4
119.08588	13.8
121.06570	1.3
121.10149	13.8
123.08076	1.8
123.11723	9.0
124.48329	0.9
129.06953	1.6
131.08556	3.4
133.10132	11.2
135.08069	2.1
135.11732	7.4
137.09634	1.3
137.13281	10.3
139.07561	2.2
143.08611	1.9
145.10101	5.3
147.08018	1.2
147.11703	7.5
149.09598	1.6
149.13246	4.2
151.07518	1.8
151.11179	1.1
151.14835	3.3
153.09131	2.4
157.10143	3.8
159.11726	6.1
161.09668	1.9
161.13231	5.1
163.14865	4.4
165.09131	2.4
171.11711	3.5
173.13290	3.3
175.11293	1.5
175.14833	11.2
177.16385	3.7
179.10762	1.5
181.72119	0.9
185.13261	1.3
187.14836	3.7
189.16403	3.0
191.18002	4.7
192.40852	1.0
193.12259	1.2
193.15852	1.2
199.14828	2.2
200.20160	2.6
201.16472	1.5
201.20560	2.8
203.10645	1.1
203.14276	1.8
203.17986	5.6
205.12161	1.2
205.19510	2.7
215.17955	2.0
217.19553	2.9
221.15388	3.7
229.19547	3.5
231.21179	1.5
233.95003	1.1
235.17015	2.2
241.19409	1.3
243.21133	9.6
245.22601	2.9
247.16927	1.4
249.18494	2.2
250.08685	1.3
267.10303	1.5
269.22766	1.8
280.09723	1.3
282.11484	2.0
283.20685	1.1
283.26544	1.6
284.26648	2.4
289.21762	2.0
301.21555	4.8
324.12405	2.8
336.15915	1.9
343.26505	1.1
393.35172	4.0
396.18036	8.9
397.17862	1.3
411.31253	1.9
411.36279	23.9
421.34625	3.0
439.35739	100.0
440.36118	3.4
457.36389	16.7
457.44415	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	457.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97355	0.4
51.41027	0.3
55.05518	0.4
57.07062	0.6
67.05486	1.0
69.07053	1.0
71.56885	0.6
71.62679	0.3
74.81835	0.4
79.91447	0.4
81.07047	1.5
83.08619	0.5
91.05490	4.2
93.07032	1.2
95.08607	2.4
105.07043	2.0
107.08580	1.7
109.10145	1.5
115.00044	0.4
117.07061	0.5
119.08585	1.8
121.06524	0.5
121.10106	2.5
123.11741	0.8
128.06190	0.9
131.04907	1.4
131.08574	2.4
133.10121	1.2
135.11687	0.7
136.74304	0.4
141.07025	0.6
141.53235	0.4
142.07773	1.7
143.08568	4.5
145.10150	2.5
147.08086	0.4
149.02341	0.7
149.13251	0.6
153.06845	0.4
155.08556	3.7
156.09175	0.5
157.10136	4.7
158.07300	2.1
159.08049	1.8
161.02248	0.5
161.05978	0.8
161.09544	0.5
161.13266	0.6
163.14879	0.6
165.07007	0.7
167.03380	0.8
167.31606	0.4
168.05710	0.5
168.33052	0.3
169.10110	0.4
171.04414	0.6
171.11618	1.0
173.09550	0.9
173.13258	0.6
175.03905	3.0
175.07707	0.4
175.14845	1.4
178.07872	0.5
181.10074	0.6
183.08087	2.4
185.05923	0.6
187.03951	0.7
187.07407	0.5
187.14810	0.4
189.09258	0.4
189.16393	0.6
190.06253	0.6
193.10033	0.4
193.15872	1.0
197.13249	1.4
199.14880	2.1
200.20116	0.8
201.09100	1.4
201.16412	1.1
203.03395	0.8
203.07042	6.3
211.07547	27.1
213.05505	0.6
213.16336	0.5
214.06259	2.9
215.07117	0.5
229.08607	35.3
230.08902	0.5
239.07036	11.9
242.05754	4.1
243.06540	1.2
245.08160	0.5
257.08102	100.0
258.08447	1.6
267.10266	2.6
271.09805	0.5
284.26434	0.5
421.34937	2.0
439.22678	0.7
439.36078	2.6
445.77942	0.5
456.44205	0.8
457.23752	57.7
457.34793	22.7
457.45010	1.0
458.24103	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05492	1.8
57.07055	1.7
67.05486	2.3
69.07066	3.9
69.61521	1.0
69.61936	2.9
70.06590	0.7
71.08614	0.8
79.05483	2.4
81.07060	7.4
83.08629	1.3
87.85920	0.5
88.07623	1.5
91.05494	6.2
93.07049	4.5
95.04935	1.1
95.08614	7.8
97.06532	0.6
102.09180	0.6
105.07040	5.5
107.08611	4.8
107.32283	0.6
109.06488	1.6
109.10166	5.3
111.08085	0.7
111.11703	0.6
115.04046	0.5
117.07013	1.1
119.08586	6.8
121.06481	1.8
121.10141	4.2
123.08020	0.7
123.11700	2.0
128.06235	0.7
129.06995	1.3
131.04922	2.0
131.08563	3.9
133.10150	3.3
135.08043	0.8
135.11687	3.7
137.09616	1.2
137.13260	0.8
141.06976	0.8
142.07774	2.5
143.08556	6.5
145.10118	5.0
147.08080	0.6
147.11665	2.6
149.09621	0.6
149.13240	1.5
153.08965	0.6
155.08560	7.1
156.09297	0.6
157.10146	8.5
158.07268	2.6
159.04439	0.9
159.08096	2.6
159.11693	2.5
161.05968	0.8
161.09636	0.7
161.13199	1.1
163.14777	0.9
167.03421	0.6
169.10089	1.0
171.04427	0.8
171.11722	2.3
173.09621	0.7
173.13245	1.7
175.03911	5.0
175.14738	1.7
181.10170	0.8
183.08072	2.9
185.06009	1.6
185.13234	0.9
186.06793	0.6
187.03857	0.6
187.14804	1.5
189.05482	0.7
189.16440	1.7
191.17934	1.0
192.37251	0.6
193.10265	0.6
197.13231	1.5
199.14816	8.9
200.20071	1.9
201.09123	2.3
201.16417	2.5
201.20407	1.1
203.07083	5.4
203.17932	1.4
207.17493	1.3
211.07556	31.2
213.16312	1.0
214.06279	3.9
215.17941	0.9
217.15921	2.8
227.17961	0.7
229.08615	40.8
230.08923	0.6
231.17480	1.0
239.07039	16.6
242.05768	5.1
257.08105	100.0
258.08389	1.5
259.20593	0.6
263.14392	0.6
267.10172	3.2
271.09747	0.9
283.26428	2.1
284.26712	1.2
345.27774	0.8
409.34589	1.2
411.23022	1.0
421.34525	2.7
439.22601	1.7
439.35883	7.0
456.43961	1.7
457.23734	59.7
457.36642	9.7
457.44345	4.0
458.24103	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	457.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23595	1.2
55.01891	2.3
55.05517	2.2
56.96556	3.6
57.03431	3.7
59.05005	2.5
61.02913	2.8
64.68873	1.3
67.05512	32.3
69.03436	7.3
69.35684	1.4
70.06612	7.1
70.94667	3.6
70.95007	1.4
71.05000	100.0
72.08144	5.0
73.02935	6.5
79.05490	2.1
81.03413	3.5
81.07056	4.7
83.01312	1.3
83.04977	1.5
83.08617	3.2
83.78290	1.2
84.08152	2.7
85.02919	14.9
85.06548	3.4
86.09712	1.5
91.05487	2.1
94.06578	2.3
95.04932	1.3
97.02901	10.6
98.97577	5.2
99.04459	2.2
109.02861	2.2
109.06539	1.8
109.10165	29.9
110.07169	1.8
110.97608	1.8
115.03923	2.4
116.07113	2.4
116.98637	2.3
119.04949	2.1
121.02872	5.3
122.06041	2.9
124.07574	2.0
127.03928	4.2
127.11209	76.5
133.05046	1.8
135.08080	2.1
136.07581	3.8
137.05983	1.9
145.12251	43.5
147.04416	2.0
150.05547	3.1
163.03926	1.8
163.13313	69.2
176.03506	3.6
177.05396	1.6
191.14233	2.4
209.09077	3.6
209.15355	2.1
217.33691	1.5
219.01913	1.7
232.13336	1.9
237.02798	2.5
237.85371	1.5
252.10283	2.7
253.58023	3.5
259.14410	3.6
260.12927	4.8
295.06033	3.0
295.16681	7.8
307.06223	2.7
315.13504	2.7
325.07068	10.9
325.18472	2.9
337.07227	3.6
351.08682	2.5
379.08005	5.8
403.08105	1.9
421.08810	2.1
439.11465	7.5
457.11563	13.0
457.17087	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01858	4.4
55.05509	8.3
57.03440	5.7
57.07059	3.8
59.05003	2.9
65.03945	3.2
66.75370	2.8
66.85269	2.9
67.05495	20.0
69.03429	16.8
69.07077	16.7
71.04986	9.3
71.58422	2.8
73.02894	3.0
79.05494	15.1
79.76221	3.1
81.03419	12.3
81.07059	22.6
83.04970	5.0
83.08614	5.5
85.02901	24.6
85.06541	4.9
87.00826	9.0
91.05476	19.0
93.07063	16.2
95.04958	8.6
95.08632	24.1
97.02897	16.9
97.06528	7.8
98.97619	3.2
99.04466	7.5
105.01862	6.2
105.07045	31.8
107.04964	3.6
107.08589	23.9
109.02894	11.1
109.06525	82.6
109.10155	38.0
111.08083	7.5
115.64823	3.1
117.07016	5.7
119.08584	15.6
121.06489	4.8
121.10143	14.1
123.08134	16.7
123.11727	4.4
125.09663	4.1
127.03934	16.1
127.04791	3.3
129.07063	4.1
131.08592	29.2
132.92493	3.0
133.10135	95.5
135.08052	41.9
135.11685	6.8
137.09608	16.3
143.08575	7.3
145.04967	7.4
145.10155	16.7
147.11667	10.8
149.09602	8.3
149.13258	7.1
151.07574	8.6
157.10103	5.7
158.10870	4.2
159.02859	7.5
159.11714	7.4
161.09622	2.9
161.13268	4.6
163.11192	3.9
163.14885	5.5
165.09125	96.4
167.10545	3.2
171.11725	4.6
173.09645	3.2
173.13272	50.9
175.11246	7.5
175.14803	3.0
176.11562	7.9
177.05484	6.9
191.14314	100.0
199.14658	3.4
201.16452	3.4
205.04980	10.3
205.12250	9.0
207.06490	5.9
209.15378	30.8
231.04997	3.1
288.74362	2.9
439.21292	4.9
442.17865	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	457.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.8
59.04988	3.8
67.05509	25.8
69.03425	9.9
70.95982	4.1
71.04998	100.0
72.05338	1.9
72.08159	3.3
79.05443	2.1
81.07042	1.8
83.08638	2.1
85.02900	11.2
85.06535	3.1
85.07022	1.6
87.04481	2.9
95.04984	2.0
97.02887	7.1
98.97574	3.1
106.96301	1.6
109.02908	2.1
109.10168	28.1
115.03942	4.7
122.05995	2.4
127.03956	2.5
127.11198	76.1
133.04976	1.7
142.18431	1.6
145.12250	40.0
148.77629	1.6
163.03889	4.1
163.13309	74.1
187.55449	1.7
203.05301	1.7
219.01656	2.2
230.00050	1.6
247.08662	1.9
286.20746	1.7
325.18677	3.5
457.12271	3.5
457.17441	2.3
458.16632	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06903	1.9
52.44562	1.6
55.05494	2.5
64.31338	1.7
69.03429	5.9
70.69889	4.5
70.70227	1.8
79.05495	5.3
81.07056	8.4
85.02925	4.0
87.00833	3.0
91.05499	5.3
93.07061	3.5
95.08620	2.3
97.02891	1.6
97.10078	1.8
103.33191	1.6
105.01896	2.2
105.07040	6.6
107.08598	16.1
107.37411	1.7
109.06525	2.1
109.10134	6.0
119.08585	3.7
121.10159	8.4
122.07290	4.9
127.03922	4.0
131.08594	5.8
132.04555	1.8
133.10138	100.0
135.08052	7.8
137.09622	46.1
145.10106	2.6
149.13278	8.0
158.10999	1.9
162.79036	1.9
163.96606	1.8
165.12769	2.3
167.41406	2.1
173.13269	11.1
191.14326	47.1
209.15335	10.5
234.54474	2.0
236.12361	1.8
341.88278	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	18.5
55.01872	32.2
55.05514	42.0
57.03444	15.4
61.02911	9.3
63.01339	3.0
67.05510	15.6
68.57538	2.8
68.99785	12.5
69.03079	4.0
69.03435	68.4
69.07071	15.5
70.90493	5.9
71.04981	12.0
73.02935	15.6
79.05493	18.6
81.02973	5.5
81.03422	63.6
81.07053	23.8
81.67107	2.9
82.52018	3.0
83.04987	61.1
83.08629	43.3
85.01263	3.3
85.02911	100.0
85.03428	5.9
85.06536	7.8
87.00833	48.6
87.04461	6.6
91.05491	17.4
93.07047	27.5
95.04971	25.0
95.08607	25.0
97.02903	40.1
97.06543	28.5
97.10172	4.8
99.04449	23.1
103.03951	27.1
105.01896	18.2
105.07016	22.0
107.04955	8.2
107.08599	33.0
109.02204	5.5
109.02883	49.9
109.06535	17.4
109.10191	19.0
111.04409	4.0
111.08087	16.9
112.84956	3.4
113.05955	3.7
115.03983	3.5
117.01847	6.2
117.07008	3.4
119.08600	16.6
121.06522	26.2
121.10166	21.5
123.04445	9.5
123.08068	25.4
123.11718	6.0
125.05990	30.6
125.09626	21.1
127.03924	59.1
127.11174	5.7
129.01814	15.4
131.08585	11.0
133.10136	20.3
135.08063	9.4
135.11700	6.6
137.05965	8.9
137.09645	4.5
139.07530	8.5
139.11182	52.8
143.08543	4.2
145.04942	12.6
145.06496	4.0
145.10126	7.9
147.02852	7.3
147.04425	5.2
147.08041	9.8
147.11679	7.3
149.06007	25.8
149.09637	31.9
149.13216	6.1
151.11186	21.8
153.09084	10.5
155.10670	6.1
159.02908	22.6
159.11774	4.0
161.09607	3.0
161.13248	5.7
163.07413	5.0
163.11194	9.8
163.14888	5.4
167.07082	16.4
167.14276	13.4
169.12247	8.9
171.02968	7.2
173.13243	17.2
175.11113	3.9
181.12248	84.4
185.08070	4.3
187.11151	5.0
189.03934	41.9
191.10695	4.6
191.14334	33.0
195.10162	13.2
207.13722	4.6
209.08063	8.5
209.11510	7.3
209.15393	34.3
213.03868	4.3
216.94600	3.0
221.15358	4.6
231.05037	7.3
233.15379	16.4
253.07022	3.5
257.15344	5.3
259.13196	4.8
263.16461	7.7
271.08078	4.5
275.16370	7.8
288.40457	2.9
317.17529	5.6
335.18356	3.3
347.68607	4.1
371.16818	7.2
381.15347	4.0
413.17978	24.6
415.19156	4.0
421.18582	8.1
439.20108	4.0
457.07208	3.6
457.15854	48.6
457.22501	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95959	2.8
53.03943	6.9
55.01874	6.6
55.05501	4.2
57.03436	8.7
61.02910	4.4
64.50774	3.1
65.03948	3.6
65.11047	3.1
67.05503	6.8
67.06904	3.1
69.03435	23.9
69.07058	3.5
70.83244	9.1
71.05000	8.1
73.02898	3.5
74.92530	3.1
79.05491	14.9
81.03431	20.5
81.07063	35.5
83.04984	6.7
83.08609	5.3
85.02917	30.1
85.06539	6.0
85.57979	2.9
86.09718	3.1
87.00835	12.8
91.05486	24.5
91.14764	2.9
93.07024	15.7
95.04973	11.5
95.08613	13.6
97.02910	15.3
97.06557	14.2
99.04469	10.0
105.01903	6.4
105.07032	37.2
107.08615	14.2
109.02879	11.8
109.06529	59.6
109.10165	10.4
111.08085	5.9
115.03970	2.8
115.68443	2.9
117.01849	3.7
117.07010	3.8
119.04937	9.4
119.08588	12.3
121.02892	3.6
121.10179	15.7
122.11782	2.9
123.08053	4.5
123.11721	4.3
127.03918	28.9
131.08580	27.1
133.10141	100.0
135.08078	11.8
135.11732	4.1
143.08568	5.6
145.04984	6.8
145.10141	17.1
145.12260	9.4
146.12636	5.7
147.04417	53.8
147.11713	11.2
149.09634	55.5
149.13261	10.9
151.11238	5.1
153.09128	10.6
158.10861	6.7
159.02916	7.8
163.14838	3.7
167.10722	3.3
167.14403	4.3
173.13266	82.1
174.13564	3.1
185.44525	2.9
191.14319	87.0
194.75153	3.3
209.15419	26.6
216.48895	2.7
231.05014	4.2
256.79327	3.0
257.18576	3.1
307.06036	4.0
325.07135	11.7
337.07211	6.1
339.81046	3.0
379.08002	3.9
413.17801	9.9
421.08908	6.1
439.10428	5.0
457.11362	6.5
457.16971	21.9
457.24017	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01854	3.2
55.05504	5.6
57.07074	3.1
59.72908	1.6
67.05491	3.7
69.03075	2.9
69.03435	49.8
69.07068	7.6
69.25194	17.7
75.81171	1.7
79.05493	6.0
81.03431	8.2
81.07043	8.4
83.04974	3.9
83.08610	1.8
84.28251	1.6
85.02905	17.7
85.06569	2.6
87.00828	7.4
91.05470	3.9
93.07050	8.0
95.04973	1.9
95.08622	12.5
97.02911	10.0
97.06586	3.0
97.10168	4.8
99.04470	2.4
105.01868	6.3
105.07025	6.3
107.08585	15.7
109.02874	5.6
109.06499	5.4
109.10155	3.3
111.08079	4.8
119.08585	4.6
121.06541	2.5
121.10159	10.5
123.08101	4.6
123.11713	7.5
125.09640	18.5
126.87308	1.6
127.03934	12.5
131.08592	6.6
132.70940	2.1
133.10118	8.5
135.08060	13.7
135.11685	8.7
145.04979	4.3
145.10127	5.5
147.11684	6.7
149.09599	11.2
149.13235	5.6
151.11258	2.3
153.09126	7.5
157.10208	1.9
158.10913	4.0
159.02977	2.6
163.11224	4.1
163.14819	4.7
165.12772	4.3
170.09808	1.7
173.13269	19.0
191.14326	100.0
192.14677	2.0
209.15370	84.6
231.04913	2.3
237.74255	1.9
289.02396	2.5
289.05353	34.9
295.08890	5.0
309.03888	1.7
367.50870	1.9
457.16089	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01875	0.5
55.05520	0.6
57.03443	0.5
66.66225	0.4
69.03439	2.2
69.07064	0.5
70.06594	0.6
70.71323	0.5
70.71661	0.8
79.05495	5.2
81.03417	1.0
81.07062	3.5
84.76456	0.4
85.02904	1.7
86.09711	0.9
87.00840	1.1
91.05481	3.0
93.03413	0.5
93.07032	4.8
95.04979	0.5
95.08615	1.0
97.02902	0.9
103.05473	1.1
105.01862	0.4
105.07037	12.4
107.04931	2.8
107.08569	0.7
107.74371	0.4
109.02876	1.2
109.06528	4.1
109.10130	0.6
119.06012	0.5
119.08579	2.6
121.02866	2.4
121.06512	3.3
121.10149	15.9
123.08073	1.7
123.11720	2.5
127.03922	1.5
131.08549	0.8
133.07620	1.0
133.10144	0.7
145.02890	0.6
145.04994	0.6
149.09628	100.0
150.09958	1.6
151.11205	4.5
156.83575	0.4
167.10678	1.3
173.13284	0.7
177.05290	0.5
190.02760	0.5
191.14317	14.5
193.15843	0.5
207.02997	0.6
209.15298	1.9
268.07272	0.5
279.06711	0.6
295.06033	2.9
297.07407	0.6
307.05975	2.0
308.06766	2.0
309.07803	0.5
313.06894	0.7
321.07520	1.0
322.08435	1.0
323.09064	1.1
325.07062	11.2
337.07037	3.0
351.08612	4.3
365.10153	1.4
375.08551	0.6
379.08170	7.6
391.08167	1.1
403.08066	2.0
409.09091	1.2
415.16037	0.5
421.09079	2.7
439.10406	2.3
457.11530	3.0
457.17020	1.3
457.24615	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
54.52501	1.2
55.01877	2.0
57.03444	1.6
67.05519	3.2
69.03427	14.2
69.07081	2.9
69.47394	9.4
71.04991	2.6
73.02901	1.9
79.05500	2.7
81.03414	10.4
81.07062	5.4
83.04996	2.5
85.02906	17.0
85.03371	2.2
85.06585	2.0
87.00853	8.0
91.05479	4.1
93.07062	3.8
95.04974	3.6
95.08615	4.6
97.02895	5.6
97.06514	1.5
99.04430	2.4
105.01860	3.7
105.07044	13.9
107.08611	10.1
109.02906	7.7
109.06528	4.0
109.10178	4.8
110.21028	1.4
110.69776	1.3
119.08593	4.9
121.10136	13.8
122.07281	1.6
123.08078	3.7
123.11729	2.1
127.03933	11.7
131.08592	10.8
133.10141	38.6
135.08075	4.3
135.11649	1.4
135.59938	1.5
137.09625	17.9
143.08553	1.4
145.04997	3.3
145.10118	3.9
147.11696	3.8
149.09650	4.7
149.13235	7.7
151.11183	18.1
159.02885	5.1
163.14806	2.1
165.12764	33.1
173.13293	26.2
191.14325	21.7
193.15898	3.1
193.70792	1.2
209.15376	100.0
210.15784	1.7
231.04918	1.3
350.23889	1.4
365.53415	1.5
385.61600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67170	2.1
53.03929	3.4
54.88131	1.8
55.01871	4.4
55.05506	8.5
57.03427	2.9
61.02913	2.1
65.32935	2.0
67.05512	10.9
69.03439	22.2
69.07064	13.7
70.68708	5.7
71.04982	5.4
71.96143	1.9
79.05489	7.8
81.03431	9.5
81.07066	14.5
83.04986	14.2
83.08615	3.3
85.02905	19.0
85.06558	2.8
86.09690	3.3
87.00815	10.7
89.77208	1.8
91.05466	8.5
93.07059	14.6
95.04961	6.9
95.08611	30.0
97.02883	7.2
97.06515	6.7
97.10159	1.9
99.04433	4.6
99.08096	5.6
99.31570	2.0
100.33398	2.3
104.42827	1.9
105.01853	5.5
105.07033	15.3
107.08602	40.2
109.02850	8.1
109.06526	20.9
109.10165	20.7
117.06978	2.7
119.08588	8.6
121.06487	5.4
121.10146	40.9
122.07230	2.5
123.08073	7.7
123.11703	7.7
125.09623	15.0
126.79178	2.1
127.03895	8.4
131.08571	15.2
133.10132	48.9
135.08055	20.0
135.11699	7.0
137.09627	8.9
139.11192	8.9
145.04938	2.3
145.10112	3.4
147.11725	13.0
149.09665	13.8
149.13254	20.4
151.11192	78.3
153.09094	2.7
157.10165	2.1
158.10951	4.2
163.14812	17.9
165.12764	6.6
171.11642	2.1
173.13271	39.1
181.12251	2.8
184.71844	2.2
191.14311	100.0
207.06558	5.3
209.15387	78.3
231.05325	1.9
428.86185	2.1
457.14886	4.5
457.24670	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.8
55.01864	4.8
55.05515	12.0
56.71121	1.6
57.03425	5.1
57.07069	2.6
61.02916	6.0
64.53294	1.7
65.03902	1.9
67.05515	8.9
68.99780	8.2
69.03086	2.3
69.03433	35.0
69.07053	8.0
70.06577	5.9
70.50645	6.1
71.04995	10.1
72.08148	3.6
73.02899	2.8
79.05489	17.5
81.03423	43.6
81.06578	2.9
81.07062	55.0
83.04984	20.9
83.08612	7.2
85.02432	3.2
85.02911	52.3
85.06535	4.2
86.09688	3.7
87.00823	18.1
91.05466	6.5
93.07045	13.6
95.04971	10.1
95.08615	10.0
97.02907	19.4
97.06516	5.8
97.10175	5.1
98.20747	2.2
99.04466	16.7
103.03929	2.7
105.01859	5.9
105.07026	10.6
107.04939	2.1
107.08599	18.2
109.02888	47.0
109.05789	3.8
109.06530	69.3
109.10162	25.1
111.04471	2.1
111.08081	4.2
113.06087	2.0
116.07111	2.1
119.08582	8.6
121.02857	6.1
121.06516	4.4
121.10157	18.9
123.08074	6.2
123.11693	7.7
125.05998	2.6
125.09610	7.1
127.03923	100.0
127.11216	2.1
129.01855	13.1
131.08554	5.4
133.10146	13.3
135.08057	12.1
135.11650	3.0
139.11177	3.9
142.07765	2.3
145.04935	9.5
145.10086	4.3
147.02887	7.3
147.11684	4.6
149.09659	8.6
149.13269	9.1
151.07553	3.0
151.11160	5.5
153.09103	6.2
159.02882	5.3
163.14781	8.1
165.09102	1.9
167.14330	10.2
169.04945	7.2
173.13254	12.7
175.11287	1.7
179.03493	2.0
180.19714	1.9
181.12239	4.0
187.05983	10.0
189.01866	2.7
189.04050	2.6
191.14313	36.9
195.02885	3.3
209.04448	4.7
209.15376	34.9
213.03906	9.4
215.13927	1.9
230.57790	2.0
231.05023	13.2
245.15530	1.7
268.07208	2.6
273.06012	5.7
291.07062	6.6
294.05054	3.0
295.06122	6.1
299.16556	2.1
307.06015	7.5
308.06860	4.4
321.07584	4.0
322.08307	3.6
325.07172	22.3
325.10626	3.7
337.07028	8.0
347.09091	2.1
351.08664	5.9
365.10321	4.0
371.20612	2.3
379.08035	16.6
391.08005	4.4
403.08011	5.4
409.08981	5.3
421.09180	3.9
421.18384	5.7
439.10184	6.5
439.15466	5.4
439.20340	4.5
439.25366	2.0
457.11203	14.3
457.16614	9.5
457.21182	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	457.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
55.05501	1.6
56.96556	1.0
59.26582	0.8
67.05489	3.1
69.03422	1.3
69.07062	2.1
71.58437	0.8
79.05492	2.5
81.07052	4.7
83.08585	0.9
85.02907	1.0
91.05512	3.5
93.07025	2.4
95.04951	0.7
95.08595	3.2
105.07026	3.2
107.08616	3.7
109.02876	2.8
109.06564	1.3
109.10150	5.9
111.08075	0.8
117.06977	1.0
119.08595	2.4
121.06519	1.0
121.10126	1.5
123.04435	0.7
123.08050	1.3
123.11680	0.9
124.05247	0.8
125.05975	1.0
129.06973	0.7
131.08575	1.2
131.66791	0.7
133.10143	1.6
135.04417	2.4
137.02353	1.1
137.09607	1.1
139.07585	2.6
143.08549	0.8
145.06490	0.9
145.10097	1.9
147.08052	1.1
147.11740	1.4
149.09636	1.2
149.13275	0.9
151.03899	1.4
152.04723	0.9
159.11771	0.8
161.02437	0.8
161.06065	1.2
163.03917	16.7
164.04637	1.9
165.01831	1.8
165.09094	6.2
167.03435	3.8
167.06990	3.4
173.06003	0.8
173.13274	1.1
175.07574	1.3
177.05478	1.6
177.09117	0.6
179.03410	1.3
181.05017	1.1
185.04445	0.8
187.07553	1.0
195.06538	15.0
195.08200	1.4
203.07053	3.2
205.04979	2.5
207.06561	4.1
223.05907	3.5
235.07579	1.6
248.08241	1.4
249.09412	1.0
253.08696	1.6
255.01990	0.9
261.09122	0.9
265.08755	0.9
267.06564	1.5
276.07831	1.4
277.08643	2.0
278.05853	0.9
279.06476	1.2
280.07217	1.2
287.07001	1.5
291.06683	1.0
291.10120	1.6
293.08182	2.9
295.09958	0.9
304.07309	6.6
305.08105	2.7
306.05276	0.8
307.06000	1.2
307.09473	1.7
308.06808	1.7
319.06189	1.4
319.09634	10.3
320.10370	1.5
321.04141	1.4
321.07602	9.4
321.11060	1.8
323.09143	2.1
333.07617	2.0
334.04828	0.9
335.09262	1.1
336.06165	1.7
336.09985	2.5
337.10703	10.2
347.09427	1.5
348.09793	1.4
349.06955	2.1
349.10809	2.9
351.08621	45.1
351.12384	10.3
352.08951	1.1
363.12198	0.9
365.10315	4.2
366.11053	3.7
379.11807	27.5
379.16690	1.5
380.12381	1.5
381.13345	100.0
382.13663	2.3
407.10974	1.1
411.14413	30.5
412.14767	1.0
421.19943	0.9
425.12268	3.0
439.13669	0.8
457.09192	0.9
457.15012	8.7
457.29584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
60.01678	1.8
67.05516	2.3
69.07056	5.0
69.59248	1.6
69.97083	4.5
79.05506	2.0
81.03374	1.6
81.07045	4.1
91.05485	46.3
93.07068	2.0
95.08624	2.4
98.20834	3.5
105.07011	2.2
107.08591	4.4
109.10146	2.7
114.19827	1.7
119.08612	2.1
123.11752	2.2
149.02296	2.1
149.61977	1.9
163.03873	1.7
165.01799	2.8
175.03926	15.1
179.08557	4.5
193.04916	3.3
204.07362	1.9
205.04918	2.4
207.08195	2.3
213.05273	7.8
217.08093	2.0
225.09102	6.5
235.07532	7.1
251.05333	2.7
253.08621	100.0
271.09714	5.4
304.06903	2.1
317.09973	5.7
365.13828	2.3
375.19620	33.4
393.20621	71.3
411.14514	2.9
457.14731	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	456.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50203	0.6
53.03949	2.5
55.01871	1.1
55.05514	6.3
56.05029	1.3
56.96569	4.4
57.03444	4.8
58.06599	1.5
59.04989	1.4
61.02905	1.6
67.05508	0.5
69.03439	9.1
69.07076	0.6
70.06593	3.3
71.01352	0.6
71.05001	6.9
71.55298	0.9
72.04520	1.2
72.08160	2.0
73.02936	2.8
73.06563	0.6
79.05502	1.0
81.03422	5.2
82.04173	0.5
82.06580	2.4
83.04988	12.3
84.08152	10.1
84.96063	0.8
85.02914	29.5
85.06551	6.0
85.08934	4.5
86.06078	0.5
86.09705	1.5
87.04475	2.1
89.06033	0.8
91.05492	0.5
95.04984	0.7
96.08131	3.1
97.02901	7.1
98.09703	11.3
98.97592	10.0
99.04459	5.3
100.07613	1.8
100.11275	1.2
101.06029	11.8
102.05520	0.8
102.09186	12.3
108.08115	2.5
109.02893	2.5
110.97569	1.8
111.04465	1.4
112.07619	0.7
112.99123	0.9
113.06036	2.6
115.07571	1.3
116.10736	5.5
116.98613	4.1
117.05520	0.7
121.02893	1.0
124.07617	0.7
125.06010	0.8
126.09164	21.4
127.03935	4.4
128.10724	6.7
128.98642	2.4
129.05496	0.8
130.08694	1.0
131.00131	1.0
131.07057	3.1
134.99599	1.3
136.05197	0.6
137.05968	1.3
138.05499	0.9
142.08685	0.5
143.00189	0.8
144.10205	17.5
144.11349	1.0
145.04997	1.8
145.07640	0.6
147.04405	0.8
149.01289	0.6
150.05518	1.6
156.03403	0.7
158.11774	14.6
158.12996	1.1
158.99693	3.0
160.13383	0.9
161.01230	0.9
167.50259	0.5
168.03362	0.7
170.99704	1.2
171.37831	0.5
174.04396	1.2
174.11284	3.9
176.12862	4.8
177.00729	1.6
182.99767	0.6
185.01158	1.1
186.04416	1.6
201.00624	0.9
204.05458	0.9
206.13867	0.9
219.01692	2.9
220.05978	0.7
227.06700	0.8
228.12302	3.3
237.02791	4.4
238.03233	0.7
246.13452	1.9
288.14395	7.0
288.92426	0.6
291.07547	0.7
294.19150	0.7
303.07550	0.6
309.08566	1.3
318.15482	3.3
320.17032	9.6
327.05457	0.9
335.12613	1.2
350.18106	0.8
369.58191	0.6
382.20734	0.8
390.98727	0.6
392.07800	0.7
396.08282	1.5
414.07700	0.5
424.21780	6.0
456.13724	2.7
456.24426	100.0
457.24637	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	456.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21649	0.6
50.64082	0.6
53.03942	1.6
55.01875	1.4
55.05519	1.6
56.89676	0.6
57.03439	2.1
57.07077	14.2
59.05007	100.0
60.05326	0.7
61.02938	0.9
62.65550	0.6
67.05499	0.8
68.99804	0.8
69.03436	7.7
69.07088	0.8
71.05004	1.0
71.56305	0.8
73.02931	1.8
79.05494	1.1
81.03428	6.9
81.07092	1.3
82.06618	1.2
83.04936	0.8
85.02913	16.8
87.00837	8.3
87.04477	0.7
91.05495	1.3
93.07061	1.4
95.08635	1.8
97.02892	6.1
97.06570	1.1
97.10212	0.7
98.97619	0.9
99.04462	3.0
100.07619	1.8
100.98418	0.6
105.01867	5.7
105.07049	0.8
107.08624	1.4
109.02892	5.4
115.11223	28.8
117.01841	0.8
117.09172	1.5
119.08597	0.9
121.10103	0.6
127.03929	10.2
127.04794	0.8
129.01892	0.9
131.08652	0.7
133.10188	1.0
138.09224	0.8
145.04970	3.1
146.08195	2.0
149.09656	0.8
159.02982	2.7
165.09227	1.3
173.15384	6.3
176.10832	0.8
191.14699	1.5
191.16438	47.6
231.05157	1.9
232.17136	1.4
236.04863	0.6
250.18187	2.5
259.09918	0.7
294.17062	4.0
333.19150	0.6
456.20798	0.9
457.20483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
54.42200	1.1
55.01848	1.1
55.05502	2.7
57.03436	8.2
59.05000	1.3
60.58707	1.0
65.19988	1.0
67.05511	8.9
69.03432	17.2
69.07074	5.4
69.92306	5.3
70.06600	3.5
71.04980	4.8
72.08152	1.6
73.02932	6.4
74.44910	1.1
81.03418	2.6
81.07068	2.4
83.08625	10.0
85.02909	15.7
86.09700	4.2
87.04486	7.6
91.05503	1.8
97.02905	12.4
98.20834	2.0
107.08557	1.5
109.02882	1.3
109.10161	63.2
110.07136	1.5
115.03955	12.7
119.07359	2.0
119.08528	1.2
121.02854	1.9
127.03959	5.7
127.11199	46.4
131.08632	1.3
133.04959	11.9
133.10019	1.4
134.06001	1.7
145.04956	3.0
145.12245	100.0
148.07545	1.3
149.09657	1.8
150.07617	3.1
191.14314	2.4
261.09961	1.3
261.59970	1.5
294.05228	2.1
307.06055	3.3
308.06683	1.4
315.13467	2.2
325.07004	2.2
337.07126	4.1
343.19611	1.5
379.08029	2.1
391.08185	1.2
394.34213	1.0
413.17511	1.9
439.10516	2.4
457.11328	5.6
457.16571	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	456.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47793	0.9
53.03935	1.9
55.01856	1.3
55.05499	2.5
57.03431	1.7
57.06822	1.1
57.07080	14.0
59.05004	100.0
60.05326	1.0
68.99765	1.3
69.03426	8.0
69.07063	2.0
71.04993	1.0
71.58494	2.2
71.81350	0.8
73.02914	1.5
73.22947	0.9
73.47468	0.9
79.05482	1.3
81.03400	5.8
81.07051	3.4
83.04943	1.0
83.39956	0.9
85.02415	1.5
85.02906	18.1
87.00842	7.4
91.05484	1.7
92.15826	1.0
93.07047	1.3
95.08598	1.5
97.02904	6.7
99.04459	2.3
100.07607	1.6
101.09659	1.4
105.01881	6.3
105.07040	3.2
105.66447	0.9
107.08588	2.1
109.02885	4.7
109.06505	1.4
110.10520	1.0
115.11217	30.5
117.09147	1.8
119.08589	1.3
121.10159	1.9
127.03946	7.4
131.08583	1.1
133.10097	1.4
135.08141	1.1
145.04959	3.8
146.08115	1.6
159.02989	2.4
165.09145	2.2
173.13274	1.6
173.15335	5.6
175.64597	1.0
178.12123	1.1
191.14688	1.7
191.16429	50.9
209.15292	1.2
231.05022	1.5
250.18071	1.2
254.80278	1.0
285.55499	1.0
294.16986	2.2
297.56680	0.9
414.89532	1.1
456.20389	1.8
457.20535	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
54.42200	1.1
55.01848	1.1
55.05502	2.7
57.03436	8.2
59.05000	1.3
60.58707	1.0
65.19988	1.0
67.05511	8.9
69.03432	17.2
69.07074	5.4
69.92306	5.3
70.06600	3.5
71.04980	4.8
72.08152	1.6
73.02932	6.4
74.44910	1.1
81.03418	2.6
81.07068	2.4
83.08625	10.0
85.02909	15.7
86.09700	4.2
87.04486	7.6
91.05503	1.8
97.02905	12.4
98.20834	2.0
107.08557	1.5
109.02882	1.3
109.10161	63.2
110.07136	1.5
115.03955	12.7
119.07359	2.0
119.08528	1.2
121.02854	1.9
127.03959	5.7
127.11199	46.4
131.08632	1.3
133.04959	11.9
133.10019	1.4
134.06001	1.7
145.04956	3.0
145.12245	100.0
148.07545	1.3
149.09657	1.8
150.07617	3.1
191.14314	2.4
261.09961	1.3
261.59970	1.5
294.05228	2.1
307.06055	3.3
308.06683	1.4
315.13467	2.2
325.07004	2.2
337.07126	4.1
343.19611	1.5
379.08029	2.1
391.08185	1.2
394.34213	1.0
413.17511	1.9
439.10516	2.4
457.11328	5.6
457.16571	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	456.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86917	0.8
53.77941	0.8
55.01872	1.0
65.74891	0.8
69.03423	2.5
69.07080	7.4
70.06592	7.5
70.83151	1.9
71.05000	1.0
72.08164	2.0
79.05495	1.0
81.07040	0.9
84.08129	2.6
85.02888	2.7
86.09716	17.4
91.05473	3.2
93.07077	0.9
94.06573	1.0
95.04977	1.0
96.08122	1.4
97.02890	3.6
98.09718	0.9
98.20876	1.1
101.07130	1.2
103.05449	1.1
105.07044	0.9
106.06565	1.3
107.04967	1.7
109.10161	2.9
112.07600	0.8
114.05431	1.1
115.03922	1.2
117.05747	0.9
118.06554	7.3
119.04959	3.0
119.07331	72.1
120.08108	3.4
120.58311	0.9
121.02898	1.7
121.06542	1.2
122.06026	2.8
123.04446	1.4
123.08086	1.3
127.03903	1.3
127.11221	2.6
130.06528	3.4
133.05060	1.4
134.06027	14.3
135.04471	1.3
135.06813	9.6
136.07571	2.2
144.26186	0.9
150.05519	4.4
151.11011	1.0
165.06633	2.8
176.07074	5.9
177.05490	1.5
178.08562	0.9
179.05550	1.3
179.08337	0.9
207.08113	2.0
210.06728	1.3
217.06612	1.2
225.09076	2.1
235.07610	1.8
237.09102	3.6
239.10669	1.2
240.10107	1.9
241.08702	2.4
242.11325	1.2
251.07024	1.0
252.10207	14.0
254.11783	20.0
256.09741	6.5
263.07056	2.0
269.12854	33.5
270.11197	2.5
272.07867	1.5
280.09662	2.8
281.07916	1.2
283.52963	0.9
289.05133	1.0
294.14481	4.0
295.05896	1.2
297.12021	1.5
298.10800	6.8
307.05960	1.6
312.03210	1.2
314.06705	0.9
315.13400	100.0
316.13773	2.5
321.07608	1.0
322.08594	1.2
322.17926	1.9
325.07028	5.1
337.07028	3.3
337.19208	2.0
338.17596	1.9
351.08615	2.2
365.10574	1.2
379.08063	3.7
382.21323	2.3
383.19666	5.4
391.07834	1.2
393.18164	3.3
403.07803	1.4
409.09109	1.0
411.19214	2.9
428.16434	2.0
428.21878	27.9
439.18726	7.3
456.15039	6.1
456.21326	5.7
457.11102	3.4
457.16739	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09161	7.9
71.53337	12.2
71.56347	6.2
93.07043	10.1
118.93499	6.5
121.06512	7.7
127.74023	8.8
137.28409	6.6
142.63594	6.2
151.07520	9.6
164.04668	10.4
167.07045	7.7
170.84506	6.8
172.13065	7.2
177.05402	11.8
181.26668	7.5
191.07036	62.6
192.07822	100.0
203.07124	36.6
207.06758	9.8
213.09109	11.1
229.08606	13.0
233.50388	6.6
267.67227	7.3
367.15353	27.2
411.14285	33.3
424.04324	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	455.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.8
55.01865	2.6
55.05519	14.5
56.96572	3.5
57.03429	2.1
57.07077	5.8
67.05509	22.6
69.03425	3.2
69.07070	19.6
69.52117	1.9
71.04978	2.1
71.57956	3.5
79.05506	17.3
81.07063	69.9
83.04987	3.2
83.08621	10.3
91.05476	20.5
93.07053	45.8
93.47662	2.0
95.04969	4.6
95.08614	87.5
97.02827	2.3
97.06523	3.9
97.10188	4.4
98.97590	3.0
99.08086	2.6
105.07037	37.0
107.08604	73.1
109.06535	5.6
109.10167	53.2
111.08076	5.4
117.07029	5.5
119.08587	51.1
121.06483	2.3
121.10154	53.8
123.08100	4.8
123.11723	39.6
125.09691	4.1
129.06941	2.1
131.08589	22.7
133.10147	26.9
135.08060	3.9
135.11713	40.0
137.09639	3.5
137.13242	13.2
143.08524	4.6
145.10132	58.4
147.11694	26.0
147.38055	2.1
149.09669	6.1
149.13269	22.5
151.14876	2.5
156.09383	3.8
157.10149	8.7
159.11716	47.8
159.13017	3.4
161.09619	3.0
161.13275	28.8
163.11226	5.2
163.14851	16.0
165.09123	9.0
169.10066	2.8
171.11713	6.0
173.13274	27.4
175.11214	5.9
175.14862	12.4
177.16382	12.1
185.13286	6.8
187.14832	26.1
189.12743	4.0
189.16438	9.8
191.10789	2.3
191.14291	3.3
191.17966	100.0
199.14873	5.0
201.16402	79.7
203.17969	20.9
205.12291	2.8
205.15858	8.5
205.19563	11.3
213.16476	5.2
215.14174	2.2
215.18019	4.8
217.19543	18.0
219.13806	3.6
219.17444	22.7
229.15944	5.3
233.15321	13.0
242.95009	2.1
245.15408	4.8
247.16965	35.2
248.17180	3.0
251.16328	2.9
259.17212	2.3
265.18069	8.9
267.68030	2.5
269.22275	2.2
282.54532	2.7
305.21078	2.7
409.34589	3.9
437.28494	2.5
437.33972	13.1
455.35300	50.8
466.27719	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05508	4.4
57.07068	2.2
62.04238	0.9
67.05498	4.4
69.03446	1.2
69.07064	5.3
69.32930	8.1
69.33348	2.2
79.05493	7.0
81.07059	13.9
81.87708	1.2
83.04955	1.0
83.08640	2.7
85.06540	1.3
90.86140	1.1
91.05481	5.8
93.07050	15.0
95.04969	2.3
95.08610	16.9
97.06544	2.5
97.10165	1.1
98.20741	1.4
99.08141	2.0
105.07032	13.2
107.04932	1.5
107.08599	19.5
109.06537	2.0
109.10148	11.7
117.07008	1.5
119.08589	23.9
120.99178	1.0
121.06522	2.7
121.10143	11.4
123.08093	1.6
123.11718	4.3
125.05992	8.8
129.07018	1.4
131.08554	5.0
133.10143	24.0
135.08052	5.5
135.11697	26.7
137.09587	1.5
137.13332	1.6
139.07535	5.0
139.11172	1.2
143.08583	2.4
145.10124	11.1
147.08052	1.2
147.11682	15.7
149.09647	1.7
149.13255	3.3
151.11224	3.3
155.08566	1.6
157.10149	4.5
158.10905	1.3
159.08060	2.5
159.11746	5.6
161.09593	5.8
161.13248	4.6
163.07521	1.3
163.11151	1.5
163.14821	7.8
165.09160	1.0
169.10175	1.4
171.11707	3.7
173.09674	6.6
173.13307	3.6
175.11220	5.8
177.09157	5.7
183.11742	1.3
185.13297	1.8
187.11215	12.3
187.14854	8.9
189.16385	44.9
191.10680	5.0
197.13275	5.2
197.43683	1.0
199.11339	1.2
200.78191	1.2
201.12737	1.6
201.16321	1.5
203.18013	1.3
205.15805	5.5
207.17445	100.0
208.17770	1.6
211.14772	2.2
213.16402	2.5
214.13478	1.3
215.14317	18.0
229.15878	86.5
230.16278	2.2
231.17442	10.3
233.15379	42.2
234.15764	1.3
243.17453	6.5
247.16937	30.7
257.19028	4.5
269.19034	1.6
283.20511	4.9
297.22214	1.1
419.27795	1.2
419.33142	3.9
437.34155	39.4
438.34906	2.1
455.35233	95.6
456.35690	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	455.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01867	4.9
55.05500	2.3
57.03434	2.5
58.99186	0.9
59.67185	0.9
61.02922	2.3
67.05513	5.9
69.03432	19.8
69.07063	4.9
69.74016	5.3
71.04990	2.5
71.67971	1.0
73.02918	3.9
79.05508	5.6
81.03427	15.9
81.07049	4.4
82.30013	1.2
83.04973	2.2
83.08637	1.3
85.02911	23.2
85.06544	2.3
86.09706	1.3
87.00829	11.0
91.05497	9.1
91.06016	1.4
91.69427	1.2
93.07054	5.8
95.04974	12.4
95.08598	5.2
95.71387	1.1
97.02889	11.7
98.20827	2.0
99.04451	4.5
105.01894	6.2
105.07030	9.6
107.08607	15.2
109.02900	11.1
109.06531	10.5
109.10162	4.0
111.08092	1.8
115.03894	1.3
115.73775	1.0
117.01884	2.0
117.07021	4.1
119.04948	1.0
119.08582	13.8
121.06524	2.0
121.10133	3.9
123.08061	4.3
127.03934	18.7
128.06210	1.5
129.01848	1.3
129.07016	2.1
131.08595	11.3
133.06514	3.4
133.10141	7.3
135.08063	26.5
135.11679	1.4
143.08557	4.5
145.04971	6.5
145.06538	1.3
145.10155	8.3
147.08063	18.9
147.11676	6.8
149.09641	3.5
149.13208	1.3
150.10422	1.7
151.07550	18.6
156.09346	3.8
157.10207	1.1
158.10948	1.4
159.02899	5.5
159.11703	2.0
160.08871	3.0
161.09673	2.8
161.13277	2.9
163.11192	6.5
171.11691	7.1
173.13297	3.1
174.10416	1.5
189.12762	100.0
190.13138	1.2
191.14320	40.2
192.10309	1.3
205.12318	1.6
207.06557	2.3
207.13780	14.6
231.04999	2.3
231.13690	2.4
265.11749	1.7
275.19980	1.3
277.17786	1.3
437.18341	1.2
455.09085	2.2
455.22943	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1525
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
56.96560	0.9
57.03429	0.8
58.51439	0.4
60.45484	0.4
60.89873	0.5
67.05493	0.6
69.03424	1.2
69.07077	0.4
70.06592	1.0
71.04991	0.7
71.58012	0.6
72.08157	1.2
72.18002	0.4
73.02918	1.1
81.03406	0.7
81.07037	0.6
82.06571	0.6
82.78607	0.4
83.04980	0.7
84.08168	0.5
85.02913	2.6
87.04498	0.5
91.03889	0.4
97.02900	1.2
98.97577	2.4
99.04449	0.5
109.02888	1.1
110.97547	1.0
116.98666	0.8
124.07594	0.6
127.03947	0.6
128.98642	0.7
137.05983	0.6
147.04442	1.0
160.07567	0.8
201.07556	0.5
219.01764	0.9
237.02898	1.0
239.06920	0.8
245.37172	0.5
275.06900	0.4
317.08487	0.5
323.10312	0.7
411.12723	0.6
415.43912	0.4
418.21359	0.5
455.15353	100.0
456.15695	2.5
471.72220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.17
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96325	1.9
56.96574	18.6
67.05492	3.1
69.07057	1.9
69.66473	7.5
70.98129	3.1
77.16982	1.4
79.05479	2.3
81.07054	4.7
91.05462	3.1
93.07043	3.6
95.04961	1.7
95.08594	4.3
98.97585	5.9
105.03376	1.5
105.07009	3.1
107.08613	1.6
109.10131	2.9
115.03370	1.4
116.98641	3.1
119.08598	3.5
129.07104	1.5
131.08533	2.6
149.09634	1.7
165.08989	2.1
170.52460	1.6
177.05473	2.4
179.07082	4.3
191.07068	4.4
203.07027	18.6
213.09184	3.0
225.79871	1.6
267.06839	3.7
271.78748	1.7
283.06506	2.7
285.08011	31.6
297.04553	2.6
297.07974	10.1
299.06259	3.4
299.09491	6.2
301.07556	3.1
303.09048	24.8
315.09052	33.9
317.07016	1.6
317.10577	4.3
327.05679	1.9
329.06927	5.8
339.08978	3.4
347.08167	2.7
351.12671	23.2
369.13760	100.0
383.07816	16.8
383.11530	2.3
387.14682	5.4
392.15344	5.4
395.11139	9.9
401.12979	8.3
413.12775	27.4
436.14502	3.8
437.34674	1.7
455.13702	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	455.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01456	1.0
55.01867	4.3
55.05501	1.7
57.03435	2.8
61.02921	2.6
67.05515	4.1
68.99766	1.3
69.03436	15.3
69.07059	3.7
70.10506	5.0
71.04991	2.0
73.02913	4.9
79.05509	5.6
81.03431	15.6
81.07067	3.9
83.04993	2.1
83.08658	1.4
85.02911	19.5
85.06556	1.6
86.09689	2.2
87.00846	9.9
91.05484	6.1
93.07037	5.1
95.04974	14.1
95.08598	4.6
97.02898	8.3
97.10146	1.0
98.97636	1.1
99.04451	5.7
100.25998	1.4
105.01856	4.3
105.07050	8.2
107.08595	13.5
109.02903	10.9
109.06509	8.5
109.10168	3.0
111.08103	1.1
117.01881	1.2
117.07034	2.8
119.04972	1.6
119.08591	10.2
121.06552	1.6
121.10161	3.5
123.08092	4.0
127.03931	16.2
129.07021	2.1
131.08585	9.5
131.70401	1.0
133.06497	2.7
133.10146	4.7
135.07101	2.3
135.08066	27.2
135.09000	1.2
135.11702	1.7
143.08577	3.3
145.04977	7.5
145.10124	5.5
147.08083	15.5
147.11679	4.3
149.09618	3.7
149.13249	1.6
150.10385	2.7
151.07562	14.8
156.09375	3.0
159.02888	6.5
159.08104	1.8
160.08817	2.1
161.09613	3.4
161.13306	1.6
163.11230	4.8
171.11725	4.9
173.13254	3.2
174.10373	1.3
189.12762	100.0
190.13184	1.5
191.14325	44.1
192.10164	1.5
207.06689	1.3
207.13832	13.1
231.05034	3.6
244.10344	1.2
265.11786	2.8
437.18060	1.3
455.16724	1.5
455.23166	15.0
465.70682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
56.96570	39.6
67.05496	3.6
70.98095	3.8
71.58189	2.0
79.05498	2.6
81.07051	5.0
83.04984	1.6
91.05474	3.5
91.47511	1.3
93.07034	2.7
95.08595	1.6
105.07034	4.5
107.08590	3.7
109.10174	2.2
119.08600	3.9
121.06486	2.8
121.10197	2.3
133.10141	3.8
135.03299	1.4
143.38116	1.4
145.10255	1.7
147.03241	1.5
147.11684	2.4
149.09589	1.5
159.11678	2.5
165.09103	2.0
193.01692	1.9
203.07071	4.9
205.05080	1.3
207.03293	1.9
209.01236	2.1
225.04265	2.8
227.02188	2.5
243.05342	1.5
267.06976	7.9
267.21036	1.6
269.08423	2.5
281.08475	4.8
284.42386	1.5
285.07993	50.8
286.05191	2.2
286.08102	1.8
297.04727	2.1
297.07870	7.7
299.06281	2.6
299.09543	67.9
300.09805	1.6
301.07361	3.4
303.05579	2.8
303.09036	51.2
308.09564	2.3
311.09439	3.2
313.07425	4.4
314.04410	1.8
315.05591	2.4
315.09058	14.7
316.06134	2.1
316.09518	1.9
317.10623	73.9
318.10754	1.8
322.11136	1.9
325.07321	1.9
326.10800	3.7
329.06873	5.5
329.10663	3.9
331.08481	2.9
333.06406	1.7
335.11917	1.7
340.12119	2.9
343.08469	2.5
345.06622	1.6
347.07950	4.1
351.12656	33.1
353.10526	4.4
369.13757	100.0
370.13992	2.6
383.11664	19.1
387.14700	13.7
392.15356	5.6
401.12714	24.3
413.12747	4.6
424.14404	3.1
455.13773	84.2
455.34930	3.1
456.14313	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68237	2.7
69.68660	2.1
87.21466	0.7
98.20829	1.3
98.97591	0.9
112.89613	2.9
131.00142	0.7
170.03345	0.7
173.92764	0.7
179.97348	0.8
219.01674	1.2
395.08749	1.3
413.09601	2.1
455.11646	100.0
456.12164	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	455.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01861	0.4
55.05499	0.2
57.03427	0.4
58.84692	0.2
61.02920	0.2
68.99785	0.3
69.03430	2.5
69.62708	0.2
69.80039	0.5
69.80441	0.3
71.04973	0.1
73.02905	0.6
79.81173	0.1
81.03422	2.6
85.02911	2.3
86.09694	0.3
87.00834	1.6
87.41692	0.1
93.07040	0.4
95.04957	0.2
97.02910	1.1
99.04472	0.7
103.87656	0.2
105.01853	0.5
105.07009	0.2
106.60384	0.2
108.05777	0.2
109.02885	1.5
111.08031	0.2
115.02220	0.2
117.01845	0.2
119.08566	0.2
121.89644	0.2
127.03931	2.3
129.01851	0.2
132.58968	0.1
133.06459	0.4
145.04941	0.4
147.02898	0.2
151.07571	0.3
159.02850	0.8
161.05948	0.3
164.04691	3.0
171.11624	0.2
189.12820	0.7
192.04185	4.2
207.06534	100.0
208.06876	2.0
227.17511	0.2
231.04979	0.3
455.11685	0.4
455.22223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
55.13015	0.7
56.96574	20.2
67.05477	2.3
69.07042	1.5
70.98096	3.3
71.58284	1.2
79.05475	2.0
81.07077	4.3
83.04964	0.8
83.08636	1.0
89.11027	0.7
91.05463	2.8
93.07016	2.7
95.08595	4.0
98.97589	6.7
105.07011	3.0
107.08588	2.6
109.06509	1.0
109.10146	2.7
109.54982	0.9
112.25370	0.7
116.52791	0.8
116.98645	4.2
119.08585	2.7
121.06531	1.0
121.10114	2.7
123.08116	1.0
123.11696	1.0
129.06993	1.0
130.70317	0.7
131.08574	1.8
133.10110	1.7
134.99670	0.9
135.11722	1.4
137.09615	1.2
145.10109	1.5
147.08052	1.0
147.11734	0.8
149.09592	1.0
151.07573	0.9
159.11749	1.4
161.13307	0.7
165.09100	3.0
173.13286	0.9
175.14830	1.3
177.05498	1.1
179.07025	1.6
185.13232	0.8
191.07071	1.7
192.07718	1.4
203.07050	8.0
203.10695	1.0
205.05112	1.0
207.06635	0.8
211.02606	0.9
251.05928	1.2
253.05475	1.0
255.06940	1.3
267.06979	3.0
268.04272	0.8
269.04898	1.4
271.06421	2.4
273.08020	0.8
279.03369	0.8
279.06815	1.1
282.05566	1.1
283.06467	3.2
285.07993	33.5
286.05298	1.3
289.07327	1.3
296.03464	1.3
297.04556	1.1
297.07956	11.0
299.05850	3.6
299.09537	7.8
300.06683	1.2
301.07373	3.6
303.09058	28.0
304.09393	0.9
308.09570	1.6
311.06049	1.2
313.03979	1.3
313.10846	1.0
314.04715	2.0
315.05630	1.6
315.09024	35.9
317.06924	1.7
317.10590	6.1
317.60095	0.8
326.10648	2.0
329.07095	5.6
333.06461	1.0
333.09958	1.8
337.11099	1.8
338.10510	2.0
339.08936	4.7
347.07990	2.9
351.12692	23.0
352.13199	1.1
355.12201	2.3
357.10046	1.7
365.10617	1.1
369.13763	100.0
370.14258	2.2
377.10760	1.8
383.07828	17.0
383.11884	2.6
387.14841	4.5
392.15311	5.3
395.11502	10.3
395.15656	0.9
396.12329	1.1
401.12970	6.1
410.16360	1.0
413.12778	30.8
436.14276	2.6
437.12866	0.8
437.34201	1.3
455.13794	33.8
455.20230	1.8
455.35306	1.5
456.13736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.293
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.57974	1.1
51.20296	1.0
55.05497	3.7
55.44469	1.0
56.96533	1.2
57.03418	4.7
57.07077	22.0
60.19430	1.1
62.06093	24.5
63.49045	1.1
67.05499	5.4
69.07045	4.7
69.95662	5.2
71.08637	14.0
74.99178	1.0
79.05484	2.1
81.07059	7.9
83.08606	4.2
85.10190	7.1
91.03958	1.0
93.07044	1.5
95.08614	10.5
97.10164	1.5
98.97573	1.4
98.98457	3.7
105.07010	1.2
109.10160	4.6
119.08596	1.8
119.26733	1.2
119.75058	1.1
123.11680	2.1
145.10022	1.1
155.01033	7.2
170.99550	1.2
198.05351	1.7
216.06230	2.8
226.77451	1.1
239.23640	1.3
250.70209	1.4
265.47983	1.1
282.27908	12.9
313.27380	100.0
314.27673	3.1
317.17966	1.4
349.15887	3.0
390.71832	1.3
393.23917	6.3
436.28000	2.7
454.34134	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01864	0.7
55.05515	4.3
56.05036	3.6
57.03427	1.6
58.06597	3.9
61.02904	0.8
62.40268	0.5
65.03940	1.3
67.05505	6.0
69.03429	4.9
69.07058	1.5
69.61656	3.6
70.06579	1.6
71.04993	3.0
72.04523	0.6
72.08145	2.2
73.02912	0.8
73.06563	5.0
79.05506	0.7
81.03386	3.5
81.07044	0.6
82.04200	1.4
83.04985	4.6
83.08559	0.5
84.08150	11.9
85.02905	11.7
85.06545	1.3
86.06072	0.7
86.09702	2.0
87.04512	0.5
87.08126	1.2
91.05489	0.7
93.03405	3.8
93.07037	0.8
95.04967	0.7
96.08124	1.5
97.02902	2.2
97.06542	20.0
98.09082	1.0
98.09697	12.0
98.97539	0.7
99.08101	2.2
101.06013	2.0
102.05561	0.6
103.05450	0.6
103.07591	0.7
108.08121	0.5
109.02887	1.9
110.09679	5.5
111.04450	5.0
112.07623	1.2
115.07561	3.9
116.10736	45.7
125.05991	15.5
126.09168	0.9
127.03937	2.9
127.09943	1.4
128.10732	8.8
129.09122	3.8
137.05968	0.7
138.09143	1.8
139.03957	0.7
142.12279	6.9
143.07043	4.4
145.04945	0.9
147.04431	0.6
156.10217	5.4
188.12823	20.3
202.14293	0.8
206.13992	1.6
220.15471	1.0
230.13821	1.3
269.10355	0.6
274.08096	0.7
282.28418	0.5
287.11179	0.7
292.08997	1.4
300.14737	0.6
322.12695	0.7
332.17099	3.1
364.19720	2.0
390.20950	0.8
422.23889	25.7
454.26489	100.0
455.16016	1.3
455.26825	2.1
474.92386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1912
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
52.65514	0.2
55.01799	0.4
55.05429	0.5
61.52112	0.3
65.12063	0.3
67.05424	0.7
69.06977	0.5
71.44727	0.3
71.45081	0.3
79.01730	4.4
79.02229	0.7
79.05363	1.1
81.06926	1.2
81.07357	0.5
82.27081	0.3
83.08459	0.4
86.42017	0.3
91.05353	1.2
93.06925	2.4
93.07559	0.6
95.08478	1.2
105.06898	1.0
107.04790	1.0
107.08450	1.9
108.35501	0.3
109.06418	0.5
109.10031	1.6
109.10770	0.6
115.05351	0.3
117.03302	0.4
117.06927	0.5
119.08422	1.2
121.06406	0.7
121.10058	0.3
124.05056	0.3
129.06894	0.4
131.04829	0.4
131.08441	0.9
133.02734	0.4
133.10027	0.7
134.03632	1.8
135.04332	0.7
135.11580	0.8
136.05063	0.4
139.07422	0.6
141.06841	0.4
143.08470	0.5
145.06364	0.5
145.09958	0.6
147.11586	0.4
148.05145	0.4
149.02202	0.6
149.09528	0.6
151.03752	1.0
151.07562	1.7
155.04822	0.4
157.02783	0.5
157.10062	0.3
158.07224	0.3
159.04326	1.0
161.05855	0.6
161.12944	0.4
163.03745	0.5
165.01715	1.0
165.05389	0.4
165.09044	0.4
167.03247	0.4
167.06938	0.5
168.03432	0.3
169.06395	0.6
171.04298	0.3
173.05887	0.5
173.13254	0.4
175.03813	0.9
175.07489	0.3
176.04578	0.4
177.05327	1.0
179.07048	5.1
183.04301	0.4
186.06651	0.3
187.07417	0.4
191.07031	1.9
192.07639	1.0
197.05920	0.6
199.03806	1.0
201.05473	2.2
201.09030	0.3
203.03300	0.8
211.03799	0.3
211.07430	0.7
213.05414	0.7
214.06186	0.6
215.06926	1.1
219.06441	0.6
225.05389	1.0
228.04236	0.3
229.08456	1.1
241.05013	2.1
242.05640	1.1
243.06512	0.7
253.05002	2.0
255.06470	0.6
269.04602	0.4
269.07974	0.4
270.05264	3.9
271.05997	0.6
271.09256	0.3
281.04370	1.3
281.07819	0.7
283.05887	0.8
285.07468	0.5
289.06985	1.4
295.05850	0.6
297.07690	0.6
298.04749	21.6
299.05103	0.8
301.06992	1.4
307.09799	0.4
309.07565	2.0
313.07080	100.0
314.07468	2.9
315.08673	1.2
325.07031	1.0
327.08728	1.1
337.07022	2.2
349.10666	0.4
352.09515	0.8
353.10199	0.8
367.11813	9.8
393.13388	4.1
411.14539	1.2
435.18243	3.9
453.19333	11.8
453.33798	0.8
454.19211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1546
Annotation	(9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Peak:m/z	Relative Intensity
52.50116	0.3
61.89282	0.4
64.91925	0.4
67.05498	0.6
70.67548	1.2
79.05473	0.8
81.07068	1.0
83.04961	0.3
91.05477	1.1
93.07035	1.2
93.19386	0.4
95.08600	1.0
98.93749	0.5
105.07027	0.7
107.08583	0.8
109.10172	0.4
117.06995	0.5
118.04131	0.6
119.08550	1.0
121.10167	0.5
129.06989	1.2
131.08508	0.6
133.10164	0.6
144.05759	0.4
145.10101	0.6
147.04408	1.8
147.11729	0.6
155.08574	0.5
158.07329	0.5
159.08090	0.6
161.05992	0.7
161.13353	0.4
171.11646	0.4
175.07559	1.0
176.04657	0.6
181.06473	1.1
185.05989	6.2
187.03816	1.2
187.07533	0.5
191.07048	2.5
207.06525	0.9
209.05974	0.6
210.06836	0.8
213.05507	0.6
232.12996	0.4
237.05461	1.7
237.09038	0.5
238.06288	1.1
239.06979	0.6
248.08261	0.4
249.05550	0.5
250.06445	0.4
251.06895	0.7
257.07938	0.4
261.09250	0.6
261.12012	0.4
263.07086	0.7
264.04126	0.5
265.04980	3.5
266.05688	0.9
267.06500	0.7
273.09250	0.5
275.07095	1.4
276.04315	0.5
276.07782	1.1
279.06589	0.9
281.08124	0.7
287.06970	0.8
289.08615	0.5
290.05783	0.5
290.09418	1.1
291.10101	1.1
292.07199	0.5
293.04465	8.2
293.08075	3.9
294.05237	1.9
294.08340	0.4
295.06073	0.8
301.08569	1.2
303.06522	8.6
303.09775	0.9
304.07184	1.0
305.04456	0.8
305.07956	1.2
307.02518	0.4
307.05951	1.0
307.09476	0.8
308.03268	0.5
309.07590	3.4
310.08395	1.6
315.10144	0.7
317.04489	0.6
317.08035	0.9
317.11609	0.5
318.08795	3.7
319.06140	0.8
319.09631	3.2
321.03879	1.7
321.07581	0.9
321.11078	0.6
322.04666	2.3
329.08237	1.0
331.06070	1.3
332.06808	1.3
333.07404	0.6
333.11182	8.5
334.11661	0.5
335.09183	1.6
337.07071	30.8
338.07657	3.4
339.08527	0.8
341.51956	0.5
345.07495	1.0
346.08350	1.9
347.09174	9.1
348.09738	0.5
349.07083	0.9
349.10660	2.4
350.07800	0.7
350.11493	0.8
361.10580	4.7
362.11493	4.6
363.08627	2.1
363.12430	0.6
365.10117	0.7
365.14008	3.2
377.10110	1.2
378.10971	1.1
393.13330	100.0
394.13681	3.8
453.15561	3.0
453.33884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65324	0.3
54.42772	0.2
62.43114	0.2
66.40081	0.2
67.05508	0.5
69.07068	1.3
69.30273	1.5
69.30701	0.8
79.05515	0.6
79.76366	0.2
81.07066	3.1
93.07066	0.4
95.04981	0.3
95.08611	0.7
105.07033	0.5
109.02895	1.5
109.10172	0.4
116.11071	0.3
119.04932	0.2
121.06496	1.1
123.04425	0.8
132.05685	0.5
135.04454	1.2
137.02333	0.4
145.10098	0.4
151.03909	1.1
153.01823	0.8
153.05502	0.6
155.03421	1.6
156.05713	0.5
161.05984	0.4
167.03345	0.6
168.05730	0.3
169.06583	0.6
170.07277	0.4
171.08061	1.5
179.03427	0.4
182.02153	1.3
183.02940	0.4
184.05275	0.8
185.05962	0.5
187.07788	0.3
197.05994	0.4
198.06775	1.8
199.07549	1.9
200.03174	1.1
201.05594	0.5
203.07164	0.3
209.05908	0.3
212.04692	0.9
213.05502	1.0
213.09160	0.6
215.07095	0.3
216.07800	0.5
220.71515	0.2
226.06311	1.5
227.07008	3.1
229.05008	1.0
229.88170	0.3
240.04123	0.4
241.05009	0.6
241.08658	0.5
243.06529	1.0
244.07297	1.3
254.05652	0.4
255.06584	2.7
256.07095	0.3
257.04431	1.2
259.09683	6.1
268.03522	0.4
269.04233	0.3
271.05997	1.3
272.06778	2.8
283.06116	0.6
285.03946	0.6
291.78064	0.3
299.05527	0.5
300.06308	10.7
301.06476	0.3
313.07108	0.5
314.07855	0.5
315.08640	100.0
316.08923	2.4
316.70340	0.3
382.56802	0.3
407.14749	0.5
451.21121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01858	4.3
57.03428	4.4
58.18689	2.5
61.48737	2.6
67.05492	11.6
69.03431	23.7
69.06728	3.2
69.07076	48.7
69.61819	7.0
69.62231	10.9
70.06612	3.8
71.04972	8.5
72.43785	2.5
73.02901	2.6
81.03423	15.1
81.07046	9.6
83.58622	2.5
84.08147	3.2
85.02434	3.3
85.02911	51.2
87.00833	23.7
91.05536	2.9
93.07059	7.0
95.04982	2.9
95.08606	5.3
97.02914	16.9
98.97583	6.1
99.04451	7.3
99.10616	2.7
105.01880	27.0
105.07047	6.4
107.04954	3.1
107.08606	12.6
109.02887	17.4
109.06512	4.7
109.10164	100.0
113.05986	2.6
119.08540	4.0
121.04900	2.9
122.74578	2.4
123.11715	13.7
127.03920	24.4
127.11200	23.7
133.10152	3.6
137.05905	3.6
145.04965	7.4
145.10106	3.6
151.11201	13.7
153.12666	2.9
153.96075	2.3
159.02888	4.5
159.11690	3.4
164.07008	3.4
169.12274	31.8
187.13274	28.8
203.18092	3.3
213.12424	2.9
217.33794	2.6
231.05009	8.1
233.95374	2.5
452.17374	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	451.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61326	0.4
53.03952	1.0
55.01865	0.5
55.05507	0.8
57.03410	0.5
65.03948	0.6
67.05496	1.0
67.14754	0.4
69.03422	1.6
69.07049	0.5
70.70522	1.1
70.70877	0.6
71.04990	0.6
73.02924	0.5
79.05492	1.1
81.03414	0.7
81.07058	1.9
83.04956	0.4
85.02910	4.9
85.06522	0.4
91.05475	3.3
93.07051	1.3
94.06552	0.6
95.04926	0.5
95.08620	1.9
96.08125	1.5
97.02901	1.7
104.04960	0.5
105.07009	1.3
106.06570	1.4
107.08578	0.9
108.08101	0.5
109.02889	1.1
109.10165	0.7
116.04999	0.7
117.05772	0.7
118.06530	3.6
119.07329	1.0
119.08549	1.2
120.08111	14.8
121.06490	0.8
121.10134	1.1
122.09691	1.0
123.11757	0.5
124.07595	8.2
126.09174	1.0
127.03941	1.3
131.08554	0.4
133.10165	1.1
134.06017	5.7
135.11740	0.5
136.07568	4.0
138.05519	1.4
138.09149	0.9
143.08577	0.5
145.04976	0.5
145.10077	0.7
146.06001	4.6
147.06796	2.8
147.11742	0.5
148.07587	11.6
150.09122	1.9
152.07074	1.2
153.01865	0.6
159.11719	1.0
161.13332	0.6
164.07072	63.1
165.07533	0.8
166.08652	2.4
172.11229	0.5
173.10794	0.5
173.13316	0.5
173.19055	0.4
173.98630	0.4
187.14818	0.7
200.10797	1.0
201.16522	0.5
202.12317	0.5
214.10953	0.5
215.15408	2.0
216.10251	1.9
226.12308	0.6
228.10182	0.6
229.13406	1.8
243.14931	8.4
245.06094	0.4
245.16536	3.7
253.13351	1.8
254.11780	1.4
271.14420	24.8
287.05603	2.0
288.05835	1.6
289.06320	3.7
289.15475	100.0
289.24902	2.4
290.15744	2.7
301.06192	0.7
333.47513	0.4
451.10764	0.9
451.20697	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1367
Annotation	Methylinoscavin B
Peak:m/z	Relative Intensity
50.97461	0.7
58.06895	0.8
63.36475	0.7
63.68079	0.6
69.64893	3.8
79.05496	0.6
93.07036	0.9
98.20786	0.8
105.07094	0.7
105.51964	0.6
109.10168	1.0
166.88010	0.6
191.89491	0.7
203.07047	0.9
220.91756	0.7
317.20020	0.8
318.56531	0.7
321.73459	0.7
324.82004	0.8
343.09460	2.9
348.30719	0.6
375.12082	21.8
377.13977	1.0
407.14688	23.8
419.11072	15.5
451.13690	100.0
452.13879	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	451.1366
Annotation	IRIGENIN, 7-BENZYL ETHER
Peak:m/z	Relative Intensity
57.07066	0.5
57.57590	0.4
60.17581	0.4
66.01123	0.5
67.05499	0.8
69.03440	0.5
70.05219	2.1
70.06596	1.3
79.05489	0.4
80.37052	0.4
81.07063	1.0
83.08638	0.5
83.22211	0.4
91.05460	1.4
93.07033	0.8
95.08635	0.6
105.07019	1.0
107.08631	0.7
109.10190	0.8
110.58867	0.4
114.09147	0.6
121.04003	0.4
121.10139	0.6
124.92538	0.5
131.08554	0.7
143.03471	0.5
146.11768	0.5
161.09715	0.5
167.20735	0.4
172.94667	0.4
287.05374	0.8
289.06174	0.7
300.29160	1.7
394.02347	0.5
433.20065	0.7
444.17343	0.5
450.37930	5.1
451.13690	100.0
451.38345	1.6
452.13821	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1214
Annotation	6-C-Glucopyranosyldihydrokaempferol
Peak:m/z	Relative Intensity
55.05504	1.7
66.37556	0.9
69.03439	1.5
69.07066	1.3
70.06602	1.9
71.55708	1.5
72.08165	2.0
81.07063	1.4
84.08150	1.3
85.02903	4.1
93.07034	1.2
94.84332	1.1
97.02905	1.1
97.06523	0.9
107.08598	1.2
109.02878	1.4
120.08119	1.4
121.02898	1.3
131.04927	2.6
145.02922	1.4
154.08685	1.5
165.01863	1.7
185.05742	46.9
195.02750	1.3
197.43697	1.0
227.05392	3.1
271.04269	7.8
289.06741	1.5
291.97192	0.9
301.06180	2.4
305.05380	1.3
331.07315	1.1
365.12195	6.2
367.08371	1.1
375.50095	0.9
389.12335	1.7
407.13147	39.6
414.70209	0.9
433.09323	1.0
433.16064	1.5
451.12119	100.0
452.12277	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	451.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07397	4.7
56.96567	23.3
60.77310	5.1
69.69675	27.8
84.96046	16.2
89.18308	4.2
90.86041	4.2
98.20660	6.0
98.97598	100.0
110.97585	49.8
112.99184	7.0
116.98631	35.1
124.99154	5.7
128.98619	22.1
143.00198	12.2
146.99666	5.7
158.99683	9.4
161.01318	5.4
170.99680	8.2
177.00775	12.1
180.57246	4.4
201.00748	14.4
203.02284	10.3
206.02420	8.5
219.01767	72.4
224.03561	15.8
235.25684	5.0
237.02834	72.8
261.02881	12.0
281.06744	8.8
284.03568	8.0
302.04633	5.8
347.07980	11.3
350.06866	5.6
365.09100	26.2
383.10178	61.0
407.10941	13.1
425.11343	7.5
451.03793	4.8
451.10025	99.5
452.10504	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	451.1215
Annotation	6-C-Glucopyranosyldihydrokaempferol
Peak:m/z	Relative Intensity
55.05534	1.0
57.03453	0.8
57.06965	0.8
62.06087	0.7
67.05495	1.4
68.18990	0.7
69.03430	2.7
69.07062	1.0
70.06598	1.8
71.24713	0.7
71.58002	0.8
72.08161	2.6
79.05488	1.7
81.07049	1.2
83.04984	0.9
84.08134	0.8
85.02917	2.6
85.06573	0.9
86.09698	1.4
91.05485	2.6
93.07029	1.3
95.04941	1.0
95.06111	3.0
95.08595	0.9
97.02966	1.8
98.97601	1.5
99.04448	1.1
103.05471	1.4
105.07031	1.0
107.04952	1.2
109.02888	1.1
113.07143	7.3
119.18485	0.8
120.08103	2.7
121.08913	0.9
121.10143	1.3
127.03912	1.3
131.04961	1.6
137.05975	0.9
147.11789	0.8
149.08395	2.0
167.03319	0.7
167.07094	1.3
177.05525	1.5
185.05783	6.3
185.07286	1.1
202.05997	1.9
221.04956	1.0
227.05316	2.3
227.99319	1.0
259.11966	2.9
267.63815	0.8
271.04279	2.7
277.13123	1.6
289.11914	1.1
289.15317	1.5
302.12506	1.4
331.06769	1.2
337.07187	1.1
355.07605	0.9
365.12393	4.1
389.12167	1.7
405.09741	1.0
407.13165	35.8
433.09348	1.9
433.15652	0.9
451.12140	100.0
452.12479	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	450.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05522	1.4
55.83263	1.0
56.96582	1.5
57.03440	1.5
59.90848	1.0
61.02934	1.5
67.05489	1.8
69.03432	2.2
69.07072	1.4
69.46100	7.9
75.04466	1.3
77.28117	1.0
79.05495	15.2
81.03410	3.3
81.07058	3.7
82.10098	1.0
83.04952	1.4
85.02905	10.9
86.73376	1.2
91.05479	6.8
93.07023	1.3
94.04185	1.3
94.91876	1.1
95.04983	1.6
95.08604	1.2
97.02885	4.3
97.06544	3.0
98.97585	2.2
107.04958	35.2
109.02811	1.3
109.10176	1.2
115.05447	9.4
117.07024	100.0
118.07354	1.5
124.05208	6.4
125.05984	3.1
127.03926	2.1
145.04961	2.3
149.05980	1.6
151.03946	1.4
152.04713	2.0
153.05414	1.2
167.07054	87.7
168.07353	2.0
169.10110	1.1
180.08664	2.2
216.16362	1.0
223.30354	0.9
263.50137	1.1
271.13248	2.1
287.05466	9.0
288.05920	18.8
295.28687	1.0
299.05420	2.6
300.05826	8.5
312.05658	2.5
329.06653	1.9
329.10245	2.3
330.06784	6.2
340.08914	1.3
354.06918	2.3
384.07788	2.4
396.07925	1.6
414.08990	2.3
450.12140	8.5
450.18954	5.1
451.13538	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	450.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05510	0.7
57.03418	0.9
61.02917	1.2
63.37735	0.4
65.19677	0.4
67.05498	0.9
69.03436	3.7
69.07058	1.3
70.06611	1.1
70.77315	1.3
71.04994	0.6
72.08147	2.3
73.02930	0.7
81.03410	1.9
81.07033	0.6
82.06567	1.3
83.05007	0.6
83.08626	0.5
84.08131	2.0
85.02902	6.9
87.04449	1.0
91.03969	0.5
91.05458	0.7
93.07053	1.7
95.08607	1.3
96.04520	2.9
96.05073	0.7
96.08125	2.0
97.02901	3.6
97.05237	1.6
97.06524	0.8
98.97586	0.6
99.04452	1.0
100.07551	0.8
105.07057	0.6
109.02846	0.6
110.06065	5.0
110.09682	3.3
111.08075	0.9
111.59824	0.5
115.03936	0.5
116.98611	0.5
119.08559	0.5
120.08111	1.7
121.06520	1.5
124.07591	1.2
125.08408	0.5
126.09149	8.9
127.03908	1.9
137.89162	0.4
138.09151	17.8
139.07526	0.6
145.04984	1.2
151.03975	0.7
152.10719	0.8
154.08560	0.8
156.10208	100.0
157.10571	0.6
165.09114	0.5
167.07120	2.4
167.10695	0.5
168.10193	1.1
180.10194	0.6
198.11261	1.6
252.12325	0.6
259.11816	0.8
277.12878	0.6
287.05585	1.5
288.05942	3.0
288.14371	1.3
289.11795	0.9
302.12488	0.8
304.05313	1.0
318.15482	23.7
319.15439	0.7
330.06973	0.5
336.86923	0.6
407.13174	0.7
450.20959	1.1
451.11774	1.5
451.19553	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02208	2.7
55.01859	7.0
57.03185	4.2
57.03438	50.3
61.02926	19.1
67.05496	4.9
68.71896	2.5
69.03428	55.0
70.06563	5.8
71.01355	5.6
71.35472	6.6
73.02917	91.2
81.03403	11.1
82.06574	7.0
83.04967	4.2
84.08121	4.0
85.02908	100.0
86.06052	8.6
86.09786	2.8
87.04459	9.4
97.02898	81.0
98.09733	2.4
98.97581	8.3
99.04437	5.0
107.04900	3.1
109.02852	10.1
115.03931	65.5
117.06979	3.9
121.06507	71.3
121.78259	2.8
126.09163	8.6
127.03951	28.6
129.06999	3.2
131.04889	3.6
133.04965	30.7
138.02177	4.4
138.05505	4.3
141.10237	13.0
145.04970	35.3
145.06465	20.7
151.07516	10.3
156.06506	4.4
159.08034	8.5
163.05956	10.4
163.07509	9.4
167.07040	11.8
172.03119	2.9
175.07497	16.2
179.07164	4.6
184.09755	3.2
187.07553	32.5
205.08601	20.2
217.08620	24.8
223.06122	4.3
229.08655	11.5
235.09679	21.1
237.02649	3.9
241.07086	7.2
247.09636	9.8
253.10556	5.1
259.08069	4.2
261.14371	6.4
265.10782	7.4
288.05853	6.6
288.14532	3.6
295.10175	6.5
304.05380	5.3
337.64078	3.0
450.23273	5.9
451.17572	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	449.2175
Annotation	Isoasatone
Peak:m/z	Relative Intensity
55.32586	0.7
56.36210	0.7
56.96569	52.6
58.06605	3.7
65.39025	0.7
67.59103	0.7
69.03436	0.8
69.07071	0.8
70.97850	0.7
70.98127	8.2
71.32764	0.7
71.56984	0.7
71.95262	2.1
72.08154	5.3
72.96043	1.4
74.97614	0.8
84.08162	6.6
84.96041	5.0
86.09698	0.9
86.97560	0.8
88.99164	1.1
97.99184	0.9
98.09685	1.5
98.97588	10.1
100.00777	1.0
102.09180	16.0
108.58482	0.7
110.09685	25.3
110.97575	9.7
112.11240	3.5
112.99119	1.3
115.00696	3.5
116.10763	1.0
116.98633	2.0
123.82851	0.8
123.96446	0.7
126.02275	1.1
127.00698	1.2
128.10741	2.5
128.98619	6.3
130.01785	1.3
131.00163	0.8
133.01770	1.8
139.00688	3.4
140.03830	3.7
141.02220	2.2
142.01810	4.2
142.05403	2.9
142.98946	4.1
142.99957	0.8
144.03371	0.8
144.13805	1.5
146.99689	1.4
151.20277	0.7
154.98959	1.4
156.06941	0.9
157.00534	1.6
157.01723	7.5
158.04912	14.9
158.99648	1.3
159.03279	1.7
160.02811	4.2
160.06483	4.0
161.00044	1.5
161.01210	1.0
166.05461	2.0
167.00174	1.2
169.01724	1.9
172.02818	1.8
174.08092	1.0
174.11229	1.3
175.02792	3.7
176.05966	8.2
177.00845	1.5
177.02304	0.9
178.05127	1.1
182.04910	1.3
184.06445	11.9
185.01247	3.5
186.08047	4.9
187.02798	1.3
188.09616	3.0
188.12848	2.5
190.03770	1.0
200.05943	1.8
200.09613	1.1
202.07518	9.7
203.02257	1.9
204.09135	9.7
206.13910	1.7
211.02908	1.0
212.05960	5.5
216.09033	1.1
218.10674	4.2
219.01816	2.9
220.08577	1.9
222.09985	0.8
230.07008	13.3
232.15189	0.8
237.02844	3.4
244.08557	6.3
248.08093	19.5
258.10300	0.9
262.09665	13.6
266.09079	4.8
280.10727	4.6
284.08215	3.0
288.11499	1.3
295.06909	2.7
298.09662	5.8
302.09283	1.7
304.07083	1.4
308.10336	1.3
310.11276	0.9
313.14426	0.9
316.10751	2.8
318.08594	1.0
326.12720	0.9
336.09671	1.6
337.07980	1.1
339.15979	2.0
345.17038	1.0
353.17551	1.3
357.16937	1.0
371.18442	1.6
372.13193	1.1
385.16495	19.9
399.18103	3.3
403.17505	7.6
417.19119	31.1
431.20840	2.1
435.20325	7.1
449.21750	100.0
450.16125	2.2
450.22052	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	449.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30519	1.9
54.74693	2.0
55.05505	4.5
56.96555	5.4
58.05034	2.0
62.97630	1.8
65.03942	2.2
66.06389	1.9
67.05504	4.6
69.07078	11.7
71.06667	1.9
71.57748	2.0
73.06576	2.0
76.96348	2.1
79.05488	5.6
81.03419	2.4
81.07047	8.0
82.26833	2.5
83.04996	3.2
83.08643	2.5
88.46991	2.2
91.05492	13.9
93.06659	1.6
93.07057	17.4
95.04960	5.6
95.08617	5.5
105.07025	8.2
107.04982	3.0
107.08615	11.5
109.06484	2.9
109.10168	5.1
115.05486	2.3
119.08570	6.9
121.06538	3.1
129.07074	3.1
131.08588	3.5
133.10123	3.4
135.04420	8.3
135.11687	14.6
137.02365	4.9
137.05975	2.9
143.08577	2.6
145.06491	2.3
147.11617	2.0
149.02336	4.7
151.02724	3.8
151.03915	70.0
151.07596	2.4
153.01875	3.8
153.07021	4.9
157.10118	3.6
159.08096	2.3
159.11678	3.9
161.06026	11.2
165.01843	6.1
169.10147	2.6
173.06026	3.3
173.09645	2.4
177.05472	12.6
179.03415	2.1
179.08591	2.3
181.06483	2.6
183.08067	2.5
189.05493	11.0
195.08160	3.1
197.06030	6.9
198.06786	3.5
199.07593	2.4
201.05492	3.1
201.09129	3.1
203.07065	7.3
204.07788	9.0
207.06491	3.6
209.06036	2.8
209.09618	2.1
211.07646	6.0
212.08348	3.3
213.05449	3.7
213.09108	2.2
214.06235	9.5
215.07001	3.2
217.05072	3.5
223.07652	2.2
225.05444	4.8
225.09044	3.0
226.06453	2.5
227.03300	4.1
227.06978	3.5
227.10699	5.6
229.05042	3.0
229.08589	5.2
239.07040	6.6
239.10687	3.0
241.05106	3.0
241.08412	2.3
242.05756	9.5
243.06319	8.1
243.10252	2.3
249.12811	2.3
251.10680	3.0
253.05051	12.6
253.08434	3.0
255.10214	2.7
255.13834	2.9
256.07245	2.7
257.08118	5.6
261.09039	3.6
263.10706	2.5
265.12225	2.1
267.06720	12.1
267.10089	6.9
267.13602	2.4
268.14529	2.2
269.04456	2.4
269.07791	2.2
270.05347	3.6
275.10660	3.8
276.07776	3.0
277.08521	3.7
279.06366	8.9
279.10104	2.8
280.07001	2.5
281.04510	7.9
281.07666	3.2
281.15375	4.3
283.06091	5.5
285.07620	17.0
287.05508	100.0
291.10120	8.0
293.08295	2.6
295.05954	7.0
295.09360	2.7
297.07605	4.4
298.04770	4.6
299.05624	34.7
299.09021	5.5
299.16400	3.2
300.06195	4.7
303.09930	16.7
303.13531	3.5
304.07181	2.7
304.10794	2.2
305.08154	2.5
305.11517	2.6
307.05933	2.7
307.13431	2.7
310.08334	3.1
311.05508	10.9
311.08893	3.6
312.06143	2.8
313.07104	54.2
315.08658	7.1
317.07184	5.5
317.11746	3.2
319.09637	9.9
321.11139	2.7
325.07074	6.7
327.08435	9.4
329.06638	29.5
329.11264	3.3
331.09579	11.7
331.13251	4.2
333.07477	3.9
333.11182	2.8
335.08636	2.8
335.12622	2.2
337.10510	2.4
339.08829	7.3
341.11551	2.5
343.09406	2.8
345.11057	3.8
347.08655	10.8
347.12769	3.6
348.09912	6.6
349.10681	4.7
351.08557	2.7
353.06674	10.6
356.10153	2.7
359.08456	3.5
359.12637	4.4
361.10748	3.4
362.11517	15.1
363.12347	19.1
363.16504	3.0
365.10190	4.3
371.12381	2.4
371.16510	7.1
373.14346	3.9
375.12344	4.8
380.12509	8.9
381.13242	9.4
383.07666	6.3
389.13623	3.0
391.15344	8.6
395.07990	3.4
399.16013	9.3
403.19028	2.8
413.08652	6.8
413.17337	2.9
417.16821	3.6
431.09460	4.4
431.18790	29.2
449.10355	4.9
449.19928	49.6
449.26263	2.5
449.29025	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	449.1961
Annotation	Prenylcandidusin B
Peak:m/z	Relative Intensity
55.01844	0.4
55.05493	0.7
56.01543	0.3
65.03930	0.5
66.47946	0.3
67.05479	1.2
69.07066	1.8
69.07376	0.3
71.27663	0.5
79.05454	1.2
81.07024	1.2
81.44761	0.3
83.04962	0.7
91.05494	3.1
93.07052	1.8
94.34074	0.3
95.04977	2.0
95.08586	0.6
96.90467	0.3
97.06550	1.9
105.07031	2.7
107.08620	1.6
109.06522	0.6
109.10130	0.4
115.05428	0.6
117.06963	1.0
119.04894	1.2
119.08601	0.8
121.06460	1.0
121.10139	0.5
122.02716	0.4
123.08033	1.0
124.67283	0.3
127.67817	0.3
128.06218	0.5
129.06978	1.3
130.07784	0.5
131.08562	3.8
133.06467	0.7
133.10120	0.4
135.04417	0.7
135.08052	5.1
135.11613	0.4
137.02332	0.6
137.05971	0.5
141.06950	0.9
142.07745	0.9
143.08549	3.3
145.06485	0.8
145.10078	1.1
145.31209	0.4
149.09587	0.5
151.03905	26.9
153.01822	0.7
153.06934	0.6
154.07823	0.4
155.08507	1.2
156.09303	0.4
157.06412	0.5
157.10086	1.1
159.08055	0.9
159.11681	1.6
161.06004	4.0
161.09567	0.4
163.03908	1.0
165.01761	0.7
165.07014	1.1
167.07045	0.3
167.08571	0.7
168.09355	0.6
169.10110	1.4
170.10907	0.6
171.08025	1.0
171.11700	0.5
173.09589	1.0
173.13222	0.5
177.05460	1.3
179.08592	1.0
180.09360	0.5
181.10103	0.4
183.08032	0.5
185.09567	0.6
185.13220	1.5
187.11147	0.7
189.05455	5.6
191.07060	0.6
193.10173	0.5
195.08044	0.9
195.11687	0.7
196.08772	0.4
197.09618	0.5
199.07556	0.4
201.05421	1.0
201.09114	0.6
201.12717	1.3
203.07040	4.4
203.99695	0.4
206.10930	0.5
207.06512	4.7
209.13330	0.7
211.11069	0.4
213.12729	4.0
215.07080	1.0
217.04913	0.7
217.08626	1.2
221.13358	0.6
225.12808	0.5
227.06946	0.4
235.11147	0.4
237.12750	1.0
239.06953	0.9
241.04756	0.4
241.08461	0.7
247.11172	0.5
249.09077	0.4
250.09950	0.6
253.08630	2.0
254.09113	0.5
255.10219	2.0
263.10706	0.4
264.07944	0.4
265.08667	0.8
265.12231	1.0
267.06992	0.6
267.10098	4.9
269.11832	0.4
271.05969	0.4
277.08502	0.5
279.10138	0.9
281.11798	0.4
287.05536	12.5
291.10165	1.2
293.08615	0.5
293.11606	1.9
295.06061	0.6
297.11426	0.7
299.05521	4.6
299.08765	0.5
300.06555	0.4
303.10251	0.7
305.11719	1.3
309.11197	0.4
311.05576	0.8
313.12469	0.4
319.09854	0.6
319.13297	3.7
321.11194	0.8
325.06796	0.7
329.06647	2.8
329.11700	0.9
331.09720	0.4
331.13336	0.9
333.11185	0.9
336.10095	0.7
339.08554	0.5
341.11649	0.6
343.17096	0.6
345.14792	0.4
347.12970	2.2
347.16565	0.7
353.06503	1.2
355.13080	0.4
356.14050	1.1
361.14041	0.6
361.17981	1.5
371.16376	3.7
374.15329	0.6
377.06366	0.5
383.07687	0.6
389.17484	50.5
390.17862	1.5
395.07623	1.1
413.08853	0.7
417.16949	8.3
431.18372	1.5
449.19604	100.0
450.19824	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1939
Annotation	Prenylcandidusin B
Peak:m/z	Relative Intensity
52.28712	0.6
56.01347	0.5
56.96560	1.2
67.05514	0.9
69.19271	0.6
70.96367	0.7
81.07066	0.8
91.05478	1.6
93.07048	1.3
95.04962	1.0
95.08611	0.8
99.72282	0.5
105.07023	1.2
119.08620	1.0
131.08546	0.5
135.04411	5.0
137.02376	1.2
149.23737	0.5
153.01828	1.4
165.01804	1.5
203.07219	0.7
251.06870	0.6
257.08218	0.8
283.06100	0.7
287.05508	25.8
291.06287	8.0
299.05475	7.9
300.06290	2.0
301.07410	0.7
311.05679	1.5
313.07166	0.7
325.07141	1.9
327.07074	1.0
329.06454	5.9
339.08884	0.9
353.06595	2.4
383.07602	1.5
395.07608	1.5
405.17618	0.7
413.08826	1.3
431.09512	1.6
431.15720	1.8
437.08868	0.7
449.19421	100.0
450.19714	3.1
467.19077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	28.4
67.05502	3.2
68.99810	1.3
69.31445	1.2
79.05490	2.3
81.07068	2.8
82.50620	1.4
84.96019	2.0
85.02932	1.6
91.05465	4.0
93.07058	2.0
95.08598	2.7
105.07080	2.1
107.08581	3.4
119.01691	1.6
119.08559	2.5
121.10159	1.6
133.10089	1.3
135.04443	3.5
137.02391	4.1
147.36508	1.1
148.90974	1.3
151.03903	3.3
151.70135	1.3
153.01863	3.2
163.04039	1.4
165.01881	4.8
167.03415	1.7
177.05786	1.7
179.03574	1.6
183.03111	3.1
184.43689	1.6
211.02792	1.7
213.00761	1.4
219.54330	1.5
227.03850	2.2
238.63107	1.1
239.03770	1.5
241.05370	1.5
242.05614	2.4
245.04703	2.4
253.05496	1.7
255.03290	4.5
257.04861	3.1
259.02756	2.2
259.06476	3.8
271.06442	3.3
273.04419	9.5
273.07065	1.2
275.05847	1.9
281.04874	1.9
283.02789	1.4
283.05942	2.9
284.03726	1.9
285.04233	2.6
287.05511	75.2
288.06012	2.4
289.07596	2.4
291.05396	3.1
295.06406	3.5
296.03610	1.7
297.04385	2.6
297.07614	2.8
299.05582	25.2
299.09009	2.2
300.06277	4.4
301.07507	4.0
303.09177	2.2
307.06171	2.6
311.05643	4.4
311.09131	2.1
313.07251	3.0
315.05466	13.0
315.08801	2.6
316.06140	1.4
317.07068	2.6
317.10611	2.1
325.07138	6.7
327.05328	3.8
327.10687	2.2
329.06549	22.3
333.06345	6.5
337.11227	2.5
339.05298	2.1
339.08948	3.7
341.10690	2.0
345.06638	1.8
345.11502	1.9
353.06549	9.8
361.14755	5.1
363.08578	1.5
365.06561	3.5
367.08450	3.8
371.13129	1.6
375.12704	1.9
379.15845	2.7
383.07523	3.2
383.11807	2.6
385.14752	3.4
387.16330	77.6
388.16614	1.8
389.14383	2.1
393.13510	3.8
395.07568	5.2
401.13983	1.6
403.15872	3.8
405.17410	67.9
406.17676	2.5
413.08759	4.9
413.14304	8.8
419.15082	2.8
423.18369	1.7
428.19067	10.2
431.15427	100.0
432.15714	2.5
449.11496	17.3
449.16721	3.6
472.17914	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.5
56.96569	24.8
62.71519	1.2
67.05502	3.8
69.07083	1.5
71.58132	1.2
74.01526	1.2
79.05488	3.8
81.07062	3.5
84.96038	3.1
91.05486	9.1
93.07040	4.8
95.04986	1.6
95.08593	3.4
105.07038	3.4
107.08633	2.9
108.06465	1.3
109.10198	3.7
119.08569	2.6
131.08546	2.4
131.53284	1.5
133.10109	1.7
135.04437	3.8
135.11757	2.0
137.02441	2.9
143.08566	1.6
145.10194	2.4
147.04343	2.2
149.02271	1.8
151.03903	11.4
153.01826	3.8
159.11700	1.6
165.01877	3.9
177.05577	2.3
179.00162	1.8
179.03659	1.9
183.03285	3.7
203.07091	3.0
227.03534	1.4
241.05316	2.5
242.05618	3.3
245.04832	3.9
249.04413	1.7
255.03268	4.1
257.04941	2.6
257.08142	2.2
259.02744	3.1
259.06360	3.0
271.06406	4.7
273.04358	8.9
275.06067	2.0
277.07578	2.4
279.03375	1.5
283.06192	2.3
284.03558	1.7
285.07916	1.5
286.04916	3.0
287.05518	94.7
288.05936	1.7
291.05450	2.1
295.06305	3.2
296.06186	1.8
297.04373	2.9
297.07767	4.0
299.05548	29.5
299.09076	2.5
300.06198	6.5
301.07556	2.9
303.05276	1.6
307.06396	3.9
309.07843	3.0
311.05569	6.9
311.09061	2.7
313.07266	4.5
315.05380	14.7
315.08661	3.1
316.05881	2.2
317.10797	2.7
321.07944	2.1
323.09467	2.6
325.07159	6.3
327.05396	4.6
329.06604	21.2
333.06573	6.0
337.07382	1.9
339.08734	4.7
341.10501	2.1
345.06604	3.9
353.06558	10.0
361.10837	2.1
361.14816	5.2
365.10489	3.1
367.08536	3.1
375.13034	1.8
383.07626	3.8
383.11880	3.2
385.14441	2.2
387.16309	69.2
388.16470	2.8
389.14008	2.7
393.13971	2.8
395.07431	4.1
403.15900	4.8
405.17410	67.2
413.08636	5.3
413.14279	8.7
419.15033	2.8
423.18347	1.7
428.18976	10.4
431.15390	100.0
432.15631	4.1
449.11777	14.1
449.17346	6.2
455.31561	1.5
472.17746	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	449.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
55.05497	0.7
56.96544	1.1
57.03393	0.6
65.03922	1.0
67.05478	1.7
68.99757	0.9
69.03417	1.0
69.07056	1.1
71.58103	0.9
79.05465	1.4
81.03379	0.8
81.07033	1.7
83.04989	0.7
85.02879	1.2
87.35490	0.6
89.03894	0.8
91.05482	6.2
93.07033	1.2
95.01342	0.7
95.04933	0.7
95.08579	1.7
97.06499	1.8
97.18258	0.6
98.97562	0.8
103.05412	1.7
105.07001	2.4
107.08562	1.4
113.96824	0.6
115.05437	0.8
118.04148	1.1
119.04963	5.4
119.08553	1.0
121.02890	3.0
121.06538	0.7
121.10144	0.7
123.00793	4.6
127.03886	0.7
129.06978	2.1
131.04929	2.7
131.08641	0.7
133.06427	0.7
135.04399	2.4
137.02298	1.2
137.05945	1.9
139.05400	0.9
141.06949	2.2
145.10110	1.2
146.03642	7.0
147.04411	6.6
148.05022	0.8
152.01050	0.9
153.01831	3.2
157.06499	8.3
161.02354	1.0
161.05971	7.2
162.06573	0.7
163.03899	0.9
163.07541	1.9
165.01807	2.6
167.03490	0.8
167.04906	1.2
169.06474	3.7
171.02992	0.6
183.02969	0.7
185.05949	1.7
195.04408	4.4
197.06001	3.1
213.05450	2.5
215.06998	3.3
225.05418	1.8
226.06261	3.9
241.04968	100.0
242.05557	3.7
254.05856	0.8
255.06541	1.1
267.06525	1.7
269.04468	40.9
270.05222	17.0
270.08182	0.7
271.06033	27.6
272.06580	1.0
281.04538	0.8
283.06030	1.8
286.04663	0.9
287.05527	40.6
288.05789	1.1
295.06097	0.7
297.07596	1.3
299.05505	18.1
300.06235	3.4
301.07031	1.2
311.05569	2.4
311.09000	0.8
313.07062	0.7
325.07254	4.1
329.06567	12.7
339.08502	3.0
353.06506	5.4
365.06610	2.1
377.06528	1.3
383.07593	4.1
395.07693	2.3
413.08746	4.0
419.11362	5.9
431.02637	0.9
431.11292	42.6
449.12317	65.5
450.12595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1236
Annotation	Artonin P
Peak:m/z	Relative Intensity
55.01852	0.9
55.05497	0.7
56.96544	1.1
57.03393	0.6
65.03922	1.0
67.05478	1.7
68.99757	0.9
69.03417	1.0
69.07056	1.1
71.58103	0.9
79.05465	1.4
81.03379	0.8
81.07033	1.7
83.04989	0.7
85.02879	1.2
87.35490	0.6
89.03894	0.8
91.05482	6.2
93.07033	1.2
95.01342	0.7
95.04933	0.7
95.08579	1.7
97.06499	1.8
97.18258	0.6
98.97562	0.8
103.05412	1.7
105.07001	2.4
107.08562	1.4
113.96824	0.6
115.05437	0.8
118.04148	1.1
119.04963	5.4
119.08553	1.0
121.02890	3.0
121.06538	0.7
121.10144	0.7
123.00793	4.6
127.03886	0.7
129.06978	2.1
131.04929	2.7
131.08641	0.7
133.06427	0.7
135.04399	2.4
137.02298	1.2
137.05945	1.9
139.05400	0.9
141.06949	2.2
145.10110	1.2
146.03642	7.0
147.04411	6.6
148.05022	0.8
152.01050	0.9
153.01831	3.2
157.06499	8.3
161.02354	1.0
161.05971	7.2
162.06573	0.7
163.03899	0.9
163.07541	1.9
165.01807	2.6
167.03490	0.8
167.04906	1.2
169.06474	3.7
171.02992	0.6
183.02969	0.7
185.05949	1.7
195.04408	4.4
197.06001	3.1
213.05450	2.5
215.06998	3.3
225.05418	1.8
226.06261	3.9
241.04968	100.0
242.05557	3.7
254.05856	0.8
255.06541	1.1
267.06525	1.7
269.04468	40.9
270.05222	17.0
270.08182	0.7
271.06033	27.6
272.06580	1.0
281.04538	0.8
283.06030	1.8
286.04663	0.9
287.05527	40.6
288.05789	1.1
295.06097	0.7
297.07596	1.3
299.05505	18.1
300.06235	3.4
301.07031	1.2
311.05569	2.4
311.09000	0.8
313.07062	0.7
325.07254	4.1
329.06567	12.7
339.08502	3.0
353.06506	5.4
365.06610	2.1
377.06528	1.3
383.07593	4.1
395.07693	2.3
413.08746	4.0
419.11362	5.9
431.02637	0.9
431.11292	42.6
449.12317	65.5
450.12595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55807	2.6
55.05504	5.3
55.10680	2.0
57.07077	21.5
59.77872	2.6
65.03924	7.3
67.05503	4.6
69.64925	11.6
79.05490	3.1
83.04984	53.0
83.08607	2.0
83.85424	2.0
85.96719	2.1
91.05457	8.2
93.07024	2.9
98.98475	6.4
105.07035	5.1
107.04920	2.1
129.06995	4.3
135.04405	4.9
137.02347	5.0
137.05841	3.1
141.06958	5.3
147.11678	5.4
151.01540	6.9
153.01801	4.6
163.01501	4.1
165.01788	4.5
175.01564	7.8
215.03094	4.1
227.03128	84.3
229.04793	3.9
230.05394	2.7
242.05440	11.3
243.06290	36.9
260.99149	4.7
287.05496	95.4
299.05566	39.1
300.06131	4.8
311.05447	5.8
325.07098	5.4
329.06570	26.8
337.02377	54.4
339.08655	7.5
353.06503	13.9
365.06491	4.2
377.06631	2.7
383.07635	8.2
393.08624	100.0
395.07568	6.5
405.13031	26.1
413.08597	8.1
431.10675	19.3
449.11844	70.5
449.19281	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	449.1081
Annotation	Homoorientin
Peak:m/z	Relative Intensity
68.99805	1.2
70.58899	2.0
70.59241	1.3
79.01859	4.3
79.86786	0.8
81.03413	2.3
85.02903	2.2
89.57108	1.0
93.03378	0.9
109.02866	1.4
121.02892	1.0
123.00809	0.9
135.04395	5.0
137.02351	20.2
137.03406	1.9
139.82761	1.0
141.01894	1.4
149.02408	1.9
161.02382	3.6
163.03909	2.7
165.01826	10.2
167.03497	1.4
177.01794	1.1
179.03452	1.8
183.02904	2.1
187.03967	1.3
191.03421	1.9
203.03500	1.9
205.04875	1.4
206.98212	0.9
213.05490	3.1
215.03568	1.1
217.05045	4.0
219.77997	1.0
227.07208	1.4
229.05035	5.1
233.04456	1.5
241.04982	2.1
243.02953	3.3
243.06638	2.4
244.07277	1.2
253.88029	0.9
259.06076	4.7
261.04202	2.0
271.06000	9.1
272.06778	10.8
275.05551	0.9
283.06042	3.2
284.06857	1.6
286.04718	1.2
287.05530	21.1
295.06042	2.2
297.07645	1.5
299.05524	91.1
300.06290	39.9
301.07050	5.2
309.07788	1.5
311.05548	18.1
311.08920	1.1
313.07071	23.1
323.05518	1.7
324.06442	3.0
325.07043	9.2
327.05008	2.1
327.08743	1.0
329.06589	100.0
330.06931	3.1
337.07126	2.0
339.04990	2.7
339.08633	21.2
341.06543	4.3
343.08212	1.3
349.06924	1.3
353.06610	26.2
354.07489	1.4
359.07651	5.0
365.06512	2.7
367.08118	7.1
371.07547	2.3
377.06741	1.2
383.07651	17.4
395.07620	13.2
413.08701	30.8
414.09161	1.5
431.09766	51.1
449.10852	65.8
450.11255	2.4
450.98526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03404	1.4
61.02892	0.5
66.16794	0.3
67.01858	0.5
68.99789	0.5
69.03413	0.6
69.42034	3.2
73.02917	2.7
85.02888	0.9
91.05470	0.5
93.07013	0.5
98.20673	0.7
107.12830	0.4
135.04459	1.9
137.02357	1.2
153.00710	0.5
153.01846	7.1
156.32623	0.4
161.02290	0.5
165.01891	0.5
217.04884	0.5
229.04944	0.8
231.02744	0.4
241.05101	0.4
245.04552	0.6
246.05173	0.6
257.04282	0.5
259.06097	0.4
269.04343	0.4
271.05930	0.4
273.03946	0.4
274.04883	0.6
283.06009	0.4
285.04123	1.0
287.05521	100.0
288.05832	2.5
299.05530	4.2
300.06122	0.9
302.04224	2.5
303.05029	1.6
307.93341	0.4
311.05560	0.9
317.06577	21.4
318.06891	0.5
325.06906	0.9
329.06519	3.8
339.08722	0.9
341.06400	0.4
353.06586	1.6
365.06631	0.5
383.07629	1.0
395.07816	0.9
413.08755	1.4
431.09821	0.9
449.10870	15.8
450.11371	0.9
458.80917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
66.18401	0.1
67.01860	0.5
68.99792	0.4
69.31066	1.2
89.03896	0.2
105.93826	0.1
117.03384	0.3
129.01906	0.1
135.04414	1.9
137.02332	0.6
153.01833	5.2
161.02356	0.6
171.02873	0.3
179.03369	0.2
190.00349	0.1
213.05475	0.2
241.04974	0.6
269.04538	0.4
287.05502	100.0
288.05838	2.2
329.06693	0.2
449.10950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03936	0.6
55.01878	0.3
57.03430	0.9
61.02915	1.1
61.44014	0.3
68.93008	0.2
68.99781	0.8
69.03425	2.9
70.69719	0.7
71.05003	0.5
73.02901	0.6
75.53345	0.3
81.03416	1.3
85.02911	9.4
87.04477	0.4
91.03939	0.4
97.02899	2.9
98.20863	0.3
99.04453	0.6
105.03328	0.3
107.04937	0.7
109.02881	0.8
109.49928	0.3
111.00800	1.2
121.02869	2.6
127.03922	1.7
133.02922	0.4
137.02315	0.9
145.04958	1.3
147.04420	0.3
153.01828	4.9
157.06534	0.4
165.01872	2.2
171.04463	0.3
183.02876	0.8
185.05978	0.4
213.05415	1.7
231.06532	0.8
232.76440	0.3
241.04999	1.0
258.05240	1.3
259.06018	0.5
287.05502	100.0
288.05841	3.1
299.05496	1.2
315.11014	0.3
315.78244	0.3
322.24585	0.3
325.06961	0.4
329.06604	0.8
395.07739	0.3
473.38571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Homoorientin
Peak:m/z	Relative Intensity
54.17205	0.7
68.99789	1.9
70.90890	1.6
81.03410	1.0
85.02908	2.3
86.82947	0.8
91.35274	0.7
97.02866	1.0
98.21624	0.8
100.01818	0.8
109.02873	1.6
109.10266	0.9
121.02860	2.0
121.04867	0.9
123.00792	1.3
135.04408	3.2
137.02354	6.2
141.01833	1.4
149.02315	2.7
161.02365	2.8
163.03880	3.2
165.01839	14.9
167.03366	3.1
177.01903	1.9
179.03400	1.3
183.02927	4.3
187.03963	1.5
189.01823	1.0
195.02974	1.6
203.03415	0.9
205.05080	0.9
245.04456	0.9
255.06429	1.1
272.06805	1.1
283.06070	6.7
286.04623	3.2
287.05533	6.1
297.07538	6.5
299.05518	100.0
300.06155	7.9
311.05637	10.2
311.09000	1.8
313.07040	2.8
321.07605	2.1
323.05353	2.0
324.06174	2.2
325.03494	2.0
325.07065	21.7
327.05133	1.0
329.06586	63.5
330.06876	1.3
337.06924	2.2
339.04764	1.3
339.08636	13.5
349.07135	4.2
353.06589	36.1
365.06607	11.7
367.08066	3.2
377.06543	8.6
383.07614	15.6
395.07660	16.7
413.08615	15.6
431.09827	8.2
449.10745	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	449.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05526	0.5
56.96570	7.8
57.03444	1.9
59.04535	0.5
61.02932	1.0
69.03435	3.6
69.07090	0.6
69.82603	0.7
69.83016	2.0
71.05004	0.6
71.95301	0.5
72.08170	0.8
73.02930	2.3
73.06570	0.7
81.03436	1.3
84.08165	0.5
84.96056	1.3
85.02914	6.3
86.09705	0.5
87.04475	0.8
92.96498	0.5
97.02900	3.2
97.99149	0.4
98.97598	24.2
99.04459	0.9
101.00887	0.6
102.09213	0.5
102.96886	0.7
109.02917	0.9
110.09761	0.6
110.97579	5.5
112.92278	0.6
112.99147	1.8
115.03983	0.8
116.98645	7.3
119.01959	1.0
124.99197	0.7
127.00710	0.5
127.03931	1.5
128.98616	4.7
130.08647	0.8
130.93318	4.2
131.00185	1.6
131.01828	0.6
133.01749	0.5
134.99664	1.7
137.05981	1.2
143.00171	1.7
143.01932	1.2
145.01768	1.0
145.04980	1.5
146.99649	1.6
147.03325	0.7
147.04439	1.2
148.94373	1.0
149.01233	0.8
152.98595	0.5
154.93300	16.0
155.00174	0.5
155.01892	0.9
155.04697	1.3
157.01688	0.5
157.03464	0.5
158.92792	0.7
158.99696	4.9
161.01207	1.0
161.03003	1.3
161.04796	0.5
161.45305	0.5
163.04094	0.6
170.99670	1.0
172.94380	17.5
173.01241	1.6
173.02907	0.7
173.06589	1.1
175.02850	1.1
177.00739	4.0
178.04953	0.4
180.54254	0.4
182.92767	0.6
184.94435	0.8
185.06657	0.7
186.95920	1.1
187.02733	0.6
188.93736	0.6
188.99144	0.4
189.00739	1.6
189.02763	0.4
189.04405	1.3
190.95425	9.0
191.02136	0.9
196.09541	1.2
196.94357	17.4
197.01358	0.6
197.06549	0.6
198.96002	2.9
200.93832	1.2
201.00757	0.8
202.95428	1.0
203.02367	0.5
203.07687	0.8
205.05467	0.7
206.94801	0.6
208.94344	2.8
208.96422	1.9
213.94466	0.5
214.95424	74.4
216.97075	3.9
218.94907	1.3
219.01854	4.6
221.05156	0.7
222.07387	0.5
222.95854	0.9
224.97525	1.4
226.95439	14.5
228.96989	2.9
230.06944	0.5
230.98540	0.9
232.96483	100.0
234.98085	0.7
237.02826	6.9
237.97055	0.9
240.96974	5.1
242.94885	1.9
242.98529	3.5
244.96512	14.8
245.00127	1.6
246.98061	4.2
250.95024	0.9
250.97556	16.1
255.98056	1.8
256.96500	18.2
258.98080	8.9
260.04858	0.6
260.96054	2.4
260.99545	4.0
262.97638	2.5
263.01199	2.8
268.96469	8.7
272.58508	0.5
272.99564	0.5
274.97537	15.5
275.00647	0.9
276.99228	2.0
281.02533	0.6
286.97592	20.1
287.01050	2.5
287.05481	0.9
291.07483	1.8
292.98511	1.6
293.10703	1.3
297.98865	0.5
298.97543	6.7
304.98538	6.7
305.02133	1.5
309.08716	3.2
309.99182	0.6
316.18625	0.5
316.98648	16.1
317.02020	0.7
317.04984	0.9
322.61005	0.8
323.10172	0.8
324.10721	0.4
329.02271	2.9
334.99652	15.3
335.06345	1.2
339.09695	0.6
344.07312	0.6
347.03174	2.1
353.00650	0.7
354.11688	0.9
359.03247	0.6
363.13318	1.0
365.04184	0.8
389.04376	16.8
390.17664	0.6
405.14331	0.9
407.05423	48.5
425.06519	12.7
430.06882	1.7
431.13858	0.8
439.14975	0.7
449.06342	40.0
449.16010	5.3
449.22104	1.5
450.06583	0.6
467.07605	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	448.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05334	0.4
55.05508	1.2
57.03442	0.7
57.06739	0.4
69.03445	2.0
70.06598	0.6
71.46465	0.7
72.08167	0.5
79.05494	0.7
81.07073	1.7
85.02929	1.9
86.09697	0.6
87.04470	1.0
95.04955	0.4
97.02901	0.8
97.05271	0.4
98.09702	0.4
98.97609	0.4
108.08106	0.8
109.02895	0.6
109.06521	1.5
110.06055	0.7
111.06850	0.5
115.03924	0.6
124.07612	0.8
126.09157	1.9
131.04953	0.9
132.05232	0.4
133.04956	0.6
137.02367	0.5
137.06009	0.5
138.09193	0.5
139.06273	1.1
140.47606	0.4
154.08643	100.0
155.08952	0.8
164.07933	0.5
165.09161	0.6
166.08632	0.7
189.55721	0.3
196.72382	0.3
200.12901	1.3
237.69278	0.3
287.05450	1.8
299.05530	0.8
303.05035	3.7
316.13889	0.9
329.06757	0.8
404.13303	0.9
430.16919	0.6
448.12418	1.9
448.16977	1.7
471.88464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81589	0.5
55.19270	0.6
56.05005	1.2
57.05807	0.9
60.05616	1.4
65.64922	0.6
70.06584	0.9
70.99885	1.3
83.06080	2.1
85.02885	1.5
91.05461	0.9
97.02892	0.6
98.07207	0.6
99.05618	0.7
103.75661	0.5
104.04964	0.7
105.03370	2.3
105.05782	1.1
106.06545	1.4
111.05569	6.5
113.07107	1.2
120.04472	16.9
123.05518	1.7
124.05074	0.7
124.07635	0.8
126.06642	10.9
127.03886	0.8
127.07381	1.0
132.04454	23.3
132.08028	0.9
134.06030	9.6
137.04672	2.1
140.07121	0.7
140.08167	1.5
143.26151	0.6
145.04045	1.0
146.02367	0.7
151.06163	10.5
154.08632	10.7
159.12732	0.6
161.07101	0.7
168.08791	2.6
170.90268	0.6
177.47887	0.6
181.04118	0.6
185.07115	0.8
202.09761	16.5
216.11365	3.7
230.07074	0.8
230.09233	9.8
231.12411	1.1
232.10799	4.7
236.05920	0.6
242.09259	4.3
257.10367	4.9
259.11914	82.9
260.12149	1.7
277.13025	2.0
284.11432	9.4
287.05630	1.3
301.14114	9.6
302.12479	29.0
303.12759	0.8
319.15173	2.2
362.18262	0.9
406.17218	14.2
406.22473	1.3
430.18338	2.1
431.16833	1.1
448.19412	100.0
449.19656	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	448.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
65.03955	0.3
69.80181	1.4
73.02920	0.7
79.05507	0.4
81.03432	0.4
81.07034	0.2
85.02919	0.5
91.05483	0.3
93.07027	0.3
95.01349	0.2
97.02901	0.4
103.47255	0.2
105.07053	0.5
107.04957	0.6
108.05283	0.3
118.47144	0.2
121.02876	0.3
121.06509	0.4
123.00799	0.7
123.04475	0.6
124.04866	0.2
138.71895	0.2
152.01053	4.5
153.01357	2.5
154.02231	0.2
154.07320	0.4
165.01810	0.3
168.05707	0.8
169.06094	0.9
170.02132	1.2
170.06805	0.3
171.02472	0.4
180.03702	0.3
183.08063	1.9
184.08391	3.4
196.05190	0.5
197.05690	1.0
198.06273	0.4
211.07515	1.9
212.07877	2.9
213.05409	0.5
214.06070	0.7
215.06581	0.7
218.53380	0.2
225.05402	0.6
226.05870	0.7
229.08603	4.2
230.08954	7.0
239.07057	1.2
240.07327	1.6
242.05698	1.3
243.06165	1.5
253.04955	0.7
253.78081	0.3
254.05322	1.4
269.04459	0.8
270.04984	2.7
271.05597	2.2
283.06024	0.7
284.06290	2.0
285.07596	37.1
286.07922	100.0
287.05481	2.1
287.08264	1.6
299.05539	1.0
303.05011	1.1
304.05316	2.3
317.23639	0.3
329.06656	0.7
353.06415	0.5
395.07635	0.3
397.11215	0.3
431.09705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.3
69.03401	0.3
69.58470	1.0
69.58890	1.0
73.02912	0.5
80.37962	0.3
81.03406	0.5
81.07066	0.4
84.27808	0.3
85.02901	0.4
91.05461	0.3
95.08649	0.3
97.02885	0.4
98.20741	0.6
98.97636	0.3
100.52448	0.3
105.07042	0.4
107.04957	0.7
108.05337	0.3
121.06512	0.4
123.00771	0.8
123.04395	0.7
124.04751	0.7
127.03931	0.4
133.06522	0.3
137.02271	0.5
139.71236	0.3
145.01743	0.3
151.00272	0.4
152.01062	5.7
153.01379	2.7
154.07303	0.3
157.06523	0.3
168.05728	1.1
169.06062	1.1
170.02101	1.3
171.02417	1.0
175.66237	0.3
183.08034	2.5
184.08421	3.2
186.06654	0.5
187.07097	0.4
196.05173	0.4
197.05769	0.7
198.06355	0.4
211.07463	2.2
212.07887	3.4
214.06183	0.9
215.06660	0.8
218.11647	0.3
225.05348	0.8
226.05838	0.9
227.06396	0.6
229.08620	4.0
230.08934	6.8
231.09094	0.4
239.07042	1.0
240.07230	1.5
242.05775	0.7
243.06088	1.7
253.04994	1.1
254.05310	1.6
255.05815	0.5
258.08670	0.4
269.04486	0.8
270.05109	1.5
271.05588	2.2
283.06061	1.0
284.06329	2.3
285.07571	40.8
286.07916	100.0
287.05450	2.6
287.08218	1.3
299.05539	0.9
303.04947	0.9
304.05371	2.6
316.32697	0.3
329.06509	0.8
339.08725	0.4
342.07184	0.4
353.06351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.05520	14.4
56.96576	2.7
57.03437	11.7
61.82202	1.9
63.81017	1.9
65.03940	2.3
67.05167	4.4
67.05510	59.2
69.07068	15.1
69.24525	10.8
69.24949	10.8
69.29729	2.0
79.05500	29.7
81.06586	2.9
81.07063	59.2
83.04982	2.2
83.08633	5.5
85.06551	2.4
91.05485	32.4
93.07056	39.1
95.04987	6.3
95.08616	43.9
97.06519	4.5
98.98434	2.7
105.07016	17.3
107.04976	2.5
107.08593	17.6
109.06553	3.2
109.10167	22.7
111.08049	3.2
113.00028	100.0
115.05499	2.5
117.07018	7.3
119.08620	15.2
120.27208	2.2
121.06477	3.6
121.10175	20.2
123.11732	6.5
131.08575	12.1
133.10165	10.1
135.11731	12.9
137.13257	3.5
145.10132	10.1
147.11711	6.6
149.02339	4.8
149.13283	6.6
151.03903	4.7
154.02608	2.0
157.10117	3.0
159.08051	2.4
159.11708	6.6
161.05966	2.3
161.13300	4.4
163.14857	5.0
169.02640	21.6
173.13263	4.7
175.11116	2.8
175.14893	2.6
185.09534	2.6
187.03635	11.9
187.14845	4.3
203.07083	7.3
208.05362	3.7
224.04831	3.2
227.03281	3.9
239.06972	4.0
239.10687	6.2
243.21136	5.9
246.81013	2.2
261.22256	19.4
267.10156	4.4
280.03592	2.3
281.07962	3.4
285.07346	2.7
295.06073	62.1
296.06442	2.5
317.24869	5.1
335.25833	83.0
336.26343	3.1
346.27426	2.6
378.35849	2.6
384.38342	2.2
385.38345	2.4
403.15631	6.2
429.13376	4.2
447.17441	8.9
447.30765	2.4
447.42581	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	447.2144
Annotation	Nigrolineaxanthone S
Peak:m/z	Relative Intensity
60.10217	0.7
69.84270	1.5
69.84687	2.7
87.71320	0.8
93.07009	0.8
105.80895	0.6
107.08641	0.8
110.90306	0.8
227.03168	100.0
228.03555	2.0
229.05243	0.9
268.05933	1.4
304.96588	0.8
447.21490	50.9
448.22009	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	447.2145
Annotation	Formoxanthone B
Peak:m/z	Relative Intensity
53.26404	0.4
55.05510	0.7
56.96550	1.0
67.05511	1.9
67.26873	0.5
69.07085	1.0
71.57780	0.7
71.97299	0.5
79.05498	1.5
81.03424	0.6
81.07056	2.0
83.04969	0.4
83.08633	0.5
84.84547	0.5
91.05502	2.3
93.07073	1.5
93.24462	0.5
95.08614	1.3
97.10219	0.7
105.07040	1.2
107.04978	0.6
107.08614	1.3
109.10179	1.2
113.00030	1.7
119.08562	1.0
121.10238	0.8
129.07011	0.6
131.08574	0.7
133.10193	0.6
145.10172	0.5
147.11783	0.8
155.08583	0.7
187.07608	1.1
203.07089	2.2
227.03204	2.0
229.08588	0.6
267.10162	0.7
271.43155	0.5
307.09351	1.8
317.24731	0.5
335.25827	1.7
429.20895	2.5
447.21500	100.0
448.21808	2.3
465.21567	0.7
472.83353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2148
Annotation	Nigrolineaxanthone S
Peak:m/z	Relative Intensity
55.75274	0.4
56.96558	0.5
60.58015	0.4
61.03672	0.5
69.54434	1.0
69.54852	2.3
78.42419	0.4
91.05457	1.2
93.07008	0.8
105.07008	1.5
123.00874	0.5
133.10107	0.5
183.07993	0.6
187.32736	0.5
203.07065	0.6
219.77982	0.5
227.03168	100.0
228.03571	1.3
241.15614	1.3
243.10280	1.0
245.04259	0.8
255.06538	1.9
261.11200	0.6
265.08588	0.7
268.05807	1.0
283.05942	0.6
285.07721	0.6
335.55450	0.5
429.20361	2.8
447.21515	76.7
448.21918	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	447.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01863	1.5
57.07069	2.8
57.88833	1.0
59.70159	1.0
59.80388	1.2
67.05482	2.9
69.07055	1.4
69.27454	8.2
69.27866	2.5
69.92295	0.9
70.86104	1.0
79.05477	2.7
81.07036	4.9
85.02900	1.9
85.44268	1.0
86.17426	1.2
90.95540	1.1
91.05487	9.5
93.07021	2.0
95.01337	18.5
95.08588	1.8
99.04443	1.4
105.07023	4.3
107.04940	1.9
107.08597	1.5
109.06476	1.9
109.48203	1.0
115.05452	4.0
116.06231	2.8
117.07031	12.0
119.04958	10.8
119.08585	3.2
128.06210	3.6
129.06990	4.9
131.08537	3.9
133.10098	3.3
134.98256	2.3
135.04457	2.2
135.08081	12.0
141.06973	3.3
142.07759	3.8
143.08554	5.1
144.05730	8.8
145.06494	26.0
147.04367	4.0
147.08031	7.9
149.02335	4.1
149.09590	1.5
151.03893	1.4
152.06160	2.6
153.06921	3.1
153.08961	1.2
154.07733	2.2
155.08537	12.7
157.06502	3.7
157.10104	2.6
158.07141	1.2
159.04436	1.7
159.08067	52.4
159.09398	2.8
160.05156	2.0
161.02330	8.9
161.06018	7.1
165.06992	4.6
165.09149	1.1
166.07765	3.3
167.03398	2.5
167.08571	5.5
169.06462	3.5
169.10098	1.3
170.07288	2.2
171.04405	2.5
171.08092	5.7
173.06001	7.7
173.09596	3.6
174.06773	2.6
175.03944	2.3
175.07562	6.7
177.09068	2.4
179.08423	1.7
181.06503	2.9
182.07285	7.7
183.08060	15.8
184.05177	1.9
184.08852	1.1
185.05966	4.4
185.09619	10.3
187.03978	7.9
187.07556	73.9
188.08324	15.1
189.05434	3.4
189.09097	16.4
193.06456	1.7
194.07300	2.4
195.08058	17.2
196.08815	11.4
197.05951	2.2
197.09653	6.8
198.06735	6.5
199.07532	7.2
199.11148	2.4
201.05504	1.9
201.09035	5.5
203.07042	100.0
204.07602	2.3
205.05023	1.4
205.08582	2.1
208.51932	1.1
209.09689	2.3
210.06778	13.2
211.07558	8.9
212.08418	1.8
213.09123	33.8
214.06223	1.6
215.10681	3.7
217.12114	1.3
221.05946	3.5
222.06828	1.1
225.09109	53.5
226.06256	8.4
226.09738	3.6
227.07060	17.0
227.10565	6.9
229.08623	24.5
230.08981	1.3
231.10115	1.5
238.06308	2.1
239.07005	1.4
241.08586	21.2
242.09039	1.1
243.10190	35.1
244.10558	1.2
245.11746	3.0
253.08624	46.7
259.09592	10.1
260.08090	1.3
261.09280	1.2
269.08102	1.7
271.09613	13.1
299.09183	14.5
337.12207	1.4
343.13217	1.4
349.08829	1.2
351.13599	1.8
353.11740	2.3
355.13409	2.2
359.16190	1.6
361.14282	2.5
369.11014	1.6
369.15027	5.3
371.12729	2.9
371.16595	2.7
373.13791	1.3
375.12082	1.3
380.13904	1.4
381.11166	1.7
383.12402	1.6
385.14258	2.7
387.15854	3.2
389.13705	3.2
397.14267	6.9
398.15033	2.0
399.16165	6.5
401.17712	6.2
411.15952	10.9
415.15402	20.3
415.28183	2.2
417.16959	3.9
429.17029	19.0
447.17941	57.9
447.24649	7.8
448.18307	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	447.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02419	0.8
55.01848	1.6
55.05499	0.9
61.58564	0.7
63.45315	0.8
65.03931	1.8
67.01839	0.8
67.05489	0.9
68.99777	1.2
69.07022	0.9
69.65965	4.6
79.05486	2.3
79.70096	0.7
81.07044	4.1
85.02882	1.2
91.05469	10.4
93.07037	1.5
95.00757	1.6
95.01328	19.8
95.04955	1.2
95.08546	1.6
103.05434	0.8
105.03409	1.7
105.07034	4.7
107.04956	2.3
107.08549	0.8
108.85550	0.8
109.06504	3.1
115.05439	5.9
116.06252	2.5
117.07019	10.9
119.04944	10.0
119.08575	3.0
121.02822	1.4
123.00789	0.9
123.04466	0.8
128.06212	3.6
129.07011	7.1
131.04874	1.5
131.08548	3.4
133.02855	1.8
133.06468	1.4
134.98218	0.9
135.04391	3.4
135.08046	10.8
141.06987	2.9
142.07774	4.8
143.08563	3.9
144.05711	8.7
145.06487	24.6
147.04390	4.1
147.08060	7.9
149.02335	2.8
151.03856	0.9
152.06209	3.0
153.06960	2.3
154.07764	3.2
155.04909	1.5
155.08557	10.2
157.06483	3.4
157.10127	3.3
158.07301	1.4
159.04427	1.6
159.08057	59.8
160.05219	1.6
160.08319	0.9
161.02359	8.0
161.05998	7.4
161.09671	1.1
163.03874	1.6
165.07007	7.3
166.07796	3.6
167.03418	2.6
167.08565	8.8
168.05771	0.7
169.06447	4.5
169.10104	1.5
170.07193	1.4
171.04364	2.0
171.08028	4.4
172.08763	1.2
173.05998	10.5
173.09648	2.6
174.06757	3.0
175.03903	2.7
175.07541	9.0
177.09099	3.0
179.08591	2.6
181.06461	3.7
182.07297	8.9
183.04416	2.4
183.08043	11.4
184.05205	1.3
184.08861	1.5
185.06003	5.6
185.09616	10.3
187.03963	7.1
187.07547	35.4
187.11176	1.1
188.08318	18.8
189.05484	4.5
189.09088	17.6
193.06464	1.6
194.07356	2.5
195.08060	13.5
196.08775	5.2
197.05928	2.3
197.09608	7.9
198.06801	7.8
199.03918	1.1
199.07515	9.6
199.11230	2.2
201.05479	1.9
201.09105	5.8
203.07031	100.0
204.07503	4.1
205.04926	2.7
205.08575	2.9
209.06033	1.6
209.09633	2.3
210.06734	14.9
211.07549	12.1
212.08318	3.2
213.05505	1.9
213.09100	37.2
214.06325	1.2
214.09523	1.0
215.07056	1.2
215.10683	2.7
217.05011	1.9
221.06010	7.0
223.07504	2.1
225.09103	66.2
226.06253	11.3
226.09752	4.7
227.07048	19.5
227.10547	8.6
228.07434	2.1
228.11513	2.0
229.08600	34.9
230.08955	1.1
231.10103	2.7
238.06172	1.6
239.07048	1.9
240.11272	0.8
241.08588	21.9
242.09044	1.8
243.10170	36.6
244.10524	1.2
245.11697	6.1
253.08601	53.4
254.08940	1.4
257.08020	0.9
259.09604	10.9
261.09180	1.1
269.08185	2.2
271.09610	12.8
275.10666	1.4
287.10733	1.0
293.07986	1.1
298.10181	1.0
299.09058	11.5
319.11237	1.3
325.12421	0.9
327.13959	0.9
330.12604	0.9
337.12207	1.4
339.10138	1.1
341.11658	1.0
343.13245	1.3
351.13788	2.6
353.08060	1.1
353.11783	3.7
353.15466	1.1
354.12543	1.0
355.13254	1.3
357.11075	1.3
359.16568	1.5
361.14352	2.5
365.11758	1.4
367.13483	1.0
369.11069	2.0
369.14929	5.1
371.12833	2.5
373.18024	0.9
379.13248	1.0
381.11200	3.0
383.12598	2.2
383.16489	3.4
384.13370	1.2
385.14288	2.2
386.14932	1.6
387.15836	2.3
389.13773	2.3
393.14954	0.8
397.14270	5.4
398.14938	3.1
399.11511	0.9
399.16373	3.6
401.17560	8.7
402.17831	1.3
411.15891	9.2
412.16711	0.9
415.10486	1.0
415.15454	14.9
416.15781	2.4
417.16888	3.8
429.17010	20.4
430.17212	1.1
432.15469	0.8
447.18024	64.6
447.24786	2.2
448.18228	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	447.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
69.03438	1.7
69.07050	2.1
69.22709	14.0
69.90920	1.2
79.05504	1.3
81.07039	3.9
83.68824	1.2
86.15321	1.1
91.05491	10.2
93.07024	1.7
95.01337	23.0
95.08612	1.7
98.21439	3.0
105.07033	4.7
109.06512	2.6
115.05472	4.7
116.06200	1.9
117.07028	10.0
119.04959	11.9
119.05726	1.6
119.06110	1.6
119.08571	4.6
121.06570	1.8
126.92310	1.4
128.06235	1.7
129.07007	4.9
131.04935	1.9
135.08049	12.3
141.06998	3.3
142.07794	3.5
143.04906	1.4
143.08595	2.3
144.05727	5.9
145.06496	29.1
146.06812	1.2
147.04388	3.2
147.08090	6.7
149.02357	2.5
152.06229	2.5
153.07043	1.6
154.07790	1.7
155.08557	9.4
157.06548	2.4
157.10132	3.1
158.07272	2.0
159.08060	30.4
161.02344	8.9
161.05983	7.7
161.09622	1.3
163.03883	2.3
165.06995	4.3
166.07811	1.6
167.03441	1.6
167.08595	5.6
169.06461	1.7
171.08121	6.0
173.05984	8.1
173.09618	2.1
174.06767	1.7
175.03883	3.0
175.07535	6.3
177.09038	1.6
179.08519	2.2
182.07326	4.6
183.04411	3.2
183.08098	8.9
185.06000	5.2
185.09610	7.5
187.03946	5.1
187.07538	15.4
188.08356	9.9
189.05473	2.5
189.09094	16.8
194.07256	2.8
195.08052	14.5
196.08853	6.6
197.06082	2.7
197.09654	6.9
198.06807	5.2
199.07544	5.6
199.11105	1.6
201.05542	2.0
201.09129	3.2
202.92307	1.4
203.07040	100.0
204.07504	1.9
205.08534	1.8
207.04362	1.6
209.09633	1.6
210.06760	9.9
211.07538	7.7
212.08302	2.0
213.09125	33.0
215.10732	2.3
221.06006	4.1
223.07652	1.8
225.09113	48.6
226.06306	7.8
226.09781	2.3
227.03313	1.6
227.07045	13.1
227.10695	5.4
228.11385	1.6
229.08612	22.8
231.10234	1.5
235.90341	1.3
239.06976	1.7
241.08594	18.4
242.09052	1.4
243.00575	53.6
243.10197	36.0
245.11702	4.5
253.08626	46.1
257.08023	2.8
259.09564	9.8
269.08032	1.3
271.09674	11.9
299.09149	15.0
353.11838	2.7
361.14365	2.6
368.14288	1.5
369.14981	4.7
371.12711	2.7
379.13217	2.0
381.11111	1.8
383.12421	1.9
383.16666	2.3
387.15820	3.3
389.13840	2.3
397.14279	6.2
398.14935	1.3
399.16055	2.8
401.17444	5.9
411.15906	6.6
415.15366	17.4
417.16907	4.4
429.17017	15.0
447.18704	71.5
448.18707	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	447.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42604	1.1
55.01870	1.6
67.05483	1.9
69.03422	1.4
71.04241	2.6
73.04751	1.6
78.33151	0.9
79.05501	2.8
81.03407	1.6
81.06422	1.0
81.07018	1.7
85.02875	1.7
91.05463	9.6
95.01347	16.7
103.05414	1.5
105.03418	1.9
105.07059	6.4
107.04947	3.2
107.08614	1.4
109.06522	3.5
115.05480	6.0
116.06247	2.4
117.06999	8.6
119.04968	10.9
119.08595	1.9
128.06230	3.1
129.06996	7.5
131.04938	1.3
131.08585	2.9
133.06412	1.3
133.10095	1.3
135.04459	2.1
135.08046	8.8
136.08588	1.0
141.07013	3.9
142.07773	5.2
143.05011	1.4
143.08572	3.4
144.05708	13.7
145.06491	25.1
145.19125	1.1
147.04439	3.9
147.08052	9.1
149.02327	4.3
152.06262	3.1
153.07005	2.7
154.07765	3.6
155.06061	1.1
155.08543	12.4
157.06538	3.2
157.10144	3.7
158.07338	1.3
159.04373	1.9
159.08060	76.1
160.05225	2.2
160.08432	2.0
161.02313	8.7
161.06012	8.3
163.03908	1.8
165.07045	4.6
166.07796	3.2
167.08543	7.4
168.05766	1.7
169.06456	4.2
169.10158	1.3
170.07272	1.6
171.08064	4.7
173.05969	9.6
173.09654	3.3
174.06795	3.2
175.03908	2.6
175.07533	12.0
177.09163	3.3
179.08583	3.8
181.06529	5.8
182.07271	9.3
183.04475	4.1
183.08049	11.1
184.08841	2.3
185.05998	6.8
185.09628	9.5
187.03967	10.4
187.07547	56.6
188.08318	17.0
189.05525	4.7
189.09117	22.2
194.07291	5.0
195.08052	16.3
196.08865	8.5
197.06036	4.2
197.09576	8.4
198.06766	9.3
199.07556	9.2
201.05467	2.4
201.09131	6.7
203.07036	100.0
204.07578	4.8
205.05023	2.2
205.08539	3.5
207.04527	1.8
209.05972	2.2
209.09637	2.2
210.06754	16.2
211.07556	9.7
212.08339	2.7
213.09114	45.0
214.06245	3.0
214.09422	1.8
215.10658	4.3
221.04077	1.4
221.05911	7.2
222.06808	1.2
223.07599	3.2
225.09108	67.3
226.06296	10.5
226.09683	6.2
227.07050	23.9
227.10564	10.6
228.11465	1.6
229.08604	35.7
230.09146	1.5
231.10233	3.9
238.06256	1.4
239.07082	2.2
241.08609	28.5
243.00534	3.0
243.10175	40.4
244.10725	1.7
245.11653	6.2
253.08601	59.6
254.08966	1.7
259.09641	17.0
261.09100	2.0
269.08051	1.7
271.09637	16.1
299.09079	15.2
311.10495	1.7
327.10425	1.5
335.10818	1.3
343.13354	2.0
351.13788	2.6
353.11722	3.6
354.12564	2.7
355.09103	1.4
355.13251	2.2
357.11005	1.9
357.14905	1.4
361.02637	1.4
361.14417	2.4
366.08734	1.6
367.13589	1.4
368.09933	1.6
369.11041	2.7
369.14993	4.9
371.16696	1.8
381.11249	2.9
383.12402	2.7
383.16522	5.1
385.14331	3.6
386.15094	2.7
387.15970	2.6
389.13760	2.8
397.14438	7.4
398.15173	4.2
399.16010	5.3
401.17551	8.7
411.16013	11.2
415.15411	19.1
416.15756	2.2
417.17044	5.9
429.16980	30.4
447.18188	97.4
448.18539	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	447.144
Annotation	Longicaudatin
Peak:m/z	Relative Intensity
53.03946	0.7
56.96557	0.7
68.72971	0.5
69.40073	2.6
69.40508	2.4
79.05482	1.2
81.07074	0.8
82.79008	0.7
91.05471	1.6
93.07083	1.3
95.08636	0.7
102.12445	0.6
103.05475	17.4
105.07043	3.4
107.04951	1.5
107.08612	0.9
118.04137	0.9
119.04903	0.6
119.08510	0.9
121.06443	1.0
123.00803	2.8
123.04401	0.9
128.06187	0.9
131.04933	7.1
133.06471	1.7
133.10104	0.7
135.04399	1.7
137.06027	0.6
141.06964	0.8
147.04381	0.6
151.03889	0.7
152.01045	5.4
153.01830	0.8
153.06996	0.7
161.05962	1.4
163.07539	2.4
164.08331	0.8
167.03357	0.6
168.05714	1.6
170.02077	1.9
171.08055	7.5
183.08113	4.1
184.05232	1.4
196.05171	0.8
199.07486	0.7
203.51364	0.6
209.06000	1.6
211.07541	3.1
212.04700	0.7
213.05530	0.7
229.08621	8.0
239.07056	2.5
240.04189	1.4
242.05666	1.6
253.04955	1.9
255.06537	69.5
256.06873	1.3
267.06653	0.8
267.10431	0.6
269.04477	1.6
269.07635	0.6
270.05234	2.6
279.06277	3.4
283.06024	37.8
284.06747	4.5
285.07587	45.8
286.07861	1.2
295.06012	3.8
309.07584	3.8
358.16455	0.8
389.10104	1.9
404.12793	0.7
447.14273	100.0
447.30573	1.7
448.14578	3.3
465.08569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01863	2.4
55.05518	0.7
56.84893	0.5
57.03437	1.1
57.99292	0.6
65.03947	0.8
67.05502	2.4
68.99786	0.8
69.03418	1.0
69.77338	1.9
72.22321	0.5
72.28902	0.5
79.05497	3.4
80.79774	0.5
81.03413	2.3
81.07050	2.0
83.01344	3.2
83.04974	1.6
83.08611	0.5
83.61584	0.5
85.02896	3.2
85.03351	0.6
87.04462	1.5
91.05496	2.7
93.03388	1.1
93.07018	1.5
95.01359	2.5
95.04968	2.1
97.02895	1.4
97.06521	1.3
99.04453	2.3
105.03415	0.6
105.07045	1.1
107.04974	2.6
107.08580	1.2
109.02856	0.6
109.06522	1.7
111.00806	1.6
111.04450	18.9
113.02385	9.3
113.05943	0.7
115.03925	3.1
115.05420	0.6
117.07002	0.9
119.04946	1.0
119.08602	1.9
121.02858	1.7
121.06519	1.5
123.00797	8.0
123.04417	1.4
125.05984	2.5
127.03909	3.4
128.06256	0.7
129.01862	1.0
129.06998	2.1
131.08595	1.2
133.02835	1.5
135.04416	2.7
135.11713	0.8
137.02353	0.9
137.05975	1.4
141.05435	3.6
145.04922	0.8
147.08051	3.5
149.02344	3.7
149.05963	2.1
151.03874	1.9
153.05510	1.0
155.03398	6.0
157.06465	0.6
159.07980	1.0
161.02364	9.6
161.05995	4.0
161.75888	0.5
163.03938	2.3
165.05487	4.5
167.03401	2.2
167.07054	7.2
169.05031	3.7
171.08121	0.6
173.04552	1.2
173.05901	0.5
175.03922	1.4
175.07573	2.5
177.05527	1.2
177.09125	1.3
181.04967	0.6
185.05991	4.9
187.04031	1.7
187.06021	21.7
188.04753	0.7
193.04941	1.5
195.06523	3.1
195.08099	1.0
197.05971	0.7
199.07533	0.5
203.07042	100.0
204.07437	1.1
213.05653	1.1
213.07500	5.2
215.07133	0.6
223.07458	0.7
225.09006	0.8
226.06302	0.8
237.09009	0.6
239.05371	0.9
241.08757	2.5
243.10184	1.5
257.08121	0.9
263.07141	0.7
267.10272	0.9
269.08157	4.8
279.10107	2.5
281.08051	1.0
281.11856	1.0
283.09634	1.0
285.07367	0.7
287.09149	32.0
293.08102	0.6
293.11642	0.8
295.09637	1.0
297.11163	0.9
309.11331	0.8
321.11169	1.2
323.09161	1.1
323.12570	0.6
325.10770	1.6
327.12415	0.7
335.08408	0.5
337.10757	2.0
339.12155	1.1
351.12305	1.6
355.11731	9.1
365.10080	2.2
369.13422	1.2
379.11813	0.8
383.11349	3.1
397.12781	5.4
415.13892	54.8
416.14175	0.7
421.18301	0.7
447.16727	5.0
447.27277	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	447.129
Annotation	Sissotrine
Peak:m/z	Relative Intensity
67.05478	0.3
68.99812	0.3
69.64245	1.3
69.76507	0.2
79.05497	0.5
81.03418	0.2
81.07037	0.4
85.02879	0.2
90.43201	0.2
91.05457	0.3
93.07071	0.2
95.04948	0.2
97.06543	1.4
98.21461	0.4
105.07024	0.3
107.04965	0.4
118.04137	1.1
123.04438	2.0
124.01585	0.9
133.06453	0.5
145.06512	0.2
149.02354	2.0
152.01047	3.3
153.01828	1.5
158.03653	0.6
163.03918	0.2
168.05754	0.3
169.06351	0.2
170.02101	2.1
179.03397	0.7
181.04985	1.1
183.08189	0.3
185.05873	0.2
197.05972	0.9
201.09091	0.3
213.05511	1.5
214.06238	0.5
225.05482	0.3
229.08609	4.1
241.05035	0.4
242.05762	3.3
252.04251	0.4
253.04990	2.8
257.08017	0.4
269.04456	2.3
270.03070	0.1
270.05228	5.6
285.07590	100.0
286.07938	2.1
324.93909	0.2
365.14029	0.2
383.15067	0.3
447.22214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.129
Annotation	Sissotrine
Peak:m/z	Relative Intensity
53.03939	0.4
55.01872	0.5
55.05509	0.4
55.44040	0.3
56.58352	0.3
57.03432	0.6
61.02921	1.1
67.05505	0.4
69.03442	2.1
69.07066	0.4
70.03748	0.3
71.58476	0.4
72.82980	0.3
79.05489	0.5
81.03416	1.5
81.07036	0.6
82.06571	0.6
83.04980	0.4
85.02909	4.1
87.04479	0.3
91.03932	0.3
91.05506	0.3
93.07037	0.6
95.04962	0.6
95.08611	0.4
95.56406	0.3
95.88535	0.3
97.02905	1.7
98.97589	0.5
99.04459	0.4
105.03375	0.3
105.07076	0.4
107.04977	0.4
107.08585	0.3
108.02114	0.4
109.02850	0.7
109.10098	0.3
112.07598	0.9
121.02884	1.8
127.03909	1.2
133.02917	0.3
135.04425	1.1
145.04913	0.5
150.06805	0.3
151.03899	2.4
163.03946	1.4
167.03349	0.3
169.06433	0.3
169.09869	0.3
181.04939	0.4
181.09723	7.0
183.08119	0.3
196.05296	0.3
197.05980	0.3
203.07028	0.7
211.07584	1.1
229.08627	0.7
239.07047	0.4
241.05013	0.4
242.05754	6.7
256.07370	0.6
257.08276	0.4
270.05219	4.6
285.07590	100.0
286.07907	2.8
294.31366	0.3
441.65662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1288
Annotation	5,6-Dihydroxy-7-methoxyflavone 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05496	0.7
57.03433	0.6
63.17825	0.3
67.05495	0.6
69.03418	0.9
69.07057	0.8
69.43821	2.3
70.06583	0.3
71.04987	0.7
73.02925	2.3
79.05477	0.7
81.03423	0.7
81.07051	1.0
85.02899	1.2
87.04495	0.4
91.05501	0.9
93.07066	0.5
95.04971	0.9
95.08600	0.6
97.02895	0.6
97.06539	1.0
99.04444	0.5
105.07006	0.7
107.04973	0.9
107.08576	0.9
109.02942	0.7
109.10166	0.4
111.44487	0.3
117.07029	0.4
118.04161	0.5
119.08611	0.5
121.02925	0.5
121.10111	0.8
123.00784	0.4
123.04472	0.7
123.11767	0.5
127.03926	0.8
129.07004	0.4
131.08549	0.9
133.06526	0.6
133.10194	0.5
135.11768	0.4
137.02354	1.2
137.05975	0.4
147.11745	0.5
149.02434	0.4
152.01047	5.2
153.01851	1.6
153.06989	0.5
157.06538	0.3
157.10225	0.3
159.11760	0.3
163.03937	0.7
165.01845	0.4
168.05708	0.6
170.02135	1.6
175.08635	0.3
179.03358	0.5
181.06508	0.4
181.15898	0.5
183.08041	4.0
183.88715	0.3
186.06720	0.5
196.05209	0.8
199.16933	0.4
211.07567	3.1
213.05481	0.6
213.16565	0.3
214.06255	0.6
225.05382	0.4
229.05180	1.4
229.08603	8.0
239.07094	1.6
241.05032	0.5
242.05789	1.8
253.05042	1.1
257.04474	0.7
257.08118	0.4
269.04492	2.4
269.07059	0.4
270.05258	2.6
285.07593	100.0
286.07892	1.9
303.05014	24.1
304.05151	0.6
309.07532	0.3
327.48163	0.3
383.14856	0.5
447.12814	3.5
447.18134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.129
Annotation	Sissotrine
Peak:m/z	Relative Intensity
58.22066	0.1
65.74232	0.1
69.03444	0.2
69.07051	0.2
69.34933	0.5
69.35363	0.5
73.02908	0.3
81.03417	0.1
85.02916	0.3
93.03400	0.1
97.02895	0.2
105.07048	0.2
107.04948	0.6
117.74366	0.1
118.04201	0.3
119.04988	0.1
119.93507	0.1
121.06496	0.2
123.00789	0.6
123.04438	0.7
127.03932	0.2
132.05725	0.1
133.06448	0.1
137.02364	0.2
140.06268	0.2
147.04311	0.1
149.02271	0.1
151.00272	0.2
152.01057	5.5
152.06229	0.2
153.01830	0.8
153.06978	0.4
158.07196	0.2
159.07974	0.1
168.05708	1.4
169.06480	0.2
170.02139	1.0
179.03448	0.2
181.06404	0.2
183.08064	3.5
186.06737	0.7
196.05235	1.0
197.05992	0.4
198.06779	0.2
211.07533	3.6
213.05513	0.3
214.06215	0.8
219.88531	0.1
224.04622	0.2
229.08614	7.2
230.09126	0.2
239.07042	1.9
241.04892	0.2
242.05820	1.5
252.04314	0.2
253.05037	1.2
257.08228	0.2
269.04462	1.6
270.05225	2.1
285.07590	100.0
286.07935	1.7
303.05002	1.7
407.64771	0.2
447.12921	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1289
Annotation	Cytisoside
Peak:m/z	Relative Intensity
54.38844	1.7
57.03442	2.7
61.51348	1.5
63.27851	1.4
66.81474	1.5
69.03413	4.3
70.06584	3.1
71.56450	2.8
72.08161	2.7
79.05489	3.4
81.03430	8.7
81.07057	2.6
84.08149	2.5
85.02917	4.8
86.09666	2.0
87.04517	1.6
89.05991	1.6
91.05477	2.8
93.07056	3.1
95.04981	4.2
95.08569	1.5
95.72859	1.7
97.02905	2.8
98.97639	2.0
103.03924	2.0
103.05480	2.3
107.04976	2.6
109.02828	2.5
119.08616	2.6
121.10172	2.5
127.03928	3.7
129.07018	2.1
131.04945	5.5
132.05283	2.2
132.58565	1.7
137.02336	1.8
139.11247	1.8
145.10104	2.0
147.04475	1.9
148.06352	3.6
149.02356	2.2
149.06004	1.9
151.03903	4.3
153.10271	2.6
163.07524	3.4
163.08701	8.5
164.07875	2.0
175.03943	1.9
181.09857	7.8
181.12244	5.4
193.12248	5.3
199.10835	3.7
199.13297	3.7
227.07095	3.8
228.07722	1.7
254.05788	3.4
255.06587	3.7
256.07327	5.6
267.06567	3.0
267.16058	3.8
268.07199	2.6
269.04907	2.6
269.08133	12.0
270.05298	17.4
270.08881	8.8
282.05295	14.1
283.05984	4.7
284.06830	8.1
285.07593	58.8
285.10599	3.7
285.16974	2.4
294.05316	5.7
294.08627	3.9
295.06036	17.6
296.06744	12.2
297.07596	50.1
298.08365	31.8
308.06842	4.4
309.07639	10.4
311.09113	14.6
312.06262	17.5
312.09467	2.1
322.08252	9.5
325.07178	3.6
326.07889	2.5
327.08633	92.1
337.10663	13.4
339.08444	4.1
341.10217	2.7
351.08630	12.8
357.09680	11.2
365.10266	7.3
366.09818	1.6
369.09689	2.7
381.09546	12.0
393.09650	12.1
411.10757	29.0
429.11795	51.5
447.12891	100.0
447.17960	8.1
447.22818	3.8
448.13208	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	447.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41620	0.3
56.96542	0.3
61.58432	0.2
62.23282	0.3
69.03442	0.3
70.32869	1.0
81.03407	0.4
85.02886	0.9
85.06521	0.3
95.08624	0.3
133.10199	0.4
134.03642	2.5
137.02353	6.0
137.03380	0.4
141.06966	0.3
169.06503	0.9
183.04443	0.7
186.06700	0.5
197.06027	2.1
197.11769	0.4
198.12083	0.4
213.05475	3.4
214.06258	3.4
225.05478	8.0
229.08635	1.3
241.04897	0.3
242.05792	0.9
250.00569	0.3
253.04982	8.2
257.08118	0.5
269.04422	2.7
270.05240	18.5
271.05624	0.5
285.07593	100.0
286.07898	2.5
303.04990	0.8
366.11545	0.6
429.17899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1287
Annotation	Glycitin
Peak:m/z	Relative Intensity
56.86491	0.2
62.14991	0.3
69.43510	1.0
69.43928	0.9
69.82909	0.2
89.03951	0.2
134.03645	2.7
137.02341	6.1
141.06993	0.6
149.23877	0.3
157.06470	0.3
169.06425	0.4
183.04506	0.3
185.06004	0.3
186.06734	0.6
197.05965	1.8
213.05450	3.7
214.06264	3.8
225.05466	7.0
225.07623	0.5
229.08649	1.0
242.05716	0.7
242.62065	0.3
253.04970	12.0
254.05432	0.3
257.08215	0.4
269.04355	1.9
270.05243	18.1
285.07581	100.0
286.08032	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	446.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01875	0.5
69.03423	2.1
70.06595	3.5
72.08162	0.9
81.03413	1.1
85.02920	2.6
86.09702	4.5
87.00799	0.7
97.02911	1.4
99.04474	0.6
103.05472	36.2
105.01862	0.7
109.02860	0.8
119.08591	0.8
120.08031	0.6
121.10178	0.6
125.09611	0.6
127.03894	1.3
131.04933	100.0
133.45874	0.6
138.09097	0.6
145.02902	0.5
145.05011	0.9
152.34554	0.6
162.71152	0.5
163.07553	42.1
167.07117	0.9
177.05475	1.1
177.16243	0.5
178.05797	0.5
181.79999	0.5
183.14877	0.7
217.76120	0.6
233.29437	0.5
248.59625	0.6
253.08424	0.6
297.31793	0.6
326.07739	0.7
446.20789	0.9
447.17789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
55.05530	1.1
56.96565	13.9
57.03422	2.4
61.02927	2.3
62.06096	1.4
62.42554	1.1
69.03433	7.3
69.07080	1.6
70.06592	4.8
71.05003	1.7
71.57159	1.4
71.95257	1.0
72.08157	5.5
73.02926	1.8
73.04749	2.8
81.03423	3.1
83.04942	1.4
84.04492	2.1
84.08135	4.4
85.02912	12.8
86.09705	3.2
87.04474	2.2
91.05798	4.4
93.07047	2.3
95.04983	1.6
97.02872	6.9
98.97593	14.2
99.04459	2.7
102.05561	1.2
103.05476	9.0
107.04962	3.6
109.02875	1.9
110.97608	1.8
112.07616	1.3
112.99152	1.7
115.03903	1.6
116.98629	5.0
120.08115	100.0
121.06532	3.4
121.08430	1.3
127.03926	3.0
128.98613	2.6
129.10248	2.0
130.08678	1.8
131.00131	1.1
131.04948	3.7
134.09686	1.2
134.99672	1.9
136.06203	3.3
136.07487	1.6
137.05942	1.9
138.05446	1.2
140.07114	1.1
144.07098	1.0
146.99617	1.6
147.04454	1.5
149.06020	2.7
150.32170	1.0
152.05717	1.3
152.07016	2.8
152.10718	2.4
154.08562	1.0
158.99655	3.1
163.07436	2.6
166.08643	46.6
167.05617	1.6
167.07034	1.9
170.04868	1.5
170.99635	1.6
173.04974	1.0
176.03853	2.4
177.00726	3.2
177.05547	1.2
178.05235	1.5
181.04926	1.1
181.08549	1.2
181.71837	1.1
186.04353	1.4
188.05937	2.5
196.09738	5.5
199.06552	1.2
201.01967	1.7
214.03900	4.0
217.03728	1.3
219.01865	3.9
222.04359	6.0
225.07617	3.3
226.03935	1.3
232.04971	4.5
237.02737	6.0
240.05426	4.6
247.06551	1.9
265.56564	1.2
330.07678	1.6
348.08774	3.9
358.08090	1.9
360.02802	1.8
362.07733	1.1
446.10428	2.6
446.16055	6.3
446.21039	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	446.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72882	0.3
53.03955	0.5
56.96553	0.4
57.03440	0.6
69.03435	0.8
69.63832	0.9
69.64243	1.2
70.06601	1.8
72.08155	1.1
73.02918	0.7
73.04765	0.9
74.23859	0.3
77.03951	0.4
81.03410	0.7
84.04543	0.5
85.02907	1.5
86.09705	0.7
91.05817	0.8
94.06596	0.4
95.04964	0.8
96.82159	0.3
97.02908	1.0
97.91980	0.3
98.20752	0.7
98.97626	0.8
103.05476	39.1
104.05822	0.7
108.08092	0.4
114.56719	0.4
115.08666	0.4
116.98651	0.6
121.02878	0.7
124.04041	0.4
127.03925	0.6
130.06508	0.4
131.04936	100.0
132.05264	1.3
136.07542	0.4
150.05573	0.5
152.07063	1.4
163.07553	41.1
167.05611	0.5
176.03481	1.1
177.03770	0.6
180.34612	0.4
185.07263	0.3
219.01961	0.4
226.99423	0.3
234.06418	0.4
272.80301	0.4
295.32324	0.4
360.02911	0.8
395.39923	0.4
446.16290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00857	0.5
53.03951	1.0
53.11612	0.4
55.01876	0.8
55.05485	0.5
61.02906	0.8
62.16953	0.6
62.30741	0.4
69.03434	3.6
69.07056	0.8
69.42043	3.8
70.06598	3.3
71.05000	1.0
71.06928	0.6
72.08157	1.4
73.02909	0.9
81.03399	2.0
81.07061	0.9
85.02907	7.8
85.06550	10.0
86.06887	1.7
86.09705	4.6
87.00810	1.5
87.10043	0.9
91.05480	0.8
95.04984	0.6
97.02914	3.1
99.04467	0.7
101.07868	0.6
103.05473	35.9
105.01900	1.1
106.06445	0.6
109.02868	1.5
111.08150	0.7
119.08574	0.6
120.08102	0.9
122.02413	0.7
124.07564	0.6
127.03896	3.0
131.04936	100.0
145.04941	1.6
148.06204	0.9
152.07069	3.2
156.10231	1.0
159.02902	1.1
163.07552	48.8
164.11594	0.6
179.08174	0.7
181.12175	0.5
183.14883	1.3
187.07716	0.6
191.10701	0.8
210.12094	0.6
265.18051	2.9
266.18399	5.9
284.19415	0.7
293.08191	0.7
295.06131	0.7
296.06403	0.6
326.07721	0.7
362.80481	0.5
446.09570	1.3
446.15390	0.6
446.25015	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	446.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03936	0.7
55.01888	0.3
56.96571	0.5
57.03424	0.7
59.04996	0.4
69.03436	1.9
69.84048	0.8
69.84450	1.6
70.06583	1.4
72.08164	1.9
73.06568	0.4
74.06075	0.4
79.05482	0.5
79.69485	0.3
81.03420	0.7
83.04989	0.4
84.04490	0.5
84.08135	0.6
85.02901	2.3
86.09715	0.8
87.04478	0.8
91.05808	0.7
92.87325	0.3
95.04933	0.6
96.08146	0.8
97.02885	1.6
98.97586	1.5
103.05470	38.1
105.07059	0.3
107.04946	0.5
109.02883	0.7
110.06097	0.4
115.03912	0.7
116.10738	0.5
116.98672	0.5
117.09147	0.8
119.04940	0.4
124.07598	0.9
127.03943	1.0
129.10254	0.5
130.06517	0.4
131.04932	100.0
132.05270	1.4
132.21252	0.3
133.04970	0.5
133.06178	0.3
133.10182	0.4
134.76443	0.3
134.99821	0.3
135.10172	1.5
136.07596	0.4
137.05969	0.5
138.05516	1.7
147.04384	0.8
152.07069	7.8
152.08275	0.6
163.07544	41.9
164.08101	0.5
167.05603	0.6
167.07005	0.3
168.05463	0.4
180.06537	0.4
219.01566	0.4
237.02669	0.4
256.11603	0.6
284.05695	0.5
360.02866	0.6
373.84949	0.4
446.10779	0.7
446.15982	4.4
446.21884	0.6
447.15060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18208	2.4
55.05515	20.0
57.07077	14.2
67.05499	9.2
69.07074	50.3
69.47582	16.5
71.08620	5.8
79.05498	4.9
81.07065	27.2
83.08624	28.3
84.33772	2.5
91.05498	4.3
93.07055	8.9
95.08613	20.0
97.10177	16.9
105.07050	6.9
107.08620	7.9
109.06542	2.7
109.10181	12.5
110.76078	2.4
111.11716	9.9
116.56985	2.8
119.08588	10.3
121.06451	3.4
121.10159	5.9
123.11723	6.5
125.13225	4.0
127.03887	3.7
131.08562	5.2
133.10094	3.4
135.08043	4.6
137.09630	8.3
137.13216	2.7
139.07536	5.1
143.08604	2.6
145.10135	4.7
147.64395	2.7
149.09618	10.3
151.07504	5.4
153.09056	4.4
157.10202	2.9
163.11191	7.8
165.09125	100.0
166.09351	2.7
175.11203	4.0
177.09123	7.3
180.13734	2.9
181.08586	7.9
187.14774	2.9
189.09068	4.5
189.12782	3.7
191.10684	8.0
203.07181	4.7
203.10727	8.3
205.12350	12.9
219.13879	3.3
231.13805	3.6
248.88403	2.7
399.32660	2.6
409.35245	3.6
427.35693	15.3
445.20694	22.7
445.36810	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
57.07063	2.4
67.05439	1.1
69.07069	5.6
70.60650	2.5
81.07027	2.4
83.08603	2.8
95.08611	1.1
97.10177	1.3
105.07003	1.0
111.11600	0.9
131.35741	0.9
137.09555	1.5
140.18498	0.9
149.09669	1.6
165.07755	1.5
165.09116	20.4
177.09160	2.0
184.55258	0.9
191.10703	1.4
203.10651	1.5
205.12230	2.6
231.13864	1.0
259.96811	0.9
371.13141	1.5
371.50433	1.0
372.13394	1.7
374.15515	1.2
385.14526	1.7
386.15527	1.8
387.16074	4.8
388.16656	1.5
389.17892	1.1
400.17261	1.4
401.18127	4.4
402.18185	3.5
414.14392	1.9
415.15207	8.3
416.15640	2.1
416.20428	1.6
417.20651	4.0
427.35556	2.7
429.16989	7.0
430.17590	11.7
431.18066	1.2
444.18759	1.7
445.20029	100.0
446.20599	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16750	3.8
55.01860	6.0
55.05515	41.9
57.07078	62.9
65.03915	4.3
66.54894	3.5
67.05509	25.8
69.03402	5.2
69.06720	6.5
69.07073	83.6
71.08637	44.2
79.05509	21.2
81.07064	65.2
83.01344	4.6
83.04973	8.7
83.08630	51.6
85.10194	23.0
87.32063	3.9
91.05486	15.8
93.07050	26.0
95.04939	4.6
95.08617	47.3
97.06512	4.3
97.10176	34.9
105.07034	9.0
107.08601	32.8
108.15819	3.7
108.28597	4.6
109.06538	32.4
109.10174	26.2
111.08080	8.3
111.11745	27.4
119.08585	11.8
121.06506	6.8
121.10130	18.0
123.08042	13.1
123.11681	13.2
124.05198	5.7
125.09616	5.7
125.13318	7.8
133.10104	5.9
135.08061	14.0
135.11684	15.9
137.05980	59.5
137.09573	4.3
137.13268	7.0
139.07556	100.0
145.10110	6.8
147.11650	6.0
149.09666	9.0
149.13269	14.0
151.07571	25.5
161.09619	7.9
163.14835	11.2
165.05508	12.9
165.09113	33.4
171.11624	5.4
174.10458	4.3
175.11195	14.2
177.09172	13.8
177.16338	7.1
179.10709	7.8
189.12755	11.0
193.08649	15.5
193.12259	11.7
203.10715	8.3
203.14403	7.1
205.19514	4.6
207.13882	7.8
217.12253	6.0
231.13788	6.0
231.17552	4.4
235.13329	5.3
235.17049	6.2
277.21567	6.0
289.28928	16.0
307.29901	17.3
385.34616	11.2
399.36099	12.9
403.35690	11.2
417.37341	30.8
427.35745	22.9
445.36899	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	445.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
55.01873	5.1
55.05508	1.0
57.03428	3.1
59.04992	0.9
61.02915	3.7
68.99783	3.0
69.03434	17.2
71.04981	2.1
71.45737	1.3
71.46053	1.1
73.02914	5.1
74.33768	0.9
79.05499	2.4
81.03422	16.7
81.07069	2.2
85.02909	41.4
87.00841	15.9
91.05479	5.7
93.07054	6.2
95.08601	1.5
97.02896	12.2
99.04465	7.7
105.01871	10.6
105.07027	7.8
106.01945	1.0
107.08599	40.7
109.02889	19.5
109.06552	1.5
109.10171	3.2
112.35349	1.0
117.01849	1.8
119.08579	2.8
124.03951	2.2
127.03922	31.9
129.01859	2.2
129.50467	0.9
133.10139	22.5
135.11710	10.7
137.09639	2.7
145.04970	13.1
147.02881	1.6
151.11189	1.3
159.02878	11.2
161.09636	7.4
179.10687	22.0
179.12189	1.9
189.03958	1.7
197.11748	100.0
198.12053	1.8
213.03935	2.2
220.55820	1.1
231.05043	6.3
323.41702	0.9
325.07254	1.0
327.94308	0.9
337.07193	1.2
401.17795	1.2
445.15872	3.8
445.20499	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	445.1986
Annotation	Kopsiloscine C
Peak:m/z	Relative Intensity
55.11578	0.7
71.56145	0.7
77.50767	0.6
77.94904	0.6
81.07065	1.1
91.05476	7.2
105.07052	1.0
131.08586	0.7
203.07092	2.3
213.09052	0.8
227.03194	1.3
243.10233	0.9
253.08412	1.2
267.10202	2.9
287.11267	1.4
305.12375	1.1
337.16486	0.8
355.17557	5.1
365.14328	0.7
381.15082	0.8
399.16583	2.8
417.17526	1.7
427.18842	100.0
428.19217	3.6
431.15945	0.8
445.20630	5.9
445.29370	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	445.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01869	1.8
55.05507	1.5
57.03429	2.7
57.07071	0.8
59.05002	1.4
61.02920	3.7
61.25983	0.5
64.82864	0.6
67.05508	1.4
69.03075	0.8
69.03434	15.0
69.07077	2.8
70.06596	10.3
70.06955	1.1
70.19076	0.7
71.04992	2.0
71.22491	1.3
72.08168	5.4
73.02914	2.2
77.03928	0.6
79.05504	1.8
81.03429	7.2
81.04536	1.4
81.07082	3.0
83.04992	1.9
83.90750	0.6
84.08148	0.8
85.02914	25.2
85.06549	100.0
86.09710	25.3
87.04475	2.4
91.03964	1.2
91.05493	2.5
93.05775	0.9
93.07054	2.5
95.04967	1.6
95.08598	1.7
97.02902	9.5
97.06547	1.7
99.04462	2.8
99.29482	0.7
103.05470	8.9
103.07594	5.5
105.07058	2.1
107.04955	1.1
107.08601	2.2
108.04440	0.6
109.02888	4.5
109.06550	2.0
109.10177	0.8
110.09645	1.4
111.04456	0.9
111.08105	2.2
113.06001	0.7
113.97964	0.7
117.07030	0.9
119.04948	0.8
119.06081	4.6
119.08592	5.0
120.06623	0.9
120.08182	0.6
121.02870	3.7
121.06536	1.3
121.10172	3.2
123.08111	1.6
125.06011	1.9
125.07140	3.0
127.03929	9.5
131.04936	24.3
131.08611	1.8
131.48375	0.6
135.08098	2.2
135.11716	1.1
137.06038	0.9
137.07121	0.8
137.09651	1.6
143.08313	1.0
145.04944	3.2
145.10132	4.2
147.05554	4.4
147.08046	3.5
148.06319	20.5
149.07120	10.3
149.09637	1.7
151.03944	1.0
152.07111	2.2
153.09087	0.9
157.13367	1.3
159.11685	1.5
161.13271	1.1
163.07549	10.4
163.11206	7.1
165.06581	6.8
165.08989	1.0
166.07381	0.7
177.01836	0.9
177.61629	0.7
179.08183	17.8
179.10632	1.4
181.12227	8.2
183.14992	2.5
185.12909	1.1
187.14870	1.0
189.12585	0.8
191.10677	8.9
195.02917	1.5
197.07788	0.9
197.09308	13.2
199.18092	2.7
203.03427	1.7
205.15935	1.4
209.11740	6.5
211.14526	0.7
219.13467	1.8
219.46700	0.7
224.61629	0.6
227.17667	3.7
229.15776	1.0
247.16943	4.8
261.14487	2.3
265.18002	61.1
266.18375	1.2
274.11130	0.7
283.15884	1.2
283.19034	10.3
293.08179	1.0
295.06012	12.1
319.09964	0.7
321.07639	2.7
325.07144	2.7
326.24484	0.8
335.09192	1.1
349.06924	3.2
359.10321	0.7
359.14075	3.0
361.07205	1.7
391.08200	1.7
401.15207	5.9
409.09296	2.5
417.09656	0.8
418.14929	0.7
427.08719	0.8
427.19711	0.8
445.09201	5.5
445.15421	11.1
445.25574	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	445.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
55.05517	0.8
67.05504	0.8
69.07082	1.2
69.98676	2.3
72.08155	1.3
73.04791	0.4
77.12822	0.4
79.05489	0.5
81.07051	1.6
91.05453	2.4
93.07045	0.7
95.08595	1.4
105.07017	1.1
107.08578	0.8
115.05459	0.9
119.04949	1.9
119.08601	0.9
128.06192	1.1
129.06996	2.5
131.08586	0.9
133.10175	0.8
136.55937	0.5
141.06960	1.1
142.07800	5.2
143.08572	0.9
145.06523	1.2
145.10127	1.1
149.02342	0.5
152.06239	1.1
153.06967	3.5
154.07777	1.4
155.08563	25.0
157.06476	1.0
157.10136	5.8
158.07294	2.3
159.08063	0.8
160.05156	0.8
161.02386	0.8
161.05994	0.6
165.07024	1.1
167.03473	0.8
168.05766	0.9
169.06503	0.9
170.07298	4.1
171.08090	1.9
172.08856	3.7
173.05984	1.1
173.09639	3.0
174.06677	0.5
175.07550	4.6
177.09082	0.6
181.06483	1.5
182.07297	9.4
183.07994	12.0
184.08922	0.7
185.06026	0.9
185.09625	21.7
187.03955	0.6
187.07597	1.6
187.11174	1.5
189.09123	1.9
197.06018	2.9
197.09636	7.2
198.06781	25.6
199.07539	1.8
199.69305	0.6
200.08336	1.0
201.05521	0.7
201.09134	3.0
203.07051	19.1
210.06754	11.3
211.07545	9.7
212.08328	2.6
213.09117	100.0
214.09695	1.7
215.07082	0.5
215.10706	4.9
225.09119	53.8
226.09898	21.5
227.07033	1.8
229.08607	1.0
231.06563	0.8
241.08795	0.8
243.10187	76.6
244.10522	1.4
251.07089	1.7
257.08081	1.4
270.09161	0.5
348.11053	0.6
353.15805	0.6
367.13351	0.8
368.10086	0.5
383.12711	5.4
395.12866	0.9
399.15948	1.9
411.06683	0.5
415.15216	1.7
427.15308	2.2
445.16479	14.5
445.26944	1.3
445.36777	0.8
446.16916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
61.67659	0.2
67.05510	0.3
69.07047	0.3
71.29533	0.3
79.05479	0.5
80.11323	0.2
81.07054	1.0
85.02917	0.4
91.05480	1.5
93.07040	0.3
101.82108	0.2
105.07036	0.7
107.04949	0.5
109.06584	0.4
115.05489	0.6
116.06238	0.3
117.07009	0.8
119.04949	0.8
119.08612	0.5
121.10165	0.2
128.06219	0.6
129.07018	1.5
131.04953	0.3
131.08592	0.8
133.06540	0.2
133.10106	0.2
135.04446	0.4
141.06996	0.6
142.07773	0.8
143.08565	0.3
144.05688	0.8
145.06488	1.2
145.10095	0.3
147.04413	0.4
147.08057	0.7
149.02341	1.1
151.03856	0.2
152.06189	0.5
153.07004	1.5
154.07785	0.8
155.04926	0.3
155.08549	3.1
155.09703	0.3
157.06487	0.9
157.10109	0.3
158.07343	1.1
159.04475	0.3
159.08064	3.3
160.05186	0.3
161.02344	1.9
161.05978	1.6
163.03944	0.3
165.05696	0.2
165.06996	0.9
167.03400	0.4
167.08594	1.0
169.06406	0.5
170.07307	0.5
171.08105	0.3
172.08830	0.7
173.06029	1.7
173.09669	0.4
174.06754	2.9
175.03918	0.7
175.07555	1.4
179.08650	0.3
180.05692	0.7
181.06509	0.8
182.07280	4.0
183.08026	2.3
184.05206	0.2
185.06010	1.8
185.09616	2.7
185.38103	0.2
187.03914	3.7
187.07555	1.3
188.08325	2.0
189.05486	0.3
189.09094	6.3
189.10695	0.4
193.06482	0.4
195.08099	0.7
197.06007	1.2
197.09622	12.6
198.06763	2.9
198.10062	0.4
199.07573	1.1
200.04575	0.2
201.05489	2.6
201.09079	0.7
203.03517	1.2
203.07030	11.5
204.07423	0.3
205.04932	0.4
208.05260	0.9
209.06000	0.6
209.09630	0.2
210.06746	1.7
211.07524	3.6
212.08321	0.8
213.05731	0.5
213.09105	9.9
214.09534	0.3
215.03403	1.3
215.10683	0.6
221.06010	0.7
223.03687	0.2
223.07588	0.7
225.09106	9.4
226.06235	0.6
226.09889	5.1
227.07007	1.9
229.08598	2.0
231.08054	0.2
232.08745	0.3
235.07523	0.3
236.04697	1.5
237.05385	1.0
239.06956	1.2
241.05087	0.2
241.08472	1.1
242.09161	0.3
243.10172	9.8
251.07045	11.2
253.08609	0.8
257.08060	4.4
267.06628	0.7
267.11646	0.2
269.08011	0.3
276.07947	0.5
279.11823	0.2
281.09753	0.2
285.09079	0.5
291.10135	1.1
293.13370	0.4
295.11099	0.4
296.11945	0.7
297.09088	0.6
297.12476	0.3
298.09976	0.3
300.07864	0.3
301.08554	0.4
306.10461	0.7
309.09164	0.5
309.12674	0.4
310.09686	0.2
311.10684	0.2
311.14328	0.3
313.08630	1.0
313.12296	0.6
315.10184	0.3
319.11600	0.2
321.12781	0.7
323.10706	0.9
324.11530	0.8
325.08551	1.0
325.12250	1.2
326.09357	0.5
327.10251	0.8
328.10916	0.3
329.08136	0.5
329.11819	0.2
334.09961	0.4
335.10617	0.6
336.11340	0.5
337.08603	1.6
337.12234	0.9
338.12979	0.4
339.10193	0.5
339.13873	1.1
340.10730	0.4
340.14478	0.4
341.08029	0.9
341.11777	3.0
343.09729	0.3
343.13385	0.3
344.10406	0.2
345.11169	0.3
348.11755	0.3
349.12228	3.0
350.12946	0.3
351.06430	0.4
351.10175	2.7
351.14008	0.5
352.10925	1.9
353.08002	0.8
353.11761	2.7
354.08572	0.5
354.12540	0.3
355.09686	0.7
355.13385	0.4
356.10254	0.3
356.14227	0.3
357.07504	0.6
357.14819	0.3
359.16699	0.2
363.09863	0.3
364.10757	0.3
365.08005	0.8
365.11926	0.3
366.08234	0.2
366.12601	0.6
367.13333	9.4
368.10214	0.2
368.14084	1.7
369.07492	3.3
369.11301	4.0
371.16568	1.1
377.11621	1.1
379.09644	2.3
380.10376	2.3
381.11002	1.4
381.15625	0.9
382.08142	0.8
383.08829	0.2
383.12708	1.7
383.16907	0.4
384.09805	0.7
384.13937	1.0
385.14301	1.0
391.13135	0.2
393.11246	1.1
394.11917	0.6
395.07959	0.4
395.12833	5.6
396.09207	0.2
396.13675	0.7
397.10629	3.7
399.16006	12.4
400.16232	0.3
409.14374	1.1
410.15076	0.4
411.12277	2.3
412.13077	2.0
413.13754	0.5
415.15634	1.6
417.17026	0.3
427.15430	10.6
428.16003	0.3
430.14087	0.5
445.16467	100.0
446.16779	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	445.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01873	2.5
55.05500	3.0
56.96547	1.6
65.03961	1.9
65.83712	1.3
67.05495	4.0
68.99779	4.4
69.07060	5.9
70.06579	3.0
70.20428	5.7
71.04969	1.4
72.08151	1.7
75.04469	5.6
77.03979	1.7
79.05495	10.5
81.03399	2.4
81.07067	10.7
85.02907	1.7
86.09704	15.8
87.10019	2.2
88.07631	3.4
91.05477	13.5
93.07031	4.5
95.04962	2.6
95.08601	4.4
97.02947	1.5
97.06527	2.1
105.07014	5.9
107.04970	13.6
107.08596	2.0
109.02898	2.8
109.06542	11.8
109.10114	2.2
111.04430	2.6
113.02346	1.5
117.07034	1.9
119.04945	6.5
119.08560	3.1
121.02840	1.4
121.06496	9.2
123.04415	1.5
123.08076	5.5
123.11700	2.0
129.07074	1.9
132.10225	3.1
133.02855	12.8
133.06493	1.9
133.10165	2.9
135.04430	14.8
137.06018	3.2
139.07578	2.3
145.06569	2.0
146.11761	1.5
147.04398	1.6
149.02341	2.6
149.05984	12.5
151.03900	3.7
151.07552	20.9
153.05458	5.1
155.08528	5.3
159.04416	2.0
159.08005	2.4
161.02306	5.8
163.03903	15.5
165.05516	6.9
166.07755	1.6
167.07068	9.9
173.05945	3.0
177.01891	9.6
177.05482	16.2
183.10167	2.0
185.09651	1.5
186.14897	7.5
187.03888	2.1
187.15288	3.5
189.01837	15.4
189.05527	1.6
191.03372	1.9
191.07031	1.9
193.04935	16.3
195.06532	30.8
195.08212	2.8
197.09552	1.8
198.06757	2.3
201.05515	1.7
203.03355	3.3
203.07034	34.1
209.07924	1.5
210.06853	2.5
211.05919	2.5
213.09155	11.1
214.14452	2.2
217.05005	1.9
219.06534	100.0
221.04411	4.2
225.09164	5.9
226.09904	4.0
227.03180	6.6
229.08496	2.2
237.07620	4.8
239.05400	7.2
241.08522	2.0
243.10118	9.8
251.06987	2.9
257.08029	3.8
259.09576	1.8
269.08197	4.1
285.07623	17.2
321.07480	1.5
335.08508	1.5
337.10672	1.7
338.34030	3.1
339.34396	1.8
343.11771	2.1
369.13351	9.1
381.09662	24.5
382.36667	2.9
383.36838	2.2
385.12732	6.0
395.11301	13.6
399.16147	1.7
400.28943	2.0
413.12344	59.1
422.14575	2.1
427.13992	1.6
427.18863	4.1
444.40488	15.6
445.14984	6.7
445.20706	22.8
445.28897	11.0
445.40735	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1497
Annotation	Rhinacanthin F
Peak:m/z	Relative Intensity
53.03936	2.3
55.01873	2.8
56.96589	1.6
57.03416	1.1
65.03943	1.3
67.05506	3.9
68.99809	1.8
69.03426	4.1
69.07066	1.8
71.55800	1.4
71.56224	2.2
75.04474	3.1
79.05487	8.8
81.03419	2.4
81.07056	4.4
83.01344	5.2
83.04974	2.0
85.02901	4.0
91.05486	5.1
93.07064	3.5
95.01319	1.9
95.08624	2.7
97.02897	1.3
97.06514	2.6
101.06005	1.3
103.05523	1.4
105.03400	3.6
105.07042	3.7
107.04964	16.4
107.08549	1.8
108.02106	1.6
109.02882	2.9
109.06512	4.9
109.52064	1.4
111.00801	2.2
111.04478	1.6
113.02293	1.9
115.03925	2.5
117.07042	2.3
119.04964	5.1
119.08608	1.7
121.06522	4.1
121.10243	1.6
126.03127	2.4
127.03908	3.7
129.07040	4.5
131.08585	1.6
133.02841	6.9
135.04422	14.8
135.07957	1.4
137.05978	3.9
141.05479	8.9
143.03300	1.6
145.06461	2.0
147.08073	2.8
149.02332	11.3
149.06036	6.8
151.03920	2.7
151.07529	8.8
153.01813	6.7
153.05486	7.8
157.06517	5.2
161.02359	11.7
161.05998	5.0
163.03899	7.3
165.05508	4.9
167.03415	8.3
167.07060	2.2
173.06009	4.4
175.03973	2.3
175.07613	4.0
177.05490	7.6
181.06435	1.7
183.08086	1.8
185.05971	3.7
187.03937	4.1
189.01857	5.9
189.05460	3.6
191.07063	4.5
193.05011	7.7
195.06549	9.8
195.08101	2.5
197.05951	1.7
201.05495	14.1
203.07042	100.0
211.07628	3.4
219.03207	1.6
219.06523	19.9
227.03429	1.8
231.06523	1.7
238.06241	2.0
239.05539	5.1
241.08612	2.1
243.08492	2.6
253.08952	2.0
255.06549	2.4
265.08670	3.3
267.06555	1.5
267.10062	1.7
269.08112	2.6
271.06213	1.3
277.08511	1.8
279.10190	4.3
281.08087	7.5
285.07599	4.6
287.09167	24.2
291.10123	2.2
293.08197	3.9
295.09656	2.3
297.11221	4.4
306.09082	1.9
307.06100	4.6
307.09650	5.0
309.11316	6.9
321.07840	2.0
322.08560	1.4
323.12961	1.6
325.10803	13.8
333.07458	1.5
335.09036	2.1
337.06848	2.1
337.10696	22.8
339.08658	2.5
339.12213	11.0
351.08481	2.0
353.10312	2.5
359.02863	1.8
367.11630	2.5
369.13293	11.4
381.09671	11.3
383.11203	15.1
385.13074	6.9
390.06342	1.4
395.11359	5.7
401.15994	2.1
413.12384	71.6
427.13800	1.4
438.05219	1.5
445.14996	58.6
445.28888	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
56.89227	1.0
56.96572	0.9
59.39313	0.9
65.03947	1.8
65.24134	0.9
67.05487	2.8
68.99783	1.8
71.28881	1.1
75.04497	6.6
79.05500	7.6
81.03405	3.0
81.07059	7.5
84.06520	0.9
85.02906	2.2
91.05459	9.1
93.07058	1.8
95.04935	1.4
95.08604	1.2
98.07706	0.9
103.03955	1.0
105.03365	2.2
105.07024	4.5
106.04175	0.9
107.04965	10.5
107.08579	0.9
109.06514	10.1
111.04414	2.9
113.02360	2.2
117.07043	1.5
119.04942	7.3
119.08566	1.7
121.02850	2.3
121.06538	8.6
123.08042	5.5
133.02835	6.5
133.06523	1.4
135.00887	1.1
135.04424	12.6
137.05945	1.2
139.07550	1.3
141.25146	1.1
145.06470	1.9
145.10101	1.2
149.02348	1.8
149.06000	14.3
151.06435	1.8
151.07550	20.6
153.05467	3.8
158.70265	1.0
161.02344	4.2
163.03912	13.2
165.01851	2.2
165.05476	3.6
167.03458	1.2
167.07051	4.1
173.05931	1.0
177.01894	7.6
177.05479	16.4
179.03369	1.9
183.02884	1.0
183.10159	1.6
188.70163	0.9
189.01825	12.7
189.05490	1.2
191.06978	2.3
193.04890	1.3
195.06543	33.5
201.05486	2.9
203.03340	4.5
203.07025	2.6
204.04047	1.1
205.05077	1.2
219.06543	100.0
221.04401	3.9
229.08611	1.2
235.05827	1.2
237.07523	3.0
239.05463	8.1
242.05757	1.3
254.84929	1.0
257.08124	2.5
259.09625	1.9
267.06494	1.4
270.84256	1.0
283.09641	1.4
285.07623	16.6
291.18118	1.1
293.08383	1.3
307.01053	1.0
311.09415	1.0
323.09497	1.3
351.12073	1.4
353.10101	1.3
363.08438	1.2
368.24384	1.3
369.13342	7.5
381.04880	1.3
381.09698	20.8
385.12772	6.0
395.11078	5.7
401.15741	1.3
411.14978	1.2
413.12354	53.6
414.12793	1.3
445.29498	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
53.72435	0.7
55.01888	1.0
55.05512	0.9
56.32169	0.6
57.03428	1.4
67.05492	1.4
68.99785	2.4
69.07063	1.1
71.58910	1.0
71.74825	0.6
72.50558	0.6
75.04562	0.6
79.05485	3.0
81.03423	1.3
81.07037	2.2
91.05478	3.8
91.18378	0.7
93.07023	1.5
94.04177	0.7
95.04964	2.6
95.08576	1.4
97.06546	3.7
97.10107	0.9
105.03396	5.2
105.07009	1.4
106.04180	1.1
107.04946	2.6
107.08610	1.8
108.02113	6.5
109.02885	11.4
109.06517	4.0
109.10110	0.9
111.08144	0.9
115.03934	2.6
121.06506	1.3
122.03641	1.3
125.05986	2.0
129.07065	1.3
133.02863	28.7
134.98177	0.9
135.04416	4.7
137.05977	10.9
138.06763	2.0
139.07535	4.4
143.03444	3.7
147.04428	0.9
147.08064	2.2
149.02330	1.9
149.05981	1.3
150.03143	1.8
151.03903	7.3
160.05286	0.8
161.02359	7.3
161.06010	2.4
163.03929	5.7
164.04608	0.8
165.05493	11.2
167.07050	13.4
169.04988	0.8
175.03911	1.6
175.07567	1.0
178.02596	2.0
179.03404	1.7
181.08656	1.0
182.07178	0.8
185.06000	3.1
189.83452	0.7
191.03403	2.5
193.04977	53.3
194.05370	0.8
195.07951	1.5
197.09489	0.8
198.06801	0.8
199.07544	1.8
203.07043	100.0
204.07361	2.1
205.01369	3.1
211.05995	6.6
217.74983	0.8
219.02893	13.8
219.04868	1.2
223.07515	1.3
225.92677	0.8
241.08543	4.8
243.10210	3.9
269.08118	15.7
270.08478	0.9
285.11148	1.7
298.18515	0.7
309.11374	0.8
311.09268	1.5
353.29556	0.9
363.08548	1.0
369.13416	4.8
371.11203	3.0
381.09775	6.1
395.11282	34.7
413.12363	13.2
427.13943	2.3
444.33502	3.4
445.16275	1.0
445.33774	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01849	1.5
55.05472	3.2
56.96541	1.1
57.03405	3.4
59.06031	0.9
65.03889	1.2
65.52689	0.9
67.05506	6.7
68.99763	1.9
69.03431	19.9
69.07031	2.2
71.58234	1.1
73.04725	1.6
79.05495	8.5
81.03380	1.3
81.07063	10.7
83.04964	1.2
85.02843	4.0
91.05461	9.6
93.07051	8.2
95.01266	2.6
95.04897	2.7
95.08612	6.0
97.06473	1.0
103.05426	1.2
105.03356	1.7
105.07032	10.0
107.04962	5.0
107.08595	5.6
109.06506	5.9
109.10085	2.6
111.04402	1.0
113.00018	13.6
115.05403	1.5
117.07040	4.9
119.08601	7.0
119.09290	1.7
121.06460	2.1
121.10030	3.0
123.00716	1.2
124.09940	0.9
125.02364	23.7
128.06181	2.2
129.06912	2.7
131.04861	2.7
131.08574	5.1
133.02773	3.6
133.06448	1.6
133.10130	4.5
135.04338	3.2
135.05302	0.9
135.07980	1.4
135.11621	4.0
137.05904	1.0
137.09525	0.9
141.06966	1.9
143.03319	2.2
143.08508	1.4
145.06482	10.5
145.10114	4.6
146.03500	3.3
147.04308	2.6
147.08025	2.0
147.11606	2.5
149.02232	3.5
149.05853	1.0
149.09412	1.1
149.13164	2.0
151.03801	2.9
153.01834	100.0
154.07668	1.5
155.08430	1.2
157.06325	1.2
157.10017	1.4
157.79936	1.1
159.04349	1.5
159.07980	2.7
159.11566	2.9
160.05043	3.1
161.02260	2.5
161.05977	7.3
161.13101	2.6
163.03801	2.0
165.05370	1.5
165.09012	2.5
167.03389	7.1
167.08498	1.7
169.02490	3.4
169.10020	2.6
171.02872	1.5
171.07919	3.6
171.11655	2.0
173.05972	10.7
173.09494	2.2
173.13248	1.2
175.03918	1.1
175.07455	1.9
175.14639	2.5
177.05302	3.0
179.08418	2.1
181.06409	1.1
182.07208	2.5
183.07906	2.6
185.04385	4.7
185.05745	1.3
185.13139	1.6
186.06647	1.3
187.03845	5.7
187.07451	1.4
187.11035	2.8
189.05492	11.3
191.06963	1.2
193.04977	10.7
197.09692	4.8
199.07381	2.5
200.04706	4.7
201.05289	4.3
201.09106	6.2
203.07039	26.9
205.04843	1.3
209.05811	1.6
209.11438	1.0
210.06638	1.4
211.07452	1.5
215.07019	1.0
215.10674	11.1
219.06247	1.9
225.03525	3.2
225.09103	6.0
227.03033	2.1
227.06844	2.0
228.07646	1.6
239.06726	1.1
240.07777	2.3
241.19284	4.2
243.10179	82.1
244.10382	2.0
255.06520	27.9
259.20633	4.6
261.11227	45.7
269.08014	1.5
283.06097	11.2
284.06494	3.5
285.07538	5.3
287.08987	2.4
295.05823	1.2
313.57590	1.0
333.24234	11.8
365.13391	2.5
366.55713	2.3
369.12979	1.4
374.06808	1.7
383.07666	1.2
383.14627	1.3
390.58737	1.4
393.13040	1.7
395.10953	1.5
413.12347	85.4
414.12299	2.0
422.13049	8.0
422.62366	3.5
434.13211	1.1
445.12491	32.7
445.21747	1.8
445.29224	20.7
446.12946	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
67.05501	2.0
68.99792	3.4
69.07084	1.8
73.51038	1.2
74.51546	1.1
79.05499	4.3
81.03423	2.9
81.07052	3.1
91.05471	4.9
93.07070	2.3
95.04983	2.3
95.08598	1.2
97.06542	3.4
105.03400	5.5
107.04976	3.4
108.02108	9.1
109.02889	10.3
109.06530	3.7
109.10186	1.1
115.03914	1.2
119.08599	1.5
121.06583	1.7
121.10168	1.3
122.03636	1.2
125.05995	1.8
133.02866	25.8
134.00217	1.2
134.98251	1.5
135.00771	1.3
135.04422	4.9
137.05991	12.6
138.06750	2.4
139.07562	6.1
143.03430	3.4
147.08011	2.7
149.02364	1.3
150.03114	2.5
151.03914	9.7
153.09128	1.3
155.64679	1.1
156.60072	1.1
159.11761	1.3
161.02359	8.1
163.03987	5.7
165.05481	11.0
167.07048	21.9
167.08401	1.8
175.03889	1.4
175.07524	1.6
178.02632	2.9
179.03433	1.3
182.07352	1.6
185.05980	2.9
191.03497	2.1
193.04976	57.4
195.08188	1.5
197.09856	1.3
198.06770	2.2
203.07043	100.0
204.07390	2.4
205.01369	3.1
207.06537	1.5
211.06021	11.2
213.09137	4.1
219.02892	11.9
225.09108	2.3
226.09779	1.5
241.08571	6.6
243.10199	7.6
257.07971	1.2
269.08087	15.5
285.11267	1.9
311.09152	1.5
319.09607	1.3
369.13318	4.8
371.11337	1.5
381.09705	8.2
395.11261	36.8
413.12445	17.1
414.12659	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99794	0.8
55.05508	1.7
60.29066	0.7
67.05499	1.0
69.03412	0.8
69.63562	2.7
69.63970	1.5
72.68271	0.6
79.05489	1.3
80.24200	0.8
81.07050	2.5
91.05477	2.5
95.01328	1.4
98.21533	0.8
105.07023	1.2
107.04980	1.2
109.06503	1.1
110.03657	5.3
114.62918	0.8
117.07015	0.9
119.08589	1.3
121.06506	1.3
125.02367	1.8
125.06001	10.9
128.06210	1.0
129.07042	1.4
131.04912	0.9
131.08554	1.1
133.02815	1.3
135.04349	1.3
136.05226	1.3
137.02341	2.3
143.08603	1.3
147.04419	3.0
147.08051	2.8
148.05170	1.5
149.02361	6.1
151.03937	1.6
151.07547	7.5
153.05479	2.4
153.06696	0.8
159.04424	1.0
159.08051	0.7
160.05180	1.1
161.02335	9.1
161.05952	3.2
161.09526	0.8
163.03911	2.6
167.03389	3.0
171.07973	1.3
175.03929	3.0
175.07545	0.8
179.07045	5.0
181.04970	60.2
185.05983	4.4
187.03894	12.0
189.09189	1.3
199.07637	1.1
201.09114	4.1
203.07042	100.0
204.07423	1.7
205.04926	5.0
207.06586	1.8
215.07068	2.7
217.08632	7.1
219.10172	1.7
227.07056	3.5
229.08633	2.7
245.08113	21.0
247.09590	1.7
263.09100	4.6
267.09216	0.8
273.08060	0.8
291.08640	78.7
292.09006	1.2
325.14148	0.9
365.13818	1.5
445.14948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1494
Annotation	(1S,2R,7aR,13aR)-2,3,13,13a-Tetrahydro-1,2,7a-trihydroxy-9,10-dimethoxy-3,3-dimethyl-1H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one
Peak:m/z	Relative Intensity
55.05507	1.1
56.96539	1.4
59.04999	1.1
67.05497	1.2
69.03429	1.5
69.07072	1.9
73.04752	1.1
79.05495	3.0
81.07060	4.6
85.02919	1.1
91.05496	4.3
93.07050	2.3
95.04984	2.4
95.08625	2.8
97.02908	1.1
98.97580	1.4
105.03394	3.0
105.07017	3.4
107.04946	4.6
107.08606	1.6
109.06522	4.0
109.10148	1.5
117.07000	2.0
119.08584	3.0
129.07013	2.3
131.08585	1.4
133.02866	1.7
133.06458	1.3
133.10133	2.1
135.04440	7.6
137.05981	4.2
137.09526	1.3
145.10123	1.1
147.04410	2.7
147.08047	3.8
149.02269	2.1
151.03850	1.8
151.07565	1.9
155.08633	1.3
157.06464	1.0
159.11771	1.2
161.02371	8.1
161.06000	3.4
161.09795	1.0
163.03929	10.6
164.04828	0.9
165.01859	1.7
165.05478	1.9
165.09097	3.0
167.03433	1.4
167.07071	1.3
169.10124	1.6
175.03883	2.0
175.07576	1.6
179.03394	1.6
179.07065	2.1
180.04167	10.7
183.06602	1.8
183.11662	1.3
185.06017	3.2
187.03952	2.8
189.05408	1.2
189.09177	1.1
189.12807	1.1
191.10760	1.3
193.05013	5.0
195.06572	7.9
201.09036	1.8
203.07045	100.0
204.07439	1.3
207.06586	7.3
223.05956	7.5
225.07602	3.2
227.07057	2.6
229.08693	4.9
233.66502	1.0
243.10204	6.7
271.99414	1.1
279.06458	1.3
283.05878	1.2
337.10574	1.2
349.79776	0.9
351.12097	2.3
355.15390	2.5
365.10217	1.6
377.44562	1.0
383.14975	7.2
395.11325	3.1
397.12891	5.3
409.12720	1.6
427.13922	7.8
445.12778	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.4
60.52845	2.2
61.58311	2.4
69.03432	9.5
69.07063	3.4
70.06595	8.1
70.98940	2.4
71.47425	2.9
72.08147	3.1
72.26962	2.5
81.03423	4.6
81.07043	3.9
85.02905	12.8
85.06544	16.6
86.09712	13.3
89.03920	6.7
91.05430	4.3
93.07063	4.5
95.04939	2.7
97.02878	4.9
97.06528	2.3
98.97603	2.8
99.04446	2.9
103.05458	6.2
107.04969	4.3
109.02882	4.4
117.03377	20.0
119.04960	4.1
119.08585	4.2
121.02840	8.7
127.03905	5.4
131.04938	27.0
133.24077	2.3
137.05963	4.6
145.02861	53.1
145.04802	2.9
145.65663	2.5
149.05994	6.7
152.07292	2.4
161.09698	3.7
163.04050	2.4
163.07561	10.5
177.05489	100.0
179.10707	5.3
183.14864	5.0
203.05290	2.5
203.87190	2.4
205.82339	2.9
243.06190	2.3
247.16850	5.5
249.18585	2.8
265.14301	3.0
265.17935	11.7
295.06046	14.5
307.05963	4.2
308.06631	3.2
311.78571	2.9
321.07635	3.0
325.07135	18.9
333.07666	3.1
335.09161	5.7
337.07217	6.4
340.00146	2.8
349.07111	3.9
351.08539	6.2
353.08502	2.9
359.02689	3.3
361.07089	4.7
363.08545	8.3
379.08292	14.1
391.08224	13.5
399.08658	3.5
401.17581	4.5
409.09363	17.7
427.10114	5.4
445.09549	6.3
445.20923	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36957	2.4
54.10512	2.4
55.05508	3.8
57.03428	3.3
61.02922	2.6
67.05522	2.8
69.03432	8.8
69.07071	3.9
69.25461	7.6
69.25885	15.1
70.06590	13.7
72.08161	5.5
73.02921	3.6
73.04758	2.7
79.05470	3.5
81.03420	4.3
81.07068	5.0
84.04446	3.0
84.45026	2.2
85.02902	14.5
85.06535	17.9
86.09713	15.5
89.03925	7.4
90.07220	2.7
91.05467	3.4
93.07052	3.7
95.04941	3.2
95.08645	2.7
97.02882	9.2
98.97622	3.2
103.05466	6.5
105.07037	3.7
107.08577	2.7
109.02885	3.7
111.08092	2.7
117.03395	22.9
119.04903	2.9
119.08585	2.4
121.02885	13.4
121.06541	3.1
121.10194	2.5
127.03926	4.7
131.04938	26.0
135.08037	4.0
135.11723	3.0
137.02373	5.7
137.05907	2.3
141.01863	3.1
145.02847	48.2
149.06044	7.6
151.11168	2.2
158.11755	5.0
163.07567	9.5
177.01955	3.9
177.05492	100.0
178.05919	2.7
179.10677	4.3
195.02776	2.6
203.03517	2.9
203.05276	3.4
207.03049	2.7
229.15891	2.6
235.07683	2.8
243.95723	2.8
247.16890	3.1
249.18526	5.3
265.14096	2.9
265.17984	10.5
267.06564	2.4
294.05264	3.0
295.05994	15.9
297.07523	4.0
307.05945	5.5
321.07761	6.2
322.08322	4.6
325.07095	17.7
333.07443	4.0
337.07190	12.4
349.07190	6.9
351.08582	5.6
353.08182	3.0
361.06995	4.3
363.08594	7.4
379.08121	10.1
391.08047	9.9
399.08548	3.2
401.17978	5.4
409.09244	24.7
417.09219	2.7
427.10126	4.2
435.35226	2.7
445.09735	9.8
445.20773	54.9
445.29361	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	445.113
Annotation	Rothindin
Peak:m/z	Relative Intensity
61.89491	0.1
67.05505	0.1
68.99796	0.2
69.03414	0.2
69.22163	0.9
69.22569	0.2
70.06612	0.1
75.38728	0.1
79.05497	0.2
81.07037	0.2
85.02894	0.2
89.03501	0.1
89.03979	0.4
93.07035	0.1
100.57262	0.1
109.10125	0.1
115.05440	0.1
129.06976	0.4
131.08516	0.1
132.04390	0.1
133.10149	0.1
137.02359	0.2
141.06993	1.8
153.06937	0.1
155.04933	0.6
157.06442	0.4
169.06467	2.2
177.05525	0.1
181.06505	0.5
183.04402	1.7
197.05983	3.8
224.04617	0.2
225.05466	22.3
226.05769	0.2
227.07056	1.2
253.04961	20.3
254.05269	0.3
255.06555	0.4
283.06012	100.0
284.06335	2.2
445.11139	0.2
445.20471	0.6
450.01996	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	444.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90521	0.9
55.05508	2.1
57.07076	1.1
67.05502	1.0
69.07076	9.0
69.64504	4.7
70.06581	3.1
72.08147	0.8
73.06558	1.4
81.03452	0.9
81.07045	1.8
81.69965	0.9
86.09711	100.0
88.07645	1.9
91.05479	1.1
93.07053	1.3
95.08584	1.4
105.07042	1.5
109.06544	0.9
109.10143	1.1
112.07578	0.9
119.08526	1.0
121.06498	1.4
126.37473	0.8
132.10199	2.6
146.11769	1.7
151.07571	1.1
162.62781	1.0
168.13824	1.0
186.14902	75.7
187.15277	0.9
203.06918	1.2
214.14397	28.5
219.06456	5.7
227.03226	1.0
314.19653	16.3
338.34207	2.3
382.36795	6.0
383.00027	0.9
399.28561	26.3
413.12167	2.5
427.27948	2.5
437.74591	0.9
444.40491	18.6
445.19504	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
57.03431	3.1
59.61321	1.2
64.52418	1.1
65.03934	1.2
67.05506	1.3
68.99789	1.9
69.03419	2.8
69.07068	3.0
69.47029	9.1
73.02912	2.5
79.05486	3.6
81.03449	1.6
81.07065	4.4
83.04942	1.5
84.08147	3.3
85.02911	9.6
86.09702	1.3
87.00843	2.2
91.05469	5.8
93.07050	3.0
95.04948	2.1
95.08608	2.8
97.02917	1.4
97.06513	1.2
98.21497	1.6
103.03945	2.9
103.05446	1.3
105.07046	32.9
105.07761	1.8
107.08602	2.4
109.10147	1.4
109.58208	1.1
133.06485	2.0
133.10184	1.3
140.04906	3.3
147.04483	1.5
154.06549	1.8
155.06068	16.0
161.05974	5.7
167.06067	3.8
168.06860	3.5
169.07632	29.5
170.06015	2.3
179.06026	11.2
181.07654	3.9
182.06026	1.9
182.08470	1.3
183.05536	14.9
185.07129	9.2
189.03915	1.8
193.07600	11.1
194.06013	1.5
195.05554	24.2
196.06340	12.8
197.07109	25.5
198.05548	5.9
201.06714	1.3
207.05496	5.6
208.06216	1.6
209.07126	3.7
210.07980	1.4
211.05083	4.0
211.08701	5.1
213.06613	18.8
221.07088	17.6
221.08867	1.4
223.04984	2.1
225.06587	40.5
229.06102	16.3
237.06609	5.1
238.07472	4.1
239.04623	1.7
239.08192	22.6
239.10686	9.5
241.06119	4.2
243.07693	5.5
249.06506	7.2
253.06129	9.8
255.07602	2.2
257.05627	6.6
265.06091	2.3
267.07672	17.4
269.05676	2.6
270.08597	1.6
271.07178	26.8
277.06213	11.5
277.12250	1.6
281.11734	3.7
283.07043	1.6
285.08731	29.9
295.07175	34.3
305.11707	2.6
312.09857	3.4
313.08182	30.1
323.12808	3.7
331.09192	7.1
338.15045	11.5
362.15240	1.5
380.16061	18.4
384.15591	42.7
398.17123	34.8
426.16623	37.8
444.17700	100.0
445.17801	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	444.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24109	0.6
66.30699	0.7
69.07084	0.7
70.02753	1.3
70.03137	1.3
79.05483	0.8
81.07063	0.9
95.05018	0.8
97.02937	0.9
98.21384	0.9
102.05582	0.8
107.08602	0.9
139.03610	0.8
140.04987	3.8
141.29156	0.8
154.06499	2.1
155.06035	17.8
166.06531	1.3
167.06044	4.3
168.06873	3.1
169.07617	31.4
170.06075	2.0
174.73752	0.6
179.06064	11.5
180.04570	1.0
181.07626	2.2
182.06099	1.4
182.08444	1.5
183.05542	15.1
183.09178	1.4
184.06155	0.9
185.07150	8.7
193.07651	10.4
194.06091	1.7
195.05545	23.5
196.06310	12.3
197.07121	24.9
198.05534	5.4
201.06676	1.6
207.05510	6.4
208.06346	2.4
209.07112	4.9
210.07831	0.8
211.04950	4.0
211.08673	4.5
213.06607	18.3
221.07109	17.3
223.05148	2.2
225.06599	42.2
226.07048	0.9
227.08162	1.4
229.06105	18.4
237.06552	6.0
238.07442	3.9
239.04466	2.5
239.08157	23.5
240.05226	0.9
241.06143	3.3
243.07620	5.7
249.06656	8.2
253.06129	10.8
255.07750	2.0
256.08420	0.8
257.05582	4.9
257.09256	1.2
265.06122	2.4
266.06879	1.3
267.07672	16.1
267.10318	1.3
269.05472	4.0
271.07159	24.2
271.10043	1.5
277.06110	11.1
283.07159	1.3
285.08734	28.9
295.07156	33.7
312.09851	1.0
313.08194	29.1
331.09296	7.2
338.14960	5.5
362.15054	0.8
380.16171	9.8
384.15549	41.3
385.15912	1.3
398.17130	22.8
426.16641	40.9
427.16806	1.1
444.17709	100.0
445.17905	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	444.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80612	0.4
56.96557	0.5
57.03423	0.6
62.53557	0.5
65.03947	2.3
69.03423	1.3
69.07053	0.5
69.81509	1.9
69.81920	0.8
70.06578	1.6
72.08138	1.6
73.02914	0.9
81.03414	0.8
84.08131	0.9
85.02915	4.0
86.09734	0.5
92.04996	1.7
93.03369	0.7
95.01324	1.9
95.05006	0.6
97.02874	1.4
98.97578	1.8
101.06052	0.5
109.02877	0.6
110.97617	0.4
112.99192	0.4
113.02368	0.6
115.03971	0.7
116.98636	0.5
120.04503	0.9
120.08175	0.5
121.02873	0.8
127.03906	1.2
137.05937	0.6
138.05533	1.2
141.01834	2.0
145.02873	0.8
147.04370	0.8
148.03922	1.8
150.05493	1.3
158.99614	0.8
163.02663	0.5
164.07132	0.7
166.05032	2.1
176.03435	100.0
177.03860	0.7
177.05457	0.9
178.08636	1.0
182.22902	0.4
194.04504	4.4
196.06082	0.6
197.21259	0.6
219.01855	0.7
244.55855	0.7
250.07112	5.2
266.88788	0.5
268.08173	36.6
303.15503	0.6
306.16110	0.5
310.89664	0.5
339.84686	0.4
444.14767	2.2
444.20694	0.8
469.93027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80299	0.4
53.03939	0.9
55.01859	0.8
55.05506	1.5
56.05030	0.5
57.03433	1.0
60.05650	6.0
61.02912	1.4
64.01129	0.4
66.15619	0.5
67.05508	1.7
69.03426	4.8
69.07067	9.3
69.39518	3.4
70.06591	21.8
71.05003	0.9
72.08153	3.7
73.02937	0.6
76.23476	0.4
78.98393	0.5
79.05497	1.7
81.03411	2.1
81.07063	3.6
83.04981	1.7
84.08128	0.8
85.02911	7.6
85.06551	1.1
86.09706	100.0
87.04469	0.8
87.10059	0.7
91.05463	1.3
93.07052	3.0
95.04974	2.2
95.08606	2.4
97.02882	3.2
97.06487	0.7
98.21458	0.8
98.97610	1.0
99.04459	1.3
103.05498	0.7
105.07069	2.2
107.08582	2.6
109.02902	1.3
109.06519	1.8
109.10155	3.9
110.09680	0.7
111.08064	0.8
112.08727	4.7
113.05981	0.6
113.07163	0.9
115.08688	4.1
116.06320	0.8
116.07094	9.8
119.04923	0.7
119.08586	2.9
120.08097	2.3
121.06480	1.2
121.08427	0.8
121.10146	1.6
123.04536	0.5
123.08028	0.8
123.11756	0.5
125.05945	0.9
125.09627	0.4
127.03904	2.4
128.10721	16.2
130.08745	0.4
130.09767	2.3
131.08566	1.3
133.10086	1.5
135.08066	1.6
135.11667	0.7
137.05986	0.6
137.09613	6.2
138.09146	1.0
144.04367	0.5
145.05002	0.8
145.10085	0.6
147.08090	0.7
149.05927	0.7
149.09618	1.0
151.11214	0.7
153.05516	0.8
156.10210	1.5
156.11331	9.0
157.10039	0.6
158.09258	7.4
159.08031	1.5
159.11731	1.3
161.09575	0.9
163.07498	0.9
163.11180	1.3
171.11737	0.6
173.13228	0.7
175.11926	17.0
177.05469	1.4
177.09077	1.2
177.12782	0.5
181.12312	0.6
185.13170	0.5
187.11102	0.9
195.10110	2.4
203.14328	1.0
205.12294	1.7
217.15724	0.6
221.15329	0.7
226.15437	0.7
228.17084	0.8
229.15474	1.0
233.15555	0.6
235.29643	0.5
245.15370	2.4
253.16356	0.8
261.01828	0.5
263.16403	8.5
269.18530	1.1
271.17633	10.2
281.14590	0.9
281.17429	3.7
284.17044	1.0
302.18042	1.2
302.34970	0.5
357.15091	1.4
399.16342	3.6
425.17566	1.1
425.28568	1.2
443.15036	7.0
443.19302	5.8
443.29739	87.7
444.30151	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	443.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05510	0.6
59.04993	0.6
67.05491	0.9
69.07050	1.2
69.60361	2.0
71.04646	0.4
71.04999	5.4
71.08612	0.4
79.05484	0.8
79.82516	0.3
81.07056	1.0
83.08620	0.7
91.05486	1.6
93.07038	1.1
95.04960	0.4
95.08591	0.7
97.06525	0.3
105.06378	0.4
105.07034	5.5
107.08596	0.9
109.10162	1.5
115.05401	0.3
117.07058	1.5
119.07783	0.5
119.08582	6.4
121.06512	1.5
121.10129	0.4
125.06026	0.4
127.11194	10.8
130.07796	0.9
131.08531	1.7
133.06468	1.0
133.10107	1.0
135.04402	0.4
135.11717	0.3
143.08559	0.4
145.10127	20.1
147.11690	0.4
149.06050	0.3
151.03873	0.5
151.07541	0.6
159.11708	1.5
161.05978	1.7
164.04684	5.5
165.01718	0.3
171.85829	0.3
177.05487	8.7
183.02991	0.3
192.04185	5.7
193.05026	0.4
201.16389	3.3
203.07060	1.0
205.04962	8.6
206.05650	0.4
207.06531	100.0
208.06844	1.1
211.07750	0.3
219.17430	2.2
229.08636	0.8
239.07042	0.4
257.08109	2.3
269.08301	0.3
281.26614	0.4
285.11142	0.3
335.46231	0.3
339.15643	0.6
407.22281	1.9
425.23163	5.4
443.24097	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	443.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05515	1.3
56.96576	0.9
57.01805	0.8
66.87815	0.8
67.05492	1.7
68.99790	1.1
69.07070	2.4
69.30896	7.2
71.05006	6.0
73.46285	0.7
79.05502	1.8
81.07062	3.6
83.04993	0.9
83.08630	1.0
91.05476	3.1
93.07060	2.4
93.88977	0.9
95.04971	1.5
95.08617	1.1
103.05486	0.9
105.07062	6.4
107.08610	2.6
108.05743	1.0
109.10181	1.9
117.07032	2.1
119.08582	7.5
121.06491	1.1
121.10110	1.7
127.11205	9.2
129.07016	1.6
130.07709	1.2
131.08556	1.7
133.06528	1.1
133.10144	1.5
135.04398	1.4
135.11702	0.8
143.03392	2.1
143.08603	2.0
145.10146	17.2
147.11736	1.3
149.06046	1.3
151.03972	2.3
151.07539	1.2
159.11678	1.4
161.05975	2.3
163.03928	1.1
164.04701	6.7
165.01854	4.9
177.05489	3.4
179.07043	1.1
181.04968	2.3
183.02931	3.4
184.04491	1.1
192.04202	6.6
193.04968	2.0
201.16432	2.8
203.07085	3.2
205.05008	3.6
207.06549	100.0
208.06989	2.3
211.05916	1.0
219.06532	1.8
219.17548	0.9
239.05417	1.2
241.19579	1.0
257.08069	0.9
269.08087	5.0
285.07632	1.4
349.20926	0.8
351.22925	1.0
381.13443	1.6
407.18451	2.3
425.23010	1.7
443.28320	2.9
451.10431	1.0
468.89578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.243
Annotation	Docosyltrichlorosilane
Peak:m/z	Relative Intensity
55.01890	0.9
55.05499	2.3
56.96558	1.3
57.07059	0.7
63.24641	0.5
66.11810	0.7
67.05495	2.2
69.06784	0.6
69.07075	7.4
70.94561	1.2
71.04986	2.9
79.05480	1.8
81.07044	2.8
83.08614	1.1
91.05493	3.8
93.07037	2.7
95.04939	1.3
95.08610	4.0
96.26877	0.6
99.04400	0.6
99.85265	0.6
105.07038	8.9
107.08613	3.3
108.45396	0.7
109.06522	1.5
109.10143	2.7
111.04466	0.6
115.05441	0.9
117.07002	2.2
119.08578	7.2
121.06518	9.3
121.10146	0.7
125.05989	1.0
127.11201	7.6
129.06984	0.8
130.07779	1.1
131.08574	2.6
133.10127	2.0
135.04404	0.9
135.08075	4.1
135.11726	1.5
137.05917	0.6
137.09573	1.0
143.08559	1.1
145.10124	19.0
147.11662	1.0
149.05952	1.2
149.09576	0.8
151.03891	2.5
151.07520	1.3
155.08603	0.9
159.11678	2.1
161.06000	3.1
162.03090	0.7
163.11189	0.7
164.04697	5.4
165.01852	0.7
167.07123	0.7
171.08076	0.6
172.88365	0.6
177.05470	27.5
179.07037	2.1
181.10172	0.8
189.05327	0.7
191.07016	2.0
192.04175	7.0
192.07716	1.0
193.05016	1.4
201.16391	5.4
203.07022	7.7
205.04971	32.4
206.05574	0.9
207.06534	100.0
208.06886	1.9
208.74112	0.7
219.06479	1.2
219.17410	1.8
229.08676	1.1
267.10165	1.3
269.08224	1.3
297.11240	1.4
309.11035	1.0
323.12811	3.3
343.15021	1.0
365.13898	5.0
366.14304	0.9
381.12991	1.5
393.13428	3.1
394.13583	1.5
403.05875	0.9
407.22202	10.4
413.11584	1.2
422.12091	3.1
422.62192	2.4
423.11899	1.0
425.23199	10.8
433.09521	1.1
443.18423	1.2
443.28546	1.3
451.10416	2.2
469.11896	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	443.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01873	5.7
55.05513	34.8
56.96544	2.7
57.03440	11.1
57.07082	3.1
59.02154	1.5
59.05007	10.7
61.02920	7.1
67.05502	7.6
69.03431	27.1
69.07075	3.0
69.84779	9.9
70.06583	7.4
71.04996	5.5
72.08157	8.5
73.02916	4.1
79.05499	10.8
81.03433	14.7
81.07060	18.4
83.04984	43.5
84.08142	3.4
85.02907	75.9
85.06559	8.0
86.06855	1.6
86.09696	2.3
87.04452	4.8
91.03964	4.2
91.05487	12.8
93.07052	15.4
95.04973	22.5
95.08607	6.4
97.02897	24.4
97.04045	1.7
97.06536	3.9
98.97580	4.1
99.04494	4.2
101.06020	26.3
103.05421	2.1
105.07037	20.9
107.04962	3.4
107.08605	15.7
109.02884	9.3
109.06535	11.0
109.10174	9.5
111.04440	2.5
111.08072	2.3
113.09650	5.7
114.09979	1.8
115.05367	1.8
116.07109	3.5
117.07012	7.5
119.04978	2.1
119.07316	2.6
119.08591	25.9
121.06513	6.4
121.10144	22.9
123.08048	4.7
124.07659	2.6
125.05965	4.1
127.03928	14.1
128.06259	3.6
129.06976	5.9
130.06479	2.1
130.07776	2.5
131.08578	7.7
131.10681	1.6
133.06500	3.0
133.10176	11.4
135.08086	12.1
135.11699	7.5
136.07567	2.8
137.05972	3.2
137.09601	6.7
143.08597	8.3
145.04971	11.3
145.06450	3.5
145.10121	18.7
147.08052	26.9
147.09186	2.4
149.09604	4.5
151.07559	2.4
156.09363	2.7
157.10147	6.2
159.08037	12.1
159.11699	7.4
161.09610	14.3
161.13258	4.0
163.11191	100.0
164.11423	2.0
165.09082	4.3
170.10915	2.3
171.08067	2.4
171.11629	2.0
173.09526	2.2
173.13179	2.5
175.11227	2.5
175.14783	2.8
177.09117	16.1
179.10658	6.3
181.08516	2.4
181.12231	37.5
185.13290	5.5
187.11169	4.9
189.09119	5.4
199.14777	3.9
201.12630	2.3
203.14340	8.4
205.12263	4.5
207.10178	19.5
215.14204	2.3
223.13326	2.8
227.14250	4.2
233.15373	4.6
245.15392	19.4
246.47806	1.6
263.14020	2.0
263.16431	55.7
270.12988	2.6
281.17471	22.6
303.50598	1.7
311.05551	4.6
316.13751	6.3
370.08783	1.7
399.16269	4.1
411.22412	1.7
425.21857	2.5
443.15265	5.1
443.23788	19.3
444.22397	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	443.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01874	7.0
55.05517	19.6
56.96561	2.3
57.03429	8.8
57.07086	2.9
59.05003	6.2
61.02924	10.0
65.03915	2.5
66.73347	1.8
67.05501	10.0
69.03438	39.5
69.07061	4.7
70.06599	5.4
70.81578	4.3
71.04990	6.3
72.08155	9.5
73.02897	6.8
79.05505	9.9
81.03427	16.6
81.07069	17.3
83.01385	2.0
83.04990	33.3
84.08119	3.1
85.02917	85.2
85.06504	3.7
85.51690	1.8
86.09693	3.5
87.04475	7.2
91.03938	4.2
91.05481	17.6
93.07050	18.3
95.04983	22.8
95.08630	17.2
97.02901	29.2
97.06513	6.2
98.97578	5.9
99.04456	5.7
101.06038	13.2
105.07040	19.9
107.04917	4.9
107.08598	13.8
109.02905	12.2
109.06512	10.9
109.10181	19.3
111.04423	4.6
111.08080	2.2
113.05984	2.0
115.05467	2.5
116.98650	3.1
117.07005	6.7
119.08596	25.1
121.06519	15.9
121.10149	11.1
123.04478	2.9
123.08092	5.5
125.05980	7.8
127.03944	19.1
129.06993	3.0
131.08589	7.6
133.06459	1.9
133.10164	12.4
135.04347	2.9
135.08080	10.7
135.11684	4.3
136.07616	2.3
137.02342	4.3
137.05959	4.8
137.09631	46.4
141.07007	2.0
143.08572	4.3
143.93999	2.1
145.04936	7.2
145.06506	3.5
145.10081	10.1
147.08078	16.0
147.11694	5.1
149.09622	3.3
151.03946	2.0
151.07573	4.6
151.11194	4.1
154.97900	5.8
157.10133	5.7
159.08026	6.2
159.11658	8.3
161.09651	14.3
163.07503	3.2
163.11206	30.5
165.09109	5.8
171.11737	2.9
172.99077	2.3
173.13246	6.2
174.96902	3.6
175.11119	4.3
175.14848	5.9
176.08401	2.4
177.09149	10.0
179.10678	8.1
181.12257	31.5
185.13242	4.6
187.11221	6.2
189.09113	7.6
191.14284	2.6
193.04999	5.4
193.12172	2.9
195.06618	3.8
201.12706	2.7
203.14339	7.3
205.12250	18.9
207.10170	20.6
214.99818	2.4
215.14317	3.2
217.15897	2.8
221.15385	7.9
227.14296	5.7
233.15381	7.4
237.02802	4.2
245.15407	23.0
263.16473	67.9
281.14841	4.2
281.17505	100.0
299.05783	4.4
311.05505	6.5
323.05743	3.8
337.06912	4.2
341.06516	13.0
351.08624	3.2
353.06595	3.3
365.06540	5.1
366.11752	2.4
367.08240	3.0
379.08102	4.6
395.07706	10.5
399.16345	2.7
407.07373	8.4
422.66864	2.4
425.08826	13.2
443.19247	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	443.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
67.05490	1.6
69.03419	1.6
69.07079	0.6
69.30170	5.8
70.06582	1.4
71.04996	0.8
79.05489	1.5
81.07043	2.2
83.04967	0.5
85.02899	0.9
85.06536	0.9
91.05475	2.2
93.07045	1.9
95.08614	1.6
97.02862	1.0
97.06511	0.7
98.20787	1.2
105.07037	1.3
106.94595	0.6
107.08587	1.7
109.06567	0.8
109.10115	1.0
112.18941	0.6
116.90725	0.6
119.08579	1.4
121.10165	1.1
133.10115	0.7
143.08638	0.6
145.10141	0.6
151.07535	0.8
159.08020	0.9
195.13574	8.1
224.79442	0.7
271.04169	1.3
339.17801	0.8
357.18887	7.8
371.07565	0.8
381.18900	1.4
399.19891	31.8
443.18857	100.0
444.19162	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	443.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
65.28230	0.7
67.05488	1.4
69.03432	1.2
69.07063	2.0
69.96895	1.7
69.97305	3.6
79.05481	1.5
81.03452	1.1
81.07061	2.1
85.02893	2.2
85.06511	1.0
93.07049	2.0
95.08625	2.0
97.02860	1.3
98.21512	0.9
107.04919	0.7
107.08601	2.0
109.02859	0.8
109.10156	1.7
119.08539	1.0
121.10133	1.5
133.10204	1.0
145.10132	1.1
147.11731	0.9
151.07565	1.4
165.09137	3.0
195.13605	2.1
223.13110	1.2
281.52979	0.8
315.08701	0.9
339.17905	1.0
357.18866	11.5
399.19958	40.6
424.43585	0.9
443.18927	100.0
443.29218	2.8
444.19418	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	443.189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62760	0.6
63.61782	0.6
67.05517	0.7
70.77180	1.2
73.81371	0.7
81.07049	1.0
84.08179	0.9
85.02877	0.7
93.07028	0.7
95.08616	0.9
107.08578	0.8
109.10126	0.6
111.51741	0.5
119.08565	0.9
124.00084	0.6
127.03944	0.7
133.10132	0.7
149.13185	0.6
151.07552	0.7
179.07117	0.7
185.04211	0.8
191.07104	0.6
195.13629	2.5
223.13065	0.8
249.75877	0.6
343.10080	0.6
357.18835	9.4
381.13321	1.1
381.18033	0.6
399.15594	0.8
399.19913	40.2
443.18918	100.0
444.19153	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	443.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
55.01863	3.6
55.05508	1.9
56.32594	1.4
57.07049	1.8
67.05498	3.8
69.03422	3.4
69.07069	4.0
71.58089	2.6
79.05490	5.0
81.03418	3.4
81.07052	6.5
83.08630	1.4
85.02926	1.6
88.18773	1.4
91.05487	17.7
93.07034	4.8
94.93983	1.5
95.01299	2.1
95.04969	3.4
95.08594	6.6
100.27319	1.3
105.07034	13.3
107.04960	3.5
107.08597	5.8
109.06506	3.5
109.10160	4.8
113.86105	1.3
115.05440	3.0
116.06232	2.7
117.07043	3.0
119.08595	6.8
121.06482	1.9
121.10151	2.4
123.11704	2.6
128.06204	5.4
129.06995	12.3
131.04887	1.5
131.08572	58.4
133.10086	3.7
135.11656	1.6
138.39281	1.6
141.06973	3.3
142.07782	2.0
143.08533	11.0
145.06491	2.8
145.10158	6.8
147.04407	3.2
147.08041	4.9
149.02266	2.2
151.03923	1.8
153.06985	5.2
154.07780	5.9
155.08565	13.4
156.09250	2.2
157.06528	2.5
157.10149	3.9
159.11729	2.0
161.02354	8.4
161.05946	5.4
161.09608	1.5
165.06967	11.6
166.07790	4.0
167.03386	2.9
167.08557	7.0
169.06464	1.9
169.10118	10.7
171.08025	4.9
171.11662	5.3
173.06032	2.0
173.09659	3.0
175.07454	1.8
177.09084	1.7
178.07753	6.1
179.07088	2.1
179.08568	5.7
180.09320	8.1
181.06424	2.6
181.10130	12.5
182.07230	1.7
183.08049	20.6
185.06017	5.4
185.09641	9.0
185.13268	3.1
187.03944	4.6
189.05522	4.0
189.09175	2.2
193.10120	5.0
195.08008	3.2
195.11734	13.5
197.09602	15.5
198.10330	1.7
199.07552	3.6
199.11197	21.0
201.09081	7.7
203.07031	100.0
205.10124	1.7
207.06564	2.3
208.08891	2.8
209.09618	2.8
211.07623	2.4
211.11153	2.4
213.12708	10.8
221.09547	4.2
223.07527	2.3
223.11243	13.4
225.09035	4.0
227.07156	2.0
229.08588	19.3
239.10782	3.5
241.08591	2.3
241.12257	46.0
243.10152	28.1
249.09061	6.8
255.06583	4.0
259.09897	2.4
267.10098	4.1
295.09457	1.4
299.09143	2.9
313.10608	8.2
337.12048	1.6
397.18161	3.1
407.16071	2.1
415.19189	1.7
425.17532	8.5
443.18488	34.3
443.33521	29.3
458.75497	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01874	1.6
55.05502	1.3
57.03445	0.7
58.35737	0.7
67.05494	2.4
69.03436	1.5
69.07058	1.4
69.29305	2.1
69.29716	3.5
79.05492	2.5
81.03416	0.7
81.07059	4.0
83.04990	1.1
85.02907	0.7
89.53349	0.8
91.05479	5.6
93.07052	2.1
95.04963	1.1
95.08592	2.6
98.21519	1.3
103.05438	1.4
105.07031	8.0
105.07693	1.0
107.04971	1.8
107.08656	1.5
109.06519	1.1
109.10146	2.5
113.48063	0.6
115.05468	1.4
116.06236	1.0
117.07008	2.1
118.65266	0.6
119.05014	0.8
119.08577	2.1
121.10150	1.1
123.11706	0.9
128.06223	3.6
129.07021	7.3
131.08577	10.0
131.97647	0.6
133.02789	0.7
133.06416	0.9
133.10150	1.1
135.04445	0.8
135.11633	1.1
137.06136	0.7
137.09579	1.8
137.13231	0.6
141.06984	6.0
142.07794	3.2
143.08560	12.1
145.06487	2.6
145.10066	1.9
147.08032	2.1
147.11707	0.8
149.02327	2.3
149.09637	1.0
151.03865	1.5
152.06232	1.5
153.06998	4.1
154.07782	7.8
155.08557	13.9
156.09355	1.7
157.06494	2.4
157.10146	4.6
158.43196	0.7
159.08038	1.0
160.05246	1.1
161.02382	5.6
161.05962	2.8
163.03940	0.7
165.07025	9.8
165.09097	7.4
166.07823	4.5
167.03352	1.5
167.08537	5.7
168.09465	1.0
169.06425	1.0
169.10129	15.5
170.07367	0.7
171.08078	3.4
171.11696	4.6
173.06065	0.7
175.03925	1.6
175.07588	1.5
178.07745	1.1
179.08514	3.6
180.09361	8.5
181.06520	1.5
181.10129	15.7
182.07219	1.1
183.08067	6.9
183.11674	0.9
184.08871	1.2
185.06018	2.9
185.09628	8.5
185.13217	4.3
186.10362	1.2
187.03900	1.0
187.11153	0.7
189.05473	1.4
189.07047	0.7
189.09047	0.7
190.07719	0.8
191.17996	0.9
193.10167	1.7
195.08055	1.2
195.11699	15.4
197.09639	23.7
198.10292	1.8
199.07581	1.3
199.11232	6.3
201.09103	2.4
203.07039	100.0
204.07362	1.8
205.10127	1.9
205.12117	1.2
208.08850	2.6
211.11209	1.1
213.12755	8.5
215.10663	0.9
221.09822	0.8
223.11191	14.4
224.11906	1.6
225.09117	1.3
229.08583	1.1
235.50453	0.8
241.12253	58.8
242.12552	1.0
243.10187	20.3
247.14685	0.7
259.09763	1.0
267.10153	1.7
313.10620	0.8
339.36746	0.6
397.17883	1.7
425.17395	4.3
443.18597	7.1
443.24472	1.3
443.35355	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	443.1858
Annotation	Perrottetin F
Peak:m/z	Relative Intensity
51.09270	1.0
51.53671	0.9
53.03947	1.5
55.01873	2.4
55.05503	1.5
58.09301	0.9
63.65958	1.0
65.03962	1.3
67.05505	4.8
69.03423	3.2
69.07068	2.9
71.58624	1.3
71.59050	1.5
77.03938	1.0
79.05508	4.0
81.03417	9.0
81.07062	8.0
83.05004	1.8
83.08634	1.5
87.04479	1.5
89.12926	1.0
91.05482	12.4
93.07038	3.4
95.01347	2.0
95.04966	2.4
95.08649	4.9
103.05460	1.6
105.03392	1.4
105.07037	17.9
107.04983	2.3
107.08607	5.0
109.06534	2.6
109.10156	4.7
115.05447	2.8
116.06219	1.1
117.07042	6.2
119.04951	2.9
119.08592	3.9
121.06503	2.4
121.10161	2.7
123.04446	1.1
123.11718	2.4
128.06242	5.6
129.07030	10.4
130.07806	5.3
131.04933	1.4
131.08580	32.1
133.06516	2.2
133.10144	1.8
135.04379	1.1
135.11678	2.1
141.06973	4.2
142.07813	2.0
143.08559	11.1
144.09433	1.0
145.06494	3.3
145.10133	29.4
147.04395	2.6
147.08072	4.2
147.11696	1.7
149.02399	2.2
149.13254	1.8
151.03871	1.9
153.07001	3.1
154.07779	3.2
155.04889	1.3
155.08565	5.3
157.06505	4.2
157.10141	2.8
159.04472	1.2
159.08066	4.6
160.05157	1.6
160.52762	1.0
161.02380	7.0
161.05992	4.5
163.03928	2.8
165.05637	1.6
165.06967	6.6
166.07814	2.4
167.03406	2.0
167.08539	4.6
169.06494	2.4
169.10162	3.7
171.08064	4.5
171.11740	1.5
173.06084	2.6
173.09605	1.6
175.03870	2.6
175.07512	1.8
178.07791	4.7
179.08592	3.7
180.09352	4.4
181.05098	1.2
181.06522	2.6
181.10086	6.1
182.07304	2.1
183.07999	6.7
183.11665	1.6
185.05957	7.4
185.09648	3.4
185.11505	1.2
185.13246	3.1
187.03931	6.9
189.05482	3.3
189.09116	1.7
190.07881	1.5
193.10135	3.6
195.08080	3.4
195.11705	4.8
197.09578	5.8
199.07547	2.5
201.05424	1.7
201.09081	8.0
203.07036	100.0
204.07375	1.2
205.05006	1.9
205.10214	1.6
207.08144	1.6
208.08922	1.5
209.09688	3.8
211.07556	2.5
211.11325	1.5
213.05513	1.3
213.12749	79.9
214.13123	1.3
215.10631	1.5
221.09657	4.1
223.11205	15.7
224.12009	11.1
225.09146	3.7
227.07051	2.0
228.07750	1.0
229.08533	5.9
239.10710	4.4
241.08586	1.9
241.12256	10.5
243.10181	40.8
249.09151	4.1
253.08647	1.8
255.10309	1.7
257.08078	1.5
267.10239	4.3
271.09521	1.5
281.07990	1.3
285.11295	3.8
289.12195	1.9
299.09174	7.0
302.39886	1.2
349.12292	1.6
363.13394	1.6
367.13300	1.3
377.11426	1.5
379.17181	1.7
383.16641	1.3
389.15454	1.5
391.13461	1.6
392.13910	2.4
395.16794	1.4
397.13617	1.8
397.18387	5.4
407.16595	8.0
409.14087	1.4
412.16193	1.2
413.17657	3.1
415.19052	13.3
423.15900	1.7
425.17490	45.4
426.17813	1.7
443.18582	65.1
443.33517	20.1
444.18835	1.7
449.75745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51023	1.3
52.56037	1.0
53.03940	3.6
57.78739	1.1
59.16455	1.1
67.05488	3.5
69.03401	1.6
69.07081	2.2
70.04224	4.7
74.39334	1.1
75.04491	8.2
79.05501	7.9
81.03423	34.2
81.07051	2.8
89.03922	1.5
91.05479	12.8
93.07038	4.6
95.04967	2.9
95.08600	2.6
99.04476	1.2
103.05471	1.7
105.03409	1.2
105.04540	1.8
105.07008	5.6
106.04173	2.1
107.04973	10.7
109.02921	1.3
109.06526	1.9
109.10162	1.8
111.04451	1.3
117.03388	1.8
119.04908	2.6
119.08573	2.9
121.06507	35.4
123.08099	1.6
131.08585	1.8
133.10146	1.6
134.03598	2.0
135.04468	6.7
137.05992	3.2
139.07567	1.9
145.02849	2.8
146.78198	1.2
147.08104	1.9
147.11691	1.3
149.05991	73.1
151.03879	4.1
151.07600	2.9
152.04260	2.5
152.08369	3.0
153.05472	1.8
153.09087	2.3
154.09344	1.2
159.06543	2.0
161.02316	4.3
161.05966	2.7
165.09106	2.0
167.03418	1.9
167.07054	10.9
173.08075	4.8
175.04008	1.8
175.07607	1.8
177.05484	39.4
181.08621	19.6
185.06038	2.5
191.07088	1.2
203.07042	100.0
205.05006	4.2
207.06532	3.5
209.08105	77.6
213.09016	1.4
223.05731	8.7
241.08354	2.0
241.10725	34.2
351.12189	2.6
361.40707	1.3
379.11804	17.4
381.13202	1.5
402.91968	1.4
411.14432	23.9
443.17261	4.0
443.27542	1.8
443.70190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05507	1.1
56.96564	1.7
65.03925	1.6
67.05495	1.7
69.03419	1.8
69.07071	1.1
79.05495	3.9
81.03414	1.6
81.07068	4.3
83.04932	0.9
85.02900	0.8
91.05494	4.1
93.03407	2.2
93.07050	1.6
95.04961	2.3
95.08601	1.9
97.06541	1.9
97.80664	0.7
99.74460	0.7
105.03385	1.3
105.04526	0.8
105.07021	2.0
105.62632	0.8
107.04971	3.3
107.08578	1.7
109.06495	1.9
109.10152	1.5
111.00791	0.7
113.02336	0.7
115.03961	1.0
115.05482	0.8
117.06988	1.2
119.04968	1.1
119.08601	2.0
121.02883	1.5
121.06516	1.4
125.05994	1.9
125.09655	0.9
126.03118	1.1
129.07108	1.3
131.04915	1.4
131.08574	1.5
133.02892	1.1
135.04424	5.4
135.11792	0.7
137.09654	0.8
141.05478	4.4
141.06982	1.3
143.01418	0.7
143.03355	1.3
145.06490	3.1
145.10130	2.0
147.04390	2.3
147.08017	1.1
147.11667	1.5
149.02330	3.3
149.09657	0.9
149.29356	0.8
151.03923	2.7
153.05470	2.0
155.08553	3.2
157.04994	2.5
157.06396	0.8
158.07248	1.4
159.08069	2.1
159.11708	0.7
160.05238	1.2
161.02383	1.6
161.05952	2.3
161.13316	0.9
163.03914	8.3
165.01831	0.9
165.05463	1.2
165.09151	2.0
167.03432	2.3
167.06961	0.9
169.04994	8.1
173.05975	2.6
173.09607	0.8
175.03900	3.1
175.07510	1.2
177.05409	1.4
179.08592	1.5
181.04968	3.9
181.06459	1.8
183.08090	2.0
185.05981	2.1
187.03905	2.8
187.11079	0.7
189.05510	3.1
191.03435	4.1
197.09631	1.1
201.05565	1.3
201.09053	1.3
203.07036	21.7
205.04980	1.7
207.06546	3.8
209.04483	4.3
211.07556	13.7
213.05460	1.1
214.06221	2.0
215.10651	1.9
221.08049	1.9
223.05957	1.8
225.09174	2.0
227.07040	1.2
229.08624	17.4
239.07085	5.4
241.07040	1.9
242.05809	2.1
243.10185	100.0
244.10506	2.2
257.08105	62.7
258.08426	1.6
269.08026	2.7
287.09146	1.3
292.07401	0.8
311.04898	0.8
321.07596	2.2
353.10101	1.0
383.11301	3.6
407.18442	1.2
411.10580	2.1
415.13895	1.5
425.12277	0.9
425.23154	1.1
443.13333	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	443.1337
Annotation	Sanguinolignan C
Peak:m/z	Relative Intensity
50.77161	0.6
53.03955	0.7
54.97041	0.6
55.01895	0.7
56.11618	0.6
59.04991	3.0
67.05495	1.7
69.03431	1.6
71.12122	1.9
79.05494	1.5
81.03411	1.9
81.07038	2.3
85.02895	1.9
85.81072	0.6
91.05470	2.7
93.07032	2.0
93.35561	0.6
95.04982	1.3
95.08615	1.6
97.02876	1.8
97.06543	0.9
101.02376	2.1
105.07019	2.3
107.04945	1.2
107.08619	0.9
109.02859	1.6
109.10154	1.1
117.06995	1.8
119.03411	2.7
119.08584	1.7
121.06500	2.0
121.10117	1.4
125.05962	0.7
127.03914	1.8
131.03424	0.7
133.02832	1.0
133.10123	1.6
135.39603	0.6
136.05235	2.1
137.09659	0.8
143.08591	1.0
144.49376	0.7
145.10135	1.2
148.05223	1.8
149.02419	1.6
149.06013	0.9
151.03954	0.9
151.07544	13.3
159.11649	0.8
161.02365	1.4
163.03903	2.6
165.05478	2.1
165.09140	2.9
173.04544	0.9
175.03885	1.4
175.07458	0.9
175.11189	0.8
175.14830	0.8
176.04692	1.5
177.05486	1.7
179.07024	8.6
181.05008	1.2
189.05515	1.4
191.03453	5.0
191.07045	1.0
192.04156	2.6
194.58466	0.7
194.66943	0.7
201.05486	9.6
203.03455	3.3
207.06535	25.2
208.07309	4.6
213.76965	0.7
219.06535	20.0
253.05127	0.9
267.10242	1.4
267.66364	0.7
279.06631	1.2
295.09796	1.5
307.05914	0.9
322.08264	0.7
323.09125	4.9
325.14273	1.4
333.07559	1.6
337.10724	2.6
347.09171	1.2
348.09665	1.3
349.10641	1.4
351.08694	2.4
356.68393	0.7
363.12308	4.0
365.10312	5.4
366.10992	2.1
381.13354	100.0
382.13702	2.6
407.11285	2.5
425.12344	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	442.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11976	0.9
55.01864	1.2
55.05511	5.0
56.96551	1.5
57.03436	1.5
59.91964	0.9
59.92590	1.1
69.03411	4.5
69.18044	3.8
69.18468	6.7
70.06599	5.0
71.04996	1.2
72.08158	14.3
73.02932	1.3
79.05486	1.4
81.07075	1.5
82.06542	1.4
84.08135	1.5
85.02880	3.1
91.05465	2.3
95.04942	1.6
95.08608	1.8
97.02892	2.5
98.97568	1.9
104.05019	1.5
106.06563	1.9
107.04949	2.5
107.08595	1.1
109.02926	1.3
113.09653	20.8
114.44371	1.0
115.03921	1.8
116.07079	2.8
118.06569	8.8
119.04940	2.9
119.07328	74.0
120.08076	3.4
121.02785	1.1
121.06541	1.0
122.06038	2.7
123.04453	1.7
124.03975	1.2
124.07571	1.1
127.03988	1.1
130.06491	4.1
131.04880	1.3
131.10715	5.3
131.24524	1.0
133.02908	1.1
134.05096	1.7
134.06020	17.0
135.04379	1.8
135.06810	11.3
150.05466	3.5
176.07076	5.4
182.12994	1.1
183.11409	1.2
188.32335	1.0
193.04980	5.1
194.05386	5.4
209.15445	1.6
210.06844	1.1
225.09158	1.3
235.07555	1.7
237.09106	1.8
252.10210	11.7
254.11739	16.5
256.09671	6.0
269.12863	32.4
270.11133	2.2
280.09601	2.6
289.11661	2.6
298.10678	6.5
306.03363	1.1
308.16425	1.4
315.13388	100.0
316.13641	1.9
323.17538	2.4
324.15872	1.9
325.19366	1.2
368.19629	2.8
369.18170	4.9
379.16617	4.9
397.17413	3.2
414.20291	22.0
424.18591	2.7
425.17340	7.5
442.20001	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	442.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.7
55.01861	7.7
55.05495	4.0
57.03427	9.7
59.04994	2.7
61.02916	6.4
69.03117	2.9
69.03438	31.9
71.05010	14.4
71.08633	12.9
71.58210	2.5
71.58583	3.3
73.02916	6.5
78.34782	2.7
79.05516	3.9
81.03419	34.9
81.07068	13.5
82.06586	2.4
83.04980	6.7
85.02908	84.9
85.06536	3.8
86.73716	2.8
87.00828	33.0
95.08573	3.5
97.02895	26.3
99.04441	18.5
99.08096	15.2
101.98464	2.5
102.05550	6.6
105.01870	38.7
109.02879	28.7
109.06496	9.8
109.10155	3.8
117.09136	100.0
120.08067	2.7
127.03923	74.4
127.07570	5.9
128.04257	3.7
128.07083	5.2
129.01826	4.9
141.09131	33.7
145.04965	26.3
145.08600	5.2
159.02922	12.7
159.10162	8.4
177.11227	40.0
178.78651	3.0
187.09656	5.8
189.03853	3.2
193.04936	9.0
194.05295	11.7
194.16180	3.7
207.10052	3.1
231.05009	15.6
240.58693	2.6
267.12231	4.9
271.52048	2.6
272.67923	2.9
322.09174	3.4
371.13025	6.4
388.04248	3.1
389.14676	3.3
407.15399	3.6
414.20038	3.6
423.47849	2.7
442.19672	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05515	15.4
57.07063	7.7
59.04991	2.4
62.16215	2.2
65.03948	2.7
67.05504	31.7
69.06723	2.9
69.07075	45.9
70.98960	2.0
71.04979	4.0
71.08638	3.0
71.16512	3.2
71.16845	3.9
79.05492	16.7
81.07063	73.0
83.04961	2.7
83.08620	14.6
91.05452	14.2
93.07046	38.6
95.04939	3.1
95.08611	100.0
97.06510	5.5
97.10175	10.1
105.07040	28.5
107.08591	49.1
107.37833	2.5
109.06480	3.3
109.10163	71.0
111.08071	2.9
111.11709	8.8
117.07029	5.9
119.08588	56.5
121.06474	6.1
121.09325	3.5
121.10146	48.3
123.08073	3.9
123.11713	36.4
125.09682	3.5
131.08540	8.9
133.10149	30.2
135.08067	5.2
135.11697	29.0
137.09673	3.5
137.13258	18.8
143.08542	6.0
145.10139	18.5
147.11700	26.1
149.09607	5.7
149.13290	20.4
151.03891	4.2
157.10089	10.5
159.11690	28.9
161.13275	16.9
163.14833	17.1
165.12752	3.6
167.10608	2.8
171.11681	10.8
173.13295	17.1
173.50359	2.4
175.14848	18.2
177.05397	2.4
177.12767	3.7
177.16371	8.0
183.11745	2.9
185.13304	6.9
187.14848	10.3
189.16365	12.6
191.14282	2.9
191.18011	11.6
193.12108	3.7
193.15918	2.4
197.13319	3.8
199.14816	10.2
199.74384	2.8
201.16418	10.6
203.06995	3.0
203.14340	4.1
203.17966	14.0
205.15900	3.7
205.19495	14.7
207.06578	4.3
211.14813	3.4
213.16319	8.2
215.17938	6.6
217.15891	7.2
217.19539	10.0
219.17465	5.1
219.21095	4.2
227.17947	5.5
229.19501	6.9
231.17374	4.7
231.21056	9.3
235.16969	8.6
237.18710	2.2
241.11998	4.2
241.19395	4.3
245.22763	5.3
253.12386	2.4
253.19464	2.8
255.21184	3.3
257.22714	3.8
269.22775	3.5
295.24246	2.8
405.35220	40.7
406.69827	2.5
423.36331	38.1
424.37573	3.3
441.16602	3.1
441.27969	3.5
441.37372	67.9
442.38074	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	441.3735
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
54.66685	2.8
55.05524	20.1
57.07070	7.4
67.05508	37.8
69.03432	3.6
69.07075	48.3
69.54912	17.2
71.04993	8.1
79.05486	26.1
81.07068	84.7
83.04993	8.6
83.08642	15.0
85.06539	5.3
91.05502	38.4
93.07055	65.3
95.04992	6.4
95.08617	100.0
97.06559	7.9
97.10185	5.2
105.07047	49.3
107.08602	70.9
109.06556	7.7
109.10165	78.5
111.08094	4.9
111.11719	4.6
117.07006	4.5
119.08595	51.3
121.06516	7.7
121.10146	56.4
123.08089	3.3
123.11710	33.0
125.09629	6.2
125.29172	2.6
127.11176	6.8
129.07005	3.6
131.08568	18.5
133.10144	38.5
135.08086	6.7
135.11705	35.2
137.09634	7.0
137.13274	12.8
139.11241	5.0
142.07751	3.6
143.08563	11.4
145.10153	28.7
147.11694	35.1
149.09634	8.4
149.13269	31.7
151.03877	8.4
151.11180	8.3
151.14833	6.2
153.12752	5.7
157.10141	13.4
159.11713	26.1
161.13249	17.8
163.11174	4.8
163.14850	16.9
165.12766	4.9
169.10153	4.2
171.11728	12.0
173.13319	19.7
175.11197	3.6
175.14850	21.9
177.12738	4.5
177.16417	12.3
179.14227	2.8
183.11667	5.1
185.13292	6.3
187.14822	15.9
189.16409	12.8
191.17986	6.5
193.15880	5.4
195.17494	4.9
197.13321	4.6
199.14868	8.9
199.58588	2.9
201.16319	14.2
203.07042	9.3
203.14360	3.0
203.17984	7.5
213.16411	10.0
215.18005	9.6
217.15918	3.6
217.19392	4.4
225.16409	4.5
227.17949	9.0
229.19540	9.1
231.17487	4.2
231.21030	3.8
235.16916	6.0
241.19534	6.2
245.19089	3.8
255.21106	4.2
257.22412	3.4
267.10300	3.3
267.16571	3.1
269.22617	4.9
271.24197	3.7
283.24319	4.6
300.72705	3.0
301.25159	4.1
323.27295	3.2
405.35095	10.5
419.92606	3.4
423.36490	44.7
441.24036	3.5
441.37625	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03946	0.7
55.05509	2.5
55.51822	0.5
57.07071	1.4
67.05508	3.4
69.07072	5.6
70.69800	1.5
71.08607	0.5
79.05501	2.0
81.07061	10.5
83.04984	3.2
83.08624	1.9
85.06519	0.6
91.05465	2.5
93.07053	7.6
95.04972	1.6
95.08612	17.3
97.06515	1.2
97.10164	0.9
98.21133	0.8
99.08060	0.7
105.07032	4.7
107.08599	11.3
109.06522	2.2
109.10155	9.9
111.08074	1.4
111.11713	1.3
117.06938	0.6
119.08582	7.0
121.06543	0.8
121.10152	10.4
123.08068	1.8
123.11729	6.0
125.09611	0.8
131.08575	1.8
133.10124	5.8
135.08063	2.7
135.11694	9.5
137.09642	1.8
137.13269	3.3
139.11208	0.8
143.08629	0.9
145.10124	3.8
147.08047	0.6
147.11705	3.5
149.09621	12.8
149.13272	3.7
151.11171	0.9
157.10144	0.6
159.11691	3.2
161.13231	2.6
163.11198	1.4
163.14844	1.6
165.12608	0.6
171.11710	0.5
173.13251	2.5
175.14793	3.2
177.12804	1.2
177.16389	3.0
179.14378	0.7
187.14894	1.3
189.16385	4.6
191.17934	4.1
199.14914	0.7
201.16302	0.7
203.17984	1.4
205.19528	1.2
207.17653	0.6
215.17989	3.6
217.15887	0.9
217.19582	0.9
231.17426	1.3
233.19028	3.6
235.16977	2.1
243.21016	1.0
245.19153	0.6
259.37521	0.6
261.22018	0.6
267.49286	0.6
269.22650	0.8
287.23669	7.1
301.25397	0.9
410.14963	0.6
423.36215	2.3
441.37320	100.0
442.37793	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05519	10.7
57.03429	2.4
57.07067	2.6
57.81185	1.7
63.72197	1.6
65.03962	1.9
67.05510	23.2
69.03426	2.3
69.07069	19.0
69.22887	16.8
71.75977	1.5
79.05489	16.6
81.06574	2.7
81.07062	47.5
83.08615	8.5
90.66628	1.7
91.05480	16.3
93.07050	34.4
95.04982	2.1
95.08614	100.0
97.06524	2.3
97.10168	5.5
98.20717	3.4
105.07036	32.7
107.08603	58.0
109.10165	47.8
111.08093	28.3
111.11706	1.9
117.07050	2.7
119.07776	3.1
119.08593	38.6
121.10156	41.9
121.11021	2.6
123.08025	3.1
123.11726	19.8
125.09652	3.7
129.07031	2.3
131.08562	11.1
132.60098	1.8
133.10123	31.0
135.11713	29.5
137.09616	3.4
137.13219	10.1
139.11183	12.6
143.08565	5.9
145.06453	3.1
145.10120	13.6
147.11705	25.1
149.13254	23.4
151.11172	2.7
153.12746	3.1
157.10158	4.3
159.11719	19.9
161.13260	23.4
163.14845	26.4
165.09100	4.4
165.12761	5.4
171.11742	4.5
173.13261	14.7
175.14842	20.2
177.16425	17.2
185.13237	4.8
187.14841	14.1
189.16386	17.0
191.14397	2.3
191.17970	6.5
193.15952	4.5
195.17500	8.8
199.14842	3.7
201.16418	13.9
203.17976	25.8
205.15974	3.2
207.17419	8.9
213.16364	5.3
215.17973	17.6
217.15810	1.9
217.19551	12.2
219.17455	8.7
221.19011	6.0
227.17964	5.7
229.19489	18.0
233.19014	7.1
235.20546	2.3
241.19531	2.3
243.21040	2.9
245.19020	3.0
247.20581	14.2
255.21124	4.4
257.22687	7.4
259.20602	2.5
260.45407	1.6
261.22180	3.7
269.22629	3.7
271.24118	2.7
273.22330	3.0
275.23700	2.7
283.24207	2.9
285.25714	1.7
287.23657	3.9
301.25320	2.1
311.27521	2.0
329.28525	2.2
353.27979	1.8
367.22723	4.7
369.31815	2.5
381.75253	1.7
405.35260	4.9
411.36270	4.0
413.61011	2.0
423.36172	34.7
441.26309	5.0
441.37302	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.01868	3.2
55.05521	20.8
56.96549	5.0
57.07074	7.7
67.05512	41.5
69.03419	4.3
69.07069	37.2
71.05007	5.7
71.56413	4.6
79.05514	22.5
81.03429	3.0
81.07058	65.1
83.04992	4.4
83.08630	20.1
85.02893	4.4
85.06580	4.6
91.05486	27.0
93.07056	59.3
95.04961	10.7
95.08612	100.0
97.06552	5.2
97.10195	6.5
98.97594	4.3
105.07041	46.4
107.08596	72.9
107.09292	5.7
109.02901	3.5
109.06526	9.5
109.10158	71.6
110.18310	3.0
111.08086	9.7
111.11749	5.1
116.98640	3.4
117.07049	8.6
119.08588	73.8
121.06498	5.7
121.10147	59.7
123.08094	3.7
123.11705	42.1
125.09638	5.2
129.07043	4.9
131.04865	3.2
131.08574	18.4
133.06541	3.4
133.10146	56.8
134.30324	2.6
135.11714	34.2
137.09645	9.8
137.13266	10.8
139.11174	10.7
141.06978	2.9
142.07726	3.4
143.08533	7.3
145.06505	12.9
145.10127	37.5
147.11711	33.0
149.09692	4.0
149.13260	26.8
151.11150	2.9
151.14806	4.6
153.12782	15.6
155.08534	4.7
157.10106	14.5
159.11697	36.4
161.13281	30.4
163.11153	7.0
163.14871	23.4
165.09109	17.6
165.12743	3.7
169.10117	4.7
171.11688	9.4
173.13312	21.8
175.11279	3.4
175.14870	27.0
177.05493	6.3
177.12834	5.2
177.16377	22.7
183.07996	3.5
185.09642	3.2
185.13303	8.7
187.14754	14.4
189.16417	29.6
191.14436	3.9
191.17975	15.4
193.15994	4.5
195.11728	5.5
199.14876	10.0
201.16409	30.9
203.17969	36.0
205.05035	4.9
205.15906	6.6
205.19601	3.4
207.17432	14.9
213.16431	6.4
215.17955	15.5
217.19547	19.2
219.17407	15.9
221.10439	3.3
227.17859	6.6
228.13824	3.8
229.19638	14.6
231.17624	3.2
233.19075	15.4
241.19591	7.1
243.21109	9.5
245.19119	4.5
247.20587	6.1
255.21170	5.9
259.20624	5.5
262.68521	3.1
269.22714	7.4
271.24274	3.9
273.14804	5.9
273.22296	4.9
279.35666	3.2
283.05948	3.2
285.22043	8.0
287.23813	6.7
299.23779	3.7
349.21964	6.5
367.22812	9.6
405.35153	11.7
411.16144	3.0
423.10809	4.4
423.36279	66.9
441.11475	5.1
441.16721	7.6
441.27466	14.2
441.37396	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2275
Annotation	11beta-Hydroxydihydrocedrelone
Peak:m/z	Relative Intensity
51.90355	0.7
55.05506	2.4
57.03433	2.0
57.07064	0.9
67.05513	7.3
68.32635	0.8
69.07078	5.0
71.18394	2.1
75.42178	0.8
75.72423	0.7
78.90091	1.0
79.05486	2.5
81.07052	5.6
82.15858	1.0
83.04955	0.7
83.08604	1.3
88.23946	0.7
91.05489	10.1
93.07069	4.9
95.04964	1.2
95.08589	3.5
97.06563	1.5
100.51498	0.9
103.05511	1.4
105.07036	14.0
107.08601	4.8
109.06534	1.0
109.10165	16.2
115.05428	1.0
117.07012	7.6
119.08588	65.5
120.08921	1.1
121.06523	9.4
121.10169	3.0
129.07001	2.1
130.07748	2.2
131.08585	7.3
133.10133	3.2
135.04420	1.6
140.51913	0.8
142.07744	0.8
143.08553	3.1
144.09369	3.0
145.10138	28.9
147.11684	2.5
149.06033	3.6
149.42395	0.8
151.03899	7.8
157.10135	3.9
159.10432	1.5
159.11697	23.9
161.05991	2.8
161.09636	1.2
161.13232	1.0
164.04680	6.8
171.11725	1.4
177.05481	43.4
178.06113	0.8
192.04198	6.3
193.04955	0.9
199.11525	0.9
199.14862	1.4
201.16405	18.7
203.07039	1.4
205.04976	52.5
206.05769	5.4
207.06537	100.0
208.06897	1.8
217.15930	1.6
297.11249	1.5
299.12878	1.1
310.28357	0.9
323.12689	1.6
325.14371	11.2
331.26535	1.1
349.27304	1.2
407.22202	16.9
423.21899	1.7
423.31146	1.4
441.22333	1.0
446.24936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59494	0.9
55.05510	3.6
55.59673	0.9
65.03948	0.9
67.05506	2.8
69.03419	0.9
69.07066	13.6
70.78416	0.8
71.04988	0.9
71.58398	1.3
74.20116	0.7
77.03893	0.8
79.05480	2.3
81.07070	4.8
83.08626	1.4
91.05474	6.4
93.07026	4.9
95.04981	2.0
95.08618	3.8
103.05497	0.8
105.07034	8.6
107.04960	1.8
107.08598	3.0
108.69518	0.9
109.10174	5.1
117.07044	1.3
119.08580	9.1
121.06507	24.2
121.10103	2.0
123.08052	1.0
123.11703	1.2
129.07034	1.1
131.08578	3.9
133.10164	5.3
135.04434	2.6
135.08075	1.9
135.11694	1.1
143.08539	1.3
145.10109	8.0
147.08035	0.8
147.11713	2.8
149.02296	0.9
149.06012	5.6
149.09663	1.1
151.03903	8.8
157.10117	1.8
159.11694	8.0
161.05966	0.9
161.09662	1.5
161.13281	1.3
163.03917	1.8
164.04703	0.9
170.03929	0.8
173.13303	1.0
177.05472	82.3
177.12660	1.0
178.06046	2.8
189.16359	2.5
192.04283	1.1
193.04956	2.4
199.14880	1.1
201.16287	2.7
203.07106	2.0
205.04968	100.0
206.05743	7.3
207.06548	19.2
209.04469	4.2
217.04924	1.1
220.09605	0.9
231.06531	0.9
233.08125	2.5
245.08121	2.1
267.10291	1.3
269.08099	1.0
297.11145	1.8
299.09189	0.9
313.10773	1.0
323.12753	3.7
323.23328	1.0
355.98364	1.0
385.08295	1.1
389.70300	0.9
407.22195	5.4
423.21457	1.6
441.22824	4.5
441.28842	1.5
441.37659	0.9
442.23010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
54.62656	1.0
55.05508	7.1
57.07069	1.3
60.85673	1.0
62.38297	0.9
65.03944	1.1
67.05511	12.7
69.07072	40.4
69.07454	2.0
69.32722	8.1
72.11282	1.0
79.05479	5.2
81.07065	11.6
83.08633	1.5
87.47190	0.9
91.05487	11.5
91.18153	0.9
93.07053	7.1
95.04966	6.8
95.08605	9.3
97.06528	1.2
98.21484	2.3
103.05511	1.2
105.07037	17.2
107.04953	2.2
107.08611	7.7
109.06532	3.2
109.10162	11.9
115.05481	1.6
117.07020	2.9
119.04982	1.2
119.08582	18.7
121.06511	31.0
121.10155	3.8
123.04413	1.6
123.08095	1.3
123.11714	1.7
125.05965	2.3
128.06224	1.4
129.07033	1.3
131.08588	4.3
133.06485	1.3
133.10139	6.3
134.03592	1.7
135.04451	4.9
135.08076	3.7
135.11684	2.4
137.05994	1.1
142.07809	1.7
143.08594	2.4
145.06485	1.4
145.10162	5.6
147.08086	1.2
147.11679	2.9
149.06010	8.3
149.09557	1.7
151.03914	20.6
153.53941	0.9
157.10129	2.1
159.11702	3.7
161.06000	1.9
161.09642	2.5
163.03914	3.9
163.14795	1.1
164.04695	3.2
173.13223	2.1
175.11273	2.0
177.05481	96.3
178.06219	4.7
187.07510	1.1
189.05310	1.0
189.16409	2.8
190.06313	2.2
191.03395	2.4
191.07054	1.6
192.04117	2.8
193.04962	5.5
198.29567	1.1
199.14961	1.0
201.16426	2.9
203.06976	1.7
205.04976	100.0
206.05746	25.8
207.06549	35.0
217.05020	2.4
218.05861	1.1
219.06511	3.2
233.08107	19.5
243.06538	1.2
243.10118	1.4
245.08118	3.1
253.08441	1.2
257.08032	1.2
267.10522	1.3
269.08020	1.4
285.11279	2.8
297.11295	2.2
313.10623	4.8
315.08551	2.0
323.12759	5.0
347.17120	1.1
407.22232	8.6
441.22690	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	441.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.8
57.07075	2.5
59.38740	1.1
67.05493	5.1
69.07073	9.3
79.05495	2.7
79.97062	1.1
81.07053	13.7
91.05489	7.6
93.07055	9.8
93.68718	1.2
95.04955	3.9
95.08609	15.4
105.07026	10.8
107.08617	7.1
109.10150	5.1
115.05466	1.3
117.07040	2.6
119.04948	3.6
119.08596	9.3
121.06519	2.2
121.10184	3.0
123.11710	1.3
125.05984	1.3
129.07001	2.7
131.08591	6.8
133.10129	4.5
135.11697	3.8
137.06000	3.0
137.13260	10.4
141.64554	1.1
143.08603	4.9
145.10143	16.8
147.11720	3.2
149.05939	2.8
149.13260	2.0
151.03914	100.0
157.10143	5.4
159.08052	2.3
159.11667	6.6
171.11699	5.2
173.09634	1.5
173.13240	2.4
177.05470	3.9
177.12773	2.6
185.13203	1.9
187.11229	9.0
191.07050	10.4
191.10660	1.7
193.04916	1.9
199.11191	3.7
217.12239	3.1
227.17961	7.3
229.36075	1.2
237.16562	1.6
242.77910	1.3
252.29303	1.1
255.17461	18.5
273.18506	2.6
337.14365	5.9
371.96442	1.3
405.20691	6.0
441.23117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05511	7.9
55.14663	1.3
57.07087	2.2
57.51212	1.2
59.04992	1.9
60.88552	1.1
67.05505	10.8
69.03419	2.3
69.06725	1.8
69.07073	23.4
71.56234	1.9
71.56587	1.4
75.83036	1.3
79.05486	8.5
80.37647	1.1
81.07065	17.9
83.08614	3.5
91.05475	12.5
93.07056	12.3
95.04964	6.8
95.08612	14.6
97.06506	2.5
103.05451	1.4
105.07037	19.0
107.04956	2.2
107.08603	14.3
109.06526	6.6
109.10162	12.5
111.08091	2.1
111.11716	2.3
117.07042	6.1
119.08589	21.6
121.06517	32.4
121.10146	9.3
123.08076	5.6
123.11725	4.1
125.09610	1.5
129.07027	2.1
131.08559	7.4
132.09409	1.7
133.06517	2.0
133.10127	13.9
134.03645	1.8
135.04449	3.3
135.08086	6.6
135.11699	5.1
137.09691	2.3
137.13255	2.1
142.07767	2.6
143.08575	3.5
145.10135	11.8
147.08020	3.7
147.11665	7.8
149.02330	1.8
149.05989	8.1
149.09631	2.4
149.13240	4.0
151.03897	20.5
151.07562	2.3
157.10144	4.8
159.11713	11.1
161.06010	4.1
161.09596	6.0
161.13312	2.6
162.03168	1.6
163.03981	2.1
165.09116	5.7
171.11638	1.8
173.09566	1.9
173.13301	3.2
175.11212	4.8
175.14809	5.4
177.05478	92.8
177.12758	12.8
178.06050	3.1
185.13281	1.4
189.05551	2.3
189.16345	6.1
191.03329	1.3
191.14439	1.9
193.05042	2.2
193.15965	1.3
199.14917	3.1
201.16454	4.1
203.07005	6.5
203.14302	1.5
205.04973	100.0
206.05814	7.6
207.06551	18.3
217.05022	2.2
217.15918	12.5
219.06566	8.4
231.06528	6.2
233.08128	5.0
235.16904	11.7
241.08586	1.8
243.06604	1.8
245.08023	2.1
257.08191	2.1
259.09702	2.1
269.08044	2.5
283.09592	1.3
287.09195	2.9
323.12943	1.5
364.67831	1.5
399.21582	1.6
407.22195	10.4
409.20099	5.9
423.21600	6.0
441.22421	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	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01868	2.7
55.05502	5.1
57.03425	2.8
57.07071	2.5
61.02925	2.1
64.82024	1.3
67.05495	6.1
68.99777	2.2
69.03436	14.4
69.07072	12.1
70.68732	1.4
70.69077	3.2
71.04977	1.9
73.02917	2.0
76.99792	1.0
79.05486	6.0
81.03422	4.8
81.07061	10.3
82.75898	1.1
83.04991	1.5
83.08627	5.3
85.02905	22.2
85.06540	4.5
86.77623	1.4
87.00829	10.0
91.03961	1.7
91.05483	7.9
93.07043	13.5
95.04977	2.7
95.08041	2.0
95.08611	24.1
97.02900	18.6
97.06511	1.3
97.22495	1.1
99.04469	2.3
101.02361	2.6
105.01872	9.4
105.07025	18.5
107.08594	26.7
109.02901	5.8
109.06490	2.1
109.10166	14.1
111.08098	4.0
115.03931	3.3
115.05578	1.1
117.01869	1.2
117.07006	2.8
119.08587	46.0
121.10147	38.2
123.08044	2.2
123.11713	3.7
125.02360	4.8
125.09618	1.4
127.03927	14.5
127.04778	1.4
129.01820	3.2
131.08577	4.6
133.10138	41.0
134.10922	2.1
135.08038	1.9
135.11703	9.4
137.09637	1.9
143.03429	3.3
143.08553	1.5
144.09357	1.4
145.04976	5.1
145.10097	10.4
147.02872	2.0
147.11693	11.6
149.09682	2.1
149.13269	3.4
157.10138	2.4
159.02914	3.6
159.11673	7.3
160.12550	1.6
161.13239	7.6
163.14819	1.6
173.13310	5.7
175.14832	100.0
176.15123	2.8
177.16396	36.6
187.14854	9.0
189.03967	1.8
189.16281	1.7
193.15910	11.0
199.14809	1.8
201.16415	2.3
202.51561	1.2
205.15855	25.5
213.03737	1.2
216.02849	1.2
227.10707	1.3
229.03394	2.3
231.05023	4.2
241.15854	2.2
262.52499	1.5
265.16071	2.1
283.16937	4.4
289.05243	1.3
301.17975	2.7
405.18961	3.2
423.20071	2.8
441.16492	2.4
441.21341	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	441.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01863	4.2
55.05503	12.3
57.03424	2.4
57.07055	2.3
65.03941	1.8
67.05508	16.4
68.99780	2.4
69.03438	14.8
69.07075	12.6
71.56309	2.6
73.02920	2.2
79.05480	7.4
79.54125	1.8
81.03431	9.1
81.07064	18.9
83.04964	6.3
83.08611	5.1
85.02912	16.8
85.06519	6.5
87.00806	6.8
91.05475	8.8
93.07056	17.3
95.04969	6.3
95.08616	26.3
97.02889	13.8
97.06534	4.3
97.10193	4.6
99.04440	3.1
99.08085	6.2
105.01862	3.5
105.07037	13.5
107.08593	25.3
109.02868	4.9
109.06507	9.0
109.10165	37.4
111.08068	5.9
115.03964	3.2
117.07027	3.8
119.08582	33.0
121.06536	3.0
121.10149	28.3
123.08081	4.2
123.11720	5.5
125.02384	4.7
125.06026	1.8
125.09615	5.2
127.03906	13.6
129.01807	2.6
131.08574	4.8
133.10138	26.4
134.47394	2.0
135.08038	4.0
135.11705	17.3
137.05968	2.7
137.09625	6.8
139.73985	2.1
145.04927	2.6
145.10097	8.1
145.61365	2.0
147.08014	2.8
147.11691	8.6
149.13263	7.9
153.08998	1.9
157.10092	3.1
158.01672	2.1
159.11714	8.5
161.13261	7.7
163.07483	2.0
164.59290	2.0
171.11729	2.1
173.13266	3.8
175.11238	1.9
175.14841	53.2
177.12798	2.2
177.16406	21.2
187.14825	8.3
191.14362	3.7
193.12019	3.3
193.15886	12.8
205.15891	11.8
209.15359	2.1
209.59169	2.2
211.16885	3.2
215.14191	2.0
231.05051	3.9
245.06201	2.2
245.11736	2.2
283.16876	4.2
289.05222	7.4
301.18079	3.8
305.24857	2.8
319.19107	2.8
355.17209	8.2
385.05746	2.1
397.18396	34.2
405.18994	3.5
423.20038	5.1
441.17242	100.0
441.22818	3.3
442.17554	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	441.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
53.98234	0.9
55.01884	0.8
55.05508	1.9
61.50200	0.9
67.05505	1.7
68.53938	0.8
69.07034	0.7
69.41372	6.8
71.05002	3.3
79.05496	2.5
79.40088	0.9
81.07069	2.4
83.04958	0.9
83.08634	2.5
85.02906	1.7
91.05457	1.5
93.07027	2.3
95.04980	1.2
95.08611	1.9
97.02899	0.9
97.10149	1.1
99.04478	0.9
99.08116	1.5
105.07059	1.2
107.08563	1.7
109.06528	1.3
109.10153	2.3
111.33793	0.8
117.59693	0.8
119.08588	2.3
121.06518	0.8
121.10148	1.5
123.11724	1.1
127.03935	1.3
133.10139	2.1
147.38962	1.0
157.03432	0.9
163.07591	0.9
175.14819	1.5
203.05354	2.8
227.05405	1.6
243.04753	1.6
245.06348	9.1
271.04218	1.6
287.03769	17.9
289.05328	100.0
290.05786	2.1
310.36743	0.8
313.88727	0.9
355.17352	2.2
391.27075	1.0
397.18396	15.1
441.17346	98.3
441.24097	6.2
442.17633	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	441.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.0
55.01864	4.8
55.05513	6.4
57.03434	4.6
67.05508	19.2
68.98237	2.3
68.99791	2.3
69.03433	26.4
69.07075	11.4
70.06593	2.6
71.01369	5.9
71.04990	9.0
71.15963	2.6
71.16291	2.0
73.30556	1.7
79.05503	9.3
81.03419	62.3
81.07061	16.8
83.04973	8.0
83.08614	4.9
85.02903	37.7
86.09727	1.9
87.00829	5.8
91.05489	7.4
93.07031	10.5
95.04971	4.5
95.08620	25.1
97.02893	37.8
97.06534	2.6
99.04471	19.0
105.07034	12.2
107.08600	18.1
107.46790	2.4
107.67033	2.1
109.02884	61.4
109.06537	7.5
109.10164	32.3
119.08571	17.3
120.68420	2.0
121.10158	6.4
123.08073	8.6
123.11739	11.6
127.03929	100.0
131.08522	2.2
133.10130	10.1
135.11700	23.6
137.09612	9.6
141.65553	1.9
143.08522	2.2
145.05035	2.3
147.11658	2.1
149.13257	4.4
151.11269	2.2
151.14835	3.7
161.13261	2.6
171.11873	2.2
175.14839	17.0
187.05965	2.4
193.11996	3.3
193.15884	20.8
197.77829	2.4
211.16913	10.2
213.03957	28.8
221.15417	3.1
221.33128	2.5
231.04987	5.5
239.16428	4.5
245.06340	3.2
260.60568	2.0
268.18359	2.0
279.15839	2.6
287.03705	11.3
289.05396	14.0
301.17935	5.2
319.18954	6.4
397.18338	10.4
423.15674	5.9
423.20248	6.4
441.16995	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.4
57.07089	0.4
59.28992	0.4
63.44731	0.4
69.07080	0.6
69.26379	4.5
70.06630	0.4
79.05491	1.0
81.03398	0.5
81.07061	1.7
83.47982	0.5
85.02885	0.6
89.52512	0.5
93.07052	1.4
95.08641	0.8
97.06541	0.4
99.08128	0.5
105.07033	0.9
107.08622	1.3
133.10204	0.6
135.11678	0.6
145.10135	0.5
159.34001	0.4
175.11037	0.6
185.04230	0.6
193.12062	2.7
201.03671	1.4
203.05280	2.0
204.15894	0.5
221.11392	0.7
227.05186	0.6
245.06352	3.3
261.18185	0.7
263.19785	1.6
271.04285	0.6
289.05225	3.5
321.18457	0.6
355.17319	9.1
379.17130	0.9
397.18362	30.3
398.18704	1.3
441.17313	100.0
441.24442	20.9
442.17749	3.2
442.23337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03986	0.8
53.03948	0.8
55.05506	2.6
60.58535	0.8
67.05494	1.5
69.03417	0.9
69.07076	1.0
71.02201	1.4
79.05499	1.5
81.03437	1.8
81.07066	4.2
83.04996	1.2
85.02879	1.2
91.05460	1.3
93.07050	2.2
95.08596	3.9
97.06552	0.9
97.10177	3.0
101.10954	0.8
107.08578	2.3
109.10173	3.2
114.24255	0.8
119.08598	1.4
121.10124	1.1
123.08054	0.9
123.11723	1.5
124.07602	0.7
125.09682	1.5
127.03944	1.6
127.72980	0.7
131.08560	1.0
133.10135	1.3
135.08092	1.2
135.11719	2.1
143.10750	0.9
153.09828	0.7
175.14928	1.5
193.12073	2.1
193.15846	1.3
200.68549	0.7
203.05318	0.9
221.11443	0.7
230.73662	0.8
243.04770	1.8
245.06361	2.8
287.03796	11.8
289.05292	6.8
355.17252	4.3
397.18396	28.0
397.23633	1.4
441.17346	100.0
442.17712	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	441.1734
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
50.83520	0.8
53.03948	4.1
55.05500	2.3
57.03437	1.1
58.92023	0.9
65.08170	0.8
67.05497	5.1
68.99776	1.4
69.03433	8.7
69.07048	3.7
70.06566	1.8
71.01331	1.4
71.04983	2.8
71.56461	1.0
79.05467	2.7
81.02984	1.1
81.03422	15.8
81.07063	6.8
83.04980	2.1
83.08627	1.1
85.02918	8.3
86.09715	2.1
87.00807	2.1
91.05468	3.0
93.07069	4.3
95.08613	7.9
97.02896	8.7
97.06542	1.3
99.04458	6.2
105.07003	3.1
107.08617	5.1
109.02879	15.3
109.06527	1.4
109.10163	8.7
119.08583	7.6
120.08125	1.9
121.10143	2.6
123.08044	2.3
123.11695	3.2
127.00074	0.9
127.03919	28.9
133.10129	4.7
135.11697	5.8
137.09624	2.5
143.08617	0.9
145.10138	1.1
149.13260	1.6
151.11215	1.1
175.14832	6.7
189.29675	0.9
192.80037	0.8
193.04930	2.5
193.11989	4.1
193.15875	5.7
201.03728	1.2
211.16969	2.2
213.03981	6.8
221.15582	0.9
227.05273	1.9
231.05125	2.2
243.04697	4.7
245.06329	4.4
271.04092	2.2
274.35583	0.9
275.07648	0.9
287.03745	27.3
289.05322	23.8
289.08478	0.7
355.17303	2.1
379.17014	1.5
397.18353	16.9
405.19312	1.0
407.61765	0.9
423.16125	20.0
423.21121	1.2
424.16196	1.2
441.17291	100.0
442.17682	3.3
449.25974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88710	0.2
52.27704	0.2
53.03949	0.2
55.05507	0.2
57.03462	0.2
67.05482	0.2
68.99784	0.2
69.03416	0.8
69.07059	0.3
69.78123	1.0
70.06573	0.3
81.03401	0.7
84.12507	0.2
84.49789	0.2
85.02899	1.1
87.00835	0.5
97.02909	0.5
98.97654	0.2
99.04462	0.3
105.03391	0.5
109.02856	0.5
121.10136	0.2
124.07566	0.2
127.03883	0.7
133.02885	0.6
137.05981	0.2
150.03156	1.2
159.02946	0.2
161.02357	2.8
163.03864	0.2
165.05519	0.3
177.05487	0.5
178.02626	10.4
179.03311	0.4
193.04973	100.0
194.05315	1.5
203.42047	0.2
205.05005	0.3
215.75742	0.2
219.01561	0.2
235.05966	0.6
331.69702	0.2
355.10278	2.4
423.08957	0.3
441.09842	1.7
441.16830	1.6
443.84692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.05500	0.5
59.97820	0.1
67.01868	0.6
67.05494	0.3
68.99794	0.4
69.03424	0.7
69.07062	0.3
70.06554	0.2
70.61217	0.1
70.61544	0.4
71.04991	0.2
72.08158	0.2
77.62563	0.1
78.99579	0.1
79.05485	0.2
81.03415	0.6
81.07059	0.4
83.08586	0.2
85.02909	0.9
86.09695	0.4
86.58266	0.2
87.00826	0.2
91.05480	0.4
93.07034	0.3
95.04955	0.1
95.08611	0.5
97.02889	0.3
98.97622	0.2
99.04477	0.2
105.06983	0.2
107.08559	0.5
109.02882	0.7
109.10159	0.3
119.08558	0.3
120.08070	0.3
121.10190	0.2
123.11710	0.2
125.05975	0.6
127.03899	1.0
127.72548	0.2
131.08575	0.2
133.10150	0.2
136.07555	0.2
137.05911	0.2
145.10159	0.1
147.04402	0.6
147.11736	0.1
151.03906	0.7
153.01906	0.7
169.04980	0.6
193.04971	100.0
194.05295	1.6
205.62798	0.2
211.14427	0.1
214.63298	0.3
219.13284	0.2
223.63774	0.3
228.13867	1.2
230.35506	0.2
237.14359	2.3
237.64505	0.4
246.14914	8.3
246.65057	1.7
264.00424	0.2
289.05432	0.2
307.06082	0.2
337.07199	0.3
355.10303	0.7
355.17966	0.2
373.19226	0.2
441.10547	1.1
441.16867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	1.2
56.96568	17.0
59.66000	0.7
63.06984	0.7
69.03432	1.1
70.55247	1.6
70.55579	1.1
84.96042	7.3
86.64994	0.9
97.02874	1.4
97.36497	0.8
98.97589	100.0
99.97961	0.8
107.12970	0.7
110.97573	39.6
112.99137	4.6
116.98627	23.9
117.28011	0.8
124.99124	5.0
127.00692	2.4
128.98613	22.3
131.00174	3.0
134.99667	2.9
138.05556	1.2
140.98599	12.0
143.00177	15.9
144.98094	1.8
145.01688	1.5
146.99680	5.1
152.98601	6.5
155.00188	0.9
156.98048	1.1
158.99664	41.8
161.01233	8.8
163.02768	0.9
170.99660	26.5
173.01247	2.7
174.11308	2.4
174.99225	1.0
177.00714	19.6
177.02162	1.4
179.02251	1.5
182.99669	21.9
183.01213	1.4
185.01251	1.1
187.02734	1.0
189.00716	17.3
191.02289	0.8
194.99689	1.2
201.00717	50.1
202.01015	0.8
203.02255	1.2
207.01805	3.5
213.00751	4.3
219.01781	40.0
224.02377	1.1
231.01720	4.8
233.03395	1.3
237.02863	12.3
242.03412	1.1
243.01791	20.7
249.02837	2.2
261.02838	81.6
262.03204	1.4
269.05688	1.4
270.60181	0.9
273.02789	10.3
275.04297	1.0
276.68472	0.7
279.03885	42.2
291.03909	15.3
291.06854	0.7
293.05585	1.2
297.05087	1.8
302.05402	1.8
303.04047	1.1
307.07214	1.4
309.05048	1.7
309.08627	1.6
311.06503	1.3
321.04944	36.3
323.06519	1.8
333.04956	4.7
337.08084	1.9
351.06046	7.1
381.07037	3.9
399.08069	2.4
423.12531	0.9
431.33896	0.8
441.09070	18.3
441.14929	1.5
441.25345	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	1.2
56.96568	17.0
59.66000	0.7
63.06984	0.7
69.03432	1.1
70.55247	1.6
70.55579	1.1
84.96042	7.3
86.64994	0.9
97.02874	1.4
97.36497	0.8
98.97589	100.0
99.97961	0.8
107.12970	0.7
110.97573	39.6
112.99137	4.6
116.98627	23.9
117.28011	0.8
124.99124	5.0
127.00692	2.4
128.98613	22.3
131.00174	3.0
134.99667	2.9
138.05556	1.2
140.98599	12.0
143.00177	15.9
144.98094	1.8
145.01688	1.5
146.99680	5.1
152.98601	6.5
155.00188	0.9
156.98048	1.1
158.99664	41.8
161.01233	8.8
163.02768	0.9
170.99660	26.5
173.01247	2.7
174.11308	2.4
174.99225	1.0
177.00714	19.6
177.02162	1.4
179.02251	1.5
182.99669	21.9
183.01213	1.4
185.01251	1.1
187.02734	1.0
189.00716	17.3
191.02289	0.8
194.99689	1.2
201.00717	50.1
202.01015	0.8
203.02255	1.2
207.01805	3.5
213.00751	4.3
219.01781	40.0
224.02377	1.1
231.01720	4.8
233.03395	1.3
237.02863	12.3
242.03412	1.1
243.01791	20.7
249.02837	2.2
261.02838	81.6
262.03204	1.4
269.05688	1.4
270.60181	0.9
273.02789	10.3
275.04297	1.0
276.68472	0.7
279.03885	42.2
291.03909	15.3
291.06854	0.7
293.05585	1.2
297.05087	1.8
302.05402	1.8
303.04047	1.1
307.07214	1.4
309.05048	1.7
309.08627	1.6
311.06503	1.3
321.04944	36.3
323.06519	1.8
333.04956	4.7
337.08084	1.9
351.06046	7.1
381.07037	3.9
399.08069	2.4
423.12531	0.9
431.33896	0.8
441.09070	18.3
441.14929	1.5
441.25345	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
67.05503	1.1
68.99799	2.3
69.57283	5.6
79.05489	2.5
81.03425	1.0
81.07056	7.1
91.05488	11.5
91.06021	1.5
95.08604	3.2
97.02890	1.1
103.05424	0.9
105.07032	74.8
107.08578	1.0
109.02905	1.3
109.10202	1.0
111.00816	6.4
121.10108	1.6
127.03919	100.0
133.06488	4.6
175.07596	4.5
218.47766	0.8
248.76251	0.8
259.09674	66.2
260.84467	0.7
382.08618	0.8
399.92282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	0.7
56.96568	11.9
58.51452	0.6
61.52420	0.6
63.50144	0.6
67.05501	0.9
69.07045	0.7
69.51314	2.9
69.51765	1.6
71.95259	2.8
79.05482	1.0
80.03340	0.6
91.05465	1.0
95.08611	1.3
98.20701	1.1
98.97591	73.8
105.07030	1.6
109.10122	0.9
116.98628	31.5
121.10171	0.6
131.08586	0.9
134.99673	5.5
140.00192	2.1
143.08549	1.4
145.06435	3.0
147.11636	0.7
157.10143	2.5
159.11719	4.0
165.09134	1.3
171.08031	0.8
177.05437	1.4
199.14915	2.0
205.04994	1.8
217.15889	0.6
241.03851	1.2
251.02292	1.4
257.01196	3.6
273.14865	1.4
275.02414	3.2
283.02734	0.6
299.02255	1.2
299.70511	0.7
301.04013	1.3
314.04431	0.9
317.03278	1.2
325.03827	3.8
327.05325	1.2
340.02521	1.0
341.03409	2.1
342.04144	1.2
343.04926	1.9
344.02039	0.8
349.21591	1.3
359.04547	3.5
367.22775	1.5
369.02829	2.0
370.03705	1.0
371.04498	0.9
373.06046	1.4
380.02158	1.1
383.04480	5.7
387.03796	4.9
401.05502	2.8
402.02322	0.9
405.04791	0.8
405.20782	1.0
411.03885	78.5
412.04163	2.8
426.06223	15.4
428.99097	1.7
429.04974	32.9
441.08612	100.0
441.25745	4.1
442.08954	3.7
444.07224	1.8
452.06445	4.1
459.09671	36.7
460.10123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01866	0.9
55.05506	2.7
56.05041	4.3
57.03433	2.2
58.06598	2.7
59.05009	1.6
61.02924	1.0
65.03941	1.1
67.05508	5.4
69.03436	5.1
69.07061	1.7
70.06586	1.8
70.46836	1.4
71.04990	2.8
72.04511	0.8
72.08156	2.1
73.06573	1.5
79.05502	1.2
81.03411	3.8
82.04194	1.7
83.04987	6.0
84.07682	1.2
84.08149	14.0
85.02910	11.3
85.06547	1.3
85.08933	2.7
86.09712	1.3
87.04465	1.5
87.08096	0.9
91.76000	0.7
93.03414	3.3
95.04959	1.7
96.08152	1.5
97.02895	3.5
97.06540	20.3
97.07143	1.2
98.09707	12.5
98.97581	0.6
99.04459	1.4
99.08092	2.2
100.07611	0.6
100.92106	0.6
101.02371	1.0
102.09193	2.7
107.42995	0.6
108.08123	0.9
109.02888	2.1
109.06561	0.8
110.09686	4.9
111.04446	5.1
112.07603	1.1
115.07566	3.4
116.10740	43.7
125.05998	17.2
126.09174	1.4
127.03933	3.9
127.07578	0.6
127.09933	1.5
128.10724	11.1
129.09126	4.2
138.09167	1.9
142.12291	5.9
143.07050	2.5
156.10222	6.1
174.11273	2.6
183.06490	0.9
185.07019	0.7
188.12842	17.5
202.14360	0.8
220.15427	1.0
226.83121	0.6
307.90503	0.6
318.15439	1.5
332.17090	2.2
333.08240	0.6
350.18015	1.1
364.19705	1.3
376.19501	1.2
408.22321	31.1
409.22653	0.9
440.24969	100.0
441.25195	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	440.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	5.1
68.11036	1.9
69.07082	4.4
70.81577	4.5
70.81947	3.4
71.02006	2.0
79.05516	3.8
81.07059	4.7
91.05505	2.4
93.07041	6.2
95.08603	3.7
105.07024	6.3
107.08565	5.7
109.10182	7.9
110.18502	2.2
114.29420	2.1
120.08957	2.1
121.06503	3.3
121.10184	4.1
124.93218	2.1
128.06189	2.1
131.08580	2.2
139.07558	5.2
145.10052	2.8
149.09657	2.5
151.07544	10.6
162.13513	2.3
165.09167	2.3
167.07059	5.8
177.05466	7.5
179.07071	10.8
189.09137	5.2
191.07062	10.1
192.07817	24.6
193.08620	3.5
195.08046	5.7
202.47520	2.4
203.07085	14.3
205.05013	4.0
206.05363	4.0
209.81187	2.3
213.09117	28.4
213.73146	2.2
239.46156	2.0
241.08678	6.5
242.08890	2.4
282.80688	2.5
395.14905	100.0
440.21335	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	440.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
54.20375	0.5
55.01868	0.7
55.05267	0.6
55.05513	10.2
56.05024	2.0
57.03414	1.6
58.06591	1.4
59.04989	1.2
61.02914	1.1
67.05496	1.8
69.03433	6.2
69.07072	0.6
69.83073	3.1
70.06590	3.4
71.04978	1.9
72.04520	1.0
72.08155	1.9
73.02922	1.6
73.06563	4.1
79.05498	0.5
81.03423	4.0
81.07049	0.9
83.04982	15.7
84.08142	8.8
85.02908	14.2
85.06543	2.5
85.08926	14.5
87.04488	0.7
87.08111	2.6
93.03408	1.2
94.45798	0.5
95.04964	1.1
96.08123	1.4
97.02892	4.5
97.06538	6.1
98.09701	6.2
98.20745	1.2
98.97602	0.8
99.04453	1.8
99.08087	0.7
100.07624	7.1
100.11302	1.3
101.06013	3.7
102.09180	16.8
109.02879	3.1
110.09683	2.4
111.04460	2.4
112.07603	0.6
113.05934	0.8
115.07580	5.5
116.10736	12.0
120.08035	0.7
121.10137	0.6
123.04416	1.1
125.05991	4.7
126.09170	1.8
127.03939	3.7
127.07535	0.5
128.10722	28.4
129.05467	0.9
129.09132	1.6
137.05962	0.6
137.13167	0.5
137.44508	0.6
138.09198	1.6
140.04732	0.8
142.12265	2.1
143.07062	1.1
145.04977	1.0
147.04439	0.7
155.07037	0.8
156.10214	3.8
160.13303	4.0
174.11266	14.1
183.06601	2.0
188.12825	4.5
206.13951	1.5
216.12352	0.8
228.59100	0.5
241.77560	0.6
246.46811	0.6
276.14511	0.6
278.10236	1.2
300.14313	2.8
318.15479	13.2
332.16965	0.9
346.26871	0.6
350.18173	7.1
397.11261	2.0
408.22284	11.4
440.24960	100.0
441.10120	4.8
441.25241	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	440.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44486	3.2
64.89191	2.5
65.22284	3.1
70.13387	14.2
71.55563	2.7
81.07084	4.5
91.05500	3.4
91.68982	3.0
94.76376	3.1
95.08620	4.7
99.63638	3.5
104.42545	3.2
107.05000	2.8
126.10062	3.1
139.07564	7.0
149.02362	5.3
151.03835	4.7
151.07516	4.6
161.02368	3.3
161.06046	4.3
163.03883	3.1
167.03378	5.1
167.07056	6.1
177.05504	7.9
179.07025	4.0
184.86668	3.2
186.60037	2.9
189.09200	3.4
191.06995	14.0
192.07846	21.3
193.08475	4.7
193.93803	3.3
195.08101	7.3
198.06747	3.8
203.07047	15.1
213.09129	31.5
224.90126	3.4
241.08601	4.8
241.89784	3.2
262.03677	3.3
369.86865	3.6
395.14944	100.0
440.13535	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	439.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.05509	15.4
55.13310	2.1
56.96573	4.2
57.07066	5.9
65.03940	3.6
67.01861	2.7
67.05513	24.7
68.99780	4.3
69.03435	3.8
69.07075	22.3
71.04987	3.1
71.27879	5.6
79.05501	23.7
81.03416	3.1
81.07062	51.8
83.04974	4.8
83.08604	8.6
85.06556	4.3
91.05488	26.7
93.07047	48.6
94.07392	2.4
95.04964	4.8
95.08614	100.0
97.06544	7.7
97.10169	3.6
105.07046	49.6
107.04949	4.7
107.08604	64.4
109.06508	5.5
109.10165	38.8
110.03702	5.5
111.04436	3.8
111.08105	15.5
117.07030	8.3
119.04972	4.2
119.08590	61.7
121.06512	4.2
121.10144	47.6
123.04416	3.8
123.08043	4.3
123.11696	22.3
125.05991	17.9
125.09657	3.4
126.03150	2.7
129.06996	4.6
131.04967	3.2
131.08577	24.4
133.10141	37.9
133.11093	4.0
135.11700	33.4
137.06017	4.6
137.09650	4.2
137.13292	3.7
139.03902	6.9
139.11176	20.8
141.05466	3.0
143.08557	10.2
145.10133	34.4
147.04395	5.3
147.11711	27.1
149.02342	28.1
149.06010	3.3
149.13268	30.9
150.02719	12.4
151.03896	8.4
153.01831	16.9
153.05475	30.1
153.12691	2.4
155.08629	2.3
157.10153	13.1
159.11720	32.2
161.13281	28.1
163.03908	2.9
163.11353	4.4
163.14824	10.1
165.01805	5.9
165.12769	4.0
167.03435	30.3
167.14368	2.8
169.04974	3.0
169.10168	3.9
171.11710	9.7
173.05893	4.0
173.13293	18.9
175.14822	26.2
177.05504	7.6
177.12804	6.2
177.16423	18.5
179.03386	9.7
183.02827	4.1
183.11717	4.5
185.04488	4.3
185.13313	11.9
187.03867	2.7
187.14830	21.0
189.12778	2.6
189.16406	11.9
191.14377	4.0
191.18013	5.5
193.04974	39.2
193.15871	4.2
194.05309	24.4
195.17549	2.6
197.13319	3.7
199.14798	10.3
201.05591	5.5
201.16377	21.9
203.07056	8.0
203.17909	12.6
205.04991	4.3
205.15875	10.5
207.06549	4.9
207.17354	5.0
211.14821	2.7
213.16452	8.6
215.17924	27.1
217.15869	4.7
217.19524	6.5
218.77544	2.4
219.17513	13.8
225.16449	4.4
227.07089	2.7
227.17984	11.7
229.05072	2.5
229.19514	5.6
231.17419	5.1
233.18948	5.1
239.17981	3.7
241.19606	6.0
243.06453	4.1
243.17409	4.5
243.21074	2.9
245.19035	16.7
253.19577	4.6
255.21088	4.8
259.20700	3.7
267.21155	4.6
269.22577	3.9
271.20554	5.8
273.07593	5.8
273.22186	8.2
281.22501	2.4
283.24075	2.4
285.07635	6.2
285.22061	7.6
287.09222	4.5
299.05527	25.9
299.08673	3.7
299.23627	4.0
301.10794	2.7
305.24829	4.6
347.25879	7.4
363.30389	3.3
364.56772	2.5
381.31439	10.6
403.33176	4.4
421.34705	31.7
439.10236	7.6
439.29901	7.1
439.35773	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	439.3576
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03952	6.3
55.05507	21.6
57.03442	6.2
57.07070	12.4
67.05504	29.9
69.07072	52.9
69.71561	26.2
79.05497	17.4
81.07056	67.9
83.08627	14.3
89.06037	10.6
91.05463	19.5
93.07059	37.6
95.04942	5.0
95.08617	93.6
96.89959	3.7
97.06521	5.6
97.10171	7.7
98.21260	9.3
105.07030	44.8
106.66110	4.3
107.08601	64.5
109.06504	7.0
109.10159	57.7
111.08092	5.9
111.11729	15.3
115.02908	3.8
117.07042	5.2
119.08599	52.7
121.06540	8.7
121.10145	50.8
123.08069	9.8
123.11712	44.6
125.13254	7.6
129.07002	6.5
131.08586	25.2
133.08615	5.9
133.10135	49.0
135.08070	9.7
135.11690	30.1
137.09593	7.6
137.13234	12.0
141.87216	4.6
143.08554	10.8
144.85516	3.8
145.10132	18.1
147.11679	20.5
149.09596	4.8
149.13228	13.4
151.03966	4.2
151.14856	5.7
155.08571	6.2
156.09343	6.3
157.10149	24.5
159.11723	32.1
161.09659	11.2
161.13266	16.1
163.11220	6.3
163.14861	5.8
169.10159	14.2
170.10928	4.7
171.11670	27.3
173.13249	21.8
175.14827	16.4
177.16406	8.9
181.10091	7.9
182.10893	5.2
183.11732	15.0
185.13280	14.9
187.14825	16.9
189.16338	13.1
197.13246	38.9
199.14861	19.1
201.16423	15.9
203.17992	15.6
205.15880	4.6
205.19461	6.0
207.11807	4.5
209.13280	11.7
211.14905	15.5
213.16409	12.8
215.17967	8.4
217.15933	11.2
217.19580	8.6
223.14757	9.7
225.16382	12.5
227.14264	5.9
227.17992	5.6
229.19576	7.4
237.16483	6.9
239.15030	11.5
239.17879	8.8
240.15208	4.8
251.17923	7.2
257.19089	5.2
259.20789	5.8
265.19586	15.7
269.22662	6.6
271.20529	8.9
277.98907	4.4
279.21164	5.6
283.20673	14.5
285.22058	4.4
293.22418	5.9
297.22205	11.4
301.21515	5.1
309.25836	9.5
311.23624	7.4
315.23193	5.2
335.27371	40.3
353.27905	4.5
397.30719	5.3
403.33591	13.8
421.34610	55.3
439.35876	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	439.2846
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
53.03955	3.0
55.05517	16.5
67.01868	6.0
67.05505	31.7
69.07072	27.5
71.04996	19.8
72.14008	3.3
73.49158	2.5
77.98480	2.6
78.47570	2.7
79.05487	18.6
81.06577	4.3
81.07059	83.0
83.08604	10.0
85.57224	2.8
91.05471	20.6
92.03111	2.7
93.07040	44.1
95.08610	70.6
97.06516	4.7
97.10159	8.7
98.20723	6.9
99.08064	7.3
99.36866	2.9
105.07032	30.3
107.04951	38.9
107.08607	51.0
109.06531	8.6
109.10162	82.0
111.11681	3.3
117.07005	5.2
119.08609	29.4
121.06511	10.4
121.10141	32.8
123.11710	37.4
125.09676	4.5
127.11198	21.9
131.08585	11.6
133.10138	27.1
135.04420	100.0
135.08057	6.1
135.11687	43.0
137.05980	31.2
137.09567	3.2
137.13269	4.7
141.12746	3.6
143.08559	8.2
145.10126	11.4
147.08047	5.6
147.11699	17.6
149.05957	19.2
149.09578	4.5
149.13298	22.9
151.07541	6.3
151.11154	3.0
153.05452	7.4
153.12773	16.2
157.10170	3.4
159.04541	3.7
159.07982	4.2
159.11687	8.0
161.06003	17.1
161.09662	5.5
161.13257	7.1
163.03906	68.8
163.07585	20.2
163.14822	9.4
167.08617	4.2
167.14342	8.1
169.10127	3.8
173.05968	4.0
173.13269	5.1
175.07571	23.0
175.14830	7.2
177.05493	11.6
177.09114	24.0
177.16380	10.7
181.10017	2.9
183.11629	3.2
187.07454	3.9
189.05482	14.2
189.09088	16.6
189.16391	7.9
191.10649	7.4
191.17979	7.6
197.09686	5.0
199.14726	3.0
201.09085	9.0
201.16345	5.9
203.07115	20.9
203.10675	12.2
203.17967	7.6
205.12186	3.9
215.07071	10.3
215.10625	10.0
215.17978	3.7
217.08627	11.3
217.12231	4.2
217.19643	3.2
229.08566	8.0
229.12244	7.9
231.13759	4.7
241.12090	3.0
243.10220	11.6
243.13850	9.6
245.15428	19.5
257.11710	7.4
257.15436	4.5
259.80637	3.2
271.13284	19.5
271.16702	16.1
285.14764	6.8
297.14987	8.1
299.08325	3.8
299.16486	6.6
311.16434	6.9
325.18008	4.8
337.18002	6.0
339.19705	7.3
351.19540	4.9
353.21194	15.0
391.77795	3.1
411.28918	6.5
421.27328	27.1
439.28534	21.6
439.35541	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	439.2847
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
55.05497	17.3
57.07058	6.5
63.98156	3.6
64.32214	3.7
67.05215	4.4
67.05510	46.2
69.07082	44.1
70.97264	9.7
74.61659	4.0
79.05499	24.6
81.07065	90.8
82.73908	3.9
83.04958	6.3
83.08596	16.6
84.88173	4.9
89.06027	20.5
90.06349	4.2
91.05048	3.0
91.05493	28.1
93.07059	54.3
95.04922	5.6
95.08612	92.2
97.10173	5.7
105.07034	49.4
107.04967	37.3
107.08598	62.2
109.06519	10.3
109.10162	87.9
111.11701	6.8
117.07053	9.3
119.08599	53.5
121.06538	18.9
121.10165	50.8
123.04479	4.8
123.08089	4.5
123.11728	43.4
125.09566	6.7
126.61487	4.2
129.07062	6.5
131.08566	16.6
133.08588	10.6
133.10153	45.3
134.08949	5.1
135.04430	100.0
135.11693	46.1
137.06010	9.4
137.09525	5.0
137.13275	14.9
143.08601	10.0
145.10092	14.9
147.08109	4.2
147.11729	26.1
149.05962	20.2
149.09581	5.3
149.13271	36.0
151.03877	5.5
153.05426	10.7
157.10107	10.7
159.08067	4.8
159.11710	19.4
161.06018	10.2
161.09532	4.7
161.13295	20.1
163.03922	89.9
163.07501	15.5
163.14812	18.6
169.10156	5.6
170.19324	4.4
171.11722	5.4
173.13251	13.7
175.07542	15.0
175.14803	20.9
177.09100	15.7
177.16339	21.9
181.04968	39.3
185.13284	7.2
187.07512	5.8
187.14825	13.0
189.09109	10.7
189.16377	20.3
191.17928	17.7
195.06577	7.3
197.13242	4.3
199.14780	6.1
201.09113	12.2
201.16328	16.2
203.07028	14.7
203.10695	10.1
203.18001	38.9
209.09756	4.2
213.09149	4.9
213.16306	6.4
215.10696	8.2
215.18018	8.9
217.12138	5.7
217.15791	4.7
217.19516	6.8
219.06577	5.9
221.07986	7.8
225.16292	4.0
227.17830	5.3
229.08717	6.3
229.12152	5.2
231.21124	6.8
233.08102	6.5
233.15421	4.8
239.14830	5.0
240.15063	6.2
243.10176	8.7
245.22722	11.2
257.22568	11.6
261.11368	4.2
393.28049	5.6
403.33615	8.1
421.27429	15.3
421.34894	25.0
439.23093	8.0
439.28375	57.0
439.35562	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48241	2.9
51.02375	2.8
53.03939	6.3
55.05512	17.6
56.96551	6.9
57.07078	4.9
58.30863	2.8
60.59486	2.8
61.97189	3.3
65.03944	4.7
67.01871	4.7
67.05509	37.0
69.03428	4.2
69.07067	21.9
71.04989	19.0
71.57973	3.7
79.05494	31.3
81.07063	100.0
83.08601	10.2
85.06544	3.3
86.41700	3.6
91.05494	26.5
93.07059	51.2
95.04992	3.8
95.08617	92.4
97.06531	3.6
97.10181	7.7
98.97607	3.4
99.08094	5.4
105.07036	29.0
107.04363	3.7
107.04971	36.1
107.08601	58.0
109.06500	6.8
109.10155	80.7
111.11755	3.8
117.06971	5.2
119.08582	36.8
121.06507	12.0
121.10153	34.7
123.11715	37.2
125.09615	3.3
127.11184	18.4
128.06169	4.7
129.06976	4.0
131.00200	4.7
131.08562	8.3
133.06480	6.0
133.10143	32.0
135.04427	98.3
135.07993	5.1
135.11702	66.8
137.06007	32.2
137.09602	4.2
137.13269	6.6
141.12712	8.5
143.08601	9.2
145.06483	3.8
145.10159	15.8
147.11678	18.4
149.01244	7.3
149.05986	14.6
149.09628	4.3
149.13312	20.4
151.03883	8.5
153.05434	7.7
153.12762	17.3
157.10095	9.3
159.08037	6.0
159.11682	11.5
161.05983	24.8
161.09650	6.9
161.13231	10.7
163.03926	68.1
163.07529	18.3
163.14833	10.9
165.01880	3.7
165.09102	5.9
171.11639	4.0
173.13234	4.3
175.07564	21.8
175.14848	9.1
177.05562	14.7
177.09114	21.9
177.16405	16.5
187.07513	3.9
187.14810	3.2
189.05534	17.4
189.09152	22.5
189.16383	8.6
191.10648	8.9
191.17950	6.9
195.17480	4.4
201.09129	8.6
201.16415	5.1
203.07030	25.3
203.10704	29.3
203.17973	12.8
215.07027	7.9
215.10640	11.1
215.17775	4.0
217.08571	13.1
217.12257	9.1
217.19487	5.5
219.06581	4.0
229.08604	5.1
229.12286	6.8
231.10179	6.2
243.10155	11.2
243.13861	5.2
245.15390	11.5
257.11685	10.1
257.15616	4.7
271.13382	11.4
271.16876	15.7
277.13858	20.7
277.64041	4.2
283.13336	6.2
285.14896	3.3
297.14767	7.7
299.16461	8.9
306.30698	2.7
309.45786	3.0
311.16605	3.6
339.19519	7.8
353.21011	22.8
365.21219	6.6
421.27277	27.2
421.33539	4.1
439.28409	18.6
439.35544	9.0
457.56369	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	439.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02737	2.2
53.03956	5.9
55.01871	4.1
55.05515	20.8
56.96566	3.8
57.03431	1.8
57.07074	5.6
59.05006	10.9
65.03947	3.2
67.01868	4.3
67.05515	37.9
68.39220	1.7
68.99762	1.9
69.03439	9.5
69.07072	100.0
70.89709	1.8
71.05013	2.8
71.35126	2.3
79.05493	23.2
81.03420	3.3
81.07066	80.0
82.70718	2.1
83.04976	3.4
83.08614	10.6
85.02908	2.0
85.06521	3.2
91.05481	15.8
93.07059	42.2
95.04977	5.2
95.08615	70.5
97.06525	8.7
97.10173	7.5
98.14866	2.3
103.05496	3.3
105.07040	32.7
107.04974	31.3
107.08596	44.1
109.06510	8.3
109.10164	61.3
111.04423	4.1
111.08079	4.5
111.11732	17.6
113.09689	2.6
117.06970	4.6
119.08585	29.7
121.06534	17.3
121.10159	35.1
123.11716	25.2
125.09613	5.4
128.06230	2.6
129.07021	5.8
131.08572	8.5
133.06471	7.4
133.10146	17.9
135.04431	80.4
135.08046	3.0
135.11697	24.2
137.05986	16.1
137.09650	3.1
137.13268	7.1
139.03915	10.9
139.11183	20.3
142.07796	3.0
143.08588	5.6
145.06548	2.6
145.10146	7.8
147.04396	3.3
147.08080	4.6
147.11676	21.3
149.06013	12.8
149.09608	3.6
149.13280	22.6
151.03915	5.1
151.07657	2.1
153.05515	5.0
153.12759	2.8
155.08604	2.9
157.06465	2.6
157.10138	8.9
158.02660	2.3
159.08086	4.2
159.11732	7.4
161.06032	16.8
161.09589	4.3
161.13280	9.8
163.03920	53.7
163.07550	6.3
163.11063	2.4
163.14795	10.4
165.01869	13.4
167.14305	4.4
171.08083	3.1
173.06023	3.0
173.09637	5.2
173.13260	5.7
174.06755	2.4
175.07570	13.8
175.11253	5.5
175.14810	6.3
177.05453	16.2
177.09138	12.4
177.16397	8.6
179.03433	3.3
183.02942	5.2
187.07573	5.2
187.14870	4.3
188.08269	3.5
189.05499	12.4
189.09097	13.7
189.16408	4.5
191.10730	2.8
191.17999	4.4
201.09149	4.0
201.16418	2.8
203.07108	13.7
203.10686	35.9
203.17932	14.4
205.05005	7.9
207.06548	2.6
213.09203	3.2
215.07033	4.8
215.10693	3.5
215.14328	3.0
217.08595	2.2
217.12364	2.6
219.06531	3.1
221.19075	4.1
229.08638	5.1
231.10265	10.4
241.08743	3.2
243.10211	4.9
243.13799	3.5
245.11728	3.0
245.15393	4.5
257.15305	9.1
269.08145	16.2
271.13397	5.6
271.16971	7.2
283.13400	3.2
285.14911	15.2
297.07520	2.1
297.14816	4.0
299.16348	5.5
311.16495	2.7
315.08636	9.3
325.18051	4.1
331.15768	2.6
340.02246	2.5
349.16772	5.3
381.16962	2.5
393.20734	2.2
421.27490	10.1
439.14670	4.0
439.21201	14.8
439.28351	8.9
439.35559	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	439.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.05511	7.5
57.07082	3.5
59.04996	2.4
65.06583	1.8
67.05505	11.3
68.99786	2.1
69.03431	7.1
69.07065	16.3
70.06590	6.6
70.80164	3.8
71.05006	9.7
79.05471	3.7
80.22169	1.8
81.03421	9.8
81.07056	14.8
83.08614	4.3
85.02905	9.8
85.06545	2.6
85.10180	2.2
86.09672	2.2
87.00847	5.3
89.06015	9.0
91.05467	4.3
93.07035	7.7
95.05000	4.0
95.08611	81.3
97.02882	7.5
97.06554	1.9
97.10168	14.4
99.08106	11.1
105.01857	3.1
105.07044	5.6
107.08607	5.8
109.02906	6.1
109.10163	6.1
111.08072	2.7
111.11705	8.5
113.09651	100.0
119.08579	4.0
120.08083	1.7
121.06523	1.9
121.10159	2.8
124.07607	3.5
127.03920	8.2
131.08568	6.0
133.10144	3.3
135.08136	2.4
136.06197	22.8
136.07278	2.7
136.07474	2.2
137.04604	3.0
137.06635	4.7
137.13260	20.4
138.09120	2.5
145.10097	3.0
147.08101	3.6
149.09654	3.4
155.14265	10.9
164.07089	3.2
167.22325	1.8
173.13287	7.2
173.15385	75.8
177.05547	2.1
183.14995	2.8
186.63168	1.8
191.14557	3.3
191.16417	20.0
268.02927	1.8
278.10294	2.1
287.46909	1.9
319.70752	2.0
395.16589	5.1
439.15204	14.7
439.23941	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	439.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01865	1.3
55.05511	15.2
56.96550	2.6
57.07068	5.4
65.03932	4.3
67.01867	2.4
67.05166	1.7
67.05505	24.3
69.03432	5.7
69.07072	22.2
69.92568	6.1
71.05000	1.8
79.05489	13.0
81.07060	44.2
83.04966	2.9
83.08617	7.9
84.22011	1.1
85.06539	3.7
91.05486	82.9
92.05797	1.8
93.07053	26.2
95.04979	2.8
95.08608	68.0
97.06526	5.9
97.10189	5.9
98.21485	1.3
98.97585	14.2
102.01779	1.0
105.03386	3.5
105.07041	18.4
105.15028	1.1
107.04962	17.7
107.08597	27.2
109.06522	4.5
109.10161	36.2
111.04451	26.4
111.08116	6.3
111.11713	2.6
116.98617	5.4
117.07044	3.1
119.08585	17.8
121.06522	6.2
121.10146	15.7
123.08076	2.9
123.11721	11.8
125.06023	8.2
125.09615	3.8
127.11218	2.1
129.07008	2.9
131.08568	6.8
133.06476	2.5
133.10136	15.4
135.03380	2.4
135.04417	45.9
135.08057	8.0
135.11699	16.1
137.05984	9.0
137.09625	2.3
137.13268	5.4
139.07465	1.5
139.11180	2.0
142.07793	2.5
143.08562	2.6
145.10141	12.2
147.04378	1.3
147.08054	2.2
147.11705	9.5
149.02350	2.6
149.06027	7.5
149.09669	1.8
149.13266	9.7
151.03934	5.8
151.07487	1.6
151.11195	2.0
151.14827	2.9
153.05533	3.3
153.12761	1.9
155.08549	1.7
157.10146	4.8
159.08052	2.9
159.11703	4.6
161.06003	22.4
161.09540	1.6
161.13277	6.4
163.03920	36.9
163.07576	4.6
163.11162	6.7
163.14809	5.7
165.12704	1.3
167.03455	1.7
171.11647	1.7
173.05939	2.6
173.13310	2.6
175.07532	8.2
175.11154	1.7
175.14839	2.6
177.05481	10.3
177.09134	9.8
177.16379	4.5
181.04947	2.0
181.12213	9.2
181.90205	1.4
185.09653	2.0
185.13278	1.4
187.07565	3.0
187.14816	3.8
189.05507	5.3
189.09077	10.3
189.16443	8.2
191.10715	1.8
191.17943	2.1
201.09018	2.0
201.16454	2.0
203.07065	12.0
203.10661	19.3
203.17970	13.1
205.04987	6.9
207.06624	1.8
207.17464	2.7
211.07564	4.9
211.14919	2.1
213.09010	2.6
213.16348	1.9
215.07025	2.7
215.10777	2.9
215.14438	1.4
217.08598	6.1
217.12231	1.9
217.15866	2.0
227.07022	1.5
229.04845	1.3
229.08626	5.3
231.10182	8.3
231.13773	1.7
233.11838	1.5
241.08649	4.9
243.06537	80.8
244.07137	2.5
245.15427	1.4
255.13913	3.5
257.08072	17.9
257.10767	1.8
257.11765	1.6
258.08884	30.8
258.11368	2.2
259.09689	13.7
272.36630	1.4
273.14883	6.6
275.99438	2.8
281.03391	2.7
283.01450	1.6
283.09833	1.4
283.13251	3.4
289.07422	2.0
294.00473	5.0
301.10867	2.1
301.14355	43.8
302.00851	1.7
302.14700	1.7
303.01797	11.9
311.16330	3.9
321.02826	6.5
325.18054	2.9
337.14529	1.6
339.19513	2.9
344.04611	2.5
347.05450	2.5
351.19333	1.6
361.07343	1.3
365.21127	1.7
379.12170	3.4
397.13239	16.8
402.53180	1.3
411.12296	1.9
415.14178	3.4
420.14944	2.3
421.10660	2.1
421.20236	7.7
421.27377	8.8
421.34512	3.1
439.11859	19.4
439.21191	100.0
439.28311	17.6
439.35489	6.6
440.12195	1.6
440.21619	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	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54226	3.1
53.03941	7.6
55.01868	7.3
55.05500	10.4
57.03423	8.7
57.07062	9.0
59.65344	2.8
61.02892	4.4
61.17014	3.2
64.27464	3.2
67.05510	19.6
68.24551	3.5
68.99772	6.7
69.03435	33.5
69.07069	11.1
70.71976	9.1
71.01324	3.6
71.04988	6.6
79.05499	20.7
81.03422	45.9
81.07058	44.9
83.04967	13.3
83.08614	8.8
85.02905	30.3
85.06556	4.5
87.00828	15.3
91.05491	24.2
93.07047	28.3
95.04977	20.1
95.08626	23.6
97.02900	39.6
97.06507	10.6
98.92869	3.0
99.04447	11.1
105.01846	5.3
105.07036	33.4
107.04975	3.7
107.08599	43.1
109.02882	32.4
109.06525	31.3
109.10143	24.9
111.04431	9.3
111.08057	15.7
115.03957	2.9
115.05446	3.3
117.07055	8.8
119.08587	39.3
121.06509	13.1
121.10176	24.4
122.90292	3.5
123.04422	8.0
123.08101	21.2
123.11680	6.1
125.09606	4.1
127.03927	37.4
128.06204	3.8
129.07019	6.2
131.08574	48.9
133.06485	6.8
133.10121	29.5
135.08031	21.0
135.11668	14.1
136.06194	6.6
137.05948	12.4
137.09607	7.5
143.08563	11.1
144.09259	3.5
145.06470	5.0
145.10117	20.8
147.08029	11.9
147.11732	16.1
149.09587	10.4
149.13242	12.6
150.10378	5.3
151.07556	7.7
153.09126	5.4
157.10150	5.0
158.10997	3.9
159.08073	4.3
159.11691	8.8
161.05943	5.0
161.09593	6.1
161.13203	6.4
163.07553	5.4
163.11136	9.9
163.14798	8.0
165.09053	4.7
165.12785	4.3
169.10104	3.8
171.11662	5.1
173.09587	4.6
173.13277	53.7
175.11177	4.3
175.14833	15.7
185.13187	3.8
187.11147	4.6
189.12732	9.4
191.10643	5.2
191.12639	6.4
191.14316	100.0
199.11069	4.1
201.03989	4.8
207.13760	3.8
207.55183	3.3
209.15350	8.7
213.03981	9.4
213.12733	4.2
215.14174	3.7
217.12268	4.0
225.14912	3.8
231.05051	4.0
233.15392	8.1
259.13303	3.8
281.15344	3.7
299.16461	8.7
307.05963	4.4
317.17410	6.3
350.78397	3.5
421.18506	14.9
439.10205	7.2
439.14944	8.2
439.20618	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	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	18.4
55.01868	7.7
55.05515	25.6
55.84354	4.8
57.03440	6.5
57.07068	8.7
59.43431	2.9
61.67984	3.2
62.06092	2.9
65.03931	4.5
67.05518	32.1
67.27489	3.3
68.99789	4.0
69.03081	3.4
69.03432	41.4
69.07070	27.8
69.95394	15.5
70.06583	10.5
71.05007	17.0
74.60994	3.3
79.05497	21.2
81.03421	65.6
81.07058	45.3
83.04974	14.4
83.08627	16.0
85.02911	48.0
85.06544	24.4
87.00813	13.9
91.05492	25.2
93.07053	32.1
95.04956	19.6
95.08620	33.0
97.02905	36.0
97.06528	7.2
97.10179	17.1
99.04453	23.6
99.08112	4.6
99.62771	3.3
105.07034	30.4
107.04942	6.3
107.08602	67.7
109.02888	72.8
109.06553	19.2
109.10161	20.4
111.04434	7.9
111.08098	7.6
113.06020	8.8
117.07005	6.7
119.04922	4.9
119.08585	29.4
121.06502	9.7
121.10155	62.0
123.04409	6.5
123.08066	16.6
123.11703	9.8
125.09614	9.5
127.03929	100.0
127.07548	7.7
128.06201	4.0
129.07016	9.5
131.08569	24.4
133.06470	5.1
133.10141	27.5
135.08058	23.6
135.11700	13.8
137.05943	7.6
137.09616	4.4
137.43245	3.4
139.11182	5.2
139.12244	3.4
143.08565	7.8
145.05013	8.1
145.10141	19.6
147.07990	4.9
147.11693	7.6
149.05988	4.7
149.09593	13.2
149.13258	6.6
150.05550	3.6
151.07532	5.6
151.11148	7.9
155.14319	14.3
157.10097	7.5
158.10873	7.3
159.08049	6.1
159.11665	6.8
161.09619	7.7
161.13179	5.7
163.07509	4.2
163.11169	3.1
163.14868	21.4
166.98061	3.4
167.06999	3.4
171.11632	3.6
173.09581	4.1
173.13245	41.7
173.15410	8.2
175.14868	4.0
178.08669	4.0
181.12297	3.4
185.13144	4.3
187.06090	3.7
187.11426	3.3
189.09126	4.5
189.12724	4.3
191.14322	54.8
195.10173	4.7
201.12636	3.2
203.14403	4.5
209.15392	11.3
213.03992	18.4
215.14597	3.5
231.05023	6.8
231.13820	4.8
247.10840	3.8
289.05231	6.0
299.16440	7.7
307.05988	3.3
317.17484	10.2
325.07312	3.8
335.18451	4.0
341.95282	3.4
403.17480	4.6
421.18643	28.2
439.11606	15.9
439.20883	17.2
447.83594	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	439.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74910	1.0
56.96572	26.9
59.54361	1.0
69.03425	1.9
70.26138	3.2
84.96040	9.7
85.02898	1.6
97.02887	2.0
97.96812	1.6
98.97593	82.2
108.99628	1.4
110.97579	39.3
112.99129	10.2
116.97810	1.7
116.98634	21.7
124.99129	7.7
126.97042	1.2
127.00704	14.0
128.98622	20.0
131.00204	8.1
133.01729	1.2
134.99617	2.1
140.98618	5.0
143.00162	11.1
144.98141	2.1
145.01767	5.9
146.99699	7.0
149.01250	2.2
152.98581	2.9
155.00159	2.1
157.01759	1.9
158.99664	15.3
159.03331	1.6
161.01239	6.0
162.99051	1.4
167.00174	1.3
170.99664	7.7
173.01236	8.9
174.11305	1.3
175.02792	2.9
177.00705	7.6
182.99675	1.6
185.01291	6.9
189.00685	4.4
191.02348	2.5
201.00670	8.6
203.02261	8.2
206.99722	1.0
217.03874	3.3
219.01781	63.5
221.03311	2.1
235.04929	10.3
237.02835	57.6
242.03313	1.0
245.03320	1.9
249.02800	1.2
251.04361	1.8
253.05975	13.6
255.03877	3.0
259.04996	1.3
261.02872	2.6
263.04410	1.5
269.05594	1.4
273.02817	2.8
275.04123	1.3
277.05869	6.2
279.03830	4.1
287.04257	1.6
289.05966	2.4
291.03912	1.7
291.07361	1.6
293.05359	1.2
295.07059	7.1
305.05432	1.4
307.06708	1.2
309.08472	2.5
311.06543	1.7
313.05930	1.3
319.07047	4.9
321.08514	2.7
337.07895	1.2
339.09641	2.4
349.99969	1.1
379.09094	44.2
397.10202	100.0
398.10391	1.4
420.11877	2.5
439.11197	42.3
439.23712	7.0
440.20792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
55.01855	10.0
55.05502	11.7
57.03426	6.3
57.07068	6.2
59.04974	5.7
63.80589	3.2
64.46420	3.4
65.68176	3.2
67.05506	37.3
69.03432	27.8
69.07066	19.9
70.06594	6.5
71.04980	13.0
79.05486	13.2
81.03427	49.9
81.07064	36.6
83.04977	12.9
83.08619	12.4
85.02917	25.0
85.06548	18.4
86.21611	3.3
87.00829	9.3
91.05463	14.4
93.07063	20.9
95.04958	27.8
95.08618	27.8
97.02910	21.5
97.06538	18.6
97.19309	3.1
99.04463	18.4
99.08090	17.4
103.05447	5.7
104.75098	3.2
105.07030	24.1
107.04932	9.0
107.08598	24.3
109.02897	19.1
109.06527	25.9
109.10164	100.0
111.04426	8.6
115.07563	14.5
117.07037	7.1
119.04913	4.3
119.08578	14.9
120.08125	4.3
121.02891	5.9
121.06529	6.2
121.10147	20.1
123.04458	9.5
123.08041	10.7
123.11686	5.7
125.09632	9.8
127.03896	23.3
127.11197	5.4
129.06993	5.4
131.08568	18.9
133.06467	11.2
133.10135	37.9
135.08038	22.6
135.11649	7.1
136.06223	5.9
137.05962	12.3
137.09685	3.5
137.13214	5.1
138.05490	3.7
139.11198	7.0
143.08600	5.5
145.06429	5.8
145.10118	13.7
147.08040	8.8
147.11716	4.3
149.09627	10.9
149.70969	3.5
150.85243	4.0
151.03836	4.5
151.07509	14.1
151.11171	6.9
153.09099	6.6
155.14293	24.1
159.07999	11.4
161.05974	18.1
163.07561	9.0
163.11208	3.5
163.14857	7.0
165.09004	4.1
165.12804	7.0
171.11673	4.9
171.18323	3.4
173.09566	9.2
173.13257	22.8
173.15358	8.7
175.07515	4.6
177.09143	18.8
178.08598	9.9
179.10722	6.4
183.06430	3.8
187.11227	4.5
189.12779	9.0
191.06972	7.8
191.10664	8.2
191.14323	46.3
191.16208	7.4
199.11118	9.4
201.09039	19.3
203.14325	4.7
209.15340	9.1
213.10260	5.1
213.12878	5.4
217.12265	5.0
219.10199	33.5
221.11707	10.6
231.05009	5.3
231.11343	7.2
233.15376	6.4
239.99956	4.2
241.09816	5.6
241.12144	5.5
247.10750	9.8
259.10681	10.3
259.13376	12.5
265.11868	3.6
277.11755	11.7
277.14505	14.2
295.05795	4.5
299.16495	5.5
307.06000	11.1
307.12677	4.7
308.06863	3.4
313.09277	8.4
325.07037	14.2
335.18463	8.5
351.15546	7.6
365.10065	7.0
391.08072	7.2
393.16766	4.3
397.15854	6.0
403.08124	5.6
421.09137	9.5
421.18707	21.0
439.10339	13.8
439.17508	24.7
439.24292	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	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01873	3.3
55.05511	1.9
55.61254	1.0
58.39054	1.0
61.02932	1.2
66.13374	1.2
67.05531	1.1
68.99751	1.1
69.03442	6.8
69.07067	4.2
69.49574	7.9
71.04987	1.6
71.08636	45.9
72.77402	1.0
73.02885	1.6
79.05529	1.3
81.03432	6.6
81.07069	1.2
85.02409	1.7
85.02908	15.7
85.06564	1.1
87.00830	8.9
89.60532	1.1
91.03958	1.1
95.08581	1.1
97.02905	8.3
99.04458	2.7
99.08102	100.0
100.08443	1.3
102.36086	1.1
105.01871	6.2
109.02892	5.3
117.01836	1.7
127.03923	9.1
129.12767	10.9
145.04999	5.0
155.14339	2.0
159.02887	2.5
173.15390	55.4
178.34471	1.1
231.04991	1.2
313.11957	1.1
438.34268	1.6
447.21494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
53.04159	0.7
55.01872	0.7
55.05516	8.1
56.05026	1.2
56.96564	1.6
57.03440	4.0
59.05007	5.3
61.02930	1.1
61.72760	0.5
67.05500	0.9
67.18299	0.6
69.03438	12.0
69.30383	0.6
70.06591	2.2
71.05013	3.5
71.16426	0.7
71.58347	0.7
72.04521	0.8
72.08157	1.5
73.02926	3.9
74.06058	0.6
79.05537	1.1
81.03419	7.4
81.05807	0.8
81.07051	0.9
82.06594	2.4
83.04991	5.3
83.54659	0.6
84.04509	1.1
84.08150	8.9
85.02909	35.5
85.06538	5.9
85.08909	1.0
86.09693	3.6
87.04479	1.8
88.04007	1.6
89.06055	0.8
91.05495	0.7
93.63139	0.6
95.04983	1.4
95.08622	0.7
96.08144	2.8
96.37600	0.6
97.02893	6.6
97.06532	0.7
98.09706	11.0
98.97598	1.5
99.04462	7.4
100.11256	1.1
101.06023	16.4
102.09201	8.7
105.03385	0.7
107.05009	0.7
108.08125	2.4
109.02882	3.2
109.10151	0.7
110.07173	0.7
112.07637	0.9
113.06023	2.9
116.07100	1.7
116.10748	4.5
119.07056	2.3
119.08520	1.0
121.06509	1.1
125.07958	0.7
125.09679	0.6
126.01110	1.2
126.09165	18.7
127.03928	7.0
131.04889	0.7
131.07063	4.2
137.06012	1.3
142.47720	0.6
143.07065	0.9
144.10204	22.9
145.04970	2.1
149.06058	0.7
149.76199	0.7
155.10712	0.9
158.11790	13.5
166.59818	0.6
167.07066	2.5
168.54819	0.6
176.12846	4.3
176.62923	0.6
177.05489	1.6
181.08580	6.0
188.03917	0.9
191.07086	0.7
192.07866	2.7
223.09683	2.5
227.09224	0.9
228.12411	1.8
235.99777	0.7
241.10782	5.2
245.10207	1.0
246.13377	1.4
260.12354	0.7
265.31116	0.7
271.04807	0.7
276.12512	1.7
288.14471	5.6
320.17010	6.6
338.18082	3.0
353.04373	0.6
364.19614	1.6
406.20795	3.7
438.23422	100.0
439.23907	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	438.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13147	0.6
53.03937	1.2
55.01869	1.3
55.05508	1.1
57.03430	1.4
57.07080	19.0
57.86621	0.5
59.05003	3.4
69.03433	7.3
69.07069	3.7
70.06604	2.9
71.04995	1.2
71.56180	0.7
73.02920	0.7
79.05486	0.8
81.03432	4.0
81.07078	2.9
83.08637	0.6
85.02916	11.7
85.06572	0.7
86.62758	0.5
87.00835	4.6
93.07078	0.7
95.08627	2.7
97.02895	5.4
97.10178	1.6
99.04458	2.1
105.01884	4.7
105.07029	1.0
109.02899	4.1
111.11741	2.3
117.01885	0.6
126.88937	0.5
127.03934	7.1
129.01920	0.6
131.08508	0.8
131.31671	0.6
133.08382	0.5
137.13252	11.5
138.55312	0.5
145.04948	2.7
155.14322	100.0
156.14665	2.2
159.02896	2.5
173.15392	29.8
191.14445	0.7
213.01961	0.6
231.05040	1.4
438.19717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.9
57.03438	2.8
67.05508	3.4
69.03433	8.8
69.07079	6.1
69.38353	11.8
69.38762	6.4
71.08278	3.3
71.08640	45.4
72.12595	2.1
73.02941	2.3
80.05766	3.0
81.03384	5.7
81.07050	7.2
85.02917	17.0
87.00817	5.3
91.05467	4.4
93.07034	6.9
95.04971	2.3
95.08604	4.9
95.44298	2.6
96.08891	2.2
97.02879	7.0
99.08099	100.0
100.96112	2.6
105.01875	4.8
105.07065	5.4
107.08600	4.3
109.02887	6.2
109.10146	3.4
119.04951	2.8
119.08601	5.4
127.03966	10.7
129.12776	9.8
133.10139	2.7
145.04985	3.9
147.11617	4.2
155.14243	4.5
157.10117	2.5
159.02881	3.6
160.12062	2.5
173.15387	60.0
190.45650	2.2
239.11708	2.5
240.12563	4.4
268.12158	7.4
296.11557	6.5
313.12082	3.8
314.12576	14.0
330.23007	2.2
333.01324	2.6
353.27753	2.4
438.20474	12.6
438.34445	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	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06091	0.6
53.03938	1.3
55.01867	1.3
55.05497	1.3
57.03428	1.2
57.07078	20.9
59.05001	3.9
61.02904	1.5
68.99788	0.9
69.03431	6.0
69.07076	4.3
69.50653	4.5
70.06583	2.7
71.04981	0.8
73.02913	0.8
77.23093	0.6
79.05460	0.6
79.51981	0.6
81.03425	4.4
81.07069	3.8
81.07465	0.7
83.08617	1.0
85.02909	14.3
85.06532	0.8
87.00829	6.2
93.07019	1.2
95.08604	2.6
97.02905	5.2
97.10155	1.4
99.04440	1.7
99.08090	0.8
105.01876	4.7
108.92568	0.7
109.02888	4.1
111.11716	1.4
117.01920	0.8
127.03926	6.9
129.01852	0.7
133.10098	1.3
137.13257	13.0
145.05002	2.7
155.14317	100.0
156.14661	2.1
159.02931	1.7
173.15381	32.5
176.44208	0.7
212.16504	0.8
231.05025	1.0
237.76920	0.6
270.16986	1.3
315.13342	1.1
438.20810	1.5
438.29187	1.3
439.23077	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	437.1962
Annotation	Ugonin L
Peak:m/z	Relative Intensity
53.00280	0.8
55.01843	0.6
55.05486	0.4
56.87632	0.2
63.78486	0.2
67.05486	0.6
69.07035	0.7
69.87699	0.4
69.88110	0.8
79.01861	11.0
79.05471	0.5
81.07019	0.7
83.04955	0.2
89.03896	0.2
91.05448	0.7
93.07012	0.8
95.01247	0.2
95.08593	1.2
105.03383	0.2
105.07008	0.7
107.08561	0.6
107.41118	0.2
109.10121	0.9
115.05415	0.4
117.03342	0.7
119.08560	0.8
121.10147	0.5
129.06950	0.2
130.07806	0.2
131.04893	0.4
131.08499	0.3
133.10126	0.5
134.03642	3.4
135.11642	0.4
136.01540	0.4
137.05960	0.5
141.06964	0.6
143.75705	0.2
145.06487	0.3
145.10060	0.6
147.11703	0.4
149.02327	0.3
149.09654	0.3
151.03853	0.3
153.01779	0.3
155.04915	0.4
157.02846	1.0
157.06462	0.5
159.04401	0.3
159.08118	0.2
159.11667	0.3
161.05949	0.4
161.13289	0.2
163.03848	0.3
165.01839	0.6
167.03401	0.3
168.05670	0.4
169.06464	0.6
169.10248	0.3
171.04416	0.4
172.05222	0.3
173.13306	0.3
175.03957	1.3
175.07544	0.2
181.06528	0.3
183.02931	0.3
183.04388	1.0
185.05994	0.6
186.06752	0.5
187.07578	0.5
191.03365	0.3
192.04114	0.4
196.05074	0.4
197.05988	1.4
199.03960	1.9
200.04602	0.2
203.07062	0.3
211.03903	0.7
213.05487	0.6
214.06223	0.9
215.07089	1.5
225.05478	1.5
228.04198	0.3
229.08517	0.3
239.03336	0.4
241.05008	1.4
242.05780	2.5
242.08275	0.3
243.06448	1.4
252.04047	0.4
253.04967	3.4
254.05759	0.4
265.04825	0.3
269.04489	0.3
269.08279	0.3
270.05243	5.4
271.05997	1.6
271.08627	0.3
280.03592	0.4
281.04465	2.4
283.05960	0.9
285.07663	0.8
287.09143	0.9
289.07086	3.3
297.04431	0.3
297.07346	1.1
298.04730	15.5
299.05206	0.6
310.04721	0.5
312.06348	0.3
313.07068	100.0
314.07513	3.2
315.08572	2.5
325.07089	0.9
327.08679	0.4
339.08780	0.3
369.13586	0.4
437.19635	47.3
437.33859	0.8
438.20050	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	437.1961
Annotation	Ugonin L
Peak:m/z	Relative Intensity
62.98244	0.2
69.07072	0.7
70.22117	0.7
79.05514	0.3
81.07077	0.4
91.05495	0.3
93.07052	0.3
95.08610	0.4
105.07032	0.3
106.04183	0.4
107.08632	0.2
119.08560	0.4
120.83308	0.2
121.06422	0.2
133.26471	0.2
134.03641	1.7
145.37080	0.2
151.03920	0.2
157.10135	0.2
159.11784	0.2
163.03915	0.2
165.01866	1.3
183.02994	0.3
185.06151	0.2
186.06741	0.2
203.06989	0.3
213.05525	0.5
214.06180	0.5
225.05435	0.2
241.04927	3.1
242.05742	1.1
243.03114	0.2
253.05116	0.4
269.04520	0.7
270.05243	4.2
285.07471	0.3
297.03998	0.6
298.04733	35.2
299.05121	0.7
312.06088	0.2
313.07062	100.0
314.07431	2.3
327.08521	1.2
369.13580	0.3
381.13034	0.2
437.19885	6.1
449.91757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02328	6.1
53.03940	12.7
55.01869	7.4
55.05496	13.9
57.03419	10.7
59.05009	6.5
61.02921	12.5
67.05498	20.2
69.03431	31.7
69.07067	55.6
69.27527	60.4
71.04985	11.3
79.05495	11.5
81.03407	27.5
81.07074	37.2
83.04965	11.4
83.08627	6.8
85.02418	9.8
85.02908	100.0
85.06538	14.5
87.00838	41.1
91.05476	27.9
93.07048	90.0
95.08620	88.2
97.02897	45.0
97.06540	18.0
98.97552	5.6
99.04442	10.5
105.01863	70.8
105.07037	15.0
107.08604	84.4
109.02892	17.1
109.06493	9.6
109.10173	43.0
112.29863	6.4
119.08574	17.5
121.10116	7.1
123.11674	6.9
127.03929	76.8
135.11699	81.3
136.12099	8.5
145.05017	40.5
153.12737	45.4
159.02928	17.6
163.11156	6.6
167.07018	6.6
171.13811	16.1
201.16481	6.2
231.04958	14.0
235.02345	6.5
315.98767	6.8
436.27502	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
53.08159	3.0
55.01870	7.1
57.03425	14.4
57.82616	3.0
58.64054	3.4
59.78044	2.9
61.02920	3.5
67.05530	3.7
68.99809	3.1
69.03431	21.3
71.05009	7.1
71.14912	7.1
73.02928	20.1
73.73994	3.5
79.05499	5.9
81.03438	18.3
81.07066	50.4
83.08610	3.8
85.02905	66.1
85.06560	7.7
87.00830	34.2
93.07050	12.1
94.03828	3.0
95.08607	12.7
97.02901	43.4
99.04459	12.0
105.01880	57.6
107.08607	10.8
109.02888	21.0
127.03928	50.5
135.11697	17.3
137.02312	4.6
137.13235	23.7
145.04973	28.3
147.29411	3.1
153.01845	4.9
153.05438	3.4
159.02890	7.6
166.02141	3.8
173.04471	3.8
231.05022	15.3
249.06261	7.0
258.04626	3.8
272.06177	3.8
274.06821	5.2
286.06924	4.9
303.05090	32.5
304.05344	100.0
308.61206	3.2
436.11526	4.4
437.14096	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	437.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18404	0.8
55.01878	1.0
55.05511	1.9
60.35423	0.8
67.05514	5.2
67.89831	0.8
69.03436	1.3
69.07078	4.1
71.05013	1.5
71.07057	1.0
71.07395	1.3
79.05495	2.8
81.07063	8.3
91.05483	7.7
93.07068	4.7
95.04981	1.5
95.08621	8.2
100.73347	0.8
105.07035	5.8
107.04953	4.3
107.08610	6.4
109.06511	1.5
109.10162	8.7
115.05473	1.5
117.07046	3.9
119.08601	5.7
120.44490	0.8
121.06561	1.9
121.10207	4.2
121.90516	1.0
123.11718	2.1
129.07004	1.3
131.08600	2.3
133.10138	4.4
135.04408	7.2
135.11699	2.8
137.05977	2.3
137.09636	1.1
143.08640	1.5
145.10146	4.3
147.11713	2.9
149.06041	1.1
149.13284	1.9
151.03923	7.8
157.10165	2.0
159.11742	3.4
161.05966	1.6
161.13324	1.3
163.03908	6.1
163.07460	1.0
171.11678	1.1
173.13289	1.7
174.06752	1.2
175.07544	1.1
177.05580	1.4
177.09142	2.2
179.07043	2.3
189.09193	2.0
191.07034	1.8
192.07817	1.4
199.14861	1.1
201.16440	1.5
203.07072	3.7
203.10771	0.9
205.05031	1.5
205.12206	1.1
207.06499	1.0
212.42146	0.9
213.05519	2.0
213.09160	1.1
215.10608	0.9
219.06532	1.5
225.05222	1.3
225.23904	1.0
231.10326	1.2
243.09990	1.0
245.08197	3.5
259.09818	1.3
263.09201	2.5
299.05731	1.4
361.10532	2.1
375.12088	1.1
381.13742	1.9
393.13385	1.3
416.12210	1.4
417.12814	1.0
419.11066	5.9
419.25803	1.7
425.12750	2.9
425.62466	1.7
437.12177	100.0
437.19321	14.7
437.26688	5.2
438.12454	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.05499	1.9
58.86563	1.2
59.04993	2.2
67.05505	1.6
69.03416	2.0
69.07082	2.6
69.37740	10.0
69.38072	1.9
71.04996	13.1
73.06553	2.5
79.05482	4.0
81.03421	2.1
81.07055	18.8
85.02894	4.8
87.00821	3.1
91.05467	2.7
93.07061	13.0
95.08589	4.0
97.02879	3.0
105.01846	3.3
105.07000	1.3
107.08591	10.1
109.02885	1.4
109.10170	2.4
119.08556	1.5
127.03914	4.4
135.11707	22.1
135.70387	1.3
153.12752	100.0
154.12981	1.6
167.07065	1.8
181.04993	1.3
182.05220	2.3
234.08298	1.4
243.20129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84522	1.3
51.18720	1.4
55.05515	21.7
69.03433	8.3
71.05009	8.2
71.16323	1.8
71.16672	3.0
77.11904	1.4
81.03411	4.6
83.08625	100.0
85.02916	25.3
85.06540	2.5
87.00844	15.4
93.07040	4.7
95.08611	1.9
97.02890	11.3
99.04478	2.0
105.01880	42.2
107.04989	1.5
107.08594	2.5
109.02879	4.5
110.56090	1.6
120.97678	1.4
127.03942	19.0
135.11703	6.6
145.04973	11.9
152.85077	1.2
171.13864	1.8
171.40152	1.3
231.05064	9.4
249.06108	16.9
284.06400	4.1
285.06573	3.5
286.06860	4.7
289.11652	1.6
314.07272	3.3
316.08072	3.0
363.09216	1.5
370.09030	3.3
400.09918	1.7
410.66937	1.5
425.43881	1.6
436.11707	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69124	8.5
53.03942	9.5
55.01887	9.0
55.05516	14.4
57.07075	18.7
67.05518	14.0
69.03426	37.5
69.07061	43.4
69.24368	59.2
69.24794	29.4
79.05505	13.4
81.03416	32.2
81.07056	21.2
85.02904	100.0
85.06548	37.7
87.00831	49.4
91.05489	17.5
93.07066	67.4
95.08622	27.8
97.02895	51.2
97.06526	12.4
99.04451	19.2
105.01864	81.0
105.07095	13.1
107.08598	48.6
109.02901	23.8
109.10182	15.9
119.08578	13.5
127.03945	76.4
134.60776	9.0
135.11719	65.1
145.04958	35.0
153.12756	55.2
159.02945	13.1
231.05017	14.5
235.78455	9.7
249.06105	16.4
274.99841	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91299	2.8
53.03939	5.2
55.01862	3.5
55.05502	5.8
55.86312	2.2
57.07071	4.6
61.02925	2.8
62.35963	2.3
64.28353	2.2
67.05503	11.8
69.03442	12.5
69.07063	10.0
70.42926	8.2
71.04984	3.0
77.20571	3.0
79.05493	10.8
79.26292	2.6
81.03416	14.7
81.07067	44.9
85.02916	27.0
87.00824	14.5
91.05488	20.3
93.07048	100.0
95.04989	4.6
95.08614	28.5
97.02906	19.6
99.04457	6.7
105.01876	13.1
105.07029	7.7
107.08596	54.7
109.02884	14.2
109.10187	12.4
119.08556	4.2
121.10141	2.8
121.56945	2.2
122.59424	2.3
127.03911	19.2
129.06958	2.4
132.69536	2.7
133.10129	3.4
135.11702	81.2
137.13251	27.9
145.04967	13.4
147.11690	3.5
151.10988	3.3
153.12669	3.2
157.10191	4.4
159.02869	2.8
188.92314	2.6
191.98322	2.4
221.74809	2.4
227.91043	3.0
231.05063	3.7
233.20174	2.5
271.56839	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	436.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56055	0.5
53.03939	0.9
55.01851	0.6
55.05510	1.2
57.03434	1.3
61.15628	0.4
62.81240	0.4
69.03439	2.4
70.06595	1.0
71.05003	0.9
71.58069	0.6
72.08158	1.2
73.02914	0.8
79.05510	2.9
80.05017	1.2
80.98262	0.5
81.03416	1.6
81.05814	3.3
81.07072	2.7
82.06573	0.9
83.04987	0.5
84.08163	1.0
85.02900	3.6
86.09718	0.7
87.04495	0.8
94.06561	0.8
96.08139	13.3
97.02895	2.1
97.06522	0.4
98.09722	0.5
99.04465	1.0
106.06570	2.3
109.02887	0.9
109.06522	0.4
112.03309	0.4
112.07603	0.7
122.06069	0.5
123.04462	0.5
123.05564	0.5
124.07604	100.0
125.06000	1.1
125.07932	1.5
125.09624	0.4
126.09165	1.9
127.03914	1.8
130.08617	1.1
137.06009	0.7
138.09155	0.6
141.06628	0.8
142.06924	0.4
142.08644	1.5
144.10187	0.7
145.04950	1.0
158.52737	0.4
166.08669	0.6
167.07086	0.6
219.01746	0.6
238.10706	0.5
256.11893	1.6
286.12933	0.7
304.13889	0.7
379.64761	0.4
436.18292	1.3
436.22549	0.5
463.87268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.2
55.01864	11.2
55.05514	2.4
56.96564	4.7
57.03437	7.8
59.04997	2.7
60.04528	4.5
61.02940	6.0
65.03942	3.6
68.99774	4.7
69.03435	39.3
71.04996	8.0
71.58252	3.8
72.08159	8.7
73.02920	12.7
79.05491	3.5
81.03424	34.9
82.06571	6.4
83.04987	5.4
84.08138	2.9
84.96136	2.4
85.02909	100.0
87.00838	32.8
87.04458	3.0
91.03909	2.5
91.05479	3.6
96.08138	5.0
97.02905	39.4
97.49321	2.4
98.09718	3.2
98.97583	15.7
99.04475	25.0
99.09253	7.9
101.02352	3.0
105.01887	23.6
105.07072	2.5
105.25259	2.4
107.04971	11.7
108.04478	7.2
109.02884	35.9
110.97620	3.9
111.04465	16.7
112.07607	4.8
116.98628	5.7
117.01860	5.5
119.04977	2.7
121.06497	3.4
123.04453	2.8
124.07600	20.9
126.05512	5.6
126.09180	7.6
127.03928	65.6
128.04240	2.7
128.98615	2.6
129.01869	5.0
130.08675	4.2
135.04431	4.7
137.06001	6.3
138.05545	3.9
139.03912	36.5
139.04916	4.3
141.10226	24.2
142.08618	5.0
144.10269	5.2
145.04980	28.2
147.02913	5.2
147.04456	3.4
152.07080	6.4
153.05515	3.4
158.99684	4.6
159.02907	17.7
163.03958	14.8
168.06599	2.8
169.05019	2.9
171.06548	58.4
177.05411	3.5
181.05045	6.7
184.09683	6.7
189.03992	5.5
195.06511	26.7
213.07565	20.5
219.01718	4.2
219.06964	3.5
219.57095	2.7
220.09674	5.3
223.92505	3.0
231.05067	9.3
237.02779	5.0
237.07599	14.5
248.07504	3.3
256.11688	2.1
261.07657	10.4
261.14468	15.1
274.12967	4.3
279.08771	16.0
288.14719	3.0
418.16870	2.8
436.21613	8.2
437.13513	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	436.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.8
54.28088	1.9
55.01886	10.1
55.05505	4.2
56.96557	4.9
57.03446	11.3
61.02921	6.7
65.03950	3.5
66.12297	1.8
68.99791	5.8
69.03436	36.4
69.70078	11.5
69.70467	3.8
70.06592	2.7
71.04990	6.2
72.08156	10.4
73.02915	10.3
79.05517	3.5
81.03425	36.4
81.07070	2.7
82.06585	8.8
83.05009	3.6
84.08157	3.5
85.02913	100.0
85.06579	1.9
87.00838	29.9
87.04465	3.7
93.07102	2.2
95.04961	2.6
96.08133	3.0
97.02902	37.5
98.09718	2.1
98.97575	10.7
99.04463	19.6
99.09228	6.9
103.03953	3.9
105.01872	22.3
105.07039	3.1
107.05000	9.6
108.04485	8.0
109.02209	3.7
109.02889	35.3
110.97616	2.1
111.04444	16.6
112.07610	2.3
115.03975	3.3
116.98608	5.2
117.01863	4.1
121.06544	2.4
123.04491	3.0
124.07606	16.0
125.06003	3.1
125.90394	2.1
126.05556	3.8
126.09193	8.4
127.03932	58.7
128.07097	4.1
129.01854	5.1
130.08615	3.2
135.04430	4.5
137.05910	2.5
139.03920	39.2
141.10236	25.4
142.08672	3.6
144.10187	4.3
145.04968	30.1
146.99599	2.0
147.02885	3.1
147.04408	3.6
152.07051	4.0
153.05569	3.0
158.11745	2.4
159.02927	17.0
163.03940	12.4
167.07048	3.1
171.06538	54.5
177.05392	2.4
181.04977	6.6
184.09753	8.7
189.03928	4.3
193.08673	2.4
195.06531	21.9
197.20531	1.8
201.05461	2.8
205.05351	2.2
207.06575	3.4
213.07564	21.4
219.01772	4.5
220.09898	2.2
222.05298	2.2
230.06693	2.3
231.04993	12.0
237.07610	15.1
248.07707	3.2
256.11801	5.3
261.07532	11.2
261.14548	11.2
274.12872	5.4
279.08551	13.6
333.32327	2.0
345.16156	2.4
357.26495	2.1
400.16159	2.3
436.21661	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	435.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.05495	0.2
55.92735	0.2
56.96540	0.3
57.03444	0.4
58.06594	0.3
70.72253	0.7
71.04967	0.3
72.08149	1.1
79.04923	0.2
82.77343	0.2
84.08154	0.4
85.06521	0.6
95.04972	0.9
98.09708	3.4
98.97584	0.5
102.09194	1.8
109.06513	0.3
111.08092	0.4
113.06029	1.4
128.07018	0.3
140.10722	0.5
146.08128	0.6
156.13875	0.4
158.11795	7.6
174.11264	1.0
182.11723	0.4
200.12808	2.8
218.13889	100.0
219.14099	1.3
223.36580	0.3
243.55760	0.3
286.75247	0.3
310.93509	0.3
375.15500	0.3
435.13022	0.3
435.27585	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1842
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
55.05515	0.7
57.03418	0.8
57.74133	0.5
67.05507	0.8
69.03427	1.2
69.07055	0.8
70.06596	5.8
70.95093	1.1
71.04990	1.1
71.43924	0.6
72.08160	0.9
79.05481	1.1
81.03415	0.7
81.07040	1.1
84.08154	0.6
85.02888	1.7
86.09698	1.5
86.80530	0.5
91.05471	1.3
93.07044	0.8
93.52896	0.6
94.86026	0.5
97.02884	1.1
98.97569	0.9
105.07043	0.7
107.08566	0.9
109.10129	0.7
111.04474	0.5
112.08710	0.8
114.84559	0.5
120.08089	0.6
121.10113	0.8
127.03902	1.2
135.11652	0.6
157.10884	0.6
167.06961	0.6
171.13612	0.5
181.04984	0.7
183.29163	0.6
255.32976	0.5
257.80051	0.6
273.07571	0.7
273.11215	0.8
303.14212	2.7
364.35651	0.6
417.16830	0.7
435.18396	100.0
435.26740	3.2
436.18835	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	435.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01333	0.8
53.03923	0.7
55.01847	1.3
55.05478	0.7
57.07035	2.3
64.67480	0.6
65.03921	0.7
67.05504	6.7
69.03420	0.8
69.07046	1.2
69.27972	5.7
79.01817	0.8
79.05458	1.8
81.07019	2.9
83.08604	0.8
85.06543	4.7
91.05499	4.1
93.07056	5.8
95.04959	1.3
95.08582	1.4
98.20728	1.4
102.05505	0.9
105.06389	0.7
105.07030	8.6
107.08551	1.6
109.06480	1.9
109.10138	1.2
109.70415	0.6
115.05496	0.9
117.07023	5.9
119.08588	5.6
121.06461	2.0
121.10119	0.8
128.06203	0.7
129.06964	2.3
130.07800	1.2
131.08586	12.0
133.10068	2.0
135.11700	1.0
137.09512	0.8
142.07744	1.2
143.08504	1.1
144.09375	5.2
145.10101	1.2
147.07999	1.0
149.02309	0.8
155.08548	0.9
157.10126	3.1
159.11703	65.8
160.12051	0.9
161.05989	1.1
171.11615	0.7
173.05905	1.1
173.09604	1.1
175.03922	1.7
189.05441	1.1
195.08054	2.4
195.11673	0.7
198.06680	0.8
203.07051	1.6
205.05019	1.8
211.07547	8.0
213.09152	5.1
214.06201	1.5
217.04919	0.9
229.04973	1.6
229.08621	12.3
239.07091	4.0
241.08633	9.4
242.05731	1.8
243.06578	3.8
244.07376	5.3
257.08130	24.1
259.09686	100.0
260.10037	1.5
268.29611	0.6
297.07507	4.8
311.09070	0.7
315.25137	0.6
366.90915	0.6
417.20670	5.8
435.21750	30.2
435.27768	1.4
435.33472	1.4
436.22186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45440	6.7
98.21433	2.1
227.05316	2.8
263.01996	0.9
271.04437	4.5
332.50183	1.0
349.12549	6.3
373.12698	1.1
391.13657	47.9
392.14120	1.6
427.71222	1.1
435.12671	100.0
436.13129	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	435.1418
Annotation	Haplopappin
Peak:m/z	Relative Intensity
61.82797	0.8
67.05515	1.5
69.07045	1.1
79.05509	1.5
81.07058	2.6
91.05491	2.5
92.80714	0.7
93.07063	1.9
95.08616	1.3
101.21261	0.9
105.07046	2.5
107.08646	1.0
109.10203	1.2
119.08555	1.6
121.41888	1.1
133.10199	0.9
145.10100	1.5
147.11751	0.9
159.11702	1.6
161.13245	1.3
171.11716	0.8
197.64941	0.9
256.66425	0.8
321.19644	0.9
323.05283	0.9
417.13043	8.2
435.14215	100.0
436.14536	3.0
453.15225	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	435.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03944	0.6
55.01879	0.5
55.05507	1.1
56.96558	0.5
57.03404	0.3
62.97218	0.3
65.03914	0.4
67.05504	2.7
69.03428	0.7
69.07072	2.6
79.01860	5.6
79.05495	2.6
81.03397	0.4
81.07066	4.6
83.04978	0.7
83.08604	0.3
87.66968	0.3
91.05479	4.4
93.07051	8.5
95.04971	0.7
95.08621	2.7
97.06526	0.5
105.03408	0.5
105.07036	4.0
107.04939	0.4
107.08598	6.3
109.06535	1.1
109.10164	4.9
111.08091	0.4
115.05496	0.5
117.03384	0.3
117.07025	1.1
119.08589	3.0
121.06497	1.0
121.10127	1.6
123.08111	0.5
123.11711	0.9
128.06195	0.4
129.06999	0.6
131.04918	0.4
131.08572	1.2
133.10132	1.5
134.03642	2.7
134.34396	0.3
135.04428	0.8
135.11694	4.4
137.02452	0.5
137.06010	0.8
137.09613	0.5
139.07672	0.4
141.06984	0.5
143.08553	1.3
145.06538	0.3
145.10150	1.6
147.04306	0.5
147.08099	0.5
147.11696	1.5
149.02390	0.5
149.05940	0.4
149.09622	1.3
151.03922	1.5
151.05159	0.3
154.07675	0.3
155.08569	0.8
156.09325	0.4
157.02820	1.0
157.10124	1.7
159.04439	0.4
159.08026	0.4
159.11691	1.5
161.05975	0.4
161.09669	0.5
163.03929	0.4
165.01820	1.6
167.03458	0.5
167.08446	0.3
169.10156	0.5
171.04317	0.5
171.11707	1.0
172.05197	0.6
173.06104	0.5
173.09488	0.4
173.13303	0.6
174.03088	0.4
175.03897	0.8
175.07576	0.3
175.11259	0.5
179.08566	0.3
183.04416	0.5
183.11725	0.8
185.05960	0.6
185.09557	0.4
185.11546	0.3
185.13216	0.8
187.07510	0.8
187.14825	0.6
195.11699	0.5
197.06044	1.0
199.03885	1.1
199.14755	0.8
201.12724	0.5
201.16353	0.4
201.20442	0.3
203.03331	0.3
203.07036	1.2
205.05043	0.3
207.11775	0.3
211.03864	0.4
211.14742	0.5
213.05478	1.2
213.16457	0.7
214.06229	0.6
215.07054	1.0
215.14272	0.4
217.15825	0.6
223.14848	0.5
225.05362	0.8
227.14212	0.4
229.08641	0.5
239.03322	0.4
241.04913	2.7
241.08647	0.4
242.05766	1.5
243.06615	0.8
251.18140	0.4
253.04918	2.1
255.06566	0.4
267.06784	0.4
267.10083	0.4
269.04453	1.0
270.05234	5.0
271.06024	0.5
281.04492	1.6
283.05994	1.9
285.07501	0.7
289.07135	1.8
295.06000	0.4
295.09692	0.4
297.07547	1.5
298.04721	23.9
299.05136	0.9
301.07114	1.0
309.07608	0.8
313.07062	100.0
314.07391	1.7
315.07825	0.5
317.13998	0.7
327.08618	0.7
331.09485	0.4
333.07614	0.5
336.06186	0.5
337.06924	0.8
337.10757	0.7
339.08478	0.4
341.10315	0.6
349.10519	0.6
351.08633	0.5
353.10248	4.4
355.11758	1.0
363.12222	1.5
367.11826	2.8
379.11667	1.6
393.13171	0.5
417.31326	1.0
435.18213	10.1
435.27460	0.6
435.32672	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	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01859	1.9
57.03182	2.8
57.03438	30.7
59.04997	2.5
60.04510	3.4
61.02930	8.9
69.03431	70.4
69.79657	1.3
70.52808	4.4
71.01347	1.6
71.04993	1.8
73.02914	24.9
81.03423	6.3
81.07071	1.5
85.02908	100.0
87.04470	39.4
91.03954	3.1
91.05503	1.7
97.02896	72.1
99.04457	3.1
101.02388	2.1
104.14647	1.3
105.07025	25.0
107.04998	1.6
109.02871	8.0
115.03932	86.8
117.06977	2.1
127.03918	27.3
133.04967	74.4
145.04962	44.5
147.08101	2.9
150.07599	12.1
163.06018	19.1
167.07112	1.9
171.08109	2.3
173.09953	1.5
181.04964	5.3
201.09093	4.3
219.10272	2.9
223.06065	4.2
233.08061	2.1
241.07143	2.3
259.08157	5.0
271.06070	2.4
272.06390	5.8
284.06409	4.0
285.13428	2.8
288.05768	3.2
295.10233	2.8
314.07571	4.2
325.79492	1.5
335.98740	1.5
380.08511	1.8
398.09515	1.4
404.14685	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63766	1.6
53.94010	1.5
55.01871	5.6
57.03440	26.1
59.05001	4.0
60.04517	2.8
61.02929	8.8
67.05495	2.4
69.03435	73.5
69.03809	3.5
69.21495	13.8
69.21905	4.0
71.04990	1.9
72.08145	1.6
73.02934	19.3
75.04489	1.8
78.90395	1.4
79.05481	3.1
81.03407	7.1
81.07072	1.8
85.02911	100.0
86.09683	2.2
87.04477	43.4
88.04314	1.5
91.03978	3.5
91.05453	3.7
97.02899	79.7
97.06549	1.8
98.21545	2.3
99.04430	3.4
103.03931	2.6
103.05483	1.8
105.07039	49.8
106.99870	1.6
107.04951	2.3
109.02870	5.6
111.04410	1.7
115.03942	80.9
119.08571	2.0
120.08099	1.6
121.02845	4.0
122.03185	1.6
127.03931	26.8
128.04279	1.9
131.08569	2.4
131.63911	1.5
133.04980	76.4
137.02356	2.1
142.07339	1.7
145.04962	35.4
147.04465	1.8
147.08040	4.5
150.07617	9.8
159.08072	1.7
161.05948	2.1
163.06007	14.7
165.01944	2.6
168.08127	2.4
169.04942	1.6
171.07986	2.5
181.04974	8.9
182.05374	4.2
189.09128	2.6
201.09023	2.8
206.11797	1.6
221.08157	2.0
222.08586	2.7
223.06091	1.7
233.08012	2.5
241.07225	4.1
244.06693	1.5
259.08185	3.8
271.06015	28.0
272.06381	62.1
277.09256	2.6
283.06030	8.1
284.06421	18.1
285.07312	3.1
285.13489	3.2
287.05536	2.3
288.05780	6.3
295.10168	3.5
296.06528	2.2
298.07959	3.0
310.07883	2.6
313.06985	3.2
314.07474	13.1
324.09460	4.2
338.07471	7.7
368.08389	3.4
380.08432	4.4
398.09528	7.7
399.26636	1.5
404.14148	6.3
406.64545	1.6
416.10645	8.3
434.11450	7.3
435.21768	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	434.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16201	1.2
53.03955	6.9
55.01892	7.3
57.03434	3.3
61.02916	4.4
68.99810	2.6
69.03126	1.9
69.03440	19.8
71.04984	2.4
72.08171	1.9
73.02911	5.2
81.02992	1.3
81.03428	20.1
85.02914	52.5
87.00832	24.4
91.05486	4.0
97.02913	23.1
99.04452	12.8
103.03946	4.4
105.01881	19.4
105.07012	2.0
108.04506	2.7
109.02882	20.8
117.01866	4.1
119.04964	1.6
124.07605	3.5
127.03928	100.0
128.04265	34.9
129.01869	1.9
137.06004	1.8
145.04965	20.1
151.07564	22.2
159.02913	9.6
165.09169	6.9
175.07545	3.4
177.05583	1.7
189.09068	2.6
193.08601	19.5
195.06242	1.7
199.07530	1.9
213.04103	1.7
213.09320	1.4
217.08617	4.4
229.29422	1.8
231.04987	6.9
231.10066	2.1
235.09694	7.6
248.07738	2.1
259.09760	9.2
272.06372	2.4
277.10818	15.8
284.06381	2.0
371.95175	1.5
381.11551	3.4
404.40652	1.6
434.12054	1.5
458.49948	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.01863	3.7
57.03439	2.8
59.23589	1.1
61.02909	2.2
68.99803	1.5
69.03436	12.5
70.06574	1.8
70.45310	3.8
71.04991	3.3
72.08102	1.3
73.02907	3.9
75.11488	1.0
75.37110	1.0
80.95968	1.2
81.03427	15.0
85.02425	2.4
85.02910	36.9
85.85982	1.1
86.03241	1.8
87.00835	15.0
91.05479	2.2
92.51608	1.1
94.80046	1.3
95.44951	1.1
97.02912	14.2
99.04456	8.3
100.04788	1.6
103.03927	3.2
105.01866	14.4
108.04488	1.5
109.02902	14.9
110.03241	1.3
115.33404	1.1
116.07034	1.2
119.04954	2.2
124.07613	2.7
127.03922	100.0
128.04254	33.8
128.06187	1.2
129.01796	2.4
137.06020	2.1
145.04956	13.8
147.02968	1.3
151.07550	14.0
159.02925	6.8
165.09090	5.2
166.08591	1.6
175.07550	1.5
177.05473	1.5
182.08199	1.2
189.09180	1.5
193.08606	10.8
211.09715	1.8
217.08676	2.0
231.04999	4.8
235.09634	4.8
259.09659	5.9
277.10666	9.6
314.07477	1.7
381.11966	1.8
416.10486	1.5
425.94159	1.3
434.11911	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	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.7
55.05516	38.4
57.07070	3.2
59.05005	63.0
67.05514	20.6
67.05807	4.5
69.07068	7.5
70.10832	13.6
70.11166	3.9
79.05502	17.2
81.07053	24.4
83.04974	3.7
83.08596	3.8
85.06551	100.0
91.05482	44.1
93.07054	28.3
95.04960	7.5
95.08617	29.0
99.08080	7.9
101.06025	3.3
103.05458	5.5
105.07034	38.9
107.08591	23.2
109.06527	10.1
109.10136	24.2
111.08086	12.7
113.00032	12.9
115.05448	5.2
116.06175	4.1
117.07018	19.0
119.04946	3.6
119.08582	68.4
121.10140	23.4
122.07320	5.2
123.08073	11.1
123.11712	3.6
125.09641	24.7
128.06219	7.3
129.07004	6.4
130.07779	5.3
131.08578	28.3
133.10127	24.1
135.08064	7.3
135.11726	13.3
137.09613	21.4
141.07031	8.7
141.09145	3.5
142.07799	12.7
143.08585	26.2
144.09360	8.1
145.10130	34.6
147.08031	7.3
147.11661	8.9
149.09628	10.0
151.11182	31.5
153.07022	4.8
155.08534	11.5
156.09326	9.2
157.10121	28.3
159.11678	15.7
161.09535	4.8
161.13243	5.4
163.11180	9.5
167.08574	9.1
168.09364	6.0
169.02591	11.4
169.10146	19.4
171.11670	22.4
173.09601	5.4
173.13235	10.3
175.11118	5.2
179.08562	7.3
181.10107	7.8
183.11710	16.5
185.13249	6.7
189.12788	8.9
193.10150	7.4
195.11671	12.2
197.13272	13.8
199.14943	4.5
203.14401	8.5
206.10681	3.4
207.11713	5.6
209.13268	11.6
211.14839	6.1
215.14337	5.3
221.13322	11.4
223.14777	8.5
235.14711	7.1
237.16435	5.3
247.14812	3.3
249.16377	3.3
265.19641	4.4
283.06082	14.5
284.06787	6.9
287.30365	3.2
313.07040	11.6
337.07086	5.9
397.09262	4.6
403.19278	4.9
415.10419	3.7
418.21533	4.3
433.11597	6.9
433.19412	9.9
433.23895	22.4
433.31177	14.2
436.53571	3.4
441.71399	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59762	2.4
53.03941	4.7
53.45188	2.8
54.35003	2.3
55.05291	3.4
55.05518	35.0
59.05004	60.1
67.05508	12.7
69.03448	4.9
69.07079	11.4
70.97524	5.3
71.05006	3.4
75.04531	2.8
79.05495	20.5
81.07062	18.8
83.08633	3.7
85.06552	100.0
88.62361	2.6
91.04963	4.3
91.05495	59.0
93.07051	32.0
95.04960	6.9
95.08614	28.3
99.08098	5.2
103.05450	5.2
105.07036	45.9
107.08606	29.0
109.06535	10.9
109.10197	17.3
111.08085	10.7
113.00027	12.1
115.05447	6.7
116.06269	4.7
117.07017	14.3
119.08591	68.9
121.06463	4.8
121.10157	26.0
122.07290	4.3
123.08092	8.8
123.11714	4.4
125.09620	20.0
128.06270	9.9
129.07007	12.4
130.07832	5.6
131.08557	25.3
133.10141	32.8
135.08086	5.4
135.11690	13.4
137.09633	26.6
141.06998	5.8
142.07767	13.3
143.08575	24.1
144.09329	4.9
145.10141	29.2
147.08060	6.8
147.11705	14.2
149.09619	6.8
151.11192	33.0
155.08598	12.3
156.09329	8.2
157.10156	26.9
159.08127	3.4
159.11690	18.3
161.09674	4.1
161.13322	2.8
163.11313	6.2
165.07019	5.5
165.12961	3.0
167.08569	3.8
168.09267	2.7
169.02615	12.5
169.10150	12.8
170.10941	6.1
171.11728	18.4
173.09749	4.0
173.13240	7.0
175.11171	4.6
175.14931	3.1
179.08578	7.0
180.09465	3.8
181.10161	4.8
182.10881	3.9
183.11768	13.5
185.13290	12.7
187.14816	3.4
189.12794	5.6
192.09425	3.1
193.10233	8.2
194.10832	3.7
195.11682	9.9
196.12511	4.4
197.13312	10.5
199.14830	6.2
203.14360	8.1
207.11761	5.9
209.13300	14.0
211.14813	4.8
213.12756	3.0
215.14276	7.2
219.11887	3.2
220.12448	5.1
221.13286	8.7
223.14851	10.7
225.16360	3.9
235.14815	5.6
249.16449	4.7
263.18063	3.7
265.19446	4.4
266.76755	2.9
267.17566	3.8
283.06134	15.2
284.06702	4.0
313.07056	14.8
317.22794	3.4
323.08990	4.5
337.07233	3.9
345.52515	2.9
349.07132	3.6
354.25427	4.9
397.09277	3.8
433.11792	7.4
433.31119	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	433.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00475	1.9
65.03935	2.8
67.05500	4.8
69.07054	3.3
71.57942	3.0
76.14956	1.8
79.05508	3.9
81.07037	8.6
82.75911	2.0
85.06522	6.3
91.05016	2.4
91.05485	55.1
93.07036	4.7
95.08593	3.0
105.03390	3.6
105.07035	11.6
107.08569	2.4
109.10172	3.4
115.05451	2.7
117.07014	3.5
119.04980	3.0
119.08614	2.9
121.02894	6.3
121.10151	2.7
123.26112	2.0
126.72144	2.0
129.07028	4.0
131.08583	3.4
141.75293	1.8
142.07793	2.4
143.08630	3.1
145.02890	2.5
145.10127	2.7
147.11670	2.1
149.02451	1.9
157.10161	9.4
163.03856	2.1
165.01831	6.1
165.07007	5.8
167.03429	3.1
167.08623	2.0
169.10124	3.0
175.11276	2.1
177.05511	4.6
178.07848	5.0
179.08528	3.8
180.09357	2.9
181.10143	3.7
191.07025	4.2
193.10110	6.0
195.08040	3.0
203.06985	2.7
205.04961	5.3
206.07368	2.1
208.08882	3.8
209.09740	4.1
211.07574	2.6
221.09604	8.3
223.07492	3.0
229.08527	2.6
236.08267	4.7
249.09088	7.5
253.08441	2.4
255.10045	3.6
257.07959	2.9
259.09686	4.2
266.10977	2.9
267.06512	5.0
267.10190	3.8
271.05954	8.2
277.08511	2.6
279.10187	32.2
281.08124	2.9
283.06036	45.6
283.10922	2.2
284.06717	6.8
284.12039	2.5
291.10229	2.1
295.06033	7.9
296.06421	4.5
297.06885	6.1
309.07617	8.6
313.07050	32.9
313.12473	2.6
323.09201	9.0
327.13812	38.8
329.15280	2.4
333.07452	2.7
335.16336	3.9
337.07135	15.4
341.15100	3.6
349.07092	4.1
359.11963	2.6
359.16440	38.0
361.07120	3.9
367.08093	9.0
379.08063	6.8
387.11240	2.2
397.09177	14.3
415.10724	10.9
415.22717	100.0
416.22983	2.8
433.11636	12.2
433.20020	5.6
433.30566	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	433.1343
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03933	0.9
55.01856	0.4
57.03438	0.5
61.02936	0.5
69.03430	2.3
69.21651	0.6
69.22054	1.6
71.04994	0.4
73.02912	0.5
81.03427	2.6
85.02914	5.8
97.02894	3.6
99.04459	4.3
103.03951	4.1
109.02879	2.7
127.03926	100.0
128.04271	0.8
145.04982	3.8
163.06017	0.3
165.18785	0.2
169.05069	0.3
181.04907	0.5
187.06108	1.0
271.05829	1.2
271.08536	0.4
393.63763	0.2
433.13052	0.4
433.20993	0.4
437.86227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	1.0
56.96568	20.6
63.28222	0.6
63.98489	0.6
67.05520	0.6
69.07053	0.9
69.69420	0.7
71.58283	0.6
81.07042	1.3
84.95516	0.6
84.96028	2.2
91.05474	2.4
93.07019	1.3
95.08591	1.3
105.07024	1.6
107.08603	1.3
119.05017	0.8
119.08581	1.4
121.02898	1.8
133.10124	0.7
143.08492	0.8
145.10147	0.8
147.11662	0.7
157.10112	0.8
165.01898	2.5
167.03381	0.9
177.02249	0.7
187.04112	0.9
188.97211	0.6
189.02405	0.6
191.03418	0.7
195.03056	0.8
196.57455	0.6
197.01155	0.8
207.03366	0.9
227.03867	1.3
229.05330	1.0
231.03290	1.6
236.59581	0.7
239.03815	2.0
241.01669	1.3
241.05367	0.7
243.06866	0.9
245.04948	3.7
249.04402	1.6
253.05391	1.2
255.03293	2.1
257.04849	7.0
259.02853	2.2
261.04315	1.7
267.06500	1.2
267.09845	0.7
269.04968	1.6
271.06277	4.9
273.04263	3.5
275.05957	1.8
281.08029	1.0
283.06033	15.3
284.06827	1.6
285.04306	1.9
286.05057	0.9
287.05927	2.2
289.07382	1.3
293.08203	0.9
295.06149	3.3
297.04398	1.2
297.07803	1.8
299.05823	1.0
301.07510	1.9
303.05356	0.8
305.07205	2.8
309.04401	1.0
309.07660	4.7
311.05826	2.7
311.09375	0.8
313.07129	12.2
313.10730	0.9
314.07526	1.1
315.05405	2.9
319.09918	3.4
321.07742	1.4
323.09653	3.1
324.10092	1.1
327.05313	2.5
327.08850	1.0
333.07315	1.6
335.09460	0.9
337.07159	6.5
337.11176	3.8
338.07581	1.0
339.05322	1.0
339.12640	1.4
345.06326	1.3
345.15234	1.0
349.07285	1.9
351.09161	1.1
353.10568	2.3
361.07126	0.9
363.09116	3.9
363.16275	9.4
365.10782	1.3
367.08328	3.3
371.16626	1.0
377.14368	3.2
379.08133	2.2
381.10065	10.1
381.17416	2.6
385.09576	1.4
387.16299	2.2
389.17896	56.8
390.18347	1.8
395.15353	2.7
397.09198	2.8
397.14798	3.8
399.11035	2.6
403.15753	1.1
405.17029	2.8
407.18945	27.0
408.19165	0.8
415.10379	1.9
415.15610	20.1
421.16913	1.9
425.20441	0.8
430.20621	6.3
433.12378	4.9
433.16891	100.0
434.17297	5.5
438.17258	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1261
Annotation	Torin 2
Peak:m/z	Relative Intensity
50.50288	0.9
55.05512	1.5
56.48241	0.9
58.76912	0.8
62.79897	0.8
62.89825	0.8
67.05489	2.4
71.01876	1.8
74.74328	0.8
79.05473	2.4
81.06627	0.8
81.07056	2.6
91.05486	1.9
91.45272	0.8
93.07038	2.3
95.04980	1.9
95.08601	1.3
105.07047	2.2
106.51345	0.9
107.04959	1.3
107.08595	1.1
121.02888	2.1
121.06484	0.8
121.28564	0.8
123.11290	0.9
129.07007	1.9
131.04951	1.1
133.06499	0.8
143.08603	1.4
145.06482	1.9
145.10120	0.9
149.02145	1.1
149.09628	1.3
161.02431	0.9
163.04013	0.9
165.01923	2.7
169.10216	1.2
194.11731	0.9
213.05508	1.2
251.06819	6.1
255.06561	2.5
256.07214	1.2
267.06558	1.1
271.06033	3.3
281.08099	1.2
283.06046	16.3
284.06775	3.0
295.06149	3.1
297.07773	1.9
309.07574	2.6
313.07022	13.8
323.09015	2.9
323.20135	1.0
333.07816	1.5
337.06979	6.9
341.21005	2.9
349.07132	2.0
367.08090	3.8
379.08221	3.2
397.09326	4.6
401.10025	7.2
402.10788	1.8
403.07507	1.3
415.10336	3.4
418.10565	1.4
433.12607	100.0
433.25696	2.4
434.12906	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	433.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01871	0.9
56.96560	2.6
57.03460	0.8
71.55701	1.0
79.05488	1.5
81.03440	0.9
81.07055	1.5
85.02894	1.5
91.05486	7.2
93.07067	2.7
93.12838	0.9
95.04979	2.7
105.07034	2.3
109.10158	1.9
119.04951	1.6
119.08590	1.3
121.02879	7.4
121.06517	66.5
123.00820	1.9
125.05968	1.4
133.06528	1.5
135.04440	18.7
135.11670	1.5
145.02931	1.4
149.02373	1.4
149.05997	31.8
150.06738	9.2
151.03963	1.6
152.01057	4.6
153.01860	1.6
157.10207	1.1
161.06007	1.2
163.03923	2.7
165.01811	5.8
171.08113	3.6
183.03009	2.5
183.08099	1.3
187.03839	1.4
191.03499	1.0
211.07503	1.5
213.05563	2.3
217.05092	1.4
229.08658	3.1
241.04958	2.2
255.06549	29.3
255.09225	1.6
256.07095	4.6
267.06534	4.2
269.04630	1.2
270.05200	2.2
271.06055	10.2
281.08099	2.7
283.06039	64.5
284.06799	50.8
285.07553	20.0
286.07867	1.1
293.08051	3.3
295.05997	5.1
297.04599	1.2
297.07736	3.9
307.06262	1.3
309.07428	9.0
313.07086	40.7
314.07697	2.4
323.09134	7.1
337.07086	15.9
343.08240	1.2
349.07169	4.5
351.08734	2.0
361.07053	2.7
365.14020	1.4
367.08139	9.8
379.08224	10.3
397.09204	12.9
397.17761	3.0
403.07870	2.3
415.10394	12.6
415.18823	29.2
418.10361	4.6
433.12726	100.0
434.13040	2.2
443.26883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1261
Annotation	Torin 2
Peak:m/z	Relative Intensity
52.12397	1.2
52.17484	1.0
58.73288	1.2
69.64380	3.0
69.64794	3.7
89.03452	1.1
99.11591	1.2
113.13906	1.2
121.02906	1.7
125.06185	1.0
135.45811	1.1
137.78262	1.1
149.02354	4.0
165.01906	1.8
175.63490	1.0
191.59035	1.0
256.07849	1.1
271.06064	2.7
283.06027	12.9
284.06784	1.8
295.06076	1.5
297.07690	1.6
309.07642	2.8
313.07025	9.1
323.09033	3.9
337.07214	4.5
349.06650	1.5
365.13934	3.3
366.55972	1.7
367.08450	1.9
379.07880	2.1
393.13336	3.7
397.09314	3.9
410.17422	1.2
415.10590	3.9
421.11526	2.6
422.12750	4.9
422.63596	1.7
430.11819	4.0
433.12619	100.0
433.64191	1.5
434.12930	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	433.1262
Annotation	Torin 2
Peak:m/z	Relative Intensity
54.48621	1.7
55.05516	1.5
67.05495	2.5
70.69509	2.1
70.69842	3.2
79.05481	3.1
81.07066	3.6
91.05453	1.5
93.07052	2.8
95.08622	2.7
96.33477	1.5
105.07063	2.6
107.08582	2.3
109.10157	3.1
117.89877	1.3
119.04958	2.5
119.08598	2.1
121.02886	8.5
127.03918	4.0
133.10124	1.8
135.00247	1.6
145.10178	1.8
159.11736	1.8
163.03929	1.9
165.01834	8.5
167.03360	1.7
176.26973	1.4
177.01959	1.4
183.02972	4.1
267.06613	5.5
271.06012	14.6
281.08151	4.5
283.06033	62.6
284.03943	1.8
284.06680	9.2
295.06119	9.3
295.09341	1.8
297.07648	4.1
305.08279	2.0
309.07507	11.4
313.07095	44.0
323.09140	10.6
325.07059	2.4
337.07062	21.1
349.07077	4.9
361.07013	4.6
367.08289	9.9
379.08142	7.3
397.09268	11.8
415.10367	14.5
433.12598	100.0
433.29379	6.5
434.12845	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	433.1265
Annotation	Torin 2
Peak:m/z	Relative Intensity
50.00458	1.2
50.54703	1.2
55.19963	1.2
67.05496	1.7
69.23833	1.2
75.89120	1.1
77.45745	1.2
81.07039	3.0
85.02836	1.4
91.05492	3.0
93.07053	1.9
95.05025	1.4
95.74842	1.2
98.21504	2.4
105.06965	1.5
107.08591	1.3
119.04955	2.9
121.02853	6.1
131.08586	1.6
139.07536	1.3
145.02875	1.5
145.10155	1.3
147.04413	2.0
149.02332	1.9
159.11745	1.1
163.03894	2.7
165.01813	6.8
167.03305	1.4
171.29152	1.2
183.02913	2.7
191.07025	1.5
223.02505	1.1
229.22864	1.6
239.07047	1.5
243.02852	1.6
255.06653	1.8
267.06497	3.7
271.05988	11.3
281.07941	3.5
283.06033	47.7
284.06757	10.0
291.06448	1.9
293.07870	60.8
295.05969	5.2
297.07520	4.0
305.08105	1.6
308.06775	2.4
309.07446	5.5
313.03534	2.5
313.07083	38.3
316.06766	1.4
321.07770	2.1
323.09055	9.6
337.07101	17.1
349.06970	2.6
349.10913	1.4
361.06888	4.0
362.11682	1.4
365.13910	7.8
365.57043	1.8
367.08060	11.4
379.08212	7.2
392.12582	1.9
393.13281	7.8
397.09229	10.7
397.17581	2.8
399.23367	1.3
404.11841	2.0
405.61359	1.7
407.62619	2.2
413.12314	2.8
415.10333	10.9
415.18716	16.2
421.11246	5.1
422.12842	6.1
430.11649	4.8
433.12424	100.0
433.19766	60.2
433.25146	2.1
433.63806	2.4
434.12686	2.2
436.09308	1.8
439.12668	2.0
441.62619	1.5
451.12546	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1136
Annotation	Afzelin
Peak:m/z	Relative Intensity
65.03942	0.5
67.05509	0.2
68.99793	0.8
69.03430	0.5
71.05002	0.5
71.54581	0.2
71.57678	0.3
72.08149	0.5
74.06088	0.3
75.74956	0.2
78.06918	0.2
79.05488	0.2
81.03405	0.4
81.94534	0.2
82.06571	0.4
85.02898	0.8
86.09724	0.3
94.66070	0.2
95.04967	0.2
95.24216	0.3
97.02904	0.4
98.86866	0.2
105.01891	0.3
105.03413	0.6
107.04971	0.7
109.02897	0.4
111.00803	0.7
119.04889	0.2
121.02872	3.5
127.03918	1.8
133.02858	0.9
135.04356	0.5
137.02348	3.4
137.05922	0.3
141.06931	0.6
145.06474	0.5
145.36575	0.2
146.44901	0.2
147.04408	0.6
149.07106	0.8
153.01831	5.1
155.95990	0.2
157.06512	0.5
161.02341	0.4
163.03876	0.3
165.01852	2.7
167.08180	0.7
169.06490	0.6
171.04524	0.3
181.04895	0.2
181.06526	0.3
183.02913	0.9
183.04306	0.2
185.05893	0.4
185.09312	0.4
189.05357	0.3
196.12054	0.2
197.06049	1.2
199.03920	0.3
203.06870	0.2
205.15556	0.3
213.05447	1.5
215.07018	1.8
225.05508	2.2
229.05005	0.2
231.06567	0.9
241.05002	1.0
243.06575	0.5
253.04967	0.8
254.27191	0.2
258.05280	1.0
259.06039	0.7
271.06027	30.6
272.06427	0.5
283.06082	1.9
284.06708	0.5
287.05511	100.0
288.05826	1.8
295.06012	0.6
297.07483	0.4
309.07355	0.3
313.07141	1.5
323.09097	0.2
337.07047	0.5
347.13196	0.5
349.06931	0.3
367.08063	0.4
371.16736	0.3
378.30298	0.2
379.07956	0.3
389.13950	1.2
394.22253	0.2
397.09094	0.8
409.08981	0.2
415.10309	0.7
433.12653	2.8
433.20862	0.4
451.67706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
65.03947	0.3
67.05479	0.1
68.99480	0.1
68.99791	0.8
69.03427	0.3
70.99696	0.1
71.14893	0.3
81.03419	0.5
81.07053	0.1
85.02889	0.4
86.09729	0.2
88.86450	0.1
91.05444	0.2
91.34832	0.1
95.01333	0.2
97.02882	0.2
107.04964	0.1
107.08620	0.2
109.02886	0.4
111.04454	0.4
121.02917	0.2
125.06013	0.2
125.07131	0.2
127.03923	1.0
135.04413	1.7
137.02348	5.2
141.06956	0.2
147.04477	0.1
153.01715	0.1
153.05435	0.2
155.03429	0.7
157.06393	0.2
161.02348	2.3
165.08792	0.2
167.08147	0.2
169.06474	0.3
171.10159	0.3
181.04977	0.2
185.06012	0.3
185.07942	0.2
197.06082	0.3
203.03543	0.1
215.07056	0.2
219.02968	0.1
225.05508	0.3
243.06570	0.3
253.05013	0.4
271.06021	100.0
272.06311	1.7
283.05936	0.6
287.05530	0.6
301.06931	0.1
313.07059	0.5
329.11844	0.2
337.07037	0.2
347.13208	0.3
367.08093	0.2
370.66776	0.1
389.14026	1.9
389.17810	0.2
415.10172	0.4
433.12350	2.3
433.17633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.46837	0.2
53.69304	0.2
60.23258	0.2
67.01852	0.7
68.99793	0.5
70.03191	0.9
70.03583	0.5
77.37810	0.2
89.10241	0.2
91.05477	0.6
104.19919	0.3
119.04959	1.8
119.49303	0.3
121.02864	0.6
127.03950	0.2
139.22211	0.2
145.02838	0.8
153.01823	4.7
165.01863	0.5
176.53368	0.2
191.20129	0.2
225.05470	0.5
238.92133	0.3
243.06493	0.4
271.06009	100.0
272.06384	1.9
283.06033	1.8
299.74942	0.2
309.07532	0.5
313.07159	0.8
337.06924	0.3
367.08124	0.3
379.08710	0.3
397.08978	0.4
415.09537	0.3
433.11285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Galanginin
Peak:m/z	Relative Intensity
53.03937	0.4
55.01870	0.5
57.03416	0.3
63.73669	0.2
64.05781	0.2
65.03942	0.4
68.26136	0.2
68.99778	1.2
69.03426	1.0
69.07081	0.2
69.25242	1.0
69.25674	1.1
70.06604	1.1
71.04979	0.4
72.08142	0.7
73.02911	0.3
79.05493	0.5
81.03428	1.1
81.07074	0.3
82.04214	0.3
85.02890	1.3
86.09664	0.5
87.00830	0.3
91.05479	0.3
93.07060	0.3
95.01256	0.2
95.04958	0.4
97.02905	0.5
98.21544	0.3
99.04436	0.3
105.01839	0.4
105.07035	0.4
107.04976	1.0
109.02885	0.8
115.05467	0.2
116.07103	3.0
119.04950	0.8
120.08115	1.1
121.02873	2.2
121.03990	0.5
125.09636	0.3
127.03926	2.6
128.10699	0.2
133.06485	0.6
135.04416	1.6
137.02350	4.7
141.06952	0.3
145.02873	0.6
147.04439	0.3
149.02293	0.4
153.01869	0.8
155.03409	0.5
161.02344	2.1
161.06027	0.4
163.03934	0.9
165.01833	3.3
167.03441	0.3
167.07027	0.9
169.06477	0.3
172.16203	0.2
174.09930	0.2
175.03943	0.4
177.01845	0.3
181.04947	3.1
183.02953	0.4
185.05928	0.3
189.32877	0.3
191.11865	0.3
193.08548	0.3
195.02953	0.4
203.03400	0.3
213.05519	0.5
215.03265	0.3
219.11316	0.8
221.08104	1.0
229.04984	0.3
241.04939	0.4
243.06464	0.3
249.07573	0.8
255.06451	0.3
266.05539	0.2
267.06473	1.4
269.04428	0.2
270.05206	0.7
271.06018	100.0
272.06268	2.3
279.06345	0.4
281.08017	1.2
283.06033	16.5
284.06638	1.6
287.05499	10.3
287.08780	0.3
288.06073	0.2
295.06027	1.9
295.09534	0.5
297.07507	0.7
305.08124	0.6
307.06018	0.6
308.06729	0.4
309.07581	3.8
313.07059	10.5
321.07614	0.8
323.09164	2.7
333.07666	0.5
337.07059	6.3
349.07080	2.0
349.10846	0.3
351.08615	0.6
361.07144	1.9
367.08191	3.3
379.08139	3.3
397.09192	3.1
403.13931	2.7
415.10339	1.9
433.10294	2.9
433.16916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Isovitexin
Peak:m/z	Relative Intensity
53.40503	0.4
55.01892	1.0
57.03442	0.7
57.85002	0.5
61.02921	0.5
65.03954	0.5
68.99796	1.0
69.25610	4.2
72.64344	0.4
73.47298	0.4
74.87109	0.4
81.03428	1.3
82.17757	0.4
82.95618	0.4
85.02912	1.5
85.53707	0.5
91.05516	1.0
93.03368	0.6
97.02889	0.4
103.03915	0.7
109.02905	1.3
109.39192	0.4
119.04941	3.7
121.02876	11.4
123.00793	0.6
135.04408	0.6
137.02364	0.7
141.01834	1.2
145.02858	3.2
145.54865	0.4
147.04480	0.6
149.02367	2.0
163.03928	3.6
164.12408	0.4
165.01837	16.8
166.60378	0.5
167.03426	3.1
169.02910	0.5
170.57207	0.5
175.03983	0.5
177.01862	2.1
177.05542	0.6
178.99800	0.5
179.03386	0.6
181.04950	0.9
183.02911	3.2
187.03914	2.2
189.01814	0.8
191.03458	2.0
195.02921	2.2
203.03325	0.5
205.04990	1.3
210.06761	0.6
211.07564	0.5
213.05449	1.0
215.03503	0.5
217.05037	0.8
229.05026	0.9
239.07045	1.0
242.05641	0.6
243.02940	1.5
243.06429	0.6
253.08502	0.4
255.06517	1.6
256.07294	1.9
261.04001	0.8
267.06534	8.5
270.05194	3.0
271.05994	6.9
279.06476	2.0
281.08084	6.7
283.06021	100.0
284.06799	13.3
284.09946	0.5
285.07544	1.2
293.07990	0.8
295.06021	11.3
295.09598	2.5
297.04279	0.9
297.07556	6.0
305.08133	2.4
307.06079	1.8
308.06900	2.8
309.04053	1.2
309.07547	21.4
311.05527	1.2
313.07065	67.9
321.07587	2.8
323.09134	16.1
325.07132	1.2
333.07529	3.9
335.05472	0.8
337.07071	32.9
343.08066	1.4
349.07077	10.6
351.08578	4.2
361.07053	7.5
367.08133	17.8
367.12720	1.0
379.08160	17.7
397.09195	18.9
415.10257	12.6
433.11316	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	432.9645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40258	1.5
52.71974	1.8
56.96555	7.3
69.29945	7.7
69.30369	6.6
74.55373	1.5
89.67951	1.3
98.21438	3.6
98.97588	85.0
116.98627	34.7
117.41934	1.5
134.99646	6.8
167.22559	1.7
172.94310	4.2
190.95430	3.5
196.69965	1.4
214.95384	2.4
232.96484	6.1
256.96451	22.5
274.97519	100.0
290.51874	1.4
292.95377	2.6
292.98587	39.7
297.99207	2.3
301.30478	1.5
308.47192	1.6
414.95413	13.7
432.96545	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	433.1133
Annotation	6-C-beta-D-Galactosylapigenin
Peak:m/z	Relative Intensity
54.96421	0.9
60.87561	1.0
69.11131	0.9
70.23402	4.0
78.30531	0.8
79.01850	2.7
81.03436	1.4
85.02909	1.4
90.64783	0.8
94.93222	1.0
98.21492	1.0
101.96053	1.0
119.04905	5.1
121.02873	14.0
123.00817	0.8
127.03915	2.6
141.01782	1.1
145.02844	2.7
149.02425	1.5
153.01830	2.1
163.03918	3.3
165.01816	10.4
167.03319	1.3
171.02910	1.3
177.01808	0.9
183.02895	2.3
187.04019	1.5
191.03358	1.0
195.02951	1.8
213.05493	3.7
217.05045	1.8
227.07152	1.1
239.07170	1.2
242.05968	1.3
243.02861	2.1
243.06555	1.2
255.06586	3.0
256.07355	3.7
259.05923	1.6
261.03903	1.9
267.06546	4.0
270.00085	1.0
270.05295	1.9
271.06052	17.8
275.49896	1.0
279.06531	1.7
281.08121	3.8
283.06030	100.0
284.06744	23.7
285.07550	1.4
287.05548	16.9
295.06085	15.0
295.09427	1.9
297.07550	9.0
305.08194	2.2
307.06152	2.0
308.06766	2.3
309.03964	2.0
309.07523	16.0
311.05508	1.3
313.07077	76.3
314.07547	1.8
321.07446	1.9
323.05655	1.5
323.09119	20.6
325.07141	3.3
333.07703	2.5
335.05194	1.0
337.07074	31.0
337.11157	1.9
343.08121	4.3
349.07074	7.6
351.08658	5.4
355.08337	1.7
361.07025	6.1
367.08182	19.0
379.08121	15.4
397.09204	27.5
415.10260	31.4
433.11380	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38369	1.5
53.03941	1.8
55.05510	1.7
56.96571	6.8
57.03432	2.4
61.02929	3.4
69.03423	9.6
69.33735	4.5
69.34148	10.1
70.06600	7.0
72.08153	12.0
73.02911	2.8
74.06081	1.8
79.05499	1.8
79.36526	1.7
81.03430	5.3
84.04494	2.2
84.08147	4.8
85.02908	13.8
86.09714	5.5
87.04482	3.0
88.02194	3.0
91.05482	2.7
93.07036	3.4
95.04956	2.3
97.02894	9.0
98.09682	2.8
98.97584	13.5
99.04492	4.2
102.05532	2.3
103.05460	7.6
105.07066	1.7
107.04931	2.4
108.08138	1.8
109.02882	2.4
110.97593	3.2
112.07588	3.1
112.99171	2.4
116.98657	4.0
120.08116	100.0
120.97995	1.8
121.06493	2.1
121.08441	2.0
124.03942	1.8
124.07573	1.9
124.99033	1.5
127.03924	11.1
128.98608	2.3
130.08676	3.2
131.04958	4.6
135.04366	1.6
136.06192	2.4
136.07585	4.7
137.05983	3.5
138.09161	4.1
139.79887	1.5
140.07043	2.2
143.00198	2.2
145.02875	1.6
145.04980	3.8
147.04457	1.8
152.07033	2.2
158.11786	3.8
158.99640	3.9
166.04999	2.2
166.08646	46.6
167.06996	1.6
170.99734	2.0
177.00711	3.9
177.05515	5.3
178.05840	1.7
182.08102	2.0
184.09712	3.1
201.00775	2.4
201.04375	2.5
219.01831	7.0
224.06313	2.1
224.12804	2.0
234.11073	1.7
237.02847	6.6
247.06419	3.0
260.07336	1.9
260.10168	2.9
265.06516	2.3
270.11264	21.5
270.13571	3.6
281.10135	3.6
334.92355	1.7
345.67139	1.7
363.40784	1.6
432.16226	13.2
432.23511	13.7
433.17078	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	432.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01880	2.6
57.03453	1.6
68.99793	3.2
69.03430	7.6
70.06587	2.3
70.11064	5.0
71.05012	1.2
72.08161	1.9
73.02914	1.9
79.05513	1.1
81.03424	6.8
84.08167	1.2
85.02913	27.2
87.00837	11.4
87.09928	1.0
95.04981	1.6
95.21751	1.0
97.02907	11.0
99.04464	3.0
103.03938	2.2
103.05435	1.1
105.01881	11.6
105.07061	2.3
107.04972	9.5
109.02901	8.2
116.07143	1.2
117.34419	1.1
119.04961	1.6
119.08617	1.3
121.02856	1.7
121.06495	1.1
124.24461	1.1
127.03072	1.7
127.03926	18.0
127.49316	1.0
131.04961	3.2
135.04404	3.5
137.02327	6.3
145.04964	8.4
147.04459	1.1
147.11667	1.4
149.05966	3.6
149.09666	2.6
155.03455	1.1
159.02936	2.6
161.02330	2.1
165.01888	3.0
173.05997	3.2
173.09659	3.5
179.03300	1.1
181.05005	3.1
187.17909	1.0
189.03943	3.8
191.10706	2.9
207.13757	1.9
211.11182	1.5
215.07059	1.2
215.10686	3.1
231.04958	3.8
233.11839	1.2
233.38432	1.1
239.10657	1.4
257.11670	2.3
271.06027	100.0
281.08157	1.2
283.06015	9.9
287.05396	6.3
293.09045	1.2
294.82425	1.2
299.05515	3.6
300.05896	11.2
301.06329	1.2
304.07193	1.0
307.06177	1.6
309.07562	1.9
311.10315	1.8
312.05917	1.7
313.07129	5.4
321.07559	1.8
326.07370	3.9
329.11261	1.7
337.07043	4.0
340.09064	3.3
349.07092	1.6
354.06815	5.7
361.07184	1.3
367.08286	1.3
378.07056	1.4
379.08148	2.5
384.07922	3.2
396.08011	2.0
414.08981	3.7
432.10117	8.8
432.23065	7.9
433.09525	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13153	0.5
54.32999	0.6
55.01852	0.9
55.05479	1.1
56.96542	1.5
67.05476	1.0
69.07030	0.8
69.54529	0.5
69.78855	2.4
69.79276	1.2
72.91399	0.6
78.79571	0.5
79.05462	1.0
81.07020	1.8
83.73446	0.7
87.78680	0.5
91.05489	5.2
93.07006	1.5
95.05000	0.7
95.08550	0.7
99.61854	0.6
105.07047	4.3
107.08536	1.4
109.10181	0.7
115.35356	0.5
119.08553	1.9
121.06456	1.2
121.10109	0.8
131.08490	0.7
133.10092	1.5
135.04349	1.0
135.11667	0.6
147.11693	1.1
151.03859	1.0
157.10182	0.6
167.08524	0.7
168.05725	0.6
174.94119	0.5
177.05496	3.0
179.03391	0.6
193.05029	1.1
196.05238	1.3
199.07455	0.8
200.14851	0.6
203.07068	5.5
205.04970	1.9
208.05223	3.1
211.07574	1.5
216.77432	0.6
224.04672	3.8
227.07074	2.5
227.10689	1.1
229.08652	0.7
236.04665	1.6
239.07068	5.1
251.07034	2.0
252.04178	1.1
267.06497	1.7
279.06287	31.7
280.03644	2.4
280.06595	1.0
295.06027	79.0
296.06424	1.5
333.11240	0.8
333.17279	5.9
351.18509	2.3
374.20090	0.8
383.36606	0.7
413.12302	0.9
413.17163	0.8
422.84332	0.7
431.18362	100.0
431.31046	2.0
432.18774	3.6
457.80237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2197
Annotation	Cinegalline
Peak:m/z	Relative Intensity
50.68813	1.1
55.05515	1.8
55.61026	1.0
56.13597	1.1
56.97221	1.1
67.05517	3.1
69.07061	3.9
71.04995	1.6
71.58564	2.2
79.05477	1.6
80.88528	1.2
81.07056	4.5
88.48270	1.1
91.05479	4.0
93.07045	2.6
95.08619	2.4
105.07012	2.5
109.10145	3.3
113.24678	1.3
118.31474	1.2
119.08569	2.6
121.10065	1.2
135.11624	1.9
137.06058	1.3
145.10164	1.9
169.02556	2.1
173.13257	1.7
203.07036	3.4
227.03163	93.7
238.55798	1.3
242.03740	1.3
268.05923	1.8
286.09616	1.3
375.23236	3.5
431.22025	100.0
431.31561	5.0
432.22391	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48637	0.4
68.81965	0.4
69.07066	0.6
69.78088	1.6
81.07050	1.0
85.11024	0.4
90.82723	0.4
91.05485	1.2
93.07043	0.8
95.04971	0.8
105.07015	0.5
107.08582	0.5
114.75068	0.5
135.04451	0.6
135.11681	0.6
145.10133	0.4
149.02335	1.5
150.29932	0.5
151.03922	4.3
163.03911	0.6
167.03416	0.9
203.07034	0.9
205.08618	1.5
211.05785	0.6
221.83652	0.4
225.09151	0.6
229.06851	0.5
241.34155	0.4
279.06323	3.2
281.15442	1.2
292.59869	0.4
299.05396	0.5
367.11725	0.6
399.08975	0.6
399.14191	1.0
413.17252	100.0
414.17538	4.1
431.11115	5.5
431.18304	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	431.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70500	0.5
56.96566	1.2
59.95301	0.6
63.00432	0.4
67.05491	0.5
70.29742	0.7
70.30123	0.8
79.05479	1.4
81.58167	0.6
91.05483	0.8
93.07019	0.5
95.08627	0.6
103.05465	0.5
105.07022	1.0
107.08610	0.6
121.10142	0.7
123.00810	0.7
123.08167	0.5
137.05974	2.1
145.10165	0.5
149.02339	0.6
155.08498	0.5
203.07068	3.5
204.07365	1.2
216.47223	0.5
226.11092	0.5
227.10678	0.5
263.20068	0.5
274.06042	1.1
275.06766	0.6
291.06229	9.5
291.08804	0.7
299.05450	0.8
313.62476	1.5
353.06213	0.6
413.17267	2.4
431.18326	100.0
432.18555	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	431.1828
Annotation	2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
Peak:m/z	Relative Intensity
53.07835	0.7
55.20342	0.7
56.96556	1.1
57.85590	0.7
58.53311	0.7
67.05490	1.1
69.07050	0.8
71.57918	1.1
81.07052	1.3
83.08656	1.0
91.05470	1.6
93.07047	1.6
95.08597	1.1
103.05441	0.8
105.07030	1.3
109.10175	1.1
119.08575	0.8
119.39999	0.7
121.06470	1.1
131.04930	1.3
145.10127	1.7
171.11758	0.9
177.05432	3.7
191.07021	0.9
193.04929	1.1
203.07062	0.8
205.04999	4.3
216.62234	0.8
227.24356	0.8
269.08008	0.8
277.59344	0.7
291.06375	1.0
299.05621	1.2
299.14993	0.8
365.14001	3.8
366.14166	1.9
367.14655	1.0
393.13242	2.6
394.14075	1.8
413.17395	7.9
431.18359	100.0
432.18500	2.6
454.09369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1527
Annotation	Bungeiside C
Peak:m/z	Relative Intensity
53.03951	1.1
55.05511	1.4
56.96568	1.4
57.03438	1.6
57.16731	1.0
67.05516	1.0
69.03429	2.8
69.07057	1.0
70.06588	4.4
71.57375	1.1
72.08151	5.2
73.02906	0.9
81.03421	1.1
81.07052	1.1
84.04482	1.4
84.08142	4.0
85.02940	5.3
86.09705	9.1
91.05450	1.4
95.04995	1.3
95.08592	1.1
97.02888	2.2
98.97571	2.3
105.07024	1.1
107.04910	1.3
109.02864	1.9
110.09702	1.7
120.08057	1.2
124.07534	1.7
127.03938	1.2
131.67810	0.9
137.02359	1.3
137.05974	2.2
138.05473	2.1
147.04407	2.8
158.99506	1.0
165.08911	0.9
167.07133	1.3
177.05531	2.1
183.09924	8.9
227.05501	1.6
237.02827	1.1
247.08310	1.5
299.05698	1.8
326.12723	1.0
327.13983	1.3
345.15213	16.8
355.22311	1.3
369.15112	7.5
387.16260	42.9
413.09769	0.8
413.14172	41.1
431.15256	100.0
431.22284	13.2
432.15671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36077	0.9
56.65769	0.9
56.96553	1.6
57.03430	1.0
69.03415	2.6
69.21307	10.3
70.06590	4.0
71.04966	1.2
71.09061	0.9
72.08160	7.4
73.02905	1.4
81.03407	1.9
81.07049	1.5
84.04510	1.8
84.08144	4.2
85.02895	4.7
86.09248	1.5
86.09702	9.5
91.05439	1.1
95.04952	1.9
97.02869	2.3
97.06525	1.1
98.21460	1.8
98.97589	3.3
102.05597	1.1
105.07024	1.2
119.04979	1.2
120.08100	1.0
126.09166	2.2
127.03936	2.5
131.04936	1.2
137.02327	1.0
137.06050	1.5
143.11832	1.5
147.04420	1.9
166.08740	1.5
167.07034	1.3
170.93277	1.0
177.05424	1.7
183.09894	4.7
201.08498	1.1
224.05991	1.2
229.11771	1.0
237.02716	1.3
247.08398	1.7
260.07086	1.0
261.14481	2.1
299.05551	1.2
327.14078	1.3
335.18423	1.0
345.15225	11.1
355.17642	1.1
359.09610	1.2
369.15167	4.3
387.16177	29.1
413.14175	24.3
414.00589	1.1
431.15189	100.0
431.22342	22.4
432.15622	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1339
Annotation	Ononin
Peak:m/z	Relative Intensity
68.99754	0.1
69.99841	0.3
70.00242	0.2
107.04974	1.4
108.02054	0.3
118.04171	2.9
133.02849	0.3
133.06503	0.4
136.01573	0.5
137.02347	1.0
152.06204	0.1
154.02638	0.7
156.05699	0.3
158.07205	0.1
163.03928	0.3
170.07288	0.4
181.06468	0.7
182.07254	0.4
184.05254	0.1
197.05962	1.5
198.06776	1.0
213.09119	6.0
214.09433	0.2
225.05492	0.6
226.06245	3.2
237.05470	4.6
237.07838	0.3
239.63844	0.1
241.08582	0.2
253.04987	4.4
254.05743	5.9
269.08090	100.0
270.08435	2.0
368.93661	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	431.1343
Annotation	4'-O-Methylpuerarin
Peak:m/z	Relative Intensity
53.03962	0.6
55.01862	1.4
55.05496	0.5
56.96581	0.7
64.22004	0.4
67.05506	0.8
69.03435	1.2
69.07065	1.2
69.23226	5.2
78.27769	0.4
79.05122	0.5
79.05503	5.5
81.03394	0.5
81.07049	2.2
91.05476	1.0
92.05795	0.4
93.07028	0.6
95.04985	0.7
95.08587	0.9
97.02913	1.0
97.06540	3.9
98.21463	0.9
99.25998	0.5
105.07046	1.9
107.04966	5.3
109.06537	3.3
115.05476	0.5
119.04913	0.5
121.06522	0.8
123.00787	1.5
123.11662	0.5
133.02773	0.6
135.04431	10.0
145.06433	0.8
153.05481	14.0
153.06784	1.0
159.04436	0.6
161.06015	0.7
163.07536	0.7
165.07069	1.1
167.08583	0.9
169.64920	0.5
171.04419	1.3
171.08017	0.6
173.05997	1.5
175.03983	0.5
175.07498	0.8
179.07053	0.6
179.08560	0.6
181.10156	0.8
181.40561	0.6
183.08144	1.1
185.05969	0.6
187.03860	0.6
187.07578	0.8
189.05528	3.9
189.09171	0.6
195.08159	0.9
198.06778	0.8
199.03885	1.9
199.07594	0.6
201.05504	1.3
203.07056	2.0
205.08533	0.9
209.06070	0.6
209.09572	1.0
210.06947	0.6
211.07602	3.3
212.08255	0.6
213.05388	1.2
213.09033	1.4
217.05122	1.0
223.07512	1.2
223.11078	1.0
225.09146	1.6
225.95641	0.5
227.03419	5.7
227.06973	1.5
227.10751	0.5
231.06528	1.8
237.05498	0.7
237.09164	1.8
238.06149	0.8
239.03468	1.2
239.07089	3.9
241.04947	1.9
241.08662	1.0
247.07674	0.7
251.07027	2.4
251.10692	2.0
253.08675	0.8
253.12103	0.7
255.02847	0.8
255.06514	2.3
257.04370	0.8
257.08005	0.8
261.09164	1.5
263.10660	1.8
264.07736	1.1
265.08624	3.9
266.05847	1.3
267.06485	1.7
267.09854	0.8
269.04803	0.9
269.08099	3.3
269.11667	1.4
271.09708	1.4
275.07059	0.8
276.07593	0.6
278.05701	2.4
279.06577	1.8
279.10144	4.3
281.08264	0.9
281.11731	1.9
283.06097	1.2
283.09491	1.1
285.07483	0.6
289.08560	0.7
291.10223	3.0
292.07471	0.7
293.08118	8.1
294.08716	1.1
295.05917	1.4
297.07553	9.9
297.11212	6.8
297.14432	0.9
299.05472	0.7
307.09625	3.6
309.11264	8.1
310.08325	0.9
311.09326	3.2
311.12457	0.9
323.12778	1.8
325.06909	1.1
325.10727	22.4
329.10080	1.4
335.09213	2.9
339.08597	1.7
339.12259	17.0
339.16324	1.1
353.10175	3.7
357.09680	9.8
367.08133	2.2
385.12933	5.4
399.10632	3.3
413.12338	100.0
414.12961	2.3
431.13339	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	431.1339
Annotation	4,6,4'-Trihydroxy-7-methylaurone 4-rhamnoside
Peak:m/z	Relative Intensity
53.03954	0.6
55.01875	21.2
55.05500	0.6
57.03441	0.7
61.02933	2.7
67.05490	1.3
69.07054	1.1
69.43539	3.5
69.64278	0.4
71.01350	1.2
71.04987	1.0
79.05485	1.9
81.03406	0.9
81.07047	2.1
83.04963	0.7
85.02917	0.9
86.09747	0.5
91.05470	1.6
93.07052	0.8
95.01316	0.7
95.04958	2.9
95.08583	0.7
97.02890	0.6
97.06537	6.4
98.21474	0.9
99.00804	0.4
99.04452	4.3
103.03962	1.1
105.03404	1.1
105.07011	0.8
107.04956	0.5
107.08590	0.8
109.02871	2.0
109.06524	0.7
111.04445	0.5
116.81999	0.4
117.07020	0.4
119.08599	1.7
121.06541	0.5
123.04464	2.4
125.02371	3.9
127.03883	1.7
129.06993	0.7
133.02809	2.3
135.08112	0.4
137.02348	0.8
137.05972	0.7
145.64189	0.4
147.08073	2.4
149.02336	1.6
151.02725	0.8
151.03897	10.6
151.07603	0.5
161.02357	6.3
161.06000	1.7
163.03915	1.0
165.05431	0.7
167.03383	0.8
169.04942	0.7
175.03886	0.9
175.07518	1.4
179.03404	13.5
185.06009	2.5
188.04721	0.5
197.04488	1.1
201.09027	1.3
203.07037	100.0
204.07417	1.8
209.09557	0.5
211.06017	17.1
211.07997	0.8
225.09067	1.1
229.07068	12.2
237.70689	0.5
243.10104	0.9
255.13934	0.4
269.33472	0.5
272.87314	0.5
297.14865	1.2
299.05502	0.6
325.14331	0.7
341.04416	0.5
341.17493	0.5
367.15512	1.1
389.09012	0.6
413.15903	1.1
431.17239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03192	1.3
57.03445	19.5
57.07077	13.8
59.04983	1.6
61.02902	4.3
63.04494	18.1
65.79050	1.3
68.88344	1.3
69.03433	47.6
69.41235	12.1
70.06584	2.9
71.15611	1.3
72.08142	1.3
73.02923	26.1
81.03410	4.1
84.08149	1.8
85.02426	2.7
85.02914	42.5
86.03260	1.8
86.09709	4.1
87.03986	2.4
87.04472	24.6
90.25252	1.4
90.53996	1.4
95.04982	1.7
97.02904	47.4
98.20807	2.8
99.04449	2.7
109.02885	3.4
115.03936	52.5
119.10703	76.8
121.02861	3.0
121.95173	1.6
127.03941	11.1
133.04962	40.9
135.04414	3.3
137.02342	5.6
145.04970	7.2
150.07642	4.0
161.02437	1.6
163.03908	4.0
165.01868	19.5
177.05484	1.9
183.02864	5.3
211.06058	1.6
237.22035	1.6
259.08096	3.6
277.09039	1.9
283.05939	3.0
287.05450	6.0
295.06021	1.5
295.10364	3.0
297.07700	12.5
299.05533	100.0
300.06125	1.6
311.05502	8.3
311.08936	3.3
313.07025	2.8
316.60901	1.4
321.07584	3.0
323.05490	3.0
324.06125	1.7
325.03452	2.2
325.07098	26.7
329.06607	2.8
337.07138	3.6
339.05011	2.6
339.08624	13.0
349.07047	3.4
353.06622	44.8
353.10767	2.2
365.06644	10.6
367.08163	4.1
377.06686	9.2
383.07724	17.4
395.07687	18.0
413.08716	17.9
430.14252	2.0
430.21384	7.2
431.09918	14.3
431.22406	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	430.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
57.07082	2.5
57.56059	0.4
58.07394	0.5
67.05499	2.9
69.07062	0.7
71.03767	0.4
71.04104	0.5
71.08624	1.9
72.08942	0.7
79.05481	0.7
81.07067	2.3
81.93526	0.4
82.07373	0.4
83.04992	0.6
83.08630	0.4
85.10139	0.8
91.05440	0.6
93.07037	1.7
95.08611	1.4
105.07016	0.6
107.08586	1.1
109.06587	0.5
109.10159	5.1
117.07007	0.5
119.08580	3.6
121.06512	12.3
121.10143	0.9
122.07275	1.7
125.06000	0.7
131.08646	0.5
135.08044	2.0
136.07846	0.7
136.08847	13.2
137.05962	0.4
137.09619	14.3
138.09978	1.0
138.68767	0.3
145.06146	0.5
146.53615	0.3
146.90819	0.4
149.05933	0.7
149.09636	3.2
151.07544	1.0
152.08333	1.0
163.11176	2.0
164.08342	31.0
164.11484	1.2
165.09117	100.0
166.09453	6.7
175.11172	0.6
176.11505	0.6
177.09117	2.8
177.12721	0.9
178.09579	0.7
179.10657	0.5
187.11227	0.8
190.09856	1.2
191.10678	1.6
192.11055	0.9
205.12263	7.0
206.12584	0.8
219.13811	0.8
220.14093	0.4
318.24927	0.4
319.91589	0.5
344.65607	0.4
402.34186	0.5
430.38049	67.5
431.38400	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	430.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87728	1.3
53.03950	8.7
55.01871	11.5
57.03434	5.0
60.04515	1.4
61.02934	6.2
68.99798	4.8
69.03434	36.9
69.03810	1.9
69.28261	10.1
71.05014	7.3
73.02917	11.3
74.43719	1.4
80.05017	2.5
80.06176	1.1
81.03423	36.2
85.02909	100.0
87.00836	38.1
91.03960	3.8
97.02901	41.6
98.21496	2.8
99.04456	14.7
105.01880	33.5
108.04480	9.4
109.02885	30.6
115.03976	2.2
117.01861	5.4
120.87666	1.4
126.05515	4.7
127.03923	70.0
129.01872	4.5
136.70212	1.4
137.05981	3.1
138.34598	1.2
145.04971	44.9
147.02885	5.1
154.97867	1.4
159.02901	30.0
177.04021	1.7
187.22099	1.3
189.03972	2.1
189.09122	4.3
192.23811	1.1
213.03893	2.7
227.10730	1.6
230.06564	2.6
231.05037	15.8
231.10182	2.7
237.66005	1.6
248.07707	5.4
273.11218	2.5
311.28726	1.3
344.80557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26613	2.2
53.03943	8.7
55.01861	8.4
57.03430	4.6
57.53004	2.4
59.70332	2.4
61.02927	5.9
64.34644	2.8
68.99778	4.0
69.03072	3.0
69.03433	37.8
69.53681	13.6
70.06596	3.6
71.04991	5.3
73.02919	6.5
79.05517	3.1
81.03416	29.6
81.07060	3.0
82.04890	3.2
83.02120	2.6
83.04955	2.5
84.08128	3.0
85.02905	100.0
86.09718	2.7
87.00829	41.8
87.04448	2.9
87.78555	2.4
89.06017	7.3
91.03915	2.8
91.05504	2.8
94.93705	2.4
97.02892	37.4
97.99976	2.3
99.04457	12.5
103.03957	2.7
105.01862	45.7
107.04952	52.4
109.02876	34.8
109.10167	2.6
109.99931	2.8
113.06004	3.4
114.13447	2.5
117.01894	5.1
117.07055	3.2
119.08555	4.8
124.03939	8.3
127.03916	76.4
131.04918	20.2
133.08646	4.5
145.04955	44.1
147.02887	4.3
147.08066	5.9
149.05959	27.9
159.02896	23.0
164.07088	3.3
165.09085	4.7
173.06017	9.4
189.03893	6.9
189.09126	15.6
207.10185	4.9
213.03848	4.2
215.07018	3.4
231.04965	15.9
231.10114	8.0
249.06213	3.6
268.15454	3.0
273.11188	5.1
299.05688	3.8
325.69507	2.8
399.61420	2.4
430.21210	42.0
431.22360	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	429.3731
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05507	2.6
57.07079	17.0
62.96225	0.6
67.05514	4.9
69.03431	0.8
69.07077	4.8
70.79352	0.9
70.79667	1.0
71.08290	0.7
71.08641	11.6
75.72342	0.6
79.05497	2.7
81.07067	9.4
83.01317	0.7
83.08633	3.0
85.10187	5.2
85.53029	0.6
90.57839	0.6
91.05482	1.3
93.07056	2.1
95.08614	6.9
97.10165	2.1
105.07035	2.8
107.08614	6.3
109.10161	7.3
111.04484	1.0
117.07012	1.3
119.08566	4.7
119.43863	0.6
121.06484	1.2
121.10149	4.4
122.07285	1.6
123.08100	1.2
123.11662	1.0
126.77547	0.8
131.08557	2.5
133.10107	1.6
135.08063	6.2
135.11707	1.7
136.08798	1.1
137.09621	10.9
139.07544	1.8
145.10101	1.8
147.08029	0.9
149.09619	14.0
149.13242	0.8
151.07535	1.4
151.14745	0.8
159.08061	1.3
159.11714	4.3
161.09575	1.3
163.11189	19.3
164.08324	1.1
165.09126	100.0
166.09496	1.2
173.09651	2.5
173.13254	2.0
175.07567	1.2
175.11209	7.0
176.08363	2.4
177.09126	9.9
177.12732	2.4
179.10741	1.8
186.10481	0.9
187.11172	2.9
189.12794	2.7
190.09840	1.2
191.10703	11.8
191.12346	1.3
200.11812	0.7
201.12726	4.0
203.10660	2.0
204.11465	1.0
205.12257	9.2
215.14352	1.6
219.13832	5.2
229.15884	0.8
233.15402	2.7
247.16858	1.3
261.18448	0.8
275.20074	1.3
289.21716	1.2
303.23254	1.7
317.24783	0.9
331.26398	0.8
345.28082	1.1
359.02777	0.8
371.80161	0.7
373.30957	1.3
401.34088	2.9
411.36234	2.3
429.32239	1.4
429.37289	31.9
430.38089	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	429.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
56.96560	0.7
57.86189	0.4
58.68171	0.4
62.24253	0.4
63.51518	0.4
65.21181	0.4
67.05488	0.6
69.03425	1.6
69.87973	1.8
70.06608	2.3
71.04965	0.4
72.08149	1.5
73.02941	0.6
76.97295	0.4
81.03434	0.9
81.07049	0.9
83.04980	0.4
84.08136	1.4
85.02909	2.1
85.06548	0.4
86.09702	1.9
93.07030	0.4
95.04990	0.7
97.02308	0.5
97.02878	1.9
98.97590	1.7
105.07007	0.5
107.08617	0.5
109.02852	0.7
109.10143	0.8
110.97554	0.4
116.07089	0.5
117.06950	0.4
117.09138	1.0
118.09451	0.4
121.10136	0.6
122.06060	0.4
127.03916	0.8
144.10268	0.5
164.07106	0.7
177.00735	0.6
195.35356	0.4
199.17970	0.4
203.05519	0.4
224.06180	0.6
225.10840	0.4
228.73874	0.4
249.14754	0.9
278.80588	0.4
359.03018	0.5
411.20200	1.1
429.21036	100.0
430.21561	2.7
449.21466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
55.05512	0.6
56.84282	0.5
69.03439	1.3
69.07084	0.5
70.06602	2.3
72.08150	2.5
73.04757	0.6
79.05486	0.6
80.85731	0.5
81.03451	0.9
83.00597	0.4
84.04514	0.9
84.08140	0.9
85.02920	2.0
86.09705	3.6
91.05476	0.7
94.32606	0.4
97.02910	0.8
98.97614	1.8
99.04485	0.6
101.96635	0.5
105.07019	0.7
107.08610	0.5
109.02892	0.7
116.07124	1.4
124.07674	0.7
127.03912	1.1
130.05023	0.8
135.04529	0.5
146.05898	0.5
147.07748	1.4
150.07761	3.1
151.08112	0.6
158.99677	0.7
161.96591	0.5
163.11281	1.1
164.06995	0.5
165.03674	0.5
203.05373	1.2
205.12230	0.5
215.10332	0.5
238.15331	0.6
247.53127	0.5
249.14824	1.3
267.19565	0.5
276.17029	0.4
278.47656	0.5
311.46100	0.5
359.02966	0.6
411.19983	6.8
429.21167	100.0
430.21515	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	429.21
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85717	0.4
54.16176	0.4
55.05505	0.5
57.03413	0.7
59.82988	0.3
60.09401	0.4
69.03430	1.0
69.07054	0.6
70.06584	1.5
71.09172	1.0
72.08147	0.6
84.08150	0.7
85.02912	2.5
85.06552	0.4
91.05466	0.5
93.07064	0.4
97.02898	0.5
98.97601	0.7
105.07036	0.5
107.04935	0.5
109.06496	0.4
121.06559	0.4
121.10198	0.5
122.06062	1.1
123.08038	0.4
124.88931	0.5
127.03935	0.9
143.89610	0.4
145.04985	0.6
145.57310	0.4
150.05490	0.5
163.11211	0.4
180.06633	0.5
181.08551	0.4
249.18553	1.8
262.07538	0.7
268.11285	0.5
284.83719	0.4
385.14819	0.6
411.15280	0.5
429.21054	100.0
430.21359	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	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.6
55.01882	5.7
55.05504	1.8
57.03444	4.5
61.02939	1.7
63.10411	0.7
67.05506	1.7
68.99805	1.7
69.03073	1.5
69.03436	24.8
69.07069	1.2
70.23065	2.9
71.01352	0.9
71.05000	3.3
73.02933	5.3
79.05504	3.5
81.02972	1.6
81.03426	22.8
81.07078	6.3
83.05005	2.2
85.02914	43.8
85.06563	1.0
87.00839	15.6
91.03969	1.6
91.05483	6.1
93.07040	9.4
95.04980	16.0
95.08640	2.0
97.02902	15.4
97.06545	1.0
99.04456	8.5
103.03978	1.5
103.05450	0.9
105.01872	11.6
105.07037	9.0
106.52843	0.9
107.04951	1.1
107.08603	10.3
109.02890	21.3
109.03590	1.7
109.06497	2.6
115.03983	1.4
117.01862	3.1
117.07039	4.1
119.08597	4.4
120.08169	0.9
121.06525	4.2
121.10157	10.5
123.04456	0.8
125.06019	1.3
127.03931	39.0
129.01851	3.1
130.07819	2.8
131.08586	0.9
132.07445	0.8
133.10149	2.3
135.08095	1.2
135.11705	5.9
137.05992	1.6
138.82660	0.8
143.08568	1.1
145.04984	14.1
145.10136	12.3
147.02925	3.1
147.08070	3.5
147.11621	1.0
149.05922	1.8
159.02908	15.3
161.09691	1.3
163.11197	100.0
164.11523	1.6
165.09149	2.2
165.12741	1.3
167.05786	0.9
167.07068	3.5
171.03012	0.9
175.11197	2.2
181.12251	6.0
187.11256	1.3
189.03918	2.5
205.12222	4.8
213.03966	1.6
223.13347	8.5
231.05026	7.1
233.07999	1.0
253.12512	1.0
259.80841	1.0
267.15891	1.0
271.13373	1.0
289.14398	0.9
375.21198	0.9
381.56134	0.8
393.15445	2.2
411.16257	1.6
429.21387	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	429.1546
Annotation	Derrisin
Peak:m/z	Relative Intensity
52.22418	0.9
53.03943	2.0
55.01865	1.6
55.05518	2.2
55.53918	0.9
57.03425	1.4
57.07084	1.0
64.38626	1.0
67.05493	3.0
69.03429	3.1
69.07076	2.3
71.04996	1.6
72.08159	1.4
74.90675	0.8
75.04479	1.2
79.05503	6.1
81.03410	3.4
81.07047	4.1
83.04996	1.1
84.08181	1.0
85.02917	3.4
85.06548	1.5
86.09693	1.3
87.04513	0.9
91.05489	4.2
93.07045	3.2
94.04214	1.1
95.04963	3.4
95.08612	1.6
97.02914	1.1
97.06538	1.4
98.97539	0.9
99.04472	1.5
103.05487	1.8
105.07035	5.2
106.70359	0.9
107.04961	2.3
107.08616	2.5
108.05741	2.1
109.02906	2.7
109.06532	1.7
109.10151	1.2
115.05460	1.3
117.07065	1.7
118.04168	1.5
119.04970	1.9
119.08577	2.1
121.06490	4.6
121.10123	2.3
123.04469	1.2
123.08108	1.5
123.11738	1.4
124.05214	4.3
125.05998	2.2
127.03905	3.3
129.07011	1.2
131.04945	2.3
131.08565	1.6
133.02844	1.2
133.06497	4.3
133.10152	1.6
135.04427	7.6
135.08110	0.9
135.11748	1.6
136.05296	1.2
137.02370	1.7
137.06067	1.5
139.07552	12.0
141.06921	1.0
145.06549	1.8
145.10132	1.7
147.04402	6.9
147.11659	1.4
148.05193	2.5
149.02359	6.8
149.06012	2.6
149.07141	1.2
151.07541	13.0
153.05457	2.5
155.07030	1.6
159.04425	14.5
159.11658	1.0
161.05960	5.7
162.06795	4.4
163.03870	5.9
163.07605	4.0
163.11176	4.1
165.05460	1.1
165.09178	2.8
167.03444	5.8
167.07069	9.8
171.04445	2.8
173.06049	4.7
175.07474	1.0
176.04727	2.2
177.05486	19.5
177.09323	1.0
178.06271	1.9
179.07069	16.2
179.08536	1.5
181.04964	1.8
187.03949	2.4
187.07579	16.4
189.05527	1.1
191.07040	23.7
191.08774	1.4
192.07823	32.5
193.04970	1.1
193.08591	6.3
201.05464	2.1
201.09196	2.1
203.07077	2.4
205.08632	3.1
207.06512	1.5
211.07524	2.0
215.07057	2.0
217.08623	1.5
219.06473	4.8
223.09726	1.6
227.07077	2.2
229.08530	6.0
237.07530	6.9
243.10014	1.1
247.09665	18.0
257.08121	1.6
275.09213	3.2
310.08298	1.4
325.10657	5.9
335.09116	1.1
337.10556	1.1
341.10477	2.0
349.53897	1.1
351.12311	2.3
353.10107	2.2
353.13828	1.2
365.13928	2.9
381.13290	1.9
382.66214	1.2
393.13571	1.4
411.14453	2.9
411.19424	1.2
429.15500	100.0
430.15781	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	429.1547
Annotation	Derrisin
Peak:m/z	Relative Intensity
53.03934	2.3
55.01867	2.3
55.05515	1.2
56.96562	1.6
57.03436	1.2
65.03946	1.2
67.05502	1.3
69.03414	2.3
69.36571	2.3
69.36981	6.2
75.04481	1.1
79.05489	5.3
80.27864	1.0
81.03407	2.2
81.07039	3.1
83.05012	1.3
85.02906	2.5
91.05462	5.0
93.07041	3.3
94.04180	0.9
95.04971	2.6
95.08611	1.6
97.02919	2.0
97.06519	0.9
98.20782	2.0
98.97607	1.6
103.05469	1.0
105.07030	4.2
107.04961	2.9
107.08582	2.4
108.05732	2.2
109.02882	2.8
109.06519	2.6
109.10154	1.1
115.05420	1.6
117.07005	1.7
118.04130	1.2
119.04894	2.2
119.08601	2.5
121.06520	4.7
121.10163	1.4
122.03663	1.5
123.04423	1.1
124.05193	5.1
125.06007	1.2
127.03931	2.2
131.04962	2.3
131.08577	2.3
133.02899	1.1
133.06493	3.3
133.10139	1.5
135.04446	6.6
136.05168	1.8
137.02289	1.4
137.06029	1.4
139.07530	12.3
145.02838	1.0
145.06531	1.7
145.10129	1.5
147.04407	7.3
147.08118	1.3
148.05202	2.3
149.02333	8.9
149.05975	3.4
151.07570	13.4
153.05493	1.1
155.07040	2.2
158.99734	1.0
159.04436	16.0
159.11685	1.2
159.72466	1.1
161.02316	1.3
161.05983	7.6
162.06790	4.3
163.03915	7.1
163.07579	5.7
163.11218	3.2
165.05408	2.7
165.09138	3.6
167.03397	5.0
167.07071	10.4
167.74760	1.0
171.04402	2.0
173.05989	5.3
175.03978	1.7
176.04652	1.3
177.05490	23.8
178.06128	1.5
179.07051	20.6
181.04996	2.3
187.03886	3.4
187.07541	17.7
189.05458	2.3
191.07045	24.4
191.08763	1.3
192.07823	37.7
193.08598	7.8
199.07581	1.8
201.05528	1.1
201.09219	2.3
203.07036	2.6
205.08646	2.6
207.06563	1.3
211.07588	1.3
213.09224	1.0
215.06941	2.2
217.08562	1.7
219.06526	5.7
223.09541	1.5
227.07141	1.8
229.08611	7.6
237.07625	6.8
241.11221	1.8
245.08292	1.0
247.09669	19.2
257.08130	1.9
265.08322	1.0
275.09125	3.7
305.18140	0.9
310.08469	1.6
325.10706	4.8
341.10266	2.2
353.10123	2.4
353.13965	1.1
365.13852	2.4
381.13699	1.2
393.13635	1.6
401.15909	1.7
411.14362	2.7
429.15472	100.0
430.16141	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	429.1548
Annotation	Derrisin
Peak:m/z	Relative Intensity
53.03939	4.3
55.07887	1.8
59.05000	2.9
66.04715	2.5
67.05465	3.0
68.99790	1.7
69.03416	4.1
69.07070	2.6
70.11192	4.8
74.47318	1.5
77.43536	1.5
79.05499	8.6
81.03436	4.1
81.07059	8.6
85.02911	2.2
91.05489	6.9
92.02653	3.0
93.07049	5.5
94.04182	4.5
95.04964	6.0
95.08624	2.3
96.05737	2.1
98.97593	2.2
105.07011	4.2
107.04954	4.5
107.08568	2.7
108.05742	7.4
108.24235	1.7
109.02867	3.1
109.06507	7.8
109.10182	3.0
111.04427	2.1
111.76464	2.0
119.04966	4.0
119.08576	4.7
120.02103	4.3
120.38461	1.9
121.06522	5.2
121.10146	3.5
122.03647	2.8
123.04454	2.0
123.08028	3.0
124.05210	11.3
125.05973	2.8
127.03962	1.9
131.04921	4.6
133.06493	2.5
135.04466	9.3
136.05214	4.0
137.02344	2.8
139.07552	35.8
144.40456	2.0
145.06523	2.2
147.04407	6.2
148.01588	1.8
148.05182	5.7
149.02353	7.1
149.05945	2.6
151.03899	3.6
151.07545	41.4
155.07022	6.1
155.08524	1.9
159.04425	6.8
159.08078	2.4
161.05983	3.1
162.06824	3.7
163.00246	3.7
163.03860	3.5
163.07544	4.6
163.11180	4.2
165.01839	66.3
165.05449	3.3
165.06696	3.2
165.09190	3.2
166.02606	4.9
167.03429	4.0
167.07036	28.8
171.04393	2.7
175.03918	36.8
176.04764	3.5
177.05493	16.7
178.06224	9.6
179.07040	100.0
181.01372	11.7
181.04964	38.6
183.02933	7.6
183.85587	1.6
187.07500	10.9
191.03386	5.3
191.07030	43.2
192.07809	29.3
193.05006	2.7
193.08563	5.6
201.09123	5.0
203.03374	33.1
203.07022	3.5
205.08580	3.3
219.06491	11.1
225.02878	1.9
229.08588	17.6
239.07048	4.6
242.05882	2.1
245.08168	6.3
247.09702	8.8
257.08096	19.2
275.09158	43.3
276.75763	2.2
279.06442	2.1
311.09174	12.3
339.08572	2.7
351.12207	2.6
357.05344	1.6
357.09634	39.9
365.13763	3.4
369.13361	9.2
383.14926	25.6
393.13290	2.4
411.14450	49.7
429.15451	94.7
430.15878	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	429.1549
Annotation	Amorphigenol
Peak:m/z	Relative Intensity
51.02378	0.6
53.03932	1.3
54.30783	0.6
55.01871	1.2
55.05523	0.8
65.03944	0.9
67.05502	1.1
69.03429	2.0
69.47980	3.8
69.48383	1.0
75.04472	1.2
77.03911	0.7
79.05508	4.5
81.03426	1.4
81.07047	1.9
85.02908	1.3
85.06535	1.6
91.05478	3.4
93.03441	0.9
93.07048	1.3
94.04201	1.4
95.04963	2.2
95.08618	0.8
98.97549	0.6
103.05457	1.5
105.03416	1.4
105.07044	2.2
107.04961	4.1
107.08607	0.9
108.05727	2.5
109.02854	1.0
109.06510	1.8
111.08101	0.5
115.05447	1.6
117.07024	1.1
117.96682	0.7
118.04156	1.1
118.25050	0.5
119.04949	2.5
121.02866	1.1
121.06509	4.6
123.04465	0.8
123.08035	0.7
124.05224	5.9
125.06017	1.1
127.03928	1.0
131.04936	2.6
131.08554	1.1
133.02844	2.6
133.06528	4.4
135.04427	8.4
135.08060	1.0
136.05223	3.3
137.02399	0.7
137.05986	1.2
139.07553	15.9
141.06961	0.7
144.05699	0.9
145.06479	2.2
147.04402	7.9
148.05205	3.5
149.02347	9.9
149.05968	3.1
150.06787	1.5
151.07556	19.9
151.08800	1.0
153.05431	1.2
155.07047	2.2
159.04430	18.4
159.08067	1.4
159.92360	0.6
161.02365	1.8
161.05989	6.0
162.03113	0.9
162.06789	5.0
163.03922	7.4
163.07559	5.2
163.11267	1.1
164.04634	1.6
165.05484	2.9
165.06769	1.1
165.09158	2.6
165.12746	0.7
167.03407	5.3
167.07047	11.5
171.04417	4.2
172.05219	0.6
173.05981	5.9
175.03891	1.4
176.04660	1.3
177.05486	24.4
178.06273	4.0
179.03520	1.1
179.07048	38.1
180.07330	0.6
181.04956	2.4
183.08072	0.6
185.05991	1.0
187.03947	3.3
187.07556	19.7
189.05486	1.9
189.09134	0.7
191.07039	27.4
192.07828	41.3
193.08592	6.5
198.06676	1.4
199.07565	2.1
201.05504	4.2
201.09100	2.4
203.03363	0.6
203.07118	0.6
205.08612	3.7
207.06538	1.1
211.07507	1.7
213.09073	1.0
215.07059	2.5
216.81941	0.6
217.08655	1.4
219.06512	8.7
220.07295	2.1
223.09663	2.1
227.07114	1.7
229.08620	9.6
237.07584	5.7
247.09689	21.8
249.18413	1.1
257.08102	1.9
275.09180	5.6
295.05957	0.9
310.08527	1.2
313.10846	0.8
317.57202	0.6
323.09048	1.2
325.10727	5.8
338.07919	0.7
341.10272	1.7
353.10245	8.9
353.14063	0.9
365.13928	2.2
381.13467	1.4
383.14902	1.9
393.13391	3.1
401.15927	1.1
403.02979	0.6
411.14456	13.7
429.15482	100.0
430.15732	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12838	0.7
52.78465	0.6
55.01869	1.6
55.83121	0.6
65.03942	1.3
69.03423	1.5
70.16838	1.2
70.17196	2.1
79.05491	1.9
81.07047	2.3
83.01334	2.7
83.04976	1.4
85.02904	2.0
86.59187	0.6
91.05471	5.0
93.07059	1.4
95.01327	0.7
95.04975	1.4
95.08611	0.7
98.21353	1.1
103.05496	0.7
105.03384	1.0
105.07045	1.7
107.04942	1.8
107.08608	1.2
109.02889	4.1
109.06518	1.4
111.00835	1.1
111.04441	3.7
113.06040	0.8
119.04958	0.7
119.08572	1.5
121.06506	3.0
123.04465	1.0
125.02396	0.8
128.06242	0.9
129.07042	1.5
130.55782	0.7
131.08595	1.5
133.02869	1.3
133.10118	1.7
135.04404	1.2
135.08017	0.7
137.02353	3.4
137.05949	1.0
139.03912	2.7
141.05534	1.0
143.07042	2.9
143.08519	1.0
145.02884	0.8
147.04427	1.3
147.08049	3.1
149.02357	4.8
149.06007	6.4
151.03867	3.8
151.07567	2.4
153.01834	2.4
155.03479	0.6
157.06502	1.0
159.08133	0.7
161.02353	8.7
161.06001	4.4
163.03894	2.2
165.05461	2.3
165.09096	1.0
167.03371	1.8
167.07053	1.3
171.07927	1.0
175.03908	2.6
175.07576	1.5
177.05498	9.6
185.06018	3.6
187.03928	1.1
191.06967	1.3
193.04971	2.7
195.06548	2.7
201.65762	0.6
203.03275	2.4
203.07042	100.0
204.07423	1.4
207.06511	1.0
211.07431	0.7
221.04419	1.3
235.02377	0.8
239.06871	0.9
240.07823	0.6
241.08568	1.4
243.10222	1.1
259.09744	0.9
267.10101	0.7
269.08139	1.6
281.08066	1.5
285.07547	2.8
285.10962	0.8
287.09164	31.1
291.06223	1.1
291.09732	0.7
295.06079	2.5
295.09396	1.0
305.08228	0.8
307.09668	0.9
313.10785	3.4
321.11261	1.5
323.08899	1.0
333.11130	0.8
334.08337	2.5
335.09006	1.6
337.10480	2.5
341.17667	1.0
347.09213	1.2
349.10431	1.3
351.12024	2.2
353.13882	0.9
365.10175	1.6
365.14111	0.8
367.14597	15.1
369.13361	4.3
379.11856	3.3
397.12863	38.1
411.14450	3.5
411.21683	1.5
429.10669	1.2
429.15668	15.5
429.29913	0.8
430.15170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
57.03423	0.9
60.35958	0.9
65.03946	1.2
69.83588	5.8
79.05502	2.3
81.07040	3.2
91.05482	1.6
99.04452	1.4
105.06978	1.5
107.04969	3.7
109.02879	7.4
109.06497	3.1
113.06004	2.4
115.05459	2.4
117.07005	3.2
127.03974	1.2
129.06985	2.8
131.04930	4.5
131.08592	1.6
131.56607	1.0
133.06448	2.0
135.04439	3.3
137.02336	1.4
141.05476	30.4
141.07039	1.3
144.05786	1.1
145.06503	14.3
145.88966	1.2
147.04414	3.5
147.08096	1.0
149.02354	7.8
149.06010	1.6
149.09575	1.8
151.03894	2.3
155.08650	1.5
158.07257	1.5
159.04431	2.9
159.08083	2.3
160.05190	1.3
161.06015	5.4
163.03917	1.8
165.05624	1.5
167.03413	4.0
167.08508	1.1
169.10106	3.2
173.06001	11.9
173.09615	3.1
174.06749	1.4
175.03946	2.5
176.04680	1.5
177.05478	2.1
177.09059	1.6
178.07567	1.3
179.08588	3.9
181.06415	1.5
182.07257	1.2
183.08102	1.9
185.06131	1.3
187.03929	6.9
187.07568	2.8
187.11208	2.0
189.05476	30.1
191.07050	4.3
197.09697	5.2
197.11348	1.0
199.07596	1.4
200.04744	9.2
201.05478	7.3
201.09132	17.3
203.07056	12.0
210.06801	2.5
215.07068	3.2
215.10699	13.9
225.09183	6.7
227.07060	3.7
228.07843	1.7
233.08067	4.6
239.10660	1.9
241.08688	1.4
243.10191	100.0
244.10498	1.6
257.11752	20.0
259.09213	1.2
261.11206	2.2
307.05905	1.1
319.09741	1.4
337.10626	2.6
365.10562	1.3
369.13324	2.3
379.12045	1.2
397.12875	36.9
398.12982	1.3
429.15500	41.7
430.15918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1548
Annotation	12a-Hydroxyamorphigenin
Peak:m/z	Relative Intensity
50.50801	0.3
53.40669	0.4
65.03930	0.5
66.61367	0.3
69.95782	0.8
69.96189	1.3
81.07044	0.6
83.11487	0.4
83.97298	0.3
85.02916	1.8
91.05488	1.5
98.21489	0.7
109.06510	0.7
111.04414	0.8
117.98012	0.3
119.08570	1.0
121.06494	0.9
129.06998	1.0
133.02855	0.6
143.07039	1.6
144.37975	0.4
147.08037	1.7
149.02347	2.0
149.06006	3.9
151.03952	0.5
151.07513	0.4
157.06393	0.5
160.05286	0.5
161.02350	5.0
161.06047	1.8
163.03915	0.7
167.03395	0.5
175.03883	0.9
175.07526	1.2
177.05458	2.3
181.08598	0.8
185.05968	2.4
203.07042	100.0
204.07382	1.7
204.58635	0.4
209.08102	3.3
234.41550	0.4
243.10112	1.5
287.09161	5.6
354.99637	0.3
401.98264	0.4
410.14288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.0
69.03437	2.9
69.07072	2.8
71.57483	1.8
78.76481	1.2
79.05489	2.7
81.07048	4.2
85.02911	4.4
91.05486	4.2
93.07038	2.9
95.08599	3.4
97.02891	2.2
98.97601	2.0
102.04702	1.1
104.21822	1.2
105.07046	5.2
107.04987	2.6
107.08631	2.8
109.02858	1.2
109.06528	2.3
109.10162	3.4
111.04465	1.6
113.02319	2.4
119.08607	3.8
121.02867	1.3
121.10188	2.1
123.08099	1.4
129.07005	1.6
131.08623	2.1
132.05780	1.5
133.02841	1.6
133.10101	2.5
135.04405	1.6
143.07025	2.0
147.08040	2.6
149.02373	3.7
149.05977	2.1
151.03941	1.4
151.07617	2.7
153.05443	2.5
157.06454	1.4
161.02362	7.1
161.06021	2.1
163.03917	2.9
165.05544	1.3
165.09105	2.3
175.03860	1.8
175.07565	1.3
175.26280	1.4
177.05545	3.5
179.07039	3.5
185.06006	2.7
193.05051	1.6
197.09592	1.3
199.07584	1.9
203.07039	75.6
209.04488	4.9
209.08043	1.9
219.57780	1.6
227.06841	1.4
243.10249	2.1
247.07712	1.2
247.10991	1.4
260.08496	1.4
261.09085	1.6
263.07092	2.1
267.06653	1.3
268.07059	1.4
269.08112	3.4
276.07904	1.4
277.08661	4.0
278.09360	3.6
279.06778	1.4
279.10071	1.8
280.07080	1.8
281.08069	2.5
287.09171	1.6
291.06573	2.1
291.10153	1.4
292.11078	1.8
293.08109	9.0
293.11581	2.9
295.06760	2.8
295.09738	22.4
295.12949	1.4
303.06113	2.7
303.09924	2.3
304.07437	4.0
305.07947	3.0
306.08878	1.9
307.09665	7.5
308.10565	2.0
309.07532	5.2
309.11154	3.5
313.07516	2.5
319.09677	1.5
321.11215	27.4
322.08383	1.7
323.09143	4.1
323.12836	7.0
324.09912	5.0
325.10724	1.9
333.07605	1.7
335.12793	2.4
337.10696	9.0
339.12308	100.0
340.12741	3.3
349.10858	2.4
351.08582	1.7
351.12442	1.7
352.13043	2.5
353.13956	1.5
355.11731	1.9
365.10016	2.7
365.13992	3.1
367.11801	36.5
370.14038	3.0
379.12051	2.1
383.14893	2.6
397.12943	3.1
411.14474	22.4
411.41556	1.3
429.15506	54.3
429.26233	4.6
438.47525	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
62.47146	1.1
65.03924	1.8
69.03444	1.1
69.86145	2.8
69.86531	2.2
75.04492	5.6
79.05519	5.7
81.03408	1.8
81.07082	1.5
82.44588	1.1
90.92501	1.2
91.05486	9.8
92.08993	1.1
95.01347	1.0
98.20840	2.0
103.03976	1.0
105.03386	2.0
107.04967	11.9
109.06532	3.7
111.04460	2.7
113.02335	2.1
116.89954	1.1
119.04966	8.9
119.08548	1.5
121.06519	5.8
123.00775	1.3
123.08079	3.5
129.07065	1.8
133.02859	9.6
133.06421	1.7
134.03641	1.7
135.04428	11.5
139.07544	2.0
145.02879	1.4
147.04491	1.3
147.08040	2.2
149.02412	3.0
149.05968	10.7
151.07553	19.6
153.05470	2.8
157.06482	1.0
160.05232	1.3
161.02362	13.2
161.06012	2.8
163.03906	11.0
165.05515	3.1
167.06982	2.4
175.03954	1.4
175.07672	2.0
177.05490	11.4
181.08559	1.2
183.10144	4.2
185.05980	4.2
187.03902	2.4
189.01852	14.4
193.04984	1.7
193.84354	0.9
195.06543	19.3
195.08232	1.4
199.07474	1.2
203.07043	100.0
209.08044	1.9
221.04482	3.8
223.07529	1.2
227.09196	1.1
239.05496	11.3
241.08604	3.8
243.09982	1.2
263.07147	1.0
269.08179	11.3
291.10150	1.7
295.09598	1.4
301.06799	1.0
311.09167	1.2
337.10617	1.8
353.13821	11.7
365.10150	26.1
366.19205	1.3
369.13443	6.1
379.11652	3.8
385.16486	5.6
397.12869	34.9
429.16089	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1548
Annotation	12a-Hydroxyamorphigenin
Peak:m/z	Relative Intensity
61.40378	0.7
64.14626	0.7
68.99792	0.7
70.18406	2.6
75.04501	5.3
77.03893	0.7
79.05497	5.3
81.03415	1.5
81.07052	1.6
85.02923	0.7
87.81970	0.7
91.05481	8.5
93.07030	1.0
95.01308	1.6
95.04958	1.6
101.06015	2.0
105.03423	1.7
107.04955	11.8
109.06493	3.9
111.04482	0.9
113.02377	1.9
119.04965	5.9
121.02849	1.2
121.06508	5.1
123.00822	0.7
123.08071	3.1
125.05996	1.0
129.06992	1.2
131.08487	0.8
133.02852	9.6
135.04414	10.5
139.07513	1.3
144.05661	0.9
147.08040	2.3
149.02307	2.6
149.05972	8.5
149.98639	0.7
151.07544	20.8
153.05473	2.6
161.02342	14.4
161.05984	3.0
163.03920	10.3
165.05438	2.8
167.03375	0.9
167.07071	2.8
175.03918	1.1
175.07567	2.0
177.05466	11.1
183.10182	3.0
185.06029	3.5
187.03903	1.7
189.01839	19.1
193.04930	3.0
195.06546	17.4
195.08218	1.7
199.07559	0.7
203.07036	100.0
204.07396	1.7
209.08121	2.0
213.09160	0.8
221.04466	4.6
223.07416	0.9
227.09216	1.4
239.05495	12.4
241.08574	2.5
243.10100	1.7
269.08112	9.0
283.26196	0.8
293.11813	1.1
295.09540	1.1
309.11179	1.5
311.09244	1.5
311.12567	0.7
321.11493	0.9
323.09042	0.8
323.12674	0.9
337.10776	1.1
353.13882	10.1
365.10196	30.3
366.10605	1.0
369.13278	5.6
379.11777	3.0
385.16534	3.9
397.12836	34.1
429.15433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64906	0.5
53.03942	0.8
55.01871	0.6
61.86254	0.4
65.03936	1.0
67.05497	0.9
68.99785	0.7
69.03458	0.5
70.81674	0.8
75.04490	6.7
77.03937	0.8
79.05500	5.3
81.03418	1.8
81.07049	1.7
85.02868	0.6
89.02426	0.4
91.05482	8.4
93.07035	0.5
95.01321	0.9
95.04975	1.3
101.06000	2.0
101.37532	0.5
103.03961	0.5
103.05531	0.6
105.03411	2.5
105.06995	0.6
107.04964	10.9
109.02847	1.3
109.06528	4.6
111.04440	1.8
113.02367	2.7
119.04939	6.8
119.08521	1.0
121.02858	1.8
121.06531	6.1
123.00783	1.1
123.08067	3.3
123.15596	0.5
129.07002	1.9
133.02858	8.0
135.04433	11.6
137.05968	1.3
139.07501	1.3
145.02818	1.3
147.04414	0.7
147.08014	2.9
149.02351	3.0
149.05977	9.5
151.03958	0.9
151.07545	18.1
153.05493	2.4
153.09135	0.5
157.06380	0.7
159.64221	0.5
160.05232	1.0
161.02347	13.9
161.05974	3.6
163.03899	10.6
165.05510	3.5
167.03447	1.0
167.06990	2.7
171.08141	0.7
175.03947	1.7
175.07596	1.1
177.05469	11.9
179.08598	0.6
181.08661	0.7
182.61890	0.5
183.10179	3.3
185.05983	4.0
187.03941	1.4
188.04620	0.6
189.01834	15.9
193.04973	2.3
195.06537	18.2
195.08058	1.0
198.06750	0.6
201.08826	0.5
203.03239	2.1
203.07036	100.0
204.07320	1.3
209.08089	1.6
210.13887	0.5
213.09160	1.1
221.04475	3.4
223.07494	1.0
227.09145	1.0
239.05502	11.4
241.08606	3.5
243.10190	1.6
265.08533	0.7
269.08099	9.9
277.08505	0.6
279.10254	0.6
281.08188	0.5
281.11853	0.5
291.10400	0.6
293.11618	0.9
295.09814	0.6
309.11209	1.2
311.09134	1.4
311.12698	0.9
319.09592	0.9
321.11243	0.9
323.09082	0.5
327.12369	0.7
337.10617	1.3
347.09152	0.8
353.13797	8.8
365.10202	29.6
366.10379	0.7
369.13342	5.4
379.11813	3.2
385.16553	3.2
397.12842	41.3
429.15634	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	429.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76205	0.9
57.81322	0.9
70.81992	1.2
70.82325	2.1
75.04488	6.2
75.55206	1.0
79.05489	4.2
81.03438	1.4
81.07037	1.2
82.47935	0.9
85.02931	1.5
89.03947	0.9
91.05470	7.0
93.04043	1.0
95.01345	1.2
101.06036	1.7
105.03435	1.5
105.07032	1.1
107.04965	9.9
109.06529	2.9
111.04446	2.3
113.02388	2.5
119.04958	5.7
121.06506	5.4
123.00774	1.1
123.08071	3.1
133.02867	9.2
133.06534	1.3
135.04404	10.1
137.06058	1.5
138.56816	1.0
138.85985	0.9
139.07529	1.2
147.04388	1.4
147.08044	2.5
149.02336	1.7
149.05992	8.2
151.07561	18.6
153.05547	1.9
161.02356	12.1
161.06000	3.0
163.03931	11.2
165.05467	2.6
167.07071	2.6
175.03952	1.8
175.07445	1.1
177.05455	10.3
183.10204	3.9
185.05994	2.5
187.03925	1.3
189.01826	19.3
193.04979	2.0
195.06552	22.4
203.03401	2.8
203.07036	100.0
204.07462	1.4
209.08185	1.2
221.04439	3.8
227.09155	1.7
239.05495	13.9
241.08635	3.5
243.10118	2.1
269.08112	11.5
281.11877	1.0
311.09106	1.2
311.12759	1.7
323.12384	1.0
327.12399	1.3
337.11093	1.0
343.45691	1.0
353.13901	9.1
365.10202	30.1
369.13382	5.9
379.11688	3.6
385.16293	3.2
390.30887	1.0
397.12854	40.3
398.13364	1.1
429.15170	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	429.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01666	1.3
55.01877	13.9
57.85663	0.9
60.68499	1.0
67.05513	1.9
69.03432	1.4
69.07052	1.8
70.13469	1.9
70.13857	2.8
79.05495	2.5
81.03413	1.7
81.06577	1.1
81.07040	4.3
87.03996	1.3
87.04479	20.0
91.05481	5.6
93.07019	3.0
95.08601	1.7
98.21397	1.4
105.03379	4.2
105.07005	1.9
107.04970	3.3
107.08589	2.0
109.06499	4.4
113.00017	1.9
114.16743	1.2
115.03938	64.3
117.07005	1.4
119.05008	1.5
119.08569	3.8
121.06493	3.8
129.07048	2.5
131.08566	1.4
131.91754	1.0
133.02870	13.8
135.00803	1.9
135.04419	2.9
137.05957	2.6
145.02847	3.4
147.04428	1.7
147.08038	5.0
149.02353	3.4
149.05962	2.9
151.03929	7.3
151.07513	3.7
161.02341	13.2
161.05995	10.1
162.03099	3.2
163.04015	3.1
165.05508	14.5
167.03314	1.5
169.02550	1.4
175.03894	2.0
175.07545	4.0
177.05475	9.1
179.03401	35.2
179.06940	1.2
184.87469	1.1
185.05969	4.9
189.01877	10.5
193.04987	5.9
193.06522	1.5
193.12204	1.6
195.06496	2.9
201.09174	1.2
202.42842	1.1
203.07045	100.0
204.07381	1.9
211.06029	4.7
213.05351	1.6
221.04433	16.3
223.03893	1.2
237.09299	1.6
239.05368	5.3
240.04172	2.1
241.05087	1.2
241.08354	1.7
243.10095	1.7
247.07733	2.3
257.07935	1.4
263.10742	1.4
265.08597	4.0
269.08148	1.7
283.09683	32.0
291.06427	3.6
291.09933	1.6
295.09653	3.8
301.08450	1.3
304.07254	1.3
305.08121	1.7
306.08932	2.5
309.11127	1.3
319.09604	4.9
321.11194	1.4
323.09128	6.0
337.10709	15.1
351.12173	1.8
365.10254	15.6
369.13336	5.4
379.11954	6.8
397.12866	13.4
429.16656	14.4
429.22336	1.9
429.29575	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	429.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
69.82255	5.9
69.82669	2.3
75.04465	4.0
79.05492	8.3
81.03426	1.3
81.07056	2.2
91.05476	7.4
93.07050	1.8
95.01312	2.1
101.39125	1.2
105.03407	1.7
107.04977	12.5
109.02879	1.5
109.06510	4.7
113.02338	1.4
117.03426	1.2
118.64610	1.2
119.04971	6.4
121.02874	2.5
121.06535	7.1
123.08099	2.7
129.06990	1.7
133.02866	14.4
134.03488	1.2
135.04428	11.4
147.04433	1.7
147.08051	2.9
149.02266	2.7
149.05969	7.8
151.04016	1.5
151.07552	16.1
161.02361	16.3
161.05962	4.2
163.03932	11.5
165.05510	3.2
167.03377	1.3
167.07047	3.6
175.03893	2.4
175.07555	2.0
177.05464	9.7
183.10173	1.9
185.05984	3.7
187.03831	1.3
189.01830	19.2
193.05029	1.6
195.06529	14.5
203.07042	100.0
221.04439	4.3
239.05482	14.2
241.08588	3.3
242.75307	1.2
269.08145	9.2
271.19415	1.1
293.11884	1.1
306.35303	1.1
309.11047	1.6
319.09793	1.6
337.10971	1.7
353.13928	8.8
365.10193	31.6
369.13150	6.3
379.11847	3.0
385.16467	3.4
397.12845	40.4
429.15338	3.1
431.67407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96376	2.9
55.01877	6.1
55.05523	2.4
67.05502	6.6
79.05488	6.1
80.92110	2.2
81.03416	5.0
81.07035	7.2
85.02901	3.6
87.04458	5.2
90.93084	2.1
91.05466	8.3
93.07028	3.8
95.04957	3.2
95.08616	5.5
97.02925	2.7
105.03387	3.1
105.07027	4.8
107.04966	6.7
107.08583	2.9
109.06497	6.0
113.00021	20.6
115.03931	19.0
117.07053	2.7
119.04955	3.9
119.08584	6.8
121.06502	4.2
121.10198	6.4
123.08086	2.5
123.11713	2.9
125.02335	3.0
131.08585	3.6
133.02847	20.6
135.04414	6.8
137.05980	3.5
147.04428	3.7
147.08015	4.5
149.02325	5.1
149.05994	3.9
151.03856	3.7
151.07549	9.0
161.02348	19.2
161.05998	8.3
163.03908	6.4
165.05458	10.5
169.02634	17.8
177.05475	7.4
179.03432	12.5
179.62248	2.9
185.06030	5.0
187.04044	3.1
189.00215	3.7
189.01848	50.2
193.04991	6.7
195.06560	4.0
203.03329	4.3
203.07040	100.0
210.01662	2.8
221.04449	9.7
229.04002	3.5
229.08640	3.5
235.07500	2.6
239.05511	16.4
243.10133	3.0
247.07629	3.0
261.22049	4.6
269.08127	4.3
277.08588	2.3
283.09653	17.2
291.15680	2.7
299.46988	2.3
319.09668	6.1
322.12512	2.8
323.09116	5.3
335.13272	2.5
337.10770	10.1
353.13718	3.7
356.85071	2.6
365.10129	24.0
383.15942	2.9
397.12769	23.1
429.15421	10.0
429.20615	2.7
429.29327	11.4
433.84436	3.1
438.64188	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	429.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
56.96557	1.1
65.03943	1.1
67.05495	1.6
68.99780	1.0
69.03439	1.0
69.07059	1.8
69.84157	1.8
69.84572	2.5
73.04745	0.9
75.04478	5.6
77.03969	0.9
79.05501	7.0
81.03412	1.7
81.07050	3.7
85.02915	1.0
91.05475	9.8
93.03402	0.9
93.07053	1.9
95.01318	2.3
95.04974	1.7
95.08601	1.1
98.21468	1.7
101.06010	2.1
105.03391	3.4
105.07029	2.0
107.04958	14.7
107.08579	1.8
109.02879	2.0
109.06519	4.5
111.04424	2.2
113.02354	2.5
117.07014	1.2
119.04956	7.3
119.08589	2.9
121.02824	2.0
121.06528	8.1
121.10117	1.0
123.00772	1.4
123.08041	2.7
125.05999	1.4
128.06190	1.1
129.06990	3.2
131.08568	1.4
133.02849	12.3
135.04425	12.7
137.05981	1.1
139.07526	1.3
147.04352	1.8
147.08070	4.4
149.02342	4.3
149.05988	10.8
151.03894	3.1
151.07535	17.5
153.05443	1.6
159.04492	0.9
161.02333	18.4
161.05971	4.0
163.03914	11.2
165.05473	3.4
165.06828	1.0
166.09398	1.2
167.03394	2.5
167.07039	3.5
169.10045	1.2
173.05940	1.1
175.03893	2.0
175.07558	3.3
177.05484	10.3
183.10199	2.0
185.05963	4.5
187.03894	1.6
189.00220	1.3
189.01852	18.9
193.04971	4.5
195.06560	15.4
195.08197	2.0
199.07539	1.2
203.07033	100.0
204.07460	1.9
209.08003	1.5
219.06393	1.1
221.04312	4.6
223.07542	1.3
227.09079	1.6
239.05492	14.6
241.08640	3.1
243.10167	3.7
257.07904	1.3
269.08109	8.3
279.06039	0.9
281.11752	1.1
287.09122	1.3
291.10211	1.0
311.08975	1.7
317.30908	1.0
337.10696	1.1
347.08884	0.9
353.13809	8.1
365.10223	30.8
366.10510	1.2
369.13461	5.4
379.11734	3.4
385.16373	3.6
397.12836	46.4
429.15961	6.3
429.29739	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	429.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
53.67925	1.0
61.05306	1.0
65.03930	1.1
67.05500	1.9
68.99786	1.1
71.25244	1.4
71.25591	1.3
75.04481	6.7
77.51145	1.2
79.05500	7.8
81.03415	2.0
81.07065	2.8
85.02919	2.2
91.05470	10.9
93.07037	2.8
95.04972	2.2
95.08616	1.6
97.06507	1.0
101.06052	1.1
105.03387	3.6
105.07036	2.0
105.27072	1.2
107.04965	11.1
109.02892	1.2
109.06518	3.6
111.04486	1.4
113.02370	3.0
117.07056	1.3
119.04957	7.6
119.08554	2.6
121.02866	2.4
121.06509	7.1
121.76880	1.1
123.00750	2.0
123.08047	2.7
129.06993	1.9
133.02859	13.5
133.06520	1.1
133.10156	2.1
135.04422	13.3
137.05971	1.7
139.07570	1.0
145.02785	1.2
147.04405	1.2
147.08057	3.3
149.02368	4.6
149.05992	10.2
151.03888	1.8
151.07532	18.3
153.05495	1.7
157.06535	1.5
161.01132	1.5
161.02351	18.3
161.05905	2.7
163.03938	12.5
165.05498	3.9
167.03406	1.8
167.07028	3.0
175.03908	2.9
175.07536	2.4
177.05467	13.6
182.05376	1.3
183.10158	2.6
185.05971	4.5
187.03822	1.2
189.01836	19.9
193.04961	7.6
195.06538	16.3
199.07574	2.4
203.07034	100.0
204.07362	2.3
205.04904	1.5
205.07657	1.4
221.04483	4.5
223.07562	1.1
227.09084	1.4
239.05548	14.8
241.08513	1.7
243.10165	5.0
269.08145	10.3
281.11722	1.6
287.09052	1.2
295.09833	1.2
311.09103	2.0
313.10587	2.1
315.19836	1.1
319.09341	1.1
337.10867	1.4
353.13724	7.0
365.10233	31.0
365.14667	2.1
369.13351	5.4
379.11783	3.2
385.16360	3.0
397.12857	44.7
411.15576	3.6
429.15659	5.9
429.29791	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	429.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63288	0.9
53.03938	1.6
55.05513	2.3
59.45424	0.9
65.03947	1.7
67.05519	6.0
69.03433	1.3
69.07054	2.6
69.22366	4.8
69.22790	4.6
74.06115	1.1
79.05492	5.0
79.43853	0.8
81.03442	1.8
81.07068	6.2
83.04977	2.8
83.51435	0.9
85.02922	0.9
91.05476	5.8
93.03417	3.5
93.07037	4.1
94.04176	1.4
95.04971	1.6
95.08615	3.1
96.79317	0.9
97.06516	1.0
103.05449	0.9
105.03396	2.9
105.07027	3.0
107.04963	4.4
107.08588	4.1
109.06506	6.1
109.10159	2.1
111.04449	2.3
111.41787	1.1
113.00024	23.7
115.05482	1.1
116.65459	0.9
117.07012	1.6
119.04996	1.7
119.08646	2.4
121.02828	0.9
121.06525	0.9
121.10158	2.3
121.54265	1.0
123.04482	1.5
123.08064	1.3
123.11703	1.2
125.05986	1.4
129.07027	1.7
131.08549	1.9
133.02873	2.3
133.06462	1.1
133.10121	1.5
135.04436	3.6
135.11694	1.7
137.06018	4.7
139.03915	2.3
145.06473	1.5
145.10112	1.5
147.04449	1.1
147.08063	2.5
149.02347	3.3
149.06061	1.6
149.13243	1.3
151.03905	2.3
151.07530	4.6
153.05460	1.3
157.06532	2.3
159.04436	1.3
159.11676	1.1
160.05142	1.1
161.02333	7.0
161.06026	2.9
163.03937	4.2
163.14783	1.5
165.05489	4.0
166.06331	1.4
167.03439	5.4
167.07098	1.1
169.02618	20.6
169.10175	1.1
173.06017	2.6
173.13205	1.4
175.03947	1.1
175.07573	1.8
177.05498	2.4
179.07095	1.6
179.08542	1.2
181.04939	2.5
181.06453	1.2
181.10028	0.9
185.06003	3.0
187.03972	1.5
189.01892	4.1
189.05424	2.9
193.05023	1.2
195.02896	10.3
195.06548	2.9
199.11145	1.6
203.07051	100.0
204.07445	1.3
215.10840	1.2
225.09076	2.2
227.05206	1.0
227.07158	1.1
227.10707	6.5
229.08611	1.7
239.05563	2.6
241.08643	1.6
243.10182	59.8
243.21046	2.0
244.10596	1.7
256.26315	1.4
261.22165	5.5
269.08066	2.6
321.11417	1.1
337.10822	1.2
352.67020	1.1
365.10202	6.9
367.11520	1.5
369.13004	1.1
385.12766	5.5
385.17072	1.2
397.12839	10.2
411.14410	1.8
428.37396	1.6
429.16269	6.6
429.30740	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80665	2.8
53.03932	7.6
55.01866	7.4
56.96567	5.6
57.03445	15.1
57.07077	14.2
58.98462	2.4
61.02926	6.6
61.05169	2.6
67.05481	3.0
68.99783	3.8
69.03440	41.5
70.06585	10.4
71.04982	8.3
71.55737	4.4
72.08121	2.9
73.02908	7.6
79.98895	2.8
81.03423	33.0
84.04497	10.9
84.60929	2.2
85.02909	100.0
85.06534	11.9
86.09664	2.8
87.00838	44.3
87.04461	2.8
91.05459	4.1
95.04977	6.9
97.02904	35.1
98.97575	9.5
99.04488	15.1
101.05997	5.7
103.05482	2.7
103.07589	86.9
105.01873	46.1
109.02885	36.6
113.05993	6.4
117.01833	2.9
117.09077	2.9
120.08140	14.2
127.03926	76.3
127.07562	16.7
131.04919	3.6
131.06970	2.6
145.04980	24.3
145.08583	12.0
152.07059	10.1
154.13448	2.7
159.02884	13.7
163.09680	39.1
173.08096	4.8
180.03787	3.7
189.03839	2.7
193.05470	2.9
195.03091	3.4
195.21455	2.3
218.35719	2.7
223.06433	5.6
224.06834	7.7
229.10638	3.5
231.05020	22.9
253.10733	4.2
261.49823	2.6
266.07907	4.4
284.08789	6.4
295.06012	6.5
296.06375	8.9
322.07846	6.6
331.13907	4.5
350.07410	9.2
357.11902	9.5
368.11038	12.4
392.08353	4.2
410.09467	5.3
428.13364	45.9
428.19461	9.6
429.20834	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	428.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01875	3.7
55.05519	5.3
57.03432	2.1
57.07077	10.3
57.26047	0.7
61.02913	2.2
68.99796	1.0
69.03072	1.0
69.03436	12.4
69.41028	2.4
69.41454	2.8
71.04987	1.8
73.02915	3.0
81.03426	11.4
83.08625	2.6
85.02913	31.1
87.00833	12.8
87.04507	0.7
89.06039	27.5
91.03941	1.3
95.04943	0.8
97.02909	11.5
99.04463	4.6
101.09666	10.6
105.01865	9.0
107.07076	29.6
109.02887	11.1
117.01834	1.9
127.03936	19.5
129.01816	1.4
145.04980	8.5
145.12210	0.8
159.02892	6.6
163.13307	100.0
164.13625	1.5
213.04007	2.1
226.91963	0.6
231.05165	3.4
231.07117	0.7
304.28677	0.8
307.01105	0.7
407.93768	0.7
428.14935	1.3
429.21332	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	427.3939
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05506	19.2
57.07092	8.1
67.05507	34.4
69.07074	52.4
70.67683	3.2
71.57946	4.5
79.05517	17.3
81.07059	86.5
82.57269	3.6
83.08615	17.3
91.05502	9.4
93.07043	41.1
95.08614	100.0
97.10166	12.5
99.08125	3.9
104.82843	3.8
105.07039	13.3
107.08592	45.5
109.10167	61.0
110.07426	3.4
111.08073	5.6
111.11742	18.9
119.08594	20.9
121.10149	34.0
123.11721	38.6
133.10165	13.4
134.44359	3.8
135.11690	27.9
137.13287	18.5
145.10112	6.0
147.11687	13.8
149.13263	22.9
151.14871	6.3
161.13293	11.1
163.14828	21.6
172.12326	3.3
175.14810	6.9
177.16437	9.8
179.17992	4.4
189.09120	4.1
189.16402	3.9
191.17995	8.3
195.17558	4.2
200.65080	3.5
203.17888	4.6
205.19446	6.6
215.17923	4.3
217.19492	10.2
233.22768	5.8
259.24210	4.6
409.38330	19.4
427.39438	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2485
Annotation	Dehydrogravicycle
Peak:m/z	Relative Intensity
53.03952	1.4
55.05506	2.5
59.32598	1.6
67.05498	3.4
69.03433	1.3
69.07066	9.6
71.56107	2.1
79.05508	4.5
81.07073	7.3
91.05499	11.1
93.07031	7.1
95.04984	1.9
95.08601	5.8
103.05431	1.5
103.23444	1.2
105.07040	38.8
105.07761	2.1
107.04990	1.7
107.08592	5.8
109.06479	1.7
109.10151	6.7
117.07026	4.1
119.08585	59.7
121.06501	4.2
121.10162	4.9
123.11723	1.7
131.08565	1.6
133.06461	1.4
133.10135	7.7
135.11652	2.8
136.05368	1.5
145.10161	1.7
147.04446	2.0
147.11661	6.1
149.02328	2.5
149.05960	2.3
149.13229	2.1
151.03896	8.7
151.07535	4.4
161.02460	2.1
161.06000	3.8
161.13240	3.4
164.04732	5.8
165.05466	2.2
167.03401	1.8
170.42764	1.5
175.03976	1.5
177.05482	16.3
179.07018	5.5
181.04974	2.1
187.07491	2.0
189.05473	2.0
191.03394	1.9
191.07034	5.6
192.04214	4.2
192.07777	1.9
193.04961	4.1
195.08047	1.5
203.07062	11.4
203.17934	7.7
205.04980	14.4
207.06541	100.0
208.07216	5.1
211.07573	1.7
213.09242	1.5
219.06529	5.7
243.06641	2.3
253.08458	1.7
257.07953	2.1
269.08109	1.9
277.08224	1.7
287.54083	1.7
321.11069	2.7
331.09555	1.6
335.09265	6.7
349.10995	3.4
360.85529	1.8
363.08517	2.4
365.13855	70.4
366.14136	2.0
367.11780	3.2
381.13586	2.0
395.11267	5.3
409.12833	3.4
409.23325	7.8
412.14813	4.3
427.13211	5.4
427.16837	7.8
427.28293	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	427.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.1
57.07084	0.8
67.05513	0.8
69.06716	0.5
69.07072	8.2
70.18395	1.2
70.44080	0.3
71.04970	0.3
71.99036	0.3
73.06567	2.0
79.05484	0.6
81.07048	1.5
82.72968	0.2
83.04990	0.9
84.08141	0.4
85.02897	0.3
86.09708	100.0
87.10044	0.5
91.05486	0.9
92.70213	0.3
93.07053	0.8
95.04972	0.4
95.08629	0.7
105.07052	1.3
107.04944	0.6
107.08596	0.8
109.06503	0.4
109.10155	0.6
112.07628	1.0
118.08717	0.3
119.08595	1.1
121.06516	0.6
121.10144	0.7
130.08635	0.3
131.08640	0.3
133.02878	0.4
133.10162	0.5
135.08066	0.3
135.11714	0.4
137.06027	0.4
145.10136	0.7
147.04353	0.3
147.11687	0.9
149.02356	0.4
151.07561	1.6
161.02336	0.6
161.05991	0.4
165.01930	0.4
166.02280	0.3
168.13843	1.1
177.05486	0.9
179.07036	1.1
181.04970	0.5
183.03078	0.3
185.05925	0.5
186.14897	69.4
187.07596	0.5
187.15204	1.1
191.03258	0.3
191.07048	1.1
192.07893	0.8
193.04922	0.7
203.07034	2.1
205.04955	1.2
207.06558	2.0
208.07268	0.8
214.14384	27.6
215.14755	0.5
219.06581	0.3
229.08415	0.4
239.06897	0.3
245.08141	0.6
257.07980	0.7
269.07910	0.6
299.23328	0.8
303.07306	0.4
307.09775	0.4
314.19629	9.3
315.19781	0.3
321.11359	0.4
327.22885	0.4
335.09149	1.7
347.12756	0.5
349.10721	0.8
350.11258	0.6
356.07462	0.4
365.13849	13.1
366.14096	0.4
381.13318	0.4
383.14731	0.4
395.11053	0.4
399.28577	5.1
409.12579	0.6
409.23404	1.2
427.13861	1.1
427.28067	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2119
Annotation	Andibenin B
Peak:m/z	Relative Intensity
65.03939	3.7
69.92934	0.5
70.67506	1.3
71.04993	0.7
77.57825	0.5
79.05472	0.9
81.07062	2.1
84.08175	0.7
91.05486	5.2
93.03388	2.6
93.07005	0.9
95.01345	0.5
95.04984	0.7
95.08656	0.7
107.04960	4.0
107.08578	0.9
109.10162	1.6
116.07849	0.5
119.04958	5.1
121.02882	3.3
121.06503	2.1
123.11736	0.9
131.01282	4.3
135.11671	1.3
136.05249	0.5
147.04419	32.9
148.05078	0.6
149.02351	100.0
150.02672	0.9
151.07532	3.2
152.47563	0.5
153.12762	3.1
163.03922	1.1
165.09102	1.0
167.03410	77.4
168.03802	0.6
175.03836	1.1
177.05507	0.8
179.07028	7.4
189.05423	0.8
191.07108	1.3
192.07759	0.7
203.07085	1.2
219.06305	0.6
227.10696	0.6
233.05640	0.6
241.08755	0.6
253.08664	2.5
269.08102	44.8
270.08347	1.1
271.13211	0.8
289.14359	12.3
307.15295	1.1
343.62018	0.6
385.12756	1.0
391.18896	2.2
395.11017	0.6
409.20114	20.8
410.20450	0.7
427.13864	3.0
427.20331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2118
Annotation	ardeemin
Peak:m/z	Relative Intensity
50.50795	0.4
51.90017	0.8
55.01871	2.0
68.99775	0.7
69.03429	1.3
69.90442	0.8
69.90802	2.5
71.05016	0.4
79.01842	0.9
79.05474	0.7
81.03423	0.7
91.05491	1.1
93.07005	0.5
99.00816	0.7
105.03403	1.7
106.93713	0.6
108.40276	0.4
109.06516	1.1
109.10186	0.6
117.26492	0.4
123.00788	2.0
127.11143	1.0
131.04912	0.9
133.02859	0.7
135.11722	0.9
137.02324	1.3
137.05959	1.1
141.01831	5.3
153.12770	1.5
161.02383	0.7
161.06017	0.6
164.21805	0.4
165.01842	100.0
166.02229	0.7
183.02901	28.7
184.32805	0.5
193.04955	2.5
203.07039	7.2
225.07524	1.2
227.07077	1.8
243.10193	1.4
257.08023	0.5
269.08096	93.1
270.08469	2.2
283.60312	0.5
395.11145	0.8
409.19678	2.4
427.13428	0.7
436.27841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.6
60.84307	0.5
69.03426	1.0
71.08292	0.9
85.02909	1.6
94.04044	1.6
95.05018	1.0
98.97559	1.3
123.06680	0.9
127.03967	0.7
130.99298	0.5
150.07759	100.0
151.08073	0.9
163.07553	0.6
179.03432	1.6
203.05243	2.5
205.05336	0.7
218.13937	1.5
219.14125	0.8
282.11935	0.9
283.08444	0.8
295.11508	19.2
427.19492	79.8
428.19791	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	427.1581
Annotation	Bruceine H
Peak:m/z	Relative Intensity
53.03926	1.0
56.96554	3.2
58.81952	0.8
66.02179	0.8
69.03412	3.7
69.50736	6.1
70.06570	1.4
71.04965	1.4
73.02903	1.1
76.16852	0.8
79.05482	1.3
81.03420	2.7
81.07053	0.8
85.02919	6.4
87.00826	2.1
92.50011	0.8
93.06995	1.3
95.08593	1.5
97.02873	2.8
98.97586	6.4
99.04417	1.4
103.07548	1.4
105.01845	1.4
105.07050	0.8
107.08556	0.9
109.02879	2.8
116.98605	2.6
120.08080	1.3
121.02855	0.9
123.04398	3.9
124.07581	1.6
127.03941	4.4
132.57254	0.9
133.02811	3.6
136.07539	1.0
145.04967	1.3
147.04369	1.4
151.03838	1.1
158.11713	0.8
158.99632	3.6
159.02943	1.1
161.07892	2.5
162.09094	1.0
176.08372	1.1
177.00650	1.5
179.03400	48.1
180.03732	1.0
180.07687	1.0
181.08615	1.0
203.03508	1.5
203.05264	8.6
205.05345	1.8
218.13898	5.5
219.14131	3.4
219.48015	0.9
223.06363	4.3
247.06464	1.5
247.14281	2.1
253.07379	1.1
265.07526	6.7
265.15442	2.4
283.08603	7.4
295.05933	2.1
307.08594	5.0
325.06650	1.1
349.06827	1.2
351.08603	1.0
367.10950	4.3
401.14789	1.1
409.08887	1.3
427.15506	100.0
428.15720	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	427.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01873	2.9
55.05511	3.8
56.96288	1.6
56.96569	31.0
57.03437	6.7
59.05012	1.4
59.43855	0.9
60.95848	1.1
61.02930	6.2
63.79467	0.9
63.92715	0.9
67.05526	1.4
69.03431	16.0
70.06596	2.1
70.98142	1.0
71.04999	3.4
71.58078	1.4
71.95251	1.7
72.08158	5.4
73.02913	6.4
73.06550	3.0
74.93176	2.8
75.04450	1.0
76.92876	1.4
81.03426	6.5
83.04971	2.3
84.08141	3.1
84.96035	4.5
85.02910	35.4
85.06536	1.5
87.04472	4.5
90.01585	1.0
91.03980	1.8
91.05478	1.9
93.67526	0.9
95.04998	1.6
97.02898	19.9
97.96747	1.4
98.03191	1.2
98.09692	1.0
98.97588	100.0
99.04472	4.6
99.97920	2.0
100.99171	1.7
101.02398	1.5
101.06030	1.9
102.09220	1.5
102.96887	4.0
105.07082	1.0
109.02892	4.3
110.97570	13.4
111.04433	1.1
112.07595	1.2
112.99149	12.5
113.06083	1.3
115.03928	2.6
116.98634	34.3
117.98968	0.8
119.01859	3.0
120.97916	1.5
122.07196	1.2
124.99156	2.0
127.00699	2.5
127.03934	10.1
128.98605	11.3
129.02258	1.3
131.00175	12.0
133.01744	2.7
133.05081	1.2
134.99646	10.2
136.06175	1.3
136.07664	1.3
136.93172	1.7
137.05974	2.7
140.00186	1.1
140.02335	1.3
140.05916	1.3
140.98630	1.9
143.00165	7.4
143.01910	1.5
143.03761	1.2
144.98132	1.7
145.01732	5.9
145.03421	1.4
145.03947	0.9
145.05003	7.0
146.04146	1.2
146.99641	6.2
147.03261	3.2
147.04440	2.8
148.03867	1.6
149.01236	9.0
150.07739	1.1
152.05702	2.5
152.98637	1.9
154.94232	1.2
155.00264	1.4
155.01775	1.2
155.04642	8.9
155.54857	1.1
157.01714	2.1
158.99661	27.6
159.03198	2.3
159.99915	1.2
160.03940	1.6
161.01225	6.1
161.02849	2.1
161.04736	2.1
162.99062	2.4
163.02762	3.8
163.03981	1.8
164.05209	3.3
165.04407	1.4
167.02420	1.2
169.04341	1.8
170.05199	3.9
170.99664	6.4
171.03218	2.3
172.94225	1.2
173.01205	4.7
173.02753	1.0
173.04890	1.7
174.11272	3.5
174.86003	1.3
175.02783	3.9
175.04314	1.8
176.96173	1.5
177.00734	17.5
177.04297	5.9
177.05721	1.1
178.04962	1.6
179.02328	2.2
181.00105	1.4
182.03398	1.2
184.04880	2.0
186.04514	1.2
187.02806	4.3
189.00783	5.2
189.02486	1.4
189.04225	4.8
191.02231	2.7
191.05881	2.4
192.87120	1.7
193.03827	1.5
194.97368	4.2
194.99678	1.4
201.00742	4.4
201.04327	2.1
203.05826	1.3
205.00288	2.2
205.02153	1.2
205.03796	5.4
205.05595	1.7
205.07379	1.2
207.01643	1.2
208.88440	2.0
210.88123	3.7
211.07346	1.3
212.98579	2.1
214.95470	2.1
219.01784	21.7
219.03650	1.8
219.05376	2.3
220.02135	1.4
220.07841	2.7
221.08568	1.1
223.04893	11.3
226.95500	1.4
227.06776	6.0
227.56929	2.4
228.89252	2.7
230.94913	1.4
231.01868	1.1
231.05359	1.2
232.96533	1.6
233.03246	1.2
233.06857	5.0
236.07362	2.5
237.02831	22.6
239.56644	2.2
240.05705	3.8
241.02065	1.8
241.05998	1.5
242.07344	6.5
244.96458	1.2
247.04779	1.8
248.91666	1.2
248.96051	1.8
250.91431	1.5
254.99460	1.9
256.07065	1.5
268.92538	1.7
269.05270	1.5
270.98154	1.5
272.10211	7.8
272.60373	1.6
274.97549	1.6
277.06061	2.7
277.09491	1.1
279.03949	1.4
281.05603	1.1
286.08218	2.6
287.10724	3.1
287.61005	1.7
289.05865	1.8
291.07489	10.7
293.05365	1.4
293.10867	1.7
295.06995	6.9
295.10361	2.3
300.62057	1.9
301.10480	16.0
301.61172	1.9
302.11261	3.1
307.07257	1.4
307.82245	1.0
309.08609	19.5
310.08887	2.4
311.09052	1.3
321.08716	2.9
323.06470	1.4
325.06027	1.4
332.10382	1.7
337.08170	1.1
339.09744	1.6
344.07703	1.2
351.09485	3.5
367.09137	47.4
385.10007	4.4
391.08853	1.5
395.12302	1.5
409.10010	2.7
421.13757	2.8
427.10855	3.0
427.19943	2.0
439.14978	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1393
Annotation	Villosinol
Peak:m/z	Relative Intensity
53.03936	8.2
55.01851	6.0
66.04714	6.9
67.05507	4.7
70.68217	13.3
72.97583	3.4
79.01875	4.5
79.05506	22.3
80.41330	3.8
81.03410	5.0
81.07043	8.0
91.05467	17.3
93.07046	9.6
94.04167	15.0
95.04960	14.0
95.08595	4.5
105.04550	4.7
105.07005	4.9
107.04961	7.8
107.08586	8.0
108.05711	7.5
109.06512	11.2
115.05463	9.0
119.08581	7.4
121.06480	11.6
124.05233	29.1
125.05994	6.2
128.06174	8.4
128.39124	4.4
129.07022	8.0
131.08566	8.5
135.04419	22.4
137.05977	8.5
139.07542	58.9
141.07011	9.1
147.04395	8.2
149.02271	4.9
151.07526	8.2
153.06932	6.7
155.07007	18.8
157.06458	8.4
159.08023	7.5
165.06682	4.6
167.07039	58.8
169.06461	10.2
171.08089	4.4
173.06078	8.9
175.03857	7.7
177.05426	15.2
178.06163	5.2
181.06648	5.5
184.64146	4.6
185.05980	5.1
186.06752	4.6
191.03407	5.3
191.07065	26.7
193.04945	13.5
197.05946	8.9
203.03407	35.2
203.06926	4.7
205.04936	5.9
207.06548	11.0
208.07172	6.2
209.05986	9.7
209.07768	6.4
211.07553	6.1
225.05453	12.3
227.06958	8.4
228.04097	7.7
229.08733	5.2
231.06529	9.1
235.05989	8.5
241.04924	10.5
243.06494	53.5
245.08046	11.9
255.06581	56.5
273.07568	75.8
309.07651	4.4
311.09122	11.1
317.08041	4.5
326.35315	4.2
347.09088	5.6
353.13797	9.8
363.12347	13.4
365.13800	6.2
378.10986	5.3
381.13388	100.0
409.08334	2.5
409.12854	62.0
427.13718	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	427.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.4
57.03432	0.4
57.04547	0.7
58.08592	0.3
70.03735	1.4
70.06583	1.0
81.03406	0.5
82.34657	0.4
85.02898	0.6
94.04062	1.6
95.04998	0.4
98.97576	0.8
123.06670	1.4
133.02827	0.3
133.05121	0.5
135.05392	0.4
150.07756	100.0
150.68575	0.3
151.08101	0.5
177.05421	0.4
179.03439	1.0
203.05235	1.4
209.15463	0.3
218.13733	0.3
219.14273	0.4
265.07581	0.6
273.59067	0.3
282.11996	0.5
283.08450	0.5
295.11511	20.1
296.11942	0.4
300.63434	0.3
307.08698	0.8
331.13058	0.4
344.63181	0.3
374.12375	0.3
427.19516	36.8
428.20050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34535	2.4
51.09578	2.2
67.05531	4.7
69.07058	5.2
69.70023	15.0
75.39307	2.9
79.05503	5.0
81.07053	9.3
81.97295	2.6
88.14198	2.6
91.05457	7.4
93.07051	5.4
94.07300	2.4
95.04965	3.1
95.08611	9.4
98.21442	5.6
105.03460	2.8
105.07034	10.2
106.07303	2.8
107.04945	3.1
107.08607	5.5
109.03084	2.5
109.10172	8.7
113.02361	5.5
117.87118	2.8
119.08593	3.9
121.06480	4.1
121.10161	6.9
123.25182	2.4
125.12528	2.7
133.02818	3.3
133.10135	11.9
135.11719	2.7
147.11644	4.3
151.07570	7.6
161.02435	2.5
161.06000	3.0
161.13345	3.5
165.05527	2.8
171.04446	2.4
173.05923	2.8
175.03896	3.3
175.14807	3.5
177.05452	4.6
179.07079	5.3
185.05971	4.0
187.03955	5.9
187.07518	3.0
191.03294	2.6
191.07068	4.3
193.04927	4.6
203.07062	11.3
203.17993	4.3
204.18411	2.6
205.04964	6.6
207.06528	9.8
208.07292	5.0
215.07014	4.4
215.18216	2.5
218.07274	2.7
223.07709	3.0
233.09650	3.1
235.07503	4.3
236.08356	3.2
248.08318	3.4
251.10666	9.1
253.08466	3.5
259.06082	3.6
261.09103	6.2
263.10553	3.0
264.07794	4.2
266.05884	3.5
267.06516	7.0
279.07227	3.8
279.10138	21.9
281.08075	9.8
283.09641	2.8
289.08691	6.8
291.06454	6.1
291.10001	4.3
292.07288	5.6
293.08206	6.2
295.05884	3.1
305.11404	3.2
306.08771	3.1
307.09628	51.2
317.08185	9.9
319.06085	5.6
319.09628	6.1
320.06723	3.6
321.11084	6.7
323.12741	4.4
325.10696	3.9
331.09766	3.4
335.09155	54.6
336.09625	3.1
345.07599	10.1
347.12943	3.9
349.10681	29.1
350.10977	3.2
351.12253	32.6
363.04190	5.1
363.08661	100.0
365.13843	77.6
367.11777	49.0
377.10159	14.6
381.12927	2.7
395.11273	80.7
396.11258	3.2
409.12769	9.8
426.37936	3.1
427.14063	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	427.1387
Annotation	(-)-13alpha-Hydroxytephrosin
Peak:m/z	Relative Intensity
55.55951	1.3
56.46369	1.4
61.10156	1.4
66.37917	1.5
69.83598	7.1
70.90212	1.5
79.05483	2.5
85.16551	1.3
91.05478	3.2
95.01348	3.5
98.21543	1.5
105.03371	3.7
107.04951	3.1
109.06521	2.6
118.06921	1.4
119.08528	1.8
122.03634	2.3
125.02321	3.5
129.07037	1.8
135.04453	1.7
137.05923	3.4
141.05403	2.1
145.06494	1.4
147.08092	2.6
149.02351	4.5
149.06001	1.7
151.07576	5.4
153.70227	1.9
161.02353	5.4
161.05997	2.4
163.03925	3.5
164.04649	1.9
165.05441	7.6
171.07950	1.7
173.05962	2.3
175.04027	2.0
179.07036	4.4
185.05954	2.3
187.03928	3.4
191.07086	3.6
193.04950	12.7
203.07039	55.6
207.06497	8.0
208.07315	2.7
225.07513	5.7
225.09424	2.3
227.06914	1.7
232.23395	1.6
241.08525	2.5
243.10246	1.9
243.19418	1.4
263.07266	1.4
279.10147	1.6
291.06567	2.8
291.09891	2.2
303.10004	1.4
306.08920	2.2
307.06119	1.7
307.09683	6.1
309.07565	1.5
314.81091	1.4
321.11230	4.3
335.09271	12.6
337.14334	2.3
347.12897	3.4
349.10703	8.5
350.11432	3.9
351.08585	2.1
363.08432	2.4
365.13882	100.0
366.14215	3.3
367.11722	1.5
377.10184	5.9
381.09695	5.8
381.13754	2.9
394.10217	2.8
395.11310	13.6
397.12747	1.6
409.13031	10.9
427.13919	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	427.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	0.7
67.05490	0.6
68.25353	0.5
68.99795	4.8
69.46825	0.6
70.79494	1.3
77.03938	0.8
79.05481	1.2
81.07052	1.1
83.20867	0.6
91.05460	2.4
94.04169	1.3
95.01367	0.9
95.04951	1.1
97.06494	1.2
105.03401	7.9
106.04186	1.5
107.04943	1.8
109.06516	5.9
115.03924	9.8
119.05026	0.7
121.02818	0.7
121.06499	0.8
122.03622	2.3
133.02861	35.5
135.04405	6.9
137.05983	10.5
141.06998	0.8
143.03404	14.7
147.08043	1.8
149.02336	2.7
149.05994	1.9
150.03105	2.6
151.03886	0.7
152.69008	0.6
157.06404	0.8
161.02327	8.4
161.05965	2.5
163.03903	11.7
164.04680	1.4
165.05472	15.2
175.03979	0.9
175.07538	1.2
176.01051	1.4
179.06917	0.7
185.05978	2.2
191.03392	8.2
193.04973	50.3
194.05421	0.8
195.08089	2.0
199.07545	2.2
203.07034	100.0
204.07358	1.2
207.06561	1.5
213.09251	1.1
219.02892	35.2
219.06480	3.3
220.03136	0.7
223.07417	1.6
225.07558	1.5
241.08607	6.7
251.06973	0.7
269.08081	23.3
365.13831	1.7
377.10535	0.8
395.11267	52.1
396.11639	1.8
427.13879	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	427.1393
Annotation	6-Hydroxysumatrol
Peak:m/z	Relative Intensity
53.03942	4.5
55.01878	3.5
55.05515	3.8
67.05506	6.1
69.07080	5.0
71.04958	2.4
71.57575	2.9
74.98607	1.9
79.05496	12.9
81.07077	12.2
83.04977	2.3
91.05479	10.2
93.07054	7.9
94.04214	3.8
95.01337	3.0
95.04959	5.4
95.08631	6.2
96.05782	2.4
98.04951	2.0
98.97567	2.7
103.05479	2.2
105.07051	15.0
107.04964	5.4
107.08575	6.2
108.05737	7.0
109.06505	6.6
109.10181	2.6
111.08060	2.6
115.05458	3.9
117.07066	2.6
119.05021	2.3
119.08607	7.0
121.02933	2.5
121.06519	8.4
121.10123	4.6
122.03667	2.5
123.04489	4.6
123.11710	2.6
124.05215	13.2
125.06035	2.8
128.06241	8.7
129.06935	2.6
131.04947	2.9
131.08554	6.8
133.02864	3.1
133.06523	10.9
133.10124	7.0
135.04410	9.4
135.08069	2.8
135.11772	3.3
136.05241	5.4
137.05974	4.4
137.09549	2.3
139.07556	36.1
141.07021	2.6
143.08551	5.1
145.06519	2.2
145.10095	5.0
147.04407	7.8
147.08067	5.1
147.11664	3.5
147.94202	2.0
148.05200	6.0
149.02348	4.5
149.06067	2.8
149.09619	5.2
151.03941	3.5
151.07556	30.7
151.08696	4.0
153.83554	2.2
155.07054	5.5
157.10161	2.7
159.04483	3.1
159.11755	4.3
161.06033	8.7
162.06712	3.4
163.03845	2.5
165.05492	7.1
165.09135	9.6
167.07071	25.1
171.04385	3.8
171.08087	4.4
173.06058	3.5
175.03949	2.6
175.07561	10.9
176.04665	2.7
177.05542	15.1
178.06207	2.5
179.07048	94.3
181.06473	2.7
184.05179	6.7
186.24020	2.1
187.14842	2.9
189.05479	100.0
189.09145	3.2
190.05843	2.3
191.07042	40.4
191.08760	2.5
192.07822	32.2
193.05014	9.1
193.08510	3.2
197.05977	4.0
198.06706	3.2
199.07578	49.7
203.03412	6.6
203.07024	14.1
207.06529	7.1
208.07065	10.0
209.07715	7.5
211.06001	2.4
213.05319	2.6
215.03427	30.3
215.06746	2.9
217.04988	43.1
218.05371	2.5
219.06555	5.0
227.07059	25.5
228.04195	2.5
229.08591	3.6
231.06525	5.3
235.06026	17.8
236.06738	5.2
243.06558	69.1
245.08186	4.0
255.06572	6.6
266.53821	2.2
273.07581	50.1
285.07568	12.4
321.11340	3.4
323.05655	3.1
323.09192	3.7
327.08670	8.2
335.12744	2.7
348.51123	2.2
349.10760	5.0
351.08548	4.9
363.08499	2.8
363.12485	3.5
365.14044	2.6
367.11917	3.3
377.10101	7.5
378.10956	4.5
381.13358	34.9
399.14285	22.9
409.12888	81.3
409.27203	2.5
427.08078	8.6
427.13754	25.9
427.19440	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	427.1391
Annotation	6-Hydroxysumatrol
Peak:m/z	Relative Intensity
53.03947	1.0
55.01852	1.7
67.54478	1.4
68.99789	3.8
70.21732	5.2
75.09151	1.0
76.30718	1.2
77.03930	1.3
79.05502	5.8
81.07062	7.7
87.41582	1.2
91.05482	7.5
93.07084	1.7
95.01330	3.0
95.04974	1.2
103.05474	2.8
105.07046	1.5
106.04146	1.5
107.04964	5.3
108.05746	1.9
109.06541	6.0
110.03661	9.2
117.07049	1.5
119.04948	2.3
121.06505	20.5
123.04413	1.5
124.05232	1.7
125.06011	15.9
128.06245	1.5
131.04918	2.8
132.26579	1.1
134.03671	1.5
135.04425	12.4
136.05214	7.2
137.06015	2.9
138.06802	2.0
139.07539	5.0
143.08583	1.1
145.06529	2.7
147.04408	21.5
147.08174	1.3
148.05206	10.8
149.02394	6.2
149.05994	14.3
151.07544	37.4
152.08205	1.2
153.05475	40.6
154.06181	2.3
159.04483	3.2
161.06030	2.8
163.03914	4.2
163.07567	5.8
164.04695	15.9
165.01848	2.5
165.05502	1.9
166.06322	1.4
167.07051	14.4
169.04958	1.1
173.06087	2.0
174.06868	1.3
175.03926	3.7
175.07529	2.9
176.04704	5.3
177.01860	3.1
177.05470	16.6
178.06198	2.6
179.07039	38.1
179.08537	2.2
181.04958	3.1
181.08614	3.2
187.07530	2.5
188.08145	1.1
189.05522	3.2
191.07042	100.0
192.04184	1.3
192.07805	43.7
193.05005	3.6
193.08527	1.7
194.05734	2.4
195.06422	1.6
195.08032	1.4
201.05478	4.2
201.09239	2.2
203.03429	9.5
203.07036	9.0
205.08711	3.2
207.06540	5.2
209.08098	21.1
209.09898	1.8
210.08784	1.9
211.07602	4.0
213.05475	1.2
214.06335	1.1
215.07036	6.8
217.04976	2.5
217.08630	3.2
219.06541	36.5
221.04407	9.0
227.07074	2.4
229.08539	12.2
230.09178	1.8
233.08020	1.6
241.08559	3.6
243.06551	4.6
245.08070	12.8
257.07996	1.3
259.09656	7.3
269.08130	1.3
273.07538	2.4
279.10226	2.1
281.08011	1.6
291.06369	1.8
291.09943	1.5
292.07388	1.5
293.08060	2.0
295.05957	1.4
303.06433	1.3
305.08264	1.5
305.11566	1.9
307.06009	3.7
307.09595	3.0
309.07425	1.5
309.11218	1.3
311.09464	1.5
319.06027	4.9
319.09402	2.2
323.12680	1.8
325.10687	1.3
325.14325	1.8
332.06940	1.3
333.07748	2.2
335.09143	2.4
337.07339	1.5
337.10764	8.5
339.12360	2.8
347.05298	1.5
347.09207	2.1
348.06458	1.6
349.10733	3.0
351.08615	2.6
351.12430	1.8
353.09964	1.9
353.13809	2.7
355.15634	2.1
362.07904	5.3
363.08658	8.7
365.10175	13.8
365.13986	6.7
367.11957	2.1
368.13010	1.3
377.10425	3.8
378.10806	3.5
383.14932	19.4
395.11255	4.5
397.12985	22.7
409.12823	8.3
412.11386	2.2
427.13919	77.3
428.14346	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	427.1392
Annotation	(-)-13alpha-Hydroxytephrosin
Peak:m/z	Relative Intensity
53.03942	1.5
55.01874	13.9
61.71098	0.7
62.75477	0.8
63.90250	0.6
65.03931	1.4
67.05497	1.4
69.03422	0.9
71.15961	1.2
71.16289	0.8
79.05499	1.7
81.03425	1.2
81.07047	1.8
91.05473	5.1
93.03439	1.3
94.04174	1.1
95.01307	1.4
95.04969	4.8
95.63036	0.7
97.06544	2.3
98.40360	0.8
103.05513	0.9
105.03394	6.1
105.07014	0.9
107.08628	1.3
109.06525	5.0
109.10110	0.9
111.04364	0.8
121.06516	3.0
122.03616	2.2
123.04445	1.2
125.02370	3.1
125.05991	4.9
127.03910	3.4
133.02834	4.4
133.10132	1.7
134.03642	2.3
135.04411	1.3
136.01459	1.2
137.02325	1.1
137.05992	18.1
139.03917	3.1
144.79211	0.8
147.04390	1.5
147.08046	2.2
149.02361	6.6
149.06122	1.0
150.03021	1.6
151.03906	8.9
153.01823	1.2
161.02348	11.9
161.05974	2.4
163.03911	2.6
164.04684	2.4
165.05484	17.3
167.03366	2.8
175.03966	1.6
175.07509	0.9
178.02614	2.3
179.07089	1.2
181.05013	0.9
185.05948	2.5
187.03940	1.1
191.03387	1.2
193.04976	100.0
194.05275	1.4
203.07040	83.7
204.07339	1.1
207.06512	1.7
211.06047	2.4
211.07748	1.1
219.02928	4.0
224.78929	0.8
225.07582	26.5
225.09784	1.4
229.08618	2.1
241.08481	1.0
243.06459	1.0
243.64403	0.7
253.08646	2.2
257.08011	4.4
269.08163	2.6
271.09610	0.9
282.44324	1.0
286.07867	1.0
287.08194	0.9
321.11258	0.8
335.09198	1.2
339.15970	2.3
349.10690	1.4
365.13867	1.8
377.10196	5.6
381.12878	1.1
391.18970	2.1
395.06519	1.3
395.11298	22.0
409.12650	6.0
409.20087	3.3
427.08347	1.0
427.14017	12.9
427.20502	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	427.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78130	0.2
61.89203	0.2
63.25412	0.2
66.41467	0.2
68.99800	0.3
70.60546	0.6
75.44508	0.2
79.05494	0.5
81.07061	0.6
91.05480	1.2
93.07043	0.3
95.04946	0.3
105.03385	0.3
107.04939	0.7
108.05734	0.5
109.06502	0.5
110.03613	0.2
119.04982	0.3
119.08598	0.4
121.02869	0.2
121.06514	0.7
129.07036	0.4
131.08565	0.3
133.02808	0.5
135.04475	0.4
136.05203	0.8
141.06998	0.3
145.06429	0.3
147.04413	0.9
147.08060	0.5
148.05199	0.9
149.02335	0.7
149.05943	0.3
151.03934	0.4
151.07544	5.9
151.08784	0.3
153.05472	0.4
155.08557	0.4
159.08054	0.6
161.02287	1.3
161.05997	0.9
162.03062	0.2
163.03952	1.0
165.05511	1.6
165.06799	0.4
165.09137	0.3
171.08105	0.6
173.05980	2.1
174.06664	0.2
175.03909	0.8
175.07538	0.5
177.09229	0.3
179.07039	4.0
180.07819	0.2
181.05008	0.5
183.08052	0.2
185.06017	1.0
187.03920	1.6
187.07507	1.3
191.03310	0.3
191.07048	2.8
192.04172	0.6
193.05022	0.8
201.09093	0.3
203.07043	2.9
207.04529	0.5
207.06520	9.5
208.07304	6.4
211.07501	0.7
223.07655	0.3
227.06996	0.5
229.08659	0.5
233.02736	0.2
245.09787	0.3
248.08392	0.3
250.06117	0.2
251.07147	0.4
255.06540	0.7
257.08105	0.5
261.09106	0.5
273.09232	0.2
276.11426	0.2
277.08566	0.3
279.06854	0.5
279.10202	0.7
289.08670	0.6
291.10062	0.5
291.13577	0.2
292.07318	0.5
293.11569	0.3
303.10236	0.6
305.08136	0.4
305.11475	0.5
306.08997	0.4
306.12341	0.3
307.06042	1.0
307.09692	2.1
309.14801	0.9
315.10114	0.4
317.07983	0.6
319.09656	0.7
321.07733	0.3
321.11243	2.4
323.12875	0.5
331.09738	1.4
332.10516	0.3
333.11331	1.0
334.08136	0.4
334.11890	0.3
335.05136	0.5
335.09131	9.5
336.09738	0.4
337.14642	0.4
347.12811	3.1
349.10672	4.2
350.11560	3.0
365.13852	100.0
366.14249	3.5
383.14810	1.1
409.12793	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1392
Annotation	6-Hydroxysumatrol
Peak:m/z	Relative Intensity
52.42142	0.6
55.01871	0.9
55.45755	0.6
59.68175	0.7
65.03952	1.0
67.05511	1.0
68.99792	1.2
69.07049	0.7
70.04781	3.2
70.06269	0.7
79.05490	7.0
81.03405	0.8
81.07043	1.8
83.04990	0.8
84.91203	0.8
91.05480	5.3
93.07043	3.7
94.04156	1.0
95.04941	2.3
95.08620	1.0
96.05758	1.4
96.69276	0.6
98.21400	0.9
103.05445	1.9
105.03419	1.3
105.07008	2.6
107.04963	7.0
108.05737	3.1
109.06493	1.7
115.05424	1.5
117.06990	0.8
119.04926	1.9
119.08581	1.1
121.06523	5.9
123.04448	1.7
123.07983	0.9
124.05219	4.4
125.06037	1.1
127.03928	0.7
128.06255	1.6
129.07007	0.9
133.06477	3.0
133.10191	1.0
134.03650	1.1
135.04416	2.8
136.05202	6.7
139.07544	9.8
143.08649	0.9
147.04422	3.2
147.07971	0.8
148.05188	6.2
149.02296	1.6
149.05978	1.9
151.03915	1.6
151.07552	38.5
153.05519	0.9
155.07053	1.5
157.06567	1.0
158.07262	0.8
161.05962	4.5
162.06729	2.2
163.03883	2.5
164.04675	0.8
165.01880	3.5
165.06688	0.7
165.09097	2.5
167.07066	5.0
175.03909	5.7
175.07576	1.0
176.04749	1.0
177.05472	8.6
178.06215	1.5
179.07045	100.0
180.07356	1.8
181.04996	1.7
183.02888	1.3
184.05368	1.0
185.05977	2.9
187.03928	2.8
189.05443	2.0
191.03391	0.9
191.07033	17.8
192.07819	20.9
193.04964	2.2
193.08569	2.5
195.08038	0.7
197.05940	1.6
199.07576	2.8
201.05467	1.7
203.03410	2.2
203.07008	4.2
204.07878	0.8
207.06537	2.0
211.07533	0.9
213.05484	0.7
214.06256	1.2
215.07008	0.8
217.04985	1.3
217.08713	1.6
219.06516	1.8
221.08047	1.1
223.07549	0.7
227.07007	7.0
229.08655	1.3
231.06569	1.4
235.05931	3.6
241.08560	0.8
243.06544	1.5
245.08090	8.8
251.07048	9.1
253.08690	1.0
255.06561	1.8
257.08109	0.9
269.08115	1.2
271.06006	0.8
273.07523	3.5
293.04807	0.6
320.06870	1.1
332.10583	1.0
337.10745	0.9
339.08582	1.0
347.09344	1.0
351.08722	4.6
363.08453	1.3
365.10120	1.0
367.11661	1.0
370.00003	0.7
376.09531	2.0
381.13513	1.7
391.11783	1.2
391.19092	3.9
395.11252	1.2
397.06033	0.9
399.14413	2.0
409.12790	19.1
409.20477	1.1
427.13937	75.2
428.14282	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	427.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01873	1.4
55.05502	3.1
56.96569	3.8
62.30515	1.1
67.05517	2.6
68.99802	1.3
69.03426	1.3
69.07072	3.0
71.10011	1.2
71.27591	1.8
74.09739	1.4
79.05495	3.1
79.22943	1.1
81.07050	4.9
83.05002	1.4
85.81174	1.1
89.01814	1.3
90.58625	1.4
91.05490	4.8
93.07047	3.0
95.01330	2.9
95.04964	4.0
95.08620	2.7
97.06536	2.4
98.03665	1.8
98.97574	2.5
105.07047	2.6
107.04960	3.3
107.08611	1.5
109.06505	2.9
109.10155	2.3
109.11456	1.2
110.03683	6.4
111.00802	4.7
119.08575	3.4
121.06520	3.6
121.10178	1.5
123.04451	3.1
123.11731	1.6
125.02338	1.5
125.06004	9.7
125.09709	1.6
126.03136	9.5
128.06253	2.2
129.07011	3.2
131.08563	1.9
133.02913	2.8
135.04399	3.0
136.05222	3.8
137.02258	1.1
137.05949	1.8
138.03111	2.3
139.07542	3.6
141.05481	44.4
145.06572	1.4
145.10176	1.6
147.04401	4.2
147.08026	3.4
148.05174	5.3
149.02335	3.6
151.07552	22.3
153.05467	2.8
153.99188	1.3
155.07104	2.2
155.08554	2.0
161.02341	5.7
161.06049	3.0
163.03938	3.8
165.05461	1.5
165.09116	6.6
167.03423	2.8
167.07051	9.3
169.04982	85.7
171.04578	1.6
171.08073	4.4
173.05940	2.3
175.03954	4.3
176.04752	1.4
177.01901	2.5
177.05559	1.9
179.07043	25.4
181.04976	100.0
183.06551	3.3
183.08055	1.6
185.05948	2.4
187.03946	1.7
187.07524	2.0
189.09131	1.4
191.07033	9.3
192.04108	1.3
192.07828	2.8
193.04965	3.2
198.06833	2.0
199.07567	6.1
201.09030	2.5
203.07050	39.1
205.05003	1.3
207.06548	5.8
211.07539	1.8
213.05472	3.2
213.09122	2.5
227.07103	3.3
229.08664	2.8
231.06398	2.6
239.06812	1.6
243.06665	2.6
244.51234	1.3
245.08072	2.6
253.08679	2.2
255.06508	1.4
255.10246	2.1
257.01215	5.3
257.07986	1.5
259.09686	11.3
267.26019	1.4
275.02292	10.4
277.08920	1.3
278.08984	1.5
279.10147	2.1
291.10034	2.3
296.03598	1.6
307.09607	2.6
308.78305	1.3
309.11508	1.4
314.04526	1.7
319.09570	1.7
321.11380	3.4
324.03040	2.1
330.07309	2.8
331.08301	4.2
333.11316	1.8
335.09082	8.3
336.09842	1.3
340.02621	2.0
342.04150	1.6
347.12839	2.3
349.10840	3.6
350.11447	2.3
352.02560	2.5
353.13937	2.3
365.13879	64.4
367.05090	1.7
370.03619	4.0
377.10004	1.9
381.13605	7.8
385.06003	6.2
385.12991	2.3
391.11728	3.8
399.03897	4.3
403.07059	25.8
404.06915	1.4
409.12827	12.3
417.04895	13.6
421.07916	1.6
426.08704	1.4
427.07117	4.1
427.13873	19.3
427.24387	2.2
435.05896	1.5
445.08191	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	427.139
Annotation	(-)-13alpha-Hydroxytephrosin
Peak:m/z	Relative Intensity
53.03950	0.7
54.72647	0.7
56.96568	1.2
65.03939	1.4
67.05502	2.2
67.29467	0.7
68.99785	0.8
70.69640	1.6
70.69981	1.2
79.05505	2.3
81.07056	2.5
82.04185	1.0
83.04984	0.8
84.08135	2.7
85.75273	0.8
89.59721	0.7
89.82596	0.7
91.05484	4.0
93.07039	1.8
95.00780	0.9
95.01305	4.7
95.04978	5.9
95.08570	1.8
98.97543	0.9
105.03382	0.8
105.07009	1.8
107.04939	1.8
107.08620	0.9
109.02876	1.1
109.06490	2.2
109.10214	1.2
110.03672	10.5
114.37859	0.8
119.04964	1.6
119.08578	2.5
121.02876	1.2
121.06525	2.0
123.04409	7.0
124.05203	4.1
125.02406	4.6
125.06004	22.3
128.06270	1.2
129.06990	2.3
131.08563	1.5
133.02831	2.9
133.10239	0.8
135.04417	1.3
135.07964	0.7
136.05164	3.2
137.02344	2.7
137.06010	1.5
139.07568	2.2
140.04695	3.2
141.05458	0.9
141.07047	1.0
143.08615	1.2
144.05710	0.9
147.04437	1.6
147.08075	3.9
148.05205	2.5
149.02342	7.9
149.06018	5.9
151.03899	2.3
151.07547	15.3
153.05457	7.7
154.05699	0.8
155.07047	4.3
157.06471	1.0
159.08035	1.4
161.02373	10.3
161.05962	4.2
163.03931	3.8
165.05467	2.6
167.03415	6.1
167.07117	6.0
171.08038	1.5
173.06038	1.4
175.03958	3.5
175.07513	2.3
177.05435	1.1
179.07059	16.6
181.04970	100.0
182.05261	1.0
183.06554	1.1
185.06029	4.8
187.03865	1.8
187.07581	0.9
189.05493	0.9
189.09109	2.1
189.46851	0.8
191.03384	1.3
191.07019	1.2
192.04181	2.4
192.07903	1.0
193.04962	8.1
199.07544	1.1
201.05373	1.3
201.09148	1.0
203.07043	91.9
204.07280	1.2
205.04985	7.3
207.04564	1.1
207.06549	16.9
208.07347	1.5
211.07549	3.6
213.05527	1.3
217.08643	0.9
218.49100	0.7
221.08054	5.3
225.07600	2.0
227.07092	6.3
229.04965	0.9
229.08627	3.8
230.05772	1.9
231.06467	1.6
239.07036	1.0
243.06577	0.9
245.08119	40.0
246.08406	1.0
251.05518	3.1
255.06573	1.0
257.08084	11.5
259.09735	1.7
279.06610	1.1
295.06186	1.1
295.09387	0.9
305.08212	0.9
307.06119	1.0
307.09457	1.3
309.07556	1.5
321.11136	1.3
323.09113	1.4
325.14340	3.9
333.07510	1.4
335.09097	3.5
337.07059	1.3
337.10764	1.2
339.08633	2.2
349.10858	1.8
350.11472	1.4
351.08643	2.9
353.13791	7.9
358.03748	1.2
365.13876	21.4
373.05869	1.3
376.04666	1.8
379.07983	0.9
381.13358	22.7
383.14914	4.3
391.11743	1.0
395.11356	1.4
399.14554	5.1
409.13046	7.0
427.13937	23.7
427.19138	1.0
427.35571	0.8
428.13986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1393
Annotation	6-Hydroxysumatrol
Peak:m/z	Relative Intensity
55.05512	3.2
56.55332	2.0
58.48895	2.2
65.03931	2.5
67.05483	4.4
69.03421	5.6
69.07056	4.3
71.58537	2.4
73.92153	2.3
76.22284	2.0
79.05495	3.8
81.03397	4.1
81.07042	6.5
83.08616	2.5
91.05486	11.8
93.07026	5.8
95.04989	4.0
95.08618	7.0
103.05476	3.5
105.03417	2.4
105.07059	11.6
107.04935	8.6
107.08558	5.4
109.10128	3.3
112.90942	2.3
113.51583	2.2
117.07014	3.2
119.08560	7.4
121.06493	20.4
121.10141	3.6
123.11636	2.9
125.06027	3.1
129.07033	2.5
131.04959	3.7
133.02832	2.5
133.06465	2.7
135.04381	5.2
136.05162	6.2
137.05995	2.7
139.07526	6.9
141.05423	5.3
143.08508	3.5
145.10182	2.3
147.04425	21.4
147.11613	3.7
148.05135	7.2
149.02359	15.2
149.06020	13.8
150.35878	2.2
151.03897	3.4
151.07571	35.5
153.05536	2.4
161.02435	2.0
161.05968	5.7
163.03899	6.7
163.07559	3.5
164.04688	15.7
165.05478	3.6
166.02138	2.7
167.03400	8.0
167.07043	6.7
169.05019	11.9
173.05949	5.4
174.20647	2.3
175.03850	4.2
176.04652	6.3
177.05463	27.2
178.02631	2.7
178.06335	3.4
179.07050	40.4
181.04941	5.0
181.06451	2.2
181.08571	4.8
189.05533	5.0
191.07033	100.0
192.07819	74.9
193.05020	15.8
193.08099	2.9
197.05946	3.4
198.06770	2.4
199.07594	2.5
201.05455	6.3
201.09146	4.7
201.16006	2.7
203.03560	2.9
203.06981	12.0
205.04973	3.1
205.08580	3.1
207.06615	14.8
207.10124	4.6
209.08115	24.2
213.09027	3.0
217.08543	4.8
219.06505	36.1
220.03773	2.8
225.05455	2.9
227.03174	44.2
227.06924	3.5
229.08511	5.6
241.08443	3.3
243.06577	6.0
245.08159	11.6
249.09381	3.3
257.08130	3.9
259.09686	18.0
267.06369	2.6
269.08102	9.1
270.08676	3.0
278.09235	2.7
279.10071	2.5
295.09363	2.5
309.07870	3.2
311.12924	3.7
313.10815	2.4
321.11282	4.8
324.32681	13.7
335.09225	6.2
337.10538	3.3
339.12183	18.9
349.10583	6.9
355.15192	6.1
363.08527	3.5
365.10281	3.0
365.13974	26.7
367.12073	3.8
377.10391	5.6
378.10983	2.7
383.14874	10.0
395.11414	18.2
397.12689	5.4
409.12637	6.7
427.13797	48.5
427.18973	21.2
427.28094	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05508	0.7
56.96568	14.3
56.96838	1.2
57.03432	1.1
59.93488	0.5
61.02920	0.8
63.31390	0.5
67.89861	0.5
69.03428	2.2
69.28264	0.4
69.80617	2.8
69.97326	0.5
70.06586	0.8
71.05017	0.5
72.08150	2.1
73.02902	1.5
74.97659	0.5
78.02493	0.5
78.35992	0.5
83.04984	0.7
84.08137	2.2
84.96021	1.6
85.02912	4.7
85.06528	0.7
85.55730	0.4
87.04471	0.7
97.02878	2.4
97.96780	0.6
98.09692	1.4
98.97587	71.5
99.04456	1.2
100.99152	2.6
101.06034	0.5
102.05530	1.6
102.09182	2.9
102.96863	0.9
103.09512	1.0
110.97578	8.1
112.99138	27.4
113.02307	0.5
115.00685	0.6
115.90143	0.5
116.07138	0.8
116.98628	15.6
119.00210	1.4
119.01867	0.5
124.99140	1.2
126.09198	1.0
127.00699	2.8
127.03925	0.7
128.10674	1.5
128.98624	6.4
131.00172	25.3
131.07014	0.6
133.01743	0.9
134.99663	2.5
140.00688	0.5
140.98640	0.8
141.01917	0.9
142.02238	0.5
143.00163	9.2
143.01202	0.6
144.10205	1.6
145.01736	4.4
145.10527	0.7
146.99649	2.1
149.01225	13.0
152.98572	1.5
155.01141	0.7
157.01767	1.9
158.99661	17.0
159.03177	0.5
161.01228	6.5
162.99161	0.5
163.02806	3.7
164.07191	0.5
167.02278	1.4
169.01738	1.6
169.04372	1.0
170.99673	3.6
173.01218	6.5
174.11273	5.1
175.02754	3.4
177.00746	6.4
178.05032	0.8
179.02287	2.3
181.03809	0.7
185.01288	0.7
187.02783	5.5
188.12758	2.6
189.00731	1.7
190.03354	1.1
191.02304	3.6
193.03876	1.6
194.99710	0.5
195.01768	0.5
201.00696	3.3
203.02318	1.2
205.03841	10.1
206.02898	0.6
206.13905	1.4
209.01265	0.7
210.11018	1.5
211.04950	0.7
217.03870	1.0
218.13864	2.4
219.01779	19.4
221.03285	0.6
223.04892	23.0
231.78154	0.6
233.03386	1.6
237.02843	15.5
240.12111	0.8
241.05937	2.6
247.04974	1.8
250.07149	1.3
251.04439	0.9
255.03862	1.0
261.02921	1.1
263.04407	2.1
265.05887	0.8
265.11856	0.6
271.05804	0.5
272.06723	0.7
275.04370	0.8
277.05954	5.4
277.60977	1.2
279.03860	1.6
281.05594	3.0
291.09253	0.7
293.05472	2.5
295.06979	11.5
299.05804	0.9
307.07004	1.6
307.60004	0.6
308.09915	0.5
318.10745	0.6
322.07379	0.6
323.06534	0.7
323.10422	0.7
326.03903	0.6
337.08017	6.4
352.08694	3.8
355.09195	3.7
367.09134	100.0
368.09698	0.7
385.10144	9.6
385.14780	0.8
395.17572	0.5
409.10260	4.4
427.11356	6.8
427.19821	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	426.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92955	0.3
69.03447	0.4
69.46135	0.7
69.46550	1.6
70.06601	0.9
70.45594	0.3
81.03418	0.5
81.07068	0.4
85.02900	1.0
86.09692	0.3
87.00833	0.4
91.05481	1.5
96.88803	0.4
97.02896	0.8
98.97581	0.7
105.07038	0.5
106.92547	0.3
109.02839	0.5
115.05470	3.5
117.05755	3.0
118.06549	43.3
119.04961	0.7
119.06867	0.8
121.02871	1.3
127.03912	0.5
130.06516	0.7
131.07384	0.3
132.04425	0.7
132.08099	27.1
133.08434	0.4
142.06499	2.3
143.04878	0.3
145.02873	0.5
159.06776	0.7
160.07587	100.0
161.07913	1.5
177.01855	0.3
177.05557	0.4
178.08656	8.0
189.01839	0.4
195.02969	0.6
203.03304	0.7
205.91658	0.3
207.02824	0.3
217.04985	0.4
218.13841	0.9
279.06421	0.5
294.05194	0.4
295.06039	2.3
295.08774	0.4
296.06784	0.4
297.07629	0.4
307.06070	0.4
308.06735	0.7
309.07513	0.4
321.07538	1.1
325.07019	3.8
337.07214	1.5
345.07346	0.4
349.07135	1.4
351.08524	1.4
363.08517	1.1
379.08191	3.7
391.08109	3.0
403.08621	0.4
409.09286	3.4
426.17911	2.6
427.10541	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.9
57.07080	10.7
67.05506	39.0
69.07077	31.6
71.08640	5.6
71.09756	11.7
72.50340	4.8
75.07747	5.0
79.05478	22.0
79.88117	4.9
81.07059	70.1
83.08612	19.9
89.06039	6.9
91.05492	45.5
93.07034	48.5
95.08608	100.0
105.07038	52.0
107.08592	77.6
109.06531	6.5
109.10158	95.6
119.08577	54.3
121.06548	6.0
121.10139	67.2
123.11704	43.0
131.08553	10.6
133.10136	84.9
135.11691	57.3
137.13239	19.0
137.98134	5.2
145.10098	21.2
147.11681	39.0
149.13269	25.7
157.10091	5.8
159.11710	20.8
161.06128	5.0
161.13264	28.8
163.14813	27.8
165.01901	10.7
169.02649	5.6
173.13368	11.1
175.14796	15.1
177.05467	7.9
177.16422	10.8
179.14252	5.7
185.13190	6.8
187.14845	13.7
189.16389	20.9
191.17918	23.6
201.16443	11.9
203.07008	12.9
203.17964	29.9
205.04832	8.0
205.19540	5.3
207.06505	19.5
207.17424	6.2
215.17914	7.2
216.56737	5.6
217.19618	25.0
245.22722	7.0
266.77219	5.1
267.10181	21.3
269.08221	8.7
315.45334	5.2
365.19397	7.6
377.94501	6.4
389.17148	7.9
407.22235	16.7
407.36557	21.5
425.22394	10.4
425.38306	46.0
443.78546	5.5
446.77563	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	425.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.05519	17.1
57.07072	4.5
65.03946	3.2
67.05507	37.2
69.03422	3.3
69.07077	33.8
71.04994	3.9
71.56415	3.2
79.05498	19.9
81.07063	75.4
83.08609	13.8
91.05480	21.7
93.07051	47.9
94.11249	2.6
95.04985	4.0
95.08613	100.0
97.06542	5.6
97.10184	9.3
98.23901	2.6
105.07034	39.9
107.04944	4.8
107.08607	65.6
109.10163	82.7
111.11742	4.9
117.07018	6.5
117.89194	2.5
119.06171	2.2
119.08579	47.9
121.06515	5.7
121.10146	48.7
123.11726	33.4
125.09631	8.5
127.11217	4.0
129.06998	3.3
131.08609	13.2
133.10135	33.8
135.11693	41.8
137.02350	5.7
137.13271	17.6
139.03923	3.1
143.08563	3.3
145.10138	23.5
147.11702	30.3
149.02393	3.3
149.13266	32.9
151.03946	4.9
151.14816	3.8
153.19733	2.3
157.10100	2.9
159.11679	20.4
161.13255	26.0
163.14876	16.2
165.01871	29.7
165.12738	2.8
167.03447	3.0
171.11726	3.4
173.13284	7.8
175.04050	2.5
175.14818	12.1
177.05519	19.0
177.16409	10.0
179.14313	4.8
183.02870	9.7
187.14850	9.4
187.36607	2.5
189.16374	17.5
191.07019	3.7
191.14349	2.5
191.17941	40.1
193.19696	2.9
200.56984	2.4
201.16359	23.2
203.07068	4.9
203.17992	22.0
205.04956	19.7
205.15988	3.1
205.19524	15.1
206.05498	3.4
207.06509	11.4
207.17532	5.1
213.16402	4.1
215.17972	9.8
217.19534	23.2
219.17430	3.8
227.17873	2.6
229.19518	2.9
231.21082	3.6
245.22632	3.4
257.08075	8.0
265.29651	2.7
269.08066	21.7
269.22565	3.0
287.05573	7.7
299.05487	10.5
299.12592	2.5
299.27606	4.0
381.13443	4.7
389.17126	3.0
407.22546	14.9
407.36792	19.5
410.45230	3.0
425.22910	11.3
425.37955	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.00882	2.3
55.05518	18.8
57.07072	8.2
65.03941	2.2
67.05504	45.4
69.07072	71.6
69.07452	4.0
69.20408	20.5
69.20821	4.9
71.04987	2.3
73.03149	2.1
79.05501	26.0
81.07063	99.0
83.08630	16.4
85.06563	5.0
86.86669	2.1
89.06038	2.8
90.55393	2.1
91.05492	23.0
93.07050	51.9
95.08610	100.0
97.06548	3.0
97.10181	11.1
105.07045	39.2
107.08595	51.3
109.10158	78.5
111.08096	3.8
111.11720	23.6
117.07060	6.3
119.08580	39.1
121.10140	44.0
123.08118	4.9
123.11705	36.6
125.09697	3.0
131.08589	12.4
133.10129	27.4
135.11708	42.2
137.09642	6.4
137.13272	21.2
139.11218	3.7
143.08562	4.1
145.10152	23.4
147.11708	28.8
149.13278	30.2
151.11176	5.2
151.14798	3.9
157.10153	6.4
159.11700	22.5
161.13260	21.7
163.14822	16.6
171.11684	4.8
173.13297	9.7
175.14850	18.9
177.16426	20.4
183.11664	2.9
185.13257	5.6
187.14836	11.0
187.53465	2.3
189.16360	12.8
191.17926	11.0
195.17451	11.6
199.14941	3.4
201.16371	14.2
203.17982	15.5
205.19531	4.1
207.04764	2.4
207.06572	9.1
208.60818	2.2
213.16327	4.3
215.17970	9.6
217.19476	12.7
219.17490	2.9
229.19542	7.4
231.21082	5.8
233.18991	4.6
241.19595	3.7
243.21181	5.5
247.20599	2.4
255.21172	3.4
257.22723	5.0
259.24326	6.0
271.24185	5.4
285.26013	3.0
325.28964	3.2
343.30316	3.2
407.36740	24.1
425.21829	3.5
425.37930	57.2
426.38419	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	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03942	6.4
53.11950	3.1
53.71997	3.6
55.05516	24.1
57.07077	11.7
58.95618	3.4
59.05028	3.6
62.27514	4.0
65.16302	3.8
67.05499	47.5
69.07071	54.6
70.13957	12.4
71.04993	6.8
71.08650	3.9
74.89862	3.4
79.05487	27.1
79.70964	3.2
81.07061	96.7
83.08634	18.3
91.05474	22.8
91.62400	3.0
93.07048	57.7
95.04963	6.3
95.08617	100.0
96.08904	3.6
97.10157	10.8
105.07032	42.6
107.08601	75.4
109.10161	89.5
111.11727	7.9
117.06981	4.7
119.08586	51.4
121.10160	49.7
123.08037	5.0
123.11716	41.7
125.09568	5.1
127.11196	5.2
131.08568	16.2
133.10155	31.3
135.08128	3.5
135.11702	44.9
136.12036	3.5
137.13271	21.2
145.10172	17.9
147.11693	40.5
149.13269	42.3
157.10132	8.2
159.11670	16.9
161.13261	25.4
163.14870	18.9
167.07051	13.2
171.11659	4.4
173.13292	16.8
175.14862	22.4
177.16371	18.9
185.13245	4.8
187.14845	12.0
189.16408	18.2
191.17973	10.2
195.17549	4.0
201.16389	15.1
203.17957	27.4
205.19542	10.2
207.06584	10.7
213.16438	5.9
215.17952	11.4
217.19510	9.5
227.18011	5.0
229.19495	9.5
231.21069	11.6
233.22720	4.2
241.19623	5.6
243.21141	7.0
257.22635	7.8
259.24130	5.9
263.41763	3.6
267.06525	5.4
269.22549	4.3
271.24152	3.8
271.53601	4.0
285.25671	6.2
407.36609	24.5
425.37900	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05514	25.7
57.07070	10.5
65.25823	3.6
67.05510	38.0
69.07072	53.4
69.30004	27.7
79.05506	17.0
81.07063	100.0
83.04972	12.8
83.08620	23.0
89.06055	3.9
91.05499	22.6
93.07050	58.2
95.04957	4.3
95.08050	7.2
95.08614	95.2
97.06535	3.6
97.10161	14.9
98.21355	12.9
105.07029	45.9
107.08610	63.0
109.06451	4.6
109.10168	77.7
111.11662	7.3
117.07047	4.7
119.08598	52.9
121.10161	51.8
123.11716	42.3
125.09615	6.7
131.08618	17.1
133.10130	32.3
135.11697	37.5
137.13261	13.1
143.08551	6.8
145.10146	33.5
147.11690	46.4
149.13257	27.1
151.14948	4.5
157.10155	6.5
159.11662	22.7
161.13229	23.3
163.14870	17.6
171.11748	7.0
173.13312	17.5
175.10889	4.5
175.14873	18.2
177.05527	7.4
177.16386	12.0
185.13248	4.5
187.14807	15.9
189.16417	17.0
191.17918	9.5
199.14911	5.4
201.16367	11.7
203.17969	28.0
205.04912	6.9
205.19379	5.5
207.06491	14.8
213.16435	4.7
215.17911	12.1
217.19495	8.6
229.19527	12.1
231.21080	9.8
241.19502	4.9
243.21165	6.6
257.22589	6.1
269.22626	7.0
271.24167	4.1
325.28918	24.6
343.29980	8.1
369.31622	8.3
407.36685	29.4
425.22662	6.0
425.37949	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.29223	1.2
55.05510	5.8
57.07067	3.1
67.05506	14.5
69.07071	17.0
71.31132	1.5
79.05499	5.9
81.07059	35.0
83.08614	5.5
89.89489	1.1
91.05490	5.3
93.07051	17.9
95.08611	61.9
97.06542	2.7
97.10171	4.4
101.66395	1.2
105.07038	12.6
107.08598	34.7
109.06505	1.5
109.10163	43.7
111.08090	2.0
111.11720	5.0
115.14143	1.1
117.07043	1.9
119.08574	19.4
121.10148	30.3
121.11015	2.1
123.08060	1.4
123.11715	19.6
131.08582	4.1
133.10158	17.2
135.11708	20.2
137.13255	14.1
139.63535	1.1
145.10150	4.6
147.11693	13.5
149.13260	14.4
151.09900	1.2
151.11121	1.2
151.14813	2.1
157.10182	1.2
159.11713	9.2
160.58290	1.4
161.13274	12.2
163.14833	12.2
173.13324	5.8
175.14832	6.9
177.16357	6.1
179.14333	3.5
179.17885	1.3
185.13257	1.7
187.14819	5.6
189.16368	11.1
191.17963	22.4
199.14789	1.4
201.16420	6.7
203.17960	10.3
205.19519	11.0
207.17491	4.2
213.16408	1.6
215.17926	8.5
217.19583	8.4
229.19537	6.5
231.21117	4.8
233.19072	4.2
234.70139	1.3
243.21115	5.3
245.22672	11.5
247.20581	14.2
257.22687	3.2
259.24283	4.1
261.22217	5.4
269.22614	2.9
271.24261	4.0
283.24295	2.2
285.25888	3.7
287.23880	2.1
297.25687	1.7
301.25244	1.8
315.26752	1.7
407.36774	21.4
425.37808	100.0
426.37805	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3785
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.96982	5.1
52.92429	4.5
55.05500	20.0
67.05511	33.0
69.07082	45.5
69.31365	36.4
76.14043	6.4
79.05499	17.6
81.07063	70.1
83.08616	16.6
88.46688	4.7
89.06011	6.4
91.05458	14.1
92.05779	6.6
93.07047	45.6
95.08614	88.9
105.07067	32.8
107.08599	57.4
109.06514	5.9
109.10157	69.9
111.08064	7.0
113.64831	4.9
117.07050	6.9
119.08577	44.1
121.10164	48.1
123.11742	32.1
131.08543	16.2
133.10139	40.3
135.11690	32.2
137.13318	23.7
145.10118	19.2
147.11707	24.3
149.13264	26.9
157.10098	5.8
159.11679	15.8
161.13252	22.4
163.14847	22.8
173.13225	14.2
175.14786	11.9
177.16408	16.0
185.13081	5.1
187.14793	8.3
189.16428	12.1
191.17941	8.9
201.16411	9.2
203.17989	11.6
205.04993	5.4
205.19528	7.5
207.06464	13.3
215.17955	12.0
217.19576	14.5
231.21124	10.9
243.21085	13.6
245.22717	16.6
257.22763	12.6
269.22552	7.2
271.24182	11.6
285.25681	9.4
287.23901	7.1
329.28488	8.8
407.36761	41.3
425.37912	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	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05515	19.0
57.07069	8.8
67.05510	37.8
67.44991	3.3
69.07077	42.1
71.04988	5.5
71.06561	6.8
79.05493	20.3
81.07063	100.0
83.08630	20.2
85.06510	3.0
87.14443	2.6
88.92543	2.6
91.05482	18.1
93.06483	2.7
93.07053	49.2
95.08611	91.2
97.10170	8.4
99.08076	3.1
105.07031	38.9
107.08604	64.9
109.06533	3.4
109.09447	6.2
109.10164	77.1
111.11713	7.9
115.38058	3.0
117.07067	3.4
119.08595	50.5
121.10159	56.4
123.11718	32.0
125.09684	5.4
127.11222	14.0
127.68172	3.1
131.08537	15.0
133.10149	33.9
135.11688	40.7
137.13240	20.2
145.10162	20.2
147.11694	31.3
149.13290	39.0
151.14879	3.4
153.12756	3.3
157.10114	6.8
159.11711	28.0
159.66438	2.9
161.13258	23.6
162.84782	3.4
163.14818	22.6
171.11725	3.4
173.13278	19.3
175.14803	20.5
177.15009	2.9
177.16333	16.5
185.13260	6.4
187.14830	15.7
189.16412	14.2
191.17934	13.8
195.17365	4.3
201.16457	15.0
203.18004	13.2
207.06633	4.9
213.16351	3.0
215.17981	12.7
217.19528	12.7
225.16371	3.2
227.17992	4.5
229.19441	14.3
231.21120	15.6
233.19221	2.9
245.22446	3.8
257.22653	9.4
265.04886	3.1
267.06458	6.8
268.10556	3.2
269.22650	5.3
271.24271	6.8
285.25821	7.3
327.30750	2.9
339.02139	3.5
339.30591	3.9
343.30084	5.2
407.36877	18.4
425.37854	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	425.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.0
57.07063	8.3
60.06574	2.3
62.78307	2.2
67.05515	21.7
69.07080	14.3
69.23339	5.2
69.23746	23.4
76.59129	2.3
79.05498	12.2
81.07060	64.2
82.75772	2.3
83.08621	8.1
89.06016	4.2
91.05503	11.6
93.07047	20.7
95.08609	100.0
97.10188	3.1
105.07023	16.5
107.08586	18.4
109.10155	28.7
111.11739	4.5
117.07006	3.1
119.08603	16.4
121.10179	18.1
123.11714	19.1
131.08582	5.2
133.10129	11.5
135.11732	17.2
137.13260	48.8
143.08612	3.0
145.10118	10.0
147.11681	11.3
149.13232	12.0
151.14835	2.6
157.10149	4.8
159.11655	7.1
161.13261	7.7
163.14838	4.3
173.13290	6.8
175.14847	4.5
177.16380	5.5
185.13324	4.2
187.14880	6.9
189.16411	3.8
191.17931	4.4
201.16388	5.3
203.17938	6.7
213.16246	4.8
215.17969	3.0
217.19469	5.9
229.19540	2.9
231.17406	5.1
245.19025	4.3
255.21040	3.1
257.22675	6.5
269.22668	2.9
275.24008	3.0
336.80899	2.7
403.79803	2.6
407.36768	4.2
425.38101	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	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25493	2.0
53.03932	5.4
55.05518	16.4
57.07070	8.1
65.03938	3.6
67.05513	34.8
68.77460	2.0
69.07074	34.6
69.19039	20.3
70.67624	2.1
74.95957	1.8
79.05503	23.1
81.07059	74.1
83.08618	10.5
91.05495	21.8
93.07048	52.8
95.08612	100.0
97.06513	6.0
97.10149	5.2
105.06387	2.7
105.07040	39.2
107.08602	63.9
109.10162	91.0
111.11711	3.5
117.07025	3.8
119.07810	2.0
119.08582	45.9
121.06517	4.0
121.10163	54.1
122.10357	2.0
123.08075	2.5
123.11710	34.6
125.09645	4.5
129.07005	3.9
131.08577	11.7
133.10153	29.2
135.10828	2.9
135.11716	40.3
137.02351	16.3
137.13266	20.0
143.08478	2.7
145.10144	18.6
147.11687	29.7
149.02348	7.6
149.13275	34.3
151.03902	6.6
151.14799	4.6
155.08653	2.4
157.10156	4.0
159.11734	19.8
161.13293	24.2
163.14851	20.6
165.01884	4.8
167.03413	6.3
173.13245	8.6
175.14844	13.2
177.05466	10.5
177.16406	9.0
179.14256	7.7
187.14810	8.5
189.16380	19.7
191.17950	45.1
199.14789	2.1
201.16371	23.0
203.17920	21.4
205.04984	14.7
205.19507	12.7
207.06511	10.0
207.17447	5.2
215.17929	9.1
217.19507	27.1
219.06609	10.1
219.17268	3.4
219.21115	3.0
227.17924	3.5
229.19495	3.4
231.20923	2.8
233.19121	3.2
243.21295	2.9
257.22693	5.3
267.06586	3.7
285.07578	4.7
301.06784	7.3
310.17538	2.6
381.13281	3.2
398.16989	2.4
407.22192	14.8
407.31775	2.4
407.36722	13.9
425.23138	7.4
425.37897	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	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
55.05504	5.6
57.07067	3.5
59.04987	1.5
67.05509	9.6
68.99802	2.0
69.07070	17.6
69.78017	2.8
69.78430	5.5
71.04993	2.8
79.05519	7.3
81.07060	20.9
82.07381	1.5
83.08628	4.3
91.05485	19.2
92.05840	1.7
93.07044	11.9
95.04984	1.9
95.08611	18.7
103.05486	3.1
105.07039	71.1
107.04936	2.3
107.08604	14.4
109.06540	2.8
109.10159	34.6
111.11687	1.9
117.07026	8.1
119.08591	100.0
120.08967	2.0
121.06525	12.7
121.10178	10.1
123.08025	2.7
123.11720	10.5
125.09681	2.0
128.21825	1.5
128.90561	1.6
129.07010	1.9
131.04944	2.2
131.08560	8.8
133.06491	2.3
133.10136	29.8
135.08078	9.5
135.11705	6.9
137.02354	3.2
141.01820	5.5
143.08614	1.8
145.10143	25.6
146.10437	1.6
147.10640	2.7
147.11703	35.2
149.02377	2.4
149.13275	6.8
151.03935	7.9
159.11688	9.0
161.05988	1.8
161.13268	13.4
163.11386	1.6
163.14845	2.8
164.04706	2.5
165.01839	78.2
173.13255	3.0
175.14828	1.8
177.05472	26.7
183.02899	26.0
191.07063	1.5
191.17885	1.6
192.04167	4.3
193.04922	3.4
201.16356	14.0
203.03503	1.8
203.07126	2.7
203.17970	68.1
205.04974	34.6
205.19537	7.0
207.06540	41.7
207.08382	3.0
215.17924	2.0
217.04971	1.5
221.04431	7.8
241.08481	2.1
245.08270	1.7
247.06047	2.8
251.07065	2.7
253.08597	2.0
257.08112	2.4
265.05179	2.6
267.06519	5.3
269.08115	64.0
270.08344	3.8
285.11029	1.8
297.11182	2.6
303.12106	1.8
322.31165	2.6
323.12808	1.8
325.14246	1.8
351.12363	4.1
389.17059	2.5
390.00555	1.7
407.22614	16.2
407.36575	2.7
416.69431	1.8
425.23309	21.8
425.31870	4.4
425.37820	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	425.2324
Annotation	Scoparic Acid C
Peak:m/z	Relative Intensity
53.03919	2.4
55.05502	5.1
57.04106	1.8
60.32816	1.8
60.72194	1.9
62.43295	1.8
67.05518	11.0
69.07064	30.2
70.60963	6.8
71.34741	2.1
79.05491	8.3
81.03455	2.5
81.07059	19.5
83.08601	5.2
90.24687	2.6
91.05482	16.2
93.07050	13.7
95.04960	2.6
95.08612	18.3
97.10157	3.2
100.78828	1.8
102.07439	1.9
105.07035	35.8
107.08598	19.4
109.06515	8.3
109.10168	21.4
115.05476	2.4
117.07008	7.5
118.89198	1.9
119.08581	42.5
121.06516	31.7
121.10134	12.6
123.08083	2.5
123.11703	5.7
131.08566	7.8
133.10117	8.7
135.04396	2.5
135.08058	30.3
135.11703	9.9
141.01846	2.4
143.08606	2.0
145.10117	23.5
147.11705	7.9
149.06068	2.1
149.13263	2.9
151.03903	11.7
157.10094	2.5
159.11693	10.7
161.05927	2.0
161.13246	5.2
164.04662	3.4
165.01840	45.6
173.13260	2.1
177.05473	59.8
177.16389	2.3
178.02689	4.6
183.02876	14.5
189.16498	2.9
191.07080	2.0
191.17952	6.0
192.04179	3.5
193.04953	16.3
201.16377	21.0
203.06955	3.1
203.18030	8.8
205.04970	81.0
205.19720	2.8
207.06523	66.6
217.19470	3.4
219.06549	3.8
219.17419	3.8
221.04463	100.0
222.04922	2.0
223.06024	6.0
227.07010	2.4
267.06500	4.0
269.08102	40.2
297.11307	3.8
316.64148	1.9
323.12823	4.4
407.22318	30.1
425.23264	67.1
425.37909	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2323
Annotation	Walsurin
Peak:m/z	Relative Intensity
53.95519	1.2
55.05501	2.4
57.07069	3.4
57.35323	1.1
67.05492	5.1
69.06726	1.8
69.07072	20.0
69.43338	9.4
69.55521	1.2
71.05002	1.3
71.08626	2.6
79.05484	2.6
79.25482	1.3
81.07058	5.3
83.08636	1.7
85.10179	1.6
89.06027	9.7
91.05459	6.0
93.07043	3.2
95.08575	4.3
105.06382	1.8
105.07037	22.3
105.53724	1.3
107.08569	2.4
109.06513	1.2
109.10138	8.9
110.03282	1.2
117.07059	6.4
119.07788	2.0
119.08594	28.3
119.09440	1.7
121.06499	12.1
121.10144	2.3
123.08075	1.5
125.09633	1.2
131.08553	3.6
133.08620	3.6
133.10117	3.4
134.08963	1.5
135.08029	3.1
145.10143	26.6
149.05960	2.9
151.03886	2.9
157.10159	2.0
157.65504	1.4
159.11670	4.6
161.05980	2.1
163.03888	3.8
164.04630	4.6
165.01877	2.4
177.05476	36.3
188.26430	1.2
192.04166	4.7
201.16388	9.3
205.04976	44.7
207.06537	100.0
208.06949	2.0
219.17433	4.2
255.10179	3.5
323.12958	2.0
325.14236	1.9
381.13431	1.6
395.44284	1.3
407.22125	11.1
408.33978	1.5
425.22375	9.3
425.27710	1.2
425.34442	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2326
Annotation	Adunctin E
Peak:m/z	Relative Intensity
52.02659	1.2
53.03941	2.3
55.05511	4.9
57.07074	2.4
59.13649	0.9
63.34474	1.0
64.84557	1.3
65.03934	1.3
67.05517	6.0
69.07078	21.2
70.08273	0.9
71.55706	1.5
75.75607	0.9
79.05496	6.9
81.07081	8.9
83.08594	1.6
91.05487	24.4
93.07054	7.6
95.04965	2.3
95.08622	6.9
103.05479	1.4
105.03379	1.1
105.07039	34.0
107.04954	2.2
107.08588	6.2
109.10168	7.5
111.11737	1.5
115.05482	2.3
116.06236	1.1
117.07040	11.6
119.07784	1.5
119.08590	15.9
121.06520	12.0
121.10134	2.9
123.04448	1.0
123.11678	1.5
128.06207	1.4
129.07071	1.4
130.07768	2.4
131.04893	1.4
131.07588	1.1
131.08582	19.2
133.06505	1.8
133.10155	5.3
135.08075	7.8
135.11707	1.9
143.08563	1.9
145.09042	1.8
145.10139	29.9
147.11671	2.6
149.05992	4.2
149.13297	1.3
151.03915	30.6
157.10121	1.8
159.04337	1.0
159.11728	11.4
161.05969	3.4
161.13354	1.1
163.03896	1.1
164.04703	6.9
165.01837	2.4
167.03372	1.5
173.05847	1.0
173.13286	2.1
177.05487	43.1
178.06093	1.2
179.07059	1.9
189.05408	1.6
189.16269	1.2
191.03419	1.7
191.06822	1.3
192.04224	6.3
193.04984	1.7
199.07715	1.1
201.16414	27.4
203.07123	2.4
205.04980	59.7
206.05699	4.6
207.06548	100.0
208.06917	1.8
215.10620	1.2
219.06549	3.4
257.08151	1.5
267.10095	3.4
269.08191	2.0
279.09991	1.4
283.16840	7.6
285.07687	1.5
285.10995	1.6
291.10242	1.4
297.11234	3.1
305.11707	5.5
323.12799	8.3
351.15909	1.1
361.21768	1.5
381.13419	1.4
389.21094	4.6
395.22168	2.9
407.22238	45.1
408.22675	2.0
425.12082	1.8
425.23166	18.4
435.99176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18674	1.2
55.05507	4.3
63.96738	1.5
67.05508	8.8
69.07072	22.0
69.64553	6.2
70.29444	1.4
71.08630	1.3
79.05489	3.4
81.07063	8.7
91.05476	13.1
93.07040	6.1
95.08601	3.9
105.07037	10.9
107.08597	6.1
109.06538	2.5
109.10168	12.9
109.90412	1.4
111.66283	1.5
113.77571	1.5
115.05432	2.1
117.07008	4.8
119.08580	21.5
121.06509	30.8
121.10149	4.1
130.07712	1.5
131.08585	7.3
133.10120	4.1
135.08063	19.5
137.02353	1.7
145.10133	30.0
147.04420	1.7
147.11719	1.9
149.02336	7.7
149.05991	7.9
149.09654	1.9
151.03862	8.7
152.08086	1.5
157.10101	1.7
159.11697	9.8
161.05984	1.9
161.13240	1.5
163.03801	1.6
164.04718	3.3
165.01851	22.2
167.03380	7.7
177.05479	71.9
178.94695	1.5
179.07027	1.8
183.02916	5.9
185.05882	1.7
192.04164	4.4
193.04941	1.5
201.16400	23.9
203.07008	3.6
205.04968	100.0
206.05630	2.3
207.06544	81.6
214.28929	1.4
219.06575	2.9
267.10349	2.9
285.07721	7.7
285.10669	2.0
291.10110	1.5
297.11252	4.7
299.12747	3.1
305.11743	2.1
309.11148	2.5
310.12067	1.3
323.12552	6.8
325.14276	4.8
389.21155	1.8
390.60410	1.3
407.22269	33.6
425.18933	6.5
425.23221	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	425.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.8
65.03934	1.0
67.05512	7.2
69.07069	4.0
69.89967	4.2
71.04992	1.1
71.08625	2.3
79.05507	2.0
81.07048	4.1
82.96495	0.8
91.05486	13.2
93.07068	1.7
95.08605	3.1
98.21424	0.8
103.55553	0.7
105.06370	1.5
105.07037	18.1
107.08611	2.2
109.10156	8.8
117.07051	5.7
119.08586	29.1
121.06526	7.3
130.07803	3.4
131.08578	6.0
133.06528	0.9
133.10149	2.4
135.04408	0.9
135.11667	1.2
143.08582	1.0
145.10126	62.2
146.10422	0.8
149.05975	2.4
151.03949	3.0
159.11691	10.3
161.06004	2.4
164.04686	5.0
166.07745	0.9
173.13342	0.9
177.05478	30.1
189.05508	1.1
192.04207	5.5
193.10797	0.9
201.16418	15.7
205.04971	33.3
206.05669	1.6
207.06535	100.0
208.06927	2.3
267.10196	9.3
277.06903	0.8
285.11508	1.1
297.11261	1.9
323.12775	1.9
325.14355	3.1
334.69000	0.8
339.15900	1.3
407.22205	15.1
420.92889	0.9
425.23004	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2325
Annotation	Adunctin E
Peak:m/z	Relative Intensity
55.05499	2.1
56.39590	1.4
57.07069	1.9
67.05500	10.5
69.07072	8.9
69.89224	6.4
71.05013	1.6
79.05489	6.4
81.07072	16.6
83.04989	3.1
83.08611	2.2
91.05491	9.5
91.72369	1.5
93.07047	17.2
95.08618	12.2
103.55952	1.6
105.07034	20.9
107.08599	16.4
109.10168	19.0
109.91026	1.6
111.08104	2.1
117.07025	25.8
119.08591	21.1
121.06532	9.8
121.10150	7.0
123.11704	15.8
129.07042	3.5
130.07787	4.5
130.74222	1.7
131.08572	24.4
133.10147	12.1
135.08054	3.3
135.11722	3.0
143.08565	3.1
144.09308	2.9
145.10136	63.8
147.11699	11.1
149.02351	1.8
149.06102	1.6
151.03928	11.1
157.10138	3.4
159.11708	46.0
159.13034	2.8
161.05988	2.8
161.13272	4.5
163.11154	2.0
165.01892	11.0
167.03482	2.1
173.13278	8.0
175.14835	4.6
177.05487	30.7
177.16444	1.9
183.02911	2.8
191.07080	2.2
196.03207	1.5
201.16399	100.0
202.16733	2.9
203.07129	1.7
205.04976	43.3
206.05612	2.2
207.06538	23.3
219.06543	15.0
219.17474	24.6
219.19551	2.1
243.69986	1.7
269.08221	7.4
286.07813	1.7
299.12769	3.4
325.14359	1.8
351.15759	2.4
361.21722	1.5
365.17551	5.4
389.21469	2.1
407.22235	89.4
408.22668	3.2
425.12418	1.7
425.23260	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
55.05509	5.4
67.05492	8.6
68.56365	1.8
69.07075	20.7
69.43659	8.8
69.44074	8.0
71.05000	3.3
79.05505	2.9
81.07055	12.8
83.04974	2.3
89.07126	2.0
91.05479	24.5
93.07032	6.7
95.08572	4.3
103.05451	5.2
105.03409	5.8
105.07030	18.6
107.08586	11.1
109.10136	17.3
117.07032	4.8
119.08595	30.3
121.06518	22.2
121.10143	6.9
123.00754	2.9
123.11695	7.0
125.09685	2.8
129.07079	2.0
131.04938	15.4
131.08556	4.2
133.10094	2.9
135.08032	5.4
137.09663	2.5
141.01823	5.4
145.10132	27.2
147.04385	3.5
147.11670	4.5
149.02356	4.2
149.05981	6.1
150.26237	2.0
151.03888	6.0
151.11186	3.3
157.06483	2.2
157.10069	3.0
159.11644	10.7
161.05933	2.3
164.04674	4.2
165.01846	89.4
165.03261	4.5
167.03522	3.4
177.01961	2.4
177.05472	75.8
179.03348	3.9
181.01309	3.5
183.02901	32.4
183.08043	2.3
189.01857	2.5
191.03325	2.9
192.04123	3.3
193.05005	2.5
201.16438	20.3
203.03389	3.6
203.07021	6.0
205.04965	100.0
207.06541	82.1
208.07224	4.0
211.07596	3.4
215.58586	2.2
216.23277	2.0
227.07033	3.7
227.10657	5.9
231.06509	4.6
239.07135	8.1
239.10315	3.2
243.06454	5.3
243.10236	3.0
251.07103	3.6
257.08005	7.3
267.06763	4.2
267.10159	27.7
269.08142	41.0
285.07571	28.8
285.11060	5.6
297.11063	3.3
303.12247	5.2
307.09836	3.9
309.11090	2.9
323.12787	7.3
325.10681	3.7
325.14349	6.0
347.12576	2.2
389.17371	14.6
407.17484	27.9
407.23233	25.1
425.11823	11.4
425.18494	5.3
425.23917	21.4
444.24573	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	425.2325
Annotation	Scoparic Acid C
Peak:m/z	Relative Intensity
60.35701	5.5
61.30715	5.8
62.78951	5.4
67.05496	20.0
67.36618	5.3
69.07059	19.7
69.42239	41.4
77.56875	5.2
79.05486	6.4
81.07057	19.8
82.43924	5.3
91.05484	89.3
93.07050	33.4
95.08598	18.0
100.98724	6.0
105.07015	38.2
107.08597	9.0
109.10191	30.9
117.07001	11.2
119.08575	20.9
121.02882	8.8
121.06525	13.1
123.11683	10.6
131.04886	6.2
133.10132	25.7
137.02351	85.0
143.08546	10.1
145.10152	39.7
147.11708	8.4
149.02351	56.6
151.03906	19.4
159.11711	17.2
161.05978	12.5
165.01846	19.6
165.05457	9.5
166.07799	7.8
167.03398	36.0
169.08682	5.4
175.07556	6.0
177.05504	48.7
179.08640	7.8
181.27277	6.2
183.02856	10.3
189.05426	20.9
191.07079	15.7
201.16406	33.5
203.07106	12.5
203.18008	8.7
205.04971	56.8
206.05557	6.2
207.06538	39.5
211.07538	25.4
219.06563	7.0
229.08549	31.0
232.97583	5.9
235.99333	6.1
239.07108	8.1
243.06596	13.5
257.08121	84.2
258.08563	8.1
267.10156	100.0
269.08218	16.3
273.14813	56.9
285.07623	6.9
285.11133	6.1
301.07108	17.9
324.91553	6.3
336.83755	5.9
350.51108	5.9
379.11313	5.7
389.21140	14.0
407.11014	7.6
407.22281	88.4
425.23642	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	425.1963
Annotation	Lespedezol D5
Peak:m/z	Relative Intensity
53.03932	1.6
53.62901	1.1
55.01861	3.1
55.05495	2.3
57.46211	1.0
65.03928	3.5
67.05513	9.7
69.03416	1.5
69.07082	9.2
71.08968	2.6
76.63734	1.3
79.01828	1.2
79.05471	4.1
81.03403	1.6
81.07068	10.7
83.08601	1.4
87.80349	1.1
88.09415	1.0
91.05475	9.1
93.03404	1.6
93.07061	8.1
95.04959	1.9
95.08614	5.2
97.02880	1.1
103.05450	1.3
105.06488	1.0
105.07033	11.7
107.04958	5.3
107.08618	6.3
109.02884	1.4
109.06532	1.1
109.09450	1.3
109.10155	15.3
117.06989	4.1
119.04897	2.5
119.07811	1.3
119.08585	16.1
119.22856	1.1
121.02839	1.4
121.06513	10.5
121.10104	3.2
123.00771	2.0
123.04375	1.4
123.11716	6.2
130.07813	2.0
131.01308	1.5
131.08607	5.4
133.10069	3.3
135.04442	1.3
135.08026	2.1
135.11649	4.9
137.02318	2.0
141.01831	5.0
143.08563	1.1
145.10130	25.3
147.04446	6.5
147.11594	1.1
149.01151	1.7
149.02354	35.0
149.05981	1.3
151.03876	4.4
153.01764	2.7
159.11702	8.3
161.05983	1.6
163.03877	4.1
165.01849	100.0
167.03410	31.0
173.97964	1.1
177.04045	2.0
177.05481	27.3
179.03441	6.2
181.05127	1.2
183.02902	32.7
187.03833	1.8
191.03378	2.8
192.04128	2.3
193.04936	1.6
201.16411	13.5
203.03265	1.2
203.07048	1.4
205.04980	33.9
206.05489	1.2
207.06534	33.5
219.06566	5.5
231.06412	4.5
239.07167	1.6
243.06444	1.7
251.06792	1.4
267.06390	3.3
269.07806	1.4
285.07599	49.8
287.12799	7.4
297.07526	1.0
297.11105	4.5
299.05515	2.7
299.12842	1.3
305.13754	3.6
323.09293	1.3
325.10681	1.5
329.51724	1.3
343.91553	1.2
407.17511	2.6
407.22784	10.1
425.19327	61.2
426.19540	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	425.1961
Annotation	Exiguaflavanone L
Peak:m/z	Relative Intensity
54.48252	0.4
55.01870	2.3
55.05506	0.7
67.05486	1.0
68.99789	1.3
69.03402	0.7
69.07061	1.0
70.60388	0.8
79.01842	1.1
79.05497	0.6
81.03407	0.9
81.07046	1.8
82.59451	0.4
91.05480	0.9
92.99772	0.8
93.07023	0.8
95.08611	1.4
97.02879	1.2
98.21409	0.5
99.00816	1.0
105.07035	1.0
107.08603	1.0
109.06516	0.6
109.10167	1.7
119.08630	0.8
121.10141	1.1
123.00787	1.8
123.04430	0.9
123.08053	0.5
123.11707	0.5
124.08339	0.5
133.10172	0.9
135.04488	0.6
135.11673	0.8
137.02367	2.3
137.05977	2.0
141.01833	5.2
145.10127	0.6
147.11748	0.4
151.03944	0.5
159.11731	0.5
161.13240	0.8
165.01846	100.0
166.02203	0.8
177.05437	0.7
179.03397	1.6
179.14400	0.6
180.14644	0.8
183.02904	30.5
191.03481	2.1
201.16360	0.7
203.17905	0.6
205.04971	0.9
217.19559	0.9
221.04547	1.2
259.06021	0.7
271.06366	0.4
283.06100	0.9
289.14273	0.5
301.07086	73.8
302.07428	1.4
320.06561	0.5
346.13065	0.4
396.67331	0.4
407.22217	1.3
407.36703	0.5
424.32068	0.5
425.19336	0.9
425.31741	2.1
425.37378	0.6
432.23853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48918	0.3
53.03944	0.3
55.05499	0.7
56.96548	0.7
57.07075	0.4
64.17315	0.3
67.05506	1.6
68.99803	0.5
69.03428	0.5
69.07049	1.3
71.56173	0.5
79.03975	0.3
79.05488	1.0
81.03410	0.5
81.07060	2.3
84.08133	0.4
84.46176	0.3
91.05473	1.3
92.64677	0.3
93.07048	1.3
95.01331	0.7
95.04967	0.8
95.08588	1.6
97.06528	0.4
98.97591	0.4
99.04459	0.3
103.05426	0.4
105.07040	1.4
107.04956	0.7
107.08576	1.5
109.06538	0.8
109.10165	1.5
114.56870	0.3
119.04980	0.5
119.08575	1.0
121.06598	0.3
121.10135	1.1
123.04410	1.3
123.11691	1.2
127.03867	0.3
131.04941	0.5
131.08582	0.6
133.10178	0.7
135.04427	0.7
135.11635	0.7
137.02379	2.1
141.01825	0.4
143.08591	0.5
145.10144	0.5
147.04422	2.8
147.08022	0.5
147.11725	0.6
149.02368	2.5
149.09627	0.4
151.07542	1.0
157.10060	0.4
159.07948	0.3
159.11685	0.5
161.06049	0.4
161.13202	0.4
163.00276	4.3
163.03903	1.5
163.14882	0.4
164.12012	0.3
165.01845	100.0
165.09131	1.3
166.02222	0.6
167.03423	2.6
175.03905	0.8
176.04720	0.9
177.05493	0.9
179.03433	0.6
179.07050	1.2
181.01329	12.5
181.04964	0.4
183.02902	16.1
187.03979	0.5
191.07031	7.5
193.05022	0.4
195.02835	0.3
201.05495	0.6
203.03477	0.7
203.07097	0.7
207.06630	0.5
213.16707	0.3
219.06534	1.0
227.07060	0.7
243.06535	0.6
251.07089	0.5
256.19385	0.4
257.08112	1.1
257.19342	0.4
269.08090	2.0
269.11731	0.6
279.06473	0.3
285.07605	23.5
287.05597	2.0
287.12790	2.5
299.05496	1.4
307.06274	0.5
318.05270	0.9
319.06149	0.5
321.07535	0.6
333.07568	1.5
335.05722	0.4
337.10773	0.4
347.05563	0.5
349.06958	0.7
361.07001	0.8
362.07913	1.2
365.10202	4.4
375.08524	0.4
379.11816	0.6
389.17422	1.7
393.09680	14.6
394.10175	0.6
397.13083	1.7
407.18628	1.8
425.12335	5.0
425.19601	1.4
425.25168	0.7
425.30310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19115	1.4
53.03951	3.4
55.01867	4.7
55.05518	3.5
59.04988	1.8
59.66364	1.4
63.05597	1.2
65.03957	1.6
67.05509	6.6
68.76220	1.3
68.99806	3.6
69.07075	8.9
70.62950	1.4
71.04986	4.4
71.12301	2.9
79.05490	4.5
81.03428	1.9
81.07068	8.9
83.08646	1.9
85.03327	1.6
91.05485	17.2
93.07070	6.8
95.04977	3.9
95.08620	9.1
97.06524	1.3
99.00825	1.5
100.76694	1.3
105.03400	3.6
105.07047	14.5
107.04961	14.0
107.08595	7.0
109.06533	3.2
109.10178	9.3
111.04407	2.0
111.11653	1.9
117.07000	2.5
119.08593	10.0
121.02867	1.8
121.06530	6.4
121.10123	4.0
123.04434	4.2
123.11725	2.4
127.11211	10.6
130.07800	1.5
131.08577	6.5
133.10146	6.2
135.04411	4.2
135.08087	1.9
135.11667	2.5
137.02324	3.8
137.05972	2.4
139.02852	1.2
139.03912	35.3
141.01848	9.3
143.08638	2.2
145.10146	16.9
147.04463	2.8
147.11693	2.0
148.78574	1.6
149.02345	6.8
149.06012	1.9
151.03911	5.7
157.10153	3.1
159.08144	1.9
159.11752	7.3
161.06000	3.2
161.09669	1.7
163.03943	3.1
164.04674	2.1
165.01852	100.0
167.03433	5.7
169.06464	1.7
173.13272	2.7
175.03928	2.2
177.05489	11.3
179.03392	12.3
183.02921	47.2
185.06039	1.8
187.07616	1.7
189.05478	1.8
191.07053	3.1
192.04210	3.8
193.04958	2.0
195.02881	6.0
201.16406	10.5
203.03482	1.5
203.07022	4.9
205.04984	21.9
207.06546	53.8
211.07506	2.6
219.06554	2.1
219.17470	4.6
227.07036	2.9
229.08623	3.3
239.07062	2.1
241.08423	1.8
251.07166	5.9
253.08699	3.3
255.06511	4.1
257.08173	7.1
267.06573	3.7
267.10229	3.0
269.08139	15.2
285.07602	3.6
285.11035	2.0
299.05432	1.9
301.07092	75.9
305.13876	4.5
323.13000	1.5
381.13013	1.7
389.17191	3.9
391.93405	1.5
407.10614	2.0
407.22824	8.2
425.23318	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	425.1959
Annotation	Lespedezol D5
Peak:m/z	Relative Intensity
53.03632	0.5
55.01862	1.9
55.05511	0.6
58.98326	0.5
59.42749	0.5
64.80609	0.6
66.32455	0.5
67.05495	1.5
68.99783	1.0
71.37662	0.9
79.05499	0.8
81.03412	0.9
81.07051	1.9
83.08547	0.5
91.05465	1.3
93.07022	2.1
95.08597	1.2
97.02858	1.1
99.00813	0.9
105.06996	1.0
107.04963	1.6
107.08596	2.0
109.10155	2.3
119.04944	0.6
119.08617	1.3
121.06483	2.3
121.10128	1.0
123.00815	1.7
123.11713	1.1
126.40777	0.7
133.10097	1.0
135.11714	1.0
137.02341	2.1
141.01859	4.1
145.10112	1.2
147.04420	4.4
153.01819	0.8
165.01846	100.0
167.03401	0.7
177.05476	1.1
179.03394	2.0
182.55617	0.6
183.02916	28.1
191.03453	2.9
205.04979	2.1
207.06589	1.0
219.06560	1.3
227.06961	0.8
239.06973	0.8
243.06503	0.5
253.08699	0.6
257.08069	1.0
267.06607	1.1
267.09888	0.5
269.08090	12.0
285.07590	58.0
286.07831	1.3
287.12857	1.7
299.09085	0.7
305.13947	3.6
325.10681	3.0
343.12119	0.9
361.49756	0.6
389.17529	1.7
407.18423	4.4
425.19644	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	425.1961
Annotation	Kuwanon E
Peak:m/z	Relative Intensity
55.01885	3.4
67.05497	1.2
68.99778	2.9
69.03440	1.4
69.07061	1.8
69.41464	3.9
71.04982	0.5
74.09265	0.5
79.05503	1.4
81.03410	1.6
81.07058	1.8
91.05465	1.8
92.99767	0.7
93.07028	1.6
95.04940	1.3
95.08585	0.9
97.02872	1.3
98.20737	1.0
99.00801	1.2
105.07018	2.6
107.04964	15.3
107.08591	0.6
109.10155	2.3
117.06988	1.0
119.04923	0.8
119.08582	2.3
121.02869	1.0
121.06492	1.0
123.00816	1.8
123.04418	4.4
127.11224	1.0
131.04922	1.0
131.08604	1.2
133.10185	1.2
135.04430	2.9
137.02356	5.1
139.03912	38.3
141.01833	8.0
145.10135	5.0
149.02344	3.1
149.06149	0.7
151.03908	2.2
155.08571	1.4
158.07257	0.9
159.08054	1.0
159.11768	1.5
161.13274	0.9
163.03961	1.6
165.01846	100.0
166.02184	0.7
167.03491	1.3
169.08591	2.1
175.03944	0.9
177.05489	5.1
179.03400	10.4
179.06938	0.9
181.08672	1.0
183.02899	31.9
183.08034	0.6
185.06049	1.3
195.02911	7.1
197.06047	0.7
201.09085	0.9
201.16389	3.4
203.07036	0.7
205.04982	7.6
207.06558	13.9
211.07558	9.5
214.06261	2.1
227.06985	0.9
229.08615	10.8
239.07065	3.3
242.05853	1.0
255.06528	6.4
257.08112	36.7
258.08441	0.9
269.08173	2.0
270.58832	0.6
273.07571	1.4
273.14819	1.5
283.06061	0.8
285.11429	1.3
289.14322	1.0
301.07086	81.2
302.07581	1.3
379.18890	0.8
407.22247	2.1
408.97754	0.6
425.15771	7.4
425.23590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1962
Annotation	Lespedezol D6
Peak:m/z	Relative Intensity
53.03933	1.2
55.01860	2.5
55.05497	1.8
56.96581	1.4
57.07072	1.3
57.81486	0.9
65.03930	1.7
67.05503	4.0
68.99795	2.1
69.03438	1.5
69.07084	4.5
70.94956	2.3
71.05009	1.8
72.11682	0.8
77.29174	0.8
78.34152	0.7
79.05493	2.6
81.03397	1.7
81.07061	9.4
82.80982	0.8
83.04983	0.8
83.08649	1.7
85.07087	0.8
90.82414	0.8
91.05490	4.2
93.07039	5.4
95.01346	1.2
95.04986	1.1
95.08614	11.2
97.02928	0.9
97.06552	1.0
97.10171	0.9
103.05481	2.3
105.03369	1.6
105.07028	4.7
107.04932	2.8
107.08595	8.8
109.10159	8.6
109.41846	0.8
110.03673	2.4
111.04491	0.9
115.05460	1.0
119.08601	4.3
121.06522	2.7
121.10164	5.7
123.00856	1.1
123.08051	0.9
123.11722	5.7
125.05998	6.1
131.04936	5.2
131.08554	1.7
133.10124	3.9
135.11697	6.1
137.02344	3.7
137.13216	4.2
139.03922	2.0
141.01831	4.4
141.06967	1.3
145.10194	1.7
147.04436	3.0
147.11723	1.4
149.02361	8.8
149.13254	3.0
153.01828	3.0
153.05467	12.5
154.06219	1.1
159.11732	2.1
161.13225	1.8
163.03931	1.0
163.14886	1.4
165.01843	100.0
165.09146	1.3
167.03442	8.1
173.13246	1.0
175.14835	1.3
177.05470	2.0
177.16371	1.8
179.03413	5.1
181.04979	0.9
183.02902	38.9
189.05438	1.0
189.16382	1.4
191.03406	3.1
191.17924	1.9
195.08131	1.9
197.05930	2.3
203.07111	2.5
203.17932	1.7
205.19557	1.5
205.38051	0.9
217.19586	1.5
223.07594	2.4
229.19550	1.2
231.06483	2.1
243.06499	1.5
246.60666	0.9
251.07039	21.4
253.08566	1.0
267.06628	1.4
269.08112	11.0
275.06674	0.9
285.07590	68.3
286.08127	1.0
287.05484	6.5
287.12769	3.0
295.09641	1.4
299.05667	1.7
299.09027	1.4
303.12296	1.2
305.13739	5.1
323.09116	3.1
327.08582	2.8
389.17361	6.0
397.12738	1.0
407.18600	9.1
407.36621	1.6
425.12234	18.9
425.19431	6.2
425.38174	4.9
426.12848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01875	1.0
55.05519	1.4
61.89080	0.5
63.80109	0.6
67.05495	2.4
69.07059	1.7
71.04993	0.9
71.56548	0.8
79.05489	2.7
81.03430	0.9
81.07056	4.4
83.04985	1.2
83.08603	1.1
85.02892	1.4
91.05464	2.6
93.07046	3.3
95.04987	1.4
95.08604	4.9
97.06524	1.4
97.10154	0.8
98.97591	1.0
105.07037	3.1
107.04967	1.1
107.08590	2.7
109.06505	2.0
109.10181	2.8
113.63457	0.5
117.07029	0.7
119.01904	0.9
119.08569	3.5
121.06487	0.8
121.10159	2.2
123.08060	0.8
123.11719	0.7
125.09668	0.7
129.06990	0.9
131.08559	1.5
133.10147	2.3
135.08080	0.8
135.11713	1.3
137.02318	0.9
137.13309	0.7
139.03917	1.5
143.08556	1.3
145.02805	0.7
145.10124	1.9
147.04430	0.7
147.11688	1.7
149.02310	1.0
149.09598	1.5
157.10144	1.7
159.11703	1.4
161.09547	0.8
163.11166	0.8
165.01797	0.7
165.05470	3.5
165.09154	1.5
167.03296	0.8
171.11702	0.9
173.13258	1.6
177.05537	2.8
177.45882	0.6
191.06943	1.2
193.05052	1.3
207.06534	13.0
208.07314	15.9
219.06534	1.0
221.05197	0.7
227.05351	0.9
271.04068	1.2
285.08008	0.7
287.05563	7.5
299.05615	3.4
339.17587	2.6
381.13907	1.2
381.18823	25.1
382.19629	0.8
425.17816	100.0
425.24835	8.6
426.17929	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	425.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
65.03936	0.4
67.05496	2.0
69.07069	1.3
69.53441	0.4
69.98206	2.2
71.04974	0.7
79.05528	0.8
81.03400	0.6
81.07058	1.5
81.17905	0.4
91.05484	2.7
93.07034	2.1
95.08617	1.0
98.21394	0.6
105.07028	2.9
105.38036	0.5
107.04958	1.1
107.08588	1.3
109.06541	0.5
109.10163	2.9
115.05438	0.5
117.06995	1.1
119.04958	0.5
119.08586	2.3
121.02882	0.5
121.06493	1.5
121.10139	1.2
123.04417	0.8
123.08070	0.5
123.11687	0.8
125.06003	0.7
127.11211	2.2
131.04939	1.9
131.08574	1.3
133.10133	1.4
135.04369	0.5
137.02356	9.5
137.03403	0.7
139.03896	1.2
141.01848	0.8
144.05734	0.7
145.10141	5.6
147.04417	1.0
147.11732	0.6
149.02351	9.7
151.03906	2.0
155.08536	4.0
158.01564	0.5
158.07274	2.5
159.04445	1.0
159.08052	1.8
159.11693	1.6
161.05986	1.4
161.13298	0.6
163.03906	0.8
164.04715	1.3
165.01834	5.9
165.05461	0.8
167.03416	6.6
169.08612	5.3
171.04512	0.7
173.09599	0.8
175.03906	3.7
176.04764	0.5
177.05486	5.0
179.03418	0.8
181.08592	1.7
183.02898	2.3
183.07996	2.5
185.06024	0.7
187.03915	1.1
191.07048	2.2
192.04160	1.0
195.02940	0.7
197.06146	0.6
201.09091	1.9
201.16412	4.1
203.03398	0.6
203.07115	2.2
205.04979	6.2
207.06558	14.5
208.68561	0.6
211.07545	25.2
213.05287	0.6
214.06233	3.2
217.08601	0.6
219.06679	0.6
219.14572	0.5
229.08618	32.3
230.08937	0.7
231.13918	1.1
239.07043	12.7
242.05786	3.4
257.08105	100.0
258.08441	2.3
267.10086	1.0
269.08124	1.1
273.14886	10.1
285.07599	0.7
285.11310	0.4
301.07034	4.6
309.11163	0.6
407.22162	1.7
425.15930	19.6
425.22696	1.3
426.16156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05499	0.6
67.05502	1.2
68.99799	0.4
69.07068	1.3
69.30361	2.9
77.03908	0.5
79.05495	1.1
81.03421	0.3
81.07057	1.6
84.77672	0.4
91.05468	2.8
91.80708	0.3
93.07056	0.8
95.01335	0.7
95.04963	0.4
95.08624	0.6
98.20763	0.7
105.03354	0.6
105.07028	1.7
107.04935	0.9
107.08620	1.1
108.05743	0.4
109.02877	0.6
109.06538	1.6
109.10110	0.6
115.05477	0.4
117.07024	0.8
119.04932	0.6
119.08614	2.1
121.02872	0.8
121.06488	0.5
123.00776	0.5
123.11709	0.5
124.05240	2.5
128.06204	0.6
129.06993	1.8
131.04964	0.4
131.08560	0.9
133.02861	0.8
133.10132	0.6
135.04419	0.5
135.08031	0.4
135.11690	0.4
137.02324	0.4
139.07547	7.4
139.11209	0.8
144.05678	0.8
145.06502	0.4
145.10117	1.7
147.04398	2.2
147.08028	2.7
149.02354	4.3
149.06003	1.8
149.09546	0.3
151.03900	1.4
153.05449	0.4
157.06499	1.0
158.07265	0.4
159.04486	0.3
159.08078	0.4
159.11668	0.7
160.05182	0.7
161.02342	7.3
161.05963	3.3
163.03896	1.4
165.01857	9.9
167.03349	1.8
167.07036	1.6
167.90614	0.3
173.13358	0.4
175.03944	1.4
175.07527	1.4
177.01868	0.6
177.05449	2.2
179.03413	1.2
181.05003	1.2
183.02892	2.9
185.05992	4.3
187.03906	2.9
187.07588	0.4
188.04749	0.5
193.05014	0.5
195.06529	2.0
201.05479	0.4
201.09082	0.6
201.16414	1.0
203.07043	100.0
204.07402	1.1
205.04991	1.8
207.06480	0.9
213.05565	0.5
219.06511	1.0
223.06027	5.7
227.07108	0.5
229.08688	0.5
231.06560	0.6
243.06429	0.8
253.08588	0.5
257.08044	0.6
269.08069	1.1
271.09665	0.7
285.07541	2.4
287.12878	1.6
293.08017	0.6
297.07794	0.4
299.05301	0.4
301.08459	0.4
309.07632	0.4
317.08313	0.5
319.09723	0.6
321.04034	0.4
321.07632	0.6
323.12827	0.7
325.06943	0.5
333.07602	0.8
335.09158	0.7
337.07126	0.4
345.07559	0.8
345.11258	0.9
347.09210	1.1
348.09927	0.7
349.07126	1.3
351.12198	1.6
361.10715	0.9
363.08487	2.0
363.12350	4.3
364.09393	0.9
377.06674	0.6
379.07370	0.5
379.11810	5.5
381.13364	1.0
393.09521	0.7
407.11288	28.0
407.22357	1.3
408.11578	0.4
425.19373	6.1
425.24286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1234
Annotation	demethylkotanin
Peak:m/z	Relative Intensity
51.04974	0.5
51.24675	0.5
53.03930	0.9
55.01875	0.6
55.05503	1.3
56.96560	0.6
61.20660	0.5
67.05484	1.3
68.99802	0.8
69.03424	1.1
69.07080	1.2
69.25054	5.5
70.06595	0.7
79.05497	3.5
81.07062	2.2
83.04976	0.9
83.14009	0.5
84.08137	1.2
91.05484	1.8
93.07047	2.0
95.04939	1.3
95.08608	2.0
97.06522	0.5
100.11284	0.6
103.31357	0.6
103.54028	0.5
105.03383	1.8
105.07047	3.1
107.04969	3.8
107.08595	1.2
109.02893	0.8
109.10155	2.1
115.05450	0.7
117.07028	1.4
119.04989	1.2
119.08588	2.4
121.06499	0.8
121.10151	0.7
123.04444	0.6
123.11713	0.5
128.06236	0.7
128.07079	0.7
129.07008	1.6
131.08572	1.1
133.10132	0.9
134.19925	0.6
135.04387	0.8
135.11618	0.7
137.02347	2.1
137.05998	1.0
139.03882	1.2
142.44962	0.6
143.08585	0.7
145.02864	0.6
145.06473	1.4
145.10124	1.7
147.04390	1.9
147.11763	0.9
148.05199	0.7
149.02379	2.2
149.05978	3.0
151.03943	1.5
151.07498	0.8
153.05466	0.8
153.07106	0.5
154.08640	0.9
155.04938	0.6
157.06497	3.1
157.10201	0.5
159.11685	0.6
161.06004	0.7
163.03889	1.3
165.01846	6.1
165.06992	0.9
165.09108	1.1
167.03429	1.5
169.06528	0.8
173.05995	2.0
175.03860	1.7
177.05496	3.3
179.03401	3.8
179.07039	1.4
181.04993	1.3
181.06506	0.8
183.02907	1.9
185.05994	3.8
187.03961	1.3
189.05540	1.1
189.07005	0.6
190.02718	0.6
191.03452	0.8
191.07037	2.6
191.08580	0.6
193.04999	0.7
194.11768	1.1
195.08083	0.7
199.03909	0.8
201.05444	3.3
202.07887	0.8
203.03416	1.6
203.08673	0.8
205.05037	2.6
211.07481	1.1
212.69289	0.7
213.05511	0.9
219.06459	1.2
223.07622	0.6
224.04779	0.8
231.08064	0.7
233.04382	4.4
235.07773	0.5
236.04799	0.5
237.05344	1.0
239.03569	0.7
239.07066	2.3
241.05006	1.5
241.08522	0.6
243.06404	1.0
246.09651	0.5
247.07587	1.0
248.08347	1.8
248.98984	0.5
249.05571	0.6
251.07063	1.9
252.04164	1.6
253.04961	1.3
257.04456	0.7
257.08093	0.7
259.07800	0.9
260.08405	0.5
261.05554	1.0
262.06360	0.6
263.07147	0.9
263.10464	0.5
265.04956	0.7
265.08585	0.6
267.03610	1.0
267.06537	7.5
269.04456	2.9
269.08014	1.3
271.06049	1.2
275.07016	1.3
276.07629	2.7
277.08606	1.1
279.06601	2.0
280.03680	1.6
281.04401	1.1
282.05267	1.1
283.06030	1.1
285.07455	3.4
287.05399	9.2
290.09412	0.6
291.06818	1.1
291.10178	2.0
293.04584	0.9
293.08096	1.0
295.06073	3.9
297.07471	1.3
299.05505	3.6
303.06552	1.4
304.07297	3.6
305.08017	1.2
306.05164	0.6
307.05966	2.6
307.09238	0.7
308.03183	1.1
308.06534	0.7
309.04111	0.7
309.07578	0.8
309.11240	1.1
310.04889	0.9
311.05444	1.9
311.08868	0.6
315.06552	0.7
317.08240	1.0
319.05969	1.4
319.09717	2.5
321.04123	0.6
321.07611	1.3
322.08139	1.3
323.05551	20.1
323.08963	1.1
324.06155	1.3
325.07098	3.1
331.06189	0.8
332.06821	2.4
333.07538	2.9
335.05582	5.3
335.09085	1.2
337.06937	1.2
337.10776	3.3
345.07358	0.6
347.05692	0.9
347.09250	4.1
348.09845	1.1
349.07086	1.4
349.10941	0.7
350.07892	2.9
351.08664	1.2
360.06213	0.9
361.06900	1.1
361.10803	1.4
362.07947	0.7
363.08633	2.1
364.09402	1.5
365.10233	15.5
366.10718	0.7
375.08710	6.6
379.07919	1.2
381.09644	1.4
383.11414	1.5
393.09689	34.3
394.10544	2.7
397.12741	3.0
407.11530	3.3
407.18405	2.4
424.36719	1.0
425.12341	100.0
426.12665	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.96566	1.2
67.05499	1.9
69.07055	1.8
69.45076	4.6
71.04982	1.8
71.85553	0.5
79.05492	2.2
81.07061	3.1
91.05483	2.7
93.07037	1.8
95.04973	0.7
95.08609	2.7
96.08907	0.7
103.05424	0.8
105.03409	0.7
105.07014	3.6
107.04961	1.5
107.08598	2.5
109.10155	3.0
117.06966	1.0
119.08617	4.7
121.06567	1.2
121.10168	1.7
123.08086	0.8
123.11708	1.0
125.05971	1.1
127.11177	2.1
128.06203	1.5
129.07028	1.3
131.04959	0.7
131.08554	1.4
133.10123	1.7
135.04454	1.0
137.02312	1.2
139.03917	0.7
145.06488	1.3
145.10138	5.0
147.04413	1.8
147.11688	1.0
149.02351	11.1
149.05975	2.5
158.00189	0.7
159.04514	1.0
159.11781	0.7
161.05951	2.0
163.03961	1.2
164.04741	0.9
165.01846	1.9
165.05453	0.8
167.03426	8.1
169.00670	0.7
171.08150	0.8
173.06035	0.9
175.07483	1.4
177.05502	4.2
177.06812	0.8
179.03371	1.3
181.04950	6.2
181.35194	0.6
183.02898	0.9
183.08066	0.7
185.05983	2.7
187.03912	10.0
187.07474	1.2
192.04150	1.6
193.04962	0.7
197.05984	0.8
199.07498	1.0
201.05479	0.8
201.09065	1.5
201.16348	1.2
205.04959	4.6
207.06535	19.2
213.05527	1.2
219.17389	0.9
221.08037	1.0
225.05577	0.8
227.07060	2.2
233.04420	1.3
239.07077	1.0
243.06599	2.1
251.07207	1.5
253.05066	1.2
253.08623	0.8
255.06581	0.7
257.08032	1.0
261.09082	1.2
263.06784	0.8
267.06610	1.5
269.05414	1.1
269.08060	6.0
275.07169	0.8
277.08783	0.9
281.07883	1.0
285.07431	0.8
287.05515	1.9
289.08762	0.8
299.05469	1.6
301.08444	0.8
303.06424	0.8
304.07355	1.3
305.08157	1.5
307.09589	1.6
309.07669	1.6
317.08093	0.7
319.06137	0.9
319.09616	3.4
321.04016	1.2
321.07520	1.7
323.12854	1.6
325.07162	1.4
325.10779	1.3
327.08835	0.6
329.08121	1.9
333.04175	0.7
333.07611	3.6
333.11172	1.1
335.09097	3.3
336.09970	1.0
337.07187	1.1
345.07642	1.8
345.11295	2.3
347.09180	4.0
348.06195	0.7
348.09937	2.3
349.07199	3.7
351.12198	4.8
361.10797	2.2
363.08487	6.1
363.12375	17.9
364.09467	1.8
377.06595	1.5
379.11780	17.3
380.12012	0.8
381.13376	2.9
389.17548	1.7
407.11288	100.0
408.11395	3.2
424.36807	1.6
425.12411	1.9
425.19324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1231
Annotation	demethylkotanin
Peak:m/z	Relative Intensity
53.45249	0.8
55.01872	1.0
55.05508	2.1
65.03932	0.8
67.05492	2.9
68.99808	0.8
69.07061	2.2
69.81147	5.2
75.10588	0.9
79.05498	5.5
79.05886	0.8
81.07047	4.9
83.08615	1.6
91.05476	3.9
93.07047	3.5
95.04987	1.2
95.08611	6.3
96.08929	1.0
98.48232	0.8
105.03378	1.3
105.07039	4.6
105.40242	0.7
106.07399	1.4
107.04961	4.9
107.08572	5.2
109.10174	5.1
110.10474	1.1
115.05471	2.1
117.07012	2.0
119.08601	3.7
120.08929	1.3
121.10123	4.0
122.10458	0.9
123.08015	1.2
123.11709	1.9
125.05999	1.6
127.11225	1.0
128.06264	1.7
129.06969	2.2
131.08629	1.7
133.10150	2.7
134.03619	0.8
134.10558	1.4
135.04436	1.0
135.08060	1.1
135.11758	1.5
137.02342	4.0
139.07530	1.1
141.06927	1.1
145.02882	0.8
145.06488	3.2
145.10121	2.3
146.10432	1.5
147.04417	2.1
147.11679	1.0
149.02280	3.9
149.05978	7.4
149.13280	1.9
150.13635	1.1
151.07555	1.2
153.05492	3.0
155.04924	1.2
157.06523	2.2
159.11688	2.4
161.05995	1.0
161.13261	1.4
163.03937	1.1
163.14857	1.5
164.15327	0.9
165.01807	1.1
165.06946	0.9
167.03423	1.8
167.07036	2.9
167.08437	1.3
169.10172	1.1
171.11719	1.2
173.06009	3.2
173.13350	1.3
175.03903	2.2
175.14851	1.6
177.05527	3.2
177.16457	1.2
179.07051	1.0
181.04915	1.4
183.11838	0.8
185.05957	4.4
185.13231	1.1
187.03937	1.7
189.05605	1.3
190.16754	1.4
191.03433	1.7
193.05040	1.8
195.08031	0.9
197.05939	0.9
199.15013	0.8
201.05521	5.4
202.07819	1.0
202.16837	0.9
203.03531	1.4
203.17938	1.2
205.04950	5.8
207.06544	3.4
209.09496	1.0
211.07524	1.8
213.05392	1.2
219.06525	3.3
225.05424	1.2
229.05066	1.1
233.04300	4.3
235.07454	0.9
239.07100	1.4
241.05121	1.0
243.06551	1.1
248.08337	1.6
251.05385	2.6
251.07622	1.1
253.04977	0.9
254.05826	0.9
259.05750	1.2
265.05029	1.2
267.02817	1.0
267.06616	2.8
269.04547	3.8
275.07193	2.3
276.07797	2.3
279.06601	1.6
281.04340	1.7
282.05124	1.0
283.05923	1.0
287.05423	16.6
291.06662	1.8
291.10114	1.8
293.07941	1.2
295.05927	4.7
297.07495	1.2
299.05521	5.4
303.06808	1.0
304.07333	3.3
305.07968	1.2
307.05984	2.7
308.03122	1.3
311.05515	1.8
319.06213	1.1
319.09671	2.1
322.08481	2.4
323.05557	20.5
323.09048	1.0
324.06232	1.4
325.07059	3.6
330.09198	0.9
332.06827	2.5
333.07788	1.1
335.05533	8.0
335.09155	1.4
337.06979	1.2
337.10721	2.4
347.09131	3.6
349.06940	1.3
350.07901	2.8
351.08810	1.2
360.06091	2.2
361.10889	1.9
363.08600	2.2
364.09265	1.0
365.10229	13.5
375.08664	6.5
379.11734	1.7
383.11063	1.9
393.09695	36.8
393.14783	1.9
394.10364	1.5
397.12738	5.0
406.35532	1.5
407.11334	3.6
424.36581	7.5
425.12338	100.0
425.37045	2.2
426.12762	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	425.1233
Annotation	5-Methoxyjusticidin A
Peak:m/z	Relative Intensity
53.03862	0.7
55.01775	0.6
55.05413	0.7
68.99680	1.3
69.00007	0.9
69.06981	0.6
70.52376	1.7
71.70098	0.5
79.05354	4.3
79.05849	0.8
81.03304	0.7
81.06915	1.9
83.04858	0.7
91.05337	2.4
93.06929	1.1
95.04882	1.1
95.08508	0.7
96.65110	0.6
105.03283	1.3
105.06888	1.1
107.04791	6.2
107.84776	0.5
109.10053	0.8
115.05364	0.8
117.06915	1.4
119.04842	1.2
119.08458	0.8
121.06391	0.8
121.10002	0.6
123.04288	0.9
129.06876	1.1
131.04794	1.2
133.09892	0.7
135.04315	1.2
137.02245	1.2
139.03743	1.1
145.02701	1.3
145.06375	1.5
147.04420	14.5
148.05025	0.8
149.02216	1.1
149.05864	1.2
151.03818	1.3
151.07358	0.9
153.05299	0.8
159.04254	1.9
162.02989	1.3
163.03712	2.2
163.07384	0.7
165.01746	0.9
165.05368	0.7
165.06766	0.6
167.03302	0.6
169.06401	0.6
173.05836	1.7
175.03952	2.6
175.07462	0.7
176.04700	6.0
177.05486	3.4
178.06242	3.3
179.06912	0.7
181.04823	0.7
185.05853	1.2
187.03712	2.1
189.01712	0.7
189.05379	1.1
191.07042	43.6
191.08742	1.4
192.07402	0.9
193.04807	2.3
197.05962	0.7
201.05281	2.1
203.03239	1.0
203.06873	1.6
205.04836	0.8
207.06242	0.7
213.05371	1.3
215.03299	0.8
215.06839	0.9
215.14247	0.6
216.04080	1.1
219.06488	2.7
227.06775	0.6
227.72824	0.5
229.04799	1.6
229.08453	1.1
231.06514	7.1
233.04364	0.7
237.05403	0.7
239.03365	0.7
239.07056	0.7
243.06586	0.7
245.07982	0.8
247.07468	0.7
249.08907	1.1
253.05020	0.7
255.06361	0.7
257.08057	1.8
259.06003	5.1
261.08887	0.9
267.06369	0.7
268.07025	0.6
269.04184	0.9
269.08014	1.0
269.11716	1.1
271.05872	1.6
277.08664	0.7
279.06622	1.0
279.09995	0.6
281.04333	0.7
281.08356	0.7
283.05893	2.2
283.08936	0.8
284.06470	0.6
285.07230	0.7
287.05444	6.5
291.06482	1.0
293.07962	1.1
294.05023	0.6
295.05917	1.9
297.03760	0.9
297.07233	0.6
299.05374	5.4
299.08810	1.0
305.08109	1.4
307.05954	0.6
307.09421	1.1
309.11063	0.8
310.04794	0.6
311.05435	2.9
312.06140	1.3
313.07077	3.0
314.07785	1.5
319.05933	2.2
319.09512	1.3
320.06708	0.7
321.07571	0.7
322.08255	0.8
323.05585	0.9
325.06918	2.2
325.10443	0.8
327.04990	0.9
327.08658	10.6
327.12491	1.0
333.07733	1.0
335.09195	1.2
336.09891	0.9
337.06967	1.3
337.10709	2.7
339.08575	2.8
347.05444	0.8
348.10172	0.7
350.07886	1.3
351.08450	2.8
351.12280	1.8
353.10110	2.4
355.08145	1.0
362.07907	1.1
363.08594	4.3
364.09326	1.0
365.06738	0.7
365.10190	4.7
369.13223	6.5
379.08337	0.8
379.11819	4.3
381.09744	0.7
393.09750	3.3
394.10379	3.5
397.12848	100.0
398.13211	2.4
407.11511	1.1
410.10165	1.6
425.12375	53.7
426.12830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1233
Annotation	demethylkotanin
Peak:m/z	Relative Intensity
53.03932	3.4
55.01863	4.8
55.05496	1.3
65.03939	1.5
67.01861	1.6
67.05493	2.5
68.99803	2.2
69.25482	5.9
69.25914	6.1
79.05489	8.2
81.03415	2.3
81.07066	2.2
83.01350	4.0
83.04950	1.8
85.02891	1.8
91.05492	5.1
93.07011	1.7
94.04208	1.7
95.01331	2.8
95.04979	6.5
98.97603	2.2
103.05491	2.0
105.03393	4.2
105.07038	5.2
107.04968	10.3
109.06551	1.8
109.10141	2.2
110.03674	7.7
115.05507	7.5
116.06299	1.9
117.07022	3.6
118.23322	1.2
119.04940	3.0
121.02839	2.7
121.10227	1.6
123.00806	2.3
123.04446	4.1
123.11723	2.8
125.02340	1.5
125.05998	10.8
128.06230	5.9
129.06995	5.5
131.04929	5.4
133.02899	2.1
135.04433	2.0
135.08041	1.6
138.03145	2.2
139.03903	1.4
139.05408	1.5
141.05446	7.2
141.06999	5.2
142.07658	1.5
143.08546	2.7
144.05711	2.7
145.06483	5.7
147.04420	4.4
149.02412	7.8
151.03925	2.0
151.07529	3.8
151.11168	1.4
152.06197	2.4
153.05602	7.2
153.07002	6.2
154.07793	3.1
155.04909	3.7
155.06084	1.6
155.08588	11.1
157.06502	5.8
158.07341	1.5
159.04439	23.5
159.08047	2.0
161.05965	4.6
163.03932	5.6
165.07001	13.6
165.09155	1.3
167.03412	6.2
168.05716	7.0
169.04980	9.6
169.06506	10.7
170.07265	3.5
171.04436	5.7
171.08035	2.4
173.06055	4.8
175.03928	21.8
175.07582	2.0
176.04657	2.5
177.05495	2.6
179.03455	6.4
181.04985	63.2
181.06430	4.1
182.07196	1.6
183.04417	1.8
183.08066	9.2
184.05237	2.9
185.05995	8.9
187.03955	12.0
187.07539	3.9
189.05473	14.7
191.03545	1.6
191.07047	1.5
193.04968	3.2
194.05803	8.6
195.02922	3.2
197.05971	4.8
198.06807	3.2
199.03922	4.4
199.07619	4.7
201.05461	5.6
201.09158	5.4
203.03609	2.0
203.07045	2.7
205.05019	4.2
207.06494	3.0
210.06900	3.3
211.07542	21.7
213.05478	4.3
217.05017	2.5
217.08600	5.9
219.06444	3.4
225.05443	6.4
226.06277	3.2
227.07158	9.1
229.05135	1.5
229.08635	38.2
239.07080	6.2
240.14771	1.5
243.06346	1.6
245.08081	13.3
251.06763	1.7
257.08112	100.0
258.08432	2.2
263.07263	2.3
265.08521	2.1
267.06635	2.2
269.08142	2.7
275.09189	64.7
279.06610	3.1
283.06046	2.4
287.05441	4.2
289.08374	1.9
291.06662	1.6
291.10175	2.7
294.08899	2.3
295.06058	2.9
296.06815	1.4
297.07584	2.6
298.10800	5.3
299.05740	2.9
299.08936	2.6
311.09198	5.5
323.09012	2.2
334.08371	1.6
337.10760	6.8
347.09204	4.0
350.08066	1.9
353.13629	2.1
363.12384	1.8
365.10333	5.0
379.11954	2.9
381.09018	2.6
381.13409	29.5
389.17380	2.6
393.09790	3.2
397.12930	20.7
407.11282	6.3
425.12354	79.0
425.25052	2.8
426.12515	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.8
57.07069	2.1
62.41838	1.1
65.03931	5.1
67.05511	9.9
69.07074	10.0
69.14044	1.1
69.24904	6.2
69.25329	4.6
71.05007	1.1
71.15894	1.2
79.05492	7.4
81.07079	11.0
83.08599	2.2
90.52265	1.1
91.05488	14.2
93.03407	3.4
93.07063	10.6
95.01333	1.1
95.04991	1.9
95.08623	9.3
97.06494	1.1
99.04470	1.4
103.05441	1.2
105.03389	1.2
105.07040	13.6
107.04987	2.7
107.08600	10.1
109.06491	4.6
109.10161	12.9
115.05451	1.6
117.06998	6.2
119.04919	1.8
119.08583	19.0
121.02847	3.6
121.06532	8.4
121.10161	5.9
123.04452	2.4
123.08064	1.5
123.11700	4.6
124.05250	3.5
125.05959	2.2
125.09644	1.7
128.06212	1.8
129.07031	5.2
130.07765	2.2
131.01291	3.8
131.05005	1.3
131.08559	8.5
133.06490	1.4
133.10146	5.9
135.04445	2.6
135.08020	2.4
135.11714	3.1
137.05960	2.6
137.09592	1.3
139.07578	6.5
143.08614	2.1
145.02893	2.0
145.10147	23.8
147.04434	6.1
147.08028	4.4
147.11659	3.6
149.02353	76.5
149.05969	3.5
151.03903	9.5
151.07634	1.4
155.08434	1.5
157.06482	3.2
157.10129	1.3
159.11691	13.8
161.02344	11.2
161.06007	6.2
161.13211	2.0
163.03920	21.2
163.07623	1.6
164.04704	2.9
165.01874	8.0
165.05495	1.4
165.06970	2.4
167.03416	89.7
167.07076	2.2
173.11984	1.3
173.13251	7.9
175.03883	3.0
175.07523	3.8
177.05479	31.7
179.03474	1.3
181.01184	1.2
181.04947	2.3
183.02965	3.1
185.05992	7.0
187.03915	4.6
189.05516	5.0
191.03398	1.7
191.07028	1.9
192.04181	2.1
193.05035	2.2
195.06451	2.7
197.05927	1.9
201.05492	2.6
201.16399	24.5
203.07042	100.0
203.17944	1.8
204.07237	1.4
205.04970	43.1
206.05537	1.4
207.06538	42.7
213.05472	3.5
215.06996	4.2
217.91367	1.5
219.06529	3.9
219.17453	2.4
223.06027	4.9
227.07018	1.9
231.06538	2.3
239.06982	2.0
245.08195	1.3
251.07179	7.7
253.08664	3.0
257.08066	2.9
267.06619	6.4
269.08115	13.2
271.13364	4.9
285.07611	22.2
287.05563	1.3
287.12827	8.6
289.14346	1.9
299.05560	2.0
305.13977	5.4
307.09860	1.7
323.12708	1.7
325.14343	1.4
333.07608	1.8
333.11172	1.4
345.07526	1.2
349.06824	1.7
351.12213	2.7
363.08307	1.9
363.12271	4.8
371.00980	1.5
374.17038	1.3
379.11697	5.1
389.17560	2.9
397.12732	1.1
407.11304	27.4
407.18201	5.3
407.22794	15.8
424.31427	1.7
425.18945	48.6
433.73596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31783	1.0
53.03933	2.6
53.91172	0.9
55.01876	5.2
55.05489	2.2
65.03947	1.5
67.05505	3.8
68.99791	2.9
69.03414	1.7
69.07056	1.2
71.58010	1.1
71.58456	2.1
77.03944	2.4
79.01873	1.5
79.05493	10.2
81.03427	2.7
81.07078	5.4
82.04185	1.5
83.01345	4.6
83.04983	2.0
85.02909	1.9
91.05497	6.2
93.07049	3.4
94.04204	1.2
95.01323	4.7
95.04972	5.8
95.08620	2.6
97.06530	1.8
98.97616	1.8
103.05483	3.2
105.03414	6.8
105.07049	4.7
107.01351	1.1
107.04958	12.6
107.08595	1.5
109.02885	2.0
109.06500	1.8
109.10155	2.6
110.03669	10.2
111.00806	2.3
111.04431	1.4
115.05447	10.4
117.07015	5.3
119.04951	2.7
119.08590	3.3
121.02911	2.1
121.06493	1.0
121.10164	1.1
122.03696	1.0
123.00823	1.2
123.04461	4.7
123.08042	0.9
123.11691	2.1
125.02383	1.8
125.05989	11.2
126.03146	1.8
128.06227	7.9
129.07011	11.0
131.04939	5.1
131.08635	2.0
133.02841	2.9
133.06502	1.9
133.10153	2.1
135.04437	1.4
137.02354	2.2
138.03088	2.7
139.03909	2.4
141.05469	8.4
141.07011	5.8
143.04939	1.7
143.08586	2.3
144.05679	2.1
145.02841	1.5
145.06525	5.9
145.10159	2.6
147.04373	7.2
149.02322	8.4
149.06009	2.4
151.03925	1.5
151.07571	3.0
151.11201	1.5
152.06235	4.3
153.05501	10.1
153.07005	11.0
154.07819	3.8
155.04927	4.0
155.05933	1.8
155.08569	9.9
157.06525	7.2
158.07263	1.9
159.04420	24.9
159.08076	1.9
159.11722	1.1
160.05215	1.3
161.02390	1.7
161.06003	3.8
162.03099	1.1
163.03905	4.2
165.01846	2.6
165.05637	1.4
165.07010	13.8
165.09096	1.7
166.07811	1.1
167.03406	7.1
168.05716	8.6
169.04985	11.0
169.06517	11.4
170.07266	6.3
171.04391	6.3
171.08102	2.8
173.05995	8.6
173.07350	1.2
174.06644	1.1
175.03928	23.4
175.07573	2.0
176.04703	1.2
177.05504	2.6
179.03418	6.6
179.07069	2.3
181.04968	73.4
181.06348	4.0
182.07297	1.4
183.02858	0.9
183.04491	2.5
183.08061	11.0
184.05234	3.7
185.05980	8.5
187.03915	13.9
187.07445	4.5
189.05493	14.8
191.03413	1.2
191.07039	2.7
192.04172	1.4
193.04979	4.1
193.06523	2.2
194.05745	10.2
194.07314	2.0
195.02859	6.9
195.08034	1.8
196.05254	1.2
197.05917	6.0
198.06792	3.6
199.03969	2.7
199.07573	5.1
200.04677	1.9
201.05432	7.2
201.09116	5.1
202.07924	1.2
203.03374	1.4
203.07037	1.7
205.05008	3.4
207.06548	5.7
207.08261	1.4
209.06108	1.6
210.06761	2.1
211.07562	25.8
213.05507	4.1
214.06332	1.4
215.03392	1.2
215.07076	2.5
217.05014	2.8
217.08572	7.8
219.06458	5.7
225.05534	6.8
226.06209	5.1
227.07013	7.6
229.05132	1.9
229.08606	44.3
233.04573	1.6
235.07750	1.2
238.06244	1.2
239.03383	1.1
239.07034	7.9
243.06570	1.6
245.08020	15.0
250.06172	1.1
253.05099	1.1
254.05812	1.3
255.06447	1.7
257.08096	100.0
258.08557	1.6
263.07089	4.2
265.08704	2.7
267.06528	3.0
269.08145	3.5
271.05972	2.0
273.07608	1.6
275.09155	93.9
277.08554	2.0
279.06583	3.8
283.06064	1.5
285.07623	1.6
287.05554	7.7
289.08600	1.3
291.06454	2.4
291.10049	1.4
293.04599	1.1
293.08209	2.1
294.09015	2.6
295.06055	3.9
297.07648	2.4
298.10834	4.5
299.05554	5.4
299.09210	3.5
305.08160	2.1
307.06238	1.8
307.09537	1.3
309.07611	2.2
309.11124	2.3
311.05719	1.9
311.08978	5.3
318.08905	1.0
319.09763	2.1
321.07602	1.9
321.11276	1.3
322.08362	2.4
323.05762	1.3
323.09274	2.8
325.07092	1.7
333.11578	1.3
335.09253	2.0
337.07156	2.0
337.10712	11.2
338.11285	1.0
339.08646	1.4
347.09152	3.7
348.09988	1.3
349.02252	1.3
350.07669	1.6
351.08548	1.2
351.12360	2.2
353.10223	1.2
353.14017	3.6
361.10782	1.8
363.12335	2.5
364.09302	1.3
365.10312	7.1
367.08249	1.1
369.13303	1.7
375.08871	1.5
379.11923	6.2
381.13333	31.2
383.11261	1.0
389.05655	1.0
389.10236	2.3
389.17551	2.5
393.09952	5.2
395.11264	2.6
397.12814	23.1
407.11365	8.7
407.16177	1.1
407.18689	1.4
410.10260	1.7
425.12372	96.8
425.18015	3.9
425.25122	5.1
426.12610	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	425.1235
Annotation	demethylkotanin
Peak:m/z	Relative Intensity
53.03962	2.9
55.01887	2.6
55.05508	9.0
56.96564	6.2
59.04991	7.0
65.03948	4.7
67.05508	15.2
69.03433	7.1
69.07080	16.7
69.43439	19.9
71.04985	5.2
79.05496	15.6
81.07059	25.9
81.48608	2.4
83.04986	3.8
83.08613	2.8
84.08131	8.3
91.05478	27.8
93.07040	13.8
95.01303	4.0
95.04962	6.2
95.08599	27.9
96.08938	3.5
98.20728	5.3
98.97577	3.2
103.05473	3.3
104.56316	2.8
105.03404	3.0
105.07037	21.7
107.04957	5.3
107.08607	18.0
108.08909	3.2
109.06535	8.3
109.10164	36.2
110.03667	6.3
110.10519	3.2
111.08093	5.8
117.07017	6.0
119.04994	3.3
119.08576	14.7
121.02865	4.4
121.06526	4.9
121.10144	12.5
123.04410	13.5
123.08102	3.5
123.11707	11.2
124.05222	3.4
125.06006	17.8
127.11169	6.4
129.06995	4.2
131.04956	2.6
131.08565	9.3
133.10172	12.4
134.03648	5.7
135.04382	3.0
135.08058	5.6
135.11714	7.8
137.09557	3.1
137.13274	7.4
139.07576	10.8
141.01797	3.1
143.08586	4.7
145.02829	2.9
145.10115	9.1
146.03566	2.9
147.04417	3.4
147.08070	3.4
147.11699	9.6
149.02347	14.2
149.05981	76.4
149.09639	3.9
151.03900	9.6
151.07565	9.7
151.11206	3.1
153.05476	27.4
155.08598	3.4
157.10161	5.8
159.11746	6.3
161.02325	7.3
161.09583	3.5
161.13300	5.8
162.03128	3.2
163.03897	14.9
164.04671	6.0
165.01859	47.5
165.05431	6.4
165.09090	13.3
167.03458	13.4
167.07057	66.6
167.08449	3.5
169.04985	7.3
171.11752	3.1
173.06049	4.1
173.13194	3.1
175.03923	6.6
175.07571	11.0
176.04694	7.9
177.05481	34.5
179.03419	9.0
179.07037	9.1
183.02921	20.4
187.03981	4.1
187.07486	4.0
191.03432	19.0
191.07111	4.1
193.04962	26.6
197.06006	3.7
199.14897	3.3
201.05505	6.2
201.16336	5.6
203.03453	7.5
203.07057	8.6
203.14346	3.4
203.18021	9.6
205.04977	99.4
207.02921	3.8
207.06546	30.5
211.07466	6.1
216.18056	3.0
216.20052	2.8
219.06532	100.0
221.04489	10.1
229.08638	7.5
233.04480	6.8
235.07622	4.0
239.07106	5.4
241.08710	3.3
243.06549	3.1
247.06140	5.2
251.05179	25.9
253.08694	6.4
255.10194	6.3
257.08066	25.4
259.06073	6.0
263.07089	6.9
265.04971	7.3
265.08728	6.0
267.06659	10.3
269.08121	48.6
279.06396	3.4
281.07822	3.9
283.09756	8.5
285.07550	15.7
287.05487	4.3
299.05450	3.3
301.10898	3.2
305.04346	5.0
306.05200	4.5
307.06003	5.7
309.11429	4.6
327.12247	3.6
337.10855	5.9
347.09396	3.7
349.07104	16.5
350.07593	4.0
363.08661	8.5
365.10394	6.2
365.17526	9.1
377.06454	3.8
379.11932	5.9
381.13498	8.1
389.17487	19.0
391.07944	5.8
393.09671	9.2
397.12888	55.8
407.11288	61.6
407.18076	21.5
424.36642	5.5
425.12396	94.4
425.19531	16.0
426.12820	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1232
Annotation	5-Methoxyjusticidin A
Peak:m/z	Relative Intensity
53.03940	0.7
57.76323	0.6
58.69003	0.7
68.99795	0.8
69.07072	0.8
71.11292	1.4
75.40788	0.6
79.05504	2.0
81.07005	1.2
83.05008	0.9
86.09693	1.5
91.05480	2.6
93.07035	1.1
94.35720	0.7
95.04980	0.7
105.07062	2.0
107.05001	0.8
107.08614	0.8
119.04978	0.9
119.08611	1.6
121.02823	0.8
121.06554	0.8
121.10130	1.1
128.86807	0.7
128.96176	0.7
129.54778	0.7
131.04910	1.0
133.10136	1.4
134.94536	0.7
135.04431	0.8
141.29588	0.7
145.10181	1.1
145.68637	0.6
147.04445	2.5
147.11684	1.3
149.02348	3.6
151.03932	0.8
151.07549	0.8
159.04489	1.1
159.07980	0.8
161.06036	1.0
163.03949	0.8
165.01855	3.5
165.05545	0.9
167.03407	3.6
176.04755	0.9
177.05490	1.8
181.01352	5.7
187.03905	2.2
191.07022	6.5
193.04971	0.8
201.16394	0.7
203.03403	1.6
203.07005	1.9
205.04979	1.6
205.12566	0.7
207.06442	1.3
211.07530	0.7
229.08398	0.6
239.07100	1.2
240.04277	1.1
241.05016	1.2
253.04904	1.1
255.03047	0.8
257.08163	1.6
263.07037	1.4
267.06503	3.9
268.03659	2.7
269.04462	2.4
269.08102	1.0
277.08438	0.9
279.06580	1.6
280.03708	0.9
281.04550	1.3
281.07983	0.7
282.05267	1.2
283.06012	2.2
283.16928	4.8
284.17148	1.3
285.07565	7.3
291.06650	2.0
292.07156	1.1
293.04684	1.2
293.08136	0.8
294.08868	0.7
295.06256	3.3
295.09329	1.1
296.03125	1.5
297.03891	3.1
297.07291	1.5
299.05518	1.4
303.06531	0.8
304.07541	1.4
304.10983	0.8
305.08176	1.4
307.06088	3.1
307.09433	0.9
308.06763	0.9
309.03928	2.2
311.05600	2.6
311.08951	0.7
312.06335	5.3
317.08011	1.6
319.06088	11.2
319.09665	1.4
320.06595	1.4
321.04108	1.2
321.07709	1.9
322.08316	1.4
323.05646	1.1
323.09097	2.2
325.07156	5.5
327.05093	1.2
332.06882	2.6
333.07349	3.4
334.08371	1.6
335.05472	1.6
335.09189	1.7
336.06250	1.3
337.06995	1.4
337.10721	2.0
339.08582	1.4
339.23233	2.0
340.23538	1.8
347.05527	1.9
347.09207	2.6
348.06271	4.0
348.10110	1.5
349.06821	0.8
349.10611	1.3
350.07932	4.5
351.08704	2.5
361.07016	2.4
362.07758	5.0
363.08630	10.8
365.10236	14.4
366.10541	0.8
379.08121	8.6
381.13559	1.1
393.09692	16.6
394.10468	17.9
395.07578	2.1
397.12936	2.3
407.18512	0.9
410.09851	1.8
425.12323	100.0
426.12634	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	425.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95441	0.7
53.03941	0.5
55.01857	0.6
55.05518	0.5
56.05029	0.6
56.96569	31.7
57.03424	1.9
58.06569	0.6
61.02921	1.1
66.50047	0.5
69.03430	5.2
69.76498	3.1
70.06599	3.9
70.98137	0.7
71.04967	0.8
71.95247	1.4
72.08154	1.5
73.02910	2.2
73.06557	0.5
74.93169	1.6
74.97627	0.6
81.03423	2.2
84.08144	1.7
84.96036	7.8
85.02915	7.9
86.03246	0.7
86.09720	0.5
87.04453	1.3
91.03960	0.5
91.05532	0.6
97.02894	6.3
97.59807	0.5
97.96838	0.5
98.97589	100.0
99.04469	1.3
100.99147	0.8
101.00869	1.3
101.06013	0.6
102.96970	1.0
109.02881	1.0
110.07166	0.6
110.97575	17.1
112.99141	4.6
115.00696	0.7
115.03941	0.7
116.98628	35.2
118.92119	0.7
119.01933	2.0
119.04953	0.8
124.99127	2.9
126.97071	0.9
127.00719	1.6
127.03919	2.2
128.98615	17.4
130.08667	1.2
131.00195	6.1
131.01881	1.2
133.01749	0.6
134.99660	9.5
137.05936	0.7
140.00204	1.5
140.98613	2.6
143.00183	7.9
143.01909	2.1
144.98125	2.0
145.01752	3.6
145.03535	0.5
145.04958	1.3
146.99655	8.0
147.03282	2.7
147.04370	0.8
149.01244	2.3
152.98615	3.2
153.00726	0.6
154.94266	1.3
155.00171	1.0
155.02010	1.3
155.04640	3.2
155.54823	0.8
157.01700	1.0
157.03450	0.7
158.99663	27.7
159.03256	2.0
161.01245	9.4
161.02969	3.4
162.99106	1.8
163.02800	2.1
165.00703	1.2
165.04312	1.0
167.07057	0.8
168.52310	0.5
170.99649	6.8
171.03362	1.6
172.04201	0.6
173.00024	0.6
173.01294	2.5
173.02927	1.7
173.04620	0.9
174.11232	1.0
174.99225	0.8
175.02814	1.2
177.00732	18.4
177.04254	1.1
179.02293	1.5
182.99690	1.1
185.01381	1.1
185.02994	2.3
185.06779	1.0
186.04387	1.0
187.02861	1.3
187.04465	0.7
189.00713	4.3
189.04358	4.7
190.87434	1.2
191.02344	1.9
193.01743	0.9
193.03952	0.7
194.97394	1.8
195.01688	0.9
195.03394	0.9
196.56412	0.6
200.02371	0.9
201.00697	6.6
203.02293	1.1
203.04070	1.0
205.00266	0.7
205.03894	1.5
207.01828	0.7
207.05357	1.2
208.02812	0.6
208.88524	1.7
209.01366	0.6
212.06169	0.6
212.98544	1.1
213.00566	1.3
213.04424	1.7
213.12395	2.1
217.00452	0.6
218.06277	0.9
218.57907	0.7
219.01776	30.0
220.02219	1.1
221.01329	1.8
221.03329	0.6
221.05067	0.8
223.01151	0.9
226.89641	1.1
227.06880	1.3
227.56860	0.8
230.94997	1.2
231.01785	1.0
231.05444	1.9
233.03372	0.7
233.07030	0.8
235.04735	0.7
236.55170	0.7
237.02811	29.9
238.03297	0.9
239.02266	10.1
240.05736	1.5
242.03561	1.2
245.05074	4.7
248.91580	1.1
251.04343	1.8
253.56192	3.1
254.05719	0.9
255.03757	1.3
257.03271	6.0
261.02808	1.2
266.92761	0.9
269.05511	2.4
272.10428	1.1
275.09698	1.1
276.07074	0.8
277.05869	0.8
279.04028	1.9
281.03360	1.5
288.99200	0.7
289.02362	0.6
291.07523	20.5
291.10654	1.0
293.05670	1.0
293.10892	2.6
295.07349	1.0
295.10519	0.8
298.07892	0.6
298.59741	2.0
299.09998	0.7
305.03076	0.9
309.08572	44.6
310.08997	1.6
317.03268	1.3
332.10287	1.9
335.98911	0.8
337.08035	1.7
339.07526	4.2
347.04367	0.8
365.05780	2.9
365.11298	1.6
381.10751	10.0
383.06311	4.2
389.07730	1.6
401.07599	1.6
407.08618	3.6
407.13605	1.1
425.08832	15.2
443.08542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89802	0.8
56.96570	51.0
69.03420	1.8
70.06610	1.0
70.89307	1.2
70.89629	1.5
71.04969	0.8
71.95252	2.3
72.08127	0.8
73.82959	0.8
84.08141	2.2
84.96044	14.3
85.02896	3.2
91.05457	1.0
95.04946	1.7
97.02886	1.3
98.97590	100.0
102.97119	0.8
110.97576	25.2
112.99134	5.7
116.98627	42.2
123.08995	0.8
124.99107	2.7
127.03893	1.1
128.98616	25.1
131.00160	4.4
134.99673	10.1
136.07552	0.9
140.00175	1.2
140.98596	3.5
143.00183	16.8
143.08159	1.1
144.98090	3.5
146.99666	11.3
147.04417	1.8
149.01207	2.2
152.98596	2.6
155.00011	1.2
158.99693	9.9
161.01222	20.6
161.84126	0.8
162.99155	2.8
170.99681	7.9
173.01207	1.0
174.99162	1.1
177.00726	10.8
177.05394	0.9
179.02277	3.3
182.99646	3.6
189.00670	5.3
191.00174	1.8
193.01686	1.5
194.99670	2.6
195.01576	0.8
195.03290	3.7
201.00687	9.5
203.00287	2.4
204.00711	0.9
207.01678	1.9
209.01149	1.6
211.02768	2.3
213.00725	2.0
213.04329	2.0
219.01770	45.4
221.01219	7.3
237.02823	45.8
239.02286	41.4
242.03256	1.6
245.05103	1.0
255.03854	1.6
257.03348	24.5
260.04468	1.1
261.02786	1.8
262.03827	2.0
263.02255	2.2
263.11191	0.9
275.02170	1.3
279.03934	2.0
281.03256	6.1
293.03329	2.6
295.05048	1.1
299.01932	1.7
299.04852	1.3
305.03345	3.4
307.04907	4.4
311.04306	1.5
317.03296	8.7
323.04419	1.6
325.05914	1.2
335.04346	3.2
339.07553	1.2
339.18500	1.4
347.04474	4.3
365.05466	17.6
383.06537	25.9
401.07483	5.1
425.07520	52.4
426.07983	1.0
437.80405	0.9
443.08691	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	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20187	1.5
53.03939	1.9
55.05508	9.7
57.07064	5.3
65.03940	2.0
65.75980	2.0
67.05505	25.7
69.07081	20.8
70.06592	4.6
70.58031	2.3
70.58368	3.8
75.02897	1.8
79.05496	17.1
81.07064	48.2
83.08633	8.5
84.35493	1.6
88.07649	5.3
91.05456	13.6
93.07051	33.8
95.05024	2.3
95.08614	94.6
97.06535	1.8
97.10173	6.2
102.09200	4.7
105.07035	31.2
107.08597	47.1
107.09288	2.9
109.06493	4.1
109.10168	49.1
111.08088	17.0
111.11716	4.4
117.07032	4.8
119.08584	43.0
121.10157	41.8
123.11713	19.6
128.06174	1.5
131.08575	10.4
133.10129	34.7
135.11702	25.7
137.13274	8.0
139.11172	4.3
143.08601	3.6
145.10130	22.8
147.11682	27.1
149.02359	20.5
149.13261	19.1
150.02675	7.8
157.10159	8.7
158.10884	2.1
159.11690	26.3
161.13264	23.7
161.77682	1.6
163.14819	17.6
165.01822	2.8
165.12830	2.6
171.11685	7.7
173.13258	16.7
175.14833	14.1
177.16411	21.4
179.17958	1.7
183.11865	2.0
185.13303	4.5
187.14818	14.0
189.16388	21.2
191.14253	2.4
191.17958	11.4
193.04947	21.1
193.15904	3.7
194.05341	13.9
195.17497	2.5
199.14871	8.4
201.16386	36.0
203.17986	30.9
205.04980	1.8
205.15903	4.4
205.19492	4.5
207.17445	2.8
211.14839	3.0
213.16412	7.4
215.17979	12.9
217.15758	2.2
217.19510	15.4
219.17450	6.4
227.17981	8.1
229.19507	10.2
231.17447	3.2
231.21094	3.9
233.19092	3.1
239.17984	2.2
241.19534	5.9
243.21062	5.7
245.18968	2.7
253.19640	1.8
255.21075	8.6
256.26367	5.3
257.22546	6.2
257.26639	12.3
259.20709	3.3
267.21106	2.6
269.22629	10.9
271.24258	2.6
283.24240	6.1
285.22171	2.7
295.24277	3.1
313.25296	5.3
365.32031	9.5
395.37335	1.9
405.35187	10.3
423.29434	38.0
423.36221	100.0
424.36469	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	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.1
56.96554	2.1
57.07063	6.9
63.09928	1.7
65.03929	3.7
67.05506	24.4
69.07068	28.7
70.17297	1.7
71.04952	2.3
71.08627	4.6
71.58228	2.1
74.81618	1.6
79.05497	15.4
81.06576	2.8
81.07058	55.6
83.08603	10.6
87.02287	1.9
91.05485	18.0
93.07038	34.2
95.04980	3.0
95.08604	48.5
97.06586	2.5
97.10153	3.0
105.07037	54.3
107.04968	2.6
107.08597	39.6
107.95737	1.8
109.06540	9.8
109.10159	45.2
111.08077	2.8
111.11697	3.6
115.05447	2.1
117.07019	8.0
119.08584	100.0
120.08918	2.5
121.06532	4.9
121.10151	30.7
123.08076	3.5
123.11717	23.2
131.08606	12.2
133.10126	29.1
135.08075	9.8
135.11710	17.8
137.13264	9.1
141.07074	2.1
143.08540	3.4
145.10120	31.4
147.11693	28.3
149.02348	2.2
149.13261	17.3
157.10112	9.3
159.11705	16.8
161.13239	17.4
163.14836	8.4
165.01881	4.0
171.11705	7.4
173.11884	2.8
173.13295	8.1
175.14841	7.6
177.05496	3.6
177.16356	9.5
179.14426	2.0
183.02805	2.4
185.13261	3.8
187.14827	7.3
189.16382	6.7
191.17953	8.2
199.14786	5.3
201.16389	15.4
203.17967	38.0
205.05002	4.1
205.19521	6.1
211.14795	3.4
213.16435	4.0
215.17961	13.1
217.15909	2.2
217.19507	14.9
219.17430	9.4
221.18977	2.3
227.17955	4.1
229.19553	4.6
239.18076	1.8
241.19571	3.2
243.21140	2.8
245.22633	4.0
255.21083	3.8
257.22751	2.4
269.08093	3.5
281.22821	2.4
283.05994	10.9
299.23755	2.4
313.25534	2.4
321.25659	3.1
333.51495	2.0
365.32101	2.3
405.09750	2.6
405.17020	4.8
405.35196	17.2
406.34998	2.1
423.31717	2.8
423.36243	76.7
424.36618	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	423.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
55.05521	13.9
56.96566	3.5
57.07070	3.6
66.31880	2.1
67.05502	46.7
69.03425	3.5
69.07073	24.3
70.50565	3.7
70.50898	4.2
79.05501	25.7
79.27966	2.4
81.07059	69.9
82.07408	2.4
83.04972	2.3
83.08642	7.2
91.05478	46.4
92.79765	2.3
93.07045	47.1
95.04964	2.7
95.08611	78.2
97.10164	3.6
100.75920	2.2
102.11877	2.6
103.05473	4.0
105.06373	5.0
105.07034	68.3
107.08601	60.5
109.06497	4.4
109.10161	69.0
109.10912	4.3
111.08073	2.8
115.05466	2.6
116.06209	2.8
117.07018	13.2
119.04203	2.6
119.04970	2.8
119.08579	39.9
121.06470	7.7
121.10144	44.9
123.08073	4.8
123.11710	74.1
123.83113	2.2
125.09661	4.7
128.06247	3.6
129.07002	4.1
131.04962	4.3
131.08568	33.8
133.10138	61.0
135.04460	2.8
135.08069	9.4
135.11687	40.2
135.56175	2.2
137.09554	2.9
137.13260	5.4
141.06932	2.8
143.08560	11.5
145.10120	31.8
147.11694	43.9
149.02356	6.3
149.13234	12.1
151.03874	7.3
155.08595	3.3
157.10147	16.8
159.11731	24.4
161.09616	10.5
161.13271	24.4
163.14865	6.1
165.01851	5.9
166.07693	2.5
167.03429	5.4
169.10135	3.8
171.11739	7.4
173.13255	26.2
175.14803	11.1
177.05498	23.4
177.16417	8.8
179.14223	3.2
181.06538	3.1
183.02957	3.2
183.11662	4.8
185.13284	7.8
187.14801	7.9
189.05498	5.3
189.09056	2.6
189.16397	10.5
191.17987	4.6
193.05016	3.0
199.14845	17.8
201.16394	61.7
203.17963	100.0
205.04991	31.0
207.06523	25.2
209.05991	2.5
213.16322	4.6
215.17963	20.5
217.08601	4.3
217.15936	7.7
217.19554	8.0
227.07030	4.7
227.18011	5.1
229.19693	5.0
239.10880	4.6
239.18025	4.2
241.19518	11.9
251.18051	3.4
253.19624	4.8
253.93456	2.8
255.06523	4.4
255.21123	10.8
267.06744	2.2
267.07281	2.7
267.10181	23.8
267.20981	4.8
269.08151	4.2
269.22763	3.8
275.13406	3.4
283.06067	13.3
283.09378	4.2
297.11142	3.7
297.25693	4.1
305.11710	7.5
323.12570	15.1
323.27362	3.0
341.13803	2.8
351.38452	2.8
405.16422	5.4
405.21280	14.3
405.35205	68.7
423.21698	10.9
423.31552	4.1
423.36261	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.5
55.52429	1.2
57.07068	4.6
67.05167	2.7
67.05505	33.1
69.07070	17.8
71.55802	1.3
71.56207	2.0
73.17651	1.3
79.05502	8.7
81.07064	47.1
83.08629	10.7
87.55043	1.2
89.06026	1.3
91.05491	7.8
93.07046	15.1
95.04940	1.8
95.08614	98.2
97.10178	4.1
105.07024	9.5
107.08595	24.0
109.10162	78.4
110.26538	1.4
117.06984	2.4
119.08601	18.8
121.10174	15.8
123.08054	2.6
123.11729	14.5
129.07028	2.3
131.08580	7.6
133.10146	14.0
135.11688	7.5
137.13280	4.8
141.06938	1.6
142.07828	1.7
143.08559	9.4
145.10133	14.7
147.11702	9.2
149.13300	4.8
151.14787	2.0
155.08546	4.1
156.09349	7.2
157.10124	10.0
158.10939	1.6
159.11684	10.1
161.13275	4.8
163.14845	6.0
165.16418	8.0
169.10164	5.8
170.10960	4.9
171.11699	30.1
173.13268	8.3
175.14850	3.1
177.16324	2.3
179.14293	2.5
179.17978	2.9
183.11641	7.3
184.12329	1.7
185.13286	12.0
187.14841	6.2
191.17935	1.5
195.11888	1.7
197.13286	5.5
199.14911	6.5
201.16422	3.0
203.18010	2.9
209.13232	2.1
211.14880	5.1
213.16449	3.8
215.17970	3.3
224.15617	1.9
224.48134	1.5
225.16364	3.2
226.17232	2.0
227.18050	3.4
239.17938	11.8
241.19527	36.4
243.21185	2.5
253.19582	3.5
255.21149	2.1
257.19055	8.2
259.20593	52.3
267.21207	4.0
269.22629	2.6
271.20651	4.2
281.22675	1.5
285.22064	5.0
311.27670	1.5
339.01221	1.7
369.65958	1.6
405.35080	9.8
423.36234	100.0
424.36606	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01868	2.5
55.05511	18.0
57.03431	4.1
57.07086	7.6
57.65164	1.6
61.49365	1.3
61.71383	1.4
67.05506	30.3
69.03426	2.9
69.07067	32.0
70.70152	2.9
71.04976	3.8
71.08629	1.7
79.05501	17.2
81.07062	53.0
83.04988	5.4
83.08627	10.0
85.06537	2.5
85.08070	1.5
91.05484	19.6
93.07047	32.4
95.04976	3.1
95.08611	59.3
97.06519	5.4
97.10159	5.5
105.03381	6.2
105.07035	33.2
107.08603	38.4
109.06522	11.9
109.10168	41.7
109.10905	2.1
111.08087	3.4
111.11744	3.5
117.07024	5.6
118.94891	1.8
119.08585	33.8
121.06485	1.9
121.10146	30.5
123.08075	57.8
123.11705	18.1
125.09610	2.2
127.11134	1.9
129.07004	2.1
131.08589	12.6
133.02864	8.3
133.10146	19.1
135.08061	11.6
135.11696	23.7
137.09608	4.6
137.13248	5.4
143.08580	7.4
145.10130	19.8
147.11690	24.2
149.09612	6.1
149.13255	16.8
151.03900	1.8
156.09337	2.0
157.10191	7.4
159.11702	16.0
161.09615	2.6
161.13286	12.9
163.03894	17.0
163.11098	1.9
163.14825	6.0
165.12724	2.8
169.10117	2.3
171.11702	7.8
173.13281	13.3
175.11179	2.5
175.14764	12.5
177.05482	2.8
177.12735	4.9
177.16389	7.0
179.14317	21.2
180.14751	2.0
181.04974	18.1
181.10236	1.6
183.11729	3.1
185.13280	6.9
187.14818	7.9
189.16364	10.2
191.18002	3.4
199.14844	5.9
201.16333	9.3
203.06915	1.6
203.14267	2.6
203.17969	9.1
205.04959	2.2
205.19516	7.3
209.13364	1.7
213.16432	4.3
215.17976	6.5
217.15865	4.0
217.19481	3.8
227.17865	3.7
229.19495	3.1
231.21196	2.8
233.19104	2.8
241.19533	3.7
243.21056	1.9
247.20459	2.2
253.19637	2.9
257.22699	3.3
259.20703	2.5
263.19980	2.3
267.20938	2.5
269.22672	3.2
275.20123	5.4
281.22864	1.9
283.24152	1.9
293.21136	3.4
297.25977	1.5
299.09155	14.1
299.23648	1.8
303.26764	8.7
331.22394	2.5
331.26334	36.2
332.26453	2.0
349.27292	11.1
367.24948	3.1
367.29645	1.9
405.20471	1.9
405.30304	2.6
405.35245	10.7
423.21692	3.8
423.31006	100.0
423.36273	52.0
424.31415	5.4
424.36658	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	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01852	2.3
55.05518	11.3
57.03433	2.8
57.07067	5.2
65.03954	2.5
67.05501	18.7
69.07069	22.4
70.17194	5.4
71.08617	2.2
79.05493	16.9
81.06573	2.7
81.07054	47.8
83.04952	2.2
83.08618	6.7
91.05486	18.5
93.07044	26.4
95.04971	2.6
95.08608	36.4
97.06539	3.5
97.10184	3.6
99.08039	1.9
103.79993	1.5
105.07029	41.4
107.08602	25.6
109.06516	14.9
109.10153	21.7
111.08069	3.1
111.11710	2.1
116.06290	1.4
117.07072	3.6
119.07777	3.1
119.08582	38.5
121.06513	2.4
121.10143	19.3
123.08075	53.6
123.11683	8.6
131.08575	21.1
133.10139	22.5
135.08054	9.8
135.11659	10.4
137.09619	4.7
137.13286	2.8
142.07758	1.9
143.08574	5.2
144.09348	2.1
145.10123	12.8
147.11696	18.3
149.02370	2.4
149.09657	2.6
149.13275	6.0
151.03958	2.7
157.10103	7.7
159.11711	12.3
161.13269	15.2
163.14847	2.3
165.01857	2.1
167.14404	2.1
171.11737	3.5
173.13225	7.2
175.14850	7.5
177.12799	3.0
177.16425	8.3
179.14319	37.4
179.15819	3.2
185.13255	3.3
187.14836	7.6
189.16408	9.0
191.17972	1.8
197.13284	2.9
199.14824	5.6
201.16396	8.7
203.07097	1.7
203.17984	13.9
205.04956	2.9
205.15880	1.5
213.16425	3.0
215.17944	8.6
217.19531	11.6
219.17468	2.0
227.17993	3.7
229.19522	2.3
241.19574	1.9
253.19504	2.1
255.21155	2.2
267.10242	4.1
275.20114	4.1
283.09821	2.4
293.21057	2.8
303.26816	5.2
331.26328	37.8
331.30109	3.1
349.27472	10.5
367.25067	2.2
405.20691	3.0
405.30396	2.0
405.35068	10.0
423.22720	7.0
423.31079	100.0
423.36285	12.6
424.31683	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25404	4.5
51.12267	4.2
53.03934	5.5
55.05517	25.2
56.96576	6.2
57.07071	16.5
64.24000	4.2
64.26511	4.2
67.05508	60.0
69.07074	55.8
70.06617	5.5
71.55849	5.0
71.56252	4.1
79.05508	33.0
81.07063	95.4
83.08611	12.1
84.36855	4.8
88.07640	6.4
91.05471	32.0
93.07056	67.9
94.74104	4.5
95.08618	100.0
97.06551	6.3
97.10188	5.6
105.07042	79.3
107.08607	76.5
109.06499	11.8
109.10154	82.4
111.08068	8.2
111.11777	5.6
117.07034	10.6
119.08582	87.7
121.06487	14.2
121.10183	51.3
123.08054	15.8
123.11735	29.1
131.08578	18.2
133.10139	50.9
134.44450	4.8
135.07054	4.1
135.08020	21.1
135.11700	28.7
137.13280	11.0
141.07104	5.5
143.08577	10.4
145.10146	29.9
147.11700	48.2
149.02342	26.1
149.13295	26.2
150.02692	15.5
151.03935	7.2
155.08539	5.6
157.10168	17.7
159.11703	31.6
161.13284	30.3
163.14830	10.5
165.01808	6.9
169.10136	7.1
171.11743	8.5
173.13258	19.7
175.14835	15.5
177.05600	4.8
177.12848	5.2
177.16429	14.7
179.14388	6.6
185.13206	8.8
187.14780	8.1
189.16391	17.1
191.17955	14.0
193.05058	22.2
194.05324	16.5
199.14830	13.5
201.16360	25.4
203.17998	60.1
205.05034	9.0
205.19598	11.1
211.14865	6.2
213.16356	6.6
215.17972	16.2
217.19559	18.6
219.17468	11.3
229.19672	5.0
255.21158	11.2
256.26379	6.5
257.22665	6.7
257.26669	14.1
267.21088	8.4
279.41925	4.4
281.04401	6.2
283.05954	28.5
285.22128	4.5
297.07483	10.1
303.11426	3.9
331.26428	8.1
378.22113	4.5
378.26379	23.3
405.35394	22.1
405.39697	4.6
423.17471	10.3
423.22964	6.9
423.29510	42.9
423.36246	93.3
446.37524	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03947	1.7
55.05516	11.0
57.07069	5.5
60.16479	1.8
65.03947	2.0
67.05502	24.0
67.95682	1.6
69.03435	2.4
69.07077	18.1
69.40061	6.1
69.40483	7.3
71.08652	1.7
79.05498	12.7
81.07061	54.3
83.08611	8.3
91.05486	15.8
91.99382	2.0
93.07049	33.7
95.04945	1.6
95.08612	84.4
97.06489	2.2
97.10177	6.6
98.21479	3.5
105.07033	37.3
106.99117	1.6
107.08602	44.6
109.06493	3.1
109.10160	70.6
111.08112	8.0
111.11721	3.6
117.07041	5.0
119.08588	55.3
121.10152	44.5
123.11701	24.0
129.07040	1.9
129.61923	1.7
131.08603	10.1
133.10135	45.6
135.11705	26.9
137.13287	8.1
139.11198	8.1
143.08572	7.8
145.10126	24.5
147.11693	34.9
149.13269	24.0
151.11243	2.1
151.14792	2.4
153.12817	2.0
157.10133	6.7
159.11705	27.3
161.13266	28.3
163.11205	2.6
163.14830	15.0
165.01839	2.9
165.12743	3.7
169.10187	2.5
171.11719	7.6
172.12466	2.0
173.13257	21.9
175.11057	1.7
175.14825	19.9
177.16385	12.8
183.11763	3.4
185.13281	7.0
187.14841	18.7
189.16362	18.7
191.18016	9.5
193.15816	2.1
197.13263	2.6
199.14844	7.2
201.16348	18.4
203.17961	40.4
205.15956	5.2
205.19525	4.5
207.17535	3.0
213.16373	6.8
215.17969	13.9
217.15913	4.1
217.19508	19.1
219.17490	6.1
221.18971	1.9
225.16371	2.8
227.17941	7.5
229.19582	10.2
231.17503	3.0
231.21127	4.4
233.19055	3.0
237.16516	2.4
241.19647	5.7
243.21114	6.7
245.19122	2.9
245.22594	1.9
255.21124	6.8
257.22653	5.2
259.20624	3.6
266.20770	1.8
267.21133	2.2
269.22681	6.2
271.20425	3.2
271.24426	3.4
281.22684	2.6
283.24252	3.5
285.07831	2.6
285.22415	2.1
295.24014	2.6
309.25757	1.9
313.25165	3.3
349.29532	2.0
351.30573	3.7
365.32153	7.5
405.35156	11.6
423.36246	100.0
424.36606	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	423.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01894	2.6
55.05515	16.9
56.96566	2.1
57.03446	1.8
57.07076	3.3
62.68433	1.6
65.03948	4.7
67.05164	2.9
67.05507	39.7
69.03420	4.4
69.07065	22.1
71.05011	2.3
71.08623	2.0
71.37570	3.2
79.05103	2.5
79.05502	22.5
81.07060	57.3
83.04957	3.3
83.08619	10.0
91.05496	27.7
93.07053	44.2
95.04969	5.2
95.08611	100.0
97.02887	1.8
97.06514	2.1
97.10175	5.6
103.05491	2.4
105.03420	2.9
105.06483	1.3
105.07036	52.2
107.04944	4.4
107.08602	64.3
109.06501	8.0
109.10162	72.7
111.08092	12.3
111.11745	3.4
115.05491	2.7
117.07008	7.6
119.08587	58.5
121.02899	3.1
121.06515	11.2
121.10144	42.2
123.08078	5.3
123.11707	23.1
125.09649	3.0
128.06203	3.0
129.07019	5.3
130.07748	2.6
131.08560	16.7
133.10138	48.7
135.04457	3.2
135.08093	4.4
135.11705	28.9
137.02368	1.6
137.09622	2.9
137.13290	8.9
137.57027	1.8
139.11195	4.2
141.01854	1.9
141.06984	2.2
142.07709	1.8
143.08557	11.0
144.09430	2.2
145.10126	30.2
147.04401	2.8
147.11700	29.8
149.02341	18.6
149.06006	2.5
149.13252	20.2
151.03908	7.0
151.07584	2.6
151.11226	3.6
151.14890	2.1
153.12732	2.0
155.08611	2.0
156.09358	2.3
157.10158	17.5
159.11693	29.1
161.09625	3.1
161.13269	25.8
163.03893	6.1
163.14828	17.0
165.01840	32.0
165.09108	3.3
165.12756	3.3
167.03415	21.4
169.10141	3.5
171.11754	10.1
172.12308	1.9
173.13274	18.3
175.03952	1.8
175.11301	1.8
175.14813	17.3
177.05496	35.5
177.16394	20.5
179.03473	4.4
179.08528	1.8
179.14297	3.2
179.17982	3.2
181.01335	7.9
183.02905	17.3
183.11732	4.9
185.13298	8.3
187.14839	15.1
189.05495	3.3
189.16400	19.3
191.17957	9.4
193.15848	3.1
195.11705	1.8
195.17659	2.2
197.13257	3.3
199.14842	16.9
201.16385	27.4
203.03397	3.6
203.07056	4.1
203.14363	2.2
203.17973	32.0
205.04968	36.8
205.15909	2.5
205.19522	3.9
206.05653	2.6
207.06615	5.9
207.17400	3.3
211.14987	4.0
213.09387	2.0
213.16400	7.6
215.17964	13.1
217.15909	4.9
217.19475	13.3
219.06717	4.0
219.17435	5.9
221.04463	3.6
225.16418	3.3
227.07002	2.2
227.17982	11.3
229.19504	12.3
231.17558	2.4
231.21204	3.7
233.19032	4.2
239.07158	2.8
239.17815	2.0
241.19511	7.2
243.06485	3.3
243.21140	8.0
245.08182	1.9
245.19135	2.0
247.06131	2.4
251.07118	3.5
253.19608	4.2
255.21152	10.5
257.22754	9.4
259.20557	2.8
263.06717	1.8
267.06653	4.2
267.10156	4.6
267.21027	3.1
268.07327	2.9
269.08163	6.7
269.11646	2.5
269.22632	13.2
271.06409	2.0
271.24286	4.0
279.06564	5.3
281.08160	2.0
281.22665	2.9
283.06000	21.7
283.24268	4.7
285.07629	24.7
285.11221	5.2
285.22226	3.6
287.13141	2.7
303.12292	6.4
323.09479	2.6
323.12881	2.2
341.35007	1.7
363.12131	1.9
365.32169	7.1
379.11609	3.2
381.13358	2.2
387.15546	2.1
405.16342	9.5
405.21103	5.5
405.35156	8.5
423.13837	5.0
423.22345	28.5
423.36282	93.4
424.36752	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3625
Annotation	Glochidone
Peak:m/z	Relative Intensity
53.03941	1.9
54.64043	1.5
55.01871	2.2
55.05513	15.0
56.96571	3.6
57.07066	4.7
59.05005	2.1
67.05512	23.7
69.07080	25.6
69.59306	11.5
79.05502	11.9
81.03432	2.0
81.07068	36.1
83.04989	2.1
83.08622	12.9
85.02933	1.5
91.05491	13.3
93.07046	27.3
95.04996	2.8
95.08616	63.4
97.06533	3.7
97.10178	3.7
98.20749	3.7
98.48610	1.5
105.07040	27.7
107.08604	47.3
109.06537	3.1
109.09452	3.1
109.10168	51.5
111.08119	2.1
111.11713	3.3
117.07006	5.4
119.07788	2.8
119.08593	43.0
121.06429	2.0
121.10152	40.4
123.08099	4.1
123.11729	25.3
125.09629	3.7
129.07042	4.2
131.08574	15.9
133.10146	38.8
135.11703	24.3
137.09615	2.0
137.13261	10.9
139.11209	6.4
143.08559	7.5
145.10158	18.8
147.04408	2.3
147.11691	22.0
149.02325	3.5
149.13269	15.1
151.11255	2.4
151.14798	2.7
155.08585	2.7
157.10127	12.0
159.08107	2.0
159.11702	19.7
161.06024	3.8
161.13300	19.5
163.11176	2.5
163.14832	16.4
165.12764	1.9
165.16409	3.1
167.03450	3.1
169.10138	3.4
171.11742	9.0
173.13269	13.8
175.11145	2.0
175.14873	17.8
177.05504	2.8
177.16406	13.1
183.11627	4.1
185.13300	6.6
187.03851	2.0
187.14853	11.8
189.16397	21.7
191.17975	12.1
195.11726	2.3
197.13318	2.8
199.14879	6.1
201.16429	18.9
203.07155	3.3
203.18021	20.2
205.05020	3.7
205.15892	2.4
205.19540	4.9
207.06580	5.5
207.17435	3.2
211.14861	3.9
213.09210	2.9
213.16495	6.1
215.17975	13.6
217.19540	16.9
219.17493	7.5
227.17987	8.4
229.19536	7.2
231.17476	3.0
233.19020	2.4
239.17783	3.8
241.19565	6.4
243.21164	6.9
245.19119	6.0
253.19490	3.6
255.21146	3.9
257.22604	2.7
259.20645	3.1
267.09146	4.1
267.21149	2.9
269.08133	1.9
269.22745	5.0
271.20465	2.5
271.24353	2.9
281.22647	3.7
283.06076	12.1
283.24130	2.0
284.06778	2.3
285.10175	2.9
285.22192	7.1
285.25595	1.8
287.23666	2.4
295.24112	2.6
299.08899	2.4
299.23688	2.6
309.25613	2.6
311.27402	5.5
313.25339	3.1
325.25177	1.8
327.26837	1.9
335.27316	2.4
337.11017	2.0
351.30423	3.8
365.10349	4.0
367.17953	2.8
381.31448	2.3
395.14853	23.5
405.35144	30.0
423.14148	8.5
423.23492	4.9
423.36264	100.0
424.36734	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82210	0.8
53.03944	1.4
55.01863	1.3
55.05513	9.3
56.70441	0.9
57.03434	3.1
57.07081	4.7
59.75978	0.9
65.03976	0.9
67.05511	16.8
69.03427	1.1
69.06712	1.4
69.07069	15.2
71.05000	2.1
71.08629	3.8
71.58943	1.0
79.05490	9.0
81.07059	26.8
83.04956	1.3
83.08614	6.5
85.06553	2.4
91.05488	7.7
93.07050	17.1
95.04977	3.5
95.08611	29.8
97.06526	2.8
97.10180	2.6
99.08098	2.2
105.07030	14.8
107.08598	17.3
109.06517	17.6
109.10153	21.0
111.08080	2.3
111.11716	1.2
117.06993	1.6
119.08590	16.8
121.06503	1.7
121.10151	13.8
122.07273	1.4
123.08074	47.3
123.11703	7.9
125.09618	1.6
129.07045	1.5
131.08577	5.3
133.06557	1.3
133.10143	11.2
135.08055	9.0
135.11687	12.9
137.09615	4.0
137.13258	3.8
142.07838	1.2
143.08575	3.1
145.10153	8.6
147.11688	10.6
149.09610	3.0
149.13272	6.9
151.03932	0.9
151.11150	0.9
157.10132	3.2
159.11713	7.2
161.09583	1.8
161.13266	3.4
163.11198	1.4
163.14813	2.0
165.12741	2.1
167.14377	1.1
169.10091	1.2
171.11726	2.9
173.13269	5.2
175.11263	0.9
175.14850	5.3
177.12772	2.9
177.16397	2.1
179.14316	58.8
183.11691	1.0
185.13261	4.5
187.14848	3.5
189.16383	7.8
191.14294	1.2
191.17937	1.8
193.15889	2.6
197.13310	0.9
199.14819	2.2
201.16455	1.6
203.07069	1.2
203.14432	1.6
203.18016	2.3
205.15848	2.0
205.19545	5.9
213.16388	2.2
215.18001	3.0
217.15840	5.1
217.19446	1.0
225.16212	0.9
227.17957	1.8
229.19650	1.5
233.19005	2.1
241.19559	2.6
243.21173	1.2
247.20506	1.0
253.19588	0.9
255.21222	1.1
257.22876	1.4
259.20636	3.8
261.71249	1.1
263.20087	1.5
269.22641	1.3
275.20114	3.6
293.21255	2.9
297.07516	1.4
298.07919	2.8
299.08151	4.1
303.26865	4.6
313.25259	1.6
331.26328	33.2
332.26572	0.9
349.27383	10.1
367.24905	1.5
405.30209	1.7
405.35202	4.3
423.31015	100.0
423.36279	28.1
424.31351	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
53.73549	1.5
55.01871	1.4
55.05507	10.8
55.46505	1.4
57.03437	2.9
57.05140	1.2
57.07067	3.3
58.08506	1.2
62.89311	1.2
65.03951	1.9
67.05512	17.6
69.03441	1.4
69.07070	20.9
71.04974	2.2
71.08630	3.9
71.37245	3.2
74.44847	1.3
74.68801	1.4
79.05488	12.4
81.06582	1.9
81.07061	37.1
83.04971	1.8
83.08610	8.4
91.05483	18.5
93.07052	24.8
95.05018	1.6
95.08611	29.1
97.06540	3.8
97.10165	2.9
105.07034	37.4
107.08598	21.6
109.06534	14.0
109.10175	16.1
111.08086	3.3
113.93826	1.3
117.07018	5.9
119.08592	31.9
121.06477	2.7
121.10155	17.5
122.07314	1.5
123.08075	44.5
123.11703	7.4
125.09628	1.6
129.07037	2.2
131.08565	15.2
131.30734	1.4
133.10136	18.5
135.08049	10.5
135.11732	10.7
137.09633	3.1
137.13164	1.9
143.08583	4.4
144.09323	1.6
145.10124	13.8
147.11691	15.3
148.12167	1.5
149.02376	3.7
149.09680	2.8
149.13275	5.7
151.03949	3.2
155.08580	2.5
157.10118	5.8
159.11687	13.0
161.13228	12.5
163.14825	2.5
165.01897	2.8
165.12869	1.8
167.03429	2.3
169.10139	2.0
171.11804	3.1
173.13269	4.8
175.14844	5.7
177.05537	2.7
177.12807	4.1
177.16403	5.9
179.14320	36.8
179.15805	2.4
183.11630	2.2
185.13254	2.8
187.14867	7.1
187.66864	1.4
189.16426	5.2
191.17972	2.1
193.15848	2.7
197.13335	1.9
199.14845	4.8
201.16415	7.8
203.06989	2.7
203.17955	14.0
205.05051	1.8
213.16406	4.3
215.17995	8.9
217.15791	1.4
217.19554	13.0
225.16417	2.0
227.17914	3.4
229.19601	3.0
233.19051	2.6
241.19641	1.4
247.20731	2.1
253.19661	2.4
255.21272	2.4
263.20160	2.7
267.10233	2.2
269.08032	2.0
270.92270	1.4
275.20248	3.7
287.04123	1.8
293.20972	3.4
303.26831	6.2
305.04935	2.5
331.26312	31.3
349.27386	10.1
367.24640	1.7
405.20633	3.8
405.30081	2.3
405.35233	8.0
423.21533	5.0
423.31104	100.0
423.36301	10.0
424.31726	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05514	8.8
57.03434	2.7
57.07061	3.1
59.05000	0.9
67.05217	1.2
67.05512	12.3
69.03409	1.3
69.06725	1.1
69.07072	14.1
71.04989	2.1
71.08624	2.7
71.37426	1.4
71.37753	1.6
79.05500	9.7
79.10840	0.9
81.07061	25.7
83.04965	1.4
83.08640	4.8
85.06538	1.9
91.05491	6.5
93.07045	12.2
95.04967	1.8
95.08610	19.9
97.02909	1.5
97.06525	2.8
97.10199	1.1
99.08064	2.4
105.07040	16.4
107.08597	14.2
109.06519	11.3
109.10145	10.7
111.08073	1.3
114.89818	1.0
116.93756	1.0
117.07002	2.3
119.08590	16.1
120.34281	1.1
121.06527	1.7
121.10165	9.3
122.75217	0.9
123.08076	45.3
123.11718	2.8
125.09650	1.0
128.09988	1.0
129.07028	1.2
131.08577	6.5
133.10121	8.0
135.08069	9.1
135.11671	5.2
137.09627	2.4
137.13260	1.8
143.08577	1.1
145.10081	4.7
147.11723	9.0
149.02374	1.7
149.09625	2.4
149.13275	5.2
151.03947	2.5
157.10150	4.0
159.11707	4.7
161.13272	5.2
163.14874	1.6
165.12791	1.3
173.13297	2.7
175.14841	2.8
177.05583	1.1
177.12756	3.4
177.16408	2.7
179.05898	1.0
179.14323	32.9
185.13284	1.3
187.14839	3.1
189.16418	2.8
191.18039	1.1
193.15872	1.6
199.14847	2.7
201.16331	1.8
203.17973	2.9
205.04961	1.2
205.15866	2.2
207.06494	1.2
215.18018	2.7
217.19574	4.5
233.18979	1.2
241.19148	1.3
247.20493	1.2
253.91536	0.9
263.20142	1.2
267.10391	1.0
275.20081	3.6
287.35596	1.3
289.25375	1.2
293.21130	3.4
303.26874	4.4
309.30408	1.0
331.22302	1.9
331.26306	29.1
332.26804	1.4
341.97778	1.0
349.27316	10.5
367.24857	2.4
371.90381	1.2
405.20593	3.0
405.29868	2.4
405.35162	3.5
423.31076	100.0
423.35992	5.3
424.31534	3.0
435.42673	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99195	1.4
53.03938	6.5
55.01860	6.0
55.05513	15.6
56.96555	2.3
57.03421	6.3
57.07067	3.5
63.56362	1.6
65.03927	4.5
67.05173	2.5
67.05508	42.3
69.03429	29.2
69.07071	18.1
71.04977	5.0
71.08613	1.6
73.02914	1.8
79.05056	2.6
79.05495	36.9
81.03418	17.8
81.07059	44.6
81.43633	1.4
83.04960	6.0
83.08614	6.8
85.02887	6.9
85.06528	3.2
91.04965	2.6
91.05485	36.0
93.03407	2.3
93.07049	43.6
95.04974	7.3
95.08043	2.6
95.08605	31.5
97.02854	3.6
97.06534	3.2
97.10143	3.6
97.32856	1.5
99.04468	3.5
99.08099	2.2
101.29675	2.0
103.05434	2.7
105.07035	47.7
107.04939	3.1
107.08599	28.6
109.02869	3.1
109.06518	8.6
109.10168	19.9
111.04440	3.8
111.08032	2.0
114.94038	1.7
117.07029	12.4
119.04951	2.6
119.08584	36.7
121.02855	2.9
121.06512	10.1
121.10148	22.2
123.04420	4.0
123.08057	7.8
123.11684	7.0
125.09618	10.4
127.03918	3.0
128.06178	3.7
129.05458	2.5
129.07010	11.6
131.01274	4.5
131.04910	1.9
131.08571	20.7
133.06471	3.9
133.10132	23.6
135.04434	1.7
135.08034	5.1
135.11705	15.7
141.06981	3.3
142.07759	8.2
143.08551	15.9
145.06476	1.8
145.10132	20.8
147.07973	3.2
147.11725	13.7
149.01146	2.3
149.02341	44.1
149.06032	1.7
149.09584	2.3
149.13235	6.4
151.03903	2.9
151.07585	3.4
155.08533	2.9
156.09344	2.6
157.10135	30.4
159.11717	18.1
161.05966	6.0
161.09583	3.5
161.13310	7.1
163.03920	2.4
163.07619	2.0
163.11201	3.0
163.14774	3.2
164.04655	4.7
165.12790	2.4
167.03409	46.7
167.08714	1.6
169.10103	3.1
171.08109	1.6
171.11647	8.8
173.13278	10.0
175.11134	2.2
175.14833	4.9
177.05476	24.0
177.12921	1.8
179.07001	1.6
179.14302	9.0
183.11716	1.8
185.09648	1.7
185.13231	4.1
187.11211	2.0
187.14799	4.7
189.12752	2.2
189.16425	3.7
192.04208	5.5
197.09494	1.9
197.13255	3.1
199.14824	36.2
201.16437	2.8
203.07034	3.3
203.14258	1.6
205.04968	22.0
207.06531	100.0
211.11263	1.5
215.75778	1.5
217.15837	8.5
219.06494	2.3
223.14870	1.5
239.17798	1.6
241.19643	2.9
243.21021	2.3
249.14729	2.1
253.19409	1.7
259.20581	6.2
261.22159	11.1
267.10260	2.3
273.14905	1.6
273.22198	2.1
277.13895	1.6
277.21661	3.7
281.07925	2.1
283.09589	3.6
289.21506	2.5
291.23154	1.9
299.09113	19.8
301.21640	1.9
303.23154	7.4
308.52609	1.7
315.23065	2.1
331.26260	4.5
341.25415	1.7
345.24280	2.6
351.23120	3.4
369.24435	9.2
379.32608	1.6
387.20877	1.7
387.25186	9.4
398.45050	1.4
405.20502	12.2
405.26248	10.6
423.13757	1.8
423.22025	28.4
423.27039	4.9
423.32086	7.8
423.36044	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	423.2168
Annotation	Linderol A
Peak:m/z	Relative Intensity
55.05512	9.8
57.03435	3.1
57.07073	5.6
59.05003	2.0
65.03952	2.8
67.05511	19.5
69.03432	7.7
69.07067	16.9
71.05000	2.7
71.08630	2.3
71.58601	1.8
79.05505	16.3
81.03428	2.1
81.07068	30.3
83.04982	2.6
83.08614	4.5
85.06560	1.7
91.05487	85.4
92.05824	2.4
93.07054	19.8
95.04961	5.2
95.08608	24.3
97.06537	2.9
103.05492	2.6
105.03410	2.7
105.07043	42.8
107.04974	6.7
107.08599	28.9
109.06517	12.2
109.10166	20.6
115.02734	1.8
115.05486	4.6
117.07035	8.7
119.08599	28.7
121.06487	14.8
121.10130	13.6
123.08067	32.4
123.11710	5.8
124.26641	1.6
125.09615	7.0
126.42157	1.6
128.06223	3.1
129.06985	9.9
131.04942	3.8
131.08563	15.2
133.06467	5.2
133.10139	36.2
133.11087	3.1
135.08049	10.3
135.11655	8.2
137.06015	2.8
137.09618	3.5
142.07835	5.7
143.08582	10.5
145.06516	2.4
145.10135	21.1
146.10605	1.7
147.08043	4.5
147.11711	14.4
149.02364	4.8
149.06003	3.3
149.09660	4.5
149.13269	5.9
151.03906	19.6
151.07573	1.8
151.11183	2.0
155.08604	2.7
156.09329	3.5
157.10143	21.3
159.11720	12.3
161.05965	5.0
161.09622	5.2
161.13319	3.3
163.03975	2.3
163.11212	2.3
165.01862	3.3
165.07018	3.5
165.12759	2.2
166.07751	4.3
167.03427	7.5
167.08499	1.8
169.10185	2.6
171.08128	1.9
171.11723	3.7
173.13284	7.2
175.04002	1.9
175.07542	3.4
175.11214	6.1
175.14897	4.4
176.04767	1.7
177.05487	46.6
177.09030	2.0
177.16428	3.2
178.05864	2.3
178.07895	2.5
179.08636	3.4
179.14323	30.1
181.10159	5.3
182.10675	1.8
183.08060	2.3
183.11742	3.3
185.06017	2.2
185.13290	2.5
187.14865	2.8
189.05493	10.3
189.12804	1.9
189.16391	4.0
191.07021	12.1
191.08514	4.3
192.04181	2.0
194.07297	4.6
196.08746	2.4
199.14836	31.1
201.16405	8.7
203.07057	15.7
203.17996	5.8
204.04210	2.0
205.04982	41.4
206.05684	3.2
207.06543	29.7
207.08301	2.9
209.09642	4.7
211.07623	3.7
213.16359	2.1
215.07077	2.1
215.17960	3.9
217.15909	6.4
217.19446	2.7
219.06538	65.3
225.08986	2.7
225.16351	2.1
229.08568	4.2
229.12392	2.8
231.06689	2.7
237.09177	5.0
239.10663	4.7
243.10297	2.7
247.13202	1.9
249.09224	2.7
250.09818	2.1
257.08075	2.2
259.09549	1.9
265.08679	4.2
267.06973	3.2
267.10190	67.0
268.10474	2.2
269.08176	3.5
269.11740	5.0
271.09674	1.8
273.11255	5.1
275.19995	2.3
283.09674	4.3
284.06842	6.4
285.07819	1.9
285.11191	3.7
295.13120	2.5
297.11319	4.1
305.05008	2.5
305.11682	4.2
323.12933	12.6
331.26321	25.5
345.14737	2.5
349.14307	2.8
349.27527	4.3
353.17856	2.0
363.15970	3.7
387.19635	5.2
391.19159	2.2
405.20660	100.0
405.35245	4.0
406.21088	4.6
423.22012	53.2
423.30991	52.7
423.36279	6.6
424.22089	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.217
Annotation	Xanthoangelol G
Peak:m/z	Relative Intensity
53.03957	2.8
55.05520	8.9
56.30937	1.8
57.07086	2.1
58.86922	1.8
59.05004	2.2
63.29655	1.8
65.03947	2.6
67.05509	16.4
69.03451	1.9
69.07073	20.0
69.13568	1.7
69.66963	12.4
77.03938	2.8
77.20975	1.8
79.05503	11.6
80.15669	2.0
81.07059	22.7
83.08616	2.3
91.05491	17.0
91.76396	1.9
93.07063	18.8
95.08611	15.4
97.02914	6.5
99.04457	2.6
105.03407	37.4
105.07024	15.5
107.08607	16.8
109.02915	2.3
109.06532	4.1
109.10160	14.9
115.05513	2.3
117.07040	4.4
119.04965	4.2
119.08600	10.8
121.06527	37.4
121.10170	9.2
123.08104	5.3
123.11762	5.2
127.03939	2.2
128.06187	2.1
129.07028	3.1
131.08586	7.0
133.02863	50.4
133.03795	3.3
133.06508	2.1
133.10114	9.4
135.04480	3.9
135.08069	39.4
135.11742	7.9
137.02412	2.9
137.13232	2.4
143.08609	2.6
145.10117	9.1
147.04410	24.0
147.11684	6.3
149.02373	21.6
149.05991	2.8
149.13306	4.0
151.03957	3.5
155.08641	2.1
157.10178	7.1
159.11739	5.4
161.05972	4.3
161.13306	5.4
163.03917	100.0
165.01846	19.4
165.05576	2.6
167.03412	14.8
173.13310	4.7
175.14900	5.6
177.05479	64.9
179.14346	6.3
180.18854	1.9
181.04970	90.4
183.02963	4.4
189.05412	3.4
189.16396	3.8
199.14909	6.7
201.16472	5.0
203.07013	12.3
203.17995	3.6
205.04994	65.3
205.06953	3.2
206.05634	2.4
207.06488	9.9
217.05150	2.8
217.08698	5.2
217.15956	6.8
217.19476	2.3
219.17488	3.8
229.08551	2.7
229.19499	2.0
267.10309	3.2
283.09680	81.3
285.14999	2.4
299.05505	76.2
323.12759	18.2
331.26291	2.5
333.17596	6.3
390.50604	2.3
405.20633	16.1
405.35419	4.6
423.21820	98.1
423.31406	9.2
423.36429	7.5
424.22696	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	423.2167
Annotation	5-Deoxyhomoflemingin
Peak:m/z	Relative Intensity
50.52779	0.4
53.03934	1.0
55.01871	0.7
55.05499	2.1
56.96554	0.6
57.03433	0.7
65.03931	1.0
67.05511	5.4
69.03431	18.7
69.07049	2.0
70.60618	1.5
71.04970	0.8
79.05495	5.0
81.03398	1.5
81.07059	5.3
83.04958	0.9
83.08608	0.7
85.02884	0.6
85.06539	1.3
90.76825	0.4
91.05486	4.2
93.03369	0.5
93.07050	3.7
95.04942	0.8
95.08609	4.5
97.02879	0.4
97.06499	0.5
97.10138	0.6
105.07033	19.5
107.08595	6.5
109.06505	1.0
109.10139	2.2
117.07023	1.9
119.04930	1.5
119.08580	9.4
121.06512	2.6
121.10117	2.8
123.08060	1.2
123.11695	0.9
125.09634	7.5
128.06219	1.5
129.06978	1.1
130.07796	0.5
131.08578	2.5
133.06490	1.3
133.10146	4.8
135.08064	0.7
135.11673	0.9
142.07755	2.7
143.08553	5.9
145.10126	3.9
147.08023	0.6
147.11694	1.2
149.02344	5.7
149.05997	0.6
149.13234	1.0
151.03905	1.7
151.07536	0.8
155.08568	0.8
156.09378	1.0
157.10141	8.3
158.10530	0.5
159.11705	4.7
161.06003	3.0
161.09627	1.5
161.13242	1.1
163.03842	0.5
164.04683	4.8
165.01875	0.6
167.03401	5.5
171.11688	1.9
173.13190	0.7
175.03943	0.5
175.11197	0.7
177.05470	8.3
179.14317	1.2
184.12440	0.7
185.13330	0.6
189.05530	0.6
192.04187	7.0
195.11644	0.5
199.14828	19.2
205.04961	9.3
207.06531	100.0
208.06816	1.4
217.15881	3.2
219.06500	2.4
259.20541	0.7
261.22156	1.0
275.19925	0.6
299.09146	1.7
351.23465	0.6
369.24283	1.3
387.25131	0.7
405.20557	2.4
405.25861	0.9
414.84662	0.6
423.21765	6.2
423.26913	1.1
423.31610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
54.23363	2.0
55.05511	8.8
56.96564	2.8
57.07072	4.1
65.03949	2.1
67.05507	37.4
69.03446	3.4
69.07076	13.8
70.20116	2.5
70.20457	6.7
71.05000	4.1
79.05501	16.1
81.07063	29.4
83.05017	3.4
83.08613	5.0
85.06596	2.2
91.05488	25.4
93.07050	30.9
95.04970	4.8
95.08643	15.1
97.06515	2.7
105.07031	43.0
107.04994	4.1
107.08595	36.1
107.09264	2.7
109.06544	8.8
109.10156	65.6
115.05470	2.8
115.28093	1.9
117.07077	6.3
119.08588	37.4
119.09356	3.8
121.06522	20.8
121.10177	5.2
123.08054	10.3
128.06262	5.2
129.07037	5.8
131.08592	14.2
133.06531	3.8
133.10167	12.4
135.08012	10.7
135.11720	8.7
141.07036	3.5
142.07790	19.4
143.08569	26.5
145.10133	22.4
145.97603	2.1
147.08098	3.3
147.11710	5.7
149.02377	4.4
149.06053	6.6
149.09668	3.4
149.13281	3.4
151.03903	24.5
155.08549	6.0
156.09364	5.4
157.10143	52.8
159.11703	21.9
161.06055	5.9
161.09618	18.0
161.13280	3.7
163.03958	3.2
164.04747	3.8
165.01839	5.1
169.10181	4.2
170.10907	5.4
171.11703	14.8
173.11803	2.5
173.13313	6.0
177.05489	60.5
177.12730	2.6
179.14296	13.4
181.05002	2.9
183.11716	4.3
184.12541	3.6
185.13222	5.4
192.04237	5.2
199.14844	81.8
201.16611	4.0
203.07109	3.5
205.04976	100.0
207.06538	80.8
208.06975	2.8
215.07248	2.6
217.15976	8.0
229.08449	3.5
256.21915	2.6
257.08145	2.9
287.13107	3.4
309.10779	2.3
315.16470	5.3
323.12979	7.3
331.26413	11.5
333.17578	7.7
349.14557	2.8
349.27386	2.6
365.17798	3.9
387.19504	6.2
405.20776	30.1
423.21857	77.9
423.31018	23.3
424.22131	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	423.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22130	2.3
50.33051	2.2
53.03942	2.4
55.01872	3.3
55.05502	8.7
57.28138	2.2
59.04992	2.3
65.03922	2.2
67.05508	26.9
67.05848	3.5
69.07069	12.8
69.95839	4.4
69.96230	5.3
79.05489	18.3
81.06644	2.8
81.07066	36.6
82.46760	2.2
83.04947	2.6
83.08609	5.8
91.05486	78.0
93.07050	23.2
95.04942	2.4
95.08627	29.2
95.86074	2.0
97.06506	3.0
98.21474	2.7
103.05454	5.5
105.03355	3.0
105.07041	38.9
107.04930	2.9
107.07965	2.4
107.08614	27.9
109.06489	3.2
109.10169	38.4
112.96390	2.1
115.05433	5.4
117.07014	8.0
119.08584	24.6
121.06516	6.4
121.10155	20.8
123.10942	2.5
123.11729	27.4
129.07019	4.2
131.04929	4.8
131.08580	12.8
133.10135	25.6
135.04401	2.0
135.08015	7.5
135.11674	14.2
139.11243	2.7
141.06918	2.6
142.07867	2.1
143.08517	10.3
145.06482	4.2
145.10121	12.9
146.07205	4.3
147.11691	15.7
149.02322	10.8
149.05951	2.3
149.09691	2.8
149.13257	5.2
151.03908	6.9
157.10179	13.9
159.11725	11.0
161.06023	4.4
161.09662	5.7
161.13313	11.3
165.01834	8.8
165.06979	2.5
166.07755	5.1
167.03345	10.5
171.11731	6.3
173.11850	2.3
173.13243	7.8
175.07608	4.9
175.14828	4.3
177.05472	23.6
177.16429	3.2
178.07698	2.9
179.08458	3.5
179.14314	3.0
181.10117	5.2
183.02921	5.8
183.11768	2.5
185.13142	4.0
187.14842	2.8
189.05504	11.6
189.09233	4.7
189.16428	5.8
191.08575	6.1
199.14828	12.5
201.05508	2.3
201.16370	14.0
203.07059	7.7
203.08836	2.7
203.17990	32.8
205.05013	20.6
207.06537	21.9
209.09627	4.4
213.16376	2.8
215.17973	6.6
217.08568	9.9
217.15895	4.6
217.19540	3.3
219.06418	3.5
229.19476	2.8
234.10306	2.4
237.09175	7.6
239.10715	5.6
241.19536	4.7
245.07916	2.5
251.06912	4.0
252.07700	2.8
255.20946	4.3
261.09018	3.1
267.10193	100.0
268.10565	3.8
269.11713	3.1
273.08917	2.6
277.12067	2.5
279.09940	3.6
281.08218	2.4
281.11807	3.3
283.05994	10.0
283.09607	6.8
285.07703	4.4
285.11221	6.3
295.13333	17.4
297.11157	8.2
301.07077	4.4
305.11703	30.4
323.12793	66.3
324.12759	2.8
325.14575	2.4
331.26727	2.1
341.13751	5.8
387.19736	5.6
405.20853	41.2
405.35233	21.5
423.21588	9.2
423.31287	2.2
423.36197	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.4
51.38631	2.1
55.05504	4.8
57.03431	2.1
57.07067	3.9
63.57573	1.8
65.03933	3.6
67.05508	38.3
68.87965	1.7
69.07064	11.3
69.93745	1.8
69.96429	3.2
69.96776	8.2
79.05486	16.9
81.07056	24.8
83.04975	1.9
83.08636	2.6
86.91224	2.0
91.05476	28.3
92.30878	1.8
93.07046	27.9
95.04967	4.6
95.08611	10.4
97.06571	3.7
105.07040	45.2
107.04986	2.7
107.08604	36.0
109.06528	6.6
109.10165	58.0
115.05441	2.9
117.07048	3.8
119.08590	30.1
121.06507	19.8
121.10152	5.5
123.08080	10.5
124.03130	1.9
125.09670	2.4
128.06245	7.2
129.07042	7.1
131.08582	10.3
133.10176	9.1
135.04471	2.8
135.08070	8.4
135.11705	10.0
137.06015	3.8
141.07028	2.1
142.07764	19.7
143.08574	20.8
145.10118	25.9
147.04453	2.3
147.08163	2.6
147.11731	5.8
149.02353	2.4
149.06013	5.3
149.13242	2.5
151.03917	25.4
155.08649	2.3
156.09372	6.4
157.10147	53.5
159.11700	14.7
161.06052	7.3
161.09619	17.6
161.13312	2.7
163.03989	3.5
164.04736	4.9
165.01866	6.3
165.06931	1.8
167.03345	2.7
169.10204	4.9
170.10953	7.1
171.11722	16.7
172.12515	2.2
173.09669	2.6
173.13277	6.5
177.05487	66.6
179.14316	12.1
183.11736	2.4
184.12506	3.4
185.13304	3.6
189.05508	3.4
192.04205	4.2
195.11772	2.8
197.78432	2.0
199.14841	84.2
200.15288	3.3
201.16463	6.0
203.07037	10.0
205.04971	100.0
207.06528	78.2
215.07141	2.8
217.15939	7.1
229.08630	3.1
231.06496	2.3
241.08754	3.3
251.06844	2.4
255.10153	2.5
257.08258	2.1
267.10236	4.0
269.08447	2.0
269.11765	3.4
283.06302	2.7
287.12906	4.6
323.12912	5.4
331.26440	7.1
337.14459	2.9
349.27164	3.7
350.52893	2.3
367.15564	2.8
387.19687	7.0
405.16238	1.4
405.20728	26.7
423.21802	75.1
423.30539	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	423.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07913	1.4
53.03953	2.6
55.01869	4.1
55.05508	6.0
57.03429	3.0
65.03938	1.7
67.05508	4.1
69.03428	13.4
69.07070	10.0
69.34534	11.4
71.04998	1.8
79.05489	4.7
81.03420	5.3
81.07062	8.7
83.04979	3.0
83.08624	4.0
85.02908	12.4
87.00848	9.2
91.05474	10.2
93.07042	9.9
95.04964	4.3
95.08612	12.8
97.02879	11.2
97.06538	2.0
99.04445	1.9
105.01857	3.6
105.07046	17.8
107.08588	10.8
109.02878	3.5
109.06522	1.9
109.10189	6.9
111.04464	2.3
111.08074	1.9
115.03919	3.7
117.06988	3.2
119.08588	65.2
121.06464	1.7
121.10162	19.6
123.08066	2.5
123.11668	2.1
127.03918	6.2
128.06149	1.8
129.01804	1.4
131.08560	7.0
133.10143	64.1
133.92461	1.4
134.10933	4.5
135.08078	2.3
135.11708	3.2
143.08553	3.9
144.09239	1.4
145.06508	1.5
145.10126	12.8
147.08035	1.8
147.11693	18.8
149.13293	2.8
156.09354	2.1
157.10115	4.0
158.11011	2.2
159.08122	1.4
159.11714	5.0
160.12465	2.7
161.09584	1.9
161.13322	7.7
167.07050	1.4
170.10915	1.4
171.11711	3.3
173.13248	17.3
175.14836	100.0
177.16360	13.1
185.09717	2.3
185.13243	1.8
187.14798	6.6
189.09067	1.8
191.14288	1.9
197.07948	1.6
199.14789	2.2
201.03996	3.3
203.14360	1.8
205.15913	9.5
211.14969	1.7
215.14293	1.8
217.15892	3.6
231.04962	3.3
241.16011	2.0
255.17430	2.0
283.16946	7.7
301.18051	6.8
319.19250	2.8
387.17932	3.2
395.56583	1.7
405.19009	6.4
423.20221	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	423.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.0
53.03948	12.6
55.01876	3.3
55.05510	10.1
57.03425	4.4
57.07067	3.0
62.70008	1.7
67.05508	22.1
68.99798	3.0
69.03431	21.5
69.07079	13.6
69.57478	13.3
71.01357	2.4
71.04988	8.1
79.05505	10.9
81.02975	3.8
81.03421	49.5
81.07060	21.3
83.04976	12.6
83.08612	5.6
85.02914	14.3
86.09702	4.6
87.00830	7.6
91.05474	15.2
93.07052	16.2
95.04958	10.2
95.08613	27.6
97.02901	100.0
97.06527	3.7
97.10162	2.2
98.21475	3.6
99.04446	8.7
105.07015	14.9
107.04939	6.0
107.08609	25.3
108.31648	2.2
109.02886	69.5
109.06512	9.6
109.09452	3.2
109.10162	38.6
110.03661	3.6
111.04433	2.4
111.08109	3.0
117.07017	4.2
119.08593	18.6
120.08100	5.2
121.06502	3.2
121.10172	12.1
123.04438	6.6
123.08037	11.3
123.11704	15.6
125.05996	2.3
125.09602	2.5
127.03920	57.1
128.06250	2.8
129.07025	2.4
131.08588	5.4
133.06451	2.7
133.10123	13.8
135.08072	5.2
135.11699	28.9
137.05925	2.6
137.09668	9.6
141.06979	2.3
142.07794	3.8
143.08563	4.6
145.06535	2.4
145.10132	5.4
147.11682	6.3
149.13269	4.3
151.03896	5.5
151.11209	4.9
151.14818	4.4
153.12767	2.5
155.08574	3.6
156.09358	2.5
159.08089	2.5
159.11703	4.6
161.09616	2.5
161.13318	2.8
163.07626	2.0
167.07069	6.9
167.10634	2.8
169.10118	2.4
171.11679	4.3
173.09578	2.5
173.13181	5.7
175.11263	2.6
175.14845	15.8
185.09657	3.2
187.11226	2.4
187.30026	1.9
191.14345	2.5
193.12210	2.2
193.15857	23.0
201.12753	2.6
203.10797	2.8
203.14346	2.6
211.16931	7.0
213.03937	41.7
215.14249	2.0
217.12141	3.5
221.15260	2.4
225.12802	2.0
228.56833	2.0
231.13850	2.4
259.16849	2.8
273.18622	2.3
277.39325	2.0
283.16919	6.7
285.64532	2.2
291.19519	2.7
301.17963	15.0
304.62869	2.1
319.19077	17.3
379.10062	10.7
405.18823	7.1
423.08899	15.9
423.14673	3.2
423.16827	2.1
423.20538	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	423.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
56.05025	0.5
56.96569	1.1
57.03426	0.6
57.50812	0.4
67.05484	0.5
69.03432	1.6
69.07084	0.5
69.10201	0.3
70.06593	1.4
70.97309	0.4
71.57375	0.6
72.08139	0.5
73.02911	0.5
74.06084	1.0
78.70484	0.4
81.03421	1.0
83.04982	0.5
84.04502	1.0
84.08146	1.8
84.96043	0.6
85.02921	2.2
85.06545	0.4
86.09696	0.5
86.43456	0.3
87.04511	0.4
95.04973	0.7
96.04553	0.3
97.02888	1.3
98.06060	0.4
98.97598	3.0
100.97049	0.4
101.07176	0.4
102.09190	1.1
105.06998	0.3
109.02901	0.6
110.07200	0.4
111.04464	0.4
115.03959	0.3
115.42401	0.4
116.98634	0.8
118.06527	0.3
120.08115	1.3
123.04433	0.5
127.03872	0.9
127.07566	0.6
128.98611	0.6
129.10193	0.4
130.03264	0.4
130.06502	0.7
135.03331	0.4
135.04286	0.4
136.07597	0.5
137.05986	0.6
140.07047	0.4
143.00195	0.4
147.04398	1.0
147.07712	0.4
151.03938	0.4
158.99667	0.7
175.08681	0.4
176.03850	0.4
177.00797	0.4
201.08099	0.6
219.01886	0.8
219.07129	0.6
219.09120	0.6
237.02873	1.0
243.09212	0.4
261.13071	10.7
261.17880	2.1
361.92407	0.5
363.13257	1.9
405.17209	0.7
423.18402	100.0
424.18399	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	423.1805
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
55.05508	2.4
56.96567	0.7
65.03951	5.8
67.05508	5.2
69.03441	3.5
69.07066	3.3
69.91026	1.5
69.91439	2.6
79.05487	4.0
81.03441	1.0
81.07057	7.9
82.15173	0.7
83.08627	1.0
89.03917	0.8
91.05496	6.9
93.03410	3.0
93.07055	5.6
95.01308	1.2
95.04954	2.1
95.08612	5.3
97.06540	0.8
103.05482	1.3
105.03384	1.8
105.07037	8.9
107.04976	1.7
107.08593	6.4
109.06540	3.8
109.10167	7.0
117.03387	1.2
117.07026	3.3
119.08587	12.8
121.02883	4.8
121.06512	4.8
121.09415	0.7
121.10116	3.6
123.08070	2.3
123.11682	1.8
125.09645	1.8
127.11223	0.9
128.06215	1.1
129.06995	1.0
131.01282	6.2
131.04924	1.1
131.08577	2.0
133.02838	3.4
133.06520	1.0
133.10132	2.6
135.04428	4.6
135.08040	2.1
135.11642	1.6
137.02376	1.4
137.05969	2.2
141.06990	1.1
142.07722	1.1
143.08556	2.8
145.02829	3.5
145.10130	7.1
147.04384	3.2
147.08041	1.7
147.11674	2.0
149.02350	100.0
149.09645	1.1
149.13242	1.3
150.02657	0.9
151.03912	3.1
151.11180	2.9
153.01837	2.0
155.08456	0.7
156.09258	0.7
157.10159	4.4
159.11667	2.0
161.06001	1.3
161.09656	1.7
161.13292	1.3
163.03918	41.7
165.01859	6.4
165.07094	0.8
167.03413	98.3
168.03754	1.0
171.11632	0.9
173.13277	1.0
175.03853	3.8
175.07530	0.7
175.11307	0.9
177.01831	1.8
177.05490	13.5
179.07037	1.9
179.14267	2.5
181.05002	5.4
183.02928	2.8
183.08115	0.7
187.14914	0.8
189.05453	1.7
191.07025	1.5
193.05034	0.9
199.14883	3.7
201.05547	0.8
201.16396	1.2
203.03383	5.9
203.07039	5.3
205.04976	14.8
207.06516	5.5
207.08191	0.8
211.07603	1.0
211.14699	0.7
213.05312	1.0
217.04794	0.9
217.08607	1.1
217.15868	0.9
219.06570	1.5
221.04288	1.0
229.04993	1.7
229.08591	2.4
239.07176	1.2
241.08694	1.1
243.06345	1.2
251.07108	1.1
253.08519	1.1
257.08035	3.4
259.09698	4.6
265.08685	1.2
267.06525	5.1
267.10205	1.6
269.08383	1.4
269.11642	2.7
283.09613	3.9
285.07602	44.9
286.07852	1.0
287.12790	14.5
295.05734	0.8
297.07675	3.6
299.05585	1.1
301.07159	1.0
303.12402	1.4
305.13858	2.2
321.13190	1.1
323.12622	0.8
331.26236	1.4
396.94568	0.7
405.16345	7.2
405.20837	2.9
405.35388	0.9
423.17606	14.0
423.22067	3.4
423.30948	4.1
423.36203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
57.03431	1.7
69.27048	10.5
72.08165	1.4
81.03400	4.5
85.02892	2.8
85.86980	1.1
90.12569	1.1
91.05480	2.5
103.05430	1.4
107.00888	1.3
107.04967	1.4
121.06529	3.0
123.08117	1.3
133.06508	2.3
135.08022	2.8
136.05150	1.6
147.08032	6.0
148.05156	3.7
149.05989	1.6
151.07591	3.9
161.06012	4.8
163.07556	11.5
164.08331	1.8
165.05571	1.4
166.06264	3.1
168.07845	1.6
176.08328	16.0
177.05606	1.6
177.09183	7.1
178.09901	51.5
179.06998	2.0
179.10703	7.1
180.07867	2.2
181.08611	38.7
194.09387	6.9
195.10187	9.8
207.10175	18.3
209.11748	100.0
210.12115	1.5
225.11261	15.6
227.12917	1.7
230.26190	1.1
271.93710	1.3
305.13995	2.6
357.73309	1.2
405.12851	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03664	0.9
53.03919	1.1
54.29887	0.8
56.95501	0.9
56.96567	9.5
57.03454	2.1
58.99592	9.0
60.25558	0.8
61.02920	2.4
65.03936	1.6
67.05509	7.5
69.03133	0.8
69.03437	9.1
69.07072	20.0
69.49254	2.1
69.49660	5.2
71.04990	1.3
72.08147	1.1
72.09809	0.8
73.02914	2.1
76.02223	2.7
79.96914	1.0
81.03412	3.9
84.08118	1.2
84.96036	1.9
85.02911	16.7
86.09738	0.8
87.04477	1.4
88.03992	1.1
93.07043	1.0
95.04977	3.1
97.02891	6.7
98.97593	41.6
99.02665	2.7
99.04482	1.7
101.04249	51.0
109.02860	3.1
110.06059	1.0
110.97594	6.1
111.22966	1.0
112.07597	4.1
112.99127	3.1
116.98634	14.0
117.39319	0.9
124.99101	1.3
126.05508	1.2
127.02126	6.5
127.03910	5.3
127.05777	2.7
128.98621	4.9
129.03714	2.0
130.08598	1.7
131.00169	3.2
134.99643	2.0
137.05956	1.8
140.07082	8.6
143.00168	3.7
144.13818	2.6
145.04970	2.2
146.99658	2.2
147.04420	1.1
149.01222	1.5
152.12582	0.9
155.01711	1.7
155.04642	0.9
156.03334	2.8
158.99669	10.8
161.01268	2.2
167.06985	0.9
168.03319	2.0
168.04695	1.1
170.06342	2.5
170.99643	3.5
171.03346	1.2
172.04289	100.0
173.01187	1.3
173.04662	1.9
174.04385	2.2
177.00737	8.4
180.04666	1.3
182.08070	2.2
182.99731	1.2
184.55331	0.9
186.04417	4.6
187.04628	1.9
189.00699	1.9
189.04294	2.3
193.03702	1.1
197.04837	1.0
197.07404	2.7
198.05843	7.0
201.00723	3.5
201.04417	2.0
204.05409	2.6
214.05394	11.2
215.06349	1.4
215.08528	7.9
217.07484	1.1
219.01791	12.9
219.05399	2.1
224.91003	0.9
225.04425	0.9
227.06729	1.1
228.05431	2.4
229.03761	1.1
229.05786	2.3
231.01607	1.1
235.06448	1.2
237.02853	12.7
238.05316	1.2
239.08525	1.2
243.05466	2.3
244.06451	11.0
247.06786	2.0
261.02811	2.0
261.09064	19.9
261.18109	2.0
265.06586	1.3
279.03793	1.0
284.11029	0.9
286.07373	2.6
291.03897	2.8
291.07388	3.2
298.88007	0.9
303.10117	1.8
307.07162	1.1
309.08548	7.3
323.06839	0.9
334.09491	5.1
335.10205	2.1
345.08560	1.6
363.09503	6.0
377.13821	10.0
381.10916	5.8
423.14700	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.9
57.03428	4.1
67.39399	3.0
69.03431	16.6
69.07097	3.6
70.06588	14.0
71.04984	4.2
71.55482	5.8
72.08159	5.3
79.05525	3.8
81.03407	10.0
81.07078	4.3
84.08135	4.1
85.02917	19.6
86.09710	7.7
87.04449	3.1
91.05486	25.9
93.07052	5.9
95.04951	4.6
95.08602	5.3
97.02880	12.8
98.97608	5.3
99.04445	6.0
100.59181	3.4
105.07030	5.6
109.02894	5.4
109.18731	3.6
115.05515	4.5
120.08109	7.2
121.06528	8.0
121.10141	4.6
122.02399	5.6
122.06027	3.4
126.05559	3.8
127.03947	6.1
129.07016	8.1
135.08057	3.7
137.05954	4.8
138.05554	4.5
139.07544	4.7
139.11226	4.1
140.03345	4.0
145.06317	4.4
145.08563	6.1
147.08032	8.0
149.07388	5.9
149.09581	3.5
151.07526	3.4
156.08080	16.2
157.08707	4.0
161.05983	6.4
163.07536	13.6
170.34659	3.5
174.09155	72.2
176.08284	16.6
177.09013	6.8
178.09917	58.0
179.06969	4.2
179.10664	8.3
181.08601	40.1
194.09401	7.2
195.10158	14.6
207.10197	24.8
207.13719	4.3
209.11749	100.0
225.11127	14.3
225.14827	12.7
241.09711	13.2
243.11290	4.5
253.09735	4.3
255.11348	5.1
259.10867	6.2
283.10617	5.2
293.11722	7.9
301.11896	9.9
323.35059	4.0
327.09769	11.0
345.10721	7.8
345.14481	8.2
387.11856	6.5
404.08438	10.9
404.12866	8.4
405.12888	15.5
422.09418	9.3
422.13748	17.7
422.22964	6.4
423.13898	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	421.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01884	0.6
55.05508	1.4
56.96547	1.1
57.03439	0.6
57.07082	21.8
58.56533	0.4
65.03924	0.5
67.05504	3.4
69.03424	0.7
69.07063	2.7
70.06588	0.7
71.04980	0.6
71.57554	0.6
71.93582	0.4
79.05505	2.3
81.07057	5.3
83.04993	1.0
83.08612	0.6
85.06525	1.5
88.07647	0.8
91.05493	3.5
93.07055	4.3
95.04981	0.7
95.08605	3.7
97.06559	0.8
97.10163	0.6
98.97582	0.5
102.09205	1.2
103.05494	0.5
105.07040	3.9
107.04942	0.5
107.08594	3.6
109.06518	1.6
109.10175	2.5
111.04421	0.8
111.08092	0.5
117.07014	1.2
119.08577	3.3
121.06518	1.8
121.10124	1.7
123.08040	0.8
123.11708	1.3
125.07117	1.9
126.05515	2.6
129.06996	0.8
131.04858	0.6
131.08588	3.7
131.53043	0.5
133.06464	0.6
133.10129	2.3
135.08078	1.6
135.11691	1.5
137.05995	1.7
143.08572	0.7
145.10109	2.9
147.08051	0.4
147.11684	1.6
149.02362	3.1
149.09637	0.9
149.13319	0.5
151.03920	2.3
151.07513	0.6
155.08559	0.8
157.10110	1.5
159.11678	2.5
161.09637	0.8
161.13222	1.2
163.14908	0.5
165.12756	0.4
171.11646	0.9
173.09752	0.4
173.13214	0.9
175.11147	0.5
175.14833	0.8
177.05502	1.8
177.12695	0.5
177.16289	0.4
179.07022	0.5
179.14337	0.5
183.11600	0.5
185.13307	0.5
187.14828	1.4
189.16365	0.6
191.11801	0.5
193.04991	3.6
197.13274	0.9
199.14795	0.9
201.16341	1.1
203.06987	1.1
203.18069	0.5
205.05009	1.7
207.13780	0.5
208.14464	1.1
209.12886	7.3
210.11299	0.7
215.14348	0.7
215.17912	0.5
218.12907	2.4
219.06592	0.8
219.11310	1.3
256.26413	1.7
269.08121	0.6
275.17538	5.0
292.20212	4.9
293.18631	5.5
297.07639	1.1
302.18628	10.5
316.04767	0.5
316.54788	0.6
319.26257	1.0
329.21060	0.8
329.24915	0.5
347.25809	6.0
350.64148	0.4
358.24838	1.2
365.27167	1.1
376.25961	100.0
377.26147	3.7
380.06805	0.5
393.29953	0.6
394.26892	1.4
403.33371	0.8
421.11948	0.8
421.20349	0.9
421.30084	3.6
421.34897	1.6
422.29068	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	421.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01870	6.8
55.05515	18.5
57.03442	10.6
57.07078	11.9
59.05018	1.3
61.24842	1.2
63.61184	1.2
65.03945	1.9
67.05164	2.5
67.05510	35.2
69.03426	1.7
69.06718	2.9
69.07071	32.0
69.43065	10.6
70.15298	1.2
70.67344	1.2
71.05000	4.3
71.08630	2.6
79.05494	21.5
81.03461	1.3
81.07063	41.9
83.04987	6.8
83.08633	9.2
84.11034	1.3
85.06557	9.5
88.54113	1.3
91.05486	16.3
93.07050	38.3
95.04971	7.9
95.08610	38.8
97.06530	14.6
97.10188	3.3
99.08110	2.4
105.07036	14.1
107.04950	2.4
107.08607	32.4
107.09196	1.2
109.06534	21.3
109.10154	14.7
111.04430	7.4
111.08112	5.6
117.07056	3.1
119.08598	18.0
121.06542	4.5
121.10148	14.7
123.08079	12.0
123.11704	4.7
125.05980	8.1
129.06981	1.9
131.04951	1.5
131.08585	5.8
133.06535	2.0
133.10153	11.3
135.08061	22.6
135.09113	1.4
135.11699	20.1
137.05986	21.1
137.06947	2.1
137.09639	3.5
137.13277	2.6
139.07562	2.7
139.11252	2.1
143.08545	3.4
145.10109	7.4
147.08052	2.0
147.11713	8.1
149.09659	5.5
149.13268	5.2
151.03902	1.7
151.07565	11.7
151.11272	3.6
153.12753	5.8
157.10158	4.1
159.11722	5.8
161.09663	5.5
161.13333	4.5
163.11227	2.6
163.14827	2.0
165.01898	4.8
165.09117	1.6
165.12735	7.1
167.14407	3.8
171.11755	2.3
173.09694	1.8
173.13303	3.9
173.14684	1.3
175.11189	3.1
175.14844	1.8
177.05521	3.4
177.12752	9.4
179.10907	1.9
179.14378	7.9
181.12271	7.7
185.13510	1.6
187.14980	1.3
189.16393	2.1
191.14330	2.8
193.12286	2.7
195.13901	2.2
201.16457	2.7
203.07367	1.2
203.14410	2.9
203.17946	1.5
205.05040	4.2
205.15840	1.9
207.13873	1.5
215.14487	1.5
217.14288	1.4
219.17445	2.1
221.19084	4.5
233.18959	2.3
235.20580	3.2
237.05576	1.8
249.18529	1.7
250.09050	1.5
263.20181	5.6
267.10327	1.5
269.08093	25.4
269.10855	1.6
287.23776	2.3
297.07614	2.4
299.08514	2.9
301.25482	1.5
303.19766	1.7
303.27026	2.1
305.24768	95.7
306.25339	3.3
319.26294	29.7
329.21329	2.9
329.24850	6.0
337.27505	2.1
347.25833	100.0
348.26434	3.7
365.26974	11.3
393.30093	7.1
403.19858	1.2
403.28412	4.5
403.33218	1.8
421.20526	2.4
421.29636	43.5
421.34702	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	421.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.6
55.01868	4.4
55.05516	8.6
55.59534	0.9
56.96572	1.0
57.03437	10.0
57.07081	38.0
65.03903	1.1
67.05509	15.4
69.03419	1.8
69.07076	13.5
71.04998	2.3
71.08643	1.3
71.56283	1.5
79.05491	8.3
81.07064	29.5
83.04983	4.6
83.08621	6.0
85.06547	17.4
91.05482	10.1
93.07059	14.3
95.04964	3.0
95.08607	19.1
97.06566	4.8
97.10179	2.1
99.08130	1.1
105.03401	2.2
105.07042	11.2
107.08605	17.9
109.06522	18.3
109.10156	7.6
111.04430	3.2
111.05234	0.9
111.08103	4.3
117.07005	2.4
119.08585	13.9
121.06537	1.6
121.10149	8.1
123.08067	11.3
123.11710	3.8
125.06007	2.3
127.86131	1.0
129.07021	2.0
131.08566	3.9
133.02864	2.9
133.10139	8.1
135.04427	2.2
135.08066	19.6
135.11691	6.4
137.05991	23.4
137.09619	2.4
137.13292	1.5
139.07541	2.7
143.08530	1.7
145.06438	1.3
145.10121	4.8
147.07985	1.7
147.11700	4.5
149.09628	5.1
149.13289	3.8
151.07552	7.3
151.11189	4.4
151.14883	1.2
153.12799	2.6
157.10182	3.4
159.08098	1.4
159.11731	4.2
161.09669	3.1
161.13269	3.8
163.03946	3.2
163.11131	2.6
163.14835	1.5
165.09169	1.1
165.12787	9.0
171.11638	1.1
173.13272	1.3
175.11212	1.4
175.14784	1.0
177.05479	1.8
177.09178	1.0
177.12756	5.7
179.14320	4.2
181.05013	4.8
184.07419	1.0
185.13084	1.2
187.14795	1.6
189.12799	2.1
191.14288	2.6
193.12250	2.2
197.01900	1.0
197.13274	1.8
203.07045	2.7
203.17928	1.1
205.04990	2.2
205.15956	1.1
207.13783	8.1
213.16367	1.3
215.14375	1.3
215.17972	1.6
233.19000	2.4
257.08151	2.7
263.20139	4.8
277.18109	1.5
299.09177	3.7
301.25253	1.9
301.53876	1.0
305.24832	1.8
319.26358	13.7
329.24841	3.6
337.27353	7.8
338.27945	1.0
347.25836	100.0
348.26169	3.7
357.95316	1.0
365.26840	20.1
393.29959	11.6
403.19296	1.8
403.28555	3.0
421.20529	2.4
421.29556	55.6
422.29645	2.2
441.48172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.2
55.05511	21.5
55.42004	2.4
55.73024	2.2
57.07070	9.1
57.39369	1.9
65.03931	3.5
67.01868	5.0
67.05506	39.5
69.03434	4.4
69.07075	38.0
69.89364	5.5
69.89781	8.7
77.06699	2.2
77.93327	2.5
79.05502	29.7
81.07063	100.0
83.04956	2.5
83.08638	14.8
91.04944	4.2
91.05484	43.8
93.07049	62.4
95.04980	6.0
95.08614	92.0
97.10162	9.1
105.03474	2.6
105.07043	53.2
107.04966	24.2
107.08606	66.3
107.38255	2.3
109.06511	9.4
109.10160	60.2
111.11762	2.4
115.05419	2.9
117.07041	5.0
118.72300	2.7
119.07787	3.6
119.08588	53.7
121.06498	8.4
121.10148	59.8
123.04353	2.7
123.08097	5.8
123.11726	28.0
128.06287	2.9
129.07002	5.7
131.08577	13.0
132.34364	2.1
133.10136	38.0
135.04428	73.8
135.08043	4.5
135.11705	40.1
137.05994	22.4
137.13231	12.5
142.07777	2.6
143.08594	10.1
145.06461	3.4
145.10139	21.1
147.08046	2.9
147.11713	33.0
149.05960	11.1
149.13254	23.9
151.03896	3.2
151.07573	3.5
151.14886	3.1
153.05473	4.2
155.08572	3.3
157.10184	9.6
158.10831	3.0
159.11702	15.7
161.05978	10.2
161.09569	2.6
161.13290	27.4
163.03920	55.8
163.07555	13.5
163.14825	19.5
169.10062	4.5
171.11652	4.3
173.09663	2.7
173.13264	10.5
175.07559	8.2
175.14835	19.6
177.05507	13.2
177.09135	12.6
177.12811	3.6
177.16429	13.0
185.09709	3.5
187.14796	10.4
189.05492	6.6
189.09103	9.7
189.16350	17.2
191.10692	4.4
191.17917	7.5
197.13168	3.9
199.14777	5.9
201.09171	4.0
201.16422	8.0
203.07045	13.8
203.10661	8.8
203.17955	28.8
205.04996	14.5
205.12209	5.7
213.16426	3.3
215.07013	7.6
215.10686	6.7
215.14314	2.9
215.17996	13.1
217.12244	4.2
225.16333	2.7
227.10690	3.3
229.12256	5.0
231.10257	3.9
231.13786	5.2
243.10146	6.6
243.13837	3.2
245.15417	6.6
257.11896	5.6
257.15399	9.1
257.22632	5.7
258.23386	6.0
263.20105	34.3
267.10223	2.7
269.11826	5.0
269.15421	2.9
279.06500	3.8
281.08087	3.3
283.13403	5.3
285.14972	9.1
297.07544	11.4
297.14822	6.4
299.16455	2.7
302.92844	3.0
305.04257	2.8
311.16504	6.6
323.16147	2.7
325.18011	9.2
339.19345	2.9
351.19534	5.2
365.21027	6.3
398.48715	2.5
403.19150	3.7
421.20248	4.9
421.27325	67.4
421.34500	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	421.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.05507	0.8
58.98924	0.3
60.59931	0.3
65.03952	0.4
67.05497	0.9
69.07072	2.3
69.31045	2.7
71.04990	0.4
79.05505	1.7
81.07063	5.8
83.08636	0.3
86.86816	0.3
91.05488	4.3
93.03397	0.3
93.07048	2.1
95.01324	0.4
95.04965	0.6
95.08614	2.8
97.10139	0.3
103.05442	0.3
105.07050	2.5
107.04971	1.1
107.08612	2.2
109.06554	0.5
109.10149	1.7
117.07006	0.6
118.04169	0.4
119.08582	2.2
121.02880	0.4
121.06516	1.3
121.10135	1.1
123.00784	0.8
123.04419	1.0
123.08112	0.3
123.11713	0.8
127.11232	0.3
129.07033	0.5
130.07770	0.3
131.04906	0.4
131.08549	1.1
133.06473	0.8
133.10159	1.1
135.04457	0.5
135.08049	0.6
135.11678	1.0
140.06279	0.4
141.07007	0.4
143.08601	0.7
145.10139	1.3
146.03314	0.3
147.11685	0.8
149.02350	3.5
149.13333	0.6
151.03923	1.2
151.07297	0.3
152.01050	5.7
152.06190	0.3
153.01811	1.1
153.07001	1.3
155.08603	0.6
157.10162	0.7
158.07228	0.3
159.11710	1.0
161.05992	1.5
161.13257	0.5
163.03931	0.5
167.03435	3.3
168.05698	2.3
169.10143	0.6
170.02129	2.7
171.11621	0.5
173.13316	0.5
175.14838	0.5
177.05502	1.0
179.03343	0.4
179.08609	0.4
181.06512	0.4
183.08049	4.7
183.11607	0.5
185.05986	0.3
185.13266	0.4
186.06743	0.7
187.14821	0.9
189.05414	0.4
191.17804	0.3
196.05205	1.2
197.06013	0.4
199.14774	0.4
201.09109	0.3
201.16428	0.6
203.07054	0.8
203.17900	0.3
205.04994	0.8
211.07539	4.7
213.05365	0.7
213.16431	0.4
214.06247	1.1
215.06990	0.3
215.14345	0.3
215.17949	0.6
219.17480	0.4
225.05537	0.4
227.18019	0.6
229.08617	10.5
237.09056	0.4
239.07077	2.9
241.04938	0.7
242.05777	1.9
253.05101	1.5
257.08139	1.1
267.10229	1.6
269.04474	2.4
269.11557	0.3
270.05310	2.4
283.09644	1.5
284.06888	0.4
285.07593	100.0
286.07953	1.8
287.12827	0.7
291.39771	0.3
296.24338	0.3
341.10104	0.4
403.19177	0.6
404.77710	0.3
421.15387	0.5
421.20502	3.0
421.24966	0.5
421.34805	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	421.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.3
55.05513	17.6
56.96571	29.9
57.07074	9.1
59.00256	2.7
65.03938	2.7
67.01873	5.1
67.05510	34.0
69.07071	38.6
69.74902	15.2
79.05511	19.5
81.07062	65.5
83.08646	17.0
91.05491	26.8
93.07042	40.5
95.04964	3.0
95.08615	72.2
97.10181	10.1
105.07040	47.6
107.04962	39.2
107.08601	63.5
109.06541	5.3
109.10159	61.2
111.11709	4.3
117.07038	5.8
119.08582	44.6
121.06517	8.5
121.10143	41.7
123.11710	22.0
131.08548	14.7
133.10150	40.6
135.04431	100.0
135.08067	3.9
135.11679	31.4
137.06033	20.9
137.13277	7.6
143.08565	8.0
145.06502	3.0
145.10143	25.0
145.52702	3.1
147.11685	36.7
149.05991	9.7
149.13295	23.1
151.03867	3.7
153.05476	6.6
157.10158	9.6
159.07866	3.1
159.11703	17.3
160.45566	3.4
161.06007	9.3
161.13242	22.8
163.03920	67.6
163.07558	17.5
163.14850	12.6
166.85510	3.0
173.05875	2.7
173.13301	12.1
175.07599	8.9
175.11200	3.0
175.14841	11.6
177.05466	8.0
177.09148	12.0
177.16431	9.6
185.13377	3.4
187.07573	4.8
187.14833	10.7
189.05484	9.1
189.09192	8.9
189.16431	18.9
191.10674	6.5
191.18028	8.0
201.09189	6.9
201.16425	7.2
203.07025	8.3
203.10753	11.9
203.17961	28.5
213.16298	4.6
215.10701	9.4
215.17973	12.9
217.12254	4.7
217.19502	7.1
229.12300	4.4
231.10236	5.3
231.13809	3.6
241.12326	3.7
243.10167	4.9
243.21083	3.4
245.15427	4.6
245.22806	3.5
255.10252	5.2
257.11829	8.0
257.15393	3.6
257.22714	8.2
258.23514	12.4
267.10379	4.1
269.11703	6.7
271.13290	7.7
283.13242	7.5
285.07660	12.8
285.14746	3.7
297.07605	3.5
297.14908	4.9
299.16498	3.5
309.14883	6.0
311.16479	12.6
323.16537	5.8
325.17950	5.7
336.13571	13.1
337.18054	3.8
339.19647	7.3
351.19601	8.0
353.14502	7.8
354.14658	39.1
365.21176	22.4
371.15134	3.1
372.15643	13.6
377.16357	3.4
379.22699	4.9
403.33881	3.2
421.18835	6.6
421.27451	99.9
421.33685	7.5
422.27927	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	421.2013
Annotation	Nitiducol
Peak:m/z	Relative Intensity
55.05485	0.7
57.07038	0.9
59.05670	0.3
64.23021	0.3
67.05459	1.1
69.07078	1.8
69.57128	2.0
71.08595	0.7
73.54282	0.3
79.01855	2.1
79.05471	0.9
80.14499	0.3
81.07075	1.9
87.88767	0.3
89.06012	1.1
90.04678	0.4
91.05446	1.0
93.07001	1.1
95.08640	1.6
97.10093	0.4
98.20685	0.3
105.07047	2.1
107.08599	1.7
109.10173	1.9
119.08601	1.8
121.10114	1.2
123.11705	0.5
131.08516	0.9
133.06479	0.9
133.08612	0.7
133.10097	0.9
135.04443	2.3
135.11699	0.7
137.02274	0.5
141.01813	0.5
143.08595	0.4
145.10149	1.6
147.11655	0.6
149.13263	0.6
157.10086	0.8
159.11667	0.8
161.13226	0.4
165.01842	3.4
169.10129	0.3
171.11674	0.5
173.13336	0.6
175.14748	0.3
183.02811	0.9
183.11826	0.5
185.13298	0.4
187.14760	0.5
189.16422	0.4
198.06750	0.4
199.07494	0.4
199.14828	0.6
201.16399	0.6
213.16393	0.4
215.17987	0.4
225.05392	0.4
225.16405	0.5
226.06212	0.6
227.06953	0.4
227.18169	0.3
254.05800	5.3
255.20905	0.3
269.08127	1.0
273.07489	0.7
282.05258	7.5
283.05908	0.3
285.07700	0.7
297.07602	100.0
298.07999	2.2
311.09131	0.5
331.87924	0.3
341.26630	0.7
369.58353	0.3
403.33566	0.9
415.29416	0.3
421.20181	10.4
421.29602	0.6
421.34821	3.8
422.20596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2013
Annotation	Nitiducol
Peak:m/z	Relative Intensity
52.95566	0.3
53.03923	0.3
53.10592	0.3
53.26695	0.2
55.05500	0.5
56.53041	0.3
60.76035	0.2
67.05470	0.9
67.43320	0.2
69.07081	1.9
69.20823	2.9
79.05475	0.9
79.06790	0.3
81.07073	1.9
86.86834	0.2
89.03916	0.6
91.05485	1.4
92.99156	0.3
93.07068	1.4
95.04968	0.3
95.08620	1.8
98.21540	0.4
105.03409	0.3
105.07011	1.2
107.08624	1.5
109.06510	0.3
109.10150	1.3
115.50056	0.3
117.03345	0.6
117.07005	0.3
118.13578	0.3
119.08556	1.2
120.02042	0.3
121.06498	0.7
121.10128	1.1
123.11717	0.8
128.77824	0.3
130.18852	0.3
131.08551	0.8
131.46381	0.3
133.10127	1.0
134.03648	11.7
135.04358	0.8
135.08022	0.3
135.11673	0.9
135.88460	0.3
137.05983	0.8
141.06984	0.7
142.07701	0.4
142.08685	0.4
143.08569	0.5
145.10126	1.1
147.11707	0.7
149.02345	2.2
149.06010	0.5
149.13280	0.7
151.03961	1.6
152.06190	0.9
153.06995	2.6
153.68716	0.3
155.04918	0.5
155.08556	0.5
157.10081	0.5
159.11723	0.7
160.09677	0.4
161.02361	0.5
161.13258	0.4
163.03893	0.5
163.07625	0.2
165.07018	0.4
166.02628	0.5
167.03381	1.2
168.04291	0.2
169.06445	0.8
169.10207	0.3
170.07271	0.7
171.08047	0.3
171.11717	0.4
173.13329	0.3
177.05478	0.7
181.06493	4.3
183.04454	0.8
183.11682	0.3
185.13271	0.4
187.14809	0.3
189.16411	0.4
195.54079	0.3
197.05946	0.4
198.06772	0.9
199.14925	0.5
201.16502	0.4
203.07097	0.6
203.17967	0.4
205.05017	1.3
207.06497	0.5
209.05998	3.3
210.06712	0.4
211.07536	0.5
219.06586	0.3
225.05559	2.6
226.06209	4.0
227.06944	0.4
237.05482	8.7
239.07101	0.8
241.08551	0.6
253.05101	0.4
253.08575	0.3
254.05663	1.4
265.04984	8.0
269.08096	1.6
270.08997	0.7
271.09659	0.7
281.04495	3.1
282.05255	17.7
283.05844	0.5
294.05133	0.4
297.07599	100.0
298.08109	3.7
299.09106	3.1
309.07645	1.9
311.09225	0.6
323.09198	0.6
335.12814	0.5
337.10773	0.5
353.13727	0.4
365.09583	0.3
379.44235	0.3
401.40906	0.3
403.18872	0.5
421.20135	65.2
421.35239	1.8
422.20532	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	421.2012
Annotation	4'-Methoxy-7-O-[(E)-3-methyl-7-hydroxymethyl-2,6-octadienyl]isoflavone
Peak:m/z	Relative Intensity
52.54951	0.7
53.03906	0.8
55.01868	0.7
55.05469	2.4
55.05721	0.6
56.53997	0.7
56.90579	0.6
57.07032	3.3
57.07285	0.9
67.05511	3.4
69.03406	0.9
69.07070	3.4
69.84518	3.1
71.04990	0.7
72.06500	0.6
72.28064	0.7
73.45216	0.7
79.05444	3.2
81.07063	7.6
83.08568	1.6
91.05488	6.9
92.10988	0.7
93.07052	7.0
95.04933	1.8
95.08625	7.8
103.05420	1.5
105.07046	9.4
106.81391	0.6
107.04951	1.0
107.08591	6.7
109.06492	1.5
109.10162	5.2
115.05437	1.6
117.06952	2.2
119.08585	7.2
121.06468	2.0
121.10147	4.6
123.08057	1.0
123.11650	2.8
128.04375	0.7
128.06242	1.0
129.06955	2.0
131.08580	6.4
133.10172	3.5
135.04428	1.4
135.08070	6.4
135.11708	4.8
141.06924	2.0
142.07735	3.0
143.07486	1.2
143.08565	18.8
145.06407	1.0
145.09033	1.0
145.10130	13.4
147.11670	3.7
149.06075	0.8
149.09647	1.0
149.13242	2.0
151.02737	1.0
151.03925	17.5
153.07018	1.1
155.08566	13.4
156.09346	4.6
157.06503	0.9
157.10146	12.1
159.08037	2.5
159.11684	3.3
161.06001	1.5
161.13222	2.0
163.07478	2.1
163.14842	1.0
164.04689	1.7
167.08530	2.6
169.10144	5.4
171.11684	3.3
173.09639	2.9
173.13242	3.8
175.14807	2.5
176.04645	2.2
177.05504	7.9
179.03296	0.9
181.10159	1.2
182.10933	7.3
183.08023	1.0
183.11646	2.0
185.13225	1.4
187.14850	4.2
189.16470	1.6
191.07034	13.5
192.04161	2.7
193.10222	1.0
197.13278	25.4
198.13762	1.0
199.14818	7.6
201.16412	2.0
203.06961	3.8
203.17981	1.4
204.04158	2.6
205.05002	6.6
207.06543	28.3
209.13264	1.1
211.14815	1.3
213.16370	1.3
215.14369	1.6
215.17926	1.3
219.06543	100.0
220.06990	2.1
225.16431	2.1
227.18027	1.0
251.14388	2.0
253.15930	1.7
255.21185	1.0
267.10278	1.4
267.21054	0.9
269.22598	0.9
271.51694	0.8
285.07748	1.3
359.12961	0.8
361.14349	5.0
375.16022	3.2
385.17709	1.4
403.19073	51.4
403.33713	2.3
404.19556	2.2
421.20288	30.6
421.34799	10.0
422.20459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
54.46186	0.6
55.01863	0.8
55.05512	2.2
57.07071	1.5
60.00325	0.7
65.03912	0.8
67.05496	3.7
68.99788	0.6
69.03428	8.0
69.07063	2.4
71.04989	0.9
71.16221	1.4
79.05503	6.4
81.03427	4.5
81.07061	7.9
83.04988	2.2
85.02892	2.5
85.06562	0.8
87.00822	2.5
91.05486	7.9
93.06549	0.6
93.07048	4.7
95.04960	2.5
95.08616	3.7
97.02895	2.9
99.04459	1.2
103.05473	1.2
105.07038	10.7
107.04951	5.1
107.07861	1.0
107.08599	20.3
109.02879	3.9
109.06499	2.7
109.10158	6.8
115.05458	2.7
117.07012	2.5
119.08566	5.4
121.06516	2.3
121.10139	10.9
122.07298	7.3
123.08089	1.2
123.11729	0.7
127.03920	12.3
130.07819	0.7
131.08603	3.4
133.10135	100.0
134.10474	2.2
135.07071	1.0
135.08066	8.0
135.09189	5.9
135.11668	1.6
137.06020	1.1
137.09619	56.1
138.09975	0.9
143.08563	2.0
145.10118	2.7
147.11682	2.5
149.09666	3.1
149.13261	6.7
151.11188	0.8
151.76697	0.6
157.10092	0.8
159.11760	0.8
163.14827	1.8
171.11649	1.3
173.13280	6.3
181.08638	0.6
187.11174	0.7
189.12798	0.8
191.14308	43.7
192.14619	1.1
201.12781	0.9
213.03966	4.8
229.12555	0.7
231.04977	1.5
259.14441	2.8
403.17493	1.0
421.18710	1.8
421.24768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.01873	10.6
55.05505	16.2
57.03432	5.7
57.07069	13.4
67.05508	27.5
68.99808	4.8
69.03437	33.0
69.07076	22.3
71.04974	7.4
71.58450	4.7
79.05496	30.9
81.03426	52.0
81.07062	34.7
83.04983	19.1
83.08609	13.2
85.02921	40.4
85.06567	9.7
87.00848	9.6
91.05482	37.7
93.07056	53.9
95.04961	17.7
95.08623	43.1
97.02924	32.7
97.06496	7.3
99.04448	10.2
100.54574	3.5
105.07032	40.2
107.04980	13.0
107.08607	100.0
109.02880	32.7
109.06512	19.2
109.10167	46.1
111.04533	7.9
111.08115	6.1
113.06030	4.2
115.05481	6.0
117.07024	14.4
119.08592	26.4
121.02900	5.6
121.06532	12.0
121.10153	63.2
123.08073	15.8
123.11712	7.9
127.03944	42.3
128.06253	6.3
129.07034	4.5
131.08583	25.4
133.06516	4.3
133.10144	47.4
135.08083	19.9
135.11691	13.6
137.06023	9.4
137.09564	6.4
139.07614	4.4
141.06921	3.9
142.07799	3.9
143.08531	7.1
145.05037	4.1
145.06487	18.6
145.10077	17.5
147.08041	13.0
147.11691	14.2
149.05971	5.2
149.09647	11.6
149.13284	36.6
153.09119	4.8
155.10683	10.7
156.09326	5.0
157.10168	12.5
159.08096	8.0
159.11751	13.4
161.09608	8.1
161.13232	7.8
163.07581	13.6
163.11180	4.3
163.14799	18.2
167.08730	4.4
169.10175	5.3
171.11699	13.0
173.09596	7.6
173.11859	7.1
173.13292	19.6
175.07458	4.8
175.11217	8.0
187.11179	5.7
189.12787	10.4
191.07014	8.5
191.14366	16.3
195.11659	4.1
197.09645	4.8
199.11169	6.2
201.09294	4.8
201.12859	6.2
203.14371	5.2
207.14001	3.8
213.03999	11.5
213.12761	6.5
215.10745	4.2
215.14500	4.4
216.78545	3.6
217.12102	4.1
227.14252	4.0
231.13919	9.1
239.14253	7.3
257.15509	5.1
259.13480	6.5
275.16498	5.6
281.15469	7.0
299.16422	16.5
317.17447	13.4
335.18597	5.0
341.35675	4.8
377.19870	7.5
403.17566	13.9
421.09735	4.9
421.13016	4.4
421.18262	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	421.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	11.8
53.23935	2.2
55.01863	6.7
55.05508	9.5
57.03436	3.7
60.04528	3.4
61.02939	2.7
61.34077	2.7
67.05508	12.1
68.99812	3.6
69.03437	25.3
69.07068	5.7
69.49760	17.8
71.04984	6.6
79.05502	20.9
81.03424	41.2
81.07055	14.1
83.04980	13.4
83.08626	8.0
84.05172	2.8
84.08117	2.2
85.02913	28.6
86.09708	4.4
87.00843	6.6
91.05486	19.3
93.07057	26.0
95.04998	11.7
95.08609	18.7
97.02280	4.8
97.02903	100.0
97.06531	4.2
99.04463	13.2
105.07038	15.6
107.04964	4.8
107.08614	56.2
109.02890	50.1
109.06530	9.9
109.10169	14.7
111.04443	3.4
115.03954	8.3
117.07012	6.9
119.04954	2.8
119.08553	10.9
121.06505	9.4
121.10168	16.3
123.04384	3.5
123.08064	7.8
125.09636	5.4
127.03929	78.6
129.07086	3.2
130.06558	9.5
131.08578	7.3
133.06493	3.3
133.10141	10.4
135.08072	8.9
135.11710	4.0
137.05989	7.0
137.09598	8.4
143.08557	2.7
145.04883	2.6
145.06543	2.5
145.10143	7.1
147.08084	4.7
147.11691	7.3
149.09647	4.4
149.13295	7.1
153.09039	3.6
155.08531	2.9
157.10086	2.6
159.11668	2.9
161.05962	3.1
163.07574	2.6
163.14844	3.8
171.11758	4.0
173.13286	6.6
175.07542	4.0
175.11113	3.0
189.12708	4.4
191.14310	12.4
193.08598	3.7
205.12233	2.7
209.15366	10.8
213.03992	25.1
215.10684	3.2
219.13779	2.6
227.08315	3.1
251.08267	4.5
261.37973	2.8
262.12042	2.8
284.92926	2.3
290.11261	3.5
299.16534	4.1
307.07037	2.2
317.17557	9.9
325.08395	4.7
335.07880	2.6
377.12006	2.5
403.17664	4.6
421.09790	2.8
421.19336	13.0
421.23663	3.7
442.15646	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	421.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05244	0.9
52.76333	0.9
53.03951	1.2
55.01877	2.5
55.05515	3.0
56.96566	34.0
57.03441	6.3
59.04990	1.3
61.02928	3.6
63.24024	0.9
67.05515	1.1
69.03435	15.3
69.34981	4.5
69.35403	3.9
70.03747	1.3
70.06593	3.6
71.04993	3.5
71.95270	1.6
72.08159	5.3
73.02921	6.8
73.06557	2.2
74.97621	1.1
81.03422	6.8
81.04529	2.2
81.07074	1.8
82.06584	1.6
83.01351	1.1
83.04985	3.9
84.08149	6.4
84.96037	7.2
85.02903	25.1
85.06543	2.6
85.08922	3.6
86.03265	2.1
86.09715	1.6
87.04466	4.5
91.03938	1.2
91.05490	1.8
93.07059	1.3
95.04981	1.8
96.04519	1.3
97.02343	1.9
97.02902	15.9
97.06559	1.2
97.96812	1.0
98.03223	1.7
98.09721	2.2
98.97588	100.0
99.04478	3.5
99.97923	1.8
100.07631	3.1
100.99140	1.4
102.05548	2.4
102.09191	7.2
102.96933	1.3
103.05495	1.0
103.09515	2.5
104.01330	1.0
106.02920	1.4
109.02872	3.8
110.01292	1.4
110.06042	4.6
110.07191	1.1
110.09625	1.1
110.97575	17.1
111.04455	2.4
112.07613	3.3
112.99136	10.0
113.06033	1.9
114.05557	1.3
115.00716	1.6
116.98626	37.0
117.05505	1.2
119.00191	1.5
119.01836	2.7
119.04936	2.9
121.06562	1.4
124.02785	1.5
124.03948	1.4
124.99105	2.5
125.03537	1.0
125.07106	1.5
126.06287	1.3
126.09177	3.7
127.00694	2.7
127.03945	9.0
128.02322	1.8
128.10695	4.9
128.98616	14.3
129.02196	1.4
129.11070	1.6
130.93306	1.6
131.00177	6.4
131.01833	1.3
133.03375	2.3
134.99651	7.6
137.06009	5.9
138.05513	4.1
138.09221	1.2
139.03375	1.2
139.05783	1.3
140.00200	1.7
140.02295	2.5
142.08638	1.0
143.00119	7.4
143.01901	2.3
143.08185	2.7
144.98158	1.4
145.01732	7.5
145.04985	3.4
146.04218	1.3
146.99681	6.1
147.03210	2.7
147.04420	3.5
149.01239	3.9
152.98616	2.2
153.05525	1.2
155.00143	1.7
155.04666	8.3
156.03372	2.7
156.06578	2.5
157.01747	2.8
158.99661	32.0
160.00017	1.2
160.03918	2.0
161.01236	5.7
161.02911	2.1
161.04840	1.4
162.99130	2.0
163.02760	3.7
163.03970	1.3
164.05183	1.2
167.07050	2.0
168.01982	1.1
168.03419	2.3
168.05473	1.8
168.98120	2.1
169.01743	3.3
169.04405	10.7
169.54662	1.1
170.99657	5.3
171.01157	6.1
171.03311	3.7
172.94365	2.0
173.01276	4.4
173.02905	1.9
173.04755	1.0
174.04391	1.6
174.11264	7.8
175.02821	4.5
177.00723	20.3
177.04294	2.0
177.05870	2.4
178.01076	1.8
178.04955	18.8
178.55150	2.9
185.01231	1.6
186.04428	5.6
186.99171	1.8
187.02821	8.3
189.00720	3.8
189.04390	4.2
189.55707	1.6
190.95287	1.6
191.02321	3.2
191.03873	1.1
191.05902	1.8
193.03833	3.9
198.09480	1.4
199.02820	4.6
201.00735	4.3
203.02234	2.1
204.05453	3.2
205.03821	3.8
211.02875	1.4
211.04953	1.5
212.12874	1.9
214.03943	1.1
214.07794	6.2
214.58168	1.2
214.95316	1.8
215.02193	1.4
216.05341	1.5
217.03923	4.0
219.01767	25.0
219.05289	1.3
220.02531	2.4
227.06932	6.7
227.09085	1.7
227.56863	1.3
228.05455	3.3
229.03850	4.0
229.06157	1.1
230.13882	5.1
231.01604	1.2
231.05443	2.5
232.96579	2.5
233.06876	4.6
235.02896	1.3
235.04987	3.2
236.05182	1.3
237.02841	32.3
238.03264	1.6
240.05797	1.7
241.03912	4.4
241.07483	1.9
243.05612	1.7
245.08183	3.3
246.06647	1.5
249.02721	1.5
249.06511	1.5
250.07082	7.6
251.04460	1.9
253.03862	2.0
255.04016	1.6
259.04993	1.7
259.16519	4.2
260.05533	1.5
261.02747	1.8
267.10745	1.1
271.04865	1.3
272.10254	4.1
273.02695	1.6
274.97650	2.0
275.00806	3.3
279.03967	1.9
285.59741	2.8
286.09906	1.9
286.97925	1.0
288.14352	1.7
289.05502	1.3
291.04230	1.7
291.07489	13.4
292.07834	2.3
293.01935	1.0
294.11438	4.3
294.61990	5.4
295.07501	1.7
295.10443	51.4
295.60751	9.8
301.05276	1.3
303.07492	1.6
307.06949	1.8
309.08624	24.4
310.08966	3.5
317.02109	1.5
319.06430	1.6
321.08530	1.8
329.19086	1.5
335.10095	2.2
337.08093	1.9
351.09503	1.6
355.09161	1.4
361.07779	6.2
361.11780	3.9
362.18030	7.2
379.09256	3.3
379.13260	1.7
389.21140	10.3
403.08951	1.6
421.10010	3.8
421.14551	4.2
421.23825	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	421.1344
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03428	1.2
65.72411	0.6
69.03430	3.7
70.81295	0.5
71.07939	1.1
81.03411	0.7
81.04534	0.8
81.53891	0.6
81.78690	0.5
82.55576	0.6
85.02917	3.4
87.04482	1.7
95.06081	0.5
97.02893	2.0
98.97618	0.6
109.02907	0.9
115.03928	1.3
125.07096	0.6
127.03924	100.0
133.04959	1.1
143.08228	0.7
145.05008	0.7
173.56458	0.5
204.69405	0.6
210.45029	0.5
222.61839	0.6
227.55154	0.6
259.16507	2.0
280.47656	0.6
289.09225	2.5
350.02655	0.6
421.17029	1.4
421.21866	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05494	3.0
55.05729	0.7
56.05045	3.5
56.96567	1.3
57.64648	0.7
62.01590	0.7
63.08175	0.6
67.05508	8.4
68.05020	2.2
69.07075	5.0
70.06597	60.1
70.11710	3.3
79.05497	8.8
81.07062	8.9
83.08617	1.1
86.06071	10.9
88.07621	0.7
91.05495	7.6
93.07053	8.6
95.04980	0.8
95.08603	7.0
95.84354	0.7
96.08141	3.4
105.07039	3.7
107.04976	3.3
107.08595	3.8
109.10148	2.6
110.53906	0.7
114.05534	26.1
114.09178	31.7
117.07072	0.9
119.08577	2.0
121.10146	3.0
123.11733	0.9
123.57496	0.7
131.08536	1.4
133.10167	1.7
135.11697	1.5
142.08643	65.0
145.10089	1.5
159.11705	0.9
160.09700	100.0
161.09979	1.1
253.00192	1.7
253.04593	1.0
300.77075	0.6
319.26288	2.4
374.30688	2.8
420.31110	74.5
421.19922	1.0
421.31467	1.6
442.79959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01877	2.0
55.05515	8.5
56.05032	1.2
56.96568	18.4
57.03426	3.0
58.06591	3.0
59.05011	1.3
60.04530	1.5
61.02927	1.9
65.03951	1.4
67.05492	2.5
69.03439	9.8
69.96901	1.7
69.97308	2.7
70.06595	4.4
70.98116	1.0
71.05003	1.6
72.08157	6.4
73.02916	3.7
73.06556	1.4
79.05515	0.8
81.03431	5.0
81.04536	0.7
82.04202	0.8
82.06584	6.2
83.04990	18.9
84.04486	1.5
84.08147	7.9
84.96033	4.6
85.02910	14.9
85.06538	2.5
85.08450	1.4
85.08929	17.6
86.06074	1.8
86.09708	1.1
87.04470	1.8
87.08102	1.5
91.03941	0.9
91.05495	1.4
93.03428	4.9
93.07063	1.2
95.04966	2.7
95.06109	1.4
96.04491	6.2
96.08143	1.3
97.02896	9.0
97.06534	3.2
97.99217	0.8
98.04865	0.9
98.09717	5.3
98.97589	53.4
99.04461	3.6
99.97952	1.2
100.07623	9.2
100.11245	1.9
101.00795	0.8
102.05567	1.0
102.09191	32.1
108.08126	3.3
109.02882	2.9
109.07686	0.8
110.06052	22.2
110.09704	2.0
110.97578	10.9
111.04458	9.0
112.07632	4.2
112.99150	2.7
113.07118	3.8
114.05518	5.0
115.03934	1.1
115.07591	1.9
116.98630	17.1
119.01840	1.1
121.02975	0.8
121.06507	1.7
122.06044	1.1
123.05615	2.6
124.03961	3.8
124.99173	1.8
125.05994	12.0
126.09179	4.5
127.00712	1.3
127.03929	3.5
127.69713	0.8
128.00241	1.1
128.07080	5.0
128.09795	1.7
128.10727	25.3
128.98607	7.8
130.08647	1.8
131.00209	1.7
133.04971	0.8
134.06020	1.1
134.99652	4.3
136.07597	1.3
137.05998	3.2
137.07104	4.5
138.05510	19.5
138.06523	1.5
138.09143	2.7
139.03911	1.8
139.05049	2.6
140.98607	2.1
141.06625	1.3
143.00185	4.6
144.98146	1.4
145.01773	2.5
145.04991	2.0
146.04137	0.9
146.06050	0.9
146.11734	1.6
146.99683	3.8
147.03262	3.3
147.04414	2.1
149.01195	1.0
152.07048	2.3
152.98615	2.2
154.08745	1.1
155.04672	3.8
155.08133	7.2
156.03384	1.6
156.06566	19.1
156.10190	1.2
157.04955	1.6
157.06160	1.5
158.99661	16.9
160.13347	2.1
161.01236	3.7
162.99083	1.2
163.02788	1.9
163.08681	1.2
164.02347	1.1
164.05203	1.0
165.04379	1.8
165.06657	1.9
168.03300	1.4
170.08266	1.0
170.99666	4.3
171.03255	1.0
172.02765	0.9
173.01181	1.5
173.09256	2.7
174.00946	1.3
174.07642	2.6
174.09070	0.7
174.11296	5.1
175.02762	1.2
177.00700	11.6
177.05667	1.0
177.10329	1.1
181.06104	2.6
183.07718	2.4
186.04460	2.8
188.12845	2.7
189.00737	2.9
189.04350	4.4
191.02327	1.0
193.03751	1.2
197.09235	18.2
197.11000	0.9
198.04399	1.5
199.02783	1.1
199.07181	4.8
201.00742	3.8
201.04388	1.6
201.08766	2.5
204.05394	1.9
205.09740	2.1
206.08150	8.7
206.13893	1.5
207.05373	1.1
213.04417	1.0
214.03932	1.1
215.10254	8.7
216.05518	3.3
216.08783	1.2
217.03734	1.1
217.08267	4.1
219.01785	22.1
223.10974	1.3
227.06868	2.0
227.56935	1.2
228.05565	2.9
229.03844	1.0
231.05461	1.5
232.96501	1.1
234.06531	4.6
237.02831	24.7
237.12392	1.2
240.05782	5.1
249.02928	1.1
249.06151	1.2
250.07091	2.5
255.04369	1.1
255.13283	4.1
258.13428	1.1
261.02829	1.1
265.11929	3.2
266.10254	4.4
276.07813	1.8
283.12921	12.9
288.14325	2.3
291.07538	15.4
294.11591	2.3
295.10434	2.0
301.13791	1.9
303.07437	5.0
309.05072	2.0
309.08585	30.6
315.15616	2.5
321.08591	7.1
325.13925	6.3
328.18692	10.9
330.08844	1.0
333.16681	3.3
343.14990	4.1
360.09653	6.3
370.19754	3.3
374.08731	1.2
375.12903	0.9
375.17587	3.8
378.10828	4.3
388.20822	46.8
392.12692	1.2
402.22150	1.2
420.11609	23.9
420.18637	6.9
420.23486	100.0
421.23654	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	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.1
57.03444	16.9
61.02927	6.4
62.57397	1.1
65.03939	1.4
67.28916	0.9
69.03431	19.5
70.72755	1.4
70.73064	1.5
71.01356	1.7
71.48983	1.0
73.02924	38.8
81.03404	2.3
85.02905	31.7
85.86594	1.0
87.04461	4.0
91.05485	100.0
92.05794	1.1
97.02895	44.1
99.04440	1.6
105.07059	2.2
109.02891	1.1
115.03928	33.1
117.07018	1.9
127.03927	9.6
129.06969	2.0
133.04974	11.7
133.06493	3.7
145.04959	12.9
145.06078	1.7
145.06448	1.3
150.07607	3.1
157.06424	1.4
161.04466	2.5
163.06015	4.0
171.07971	1.4
175.07527	1.1
193.05040	1.7
199.07559	1.0
217.08530	2.4
223.05988	1.6
235.09621	1.7
241.07088	3.5
248.43925	1.1
253.10683	3.2
259.08127	3.2
295.10028	1.4
334.15509	1.0
376.16452	3.8
403.07681	1.7
420.15341	4.8
421.09177	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	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.4
55.01865	9.2
55.05505	14.8
55.76173	3.6
57.03416	7.3
57.07066	6.9
60.10874	3.5
61.02919	9.9
67.05500	11.0
68.99771	6.9
69.03139	4.2
69.03439	39.0
69.07070	20.8
69.18227	20.0
69.18658	18.8
73.02922	10.1
79.05495	21.1
81.03425	31.1
81.07066	95.3
83.08616	29.6
85.02908	100.0
85.06554	5.1
87.00844	41.8
88.20256	3.3
91.05464	13.8
93.07038	30.7
95.04976	6.6
95.08616	30.3
97.02908	45.8
97.06533	7.5
97.10150	5.9
99.04436	12.3
103.03946	4.5
105.01855	37.6
105.07030	36.6
107.05005	3.8
107.08589	18.2
108.04498	4.9
109.02917	24.0
109.06515	8.9
109.10121	7.2
111.11722	8.5
115.03941	28.0
117.01879	5.1
117.07001	7.4
119.08549	23.4
119.90015	3.9
121.06518	5.1
121.10157	10.8
123.08042	3.7
123.11699	6.5
125.02318	4.2
127.03938	49.0
128.04106	3.5
129.01840	7.0
131.08562	8.3
133.04974	4.2
133.10197	7.8
135.08020	4.8
135.11723	4.5
137.13266	38.5
139.11185	8.4
142.07727	5.2
143.08598	9.3
145.04955	18.6
145.10120	8.6
147.02856	5.3
147.08080	4.9
147.11687	50.2
149.13264	49.7
151.07539	14.8
157.10095	7.9
159.02942	17.6
159.11726	26.4
161.04442	11.6
161.13292	31.4
163.14781	4.6
165.12773	15.5
171.11716	4.5
173.13274	7.1
177.12756	5.9
177.16473	3.7
179.14342	6.0
185.13223	8.1
189.12776	11.0
191.14275	7.3
199.14761	8.9
201.03981	5.2
203.14244	7.2
217.15805	4.4
219.05009	10.7
221.15288	5.0
227.14304	21.8
231.04945	8.8
238.04988	7.3
241.04878	8.6
242.05339	8.6
245.15413	33.5
248.07721	4.9
249.06223	4.0
253.07394	4.3
256.06174	3.8
263.16449	29.3
270.04984	8.9
271.05502	3.9
281.17621	4.7
331.15765	3.9
349.16422	14.2
367.17471	15.6
385.18704	5.2
402.10660	7.1
420.11224	25.3
420.33340	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	420.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	21.0
58.56996	2.3
59.05008	2.7
59.92222	2.1
60.43035	2.7
61.02937	4.4
69.03432	74.1
70.06586	5.2
71.57516	4.1
72.08175	4.6
75.04493	2.6
79.05497	3.2
81.03419	3.4
84.08134	2.8
85.02912	57.8
86.09691	2.7
87.04474	47.9
91.05487	100.0
97.02901	79.1
99.04475	2.5
105.07027	4.1
105.88962	2.6
107.04956	11.2
115.03937	91.2
127.03934	8.3
129.07059	3.4
133.04976	94.4
133.06505	5.4
145.04988	11.2
145.06493	3.3
150.07651	12.4
157.06439	3.6
159.08096	2.6
175.07530	3.4
180.24916	2.7
200.09702	2.6
205.08632	4.3
223.09602	12.2
228.26123	2.6
235.09666	3.5
240.15938	2.4
241.07005	3.3
269.07718	3.6
270.07816	3.4
277.09167	4.0
295.10120	4.2
298.07828	2.8
300.08444	3.9
334.15567	12.2
348.62595	2.7
376.16666	29.3
402.11456	6.9
410.07275	2.4
420.15787	41.6
421.09589	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	419.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.07067	0.6
67.05495	0.6
69.07066	0.6
71.00618	0.9
71.08603	0.6
81.07047	0.8
93.07063	0.6
95.08612	0.5
99.00838	0.8
99.04454	3.3
105.07032	0.6
107.08630	0.6
109.10198	0.4
111.04449	2.5
119.08597	0.5
125.06001	11.0
135.35710	0.4
138.35674	0.4
141.05467	4.7
145.10097	0.9
147.11716	0.6
149.02359	0.6
153.05475	100.0
154.05830	1.3
166.87138	0.5
167.07066	0.7
179.75043	0.5
285.50363	0.5
397.46683	0.5
419.35245	31.8
420.35699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	5.0
69.03416	0.6
69.20868	3.9
70.06591	0.9
73.02908	0.4
81.03416	0.7
83.97637	1.5
84.96029	2.0
85.02923	2.8
97.02912	1.2
98.20792	1.0
98.97594	17.9
109.02871	0.5
110.97572	5.5
111.86480	0.4
112.99155	0.4
116.98631	4.7
122.02399	3.9
124.99118	1.2
127.03930	2.2
128.00243	2.3
128.98645	2.7
131.00185	0.6
134.99619	0.9
137.05994	1.1
140.03430	2.0
140.98636	2.7
143.00188	4.0
144.98120	1.5
146.01285	3.0
146.99655	1.2
152.98613	5.3
155.99747	0.9
158.99675	3.9
161.01250	2.0
162.99199	0.5
164.02348	2.4
167.21788	0.4
170.99696	3.9
174.00769	1.8
177.00719	1.8
189.00699	1.3
189.04271	0.7
197.04930	0.6
201.00702	6.4
201.04337	1.3
213.04346	0.7
217.03886	1.2
218.07022	0.8
219.01784	30.5
225.04353	1.4
228.05482	1.1
237.02847	28.2
238.03165	0.6
242.03328	0.5
243.05501	0.7
255.03786	0.9
258.06403	0.6
259.16711	0.7
260.04501	0.6
273.06586	2.1
276.07565	1.6
284.07660	1.1
291.07516	1.6
303.07547	16.7
321.08609	31.4
322.09073	1.0
326.56674	0.5
392.12399	6.5
420.11838	100.0
421.11734	2.5
421.16800	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1914
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
53.03951	16.5
55.01864	18.8
55.05506	29.6
56.05009	7.7
57.03429	26.3
57.06852	7.8
57.07086	69.3
62.21732	7.2
67.05511	18.6
69.03426	38.4
69.07072	26.3
69.62116	6.2
70.06597	100.0
71.04986	38.1
71.07745	7.7
71.57552	10.3
71.57929	9.1
72.08144	29.6
73.02924	13.6
79.05483	15.3
81.03425	36.1
81.07066	64.8
83.04978	29.7
84.04516	35.8
84.08152	8.5
85.02908	98.1
85.06540	29.3
86.09696	11.8
87.00823	20.1
91.05459	13.8
93.07038	24.6
95.04973	20.5
95.08608	33.8
97.02894	46.3
97.06554	11.3
98.97601	14.5
99.04470	17.7
99.08103	50.1
105.01881	15.9
105.07020	13.9
107.08604	19.1
109.02872	25.8
109.06520	13.5
109.10131	26.3
111.08073	18.8
112.08648	7.5
115.08769	8.7
116.07109	9.3
120.08112	57.2
121.06518	8.6
123.11666	7.3
127.03912	44.1
127.11211	14.2
133.10101	10.2
135.08022	17.8
136.07645	15.4
137.09604	11.7
137.13202	10.9
145.04982	18.5
145.17786	6.4
149.05968	7.5
151.07611	7.2
151.11166	28.2
153.09064	9.0
153.12756	89.4
155.14343	88.9
156.04160	6.9
159.02921	15.7
164.07051	9.2
169.13380	9.0
171.06485	20.2
171.10077	7.7
171.13776	31.2
177.12669	8.8
181.12286	8.4
193.12262	7.9
195.13799	18.9
197.12785	8.8
231.04892	10.3
245.59549	7.4
255.06450	13.5
257.07037	12.6
289.11795	17.8
303.05090	13.5
375.16357	14.3
401.17163	8.2
419.17889	12.6
419.22815	16.7
419.71207	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	419.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
69.03421	1.9
70.06587	1.2
71.53882	0.8
72.08175	0.9
73.02908	1.1
82.25384	0.6
85.02914	2.1
86.09757	0.8
91.05501	1.9
95.04915	0.8
95.08656	0.7
97.02907	1.9
97.41711	0.6
98.97575	0.8
99.04524	0.9
99.64847	0.6
107.04910	0.7
127.03912	1.1
130.91908	0.7
134.33551	0.6
137.06007	1.0
167.07088	1.0
171.09926	12.9
185.04269	0.8
199.09431	6.9
213.11214	0.8
215.70653	0.6
268.07172	0.8
269.07346	1.1
270.07925	0.9
299.08301	0.9
315.14139	2.4
333.11230	0.9
333.15225	25.0
375.16266	59.6
376.16537	1.2
383.10297	0.9
419.15280	100.0
420.15640	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	419.1914
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
53.03953	10.1
55.01880	11.7
55.05513	5.7
57.03443	8.7
57.07082	22.0
59.05010	17.0
60.94985	2.0
61.02923	5.0
67.05515	12.0
67.05818	2.2
67.82818	2.3
68.99789	5.1
69.03439	42.9
69.07072	16.0
70.46558	6.7
71.05000	9.4
71.21744	2.1
72.81737	2.0
73.02923	8.4
79.05499	3.1
81.03425	45.9
81.03904	2.8
81.07063	7.5
83.04977	2.6
83.08617	4.5
85.02914	78.6
85.06544	9.8
85.10259	2.3
87.00836	32.3
91.03970	2.4
93.07055	9.8
94.61626	2.2
95.04984	3.0
95.08617	79.0
97.02901	28.1
97.06544	8.0
99.04463	20.8
99.08090	14.7
105.01886	24.2
105.07110	2.3
107.08607	8.8
109.02893	43.3
109.06512	11.0
109.10173	19.3
111.08089	9.3
111.11754	3.3
113.09657	71.9
115.03954	3.7
117.01855	6.3
127.03928	67.3
127.11211	9.9
129.01862	5.6
135.11711	19.9
137.13258	8.7
145.04970	21.2
147.02888	4.0
153.12756	100.0
154.13116	2.9
155.14319	23.0
159.02905	23.0
161.04518	2.4
167.07072	3.0
171.13837	25.7
189.04106	2.4
207.82584	2.3
211.07487	2.2
231.04987	11.7
239.07025	2.7
261.14966	2.2
328.11780	2.4
338.62537	2.3
419.18878	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	419.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
59.33246	1.3
64.24012	1.1
65.59093	1.1
68.99760	1.1
69.03426	2.5
70.06588	4.0
71.04993	1.8
72.08142	2.9
81.07094	1.2
84.08149	8.0
85.02911	5.0
85.06516	1.2
86.09706	2.3
87.00826	1.3
91.05466	1.7
91.83973	1.1
95.05016	1.6
97.02884	2.3
97.06527	2.4
98.07780	1.4
105.07118	1.4
107.04955	1.5
109.02878	1.9
125.09663	1.5
135.08029	1.2
137.05952	1.5
158.11853	1.5
167.06966	1.3
170.08148	1.2
171.09926	14.9
177.05573	1.3
199.09404	6.3
213.04190	1.4
239.07085	6.6
257.07959	3.0
315.14163	3.3
333.15222	26.0
333.19043	2.0
375.16309	100.0
376.16714	2.3
401.26685	1.6
419.15262	97.5
420.15677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.11
Annotation	Asp-TyrMe-OH
Peak:m/z	Relative Intensity
53.03019	0.5
55.05497	0.8
56.96577	1.0
67.05502	0.6
68.99794	2.0
69.07069	0.8
70.03149	2.4
79.05492	0.6
81.07054	1.5
91.05489	2.1
93.07047	1.4
95.08620	1.4
105.07041	1.9
107.08560	1.3
109.06530	0.6
109.10156	1.6
115.03923	4.6
117.07008	0.5
119.08595	1.3
120.40434	0.5
121.10140	1.0
125.24544	0.5
129.07016	0.5
131.08574	0.9
133.10188	0.7
135.11784	0.6
137.09695	0.4
143.03435	3.7
143.08582	0.8
145.10123	1.0
147.11749	0.7
151.03979	0.8
155.74225	0.4
157.10153	1.3
159.11702	0.7
161.13249	0.6
169.10098	0.9
177.05466	0.9
183.11636	0.5
201.16345	0.6
205.04866	0.6
211.14949	0.6
213.16368	0.6
263.23526	0.5
270.05603	0.7
277.19574	0.4
285.07736	1.0
343.09476	0.4
375.11896	0.8
419.11026	100.0
419.32770	2.2
420.11343	3.9
437.09555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16766	0.5
57.03432	0.9
59.05857	0.4
61.02925	1.8
63.20198	0.5
67.05510	0.5
68.99792	1.4
69.03416	1.3
71.04970	0.4
73.02923	12.1
73.55244	0.5
79.05455	0.5
81.07073	0.5
85.02905	1.5
90.73172	0.5
91.05485	0.8
93.07063	0.8
95.04987	0.4
95.08597	0.8
97.02905	0.6
103.05480	0.7
105.03371	0.9
105.07024	0.8
107.04975	1.0
109.02887	0.6
111.00785	0.8
115.03931	1.0
119.08612	0.5
121.02885	2.9
127.03849	0.9
131.08530	0.5
137.02350	0.9
147.04419	0.7
153.01834	5.2
157.06519	0.6
165.01878	2.3
167.07037	1.4
173.53671	0.4
181.04953	0.9
183.02887	1.1
185.05962	0.6
189.05409	0.6
213.05531	0.9
228.00935	0.4
231.06435	0.8
241.04984	0.8
249.11269	0.8
258.05344	1.3
259.05899	0.7
267.06543	1.1
268.07034	1.7
269.07190	1.8
270.07944	0.7
281.07245	0.7
283.08786	0.8
287.05515	100.0
288.05786	2.6
297.07489	0.8
298.07886	0.9
299.08264	3.0
309.10410	0.6
323.08066	1.4
337.09729	0.7
340.46484	0.5
353.09219	0.9
383.10229	1.7
401.11191	2.3
419.12598	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	419.0976
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01851	0.8
57.03437	0.8
61.02921	1.4
65.03938	0.5
68.99794	1.0
69.03432	1.1
70.33347	1.0
70.33746	0.9
72.08188	0.5
73.02922	11.9
81.07075	0.5
83.88910	0.5
85.02904	1.3
91.05469	0.6
93.07024	0.8
95.04983	0.8
95.08589	0.5
97.02931	0.7
105.03368	0.9
105.07024	0.6
107.04964	1.0
107.08641	0.7
109.02874	0.6
109.10204	0.5
111.00809	0.9
115.03914	0.8
121.02902	2.6
127.03913	0.8
137.02376	1.1
153.01840	4.1
157.06418	0.7
159.11633	0.5
165.01845	1.9
167.07118	0.7
169.06627	0.5
181.04936	0.7
183.02907	0.8
185.05936	0.5
198.98486	0.4
213.05530	1.4
228.98947	0.6
231.06590	0.5
241.05104	0.7
241.18240	0.4
258.05151	1.0
267.06567	1.2
268.07089	1.1
269.07224	1.7
270.08099	0.7
287.05518	100.0
288.05801	2.0
297.07480	0.9
298.08005	1.1
299.08240	2.7
323.08475	0.8
353.09601	0.5
383.10355	0.8
401.11395	2.9
401.16010	0.7
419.12680	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01856	1.7
56.96561	3.1
57.03429	2.3
61.02922	1.9
67.05500	1.4
69.03432	7.1
69.07061	1.2
69.55989	4.9
69.56393	2.1
70.06583	3.1
71.04980	1.5
72.08147	4.3
73.02930	2.0
74.23196	0.9
75.99489	1.0
81.03416	5.3
81.07053	1.8
82.06593	1.4
84.08118	2.5
85.02916	13.0
86.09714	2.2
87.04456	2.1
89.06039	77.8
90.48183	1.0
93.07023	1.1
96.08142	1.2
97.02897	5.8
98.97613	6.7
99.04479	1.7
100.98150	1.1
107.07064	1.3
109.02879	3.5
110.06049	3.1
110.97574	1.0
116.98636	2.2
121.02788	1.3
122.05997	2.2
124.03953	4.6
124.07578	7.2
126.09203	1.3
127.03915	3.3
128.59555	1.1
133.08618	38.0
137.05916	1.3
138.05504	8.8
145.04985	2.6
147.04439	1.1
150.05475	2.3
151.09673	3.9
152.07079	11.4
158.99631	2.1
163.98003	1.1
166.08330	0.9
167.07123	1.5
168.06583	2.4
170.08124	4.8
177.11243	5.8
180.06564	22.0
195.12326	2.5
198.07536	2.4
220.09726	1.2
237.03018	2.0
239.14911	100.0
240.15207	1.0
242.10245	1.7
252.57207	1.4
316.07056	1.0
418.13641	7.8
419.15106	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	418.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	7.7
61.02921	1.9
67.05492	2.1
69.03423	5.5
69.32568	1.9
69.32971	10.4
70.06593	2.4
71.00949	1.3
72.08148	4.3
73.02918	3.0
73.06533	2.0
79.05450	2.0
81.03407	3.1
81.04531	4.0
84.08144	2.9
85.02908	8.2
86.09699	2.3
87.04514	1.6
93.07056	2.2
96.30576	1.5
97.02873	7.9
98.21471	2.6
98.97588	12.2
103.05453	6.6
106.06538	3.5
107.04913	2.3
108.08118	6.1
109.02885	2.1
110.97579	3.6
116.98628	4.0
120.08114	100.0
124.03959	5.1
124.07613	3.3
124.99115	1.8
127.03904	2.9
127.05024	2.9
128.98514	2.9
129.10185	1.5
131.04906	2.9
132.37685	1.4
134.06027	4.0
136.07573	2.0
140.07092	2.1
145.04953	1.9
150.05511	3.2
151.05840	2.0
151.32808	1.4
152.07086	14.5
158.73344	1.3
158.99677	5.0
166.08650	47.3
168.06567	3.8
170.08147	10.6
177.00728	3.2
187.02734	1.7
212.06262	2.3
214.03798	2.6
214.80232	1.4
219.01770	6.1
227.06738	2.6
228.05336	1.9
232.04895	1.8
237.02771	4.7
238.03868	2.0
247.06458	3.5
256.04813	2.5
257.14938	5.6
266.45468	1.5
266.48306	1.7
328.69110	1.9
336.82529	1.4
356.13193	2.0
358.08200	3.3
418.12177	3.0
418.16821	11.7
419.15073	5.7
419.20175	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	418.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.7
51.02377	1.0
53.03946	6.3
55.01867	2.1
55.05520	5.7
57.03431	2.0
61.02928	1.5
65.03932	2.5
67.05510	3.8
67.18715	0.6
69.03429	5.0
69.07065	3.3
70.70513	2.4
71.05010	1.0
73.02914	2.0
75.50034	0.6
77.03918	1.2
79.05496	20.9
81.03427	5.5
81.07060	4.9
85.02914	14.0
87.00833	6.9
91.05484	28.9
92.02497	0.8
93.07050	93.0
94.07357	1.0
95.04965	5.5
95.08598	1.6
97.02914	5.9
99.04469	3.1
102.05537	1.5
105.01884	6.1
105.04518	3.0
105.07034	9.2
106.07353	0.7
107.04943	1.0
107.08602	100.0
108.04481	2.0
108.08959	1.3
109.02883	6.8
109.06517	3.1
109.10159	1.4
110.08011	0.7
117.01856	1.0
117.06996	0.9
119.06059	2.2
119.08596	2.0
126.05543	1.1
127.03928	10.1
131.08571	1.0
133.10127	1.1
135.11703	31.5
137.27313	0.8
145.04991	5.2
145.10197	1.1
147.02769	0.9
159.02892	4.0
159.93138	0.7
167.07059	7.7
168.07361	5.1
172.07501	1.0
173.05930	0.8
174.06313	1.0
181.04970	2.6
182.05283	1.7
191.07106	1.1
192.07443	1.5
203.07086	1.4
231.04997	2.1
234.08252	0.7
261.54016	1.0
303.95322	0.7
388.14880	1.5
400.14215	0.9
403.03183	0.8
418.15463	2.5
418.26266	1.5
418.31543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
53.98251	0.4
55.01868	1.5
55.05513	1.1
56.96569	10.2
57.03445	3.5
59.05002	0.8
61.02940	2.6
63.04136	0.4
65.03936	2.8
67.05511	4.1
68.99809	0.6
69.03438	11.0
69.06029	0.6
69.07062	0.7
70.06588	1.2
70.98103	0.7
71.01351	0.8
71.04992	1.1
71.57296	0.6
71.95277	0.9
72.08170	2.6
72.08495	0.5
73.02931	3.5
73.06561	1.3
79.05502	3.9
80.05037	0.5
81.03427	6.4
81.05779	0.7
81.07053	1.6
82.06625	0.5
83.04994	1.2
84.08174	2.7
84.96041	1.8
85.02912	13.4
86.09705	0.6
87.00838	1.2
87.04459	1.2
91.05474	0.7
92.05008	2.9
93.05786	1.1
94.06536	0.8
95.04984	0.9
96.08140	3.7
97.02901	8.0
98.03222	0.6
98.97591	23.1
99.04460	2.8
99.97835	0.4
101.02354	0.7
102.05515	0.8
102.96872	1.2
103.03951	0.8
106.05833	1.1
106.06564	26.5
108.08125	90.2
108.96069	0.5
109.02886	5.3
109.08403	1.0
110.06071	1.0
110.09709	0.6
110.97570	4.6
111.04431	0.6
112.07617	3.8
112.99126	1.7
115.00711	0.8
115.03928	1.3
116.10751	1.0
116.98631	10.0
119.01826	0.6
120.97898	0.6
121.06520	0.5
123.06821	6.1
124.07603	29.1
126.09222	0.5
127.00764	0.6
127.03922	7.1
128.98602	3.6
129.05496	0.8
129.10251	1.2
130.08665	4.3
130.93318	0.6
131.00218	1.3
133.05052	0.6
134.06026	24.1
134.99677	3.1
136.07593	16.2
137.05960	0.7
137.08321	0.5
138.05510	7.1
143.00182	2.0
145.04945	1.3
146.02283	0.5
146.04150	0.9
146.99655	2.3
147.03273	0.6
147.04373	0.6
148.07571	1.4
149.01228	0.9
150.05487	1.1
152.07079	100.0
152.98547	1.0
153.07570	1.4
154.08633	0.9
154.93344	1.1
155.04672	4.0
155.54802	0.6
158.99680	5.8
159.03047	1.1
161.01227	1.5
163.02785	1.0
164.05214	1.2
164.07082	1.2
166.55551	0.5
168.02025	0.7
168.52271	0.5
169.04602	0.6
170.08134	37.4
170.99669	2.0
171.08441	0.6
172.94414	2.8
174.11263	1.6
176.07115	1.4
177.00714	4.0
177.04338	1.1
182.03377	0.6
182.99652	0.6
183.02753	0.6
184.02853	0.6
186.02028	0.6
187.02808	1.2
187.06012	1.1
189.00729	1.5
189.04301	1.2
190.95413	1.4
191.03882	0.6
192.95380	0.5
194.08154	1.4
196.02881	0.6
201.00696	1.4
202.03716	0.5
203.79076	0.6
205.03793	0.6
210.58133	3.7
211.08279	0.5
213.03687	1.2
214.03725	1.5
214.95439	1.6
216.96980	0.8
219.01764	4.9
219.05321	0.7
226.03746	0.5
227.06747	3.1
227.56839	0.6
231.05417	0.7
232.96480	2.4
234.96106	0.7
236.87759	0.6
237.02878	4.9
242.07286	0.6
246.06508	0.9
246.57222	1.1
247.06683	0.9
247.58121	0.9
248.07872	0.9
250.97592	0.7
256.03369	0.7
260.95807	0.7
261.02936	0.7
272.10168	2.2
272.60367	1.6
274.97726	2.7
275.00183	0.5
278.96835	1.9
291.07458	3.6
291.58060	3.4
291.60632	4.3
292.07382	0.8
292.10583	1.4
292.98483	0.8
293.10733	1.0
295.07159	0.7
296.97781	1.3
300.07886	0.5
309.08658	2.9
314.12296	2.2
332.13525	4.4
338.12381	2.3
343.07822	1.0
351.09299	0.8
356.13443	8.8
368.05771	0.5
374.14484	14.0
400.12430	12.6
418.13440	42.0
419.13818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.6
55.01892	1.4
55.05533	0.8
56.05052	0.7
56.96570	10.5
57.03458	1.9
61.02943	1.8
65.03967	1.8
67.05525	2.9
67.23299	0.6
67.87384	0.5
68.05054	0.6
69.03438	8.1
70.00405	2.2
70.06606	1.6
70.98151	0.9
71.05009	1.0
71.95287	0.7
72.08147	3.1
72.96072	0.6
73.02942	2.5
79.05518	2.4
80.05016	1.4
81.03427	4.6
81.05826	0.7
81.07076	0.9
82.06582	1.3
83.05008	1.1
84.08153	3.7
84.96047	1.7
85.02908	10.6
86.09736	1.0
87.00850	1.1
87.04494	1.9
91.05515	0.5
92.05050	2.0
94.06573	0.8
96.08151	3.5
97.02896	8.3
97.06596	0.6
97.99201	0.9
98.09733	0.7
98.21414	0.7
98.97592	22.0
99.04485	1.5
99.97898	0.9
100.47100	0.6
101.97187	0.6
102.09209	1.1
102.96887	2.1
105.01890	0.7
106.06567	15.9
108.08127	53.6
109.02244	0.7
109.02880	3.6
109.08443	1.1
110.06055	1.3
110.09682	1.2
110.97585	4.3
112.07597	0.9
112.99152	2.5
115.03954	0.7
116.10758	0.7
116.98635	11.3
118.81265	0.5
119.01859	0.8
120.97933	1.9
121.06510	0.9
123.06822	3.5
124.07602	21.7
127.03915	5.1
128.10748	1.4
128.27637	0.5
128.98622	3.6
129.10271	0.9
130.93309	2.4
131.00183	1.8
133.04924	0.7
134.06029	33.8
134.99667	2.4
136.07578	9.0
137.06000	0.8
137.99167	0.7
138.05518	13.2
140.00099	0.7
143.00198	1.8
145.01793	1.0
145.04991	2.0
146.99692	1.6
148.07567	0.7
149.01205	1.3
150.05490	1.3
152.07079	100.0
153.07434	1.1
154.08623	0.7
154.93298	1.8
157.01793	1.2
158.99673	4.0
159.03249	1.2
161.01225	2.0
161.04610	0.6
164.07094	0.8
168.06590	0.7
170.08141	57.7
170.99684	1.1
171.08510	1.3
172.94327	3.2
173.01250	0.7
174.11250	1.9
175.02904	0.8
177.00717	2.6
177.04324	1.0
184.02858	1.3
184.06569	0.7
186.04436	1.0
187.02731	1.3
187.06007	1.2
190.95396	3.0
191.04034	0.9
196.02812	0.7
196.94292	1.1
201.00671	1.2
202.03885	0.9
202.95265	0.6
205.03757	0.8
205.05501	1.3
208.96480	1.1
210.04443	0.9
213.00674	0.6
214.03786	1.3
214.95383	3.3
219.01778	5.4
220.55943	0.6
221.05266	0.7
226.95428	0.7
228.05475	1.2
230.07103	1.3
231.01871	0.9
232.96545	3.9
234.96167	0.8
236.95700	1.0
237.02884	5.1
242.07150	0.8
245.05040	1.3
247.06560	1.2
248.07901	1.7
250.97444	1.5
252.97377	0.5
255.06149	0.8
256.08087	0.9
256.96448	1.5
257.14993	1.3
260.95758	1.2
261.02570	1.2
274.97507	5.1
277.97379	1.2
278.96762	4.8
288.04211	1.1
292.98401	2.4
294.12357	0.8
295.06955	1.2
296.97797	1.8
298.43066	0.6
303.96188	0.7
314.12384	1.1
321.08237	0.6
328.03720	1.8
332.13260	2.2
338.12076	1.2
346.04739	1.7
352.09906	0.7
356.13504	4.8
358.00443	0.6
358.08255	1.0
374.14453	6.0
376.05789	2.6
382.11118	0.7
394.06168	0.7
400.12262	7.6
409.10251	0.7
418.13232	25.2
419.14658	0.8
419.20035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07068	1.3
71.56561	0.9
79.05490	1.0
81.07073	3.2
91.05491	1.8
93.07013	1.0
95.08598	1.7
98.98436	0.7
105.07047	0.7
109.10108	1.1
119.08559	0.9
130.82115	0.6
133.10152	0.8
134.24701	0.5
143.43576	0.6
145.10074	1.2
149.34818	0.6
152.85036	0.6
155.01003	0.7
202.20969	0.6
203.06976	0.8
215.10678	0.7
221.13051	0.6
222.30408	0.6
227.94438	0.6
239.06798	3.6
281.07852	100.0
282.08255	2.4
417.20673	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	418.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23533	1.3
54.02559	1.2
55.01865	1.8
69.03419	1.6
69.42145	4.4
69.42569	6.3
70.06587	2.7
72.08137	1.6
77.22225	1.6
79.16854	1.3
85.02892	1.7
98.20760	3.2
116.07101	2.4
134.28215	1.5
140.04929	3.0
142.06573	1.6
146.69951	1.3
146.98418	1.5
150.08771	1.3
154.06589	2.4
155.06042	24.4
156.08084	1.6
161.60165	1.5
167.06041	6.1
167.07245	2.2
168.06850	3.3
169.07628	37.7
170.06007	3.3
179.06046	15.4
180.06830	1.8
181.05219	1.6
181.07591	3.3
182.06056	1.8
182.08430	2.4
183.05560	18.0
183.09070	1.6
184.07664	2.4
184.09244	1.3
185.07111	11.4
192.06818	2.1
193.07626	15.6
194.06064	2.8
195.05559	38.1
196.06325	13.7
197.07118	29.9
198.05521	6.5
201.06575	2.3
207.05537	6.5
208.06363	1.9
209.07118	3.5
210.07828	2.0
211.05022	5.5
211.08507	7.1
213.06622	21.7
221.07114	24.3
223.04996	2.2
225.06599	50.9
226.07111	1.9
227.08223	1.8
229.06114	21.2
237.06613	6.0
238.05270	1.6
238.07378	6.6
239.04468	3.6
239.08170	28.7
241.06100	3.9
243.07625	6.5
249.06607	8.9
253.05984	12.6
255.07617	3.0
256.06323	2.3
257.05539	5.9
265.06104	2.6
266.07245	1.5
267.07715	18.0
269.05576	3.3
271.07193	28.0
272.06741	1.6
277.06055	14.0
283.07251	1.5
285.08719	39.3
287.09836	1.4
295.07135	38.3
307.02051	1.4
312.09879	3.1
313.08212	57.7
314.08344	1.6
331.09247	18.1
336.09726	1.7
340.09335	6.6
354.10916	6.5
358.10385	49.1
358.14856	2.5
359.10544	2.4
372.11786	6.7
382.10190	10.2
400.11398	58.8
400.16653	2.8
418.12421	100.0
419.12659	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	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03937	1.0
55.01854	0.8
58.83917	0.4
65.03941	2.4
67.05489	1.3
67.26083	0.4
68.99848	0.6
69.03414	1.2
69.07052	0.8
78.04726	2.4
79.05472	2.9
81.03399	1.3
81.07048	1.3
82.04185	0.9
84.23047	0.5
85.02888	1.8
91.05473	1.9
93.03384	1.1
93.07018	0.8
95.04965	1.7
95.08604	1.0
97.06484	1.2
103.05482	4.8
105.03383	0.7
105.07027	1.8
106.04156	1.8
107.04957	4.4
107.08609	1.0
109.02836	0.8
109.06537	0.5
110.03635	1.3
115.05476	3.9
117.07022	4.9
118.04149	0.6
119.08559	0.8
121.10133	0.6
123.04427	7.1
124.05180	2.2
125.05995	1.1
127.05463	0.6
128.06120	0.6
131.04953	3.5
133.06467	0.7
133.10121	0.5
134.03632	1.0
137.05937	0.9
138.03082	0.8
142.02551	1.1
145.06494	7.9
147.04385	0.7
147.08006	0.6
148.05193	2.4
151.03949	1.6
152.04680	2.5
153.05476	1.1
155.06021	3.0
161.05980	0.9
163.07581	3.3
167.07045	100.0
168.07381	1.0
171.06563	1.2
173.05989	13.6
175.07510	1.2
176.04718	0.6
178.57068	0.5
181.04961	35.3
182.05402	0.6
191.07036	10.9
195.06512	0.9
198.48347	0.5
201.05505	0.8
202.18221	0.5
203.07071	0.7
205.08549	3.1
207.10205	0.8
233.06079	0.9
233.08119	7.6
235.07535	0.7
235.09666	5.1
263.09171	0.9
264.07828	0.5
265.87787	0.5
267.06613	1.6
281.07822	0.8
297.07651	1.3
339.15753	0.5
351.08673	0.6
355.12439	0.6
371.15121	0.6
381.09674	0.6
385.12756	0.9
387.14426	13.2
387.19165	1.0
399.10556	0.8
417.15533	28.2
418.15744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1547
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.00324	0.3
53.03940	0.8
55.01853	1.0
55.05487	0.5
56.67159	0.4
57.03414	0.6
65.03918	1.5
67.05486	1.4
67.05852	0.3
67.05978	0.3
69.03429	0.8
69.07058	0.6
71.04970	0.4
71.58022	0.6
73.46880	0.3
78.04713	3.2
79.05470	1.7
81.03400	0.9
81.07038	1.5
82.04188	0.6
83.04948	0.4
84.08134	0.5
85.02913	1.9
91.05489	2.0
93.03397	0.7
93.07047	0.8
95.04948	1.0
95.08583	1.1
97.02879	0.6
97.06541	0.7
103.05443	1.3
105.03385	1.3
105.07011	1.1
106.04144	1.8
107.04947	1.3
107.08591	1.0
109.02872	0.6
109.10089	0.5
110.03654	0.8
111.04427	0.7
111.08117	0.4
115.05473	3.0
117.07034	4.7
119.08566	0.8
121.02848	0.3
121.10138	0.7
123.04439	7.5
124.05221	2.2
125.05963	0.5
127.03957	0.5
127.05437	1.2
133.06427	0.4
133.10150	0.6
134.03653	0.6
137.05998	0.7
138.03088	0.4
143.04889	0.6
145.06506	8.5
145.10023	0.5
147.08028	0.5
151.03899	1.7
152.04684	1.7
153.05527	0.8
155.06055	4.6
160.05191	0.4
161.05975	0.5
165.01793	0.5
167.07054	100.0
168.07370	1.2
169.12169	0.4
171.06529	1.0
173.06009	14.8
175.07578	0.6
178.78131	0.4
181.04971	20.3
191.07021	0.7
195.17329	0.4
201.05539	1.0
205.08658	3.7
209.10031	0.4
210.99797	0.4
221.08173	0.5
233.05824	0.5
233.08102	7.8
235.09694	2.9
237.80887	0.5
239.07115	0.4
240.07918	0.8
255.06621	1.3
267.06543	5.8
268.07275	1.4
271.06094	2.3
279.06570	1.1
281.08206	0.9
283.05978	1.2
285.07333	0.4
293.08038	0.7
297.07605	5.7
298.07974	0.6
307.06454	0.5
307.09735	1.7
309.07755	1.1
313.07214	1.0
321.07642	1.7
327.08795	0.5
337.07184	0.7
351.08771	1.3
363.08704	1.8
367.23236	0.6
381.09811	3.6
387.14413	14.4
399.10699	1.7
417.15643	25.2
417.30276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01885	0.6
55.05509	0.7
56.96561	1.5
57.03430	0.7
67.05488	0.7
69.03431	2.5
70.06585	1.0
71.58113	0.5
72.08143	1.7
73.02920	0.8
81.03419	1.5
83.05001	0.4
84.08134	0.9
85.02935	2.9
86.09691	0.8
89.06006	1.0
91.05505	0.7
95.04955	1.3
97.02895	2.3
98.97606	2.6
99.04479	0.7
105.07033	0.8
107.08606	0.5
109.02879	1.3
112.07618	0.6
116.98665	1.0
121.02857	0.6
121.06495	0.6
122.06054	0.5
126.09198	0.5
127.03898	1.3
127.93818	0.5
128.98650	0.5
133.00592	0.4
133.10149	0.7
137.02391	0.4
137.05977	0.8
145.05037	0.5
151.07556	0.6
151.08653	1.1
158.99644	0.8
160.98148	0.4
167.07108	0.6
168.06476	0.6
177.79999	0.4
217.05370	1.1
219.01917	0.7
230.22244	0.4
237.02869	0.9
239.14870	0.6
243.96861	0.5
417.13660	100.0
418.13254	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03955	1.2
53.15635	0.5
54.03483	0.4
55.01868	0.6
55.94636	0.4
57.03444	0.8
65.03947	1.4
66.04722	0.4
66.22923	0.4
67.05510	1.3
69.03429	2.3
69.07070	0.7
70.06606	0.9
71.58236	0.7
72.08169	0.6
78.04718	3.8
79.05504	2.2
81.03426	1.9
81.07070	1.5
82.04202	0.9
83.04989	1.0
85.02481	0.4
85.02913	2.5
85.03368	0.4
86.09727	1.3
87.00810	0.8
91.05488	1.7
93.03392	0.5
93.07053	0.4
95.04983	1.6
95.08599	0.5
95.32919	0.5
97.02898	1.5
97.06493	0.6
99.04474	0.4
103.05469	1.6
105.01882	0.5
105.07027	1.1
106.04181	1.7
107.04967	1.9
107.08613	0.9
108.20518	0.4
109.02889	1.8
109.06509	0.4
109.10172	0.7
110.03660	1.0
113.14168	0.4
115.05461	3.3
116.06251	0.6
117.07035	5.5
119.04946	0.6
119.08642	0.5
121.10128	0.6
123.04441	7.5
123.09216	2.7
123.11723	0.6
124.05242	2.3
125.06012	0.6
127.03924	1.9
127.05435	0.8
133.10184	0.6
137.05983	0.5
137.07079	0.5
138.03072	0.6
142.02679	0.7
145.02853	0.4
145.05167	0.6
145.06488	9.2
147.04457	0.8
147.08015	0.5
150.61183	0.5
151.03923	1.7
151.08679	26.1
151.11208	1.2
152.04706	1.5
155.06026	4.1
159.02914	0.5
159.08156	0.4
165.01826	1.1
167.07053	100.0
168.07397	1.0
169.09752	5.3
171.06494	0.7
173.05997	15.3
173.83798	0.5
174.06543	0.5
177.05412	1.2
181.03371	1.0
181.04976	21.8
183.02888	0.6
191.03398	1.1
201.05476	0.6
205.08594	2.9
219.02896	1.5
231.02786	0.8
233.08112	9.3
235.09653	3.6
255.06523	6.7
261.03879	0.6
339.08578	1.1
349.73828	0.6
351.08612	0.8
373.18179	0.7
387.14444	13.3
397.23993	0.4
399.14783	0.6
417.15472	28.2
418.15543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.131
Annotation	Chlorohyssopifolin E
Peak:m/z	Relative Intensity
50.81495	1.1
58.91544	1.0
60.44854	1.1
60.59024	1.1
69.60505	7.8
75.52456	1.4
75.52898	1.1
81.07056	2.1
91.05469	4.9
95.08615	1.6
98.20808	2.5
105.07056	2.0
107.08612	1.5
111.84308	1.1
117.07039	1.4
119.08591	4.6
120.08920	1.8
128.66316	1.2
133.10164	2.0
141.05487	4.6
151.03894	1.4
203.07043	3.7
204.07407	1.9
295.09656	1.6
416.62311	1.6
417.13092	100.0
418.13315	4.3
435.14334	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	417.1183
Annotation	Bayin
Peak:m/z	Relative Intensity
55.01852	0.7
57.03395	0.7
68.99764	1.0
70.74295	0.5
71.01814	0.9
79.05459	1.2
81.03391	1.2
81.07011	0.6
85.02851	1.8
85.20815	0.5
91.05421	0.8
93.03362	1.0
95.04915	0.8
97.02849	1.6
103.03899	0.7
103.05441	1.5
105.03401	4.1
107.04916	1.1
109.02850	1.5
109.61362	0.5
115.05410	1.2
117.06980	0.7
119.04883	0.7
119.08511	0.7
121.02803	0.9
123.00708	1.1
123.04385	1.0
127.03887	0.8
129.03329	2.8
133.10104	0.5
135.04408	0.8
141.01796	0.9
145.02766	0.6
145.06497	0.9
147.04414	2.5
149.02377	2.8
163.03928	1.0
165.01839	10.6
167.03354	2.2
167.07048	10.6
171.04312	0.7
173.05942	1.4
177.01863	0.9
181.04938	4.4
183.02879	3.1
187.03801	0.8
189.01746	1.0
191.03310	1.0
191.06976	0.7
195.02864	0.8
213.05463	1.8
215.03418	1.0
223.07483	2.2
233.07997	0.8
239.07074	0.7
240.07750	0.9
246.06944	0.5
251.07037	11.1
254.05710	2.9
255.06581	5.7
263.07013	0.9
265.08615	8.6
267.06525	100.0
268.07272	10.3
271.06006	0.8
277.08685	0.6
278.05759	0.7
279.06519	12.1
279.10092	2.2
281.04642	0.8
281.08081	2.9
289.08560	3.1
291.06488	2.6
292.07269	1.8
293.04514	1.5
293.08047	18.6
295.05966	1.0
297.07593	70.4
298.07852	1.2
301.41119	0.5
305.08102	2.7
307.09616	13.2
309.07861	0.6
317.08139	5.0
321.07578	33.2
322.07883	0.9
333.07565	10.1
335.09186	2.3
345.07620	9.8
351.08655	17.2
363.08643	17.3
381.09695	14.3
387.14398	1.5
399.10706	7.5
417.11707	2.1
417.15881	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1183
Annotation	Molludistin
Peak:m/z	Relative Intensity
53.03951	1.7
53.42463	1.5
55.01886	1.7
65.03922	2.3
67.05512	1.6
68.38548	1.7
68.99802	3.1
69.03128	1.5
69.03436	18.0
70.12385	7.0
78.04701	1.5
79.05489	2.9
81.03406	2.2
81.07042	2.8
83.04971	1.7
84.63889	1.3
85.02904	3.6
91.05481	2.4
95.08602	2.0
97.02879	1.7
97.06518	1.3
103.05496	1.5
105.03414	3.1
105.07007	2.2
107.04968	3.9
107.08619	1.7
111.04435	2.5
115.05447	2.1
117.07037	4.9
118.66757	1.6
119.04951	3.2
120.41194	1.3
121.02879	16.5
121.10100	2.0
123.04411	6.8
124.05219	1.7
125.06052	1.4
131.04910	3.2
135.04434	1.9
141.01842	1.7
145.02859	4.7
145.06485	5.6
147.04372	1.7
149.02321	5.1
152.04697	1.7
163.03937	7.8
165.01830	15.8
167.03346	2.8
167.07053	67.2
169.12233	2.1
173.06009	10.8
177.01793	1.9
181.04980	20.8
183.02937	2.8
191.07013	2.4
195.02901	3.3
203.03229	1.7
205.08604	2.4
217.05031	3.3
227.03394	2.3
229.04889	2.6
233.08069	5.3
235.09741	3.6
239.07104	2.2
243.06506	2.1
255.06625	13.1
256.07233	1.9
267.06546	22.1
268.07321	3.0
268.19086	1.7
270.05264	7.3
271.05984	15.3
279.06528	3.3
280.48370	1.4
281.08060	8.7
283.06015	68.1
284.06696	13.5
285.07346	1.8
292.07092	1.7
293.08139	3.5
294.05173	1.8
295.06012	18.4
297.04324	2.5
297.07623	17.2
307.09662	4.6
309.04059	3.2
309.07571	25.0
311.09097	4.9
313.07080	99.9
319.09695	2.8
321.07538	13.0
323.05505	2.4
335.09158	21.8
337.07062	47.5
339.08560	2.0
345.07565	4.8
351.08618	2.4
352.59766	1.7
363.08612	60.2
364.08997	2.3
381.09729	100.0
382.09961	3.4
387.14493	9.5
399.10529	11.8
417.11414	6.7
417.16351	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1182
Annotation	Chrysin 8-C-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03913	0.8
55.01866	1.0
57.03430	0.6
67.05504	0.8
68.99803	0.7
70.61751	1.1
70.62058	1.0
71.14000	0.6
72.08132	0.5
74.34449	0.6
79.01859	5.4
79.05491	1.1
81.03413	1.8
81.07068	0.8
85.02885	1.4
88.00797	0.6
91.05510	0.9
95.04962	1.6
95.08618	0.8
97.02921	1.1
103.05486	1.3
105.03392	14.4
109.02878	1.3
121.10155	0.7
123.04416	0.9
129.03383	1.8
131.08588	0.8
145.06458	0.9
150.09219	0.9
151.09473	1.1
163.03868	0.8
165.01810	2.9
167.07042	4.0
171.02933	0.9
171.04343	0.8
173.06012	0.9
177.01808	0.8
180.17998	0.7
181.04965	1.7
183.02908	0.8
187.03984	1.0
189.05614	1.0
191.03349	1.7
197.05966	2.6
210.40811	0.8
211.07539	1.4
217.04991	3.2
219.02933	0.8
225.05513	1.2
227.07019	2.5
239.07048	5.5
240.07814	10.0
243.02953	3.4
243.06580	2.3
247.01807	0.7
255.06517	3.9
261.03979	2.4
263.07166	0.7
267.06525	78.4
268.07309	38.4
269.07932	3.3
271.05942	0.9
279.06570	13.1
281.08115	18.2
291.06561	1.2
292.07367	4.3
293.08090	6.5
295.06131	3.0
295.09451	0.6
297.07590	100.0
298.07965	3.0
298.68851	0.7
305.08264	1.0
307.06091	2.6
307.09604	21.1
309.07617	4.8
311.09201	1.6
321.07593	22.9
322.08252	0.8
327.08667	5.8
333.07690	1.4
335.09140	6.3
339.08646	1.8
345.07608	0.9
351.08640	19.3
353.10672	0.8
361.23096	0.8
363.08627	13.6
381.04819	1.6
381.09720	33.0
382.09613	0.8
399.10770	43.0
400.11249	1.0
417.11780	59.4
417.16141	2.6
418.12167	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1183
Annotation	chrysin 8-C-glucoside
Peak:m/z	Relative Intensity
54.47197	0.9
54.98868	1.1
60.16263	1.1
61.69819	0.8
70.06599	5.6
70.99993	2.6
83.50421	0.9
86.09690	2.2
91.05515	1.3
119.04984	3.1
121.02867	5.6
133.02885	1.2
145.02834	5.6
147.04439	2.2
149.02336	3.7
163.03960	1.9
175.03993	1.2
179.03444	2.2
189.05441	1.6
189.31973	1.0
223.07391	1.2
226.06328	1.5
229.15562	1.3
239.07030	20.6
239.09273	1.6
240.07813	17.7
252.07896	1.1
255.06473	1.8
263.07114	1.1
267.06540	66.6
268.07312	55.6
269.08029	4.3
279.06561	16.5
281.08109	27.2
292.07397	2.9
293.08179	3.4
295.06268	4.6
295.09476	1.3
297.07605	100.0
298.07999	2.7
305.07928	1.3
307.06232	2.1
307.09631	21.3
309.07669	4.1
311.09232	2.4
321.07620	17.1
327.08652	8.9
333.07849	1.1
335.09116	9.3
339.08673	1.8
350.42462	0.9
351.08688	14.5
354.96335	1.0
363.08582	12.9
381.09726	30.5
394.98541	1.4
399.06409	0.7
399.10757	40.6
417.11844	88.9
418.12119	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1183
Annotation	Daidzin
Peak:m/z	Relative Intensity
55.01872	0.2
55.05525	0.2
65.03953	0.3
67.05492	0.2
68.99774	0.8
69.03435	0.3
69.28265	0.5
69.28671	0.8
70.06585	0.4
72.08160	0.4
81.03442	0.3
81.07059	0.2
85.02921	0.3
86.09705	1.3
91.05462	0.4
95.01340	0.2
97.02867	0.2
98.20766	0.3
109.02870	0.3
111.04465	0.2
119.04954	1.7
121.02886	0.4
121.10165	0.3
127.03893	0.2
131.08562	0.3
137.02348	4.0
141.08978	0.1
145.02855	2.5
151.08694	0.3
155.03362	0.6
167.07066	0.3
169.06528	0.2
169.09782	0.3
171.08144	0.2
214.29945	0.2
227.07016	0.5
255.06538	100.0
256.06927	2.1
258.13132	0.2
262.51898	0.2
417.11337	0.2
417.16766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
56.96582	0.7
65.03944	0.2
66.20624	0.2
67.05515	1.3
69.03449	0.4
69.95459	1.1
70.06575	0.2
79.05496	0.4
84.96075	0.3
85.02917	0.8
90.00227	0.2
94.06568	6.0
95.39838	0.2
97.02907	0.6
98.97598	1.8
106.06565	2.1
110.97581	0.3
122.06034	4.9
127.03872	0.4
128.98553	0.3
138.05464	0.2
141.61710	0.2
150.05507	100.0
151.05858	1.0
153.57889	0.2
158.99701	0.4
168.06563	34.9
169.06953	0.3
212.06279	0.4
212.56020	0.2
219.01753	0.6
237.02693	0.5
423.83621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1389
Annotation	Schisantherin Q
Peak:m/z	Relative Intensity
50.06936	0.6
57.03414	0.6
70.75748	0.7
70.76087	1.6
71.01355	0.9
73.33613	0.6
79.05486	0.7
81.07059	0.8
95.01331	1.6
97.62246	0.6
98.37651	0.7
98.92239	0.6
102.79005	0.6
107.04948	0.8
109.06524	0.7
117.07026	0.8
123.00803	3.5
135.04378	1.6
145.06494	3.1
161.05975	0.9
173.06004	1.9
185.06026	0.8
187.03899	1.4
197.09549	0.7
199.03937	1.4
201.05507	1.7
203.07092	3.9
213.05374	1.1
215.03410	3.4
223.07512	0.9
225.09119	0.9
227.03406	2.1
227.07083	1.1
239.10966	0.8
241.04919	0.9
243.10231	2.0
249.09090	0.8
251.07161	1.0
253.08501	0.9
269.08209	2.6
277.08609	1.2
279.06677	1.4
279.10165	1.6
281.08051	2.6
281.11386	0.9
287.09225	0.9
291.10132	0.8
292.10934	0.9
293.11685	1.0
295.09702	1.9
305.07938	4.2
308.06775	1.6
309.11246	1.5
321.11194	3.6
323.09155	24.9
324.09787	0.9
325.10904	0.9
327.12418	0.9
337.10696	3.5
341.10172	2.1
355.11746	7.0
369.13120	0.7
379.11905	1.3
397.12842	22.7
415.13892	100.0
416.14264	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	415.1883
Annotation	SU11652
Peak:m/z	Relative Intensity
69.07059	1.0
69.71442	4.8
72.57722	0.7
79.05496	1.2
81.07057	2.3
82.17458	0.7
83.08609	0.8
91.05468	1.9
93.07059	1.4
105.07071	1.2
107.08582	0.8
109.10156	0.8
117.07019	1.0
119.08599	7.9
121.10133	0.9
133.10129	1.3
135.11674	1.0
136.32335	0.8
163.03889	0.8
203.07008	4.2
230.73065	0.8
279.06302	80.9
280.06711	1.2
283.06149	1.0
320.08987	2.4
383.11716	1.2
415.18857	100.0
416.19257	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
69.07052	1.4
69.45699	3.1
69.46111	1.9
79.05478	1.0
81.07022	2.8
87.25753	0.7
91.05468	4.4
93.07005	1.9
95.08582	2.2
103.05495	0.6
105.07019	3.7
107.04934	1.1
107.08589	1.2
109.06528	0.8
109.10133	1.4
119.08598	9.1
121.10099	1.9
129.06993	1.2
131.08543	1.0
133.10126	1.6
135.04425	0.7
135.08104	0.6
145.10017	1.1
147.11668	1.1
157.06514	1.1
157.10071	0.8
159.11668	1.2
163.03906	1.5
165.01826	0.9
167.03448	0.7
183.08109	0.7
187.03934	1.3
189.16327	1.2
201.05328	0.8
203.07021	6.3
227.06975	1.0
255.06575	1.4
267.10226	1.7
273.07657	2.0
279.06302	89.7
280.06647	2.0
283.06516	0.8
283.09702	0.9
320.09097	1.8
323.09070	0.9
337.10709	0.8
359.16528	0.8
383.11258	1.5
415.18872	100.0
416.19254	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59104	1.0
53.03952	11.1
55.01865	3.8
55.05516	6.2
57.03428	4.4
57.07062	1.4
61.04017	1.0
65.03945	1.1
67.05507	11.1
68.99816	1.3
69.03436	26.5
69.07075	7.1
69.36230	3.6
69.36662	4.8
70.06588	2.9
70.10193	1.0
71.04993	11.8
72.08157	3.6
73.02917	1.4
79.05505	5.2
81.03422	54.6
81.07069	10.0
82.03752	1.1
83.04977	4.2
83.08609	2.9
85.02910	19.1
85.06552	1.2
86.09694	6.7
87.00827	1.5
87.04476	1.3
91.05461	5.9
93.07056	6.4
95.04955	2.3
95.08614	16.9
97.02902	7.5
97.06528	2.4
97.10189	2.4
99.04456	18.6
99.08089	3.5
103.03963	1.3
105.07027	6.0
107.04955	2.6
107.08593	9.3
109.02885	47.7
109.06500	4.1
109.10159	20.5
111.08082	2.3
119.04956	3.5
119.08587	9.3
120.97877	1.1
121.02895	5.1
121.06511	1.1
121.10147	4.8
123.08066	3.9
123.11697	9.3
125.09615	2.6
127.03921	100.0
127.11200	2.3
128.04240	2.5
129.07002	1.6
133.10162	5.2
135.04387	1.4
135.11691	8.8
137.05969	3.4
137.09628	5.0
143.08589	1.4
144.86481	1.0
145.02847	1.7
145.04948	4.1
145.10172	1.7
147.11684	2.6
148.02156	8.8
149.02493	8.0
149.09589	3.3
149.13199	2.9
151.11188	1.3
151.14783	3.1
153.01782	1.5
153.05469	1.4
155.10736	1.4
161.05913	1.4
163.03955	5.3
165.01846	12.6
166.03239	13.6
167.03546	12.1
167.07076	2.3
175.07555	1.1
175.14818	7.6
177.05505	2.5
183.02861	2.9
185.16455	1.3
187.04111	2.7
187.06029	31.2
187.07529	1.7
191.03310	1.3
193.15895	7.9
205.04976	1.2
211.16925	10.0
213.16017	1.0
235.13229	2.0
235.16919	1.3
267.06580	2.0
267.31903	1.1
271.06000	4.6
279.06534	1.8
281.08157	8.8
283.06018	75.3
284.06561	2.3
295.06033	7.5
295.09433	2.3
297.07642	3.5
305.08145	2.7
307.06189	1.2
308.07095	1.9
309.04059	2.3
309.07562	23.6
313.06976	3.4
321.07571	3.2
323.09106	10.1
333.07602	2.8
337.07059	31.4
349.07108	10.9
351.08429	2.6
361.07047	10.4
367.08173	12.9
371.16614	4.4
379.08072	15.0
397.09189	14.0
397.16977	1.6
415.09433	6.9
415.15173	13.5
415.22656	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	415.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28806	2.5
53.03936	2.4
55.05505	4.7
56.82356	2.2
57.03403	2.5
62.13417	2.4
66.88261	2.1
67.05490	8.6
69.03436	11.9
69.07046	3.0
71.05003	4.6
71.58250	2.4
79.05495	7.2
79.89303	2.1
81.03434	13.1
81.07047	7.0
83.04971	5.8
85.02911	11.0
85.06535	3.7
87.57808	2.2
91.05479	6.0
93.07046	11.9
95.04960	5.8
95.08607	12.4
97.02880	8.1
97.06532	2.9
99.04469	5.0
99.08109	30.8
104.39560	2.4
105.07021	5.6
107.04957	4.1
107.08584	8.5
109.02905	12.8
109.06508	6.1
109.10156	8.3
110.10594	2.1
119.04927	2.1
119.08578	6.5
121.02859	3.8
121.10133	3.0
123.11742	4.5
127.03912	10.8
129.06961	2.4
131.06519	2.4
131.08566	2.7
133.02837	2.5
133.10158	6.0
135.11674	8.3
137.05975	4.1
137.09627	5.3
143.08600	2.5
145.04913	3.8
147.04379	3.7
155.10605	8.7
159.08104	2.2
160.05185	3.2
161.02316	2.5
163.03882	3.4
165.01878	6.9
165.05614	3.0
167.03375	3.0
167.07085	7.2
175.03876	4.9
175.14822	2.9
177.05467	5.8
179.03407	7.3
181.04973	2.9
184.05122	3.4
187.03835	12.2
187.06015	5.6
191.03371	3.5
193.04919	3.6
193.12418	2.3
193.15866	7.0
197.04439	3.1
199.07643	3.5
200.46803	2.5
201.05479	3.0
201.09038	2.6
203.03458	2.5
203.07063	8.9
205.04961	3.0
211.16942	28.6
227.07036	53.6
229.04996	3.5
229.08551	4.5
230.05806	3.8
239.07089	3.7
245.08115	92.9
267.06448	3.4
271.05994	2.8
275.09204	32.2
279.06372	2.6
279.09976	2.3
281.08142	6.0
283.06070	44.5
293.08032	2.4
295.06036	5.1
297.07556	3.5
307.09558	7.6
309.07684	11.9
311.12875	6.4
313.06976	2.7
321.07529	3.1
323.09155	8.3
325.07236	3.1
333.07800	3.5
335.09094	3.6
337.07169	18.6
339.12253	6.8
347.09128	2.5
351.12338	5.7
352.09393	5.0
361.06912	4.1
367.11838	100.0
369.13312	6.2
379.07932	6.3
379.11923	10.4
397.09027	8.0
397.12814	8.1
415.09848	15.3
415.14923	3.6
415.23102	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96314	0.9
56.96572	8.4
62.68018	0.5
70.05771	2.8
71.95259	2.4
79.78043	0.6
95.91298	0.5
98.20869	0.8
98.97589	98.7
115.81310	0.6
116.98627	35.6
130.93307	0.8
134.19135	0.7
134.99672	6.5
137.22388	0.7
172.94368	6.4
190.95433	3.4
197.95123	0.5
208.96481	0.6
214.95372	4.3
232.96477	6.1
250.97540	1.8
256.96469	24.4
274.97525	100.0
275.98013	1.2
292.98578	41.8
297.98969	1.4
316.00403	0.8
337.56961	0.6
372.93726	0.7
414.95447	3.6
432.96533	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	415.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
56.96569	42.9
57.03432	2.5
61.02919	1.7
69.03429	8.3
69.07066	1.3
70.03003	4.3
70.06584	1.0
71.95264	1.7
73.02927	1.9
81.03414	1.5
83.98852	1.0
84.08128	0.9
84.96041	13.2
85.02909	9.9
85.06541	1.0
86.09703	1.5
87.04473	3.1
97.02896	6.8
98.97591	100.0
102.97007	1.1
105.10478	0.9
109.02886	1.2
110.97583	24.9
112.99142	6.2
115.03973	1.5
116.98631	28.4
124.99135	4.1
125.03584	1.0
126.97044	1.1
127.03909	3.1
128.98625	18.6
130.56223	0.9
131.00183	3.3
133.01744	1.2
134.04192	0.9
134.97548	3.3
134.99641	5.7
136.06171	2.3
137.05901	2.1
140.98604	3.3
143.00174	16.5
144.98114	2.4
146.99681	6.1
147.04425	2.0
149.01262	2.1
150.05498	6.0
152.98592	10.2
155.04713	1.4
156.03342	2.5
158.99652	12.4
161.01222	14.1
161.04704	2.5
162.97032	1.9
162.99184	1.5
165.00624	1.1
167.00246	4.8
167.07137	1.5
168.03378	2.4
168.06587	1.8
170.05234	2.7
170.99677	8.5
173.01187	1.7
174.04384	2.1
177.00722	9.5
177.04311	2.9
179.02304	2.7
179.86710	1.0
180.51027	0.9
180.98105	2.2
182.99629	1.3
185.01237	5.0
185.41959	0.9
186.04362	5.4
189.00751	4.1
189.04398	0.9
192.98206	3.5
194.99669	2.5
195.05551	1.1
198.99252	1.9
201.00691	7.8
203.02307	3.8
204.05467	2.7
207.01732	1.4
209.01192	1.4
210.99188	14.9
212.06212	3.6
213.00754	4.5
219.01781	38.6
225.00688	1.1
227.02269	3.5
227.06796	21.4
227.56975	3.0
229.00215	41.8
235.02899	3.5
236.05077	1.0
237.02835	37.2
242.03366	1.3
247.01201	7.3
253.00206	3.9
253.03790	2.5
255.03961	2.2
256.96478	1.3
259.08469	1.7
268.08865	1.2
271.01395	7.1
271.04269	1.5
274.97498	7.0
275.02130	1.1
277.00314	1.3
277.04016	2.7
279.01724	2.0
280.07016	2.3
284.12527	1.3
286.06033	1.4
286.09464	1.2
292.98724	1.4
293.03241	1.7
295.01239	4.4
295.04825	2.7
297.02829	2.8
307.01230	2.3
313.02231	1.8
321.08575	1.0
325.02209	1.0
337.02359	6.2
340.10944	4.0
355.03378	36.9
355.07706	2.1
370.95297	0.9
373.04446	69.6
374.04828	1.0
391.05469	2.1
396.05869	1.5
415.05020	7.9
415.10056	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	414.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21676	0.8
50.35678	0.8
53.03944	1.2
55.01865	3.0
57.03431	4.7
59.05003	44.0
61.02924	1.7
69.03426	8.5
70.06574	1.6
71.04982	1.5
71.57593	1.4
73.02912	4.7
73.06557	100.0
81.03417	8.1
84.08099	1.2
85.02414	2.1
85.02906	26.5
86.09695	1.8
87.00831	9.6
91.05489	10.0
91.13496	1.0
93.31789	0.9
95.37286	0.9
97.02904	9.4
98.97575	2.8
99.04457	4.4
105.01875	8.7
106.02928	1.4
107.08587	1.5
109.02879	7.3
109.06487	1.3
110.97604	1.3
117.09126	11.1
124.03986	2.1
127.03928	10.5
129.01863	1.1
131.10680	12.4
145.04980	5.2
147.11749	1.2
149.11736	79.6
158.99629	1.5
159.02844	2.3
207.03313	1.4
223.06511	1.3
231.04999	1.6
237.02841	1.4
327.07474	1.3
414.16895	7.4
414.21521	2.0
427.13043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.215
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
67.05505	0.7
69.03421	1.0
69.47829	4.1
76.34907	0.6
79.05492	1.7
79.36537	0.5
81.03414	1.4
81.07039	2.1
83.04946	1.3
85.02890	1.1
91.05465	0.6
93.07022	1.0
95.04998	0.8
97.06543	1.3
98.21561	1.1
99.04449	0.6
105.07029	2.2
107.08581	0.9
109.02882	1.1
109.06535	3.2
117.06977	0.8
125.05972	1.1
127.03999	0.5
131.08598	0.7
133.10120	0.7
145.10141	1.4
155.37268	0.5
157.52853	0.6
159.11765	0.9
163.11252	0.7
163.41985	0.6
173.09544	0.7
182.09822	0.5
187.11243	1.4
191.10703	0.7
205.12318	1.1
233.11899	0.8
251.12851	0.9
283.02786	0.5
405.05002	0.6
413.21478	100.0
414.21536	2.7
417.31552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1599
Annotation	(R)-Saclenone
Peak:m/z	Relative Intensity
53.03937	0.8
55.01842	0.7
55.25782	0.3
65.03944	0.6
67.05507	0.5
68.99783	0.6
69.07073	2.1
70.92285	0.9
79.01853	0.3
79.05470	1.2
81.07037	1.1
85.02879	0.4
91.05489	3.3
92.05791	0.4
93.07035	1.0
94.04173	0.4
95.04941	1.0
104.01865	0.3
105.03418	0.4
105.07018	1.0
107.04931	1.6
107.08624	0.4
108.05738	1.4
109.02876	0.6
109.06505	1.3
119.04939	0.3
119.08575	0.7
121.02869	0.9
121.06514	2.9
122.03664	0.4
123.00762	0.4
123.04436	0.4
123.08056	0.7
124.05193	1.9
125.05950	0.6
133.02840	1.0
133.06459	1.2
135.04407	2.2
136.05205	5.4
136.07729	0.3
137.02444	0.5
139.03915	0.9
139.07556	4.0
140.90836	0.3
147.04436	3.8
147.08025	0.4
148.05215	5.1
149.02347	0.9
149.05939	1.2
151.03989	3.1
151.07550	35.5
152.07869	0.5
153.01814	0.4
153.05498	0.5
155.07011	1.3
161.02382	0.6
161.06012	1.6
162.06734	0.6
163.03912	1.8
163.92421	0.4
164.04710	1.0
165.01874	3.9
165.05528	0.4
165.09099	0.7
167.03329	0.6
167.07056	2.5
175.03909	7.1
176.01187	0.5
176.04590	0.8
177.01929	0.5
177.05469	2.0
179.07042	100.0
180.07355	1.8
181.05014	0.6
183.02879	1.1
189.05551	0.4
189.09099	0.6
191.03346	1.6
191.07031	4.4
192.07840	4.4
193.08569	1.1
203.03412	3.3
203.05032	0.4
203.05367	0.3
203.07053	3.1
205.01358	1.0
207.10138	0.6
211.07477	0.4
213.08992	0.4
219.02855	2.1
219.06517	1.3
221.08121	1.2
227.07178	0.4
229.08635	1.3
231.10185	7.9
233.08182	0.4
241.08601	0.7
255.06776	0.4
259.09711	3.3
267.06580	0.5
297.07553	0.4
311.09103	2.1
325.07114	1.0
329.10144	0.8
337.07199	0.5
339.08514	1.7
345.09903	0.9
348.60223	0.4
357.09702	11.5
377.13882	0.5
381.13452	2.1
395.14941	4.5
413.16010	19.0
414.16284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1599
Annotation	Dihydroamorphigenin
Peak:m/z	Relative Intensity
53.03936	1.8
55.01870	4.5
55.05524	2.3
55.67998	1.4
55.97774	1.2
63.08990	1.3
63.09838	1.5
64.36457	1.6
65.03950	1.6
67.05498	4.3
69.03438	4.8
69.07090	3.8
69.64445	5.5
69.64855	3.4
71.04977	1.5
79.05505	9.2
81.03416	2.4
81.07034	9.7
83.04978	2.5
85.02935	2.4
89.24301	1.4
91.05489	21.6
93.07051	7.6
95.01345	2.9
95.04968	6.2
95.08614	5.0
95.73742	1.7
97.02859	2.3
98.21474	2.8
99.04462	2.6
101.06013	1.8
103.05469	3.7
105.07048	9.4
107.04965	8.6
107.08613	4.2
109.06524	6.1
109.10172	3.6
110.03659	6.8
111.04444	5.0
115.05458	1.9
117.07044	4.2
118.04158	3.9
119.04960	9.7
119.08590	5.2
121.06525	18.9
121.10152	2.5
123.04445	3.5
123.08089	8.2
125.06000	17.5
126.03205	1.4
128.06265	4.9
129.07040	5.0
131.04939	2.1
131.08588	2.8
133.02858	1.9
133.06526	9.5
133.10141	1.9
135.04440	5.5
135.08069	5.1
135.11742	2.4
136.05180	3.2
137.06000	3.8
139.03928	4.2
141.05487	5.2
141.06975	2.0
143.08582	3.8
145.06551	4.4
145.10173	2.7
147.04417	10.1
147.08080	4.7
149.02385	5.2
149.05989	34.6
149.07108	2.9
150.06744	1.7
151.03960	2.6
151.07555	33.3
153.05475	33.1
155.03453	2.9
155.08533	2.4
157.06555	2.5
157.10112	3.7
159.04445	2.7
159.11705	2.5
160.05240	2.3
161.02362	11.6
161.05995	26.9
161.09642	1.7
162.06773	5.8
163.03957	4.9
163.07565	3.5
165.05580	1.8
165.09122	10.7
167.03447	5.0
167.07112	3.6
169.04990	12.3
169.06419	3.0
171.08107	3.5
171.11743	1.8
173.06027	6.2
173.09627	3.4
175.03966	5.1
175.07585	5.1
177.05482	13.1
177.09196	2.2
178.06277	6.4
179.07040	34.8
179.08534	2.9
181.08687	9.9
185.05983	7.1
185.09688	6.8
187.03923	16.4
187.07578	2.0
187.11269	2.8
189.05467	11.1
189.09093	2.2
191.03342	2.5
191.07040	2.8
193.08617	64.8
194.09344	2.9
195.08098	3.8
197.06049	1.9
198.06795	1.8
199.07590	4.3
201.05452	7.2
201.09161	4.6
203.07051	100.0
204.07410	2.2
205.04985	6.2
211.07524	4.9
211.09586	3.3
212.04713	1.8
213.05586	1.7
213.09158	9.8
215.07016	2.1
215.10770	3.9
217.08594	3.3
219.06570	4.6
221.08052	2.8
225.09093	2.5
226.06346	2.4
227.07042	16.4
227.10536	2.0
228.07774	2.0
229.08580	9.4
231.10223	2.3
241.08511	8.9
243.10184	34.9
245.08170	4.0
249.09093	2.2
259.07364	2.5
259.09598	9.7
263.07309	1.7
274.09857	1.8
275.10773	2.0
279.06570	2.0
280.11044	2.9
281.08221	2.1
283.89636	1.7
287.07004	3.6
293.11557	2.1
297.07843	2.6
297.11240	4.0
301.08786	2.2
302.09439	2.6
303.09976	1.7
305.08258	4.0
307.09906	2.0
309.14902	1.9
315.06561	5.3
317.08304	2.9
317.11768	4.5
319.09714	5.8
320.10370	2.6
321.11258	5.3
321.14819	2.4
332.10519	1.9
333.07559	3.7
335.12817	6.9
337.10791	3.3
337.14395	7.0
345.11292	5.2
348.09781	3.9
349.10770	2.3
351.12280	21.1
353.13965	9.9
363.12265	18.9
367.15466	3.4
377.13983	3.6
381.13373	75.7
382.14063	2.5
395.10196	2.7
395.14975	36.9
396.15671	2.3
413.16046	64.7
422.58453	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	413.1597
Annotation	dalpanol
Peak:m/z	Relative Intensity
50.45146	0.6
52.34603	0.7
55.01878	0.7
59.12256	0.7
60.48158	0.7
65.03924	0.9
67.05499	1.6
69.03421	1.2
69.07063	1.6
71.04982	0.6
71.29179	1.5
74.10052	0.6
79.05502	6.7
81.07055	1.6
83.04990	0.9
89.71171	0.6
91.05473	4.0
92.10748	0.7
93.07032	2.1
95.01330	1.9
95.05000	3.1
95.08611	1.5
97.06541	5.2
103.05476	2.3
105.03395	1.0
105.07048	4.5
107.04964	8.0
107.08605	1.1
109.06537	0.9
110.03680	2.4
115.05435	3.1
117.07019	2.7
119.04971	1.4
119.08604	1.5
121.06484	3.2
123.00774	1.4
123.04438	6.2
123.08056	0.7
124.05221	1.2
125.06001	6.4
126.37904	0.7
128.06241	2.1
129.07036	4.6
129.74260	0.7
131.04912	1.6
133.02856	1.5
133.06522	2.4
135.04434	1.6
135.08058	5.7
137.05998	2.2
139.03935	2.6
139.07613	1.0
141.07011	2.3
142.07790	2.8
143.08575	1.5
144.05801	0.8
145.06529	3.3
145.10185	1.0
146.07263	1.6
147.04387	3.7
147.08064	1.3
148.05191	1.9
149.02365	3.4
149.05997	2.0
150.06728	3.1
151.03862	1.4
151.07553	2.6
152.04771	0.7
153.05476	11.1
153.06830	1.0
153.09123	0.6
154.06247	3.0
155.07047	2.5
155.08517	1.4
157.06499	1.9
157.10146	3.5
159.04373	1.5
160.05219	0.7
161.06009	6.0
162.06775	5.0
163.03969	2.0
163.07556	6.1
165.05484	2.9
165.06908	1.3
165.09122	7.8
166.06314	1.1
167.03409	1.4
167.07043	2.7
167.08582	1.7
170.07324	1.8
171.08099	2.5
173.05983	3.3
175.03937	3.2
175.07565	2.2
176.04753	0.7
177.05502	1.7
177.09157	2.0
178.06226	1.2
179.07008	2.9
179.08511	0.8
181.05009	1.5
181.06396	0.7
181.06976	1.1
181.08614	12.1
183.06575	2.7
183.07953	1.2
185.06013	1.3
185.09622	8.4
187.03902	1.5
187.07487	0.7
189.05469	6.6
189.09174	2.2
190.06302	0.8
191.07051	2.0
193.04993	2.0
193.08592	11.4
195.08067	1.8
197.06059	1.6
198.06795	2.7
199.07594	1.7
201.05504	6.4
201.09152	2.1
203.07054	5.8
203.10739	1.4
205.08386	0.7
211.07547	2.8
213.09117	10.6
215.07101	0.7
217.08566	2.3
217.82790	0.7
219.06497	10.6
219.08237	1.0
221.04483	1.1
221.08070	5.9
223.07561	1.5
225.09207	1.0
227.07082	2.6
229.08562	4.6
231.10194	4.9
239.07121	1.2
241.08595	10.8
245.08089	13.4
245.10371	1.0
253.08594	1.4
255.06473	0.9
259.09650	16.7
275.10745	0.7
281.08215	1.6
293.08197	1.0
295.06219	1.1
295.09637	0.8
297.07617	2.8
297.10770	1.4
302.09488	0.8
307.09750	0.9
309.07797	1.4
319.09683	1.1
321.07675	0.9
321.11203	0.8
323.12909	1.4
325.10605	3.3
333.11169	1.2
335.12799	1.6
337.10797	2.5
349.10715	1.7
351.12311	2.7
353.10052	0.8
353.13907	0.7
361.10724	1.1
367.11395	1.1
367.15482	5.8
377.13998	3.9
395.10208	1.4
395.14966	20.0
413.16006	100.0
414.16370	4.3
421.19260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1597
Annotation	Dihydroamorphigenin
Peak:m/z	Relative Intensity
56.84307	0.6
59.04989	1.6
60.61293	0.5
61.82653	0.5
62.02435	0.5
65.03932	1.3
65.62565	0.5
70.18206	2.3
77.03944	0.7
79.05495	3.1
81.03400	1.0
81.07057	1.1
91.05485	3.0
93.07024	1.1
94.04183	1.7
95.04967	1.5
103.05484	1.7
105.03394	1.3
105.07029	2.4
106.04221	0.7
107.04961	2.5
108.05714	2.7
109.02858	1.1
109.06529	2.1
111.72712	0.6
115.05441	1.0
117.07005	1.0
118.04127	1.2
119.08570	0.9
121.06526	5.2
122.03610	0.6
123.04415	1.6
124.05219	5.0
125.06015	1.2
128.06232	0.6
131.04939	2.0
133.02841	1.3
133.06499	4.9
134.07314	0.7
135.04419	10.3
136.05212	3.5
137.02335	1.4
137.05994	1.8
139.07547	16.4
145.06496	1.7
147.04413	5.0
147.08060	2.2
148.05193	3.8
149.02350	14.4
149.03490	1.1
149.06006	3.4
150.06773	1.0
151.07545	22.3
153.05460	0.7
155.07047	1.6
159.04428	23.4
160.05215	0.9
161.02295	2.8
161.05988	7.9
161.09630	0.9
162.06761	4.8
163.03935	6.8
164.04686	1.5
165.05489	1.8
165.09135	3.0
167.03423	6.7
167.07050	12.5
169.06503	1.0
170.07277	0.7
171.04410	7.2
171.08060	1.2
173.05980	3.3
175.03970	1.3
175.07584	1.9
176.04732	1.8
177.05486	14.5
178.06256	9.4
179.07043	48.3
180.07368	1.4
181.05008	1.7
185.06058	1.0
185.09576	0.8
187.03908	2.8
189.05452	1.2
189.09114	5.4
191.07045	28.1
192.07822	55.9
193.08597	5.9
195.06503	1.2
195.08066	6.5
198.06792	3.4
199.03871	0.8
203.07045	14.3
207.10204	3.2
213.09111	19.3
219.06596	1.6
220.07338	1.7
221.08110	8.1
229.08653	1.4
231.10172	25.5
232.10542	1.0
241.08604	5.1
259.09653	4.5
281.08197	0.8
289.88824	0.6
311.09341	0.7
313.10889	1.2
323.09317	1.4
325.10764	1.2
338.07819	3.4
341.10275	1.9
353.10193	11.7
367.15387	4.6
385.16357	1.7
395.14926	22.5
396.15457	1.2
413.15982	100.0
414.16306	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	413.1598
Annotation	(R)-Saclenone
Peak:m/z	Relative Intensity
54.43044	0.6
59.05003	1.4
65.03936	0.9
67.05489	0.8
69.03445	0.8
69.24271	0.6
69.26186	6.6
74.78007	0.7
77.03906	1.0
79.05501	3.4
81.07064	1.3
81.22012	0.7
83.05003	0.9
85.06593	0.7
91.05500	1.9
95.04951	1.2
99.67553	0.7
103.05443	1.4
105.04504	0.9
105.07025	2.5
107.04968	2.0
108.05708	2.0
109.06538	1.7
115.05431	1.0
117.07076	0.8
119.04952	0.6
121.02879	0.8
121.06506	2.6
122.03607	1.2
123.04439	1.2
124.05251	3.5
125.05985	1.1
125.56504	0.7
129.06943	0.7
131.04924	1.1
133.02890	1.3
133.06473	3.4
134.42244	0.6
135.04453	7.8
136.05203	2.8
137.02359	1.1
137.06000	1.0
139.07549	11.4
145.06476	1.6
145.10075	1.0
147.04420	2.1
147.08083	1.4
148.05148	2.4
149.02354	11.1
149.05980	2.3
150.06808	1.2
151.07558	13.4
153.05464	1.2
154.48088	0.8
155.07034	0.8
159.04424	18.3
161.02353	1.1
161.05986	4.7
162.06790	3.5
163.03955	4.6
163.07620	0.8
164.04759	1.1
165.06776	0.7
165.09129	3.0
167.03424	5.1
167.07056	10.3
167.08452	1.2
171.04384	1.0
173.06033	2.0
173.09610	1.1
175.03951	1.0
176.04718	1.5
177.05527	8.2
178.06219	2.1
179.07042	21.9
181.04945	1.7
181.32150	0.7
187.03949	2.1
189.09135	3.8
191.07037	21.3
192.07822	34.0
193.08569	3.5
195.08109	4.4
198.06802	1.8
203.07051	6.7
207.10182	5.1
213.09128	10.7
213.10995	1.1
215.10623	0.8
215.30702	0.6
219.06537	1.1
220.07310	0.7
221.08090	7.8
229.08600	1.3
231.10190	30.0
232.10271	0.7
234.09590	0.7
241.08615	2.2
259.09653	5.4
260.70825	0.7
308.19101	0.7
313.10757	2.4
323.09177	0.8
341.10223	1.8
367.15286	1.9
385.16599	5.4
395.14911	2.0
413.15979	100.0
414.16415	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	413.16
Annotation	Dihydroamorphigenin
Peak:m/z	Relative Intensity
52.28775	0.7
53.03941	1.0
55.01881	0.9
55.05502	1.0
59.05007	1.6
65.03950	1.7
66.04736	0.6
67.05514	2.9
68.99793	1.0
69.03437	2.0
69.07064	1.4
70.89912	0.9
70.90222	0.8
71.05005	1.5
77.03952	0.9
79.05495	5.5
81.03428	2.0
81.07066	3.2
83.04996	1.6
85.02930	1.4
85.06561	1.4
87.63263	0.7
91.05486	4.4
92.44679	0.6
93.07056	2.5
93.19576	0.5
94.04189	1.8
95.04986	3.1
95.08622	2.4
96.55916	0.6
96.87168	0.6
97.02912	1.0
97.06503	1.9
98.97591	1.0
99.04445	1.1
103.05485	2.2
105.03407	1.0
105.07041	5.4
106.04156	0.7
107.04952	3.6
107.08613	2.9
108.05759	3.5
109.02901	0.9
109.06529	4.5
109.10172	1.6
112.86417	0.5
115.05487	1.2
117.07019	1.4
119.04981	1.3
119.08598	2.1
121.02872	1.0
121.06518	6.7
122.03658	0.9
123.04430	1.8
123.08072	0.9
123.11719	0.8
124.05219	5.4
125.06028	2.0
127.03905	1.0
129.07066	1.1
131.04971	1.6
131.08598	1.3
133.02884	3.6
133.06483	5.7
133.10159	1.2
135.04427	12.4
135.08104	1.9
135.11742	1.1
136.05223	3.5
137.02380	1.1
137.05974	3.5
139.07555	14.9
143.08641	0.9
145.06517	1.7
145.10175	2.7
147.04408	4.2
147.08069	3.1
148.05208	4.0
149.02354	14.4
149.06018	3.1
150.06767	1.3
151.07556	22.5
151.08784	1.1
153.05539	0.9
155.07101	1.5
157.10149	0.8
159.04433	23.8
159.08057	0.9
159.11720	1.4
160.05180	1.4
161.02332	3.8
161.05997	8.3
162.06769	7.3
163.03925	7.2
164.04744	1.3
165.05493	5.0
165.06767	1.0
165.09149	4.1
167.03418	6.8
167.07042	13.1
170.07272	0.8
171.04422	6.6
171.08090	1.3
173.05959	3.5
173.09628	1.0
175.03940	1.5
175.07564	2.5
176.04764	2.0
177.05481	16.6
178.06297	8.6
179.03555	3.5
179.07053	48.4
180.07399	0.8
181.04950	1.8
185.05969	0.9
185.09608	0.9
187.03873	3.1
187.11249	2.2
189.05536	1.2
189.09113	5.1
191.07047	28.5
191.10786	1.0
192.07825	54.0
193.05026	1.9
193.08635	6.7
195.06477	1.4
195.08072	6.2
198.06793	3.3
199.04019	1.0
201.09157	0.7
203.07043	12.4
203.08929	0.7
205.04979	1.2
205.12274	1.3
207.10144	3.1
210.98686	0.6
211.07616	0.9
213.09123	21.2
215.10703	2.0
219.06557	2.7
220.07405	2.4
221.04625	1.2
221.08084	9.1
223.07643	0.7
229.08533	1.1
231.10175	25.7
233.11855	1.0
241.08542	4.9
245.35866	0.7
251.12805	0.9
259.09607	5.0
281.08359	0.6
295.05905	0.7
313.10657	1.3
323.09061	0.9
325.10956	1.0
338.07864	3.9
341.10251	2.4
352.01654	0.6
353.10223	11.2
367.11499	1.1
367.15482	5.9
380.13211	0.8
385.16476	1.7
395.14978	23.6
396.15176	0.9
413.16037	100.0
414.16519	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	413.1597
Annotation	dalpanol
Peak:m/z	Relative Intensity
70.60436	1.1
70.60802	2.4
79.05487	1.4
81.07059	1.7
82.17928	0.7
91.05502	1.6
91.25970	0.7
103.05424	1.0
107.04961	1.8
109.06524	0.8
110.03678	0.9
117.07040	0.8
119.04939	1.4
119.08604	0.7
121.06537	3.2
123.04446	1.2
124.05243	0.7
125.06013	3.5
128.06216	1.0
131.04950	1.3
133.02887	1.0
133.06465	1.0
135.04446	2.0
136.05212	1.5
137.13252	0.8
139.03882	1.3
139.07530	1.6
143.08566	0.8
144.05737	0.7
145.06540	1.6
147.04419	5.4
147.08075	4.4
148.05193	2.9
149.02370	1.2
149.05981	2.2
151.07549	10.2
152.04742	0.6
153.05476	5.7
154.06258	2.4
155.08559	1.0
157.06448	0.7
159.04507	1.3
159.08092	1.0
160.05232	0.7
161.02396	2.4
161.06029	3.3
163.03958	1.1
163.07585	2.0
164.04669	1.3
165.05504	1.1
167.07065	13.2
171.08122	2.4
173.06020	1.1
176.04756	2.1
177.05510	1.0
177.09140	1.9
179.07057	11.8
181.04958	1.7
181.08539	0.7
181.53868	0.8
183.06531	1.0
185.06021	1.8
185.09663	1.0
187.03923	2.8
189.09131	12.6
191.07057	12.7
192.07637	0.8
193.04964	5.2
195.08081	2.2
197.05963	1.0
197.08110	2.1
199.07611	1.4
201.09048	4.4
203.07056	19.5
204.04240	0.9
204.07779	0.8
205.08589	1.6
207.06541	1.0
209.08142	3.6
211.07605	3.6
213.09164	3.0
214.06265	1.3
219.06546	21.1
219.08545	1.3
226.06322	4.1
227.07043	3.1
229.08614	28.4
231.10138	3.4
241.08574	10.7
259.09662	6.3
263.06873	0.9
285.09128	1.0
291.10083	0.8
303.10089	1.0
307.09552	0.9
321.11224	1.2
331.09772	3.1
334.08472	1.3
337.10803	1.5
339.15921	0.9
345.11301	1.2
349.10730	1.4
349.14502	1.1
351.12418	1.1
353.13791	1.3
355.15698	1.0
361.10718	0.7
363.12421	0.9
365.13910	4.1
367.15466	8.0
377.13898	11.4
385.16797	0.9
395.14944	12.8
397.76956	0.8
413.16000	100.0
414.16290	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1598
Annotation	Dihydroamorphigenin
Peak:m/z	Relative Intensity
53.03940	1.4
53.15903	0.8
54.53365	0.7
55.01860	0.9
61.20448	0.7
65.03951	1.6
68.08871	0.7
70.10167	2.6
78.09666	0.8
79.05486	3.6
81.07026	1.0
82.05531	0.8
85.69350	0.7
91.05492	4.8
91.37430	0.8
93.07051	0.8
94.04166	0.7
95.01373	1.0
95.04976	1.7
96.05786	0.7
103.05399	0.9
105.03391	1.0
105.07095	1.1
107.04975	2.4
108.05730	1.3
109.02907	1.6
109.06536	2.3
110.80857	0.7
115.05441	2.1
117.06990	0.9
118.04172	1.3
119.04955	1.1
119.08596	1.2
121.06484	5.2
123.04418	1.0
124.05193	3.9
129.07028	1.3
131.04953	1.6
131.08565	2.9
133.02895	2.0
133.06506	3.8
135.04431	9.9
136.05208	4.3
137.02354	2.3
137.05971	1.6
139.07535	13.2
141.06999	3.3
144.05705	1.6
145.06479	1.3
147.04413	2.8
147.08078	2.6
148.05154	4.2
149.02339	11.9
149.05981	2.5
151.07549	28.7
153.05478	1.0
155.07068	1.4
159.04428	12.2
159.08052	4.5
161.02379	2.8
161.05994	8.8
162.06763	2.7
163.03896	6.2
163.07578	0.8
164.04662	1.4
165.05426	1.1
165.09155	2.2
167.03418	5.7
167.07071	11.0
169.06505	2.1
170.07274	1.3
171.04425	0.9
171.07942	0.9
175.03943	1.4
175.07570	1.6
176.04762	1.2
177.05478	8.0
177.09122	0.8
178.06216	2.6
179.07039	78.4
181.05013	1.6
185.05952	2.1
187.03909	1.8
187.07516	8.3
189.05420	1.5
189.09106	3.8
191.07033	16.6
192.07828	22.5
193.04979	1.9
193.08609	3.5
195.08066	8.9
198.06729	4.3
203.07036	25.3
205.08618	16.4
207.10191	2.5
213.09129	16.9
214.09439	1.1
219.06540	1.0
220.07309	1.2
221.05959	1.3
221.08093	19.5
221.10117	1.5
231.10161	21.7
241.08614	3.0
250.77216	0.7
259.09641	4.9
311.09027	0.8
313.10730	1.7
323.09088	1.6
326.07745	1.1
341.10217	15.5
365.10132	1.2
367.15503	2.2
383.13992	1.3
385.16525	0.9
395.14984	12.5
396.14981	0.9
413.15970	100.0
414.16403	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1597
Annotation	(R)-Saclenone
Peak:m/z	Relative Intensity
53.03936	1.5
55.01884	0.7
64.43292	0.7
66.29831	0.7
69.42296	5.1
79.05495	2.2
91.05473	2.1
93.07038	1.2
93.55962	0.8
95.04974	1.2
103.05480	2.0
103.93417	0.7
105.07032	1.8
107.04961	1.6
108.05758	2.1
108.78288	0.6
109.06558	1.4
115.05479	0.7
117.07005	1.2
119.04956	0.7
121.06535	3.4
121.40292	0.8
123.04473	1.7
124.05210	4.4
130.00211	0.7
131.04932	2.0
133.02933	0.8
133.06461	4.5
135.04437	10.0
136.05191	1.8
137.02373	1.6
139.07558	13.2
145.06520	1.4
147.04413	3.2
147.08095	1.5
148.05188	2.4
149.02362	13.8
149.05983	2.7
151.07556	14.3
155.07074	1.9
159.04425	17.1
160.05188	1.3
161.02385	1.8
161.05995	6.4
162.06810	4.2
163.03957	4.6
164.04681	0.9
165.09148	3.4
167.03423	5.8
167.07034	9.5
173.05971	3.7
175.03909	1.1
177.05490	8.7
178.06078	0.8
179.07053	21.6
181.04999	1.4
185.05994	0.8
187.03899	3.2
189.09132	3.6
191.07056	21.0
191.08769	1.1
192.07820	34.4
193.08591	5.9
195.08064	5.6
198.06717	1.9
203.07079	5.7
207.10204	5.3
213.09094	12.2
219.06532	1.3
220.07430	1.3
221.08096	8.1
229.08389	0.7
231.10172	28.1
241.08728	1.4
259.09717	5.2
313.10709	2.5
341.10178	2.5
349.09943	0.9
367.15625	2.2
385.16547	5.2
395.14996	1.8
413.15979	100.0
414.16196	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	413.1596
Annotation	Garcidepsidone D
Peak:m/z	Relative Intensity
53.03955	6.6
55.01885	6.5
67.05530	7.3
67.88704	4.5
69.07084	23.2
69.20004	4.5
70.68855	7.8
70.69228	8.5
79.05503	20.2
81.03408	6.0
81.07037	7.1
91.05486	27.2
93.07027	5.6
94.04196	8.6
95.04985	13.9
107.04941	7.6
107.08602	6.6
108.05737	11.2
109.02905	8.5
109.06497	9.7
119.04956	7.1
119.08604	5.8
123.04429	15.5
124.05236	20.4
133.02844	5.1
135.04436	44.0
139.07553	52.9
140.04707	6.9
141.05473	10.9
145.02759	5.4
147.04498	6.5
147.08031	6.0
149.02446	7.0
151.07538	9.9
155.07033	49.7
161.02367	7.4
161.05994	5.9
163.03911	10.5
164.04694	5.5
165.06813	5.7
167.03387	5.1
167.07072	54.3
175.03931	12.2
177.05457	6.5
179.03400	7.5
179.07013	18.0
179.08488	4.9
185.06078	4.2
191.03391	82.2
191.07010	14.2
193.05023	6.5
199.03793	4.5
203.03384	100.0
203.07028	39.1
207.06473	6.9
208.07115	9.5
211.06032	6.7
219.06522	7.7
229.08536	20.9
245.08109	26.8
255.10181	5.7
257.08325	6.3
259.09680	81.4
295.09473	4.5
309.11227	4.5
311.09155	55.2
339.08820	9.6
357.09705	19.7
363.08649	66.3
367.15509	19.9
369.13568	11.9
376.60773	8.5
388.01138	8.8
389.05463	19.2
395.10568	7.8
395.14951	20.1
407.06607	5.8
413.16367	42.2
413.27286	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	413.1596
Annotation	dalpanol
Peak:m/z	Relative Intensity
54.45059	0.6
55.01865	1.5
57.03419	0.6
65.03918	1.2
67.92950	0.5
68.38358	0.6
68.60351	0.5
69.23819	4.6
69.24232	1.0
79.05482	2.2
81.07040	2.3
91.05492	3.2
95.01337	1.1
95.04960	1.6
100.17710	0.6
103.05468	1.1
105.03391	1.0
105.07048	1.4
107.04937	2.9
109.06496	1.4
110.03663	2.0
111.04404	0.7
115.05448	1.2
117.07023	0.5
118.04156	0.9
119.04919	1.2
121.06497	4.5
123.04417	3.7
124.05212	2.2
125.05997	5.6
128.06218	1.2
129.06979	1.4
131.04924	2.1
131.08562	1.1
133.02826	1.3
133.06473	2.0
135.04442	2.9
136.05206	3.3
137.05902	0.7
139.03929	1.4
139.07558	5.8
140.04768	1.2
141.07013	0.7
143.08623	0.6
145.02831	0.7
145.06483	1.4
147.04414	8.1
147.08035	6.7
148.05194	3.2
149.02365	1.4
149.05988	4.2
151.03897	1.4
151.07544	15.5
153.05478	7.5
154.06291	1.9
155.07063	1.6
155.08545	1.5
158.07259	0.7
159.04420	2.0
159.08028	1.8
161.02364	3.3
161.05977	6.2
161.09650	0.6
162.06813	0.7
163.03941	2.0
163.07553	3.8
164.04721	1.8
165.05484	1.7
167.07054	21.8
169.06439	0.7
170.07338	0.7
171.04527	0.7
171.08102	2.5
172.08789	0.8
173.05974	1.6
173.09583	1.3
175.03853	1.3
175.07567	1.4
176.04692	2.3
177.05511	1.6
177.09090	5.8
179.07050	20.7
181.04964	1.7
181.08548	2.8
183.06577	1.3
183.08084	1.3
185.06013	2.0
185.09715	1.3
187.03931	4.1
187.07590	0.9
188.04697	0.8
189.05446	1.0
189.09128	15.5
191.07033	19.3
191.08743	1.1
192.07753	1.2
193.04951	9.2
195.08061	2.6
197.05994	1.1
197.08105	2.4
198.06764	2.4
199.07516	1.4
201.09106	6.3
203.07031	27.2
204.04118	0.7
204.07828	1.2
205.04948	1.1
205.08670	1.3
207.06505	3.1
209.08096	6.6
211.07579	6.2
213.05508	1.5
213.09100	4.6
214.06274	2.7
219.06534	16.2
219.09990	1.0
223.07593	1.0
226.06300	3.1
227.07115	2.0
229.08609	50.2
230.08847	0.8
231.10179	7.1
237.07648	3.4
241.08629	6.8
259.09695	9.6
273.09262	1.0
277.08780	1.0
284.11017	0.6
287.07019	0.9
288.07788	1.1
293.08191	1.0
301.08896	0.9
302.09332	0.8
303.10196	1.9
305.08148	0.6
307.09836	1.1
309.11111	0.7
309.14691	0.8
316.07285	0.7
317.07755	0.8
319.06226	0.7
319.09677	1.9
321.11194	1.9
330.08823	1.8
331.09717	4.5
333.11200	0.8
334.08615	1.5
335.09177	1.5
337.10736	1.6
341.13928	1.0
345.11380	1.3
346.12000	1.3
347.09055	1.9
347.12930	1.4
349.10764	2.0
349.14447	1.4
351.12515	1.0
353.14023	0.9
355.15387	1.2
359.12680	1.1
365.10193	0.9
365.13950	6.9
367.15524	6.5
371.67322	0.7
377.13858	15.6
385.16507	1.4
395.14905	9.0
413.15955	100.0
414.16299	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	0.7
53.03887	1.0
55.01804	1.5
55.02044	1.0
56.81464	0.6
65.03885	1.4
67.05420	2.6
67.05755	1.0
68.99722	2.0
69.03381	0.8
69.06995	0.8
69.76697	3.9
74.61256	0.6
77.03883	0.8
77.09030	0.5
79.05402	5.4
80.51896	0.6
81.03330	3.4
81.06960	3.8
83.04913	1.2
90.62933	0.7
91.05482	4.0
93.07014	1.2
94.04108	0.8
95.01247	1.2
95.04978	4.3
95.08542	1.2
97.06533	8.4
98.21431	0.9
98.50304	0.6
105.03307	2.8
105.06982	1.6
106.04131	1.5
107.04968	4.0
108.02106	16.2
109.02896	15.2
109.03580	1.0
109.06430	2.6
111.04379	1.7
111.08038	1.0
115.05431	1.0
117.06951	1.0
119.04884	1.4
119.08505	1.2
121.02803	1.2
121.06495	3.1
121.10111	0.8
122.03589	1.2
123.04336	2.9
124.05199	1.1
125.06004	6.3
127.03849	0.8
128.06142	0.9
129.06946	0.8
133.02867	26.1
133.06454	1.0
135.00722	1.9
135.04414	4.3
137.05986	13.7
138.06760	5.5
139.07549	5.1
145.10081	1.0
147.04382	3.0
147.07986	2.8
148.05089	1.3
149.02335	3.6
149.05933	2.0
150.03078	1.9
151.02763	1.4
151.03912	21.8
151.07504	4.5
153.05412	1.8
159.04445	1.2
160.05238	0.7
161.02350	7.1
161.05986	4.9
163.03850	2.3
164.04680	1.7
165.05482	10.4
167.03314	2.1
167.07059	38.6
170.69113	0.7
175.03979	3.0
175.07466	1.1
177.01784	1.5
177.05373	1.5
177.09045	1.2
178.02663	4.0
179.03412	5.6
179.07092	4.3
181.06395	0.7
183.08049	1.1
185.05994	3.3
185.09682	0.9
187.03925	1.8
189.05487	0.9
189.09154	5.0
191.03288	0.7
191.07091	4.4
192.07739	1.3
193.04979	71.0
194.05487	0.9
195.08011	1.7
198.06786	1.5
199.07593	2.2
201.05502	0.8
201.09180	1.3
203.07042	100.0
204.07373	4.1
204.61615	0.7
205.01308	5.5
207.06525	0.8
209.08110	1.8
211.06020	20.5
213.09093	2.5
219.02983	3.4
219.06526	5.8
223.07649	1.2
226.06314	2.3
227.07034	1.3
229.08589	10.1
231.10161	1.3
241.08606	6.1
243.10228	4.5
251.07085	0.8
259.09683	2.3
269.08112	13.3
285.11237	1.9
293.08344	0.7
307.09668	0.8
309.11548	0.9
311.09113	1.3
319.09860	2.1
325.10907	1.0
331.09790	1.1
335.09027	0.8
337.10800	1.5
349.10852	1.1
351.12473	0.9
363.09113	2.1
365.14148	1.4
367.15814	2.2
369.13669	1.8
377.14072	3.4
381.09503	9.5
395.11035	16.5
395.14899	2.8
413.16440	29.2
413.30072	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	413.1233
Annotation	Aklavinone
Peak:m/z	Relative Intensity
52.18626	0.5
52.52452	0.5
53.15134	0.5
55.01873	0.6
57.91765	0.5
68.99782	1.7
70.03752	1.6
73.85440	0.5
80.27746	0.5
81.03415	0.9
81.07041	1.0
91.05486	1.2
93.07061	0.5
95.01308	0.9
105.03403	0.6
107.04955	0.8
107.08549	0.5
109.02854	0.6
109.06568	0.6
121.02781	0.6
121.06533	1.1
122.34816	0.5
124.05217	0.5
129.06969	0.5
133.02878	1.2
135.04431	1.7
137.02414	1.1
147.04359	0.7
149.02362	3.1
149.05966	1.5
151.03902	0.6
151.07527	2.7
159.04384	1.5
160.05205	0.6
161.02338	1.8
161.06000	1.1
163.03917	4.3
164.04706	0.6
165.05431	0.7
167.03419	1.6
167.07103	1.1
175.03963	0.8
177.05455	2.1
179.07042	8.1
185.06010	1.8
187.03876	1.2
191.07072	1.7
192.07861	0.9
193.04901	0.6
193.08569	0.8
199.03938	1.3
201.05626	0.6
203.07039	8.2
205.01392	1.1
213.09042	0.5
219.08238	1.0
221.08069	1.8
223.07643	0.5
226.06209	0.5
227.03378	0.9
229.08627	1.9
231.10187	1.6
235.07538	0.8
236.08363	0.7
237.05473	1.0
237.09108	1.6
239.10687	0.8
247.07629	1.0
249.09137	2.2
250.06235	1.9
251.07014	1.4
251.10645	1.0
252.07722	1.3
255.02821	1.3
261.09155	1.5
263.06888	0.7
264.07925	0.9
265.08560	2.5
267.10184	2.2
275.07016	0.9
277.08606	1.9
278.05679	1.4
279.06586	0.7
279.10141	1.9
280.07428	0.8
289.08502	1.4
292.07278	1.4
293.04788	0.9
293.08176	1.6
293.36194	0.5
295.09659	8.3
303.06482	1.7
305.04517	0.5
307.09677	9.7
311.09158	0.7
317.08139	0.6
319.05969	0.6
320.06595	0.9
321.07596	5.0
329.53162	0.5
335.09033	4.5
337.10764	4.7
339.08606	0.9
341.10172	4.2
345.07407	2.3
348.06378	1.1
363.08630	100.0
364.08923	4.0
381.09641	6.4
395.11121	4.4
395.15436	0.6
413.11441	1.1
413.16428	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	413.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51573	0.4
55.01859	1.4
65.03951	0.5
67.05512	0.6
68.99784	1.8
69.03441	0.4
69.07082	0.4
69.65115	2.1
69.65533	0.9
71.05025	0.5
79.05508	1.0
81.03409	0.5
81.07053	1.4
91.05467	1.5
95.01344	1.0
95.04972	1.0
95.08623	0.7
98.21504	0.5
105.03395	1.2
105.06995	0.8
105.39242	0.5
107.04955	1.2
109.06544	1.1
109.10154	0.7
111.04484	0.8
117.06959	0.5
119.04955	0.5
121.06538	0.8
121.31422	0.4
123.04442	0.6
129.07047	0.5
133.02899	0.8
133.06479	0.5
135.04414	2.0
137.02350	0.9
137.05994	0.4
139.07588	0.6
140.27118	0.4
141.05479	0.5
141.07140	0.5
147.04459	0.8
148.05067	0.4
149.02361	2.8
149.05893	0.5
151.03915	1.0
151.07521	2.7
154.27284	0.5
159.04436	0.8
160.05132	0.6
161.02335	2.1
161.06033	1.6
163.03938	2.5
164.04674	0.5
165.05486	0.9
167.03415	1.4
167.07063	1.1
168.35387	0.4
171.04469	0.9
173.06070	0.4
175.03934	1.0
175.07562	0.5
176.94217	0.4
177.05510	1.7
178.06015	0.4
178.07820	0.6
179.03482	0.7
179.07053	6.3
181.01384	0.6
181.06464	0.6
185.06036	2.4
187.03937	2.0
189.05620	0.5
189.09111	0.7
191.07034	1.5
192.07771	0.4
193.04993	1.2
195.08044	0.5
197.05933	0.5
199.03938	1.1
199.07526	0.6
203.03484	0.5
203.07047	12.3
205.01379	1.2
209.06024	0.5
209.09663	0.5
211.06058	1.7
213.09157	0.6
219.06354	1.0
219.08109	1.1
221.06064	0.7
221.07948	0.6
223.07620	0.6
227.03387	0.8
229.08621	2.8
231.10167	0.9
233.09842	0.4
235.07664	0.8
236.08440	0.8
237.05507	0.7
237.09171	2.5
239.10623	0.5
241.08531	1.1
247.07503	0.9
249.09090	2.0
250.06256	2.0
251.07042	1.6
251.10617	0.8
252.07983	0.8
253.08691	0.6
255.02893	1.3
259.09683	1.0
261.09122	1.7
263.07083	0.7
264.07843	1.2
265.05161	0.5
265.08594	1.9
267.10187	2.5
269.07886	0.5
269.11487	0.7
275.07166	1.4
277.05453	0.5
277.08533	1.9
278.05707	1.6
279.07111	0.6
279.10156	2.2
280.07327	0.9
289.08643	1.4
291.06628	0.5
292.07312	1.5
293.04550	0.9
293.08084	2.2
295.06314	0.7
295.09671	8.5
296.06491	0.5
303.06519	1.3
305.04391	0.4
305.32910	0.5
307.09683	9.5
309.11227	1.2
311.09476	0.5
317.08026	1.2
319.05963	0.5
319.09579	0.6
320.06924	1.1
321.07568	5.1
335.09146	3.8
337.10690	4.2
339.08701	0.6
341.10233	3.0
345.07513	2.5
347.05508	1.1
348.06155	0.5
363.08646	100.0
364.08887	2.4
377.13916	0.6
381.09732	6.2
395.11102	5.4
413.12402	1.5
413.16443	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	413.1234
Annotation	Austocystin D
Peak:m/z	Relative Intensity
53.03942	9.6
55.01873	6.3
55.05503	4.7
56.96570	7.0
57.03440	4.8
59.55231	2.2
65.03939	4.4
67.05508	10.8
67.69599	2.9
68.99784	6.1
69.03428	8.2
69.07079	6.0
71.58387	4.5
72.08150	3.8
77.03934	4.3
79.05497	41.2
81.03424	10.6
81.07062	18.5
83.04976	8.8
83.08640	3.4
85.02897	7.4
85.06580	2.8
91.05485	27.6
93.03420	4.0
93.07056	18.3
94.04182	5.1
95.01348	5.7
95.04964	15.1
95.08603	7.6
97.02916	4.7
97.06549	13.9
98.97593	16.2
99.04474	4.1
102.78720	2.4
103.05463	6.1
105.03400	19.6
105.07036	20.8
107.04962	66.3
107.05683	3.3
107.08578	9.5
109.02890	6.3
109.06533	31.4
111.08098	2.8
115.05474	7.7
116.19386	2.5
116.98621	10.5
117.07018	10.9
119.04968	7.9
119.08631	5.9
121.06476	14.6
121.10155	5.7
122.03685	6.8
123.04441	8.8
123.08080	3.5
125.06007	9.7
127.04012	4.9
128.06265	8.4
129.07001	5.1
131.05002	3.2
131.08546	7.1
133.02858	54.6
133.06488	4.7
133.10144	4.1
135.04451	27.2
135.11661	3.4
137.05977	64.1
137.09653	2.5
141.07010	4.8
143.06984	3.7
143.08568	4.6
145.06464	13.5
145.10083	19.7
147.04419	13.7
147.08014	4.9
147.11662	5.4
149.02316	13.6
149.06009	5.7
149.09683	4.0
150.03157	11.5
151.03949	3.6
151.07558	7.9
153.05447	4.6
155.04892	3.4
157.06508	3.7
159.04393	7.2
159.11734	7.0
161.02370	9.3
161.09639	4.1
163.03909	8.6
163.11185	7.7
164.01196	2.6
165.05475	75.5
165.06886	4.6
167.03400	13.9
167.07072	6.5
169.06520	2.8
173.05980	20.7
173.09612	8.7
175.07594	12.4
177.05473	36.4
178.06206	6.8
179.03429	9.0
179.07033	7.6
181.06508	5.9
183.04460	5.5
185.05986	3.2
187.07524	4.6
187.11206	14.3
191.03416	13.5
191.06964	12.4
191.10669	7.7
192.07790	11.1
193.04982	54.6
195.06505	13.7
197.06032	3.9
198.06775	3.2
199.07568	3.1
201.05507	25.3
203.07056	7.1
205.12286	10.9
207.10081	2.6
208.97517	4.6
209.11597	3.1
211.07571	3.7
213.05507	2.9
213.09142	6.0
215.08755	5.0
215.10751	10.4
218.07115	4.4
219.06534	100.0
221.04440	63.7
226.98653	5.2
227.07066	7.2
231.10152	6.1
232.08823	2.9
233.09601	3.8
233.11749	7.2
236.08643	2.6
237.05571	3.8
241.05043	2.7
249.09230	3.3
260.08429	4.2
261.09131	6.1
261.94394	2.8
263.07028	4.2
265.04941	4.0
277.08618	4.1
288.07883	3.5
289.08582	7.8
297.07632	7.4
300.06354	2.7
303.09879	3.1
305.08228	4.0
305.11710	2.5
311.09070	2.8
317.08115	9.4
321.11221	8.5
325.07175	2.9
331.09723	5.1
334.08447	3.1
335.09290	3.7
338.01346	3.4
349.10721	15.6
353.03372	2.8
353.10187	3.5
356.02014	3.7
359.00858	27.7
359.08908	3.6
363.08725	3.3
365.10199	2.6
367.11816	7.2
371.04391	19.7
374.03137	38.0
377.01883	25.4
377.10150	13.2
381.09729	21.5
383.11209	11.7
389.05301	30.7
392.04153	38.1
395.10944	19.2
395.15955	2.9
395.21158	5.4
413.05472	59.4
413.12268	60.3
413.16483	11.5
413.21564	22.1
431.06442	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.7
55.05512	8.4
57.03430	11.6
61.02914	4.1
62.27016	4.3
64.69801	3.7
67.05489	6.1
69.03429	53.2
69.07067	53.5
69.95796	8.8
69.96185	10.6
71.04994	6.0
72.08137	7.7
73.02909	15.9
79.05435	4.0
81.03403	18.4
83.08604	8.6
85.02905	100.0
87.00838	34.3
87.04435	9.0
93.07014	5.8
97.02888	41.8
99.04445	13.5
105.01880	36.0
105.06964	4.4
109.02904	26.3
109.06549	4.9
111.11734	22.3
115.03946	23.9
119.08615	4.6
124.07465	4.3
127.03918	65.1
129.12755	38.2
133.04977	15.7
145.04947	23.7
147.13875	6.4
152.05707	11.8
159.02887	6.6
163.05983	5.3
171.31001	4.1
212.40451	4.5
229.93018	4.7
231.05009	16.1
238.37515	4.7
249.06071	4.6
285.90814	4.2
412.20221	24.9
413.21768	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66058	2.8
55.01870	4.9
55.05514	6.4
57.03436	22.9
57.97070	2.8
59.04985	4.6
61.02913	5.3
63.91795	3.2
69.03078	4.2
69.03434	76.7
69.28931	7.6
69.29349	25.7
69.41129	2.9
70.06588	3.9
73.02930	3.7
74.51723	2.7
77.73132	3.5
81.03407	10.3
81.07018	4.7
83.08620	6.2
84.08124	3.4
85.02434	6.9
85.02912	100.0
86.09747	3.5
87.04469	48.4
91.05501	4.0
95.04966	11.4
95.08591	4.0
96.05343	4.1
97.02891	62.7
98.20683	6.9
98.97571	9.3
99.04455	7.1
100.08839	3.1
103.05465	4.0
109.02876	8.9
110.24767	3.2
115.03936	69.3
116.98607	3.9
120.08078	3.1
127.03927	28.2
131.04926	6.8
132.05286	5.1
133.04968	78.1
133.10033	4.9
138.69739	3.4
143.86581	3.3
145.04985	40.7
146.06052	15.0
150.07664	5.8
158.99715	3.9
163.06041	26.2
175.07622	5.3
176.07899	9.4
263.14975	4.2
277.09317	4.9
295.10312	4.6
299.05505	3.9
319.10736	3.7
320.11121	4.3
412.20251	39.7
413.21451	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	412.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01856	3.7
55.05494	5.0
56.05031	1.2
56.06956	1.2
56.96555	3.8
57.03424	5.2
58.99596	6.3
61.02916	5.0
69.03125	1.4
69.03432	13.0
69.07050	1.4
70.06589	3.4
70.18217	4.7
70.18568	1.6
71.04984	3.5
73.02912	3.6
76.02231	11.6
79.05502	1.6
81.03422	5.9
81.07061	9.4
81.12859	1.1
83.04973	4.7
83.08580	1.4
84.08112	2.4
84.95988	1.3
85.02428	2.2
85.02908	34.8
85.06546	100.0
85.08915	1.9
86.00635	1.7
86.09727	1.7
86.99042	4.5
87.04453	2.2
88.02219	1.4
88.03983	4.8
91.05495	5.9
93.07037	8.2
95.04984	1.9
95.08597	2.3
97.01106	3.6
97.02904	14.2
97.06535	1.8
98.97585	8.9
99.04446	2.3
99.08088	2.2
100.02181	5.1
102.09162	2.8
105.00082	6.0
105.71498	1.1
109.02866	3.9
110.05938	1.4
110.97550	1.7
111.08086	50.2
116.98623	2.5
122.02738	67.3
122.12142	1.2
125.04235	10.6
127.03889	6.7
127.05772	1.4
128.10684	4.2
128.98567	1.5
129.09126	14.1
132.01141	5.3
134.02736	1.7
143.05240	3.7
145.04945	4.7
146.02701	3.7
147.04417	1.4
151.71867	1.4
156.10205	1.3
158.99654	2.8
164.03714	1.4
166.86563	1.1
167.06970	1.9
174.11272	2.4
186.09460	2.2
214.08981	2.1
215.07353	4.3
219.01724	3.5
227.06738	1.3
227.56914	1.5
232.08322	3.5
232.10091	34.2
233.08377	1.4
237.02754	1.7
250.11108	58.7
251.11534	1.5
284.08017	3.4
353.05737	1.4
380.15671	1.6
412.17938	11.1
413.14001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2169
Annotation	andilesin B
Peak:m/z	Relative Intensity
51.49629	2.6
55.60783	2.2
56.44362	2.5
70.82159	6.3
79.05495	4.5
81.07046	4.1
86.20518	3.0
91.05486	86.4
103.94981	2.7
107.04884	2.6
119.08613	3.6
121.06494	4.6
147.04411	3.1
149.02307	2.6
151.07578	8.6
151.23300	2.6
162.43187	2.7
165.01826	4.3
166.02161	6.1
175.03922	12.7
177.05492	3.6
179.07024	9.5
179.08435	4.5
191.07004	7.5
199.07603	2.7
203.07083	10.1
211.07555	4.0
225.09116	6.3
227.06958	3.5
235.07475	6.1
248.08405	3.2
253.08630	100.0
268.88477	3.5
269.08292	3.4
270.08566	6.5
271.09277	7.4
279.06656	5.0
283.09656	2.7
291.10199	4.0
303.06580	3.4
307.06036	2.6
309.11255	5.5
311.09341	5.5
317.72839	2.6
319.09802	12.4
333.11438	7.0
334.12122	2.8
337.10437	3.1
351.12399	6.9
355.49103	2.7
361.10605	3.5
367.15668	4.1
375.19553	9.1
379.11725	5.2
383.15045	3.4
387.97510	2.8
393.13272	46.7
393.20605	49.8
411.14993	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	411.1992
Annotation	(+)-Picriside B
Peak:m/z	Relative Intensity
51.38156	0.4
55.05517	0.6
57.54752	0.4
67.05497	0.9
69.03423	0.7
69.92580	1.9
71.00735	0.6
79.05504	0.9
81.03413	0.6
81.07027	0.8
85.02874	0.7
87.18857	0.4
91.05481	0.8
93.07035	1.0
95.04981	1.7
95.08604	0.9
97.50644	0.4
98.97538	0.7
99.04453	0.4
105.07029	1.2
107.08561	0.6
109.02907	0.5
109.06543	0.5
113.06015	0.4
119.08557	0.7
120.86749	0.4
121.06565	0.6
125.06057	0.4
127.03919	0.6
129.07014	0.6
131.08569	0.7
133.10143	0.9
135.04381	0.6
143.08556	0.6
151.07465	0.5
158.99693	0.5
161.09650	0.5
163.11212	0.5
175.07309	2.8
177.05547	0.5
179.07106	0.5
191.07063	0.6
192.07851	1.1
203.05240	2.1
209.11897	0.7
231.13577	3.1
249.14803	1.3
273.14825	0.5
287.41675	0.4
329.21707	0.5
367.17349	1.1
393.19058	1.9
410.70856	0.5
411.19885	100.0
412.20245	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	411.2168
Annotation	Xanthoangelol J
Peak:m/z	Relative Intensity
53.03940	1.3
55.01862	1.8
55.05510	1.1
62.44250	1.0
65.03934	3.8
68.42422	1.0
69.07067	11.9
69.32700	2.2
69.33106	6.1
74.53731	0.8
79.05484	4.1
81.07053	4.5
83.01322	3.7
90.18156	0.9
91.05466	4.3
93.03404	2.2
95.08592	2.0
97.02859	1.1
107.04955	100.0
108.05287	1.6
111.11713	4.2
119.04942	18.5
121.02885	5.0
121.06509	3.9
123.04430	16.4
123.11713	2.2
123.60799	1.0
131.01268	3.1
131.04913	3.5
133.06480	3.0
135.04417	4.4
137.06001	2.2
147.04410	22.8
148.05159	1.4
149.02345	74.7
149.05948	1.5
151.03885	1.2
151.07564	2.0
152.06172	1.4
157.06453	2.1
161.05995	2.3
163.03914	29.4
165.06970	2.2
167.03403	40.4
167.07254	1.2
167.08603	2.7
169.06558	1.9
175.03877	6.1
175.07632	1.3
177.05453	3.9
177.06917	1.9
179.06996	3.1
181.04987	4.0
191.06992	4.3
192.07733	5.0
195.08067	9.3
197.06058	1.0
198.06831	2.1
199.07492	1.3
203.03258	0.9
203.07054	8.3
205.06480	1.3
211.07562	1.1
213.09097	8.2
222.06624	1.4
223.07561	6.6
226.06482	1.2
227.07008	1.3
229.08691	1.7
241.08592	54.9
242.08783	1.5
247.16908	2.6
251.07004	16.6
255.10143	3.6
257.08124	1.4
269.08096	98.4
270.08450	2.7
273.14877	4.0
283.09662	3.1
283.12939	1.2
287.09140	28.5
287.16452	2.3
289.85812	1.1
309.11096	1.2
319.06329	1.2
349.10922	1.0
365.21201	6.3
379.11792	3.0
393.20544	9.0
411.14359	7.9
411.19565	1.0
411.21869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
53.44921	0.4
56.26091	0.4
61.92364	0.4
66.72174	0.4
69.03394	0.4
69.23110	4.7
69.23437	0.9
79.05489	0.9
80.73248	0.4
81.07052	0.7
85.02893	0.7
91.05439	0.7
108.08103	0.6
110.06067	0.7
124.07585	1.1
125.08372	0.5
126.09151	1.4
136.07582	0.7
138.09131	1.5
147.04582	0.5
152.10696	1.2
162.04156	0.7
164.07013	0.5
166.08643	1.9
186.12814	0.6
188.14343	0.6
191.07036	0.5
231.15045	0.5
249.16010	1.9
273.15988	1.7
291.17026	10.4
393.11456	0.4
411.19904	100.0
412.20178	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	411.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35311	0.3
53.02107	0.3
57.51014	0.3
59.00303	0.3
67.05508	0.4
69.03415	0.5
69.34283	0.5
69.34699	2.2
70.06593	1.9
71.06910	0.5
74.68230	0.3
79.05482	0.5
81.03374	0.3
81.07085	0.4
84.04469	0.5
85.02892	0.4
86.40387	0.3
91.05500	0.4
93.07034	0.3
95.04996	0.4
97.10174	0.3
100.52381	0.3
107.04955	0.4
107.08600	0.4
120.08087	0.7
121.06471	0.5
121.10149	0.4
122.55552	0.3
131.04871	0.3
131.08571	0.3
135.11685	0.4
163.11226	0.4
191.06984	0.4
203.05290	4.7
203.07094	0.5
231.13527	2.4
238.43942	0.3
249.14745	0.8
273.14914	0.3
314.99313	0.3
329.71545	0.4
367.17029	0.7
381.18854	1.4
393.18744	0.6
411.19897	100.0
412.20206	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	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
53.03941	0.5
54.00409	0.3
56.96566	0.5
57.03427	0.4
57.44638	0.4
67.05495	0.5
69.03423	0.7
71.01729	0.4
71.02078	0.6
71.05008	0.5
78.36897	0.3
81.03423	0.4
81.07060	0.8
85.02905	2.2
86.09715	0.5
87.00825	0.4
91.05484	0.5
93.07043	0.4
95.04977	0.8
95.08623	0.8
97.02862	0.5
98.97591	1.2
105.07053	0.5
107.08566	0.5
110.10622	0.4
119.08607	0.5
121.10187	0.8
127.03864	0.4
128.19365	0.4
133.06529	0.5
133.10187	0.4
137.61009	0.4
163.07542	0.5
163.11125	0.4
175.11203	0.7
182.96362	0.4
191.07300	0.4
193.12268	0.4
203.05360	0.6
229.08754	0.4
249.14575	0.5
287.05515	0.8
361.02267	1.2
388.86679	0.4
405.65927	0.4
411.19925	100.0
412.20285	2.8
427.16263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60873	0.4
62.08873	0.6
70.13158	0.7
70.13502	2.0
73.02910	0.6
77.38121	0.5
85.02906	0.6
91.81589	0.6
92.81562	0.5
98.21416	0.8
98.97588	0.9
119.08589	0.6
120.86964	0.5
191.48932	0.6
192.07823	0.7
203.05276	3.2
218.35278	0.5
223.36391	0.5
231.13608	1.3
241.75383	0.5
249.14728	1.3
306.41351	0.5
325.72324	0.6
349.16254	1.2
353.15753	0.7
367.17371	1.0
393.18790	1.2
411.19922	100.0
412.20212	4.1
417.77756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48339	0.4
55.05511	0.6
57.03441	0.7
69.03439	1.2
70.06583	1.0
70.32590	1.8
70.51485	0.5
73.02930	0.9
79.05494	0.5
79.07124	0.5
81.03432	0.9
81.07076	0.8
83.08617	0.7
84.04501	0.7
85.02924	2.4
87.00826	0.8
91.05519	0.6
93.07044	0.5
95.05000	1.1
97.02919	1.1
98.21405	0.6
98.97594	1.2
103.05482	1.8
107.08554	0.7
117.07072	0.7
120.08118	1.8
122.23809	0.5
123.55850	0.5
127.03922	1.3
131.04942	3.5
136.07576	0.7
151.07628	0.5
160.05220	0.5
160.61119	0.5
163.07585	1.3
175.03355	0.4
175.07558	2.5
186.94579	0.5
187.07547	0.5
203.05276	2.1
205.08589	0.7
218.09898	0.5
250.75276	0.5
271.09567	0.6
327.07565	0.7
337.09888	0.6
351.07935	0.8
393.08737	1.0
411.19949	100.0
412.20059	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	411.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47834	1.2
53.03940	1.9
55.01872	2.2
55.05516	3.2
57.03436	2.8
57.07064	1.7
59.05000	1.9
67.05508	34.2
67.75437	1.4
69.03420	6.0
69.07097	1.3
69.21916	14.8
70.06598	3.3
70.37096	1.4
71.04999	100.0
72.08145	1.9
72.60973	1.4
79.05473	1.8
81.03407	6.3
81.07044	3.7
83.08618	2.4
85.02917	16.2
85.06542	6.5
86.49545	1.5
87.00821	5.8
91.05468	3.0
91.49208	1.4
93.07071	2.0
95.25894	1.4
97.02882	4.7
98.97572	3.7
99.04455	2.2
103.05409	2.2
105.01859	1.4
105.07055	1.5
109.02879	4.2
109.10161	23.5
110.06004	2.3
120.17832	1.6
121.06519	1.7
127.03900	6.6
127.11199	76.7
128.11520	1.7
135.04449	2.2
145.04919	2.6
145.12251	43.6
152.07043	1.5
163.03925	3.9
163.07489	2.6
163.08669	12.8
163.13307	28.5
206.09196	2.2
216.87361	1.3
218.05736	2.2
227.35225	1.7
236.06732	1.8
246.05113	3.5
249.12360	4.7
289.05429	1.9
300.82031	1.5
339.69785	1.5
352.00201	1.6
375.09708	2.0
411.12817	2.3
411.19016	2.9
411.24139	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	411.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74619	0.5
71.30629	0.8
72.08140	0.5
78.93387	0.4
81.03423	0.5
109.02808	0.5
127.03924	0.7
191.03140	0.4
196.25339	0.4
203.05258	0.9
249.09396	0.9
249.11290	0.5
253.33707	0.4
267.10757	2.0
291.10812	0.5
411.16205	100.0
412.16754	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	411.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
53.75025	1.0
55.01864	2.2
55.05509	4.2
57.03428	1.2
59.04998	2.4
67.05165	1.8
67.05509	28.8
69.03432	4.0
70.06581	1.2
70.85561	2.5
71.04996	100.0
78.12624	0.9
81.03413	2.5
81.07066	2.9
83.08637	2.9
85.02899	8.4
85.06540	4.1
87.00820	3.4
95.70399	0.9
96.44271	1.0
97.02882	3.2
105.01886	1.8
109.02881	3.5
109.09447	1.9
109.10160	24.1
127.03909	3.6
127.11199	73.8
145.12247	46.1
146.12579	1.2
159.02882	1.6
163.07458	1.9
163.08665	9.2
163.13310	27.4
169.02463	1.0
190.60489	1.3
276.21381	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.8
56.96570	2.7
57.03455	4.0
59.05001	3.6
59.53834	1.7
61.02932	2.5
67.05508	42.2
68.05881	2.2
69.03431	13.0
69.39196	8.4
69.39621	5.2
69.51781	1.5
70.06598	8.1
71.05000	100.0
72.05340	2.9
72.08145	2.4
73.02918	2.8
79.05471	1.8
81.03410	7.7
81.07056	7.7
83.04959	1.7
83.08626	3.6
84.08173	1.8
85.02915	16.9
85.06533	8.0
86.09732	1.6
87.00842	5.6
87.04504	1.9
91.05470	4.9
97.02913	9.7
98.20786	3.4
98.97600	3.8
99.04467	2.6
103.05490	5.0
105.01898	5.9
107.04974	2.6
109.02906	7.2
109.10163	44.8
109.13982	1.5
119.08629	2.7
121.06525	2.3
127.03929	7.5
127.11198	35.2
131.04933	8.4
139.07504	1.9
145.04970	2.7
145.06435	2.4
145.12239	35.0
147.04375	2.3
147.08023	1.9
151.07530	2.6
159.04337	1.9
163.03911	6.1
163.05991	2.4
163.07498	4.1
163.08725	3.2
163.13297	26.6
173.05882	1.8
175.07567	7.7
177.05510	2.7
179.06967	2.3
185.84848	1.9
189.09149	2.6
191.07060	6.8
192.07848	5.9
203.06981	2.2
221.66385	1.6
229.08624	2.3
289.05420	2.5
375.10947	1.9
379.90024	2.0
393.12601	1.9
411.10922	9.3
411.20944	4.0
412.11905	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	411.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	0.7
70.84141	1.2
83.79174	0.6
84.42574	0.6
86.46195	0.6
98.77979	0.6
103.07580	0.8
125.66645	0.6
127.03947	1.4
226.11844	0.7
249.09576	0.7
260.72928	0.5
267.10733	1.8
309.11887	1.1
411.16180	100.0
412.16394	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	411.1442
Annotation	Lactupicrin
Peak:m/z	Relative Intensity
50.11643	0.8
55.01857	1.4
55.05508	1.3
65.03951	1.2
65.89359	0.9
70.74158	2.6
75.73524	0.9
79.05497	2.6
81.07056	3.4
84.08178	0.9
89.07438	1.0
91.05499	3.2
93.07047	2.7
95.04994	1.1
95.08617	2.0
97.02874	0.9
97.06509	0.9
103.05496	1.6
105.03424	1.4
105.07047	2.9
107.04958	3.4
107.08603	1.2
109.06534	1.1
109.10133	1.2
111.04435	1.3
115.05460	1.8
117.07018	0.9
119.04929	1.2
119.08608	1.5
121.06503	1.8
121.10146	1.5
123.04482	1.2
124.05220	1.5
129.07053	1.3
131.04956	0.9
131.08577	2.6
135.04428	3.3
135.08125	1.1
139.07553	2.0
140.10658	1.0
141.07001	2.3
145.06474	1.5
147.04396	9.9
148.05191	1.8
149.02361	4.1
149.06070	1.1
151.03911	1.9
151.07532	3.5
153.05495	1.4
155.08540	1.9
157.06564	1.3
157.10118	1.2
159.04427	2.9
159.08086	2.1
159.11743	0.9
161.02310	1.8
161.05972	3.5
163.03906	2.4
167.03400	1.3
167.07071	4.1
167.08395	1.0
171.08067	1.4
173.05968	4.5
175.03981	2.3
176.04623	2.1
177.05486	3.2
178.06277	2.0
179.07077	4.4
183.08037	1.4
184.60873	0.9
185.06087	2.3
187.03864	5.3
187.07623	4.3
189.05426	2.2
189.09143	1.6
191.07045	35.6
191.08783	1.9
192.07785	7.0
193.04980	2.9
195.08133	1.8
197.05971	2.1
198.06639	2.5
200.04758	1.2
201.05530	1.7
201.09120	1.0
203.07001	4.5
205.04927	2.2
205.08630	3.0
207.06494	3.1
211.07550	2.5
213.05496	2.8
219.06415	2.2
223.07549	1.3
227.03128	1.4
229.08528	4.9
237.05385	1.7
237.09090	1.5
239.07158	1.5
241.04845	1.2
241.08568	1.8
242.05939	1.1
251.07056	3.9
252.07921	2.7
256.86511	1.0
257.08084	6.8
261.09106	2.4
262.10022	1.1
263.07071	1.8
263.10593	1.0
265.04971	2.2
265.08490	1.2
266.05603	1.1
267.06540	3.1
268.07385	1.3
269.08026	1.6
275.07086	2.3
275.10544	1.0
276.07828	0.9
277.08597	1.6
279.06567	5.5
279.09799	1.6
280.07401	2.5
281.08057	2.0
287.00031	1.1
287.07227	1.3
289.08606	1.4
291.06744	1.8
291.10107	2.5
292.07355	1.5
293.04721	1.3
293.08105	4.3
294.08755	1.1
295.06152	3.4
295.09711	1.1
297.07556	2.3
301.08621	1.2
303.06540	5.2
303.10202	3.2
304.06842	1.4
305.08078	2.0
306.09006	1.3
307.05984	3.5
307.09702	5.8
308.06644	1.2
309.07526	2.3
309.15131	1.7
310.08203	1.0
311.09171	15.4
317.08139	1.5
318.08923	3.2
319.09683	4.1
320.06827	1.1
321.07855	2.0
321.11230	5.6
322.08414	2.2
322.11929	1.0
323.09314	1.2
323.12848	1.2
325.07083	1.1
329.08041	1.6
331.05975	1.4
331.09750	2.4
332.06808	1.8
332.10532	1.2
333.07584	1.6
333.11227	8.1
335.05331	1.4
335.09103	19.0
336.09869	1.8
337.06903	1.4
337.10629	1.6
339.08679	22.2
346.08530	1.2
347.09088	9.3
347.12848	3.3
349.07144	1.2
349.10788	9.0
350.11386	5.7
351.05005	12.7
351.12274	2.8
353.09842	1.2
361.10751	4.0
362.11664	2.9
363.08627	3.1
365.13870	100.0
366.07452	4.3
366.14188	2.2
379.11697	3.3
380.12540	2.2
381.09668	33.9
381.14407	1.8
383.14911	31.9
393.13562	12.8
411.14822	40.9
411.26199	1.8
412.15396	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1443
Annotation	Sumatrol
Peak:m/z	Relative Intensity
52.65370	0.7
53.03947	2.2
55.01873	1.3
67.05508	1.2
68.99784	0.8
69.42477	3.1
69.42903	2.9
77.03941	1.4
79.05496	14.3
81.07063	1.7
83.05020	0.7
85.98151	0.8
91.05466	4.8
91.12202	0.7
93.07043	2.0
94.04192	1.2
95.01343	0.8
95.04961	1.7
98.21465	1.2
103.05476	1.9
105.03387	2.4
105.07026	2.7
107.04960	24.8
108.05774	3.8
109.02906	1.0
109.06538	2.1
115.05477	4.4
117.07019	4.8
118.04134	1.5
119.04964	0.9
121.06519	5.7
122.03659	1.2
123.04449	1.0
124.05225	6.8
125.06004	1.0
128.06273	1.2
129.07027	2.4
131.04926	1.5
131.08575	3.5
133.02892	1.9
133.06503	4.5
135.04417	7.1
135.07956	0.7
136.05197	5.7
137.05946	1.1
139.07544	14.5
141.07007	3.2
144.05711	2.1
145.06503	7.7
147.04427	4.9
148.05205	5.5
149.02353	7.5
149.06023	2.1
151.03957	0.9
151.07550	31.6
153.07013	2.3
154.07715	1.1
155.04939	1.0
155.07089	1.9
155.08563	3.2
157.06485	1.1
159.04416	14.0
159.07980	3.7
161.05971	5.8
161.13271	0.7
162.06795	5.2
162.53036	0.8
163.03922	3.8
163.07567	0.8
164.04747	0.8
165.05562	1.2
165.06955	1.7
165.09082	3.6
167.03412	3.5
167.07057	11.8
168.05690	1.9
169.06500	5.8
170.07298	3.1
171.04466	0.9
173.05978	8.5
175.04082	1.1
175.07582	1.2
176.04695	3.3
177.05493	13.1
177.06888	1.4
178.06250	2.4
179.07043	100.0
180.07324	1.1
181.05006	2.5
183.04443	1.3
183.07977	4.5
185.05954	1.4
187.03955	2.5
187.07562	11.8
189.05499	0.9
191.03410	0.9
191.07040	36.3
192.07825	27.2
193.08748	5.0
198.06833	3.0
201.05475	36.4
201.09190	3.1
202.05931	1.1
205.08665	1.8
211.07526	17.9
213.09044	1.2
215.07056	8.1
219.06551	21.9
220.07230	1.6
227.07018	2.3
229.08609	25.5
237.07521	1.5
239.07060	2.2
257.08075	4.5
313.10681	1.4
341.10297	4.8
361.10739	0.9
365.13919	5.1
383.10681	0.9
383.15106	2.1
393.13449	11.3
411.14435	61.4
412.14987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.144
Annotation	Sumatrol
Peak:m/z	Relative Intensity
53.03938	3.4
56.26751	0.9
57.96155	0.9
65.03933	1.1
68.99757	1.1
69.21984	0.9
69.22282	9.8
77.03889	1.4
79.05496	15.4
81.03406	1.4
83.05041	0.9
91.05489	8.3
93.07030	1.7
94.04147	1.1
95.01382	1.4
95.04955	2.9
103.05457	3.6
105.03385	2.8
105.07026	2.5
107.04960	30.0
108.05750	3.0
109.06516	2.4
115.05471	4.9
116.06281	0.9
117.07045	6.0
119.04958	1.3
121.06517	5.2
122.03637	1.3
123.04407	1.0
124.05216	6.3
125.05980	1.9
128.06238	2.3
129.07008	2.6
131.01268	0.9
131.04913	1.3
131.08586	3.9
133.02869	2.1
133.06511	4.7
135.04414	9.2
136.05214	6.3
137.05983	2.0
139.07561	15.6
141.06967	5.0
144.05728	2.0
145.06538	7.4
147.04396	4.3
148.05223	7.0
149.02364	8.9
149.05984	3.2
151.07552	33.9
153.07047	2.2
155.06009	1.3
155.07184	2.3
155.08548	4.6
159.04437	16.4
159.08029	4.5
160.05060	0.9
161.06013	7.5
162.06763	6.0
163.03937	3.5
164.04680	1.6
165.05428	2.1
165.06860	3.5
165.09126	3.8
167.03403	4.3
167.07065	11.8
167.08443	1.4
168.05620	2.0
169.06499	6.9
170.07275	3.8
173.05984	13.5
175.04022	2.1
176.04681	3.7
177.05487	14.6
178.06219	2.6
179.07043	100.0
181.05002	2.7
183.08055	4.6
187.03912	2.8
187.07568	14.2
191.07042	43.2
192.07828	32.9
193.08597	5.2
195.06506	1.0
198.06798	5.4
199.07474	1.3
201.05490	35.9
201.09084	2.7
203.16786	1.0
205.05005	1.4
205.08620	3.8
210.53294	1.0
211.05569	1.1
211.07561	19.7
212.08160	1.4
213.09201	1.3
214.64713	0.9
215.07001	9.2
219.06534	25.4
227.06992	2.3
229.08614	28.3
237.07570	1.7
239.07089	3.3
243.67787	1.0
257.08145	5.1
279.06454	0.9
313.10770	0.9
331.09619	1.3
340.04718	1.0
341.10266	3.5
347.12537	1.8
365.13812	4.3
383.15045	1.6
393.13339	12.5
411.14417	66.9
412.14670	1.7
434.64413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1441
Annotation	Sumatrol
Peak:m/z	Relative Intensity
51.11364	0.6
53.03938	1.7
55.01872	0.6
57.57463	0.5
65.03941	0.8
68.99803	0.7
69.27449	3.3
69.27877	2.8
69.69406	0.6
71.37562	0.6
77.03931	1.1
78.91908	0.6
79.05061	0.8
79.05499	13.8
81.03432	1.2
81.07062	1.4
83.05030	0.6
91.05483	7.6
91.88996	0.7
93.07043	1.2
94.04196	1.2
95.01315	1.4
95.04971	2.6
96.05738	1.2
98.20708	1.1
103.05443	3.2
105.03425	1.7
105.04491	1.0
105.07002	2.5
107.04962	28.7
108.05746	3.4
109.02888	0.7
109.06519	2.1
110.03636	0.7
115.04761	0.7
115.05466	5.1
116.06243	0.9
117.07030	5.5
118.04193	1.3
119.04935	1.5
119.08588	0.7
121.02824	0.8
121.06515	7.0
122.03661	1.0
123.04451	1.3
123.08102	0.9
123.61581	0.6
124.05218	6.4
125.05976	1.4
128.06221	1.6
129.07030	3.2
131.04944	1.8
131.08565	3.8
131.82973	0.6
133.02905	1.0
133.06500	5.7
135.04439	6.5
135.08087	0.7
136.05202	4.4
137.05954	0.9
139.07562	16.2
141.06975	3.5
144.05681	1.8
145.06494	8.2
145.10170	0.8
147.04422	4.9
148.05191	5.5
149.02353	6.8
149.06035	3.2
150.06744	1.3
151.07553	31.7
152.06293	0.9
153.05595	0.7
153.07008	2.6
154.07753	1.6
155.04910	1.1
155.07069	2.2
155.08582	3.7
157.06453	0.9
159.03217	1.0
159.04440	15.3
159.08061	5.0
161.02235	0.6
161.05983	6.1
162.06807	5.2
163.03876	3.4
164.04710	1.5
165.05479	2.3
165.06937	2.6
165.09143	3.7
167.03412	3.6
167.07059	12.6
168.05728	2.1
169.06493	6.4
170.07275	3.2
171.08020	1.2
173.05994	10.0
175.03952	1.3
176.04695	3.6
177.05478	13.5
178.06296	2.9
179.07045	100.0
180.07257	0.8
181.04955	2.3
183.04384	0.7
183.08063	4.8
184.08781	0.7
185.05937	1.0
187.03909	2.5
187.07558	12.5
189.05458	1.4
191.07040	38.2
192.07822	30.8
193.08611	6.9
195.08070	0.9
197.06102	0.8
198.06792	4.3
199.07501	1.1
201.05482	39.7
201.09207	3.0
202.05885	0.9
203.07063	1.0
205.05075	0.8
205.08646	3.6
210.06677	0.7
211.05548	1.0
211.07549	20.1
213.09152	1.5
215.07054	11.7
219.06540	20.1
220.07202	1.5
227.07031	2.1
229.08617	28.1
237.07611	2.0
239.06992	2.3
257.08167	4.0
289.08698	0.8
293.08298	0.7
295.49307	0.6
313.10815	1.2
323.08762	0.9
335.01419	0.6
341.10278	4.4
347.13010	1.2
349.10947	1.2
355.11566	1.1
361.10529	0.7
365.14008	4.2
383.14841	1.5
393.13324	13.1
394.13165	0.6
411.14413	61.1
412.14682	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	411.1439
Annotation	Sumatrol
Peak:m/z	Relative Intensity
51.02375	0.7
53.03951	2.8
54.02285	0.4
55.01871	1.2
65.03949	1.2
66.04710	0.5
67.05495	0.8
69.03405	0.9
69.26572	3.1
69.26985	1.1
77.03914	0.9
79.05499	11.9
80.06252	0.4
81.03421	0.7
81.07055	1.3
88.20619	0.5
91.05486	5.2
92.02596	0.7
93.03427	0.6
93.07037	1.4
94.04193	1.8
95.01328	0.7
95.04975	3.6
96.05751	1.5
103.05494	2.1
103.25631	0.5
105.03409	2.8
105.04548	0.8
105.07031	3.0
107.04961	18.8
107.08624	0.7
108.05749	3.9
109.02884	0.9
109.06533	2.5
115.05446	4.2
116.06262	0.6
117.07033	4.8
118.04150	1.2
119.04921	1.3
119.08572	0.6
121.02898	1.0
121.06513	5.3
122.03656	1.7
123.04479	1.1
124.05219	8.2
125.05988	1.6
126.03086	0.6
128.06242	1.6
129.07039	2.8
131.04965	2.5
131.08565	3.8
133.02817	0.9
133.06494	5.2
135.04427	9.0
135.05482	0.4
135.08067	1.3
136.05196	3.1
137.05969	0.7
139.07545	19.1
141.07028	3.2
143.08560	0.5
144.05692	1.6
145.06488	5.7
147.04408	4.4
148.05222	3.7
149.02345	5.8
149.06013	2.9
150.06770	1.7
151.07553	19.4
152.04720	0.6
153.05585	0.8
153.06999	3.1
154.07803	1.2
155.06088	0.9
155.07063	2.8
155.08569	4.4
157.06422	0.8
159.04427	17.5
159.08057	4.3
161.05995	7.2
162.06752	6.7
163.03900	2.6
163.07547	0.7
164.04652	0.6
165.05443	1.2
165.06932	2.7
165.09108	4.1
167.03429	2.8
167.07060	15.7
168.05742	2.3
169.06465	6.8
170.07301	3.8
171.04420	1.2
171.08081	1.3
173.06003	7.7
173.09645	0.6
175.03923	1.1
176.04691	3.0
177.05470	13.1
177.09113	1.0
178.06296	2.3
179.07045	35.1
180.07434	0.8
181.04985	2.4
181.06505	1.1
182.07329	1.0
183.04449	0.8
183.08055	4.5
184.05280	0.6
184.08997	0.5
185.05986	0.9
185.09572	0.6
187.04018	2.4
187.07552	17.1
189.05429	0.8
191.07048	36.8
192.07819	43.4
193.08592	6.6
195.08099	1.1
197.06038	0.7
198.06779	4.1
199.07570	1.5
201.05484	14.8
201.09128	3.7
205.05080	0.5
205.08604	5.3
207.06522	0.6
210.06712	0.7
211.07555	20.6
212.08116	0.9
213.09126	1.2
215.07010	3.0
219.06523	13.3
219.08534	0.8
220.07294	1.8
227.07037	3.1
229.08614	34.7
230.09068	0.6
239.07016	2.8
257.08105	5.4
310.08252	0.8
313.10828	1.8
315.09903	0.5
317.07959	0.6
335.09235	0.6
341.10568	0.9
347.12915	1.1
349.10822	0.6
351.12271	0.7
362.11810	0.5
365.13937	3.1
383.15063	3.3
393.13281	3.4
396.12125	0.5
411.14417	100.0
412.14841	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	411.1442
Annotation	Cilinaphthalide B
Peak:m/z	Relative Intensity
54.13148	0.9
59.05003	2.5
70.73354	2.0
79.05505	1.9
93.07045	1.3
107.04955	2.6
135.04436	1.1
147.04404	6.2
149.02390	1.4
159.08046	1.8
160.05214	1.2
161.02361	2.1
162.03111	1.0
173.05983	2.0
176.04732	2.9
177.05580	1.0
178.06244	2.5
181.04893	1.2
191.07037	20.4
191.08749	1.1
192.07816	1.8
193.05045	2.2
195.08257	1.5
197.05898	1.5
198.06862	1.5
211.07527	1.5
213.09050	1.6
214.06204	1.9
219.06560	3.6
223.07483	1.2
224.08437	1.4
225.05522	1.3
229.08641	3.9
239.03493	1.5
239.07140	2.1
240.07774	1.4
241.08647	1.7
242.05716	2.8
249.05522	1.2
250.06415	1.3
251.07077	1.7
252.07906	3.2
253.04924	1.8
253.83061	1.0
255.10239	2.7
257.08072	7.4
264.04276	3.7
265.05072	1.2
265.08820	1.1
267.06598	4.0
268.07394	1.3
274.91806	1.1
279.06598	6.1
279.09543	1.0
283.06418	1.3
283.09448	6.0
293.04651	1.7
293.07898	1.8
295.06079	3.2
296.06955	1.5
297.07489	1.3
299.09225	1.8
307.06039	3.2
308.06885	2.7
309.07730	2.1
309.11139	1.1
311.09137	52.3
312.09464	1.5
321.07574	1.7
321.11148	1.9
322.08282	1.4
323.09329	1.3
323.12903	1.2
325.07367	1.2
325.10635	2.2
333.11221	2.4
335.09219	4.1
339.08755	4.4
347.09186	1.8
347.12991	2.1
349.10733	2.4
350.11423	1.5
351.12399	5.6
353.10214	1.6
365.10007	1.5
365.13879	12.6
379.11832	4.2
380.12628	4.3
383.14908	100.0
384.15338	3.0
393.13669	1.6
396.12302	1.5
411.14465	56.3
412.14706	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1441
Annotation	Cilinaphthalide B
Peak:m/z	Relative Intensity
50.99580	0.6
51.03165	0.7
53.33932	0.7
69.83405	1.1
69.83820	2.6
79.05446	1.7
81.07017	1.9
91.05443	1.1
91.71362	0.8
98.97550	0.9
101.14404	0.7
107.04932	1.6
107.08544	1.0
117.07016	0.9
119.08563	1.5
125.05978	1.0
128.06197	0.7
131.04904	0.9
131.08505	0.9
135.04373	2.1
147.04424	6.0
149.02194	0.8
149.09613	1.3
151.07494	2.0
159.04361	1.4
159.08026	1.5
161.02313	0.8
163.07491	1.1
165.05467	0.8
169.06526	1.3
171.08055	0.9
173.05916	2.0
175.03943	1.1
176.04619	1.9
177.05396	1.7
178.06198	1.3
179.07016	1.5
181.04922	0.9
187.07469	2.2
191.07028	19.9
192.07652	2.9
193.05008	1.5
195.07999	1.4
197.06082	1.3
198.06735	2.5
199.07628	1.0
201.05273	0.9
203.06984	1.8
207.06512	0.9
211.07468	2.5
213.05450	1.1
216.48914	0.8
219.06389	1.4
222.09375	0.7
223.07483	1.6
224.08395	1.0
225.05495	1.4
229.08540	3.7
236.04678	1.4
237.05423	0.8
239.06998	1.8
240.07935	1.5
241.08543	1.0
242.05896	1.3
249.05516	1.1
250.06209	0.8
251.06914	1.6
252.07727	2.5
255.10089	1.5
257.08130	6.1
261.08856	0.8
261.11438	0.8
263.84653	0.8
264.04022	0.9
265.08508	0.8
267.06497	1.7
269.08179	0.8
273.02460	0.7
279.06479	5.1
279.09723	1.5
280.07245	1.2
281.04184	0.7
281.08197	0.8
283.06439	0.8
283.09659	2.8
289.08490	0.9
293.04483	1.0
293.07828	1.3
295.05981	2.0
297.07614	2.2
303.06549	1.9
303.09875	1.0
307.06000	2.8
307.09384	1.4
308.06744	1.9
309.07364	1.5
309.14709	1.3
310.08432	0.8
311.09140	36.7
312.09842	1.6
319.09531	1.3
321.11227	2.0
323.09125	1.0
331.09952	1.0
333.11194	2.8
335.09180	6.5
339.08658	7.4
347.09003	2.4
347.12680	1.5
349.10629	3.1
350.11499	1.3
351.12079	2.1
363.08487	1.0
365.10516	1.2
365.13864	27.0
379.11804	2.7
380.12561	1.9
383.14890	100.0
384.15216	3.0
393.13263	1.4
411.14395	45.2
412.14890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1441
Annotation	Sumatrol
Peak:m/z	Relative Intensity
53.67093	2.2
55.85397	1.9
68.99782	2.7
69.21203	21.7
79.05497	4.4
81.07066	3.6
91.05459	9.9
93.07025	3.2
105.07034	3.1
106.04139	2.6
107.04960	4.6
108.05710	2.0
109.06472	3.0
119.04943	3.2
119.08613	2.3
121.02872	3.5
121.06499	16.8
129.06973	2.5
135.04437	7.0
136.05196	4.3
136.56915	1.9
139.07542	3.8
147.04414	9.5
147.08098	3.7
148.05180	5.5
149.02371	5.9
149.06012	21.9
150.06754	2.8
151.07535	20.8
153.05421	2.6
159.04416	3.9
161.02362	9.0
161.05980	6.8
163.03882	3.3
163.07570	4.3
164.04642	10.7
165.29218	2.6
166.06297	11.2
167.07014	10.8
168.04189	30.3
169.06479	2.6
172.05260	2.0
175.03880	5.3
176.04668	4.7
177.05473	41.1
178.06245	24.7
179.07043	26.0
181.08629	7.6
182.07230	1.9
183.06541	7.2
183.08035	2.4
185.06006	3.8
187.03969	5.3
187.07576	2.1
189.09091	4.5
191.07050	46.2
192.07806	68.9
201.05418	2.4
201.09116	3.8
203.07047	100.0
207.06552	14.4
209.08109	35.8
211.07639	4.6
213.09082	5.2
219.06535	2.5
227.06987	4.7
229.08609	13.8
235.05986	7.7
243.10217	8.9
277.08182	2.2
293.08133	3.5
309.10913	3.4
323.12817	8.0
339.15982	5.8
349.10568	4.4
351.12082	3.2
363.08560	2.7
365.09854	2.9
365.13995	4.1
367.15454	7.5
379.11755	7.9
380.12143	2.6
381.13477	6.4
383.14996	3.3
393.13446	6.5
411.14362	67.3
412.14694	3.4
414.46976	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	411.1441
Annotation	beta-TOXICAROL
Peak:m/z	Relative Intensity
53.03947	0.7
53.20185	0.4
54.73890	0.3
56.72823	0.4
68.99785	0.7
69.07078	0.5
70.99960	0.5
71.55909	0.4
79.05501	2.2
81.07061	2.0
84.47717	0.4
91.05489	2.7
93.07036	1.6
94.04151	0.8
95.04996	0.7
105.03390	0.5
105.07021	0.8
107.04406	0.3
107.04978	2.9
107.08589	0.6
108.05746	2.2
109.06527	3.1
114.63718	0.4
115.05435	0.5
117.07020	0.5
118.04169	0.6
119.04962	1.1
121.02896	0.5
121.06517	5.4
122.03685	0.6
123.08099	0.7
124.05202	3.1
125.05966	0.7
131.08514	0.5
133.06537	2.1
135.04440	2.9
135.08043	0.9
136.05194	4.3
137.02386	0.4
137.05867	0.5
139.07562	8.9
145.06458	0.7
145.10115	0.5
147.04425	1.6
148.05200	5.0
149.02386	0.7
149.06038	1.8
150.06793	0.5
151.07550	29.1
153.05472	0.8
155.07071	1.3
155.08578	0.8
158.07277	0.6
159.04440	0.6
159.08047	0.8
161.05954	3.1
162.06747	1.6
163.03969	1.4
163.07539	2.4
164.04680	0.4
165.05373	0.7
165.06795	0.4
165.09145	1.5
167.07065	6.5
173.05963	0.5
175.03940	1.4
176.04729	1.2
177.01889	1.5
177.05482	12.9
178.06229	0.9
179.07045	47.4
180.07423	0.6
181.04984	2.2
183.08089	0.9
185.06044	1.4
187.07523	1.2
189.05458	1.9
190.06088	0.4
191.07043	21.8
192.07817	30.4
193.08540	2.0
199.07408	0.6
200.04747	0.7
201.05505	0.9
201.09140	1.3
203.03314	2.2
203.07094	1.9
204.04155	0.5
204.07768	0.5
205.05034	0.7
205.08589	4.0
207.06537	0.6
211.07541	6.5
213.05353	0.6
214.06259	4.9
215.06996	0.8
217.05000	0.7
219.06523	11.5
219.08545	0.7
220.07329	1.9
227.07114	0.5
229.08607	23.5
233.08038	2.9
239.07106	1.0
241.08730	0.4
242.05649	0.6
243.06345	0.5
255.06541	0.8
257.08093	11.6
257.10568	0.8
307.09692	0.5
319.06067	0.7
319.09583	0.9
323.12466	0.4
333.11533	0.4
335.09229	1.3
337.10559	0.5
347.09180	1.0
349.10596	1.0
361.10715	0.5
362.11411	0.9
363.08661	7.6
365.10043	0.7
365.14020	1.5
377.10220	0.8
378.11047	2.6
381.09436	0.7
383.14902	2.8
393.13354	20.9
394.13580	0.6
411.14398	100.0
412.14676	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	411.144
Annotation	Sumatrol
Peak:m/z	Relative Intensity
63.14075	2.0
65.03925	2.6
69.82364	12.8
77.72132	2.2
79.05481	5.3
81.07055	3.4
91.05484	11.5
93.07063	3.4
97.87309	2.3
98.20776	2.5
103.05485	3.2
105.07042	2.7
106.09973	2.0
107.04946	10.2
108.05686	2.2
109.06532	3.3
115.05399	2.6
119.04926	2.4
121.02871	2.2
121.06528	19.5
123.04451	3.7
125.06003	2.9
128.06198	2.1
128.51050	2.8
129.07079	2.6
131.04926	4.6
135.04401	5.8
136.05211	3.9
139.07552	3.7
145.06500	3.4
147.03419	2.9
147.04413	16.1
147.07999	2.9
148.05165	8.8
149.02318	3.8
149.05988	12.2
151.07552	33.8
157.06413	3.1
159.08076	2.4
161.02324	4.7
161.05984	6.1
163.03923	3.9
163.07533	3.4
164.04652	13.3
165.05379	2.3
167.03362	2.5
167.07072	14.0
167.08344	2.9
169.06459	2.5
175.03877	5.6
176.04680	5.3
177.05470	26.6
179.07050	29.0
181.04916	5.5
181.08597	3.0
182.07257	2.4
185.06007	6.2
187.03990	3.4
189.09126	5.0
191.07031	76.9
192.07814	100.0
193.04973	2.5
199.07559	5.2
201.09090	8.9
203.07050	54.9
207.06503	14.0
209.08051	16.0
211.07571	4.4
213.09161	6.7
227.06993	4.2
229.08583	17.0
241.08611	2.9
243.10190	14.3
249.09024	2.7
257.08112	5.2
261.08945	3.3
265.08694	2.5
269.08118	3.8
277.08322	3.2
281.08200	2.9
281.11676	5.0
291.06491	2.5
293.08051	6.8
305.11591	3.3
308.10388	4.0
311.09265	3.0
321.11157	6.7
323.12686	12.0
333.10904	3.2
339.15982	6.0
347.09180	4.7
349.10641	15.0
351.12292	2.7
365.13812	4.3
367.15384	14.2
379.11765	3.9
381.13284	4.8
383.14981	3.0
383.94064	2.4
393.13513	5.1
393.20602	3.1
396.12048	3.0
411.14401	48.5
411.20093	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	411.144
Annotation	(-)-13alpha-Hydroxydeguelin
Peak:m/z	Relative Intensity
65.06067	0.6
67.27274	0.6
70.59963	1.1
70.60291	0.7
79.05482	0.8
91.05471	1.0
94.04185	1.7
95.05008	1.0
107.04975	1.1
122.03656	3.7
123.04470	3.7
124.05242	1.1
125.06005	1.1
131.04898	0.7
135.04419	0.9
137.05896	0.7
139.07530	3.0
140.04741	0.9
147.04398	0.8
148.28529	0.7
150.03091	3.2
151.07532	2.5
153.05447	1.0
154.06366	0.6
155.07027	2.6
155.08493	0.9
159.04436	1.1
161.02382	0.7
163.45399	0.6
165.05499	14.6
167.07066	6.5
173.05975	1.4
175.03833	0.8
178.02672	1.1
179.07040	1.4
183.06541	6.1
183.08057	1.2
185.05923	1.1
185.08710	0.7
187.03882	0.7
189.09219	0.9
191.07077	4.9
192.07770	0.8
193.04980	100.0
194.05391	1.4
195.06638	3.2
196.86269	0.6
199.07545	0.8
201.05492	0.7
201.09131	2.2
203.07045	2.5
205.08658	0.6
211.06018	38.8
217.04993	2.5
229.08606	8.1
235.05981	0.7
239.07181	1.0
245.48447	0.7
253.08585	0.9
257.08121	4.8
303.06784	1.1
307.06024	0.7
307.09744	0.8
319.09656	0.8
321.11148	1.0
333.11191	1.9
335.09012	4.5
347.09100	1.5
347.12814	1.3
349.10803	2.3
350.11349	0.8
363.08624	0.8
365.09192	0.8
365.13876	30.9
393.13248	4.6
411.14407	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1438
Annotation	Sumatrol
Peak:m/z	Relative Intensity
51.59396	1.3
53.03937	1.7
58.66451	1.4
65.03943	2.3
65.53809	1.3
69.55262	8.8
78.04701	1.2
79.05470	3.2
81.07053	5.0
91.05479	7.4
93.07070	2.0
95.01331	1.6
99.12708	1.3
103.05488	2.2
105.07047	2.4
106.04160	1.6
107.04941	3.7
109.06529	2.9
111.56439	1.2
115.05470	1.6
119.04898	2.4
121.06509	16.8
123.04443	1.3
128.06181	1.6
129.07021	2.2
131.04913	2.2
132.05725	1.8
133.02826	2.1
134.03632	1.7
135.04414	3.2
136.05196	4.8
138.06729	2.2
139.07535	4.6
145.06456	1.9
147.04411	12.3
147.08063	4.9
148.05186	6.9
149.02356	5.1
149.05997	10.4
151.03871	1.4
151.07555	27.1
153.05440	2.3
155.08577	2.4
159.04434	1.6
159.08101	1.8
160.05240	1.8
161.02365	5.1
161.05975	6.0
163.03906	3.2
163.07547	3.7
164.04736	6.9
167.07100	9.9
173.06023	2.7
173.09676	1.5
175.03926	2.7
175.07564	2.3
175.46718	1.5
176.04674	3.4
177.05467	32.5
178.06181	3.0
179.07045	19.2
181.05000	2.0
181.08618	3.0
185.06033	3.3
187.03928	2.4
189.09084	3.6
191.07043	81.2
192.07817	100.0
195.08093	2.4
199.07570	3.2
201.05405	1.7
201.09117	7.5
203.07042	56.2
205.04968	3.3
207.06502	13.6
209.08070	10.5
211.07591	3.8
213.09140	7.9
227.06996	4.4
229.08620	12.7
239.10886	2.0
241.08510	2.0
243.10152	5.0
261.09064	3.0
263.06888	2.3
265.08661	2.1
277.08609	2.8
278.09177	1.8
279.10229	2.9
281.08160	2.0
281.11661	2.4
291.06476	2.1
291.10223	2.5
292.10870	1.4
293.08203	3.3
303.10165	2.1
305.07916	1.8
305.11398	1.8
307.09622	1.5
308.10391	1.7
309.07629	1.8
309.11057	2.1
319.09714	2.0
321.11212	5.7
323.12674	12.6
333.11166	2.4
337.10782	3.4
339.16071	8.2
347.09103	2.9
349.10547	7.4
361.10693	1.5
367.15573	12.3
379.11703	5.7
381.13376	3.6
393.13614	1.9
411.14410	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.144
Annotation	Cilinaphthalide B
Peak:m/z	Relative Intensity
56.96571	3.2
65.03943	2.7
70.11199	1.5
70.94695	1.8
70.95033	3.1
77.03935	1.6
79.05494	3.4
81.07041	2.9
82.48963	1.5
91.05485	83.9
93.07053	2.1
98.97586	14.8
105.03372	1.7
105.07036	1.9
107.04946	4.0
107.08598	1.8
108.05733	1.8
109.06505	2.9
116.98640	8.1
119.04968	2.9
121.06502	17.6
123.11695	2.1
129.07040	1.9
131.04951	3.3
133.02863	2.4
135.04454	4.2
136.05217	3.0
139.07555	4.4
141.06999	3.5
147.04408	13.8
148.05194	6.1
149.02383	3.3
149.05983	7.1
151.03928	2.0
151.07559	21.2
153.12775	2.0
155.08589	3.5
159.04416	3.4
159.08138	1.8
161.02386	5.3
161.06004	5.2
163.03908	4.0
163.07576	4.5
164.04710	6.8
165.06978	1.9
167.07053	11.4
167.08376	2.0
173.06081	2.7
175.03929	18.2
175.07465	1.8
176.04703	3.6
177.05484	21.7
178.07857	1.9
179.07043	24.0
179.08563	6.8
181.04979	2.5
182.07254	1.6
183.08029	2.2
185.06090	2.3
185.09700	3.2
187.03932	3.6
189.09064	3.5
191.07030	62.4
192.07814	100.0
193.08246	1.7
195.08090	2.4
197.09694	3.1
199.07518	6.2
201.09143	8.1
203.07030	40.2
205.04836	1.7
207.06529	13.8
207.07893	2.2
209.08125	8.7
210.06786	2.5
211.07559	7.2
213.09096	5.9
215.06979	2.0
225.09064	14.1
227.07054	3.8
229.08598	14.9
235.07570	6.6
241.08623	3.7
243.10237	4.9
249.09181	2.0
251.06897	2.7
253.08617	94.4
255.10190	5.4
257.08124	2.5
261.09088	3.3
271.09573	2.7
279.09811	2.1
280.07629	1.6
281.11639	3.1
293.08215	3.6
293.11661	3.4
305.11716	1.7
307.13354	2.8
308.10352	1.8
309.07455	1.7
311.12744	2.5
319.13242	2.0
321.11267	6.5
323.12766	10.9
333.11267	2.6
336.13644	2.6
339.15784	7.7
343.04834	2.1
347.09268	3.7
349.10663	6.2
351.12109	2.5
361.10797	1.9
365.13974	2.3
367.15512	12.2
375.19525	4.8
381.13278	5.7
393.20605	44.9
411.07538	23.2
411.14337	39.8
411.20221	3.2
429.08545	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	411.1439
Annotation	Sumatrol
Peak:m/z	Relative Intensity
53.03954	1.0
55.59144	0.9
55.94242	0.9
59.04982	3.4
69.52006	6.6
79.05482	3.9
91.05475	2.8
93.07026	1.1
103.05471	1.1
107.04964	2.1
108.05715	3.1
109.06525	3.0
121.06501	6.8
124.05201	4.1
128.06212	1.5
131.04948	1.1
133.06482	3.0
135.04402	4.7
136.05229	1.9
139.07547	15.7
143.04926	2.6
147.04391	2.9
148.05206	3.6
149.02328	2.4
149.05994	4.4
151.07536	17.7
155.07028	2.2
159.04425	11.0
161.02335	2.5
161.05968	3.5
162.06732	3.7
163.03912	1.5
165.06686	1.3
165.09050	2.1
167.07051	13.0
171.04367	3.3
173.06026	1.7
176.04686	3.2
177.05472	19.8
178.06256	3.4
179.07042	19.5
181.04878	1.3
186.06786	2.2
187.07573	6.6
191.03418	3.4
191.07024	45.9
191.08783	2.3
192.07816	100.0
193.08609	5.4
199.03899	2.5
199.07526	2.6
201.09138	2.5
203.07072	5.2
205.05000	1.0
205.08617	8.1
207.06438	1.6
209.08145	2.9
211.07596	3.2
214.06248	12.8
219.06519	28.9
220.07301	4.7
222.12486	1.0
224.36324	1.1
227.05020	0.9
227.07016	23.6
229.08597	85.1
230.08958	2.4
245.08192	1.2
257.08051	6.2
260.22003	1.2
307.09793	1.5
335.09262	1.8
365.13867	2.5
383.14905	3.0
386.03046	1.1
393.13007	6.1
411.14401	80.1
412.14453	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	411.1442
Annotation	(-)-13alpha-Hydroxydeguelin
Peak:m/z	Relative Intensity
53.03951	0.7
63.12646	0.7
63.97820	0.7
71.16520	1.7
81.07063	1.4
91.05473	2.5
92.44529	0.7
93.07066	1.0
95.01299	0.9
95.04954	0.7
105.07060	0.9
107.04952	1.5
109.06477	1.9
115.05449	1.2
117.07011	1.1
118.62679	0.7
119.04942	1.6
119.08607	0.7
121.06516	1.7
125.05994	1.8
126.21574	0.7
128.06215	3.3
132.05757	1.5
132.54092	0.8
135.04430	1.7
139.03990	0.7
143.08527	1.6
145.87228	0.7
147.04414	3.0
147.08041	1.4
148.05168	0.8
149.02376	1.1
149.05995	4.0
151.07539	3.8
153.05458	2.1
153.06851	1.0
154.06277	1.1
159.04396	1.2
159.08028	1.0
160.05202	6.3
161.02306	2.8
161.05963	3.1
163.03940	1.6
165.01852	1.0
165.05473	2.7
166.02237	0.7
167.07042	1.0
169.06511	1.1
171.08073	1.9
173.05928	1.5
175.03897	2.3
175.07497	1.6
176.04691	1.0
177.05446	4.1
178.06169	0.9
179.07072	5.6
180.07802	1.4
181.04979	1.3
181.06483	0.9
181.08856	0.7
182.07217	0.9
184.05222	11.9
185.05949	3.0
187.03911	9.7
187.07452	1.6
189.09097	0.9
191.07027	13.4
192.07706	1.8
193.05006	4.2
195.08167	0.9
199.07504	3.5
200.08398	0.8
201.05391	1.0
203.07033	23.4
205.04935	1.4
207.06519	2.3
208.07251	1.1
209.06001	1.0
209.07959	0.9
213.05473	1.4
213.09012	1.2
215.07033	1.2
219.06537	2.4
221.04352	0.9
223.07539	1.2
227.07037	100.0
228.07463	2.6
229.08511	1.9
236.06789	1.9
239.06805	0.8
257.08075	3.0
263.07089	3.1
275.07040	1.3
275.10739	1.2
277.08386	1.3
278.09323	1.1
279.09970	0.8
283.09714	2.3
291.06577	2.3
291.09937	1.1
293.08319	1.7
293.11661	1.6
303.06802	1.5
303.10080	1.8
305.07938	1.2
306.08896	1.8
307.06308	1.2
307.09616	1.7
311.09024	1.2
317.08148	1.0
318.08984	2.0
319.09576	3.0
321.11261	4.6
323.09100	1.6
325.14270	5.9
333.07684	1.7
333.11038	4.1
335.09006	1.9
337.10678	2.0
337.14307	1.1
339.08707	2.4
346.08429	3.1
347.09113	3.3
347.12976	1.1
349.10681	3.9
350.11472	1.1
351.08664	1.7
353.13699	4.1
361.10623	5.8
362.11465	1.9
363.12418	1.5
365.10120	1.7
365.14001	8.5
381.13361	64.9
382.13690	1.4
383.14816	6.4
393.13275	16.6
411.09222	1.2
411.14438	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1436
Annotation	Sumatrol
Peak:m/z	Relative Intensity
52.13630	0.7
53.03935	1.8
53.08977	0.8
53.70770	0.7
55.01865	1.5
66.04741	1.0
69.88297	2.7
71.66253	0.6
77.03918	1.2
79.05495	10.9
81.03420	1.2
91.05489	5.7
93.07033	1.4
94.04167	1.6
95.04986	2.0
103.05463	1.6
105.03391	2.2
105.07039	2.4
107.04279	1.5
107.04958	19.5
108.05729	3.1
108.39227	0.8
109.02884	1.3
109.06524	2.7
115.05446	4.4
117.07024	3.6
118.04196	1.0
119.04935	1.8
121.06485	4.8
122.03615	1.0
123.04421	0.8
124.05205	6.6
125.06007	1.3
128.06221	1.5
129.06999	2.3
131.04926	2.5
131.08591	3.7
133.02803	1.4
133.06526	5.7
135.04422	8.9
135.08047	0.9
135.96715	0.7
136.05223	4.4
137.05969	1.3
139.07550	21.1
141.07002	4.3
144.05672	2.2
145.06491	6.0
147.04424	4.5
148.05208	3.9
149.02336	6.4
149.06003	3.2
150.06779	1.4
151.07536	19.9
152.04724	1.1
152.06328	0.8
153.05635	0.6
153.06982	3.2
154.07770	1.4
154.11327	0.7
155.07033	2.9
155.08540	2.5
159.04405	17.1
159.08060	4.1
161.05972	6.0
162.06758	6.1
163.03957	2.6
163.07614	0.9
164.04671	0.9
165.06784	2.3
165.09111	4.1
167.03389	3.0
167.07048	15.7
167.08455	1.5
168.05701	1.9
169.06485	8.2
170.07251	4.0
171.04404	1.1
171.08078	1.3
173.05998	6.9
175.03888	1.3
176.04707	2.9
177.05467	13.5
178.06226	2.4
179.07042	37.2
181.04979	2.8
181.06442	1.1
183.06688	0.7
183.08037	4.5
187.03935	2.2
187.07538	17.3
187.09135	1.1
189.05533	0.8
191.07037	33.1
191.08794	1.6
192.07822	46.0
193.08606	7.9
195.06537	1.1
195.08113	1.0
198.06769	3.9
199.07610	2.3
201.05490	16.6
201.09073	4.1
205.08598	5.2
211.07547	20.7
213.09114	1.5
215.07025	2.3
219.06516	12.9
220.07283	1.5
227.06982	4.1
229.08600	38.0
231.10286	1.1
239.07043	2.9
257.08179	5.9
313.10736	2.1
341.10181	1.6
347.12686	1.3
365.14105	3.7
383.14865	2.9
393.13376	3.1
411.14386	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	411.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01887	1.0
55.25643	0.7
63.23697	0.7
68.99775	1.0
69.89427	4.0
79.05492	4.6
81.07076	4.2
88.41305	0.9
91.05486	3.1
93.07070	2.0
95.04988	1.7
105.04515	0.8
105.07046	2.5
107.04962	5.0
108.05735	2.3
109.06532	4.0
118.04168	1.4
119.04936	1.6
121.02895	0.9
121.06535	6.5
123.04321	0.7
124.05220	5.9
125.05985	1.1
128.06262	1.1
131.08627	1.0
133.06500	4.0
135.04445	3.2
135.08090	1.0
136.05215	4.4
137.05952	1.1
139.07573	12.1
145.06512	2.1
147.04428	3.1
148.05176	4.3
149.02325	1.1
149.05969	2.9
151.07562	27.5
152.07918	0.9
153.05444	1.4
155.07042	2.0
159.04474	2.2
159.08084	1.1
161.06026	3.6
162.06801	3.2
163.03951	1.8
163.07555	4.5
165.01898	1.2
165.06671	0.9
165.09113	2.1
167.07056	8.8
173.06021	1.5
175.03931	1.3
176.04695	1.8
177.01877	2.2
177.05482	12.0
178.06229	2.9
179.07050	51.3
180.07367	0.9
181.04971	1.7
183.08022	2.2
187.04086	0.8
187.07599	2.1
189.05519	2.3
191.03465	1.4
191.07048	26.5
192.07828	37.9
193.04979	0.8
193.08571	3.0
195.06487	0.9
199.07654	1.0
200.04831	0.8
201.05524	1.2
201.09166	1.7
203.03357	0.8
203.07047	3.2
204.07768	0.9
205.08603	5.6
211.07529	9.6
213.05511	1.0
214.06285	6.6
215.07146	0.9
219.06540	12.7
220.07256	1.4
227.07066	1.2
229.08601	24.9
233.08075	2.7
239.07018	1.4
242.05852	0.8
245.08228	1.4
257.08118	10.5
265.30020	0.9
271.06180	0.9
293.08133	1.0
309.92361	0.8
319.09775	1.3
323.12906	0.9
335.09204	1.4
349.10748	1.4
351.12280	1.0
361.10596	1.2
362.11639	1.2
363.08710	1.2
365.14008	2.2
378.11057	1.1
379.11411	1.2
383.14792	5.1
393.13361	28.9
394.13730	0.9
411.14426	100.0
412.14868	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	411.1441
Annotation	Sumatrol
Peak:m/z	Relative Intensity
51.80581	1.8
55.05493	2.3
61.78929	1.8
71.25281	1.7
71.31429	3.6
72.35822	1.8
79.05505	6.7
81.03416	3.5
81.07054	5.9
91.05487	10.0
93.07047	4.7
95.08598	4.5
103.05455	3.9
105.03387	1.9
105.07044	3.7
105.38697	1.6
107.04963	3.8
107.08619	2.3
107.39018	2.1
108.05738	3.0
109.06496	3.6
110.52361	1.7
119.04961	2.6
119.08558	3.1
121.06528	20.1
123.04390	2.0
131.04945	3.1
133.10185	3.2
134.03638	1.8
135.04456	4.0
136.05199	3.9
137.05994	2.4
139.07593	2.9
147.04427	13.9
147.08099	3.5
148.05205	6.5
149.02428	4.8
149.05952	13.4
151.03864	3.3
151.07547	23.6
155.08730	2.2
161.02354	5.3
161.06018	6.0
163.03929	4.1
163.07565	5.5
164.04721	7.9
167.07065	12.1
175.03989	3.3
175.07520	3.0
176.04700	3.4
177.05490	30.8
179.07027	19.2
181.05006	3.0
181.08646	2.7
183.08099	2.0
185.06003	4.8
187.03796	2.1
189.09099	3.3
191.07043	63.9
191.08798	3.4
192.07814	100.0
193.08310	1.8
194.05885	2.0
199.07469	2.1
201.09143	7.3
203.03410	5.6
203.07045	70.1
205.05011	3.6
207.06537	17.8
209.08092	16.1
211.07553	4.6
213.09157	8.6
215.07138	2.3
227.07019	6.4
229.08563	11.9
243.10266	4.0
248.08044	2.1
257.08102	3.4
261.09357	1.9
273.12827	2.2
275.06940	2.5
277.08698	3.6
281.08240	2.4
281.11499	2.3
291.10110	2.9
293.08105	5.8
293.11386	2.2
303.06577	3.8
305.11600	2.6
309.11319	2.3
318.08893	3.5
319.09622	3.5
321.11258	7.3
323.12888	10.5
333.11215	4.4
337.10733	2.2
339.15976	9.7
347.09207	4.3
349.10550	9.0
351.12311	4.2
362.11713	3.0
367.15497	14.6
379.11743	9.4
381.13397	5.3
393.13556	5.5
411.14484	50.5
415.69696	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	411.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.0
55.01875	2.0
55.05514	2.0
57.03442	1.3
61.02908	0.8
62.07736	0.6
67.05503	0.9
69.03441	4.7
69.07074	1.1
70.06600	2.4
71.04996	1.5
71.55657	0.6
73.02918	1.1
79.05508	1.1
81.03413	4.2
81.07071	1.8
83.08636	2.1
84.04494	0.9
85.02914	7.7
86.09686	0.6
87.00843	2.2
91.05504	1.3
93.07069	1.2
95.04978	4.0
95.08611	1.1
97.02905	5.9
97.06531	0.5
98.97578	3.7
99.04463	2.0
103.04003	1.0
103.05460	5.4
105.01889	1.8
105.07075	1.4
107.04933	0.7
107.08631	1.6
109.02901	2.5
109.06480	0.8
109.10172	0.7
110.97573	0.6
115.05499	0.9
116.98618	0.6
117.07076	1.0
119.05010	0.7
119.08604	1.5
120.08146	2.7
121.06538	0.8
121.10188	0.8
127.03915	3.8
129.01860	0.8
131.04945	10.2
131.08597	1.2
133.05031	0.9
133.06450	0.6
133.10181	0.7
136.07610	1.0
137.06007	0.8
141.06979	0.7
143.19435	0.6
145.05032	0.9
145.06552	2.2
147.11784	0.8
149.06047	0.7
153.09195	0.7
157.06516	0.7
158.99716	0.9
159.02953	1.5
160.05238	2.2
161.06073	0.7
163.07524	3.6
173.06070	2.2
173.13301	0.8
175.07567	14.2
175.08992	0.9
177.09111	1.4
177.16428	0.8
179.06989	0.5
183.08144	0.6
185.04108	0.9
185.06125	0.9
187.07523	1.3
189.04053	1.2
189.09210	1.5
191.07097	1.7
192.07870	1.3
195.17546	0.7
199.07599	0.6
201.00722	0.7
201.09175	0.6
203.05336	1.3
203.07085	0.7
205.08664	2.3
211.07658	0.8
213.09093	0.6
213.18593	1.4
214.08473	0.6
217.08763	1.2
219.01909	0.9
229.08723	2.5
231.05095	0.7
243.10287	0.8
248.10095	0.8
253.08699	1.2
266.12122	0.6
271.09662	3.5
289.11002	1.3
291.04147	0.6
319.10785	1.8
327.07819	1.0
337.10135	0.6
365.09387	1.3
375.10873	1.5
393.08954	2.1
411.20087	100.0
412.20132	1.2
433.14203	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	410.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.05511	5.8
56.02141	0.7
56.05041	1.0
57.03428	3.0
61.02922	1.5
61.85399	0.8
68.70590	0.6
69.03429	10.8
70.06600	0.9
70.61903	0.7
70.81277	2.2
71.04991	5.0
72.04498	1.0
73.02905	2.4
73.06556	13.5
81.03427	6.4
82.06579	3.6
83.04974	3.2
84.08140	9.9
85.02906	40.6
85.06531	7.9
85.08929	1.6
86.09711	0.9
87.04492	1.2
89.06035	1.0
89.30838	0.7
96.08118	2.3
97.02905	7.5
97.06553	0.8
98.09691	13.2
99.04460	8.3
100.07634	0.8
101.06032	2.1
102.09193	9.6
103.03913	0.8
108.08121	2.8
109.02867	3.5
111.04451	4.0
113.06001	2.4
113.65941	0.8
116.10731	5.2
126.09155	23.8
127.03925	6.3
127.22890	0.7
131.07027	5.5
136.07599	1.1
144.10207	27.8
145.04991	2.9
158.11777	19.0
162.05516	13.3
176.12836	8.0
228.12267	2.5
246.13376	1.2
288.14432	5.8
309.78223	0.8
320.17044	8.3
336.20071	1.1
360.20129	1.1
376.72668	0.8
378.21185	5.2
410.23877	100.0
411.09073	1.2
411.24289	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.05511	25.6
57.07067	11.2
67.05517	34.8
69.07072	71.5
71.08623	4.3
71.39722	3.5
72.60716	2.4
79.05505	15.8
81.07062	96.0
83.08624	20.4
88.50175	2.8
91.05466	14.6
93.07053	32.0
95.08614	88.2
97.10184	10.6
105.07034	28.7
105.31739	2.4
107.08607	39.8
109.10168	68.5
111.11710	6.2
119.08585	43.0
121.10161	40.3
123.11728	32.1
125.13288	3.2
131.08604	10.9
133.10138	30.4
135.11678	27.5
137.13290	20.6
143.08575	3.2
144.09410	3.0
145.10088	17.5
147.11703	23.8
149.13290	22.4
157.10162	4.6
159.11688	28.8
161.13240	24.7
163.14809	14.3
171.11667	5.5
173.13261	22.0
175.14839	16.8
177.16435	9.7
185.13322	4.6
187.14847	13.9
189.16441	9.9
191.07127	3.4
191.17892	6.3
199.14810	4.1
201.16428	11.6
203.17986	10.6
205.19534	2.8
212.73387	3.0
213.16426	6.6
215.17964	13.1
217.19525	7.9
228.18550	2.7
228.71298	2.6
229.19492	21.3
231.21098	7.8
243.21083	3.9
245.22636	3.8
257.22702	8.1
259.24329	4.0
271.24234	8.1
273.25851	3.7
285.08942	2.8
285.25739	7.1
299.27255	4.8
309.25821	3.4
325.28964	4.5
327.30438	9.1
331.02084	2.7
339.30206	3.2
353.32166	4.3
381.13193	5.0
409.12854	5.1
409.38345	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	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.58500	3.5
55.05508	21.1
55.56760	3.5
57.07070	7.3
59.77353	3.7
64.13123	3.1
67.05498	27.2
69.07069	60.9
69.57602	3.3
69.83800	5.0
69.84210	14.1
71.08607	3.2
77.59657	3.4
79.05482	14.6
81.06581	4.8
81.07059	100.0
83.08617	30.5
91.05479	14.4
93.07037	31.6
95.08035	6.1
95.08611	71.7
97.10191	6.7
98.81628	3.6
105.07039	26.6
107.08601	37.4
109.10155	60.1
111.11700	6.4
119.08588	28.0
121.10162	32.4
123.11730	37.4
131.08554	11.5
133.10121	19.5
135.11676	25.4
137.13295	21.8
137.14177	4.3
145.10124	14.8
147.11687	26.3
149.13264	29.0
151.03883	3.5
151.14777	4.6
152.11049	3.8
159.11696	12.1
161.13245	14.7
163.14842	10.2
173.13280	8.9
175.14801	14.0
177.16396	12.3
185.13251	4.1
187.14868	7.5
189.16399	14.0
191.06940	4.3
191.17941	7.6
199.14763	3.4
201.16440	8.5
203.17928	17.3
207.06522	15.4
215.17944	9.6
217.19492	6.1
229.19479	10.9
231.21115	11.7
243.21007	7.8
257.22690	8.1
259.24246	3.6
271.24197	5.2
285.25778	11.0
381.13269	10.6
409.12955	9.5
409.38550	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.383
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
50.49500	2.4
52.23698	2.0
55.05516	22.7
57.07069	11.0
60.20761	2.6
67.05511	29.4
67.19543	2.3
69.06721	3.6
69.07073	58.5
69.10154	2.4
69.39891	2.7
70.75197	5.1
70.75526	2.9
71.08631	5.0
72.06743	1.9
79.05515	16.2
81.07062	86.3
83.08620	21.4
86.66351	2.4
88.91764	2.1
91.05482	9.5
93.07050	30.2
95.08614	83.1
97.10162	7.9
105.07030	29.6
107.08593	42.8
109.10165	53.4
111.11712	7.4
117.07010	3.3
119.08585	36.0
121.10161	28.2
123.11720	34.0
127.88072	2.3
131.08606	12.2
133.10127	29.1
135.11711	27.1
137.13255	17.9
145.10118	20.7
147.11696	22.6
149.13268	22.6
151.14812	6.1
157.10136	3.9
159.11682	23.9
160.72891	2.7
161.13261	19.1
163.14864	14.9
171.11626	6.6
173.13297	17.0
175.14810	13.7
175.16125	2.5
177.16356	9.8
185.13115	3.3
187.14796	12.4
189.16447	12.0
191.17957	8.6
199.14807	5.4
201.16437	11.7
203.17964	12.6
205.19479	2.7
213.16315	6.3
215.18027	11.0
217.19522	5.8
229.19574	9.3
231.21049	5.1
243.21129	6.3
245.22565	2.9
255.20978	4.1
257.22775	10.9
259.24298	8.5
269.22659	2.9
271.24228	8.0
273.25659	3.3
285.25888	4.6
297.25784	4.6
299.27386	5.4
325.29239	4.4
327.30463	7.2
339.30496	3.2
343.76715	2.6
353.32230	4.7
367.33630	3.7
409.38306	100.0
410.38651	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.5
53.03939	5.3
55.01874	3.6
55.05511	14.9
57.07072	4.4
59.04999	4.1
59.97802	2.4
65.03959	2.6
67.05502	20.0
67.48539	2.1
69.03420	7.5
69.07079	13.3
71.04977	2.4
75.93335	2.4
79.05495	21.2
81.07063	45.1
83.04976	4.0
91.05489	54.2
93.07054	51.9
95.04977	54.6
95.08618	27.0
97.06539	8.2
103.05466	2.6
105.03434	3.6
105.07037	100.0
107.04935	4.5
107.08590	28.9
108.05759	2.8
109.06516	14.3
109.10155	24.7
109.95860	2.3
111.08132	4.0
115.05492	6.1
117.07014	12.9
119.04947	3.7
119.08590	70.4
121.06503	14.7
121.10159	16.5
123.08062	18.9
125.09663	2.4
128.06206	7.7
129.06995	10.0
130.07741	3.0
131.08559	23.2
133.06497	5.8
133.10152	22.2
135.08041	9.7
135.11699	5.7
137.09605	7.1
141.06984	7.1
142.07819	13.4
143.08568	21.1
144.09312	3.5
145.10133	37.2
147.08038	16.8
147.11697	38.8
149.02345	7.5
149.09622	9.7
151.07562	20.6
153.06995	3.0
154.07661	2.5
155.08574	5.9
156.09335	5.9
157.10146	25.9
158.10829	3.0
159.08072	5.2
159.11690	14.8
161.09605	7.8
161.13297	5.7
163.11197	4.6
165.01851	64.6
165.09143	29.0
167.03441	5.8
167.08510	5.7
168.09296	4.7
169.10095	12.2
170.11063	2.7
171.11685	10.1
173.05675	2.9
173.09593	4.6
173.13277	8.7
175.11172	19.0
175.14793	2.8
177.05499	4.9
177.09131	7.4
179.08609	3.8
180.09401	3.4
181.10136	6.9
181.27577	2.4
183.02885	22.9
183.11697	10.0
185.13300	5.6
187.11110	6.0
187.14867	6.1
189.12733	6.4
191.07016	8.2
193.10031	3.7
195.11719	5.0
196.12378	3.7
197.09535	2.7
199.11217	4.5
201.12761	5.1
201.16420	2.6
203.14337	9.5
203.17996	4.2
205.05002	6.0
207.06558	20.6
207.11739	4.4
207.13812	10.4
209.13295	5.7
211.14841	7.3
213.12582	2.9
219.13751	5.8
221.13330	2.0
221.15335	49.9
221.17308	4.3
223.07596	3.5
229.16026	5.6
231.13704	3.7
233.15405	3.7
234.16138	10.0
240.17186	2.7
251.07077	18.1
253.08704	3.7
253.15813	4.4
267.10150	7.1
269.08096	40.9
285.07596	4.3
287.20114	7.9
300.20938	3.9
329.21115	5.7
334.08286	3.5
335.09003	4.4
349.10776	3.3
365.13770	11.1
381.13327	15.0
391.18860	5.7
391.26364	4.9
409.12961	17.4
409.19632	32.0
409.27710	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70042	2.8
53.03945	4.4
55.01871	4.0
55.05511	15.4
57.07074	7.7
59.05003	3.5
59.78905	2.9
62.60875	3.0
65.03952	4.4
67.05513	22.4
68.26675	3.6
69.03430	7.6
69.07081	16.5
71.16059	3.1
71.16386	3.8
79.05489	23.1
81.07065	35.8
83.04960	4.0
91.05490	51.9
93.07059	46.4
95.04975	46.3
95.08614	32.5
97.06543	10.6
103.05490	3.5
105.07043	100.0
107.08599	30.4
109.06504	8.2
109.10174	17.0
111.08131	2.9
117.07036	16.0
119.08596	73.1
119.09463	4.1
119.63464	3.4
121.06498	18.6
121.10162	19.9
123.08085	19.3
127.11176	3.2
128.06236	7.6
129.07034	5.7
130.07771	3.7
131.08530	21.5
133.10126	16.3
135.08052	14.6
135.11676	3.4
137.09613	8.7
141.07005	4.6
142.07813	13.2
143.08580	18.1
144.09383	7.1
145.06526	4.8
145.10123	39.1
147.04431	4.4
147.08051	13.2
147.11710	37.0
149.02342	10.8
149.09613	9.0
151.07527	27.9
155.08601	8.9
156.09358	5.9
157.10141	20.5
159.08072	7.3
159.11758	15.8
161.09642	8.9
161.13252	5.7
163.11253	4.6
165.01859	46.3
165.09157	29.9
167.03467	3.6
167.08546	6.0
168.09386	4.8
169.10139	11.7
170.10933	5.6
171.11725	14.2
173.13362	9.1
175.11159	24.4
175.14906	3.4
181.10239	4.8
183.02919	13.8
183.11714	10.1
184.50337	3.1
185.13255	7.7
187.11226	5.6
191.07048	7.4
191.14297	4.3
195.11850	4.8
197.13234	5.9
199.14850	4.5
201.12737	7.8
203.14340	12.0
205.05128	5.2
207.06541	17.2
207.13878	9.1
211.14890	7.6
213.10730	3.8
221.13327	6.8
221.15355	47.9
223.14825	3.8
225.12787	3.2
234.16176	10.5
235.14812	4.2
251.07115	19.6
267.10217	4.4
269.08160	28.9
280.46701	3.3
282.04749	3.3
287.20010	7.4
349.17807	3.4
359.58243	3.3
365.13989	15.4
373.17984	3.4
381.13382	11.3
391.26309	5.8
409.12881	17.2
409.19742	28.7
409.27631	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
57.07071	2.5
67.05505	2.8
69.07071	12.2
69.85352	1.9
69.85747	2.4
73.83858	0.9
79.05492	2.9
81.07051	3.4
81.94611	0.8
83.08629	0.9
89.06053	1.6
91.05478	7.5
93.07037	3.7
95.08619	4.6
97.10169	1.0
98.21381	1.6
103.05470	1.7
105.07037	46.0
107.08598	4.3
109.10149	4.2
117.07024	2.8
119.08588	76.7
121.06532	2.8
121.10177	2.4
123.11728	1.7
131.08539	1.2
133.06497	1.4
133.10110	9.0
135.11679	1.7
147.11671	6.5
149.06035	1.5
151.03955	5.4
151.07539	1.1
161.06020	3.8
161.13255	1.5
164.04695	7.0
165.01839	1.2
177.05481	15.9
192.04179	7.2
196.12587	0.9
197.05910	1.1
203.07060	1.1
203.17952	8.3
205.04999	14.8
207.06538	100.0
208.06866	1.5
219.06633	1.2
227.07091	4.1
229.08611	2.2
241.08681	2.4
251.07053	3.8
253.08624	2.7
257.08054	2.0
267.10187	1.4
269.08160	2.4
269.11728	1.3
273.71027	0.9
309.11093	1.2
335.16513	1.3
365.13895	6.4
381.24350	5.4
391.22705	1.9
409.12817	2.3
409.23770	36.3
410.24005	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.7
56.96570	13.2
57.03431	9.0
61.02937	6.1
67.05502	13.6
69.03429	18.5
69.07072	11.6
70.06599	10.1
70.66473	12.7
71.04987	11.2
71.16161	5.6
72.08139	15.3
79.05487	7.5
81.03408	14.5
83.04988	11.8
83.87518	6.7
84.08138	10.9
85.02908	29.8
85.06570	9.3
86.09708	10.7
91.05482	13.0
93.07053	14.8
95.05001	34.4
95.08598	13.2
97.02888	24.3
98.20799	5.9
98.97591	16.2
99.04459	10.3
99.08122	33.8
107.05010	5.7
107.08610	15.0
109.02873	13.9
109.10168	20.8
111.04447	15.6
119.08582	11.7
120.08106	7.2
121.06549	8.9
122.06007	10.6
122.06821	6.8
127.03932	20.2
131.04895	8.4
133.10194	9.7
135.11681	10.2
136.07567	10.4
137.09608	16.2
139.03889	7.2
140.07060	11.5
145.88597	6.8
146.06068	7.3
147.04404	7.0
151.07654	7.5
155.10640	16.1
156.08173	10.6
157.04958	22.5
158.05922	6.3
160.39651	7.2
161.05946	7.0
164.07132	8.7
167.07076	55.4
168.07445	51.0
175.06068	8.8
175.07483	6.7
175.14833	13.7
181.06291	10.0
193.15945	14.0
211.16940	59.1
212.09924	8.5
229.18117	10.1
230.11243	6.8
244.21960	7.2
247.10899	16.5
325.07123	23.9
350.12393	8.3
355.16431	7.6
365.12006	27.1
409.11099	100.0
409.15732	21.5
409.20367	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2377
Annotation	Adunctin A
Peak:m/z	Relative Intensity
51.50834	0.8
53.03942	1.0
55.01881	1.8
55.05520	6.5
55.05734	1.3
57.07072	1.3
58.08397	0.9
61.01134	1.3
65.03928	1.0
67.05503	9.1
69.06720	1.3
69.07073	18.7
72.04508	2.7
78.03777	1.8
79.05499	7.7
81.07056	15.8
83.08623	2.9
91.05486	10.8
93.07057	17.3
95.04964	1.3
95.08611	17.7
97.10138	0.9
102.03758	2.2
104.90077	1.0
105.06371	1.8
105.07034	21.5
107.08600	20.4
109.06539	1.2
109.10158	15.9
117.07017	1.4
119.04941	0.9
119.08595	18.2
121.06503	6.7
121.10151	14.0
123.11707	7.5
131.08572	1.2
132.04802	1.9
133.10150	13.9
135.11699	12.9
143.08600	0.9
145.10121	3.1
147.04462	1.4
147.11700	21.5
149.02324	4.5
149.06021	3.1
149.07457	6.2
149.13333	2.1
151.03931	9.0
151.07561	1.4
159.11728	1.2
161.05972	1.0
161.13275	7.0
165.01869	4.6
167.03406	2.4
167.08527	1.4
175.14861	1.2
177.05481	38.6
177.07065	1.9
183.02953	1.1
189.05524	1.2
191.07065	3.3
193.04997	1.9
197.06079	1.2
203.07054	1.7
203.17964	28.2
205.04970	48.3
206.05577	1.5
207.06548	17.6
217.08472	1.0
219.06543	2.1
223.07642	1.1
229.08472	1.0
231.10303	0.9
233.08046	0.9
251.07066	11.2
253.08653	1.7
257.08047	1.1
269.08093	5.9
273.14832	1.3
285.07846	1.3
285.11279	1.4
313.14426	2.1
321.11218	1.5
327.15918	2.0
332.25824	1.5
335.09036	1.2
341.17499	10.4
349.10718	1.8
353.17856	1.1
365.09891	1.2
365.13937	9.9
373.17953	1.6
377.10165	1.0
381.13376	5.3
391.18927	4.5
409.12817	8.6
409.23782	100.0
409.28278	3.5
410.24149	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	409.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23529	0.6
55.05502	1.1
62.20661	0.7
67.05504	0.8
69.07076	8.0
69.30288	3.1
69.30716	2.9
70.86893	0.6
81.07052	2.0
91.05482	4.1
93.07058	1.7
95.08573	2.2
98.21515	1.5
105.07041	36.8
107.08595	1.6
109.10166	1.2
117.07024	1.6
119.08590	63.4
121.06493	2.4
121.10155	0.9
133.10139	8.0
135.18050	0.7
147.11700	4.5
160.98181	0.6
161.05959	2.3
161.13257	1.0
164.04691	2.8
177.05490	9.4
192.04112	4.0
203.17995	9.3
205.04990	16.1
207.06544	100.0
208.06949	1.0
263.51077	0.7
285.11316	0.9
290.17560	0.8
409.23770	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2376
Annotation	Adunctin A
Peak:m/z	Relative Intensity
50.58393	1.2
53.03939	2.5
53.14882	1.0
55.05515	3.6
57.07068	1.5
67.05508	9.9
69.06723	2.1
69.07075	27.6
69.28196	10.3
69.28582	2.5
73.91287	1.1
79.05503	8.2
80.06322	1.1
81.07061	17.1
83.08633	2.8
88.66522	1.1
91.04972	1.2
91.05496	17.9
93.07058	18.0
95.04993	1.8
95.08616	23.2
103.05475	1.4
105.07043	65.7
107.08602	19.2
109.09442	2.0
109.10161	19.7
110.43924	1.1
111.11717	2.5
115.87620	1.1
117.07040	4.8
119.08594	89.7
121.06528	12.9
121.10164	13.1
123.11718	5.3
133.06505	1.5
133.10141	24.5
135.11700	5.5
145.10194	1.6
147.11705	28.0
149.06018	5.2
151.03923	11.3
159.11586	1.3
161.05949	3.9
161.13292	7.9
163.03949	1.2
164.04634	7.5
175.14871	2.4
177.05495	62.1
191.07091	1.1
192.04153	5.5
193.04988	3.1
195.03635	1.2
203.17979	45.4
205.04979	73.2
207.06544	100.0
219.06573	5.2
231.06245	1.3
251.07056	1.3
285.11270	2.4
299.12881	2.4
327.16010	3.4
341.17746	1.8
353.17542	2.5
409.23782	90.1
410.24176	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	409.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.05506	0.7
65.35393	0.6
67.05490	0.9
69.07079	4.0
69.24440	6.7
74.27625	0.6
79.05495	1.4
80.10743	0.6
81.07056	1.5
91.05474	5.9
93.07065	1.4
95.08610	1.6
97.03970	0.6
103.05417	1.0
104.06307	0.7
105.07038	29.7
107.08600	1.5
109.10173	2.0
109.56383	0.6
112.99992	0.6
113.20902	0.6
117.07027	3.4
119.08591	48.3
120.08939	1.0
121.10173	1.4
122.34637	0.6
123.15808	0.7
125.06007	0.7
133.06485	1.6
133.10129	4.6
135.11659	0.9
147.11699	3.0
151.03841	1.0
151.07588	1.4
156.32928	0.7
161.05972	2.8
162.82364	0.6
164.04694	9.5
165.01866	6.3
177.05482	1.8
182.64406	0.6
183.02875	2.1
191.06998	0.9
192.04189	8.6
203.17993	2.4
205.04948	2.3
207.06543	100.0
208.07002	1.2
251.06987	5.8
258.58746	0.6
269.08115	6.7
336.17502	0.6
340.76395	0.7
365.13895	8.5
381.13275	1.1
391.18927	1.0
409.12762	1.8
409.24005	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	409.2375
Annotation	NIMBOCINOL
Peak:m/z	Relative Intensity
54.93681	3.5
55.89680	3.1
63.57782	3.8
67.05505	6.8
69.86456	15.1
79.05493	4.8
79.17133	3.2
79.69796	3.4
81.07059	5.7
83.49706	3.2
83.58305	3.3
91.04961	6.5
91.05489	93.3
93.07047	13.2
95.08596	8.2
105.07034	24.4
107.08643	6.8
119.08582	30.1
123.11736	4.0
133.10139	8.1
135.11702	7.7
149.02359	7.0
165.01833	5.8
167.03377	7.0
177.05460	7.5
179.08508	5.6
181.10106	4.8
189.05438	8.8
191.06917	4.1
203.07053	6.8
203.17928	7.0
205.04961	7.5
207.06497	36.8
209.09528	5.3
211.10980	3.7
237.09198	7.9
239.10832	5.0
251.07117	11.2
251.69069	4.8
253.08615	8.4
267.07535	7.1
267.10196	100.0
269.07993	14.1
273.07642	9.6
330.17828	3.4
365.13892	29.0
381.13159	7.1
391.18564	5.6
391.22797	70.1
409.12732	4.8
409.23685	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	409.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47883	0.6
55.05513	1.4
58.11797	0.7
65.03939	0.6
67.05483	1.7
69.03452	1.0
69.07082	1.6
71.04971	0.8
71.49798	1.2
79.05484	3.3
81.07056	4.7
91.05487	16.5
93.03436	0.7
93.07037	2.7
95.08617	2.1
98.97572	0.8
99.04507	0.9
103.65031	0.6
104.35085	0.7
105.03369	0.7
105.07043	4.0
107.04951	1.2
107.08597	2.0
109.06519	2.1
109.10159	4.0
117.07001	1.2
119.04934	1.1
119.08591	1.7
121.02892	0.8
121.06515	0.6
121.10134	1.4
123.08035	0.7
127.11221	0.8
128.06270	0.7
129.07048	0.9
133.10141	2.8
135.04428	0.9
137.05965	3.6
143.08557	1.0
145.10117	1.8
147.04445	4.2
147.08061	0.7
147.11674	1.0
149.02341	10.3
151.03973	0.9
151.07603	0.8
151.11183	0.6
157.06522	0.8
157.10089	0.9
159.11693	0.7
161.13293	0.8
163.03943	1.1
167.03432	9.8
167.21884	0.7
169.10104	0.7
171.11708	0.8
175.03949	3.3
175.07562	0.7
176.04753	1.5
179.08620	1.5
187.03868	0.7
187.07658	0.7
189.05443	0.8
191.07043	9.7
197.06009	1.1
201.05522	0.7
203.07077	1.9
207.08167	0.9
209.09785	0.8
210.06888	0.8
211.04079	0.6
211.07550	1.1
219.06552	2.0
225.09184	1.8
235.07550	1.6
241.08524	0.9
251.07063	2.8
251.97745	0.6
253.08632	15.5
254.08817	0.8
257.04456	1.1
259.20581	1.1
269.08081	8.6
277.09018	0.7
277.17935	1.3
283.05902	0.8
291.10223	1.6
293.11752	1.1
305.11716	1.4
307.06210	0.7
309.07504	1.1
309.11105	0.9
317.08197	0.8
319.06152	1.0
321.11240	0.7
333.07318	0.8
335.17188	1.1
349.10699	7.3
351.08649	0.7
353.17914	0.9
373.17957	2.0
377.10294	2.9
381.13382	12.7
391.18982	12.1
409.13446	21.5
409.21967	100.0
410.22440	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	409.2202
Annotation	Trichodermatide A
Peak:m/z	Relative Intensity
55.01882	0.8
55.05506	1.1
56.96560	0.7
57.22177	0.5
65.03944	1.1
67.05511	1.5
69.03464	0.6
69.07076	1.8
70.57108	0.5
71.04975	1.2
71.57398	0.5
79.05496	1.7
81.07066	3.7
83.04971	0.7
85.02914	0.6
85.06544	0.9
91.04955	1.1
91.05489	9.8
93.03419	0.7
93.07059	2.4
95.04987	1.3
95.08626	2.1
96.84169	0.5
104.26640	0.5
105.03436	0.9
105.07040	2.5
107.08603	1.6
109.06520	1.3
109.10169	2.7
115.58273	0.5
116.98642	0.6
117.07046	0.5
119.08590	2.1
121.10159	2.0
121.42461	0.5
123.08067	0.7
125.09625	0.6
129.07056	0.8
131.01247	0.6
133.10143	2.2
135.04456	1.0
135.11682	1.0
137.05986	3.7
143.08615	0.8
145.10170	1.3
147.04422	3.9
147.11714	1.3
149.02359	9.3
151.03990	0.8
159.11821	0.9
161.09642	0.8
161.13269	0.9
163.03949	1.2
167.03426	10.6
175.03958	2.1
176.04712	0.9
177.05455	0.8
179.08585	0.7
181.10106	0.7
189.05536	1.0
191.07066	7.9
195.08165	0.7
203.07063	1.6
211.07626	0.7
215.07115	0.7
219.06522	1.4
225.09169	1.3
231.17537	0.7
235.07544	1.2
241.04909	0.8
241.08730	1.1
251.07124	3.5
253.08620	8.4
257.04532	1.4
259.20627	0.7
265.08591	0.6
267.06647	0.5
269.08148	9.7
277.08679	0.7
277.18036	1.5
283.06125	0.9
289.08527	0.7
291.10233	1.3
293.11639	0.7
303.06628	0.8
305.08234	0.9
307.09689	0.7
309.07742	1.3
309.19067	0.8
317.08099	0.9
319.05917	1.4
334.08395	1.2
335.17242	0.8
349.10672	8.8
350.11249	0.7
351.08643	1.2
353.17834	0.8
363.08539	0.8
363.12546	0.7
373.17966	1.3
377.10321	3.4
378.10812	1.2
381.08987	1.1
381.13409	11.7
391.19055	7.8
409.13611	18.2
409.21997	100.0
410.13275	1.3
410.22211	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.6
57.07065	5.2
67.05507	10.3
69.06718	3.1
69.07074	46.5
71.08624	3.2
71.58336	2.0
79.05484	6.3
81.07066	30.3
83.08620	7.0
86.76025	1.9
89.06007	2.7
91.05489	6.5
93.07059	12.0
95.08608	29.6
97.06538	2.8
97.10196	3.2
105.07044	12.9
107.08643	10.1
109.10158	18.9
111.11716	5.7
119.08607	14.7
120.24434	1.9
121.06553	2.5
121.10170	13.0
123.11710	10.7
124.31364	2.1
131.08586	4.7
133.10101	8.2
135.11723	8.0
137.13257	16.6
139.11197	9.4
145.10132	5.2
147.11661	3.8
149.13287	6.1
151.07501	2.6
159.11717	2.3
161.13211	3.0
163.14827	2.7
165.01941	3.0
165.07054	2.5
167.08588	7.3
175.14815	2.4
177.05478	2.6
179.08571	2.4
179.27133	2.2
183.38692	2.1
189.16383	2.1
191.17937	2.1
195.08063	3.9
197.05954	7.6
201.16457	2.3
203.07050	2.8
203.17978	4.1
205.05098	3.1
207.06467	13.9
216.17178	2.3
223.07602	8.6
224.60411	2.3
235.07585	13.7
247.52065	2.1
251.07053	100.0
252.07404	2.4
253.08623	10.8
257.22571	3.0
269.08099	18.9
271.24228	2.7
284.29950	2.3
322.24420	2.1
365.13763	3.5
373.18088	13.4
381.13437	3.3
391.18979	23.5
391.35580	2.6
409.12573	4.5
409.38910	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	409.2012
Annotation	Isoemericellin
Peak:m/z	Relative Intensity
50.30473	1.5
53.03931	4.9
55.01849	1.4
55.05499	4.0
67.05493	6.3
68.88559	1.5
69.07076	35.7
69.28358	16.0
69.28673	1.4
70.09017	1.8
79.05470	3.9
81.03426	1.9
81.07066	8.4
91.05489	22.9
92.05815	3.0
93.07051	8.5
95.04967	1.9
95.08600	5.5
103.05492	2.0
105.03407	26.0
105.07035	11.2
106.81351	2.1
107.04990	1.9
107.08615	2.9
109.06472	1.8
109.10152	4.6
111.11732	3.2
119.08591	2.8
121.06484	2.0
121.10152	7.0
123.11701	4.0
129.07005	1.8
129.82756	1.8
131.04977	1.9
133.06436	1.7
133.10146	15.6
135.11665	2.1
139.11174	2.0
141.06969	2.1
149.02351	4.0
151.11206	7.7
152.06213	4.3
161.05980	3.2
165.01875	5.3
165.06978	4.0
166.02393	1.8
167.08600	10.8
175.03970	3.2
177.06989	3.1
178.07741	2.1
179.08559	3.7
181.06413	2.7
194.07381	1.8
195.08032	6.4
197.05992	10.8
199.27762	1.8
203.06998	11.0
207.08101	3.9
211.07523	6.0
223.07562	16.7
225.09071	3.1
229.08727	8.0
235.07547	17.8
239.07034	4.9
241.08572	6.2
243.06523	6.2
251.07057	100.0
252.07426	4.7
253.08606	10.8
257.08127	19.2
258.08710	2.1
263.07138	2.3
263.48193	1.6
265.08615	3.9
268.10333	2.7
269.08237	15.4
269.10880	3.6
271.09476	5.0
273.07547	5.6
273.14645	2.0
277.08792	2.8
279.10229	2.1
281.08173	2.4
289.08463	4.5
291.10126	5.7
293.11768	2.4
299.10760	3.3
303.10095	2.2
305.11667	3.4
307.09671	2.2
309.11105	4.8
312.11508	2.2
317.11694	5.0
323.12619	3.8
330.12396	4.9
335.08917	4.1
335.12732	3.5
341.13849	4.0
365.13824	20.3
373.18155	8.7
391.19089	64.1
392.19470	2.3
409.12796	16.4
409.20047	73.0
410.20343	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	409.2013
Annotation	Xanthokeismin A
Peak:m/z	Relative Intensity
67.05505	1.4
69.03399	0.4
69.07074	1.1
70.10933	0.6
70.11280	2.0
79.05502	0.6
81.07052	1.7
91.05493	6.9
93.07039	1.5
95.08579	1.1
98.22351	0.4
105.07010	1.9
107.08589	1.9
109.10194	2.4
110.27759	0.4
119.08587	1.4
121.10159	3.0
123.11706	1.3
126.86642	0.4
129.07005	0.5
131.08545	0.5
133.10152	1.0
135.11699	0.5
137.67839	0.4
141.06935	1.0
145.10114	0.8
147.04388	0.9
151.85117	0.5
152.06210	2.0
163.03949	0.7
165.05751	0.5
165.07037	1.9
166.07814	0.8
167.08571	5.3
169.06558	0.5
170.39418	0.5
175.03947	1.7
177.07001	1.5
178.07719	0.6
179.08563	1.7
181.06470	0.7
181.35905	0.4
191.03133	0.5
191.07036	0.6
195.08119	4.3
197.05986	7.8
197.09702	0.5
201.05412	0.6
205.06525	1.0
207.08110	1.4
223.07564	7.5
225.09087	0.8
228.09419	0.5
235.07593	4.2
241.08655	1.1
249.09135	0.6
251.07059	100.0
252.07410	2.3
253.08609	7.7
257.04443	0.6
263.07172	0.5
265.08755	0.8
269.08112	35.7
270.08334	0.5
291.10013	0.8
303.10153	0.5
303.13843	0.5
305.11697	0.5
317.11795	0.6
319.13412	0.6
331.13141	0.5
355.16998	1.6
373.17975	9.4
374.18396	0.6
381.13336	1.3
390.33875	0.5
391.19055	16.3
392.19318	0.8
409.13123	2.3
409.20099	6.5
409.25793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2013
Annotation	(2R,3S)-3,5,7-Trihydroxy-6-geranylflavanone
Peak:m/z	Relative Intensity
53.03935	1.1
55.05502	1.7
59.05000	1.5
65.03941	3.5
67.05505	3.4
69.07076	6.8
69.85962	1.6
69.86377	3.3
71.51885	0.9
71.64185	0.9
79.05482	3.4
79.78329	0.9
81.07056	4.2
83.01360	1.8
91.05485	7.7
91.66461	0.9
91.99351	1.0
93.03419	3.8
93.07045	16.2
93.28614	0.9
95.08611	2.2
98.20750	1.9
105.03414	5.5
105.07021	4.8
107.04978	3.4
107.08595	10.7
109.10150	3.3
111.17191	1.0
117.29884	0.9
119.04942	2.4
119.08608	1.0
121.02937	2.1
121.06528	2.3
123.11697	1.8
123.43223	0.9
131.01292	4.3
133.10170	2.8
135.11682	14.8
137.02312	1.2
141.01886	1.5
141.07027	1.2
147.04436	6.0
149.02351	100.0
150.02675	1.6
151.11145	1.1
155.08614	1.0
157.06512	1.6
161.02339	1.8
163.03934	3.3
165.01852	23.8
165.06886	1.1
167.03416	62.2
167.08640	1.0
169.06548	3.0
171.08066	1.1
175.03926	3.0
179.03412	29.7
183.02922	6.2
187.03885	2.4
189.05510	3.1
191.07040	2.0
195.08147	1.8
197.06026	6.2
199.07600	1.0
201.05464	1.2
203.07082	6.1
211.07555	1.9
215.07094	4.3
219.06569	1.7
223.07542	2.5
227.06982	1.2
229.08803	2.3
239.07059	5.7
245.08105	4.3
251.07048	4.2
253.08673	1.5
257.08218	3.6
267.06534	4.9
269.08109	50.2
271.09714	1.6
271.13416	6.0
273.07666	4.2
281.07962	1.5
285.07623	3.2
287.09253	3.5
289.14417	3.0
323.12714	2.3
365.13873	6.3
373.18033	1.2
391.19031	9.7
409.20129	68.4
410.20584	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	409.2012
Annotation	Xanthokeismin A
Peak:m/z	Relative Intensity
51.36234	0.8
55.05517	4.8
59.04993	1.0
67.05515	2.3
69.03416	1.2
69.07072	44.3
71.37634	1.5
79.05484	1.0
81.07062	3.1
82.42812	0.9
91.05482	10.7
93.07036	2.9
95.08610	3.1
97.06504	1.6
101.20409	0.9
103.05428	1.3
105.07052	1.8
105.95173	1.0
109.10162	2.4
111.11710	7.2
121.10155	5.0
129.07043	1.2
139.11186	14.6
141.06976	1.6
149.02344	1.5
152.06219	2.1
163.03813	1.0
165.07065	2.6
166.07777	1.3
167.08574	7.8
175.03952	1.3
176.06288	1.0
176.78140	1.1
177.06912	1.4
178.07851	1.3
179.08580	4.0
187.07542	1.0
195.08055	3.1
197.05974	10.4
207.08031	2.4
223.07571	10.2
225.09036	1.3
235.07541	18.6
251.07048	100.0
252.07324	3.1
253.08604	19.8
269.08084	23.0
270.08649	1.1
291.10269	2.2
305.11884	1.4
309.11246	2.2
317.11856	1.2
335.12915	1.7
355.17130	2.3
365.13626	1.1
373.18015	15.0
381.13342	3.3
391.19089	25.1
409.20358	1.8
409.25067	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2011
Annotation	Mulberrofuran Y
Peak:m/z	Relative Intensity
51.65199	0.4
55.01876	2.1
59.04997	0.6
60.06667	0.3
67.05505	0.7
68.99802	0.8
69.03426	0.7
70.00563	0.4
70.79596	0.4
71.27614	0.7
76.72900	0.3
79.01852	0.6
79.05489	0.7
81.03422	1.3
81.07084	0.7
81.37613	0.4
89.70818	0.4
91.05489	1.1
93.07036	0.9
95.97096	0.4
97.02907	0.6
99.00829	0.5
103.05453	0.7
107.08595	0.6
109.10171	1.9
123.00790	1.6
123.11728	0.6
131.04927	2.5
135.11705	1.2
137.02347	1.9
141.01822	5.2
165.01839	100.0
166.02129	1.1
172.33551	0.4
177.03889	0.4
179.03381	2.0
183.02893	24.7
184.03209	0.5
191.14078	0.3
204.80476	0.4
205.04968	0.8
219.06517	1.0
227.07030	2.3
253.08655	0.7
257.08194	0.9
269.08090	77.5
270.08405	1.7
283.09680	1.0
305.13934	0.8
309.11200	3.8
335.12906	0.5
347.33929	0.4
374.89539	0.5
391.19025	6.7
409.19931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2011
Annotation	(2R,3S)-3,5,7-Trihydroxy-6-geranylflavanone
Peak:m/z	Relative Intensity
51.89987	0.8
55.01878	3.4
59.04987	0.9
67.05480	2.9
68.99773	1.1
69.07075	5.6
69.27982	7.1
79.01843	0.9
79.05485	1.5
81.07052	3.7
91.05480	4.4
93.07038	5.2
94.25624	0.9
95.08603	1.8
97.02870	1.4
97.06509	1.0
105.07021	2.8
107.08598	3.9
109.06530	0.7
109.10176	3.8
119.08614	0.9
121.33097	0.7
123.00785	2.0
123.11671	1.3
131.04947	6.5
135.04445	0.8
135.11708	3.1
137.02304	2.0
141.01848	5.7
149.02364	2.0
153.01918	1.0
159.32907	0.8
165.01843	100.0
166.02170	1.0
167.03314	0.8
177.01872	1.3
177.05507	1.1
179.03372	2.6
181.04996	1.7
183.02893	33.0
189.05482	1.3
191.06943	2.1
203.03369	1.3
203.07014	1.5
205.04967	2.7
219.06436	3.9
227.07083	2.9
231.06554	3.7
251.07016	4.0
253.08699	1.0
269.08102	52.5
270.08597	1.8
276.08353	0.7
287.12741	2.3
307.09747	1.3
309.11288	1.3
323.12607	1.3
337.01880	0.7
349.10410	0.9
364.96402	0.7
365.13947	1.8
381.13330	3.0
391.19153	3.4
409.13028	4.7
409.20111	51.7
410.20419	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	409.2012
Annotation	(2R,3S)-3,5,7-Trihydroxy-6-geranylflavanone
Peak:m/z	Relative Intensity
53.00293	0.5
53.22744	0.4
60.60989	0.4
65.03940	2.9
67.05486	0.6
69.07081	2.4
69.84660	0.4
70.81497	1.1
79.05484	0.7
81.07037	1.0
88.01963	0.4
91.05484	1.4
93.03411	2.8
93.07034	0.6
95.08619	0.6
105.07030	0.5
107.08577	0.6
109.10132	0.5
111.04443	0.5
119.08582	0.8
121.02886	2.8
121.27134	0.4
131.01308	4.2
133.10159	0.8
134.06993	0.4
135.04413	0.4
137.05988	0.8
149.02347	100.0
150.02699	1.6
163.03917	4.4
167.03409	62.3
168.03775	1.3
171.07932	0.4
177.05484	0.8
191.07138	0.6
203.07034	0.7
207.06583	0.7
217.08528	0.6
229.15709	0.4
239.06908	0.6
251.07062	1.1
253.08640	1.2
257.08188	0.7
267.06546	5.0
269.08090	1.6
273.14944	3.7
285.07587	48.6
286.07965	1.4
299.08954	2.0
335.08731	0.5
341.13821	0.7
353.13803	0.7
365.13663	2.6
366.13788	0.5
378.83258	0.5
381.13403	0.6
391.19070	1.3
409.12939	1.0
409.20135	12.9
410.20471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2012
Annotation	(2R,3S)-3,5,7-Trihydroxy-6-geranylflavanone
Peak:m/z	Relative Intensity
55.01871	1.9
55.05515	0.4
67.05511	0.3
68.99796	1.1
69.07051	1.1
69.56409	1.5
69.56822	0.7
79.01818	0.8
79.05463	0.4
81.03410	0.8
81.07075	0.7
91.05461	1.1
92.99771	0.5
93.07056	0.5
95.04971	0.4
95.58684	0.3
97.02876	0.7
99.00798	1.0
105.07020	0.8
107.04951	1.8
109.02866	0.5
109.06518	0.4
109.10149	0.5
114.81857	0.3
115.50875	0.3
119.08548	0.4
121.06527	2.8
123.00780	1.7
123.11760	0.4
130.77184	0.3
137.02368	1.6
139.03917	0.6
141.01837	4.1
147.04352	0.4
149.02348	0.8
163.03992	0.4
165.01837	100.0
166.02132	1.4
167.03450	0.4
175.03937	0.3
179.03329	1.4
183.02899	27.7
191.03377	2.9
211.07625	0.3
239.07094	0.4
241.08691	0.4
243.06575	0.4
251.07062	3.0
253.08664	0.5
264.29401	0.3
267.06564	0.8
269.07999	1.8
285.07584	62.5
286.08035	1.6
289.14383	0.8
299.08994	0.7
365.13885	0.7
373.17554	0.4
391.19135	1.6
409.20090	1.6
409.26794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2013
Annotation	Kenganthranol A
Peak:m/z	Relative Intensity
55.01867	1.6
65.03931	2.4
65.82539	0.7
67.05485	1.5
68.99792	1.3
69.07063	0.8
71.09129	1.4
73.82787	0.6
79.01846	0.7
81.03421	0.9
81.07047	1.9
91.05474	3.1
93.03411	1.8
93.07030	2.1
95.08609	0.8
97.06479	0.8
105.07002	1.4
107.08622	1.3
109.10139	2.9
119.04952	2.1
121.02862	2.1
123.00790	1.6
123.10291	0.7
131.01254	3.6
131.04907	0.9
135.11700	2.1
137.02353	1.8
141.01831	5.2
147.04430	12.3
149.02353	72.7
150.02690	0.8
161.06122	0.9
163.03911	1.9
165.01849	87.3
166.02275	0.6
167.03415	38.7
175.03969	1.3
183.02911	20.4
185.09630	0.7
189.05470	4.3
191.07043	1.2
203.07054	3.1
215.07007	0.8
227.07014	2.1
241.08583	0.7
247.07491	0.7
251.07013	1.5
253.08601	1.9
257.08066	0.8
269.08102	100.0
270.08429	2.5
271.13348	2.7
289.14304	1.6
309.11145	6.9
327.12299	1.5
349.10706	1.1
359.09381	1.0
365.13699	0.8
377.10233	3.9
391.19083	7.2
409.13000	7.1
409.20023	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	409.2012
Annotation	Xanthokeismin A
Peak:m/z	Relative Intensity
55.01884	0.8
55.05507	2.1
63.16551	0.7
67.05495	2.6
67.48189	0.8
69.03419	1.1
69.06718	1.1
69.07073	17.3
70.76652	1.7
70.76995	1.1
79.05476	1.4
79.76547	0.8
81.07050	3.5
86.92281	0.7
91.05487	12.7
93.07028	3.0
95.08603	2.3
97.06503	0.8
103.05457	1.3
105.03392	1.9
105.07060	1.8
107.08596	1.1
109.10152	7.6
111.11711	3.4
121.10119	4.3
123.11694	1.6
125.44338	0.8
127.11183	2.5
131.04933	1.0
133.10072	0.8
137.05943	1.1
139.11198	4.2
141.06972	1.1
147.04454	1.0
149.02388	2.0
152.06230	2.4
161.05984	0.9
163.03909	0.8
165.01884	0.8
165.06985	3.8
166.07799	1.6
167.03381	0.9
167.08545	8.3
169.06454	1.4
175.03928	2.3
177.06989	1.7
178.07756	1.1
179.08588	1.8
181.06462	1.2
188.63307	0.7
195.08054	4.3
197.05978	10.7
201.05527	1.1
203.06920	1.1
205.06560	1.1
207.08051	2.2
223.07570	11.0
225.09138	1.7
235.07541	9.4
239.06877	1.1
247.07649	1.2
251.07047	100.0
252.07407	3.2
253.08630	15.2
261.09314	1.0
263.07080	1.5
263.10669	1.1
265.08588	2.8
269.08099	15.5
277.08716	1.6
277.12000	0.9
279.10052	0.8
287.10730	1.2
289.08673	1.3
291.10172	2.0
301.45496	0.8
305.11761	4.6
305.24780	0.9
307.09604	1.9
309.11142	1.6
317.11737	1.2
323.12732	3.0
335.12860	1.1
355.16751	1.8
373.18036	13.6
381.13245	1.3
391.19067	33.5
392.19324	1.3
409.12686	2.2
409.19894	5.2
409.25272	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
59.25962	0.7
65.03949	1.2
67.05502	2.2
69.07058	0.9
69.64497	5.4
71.04972	1.1
79.05485	1.3
81.07050	3.1
81.24783	0.8
91.05466	2.7
93.03402	0.8
93.07065	3.7
95.08597	1.2
97.06548	1.4
105.03349	1.0
105.07030	1.2
107.04961	7.4
107.08586	1.9
109.10140	2.3
117.06977	0.9
119.04935	2.3
119.08578	0.8
121.02880	1.4
121.06515	0.8
121.10188	1.0
123.11681	1.5
129.06953	0.9
131.01326	1.1
135.04413	0.7
135.11708	1.4
139.11169	0.7
141.06999	2.1
147.04424	3.6
149.01140	1.3
149.02350	27.6
152.06213	3.5
153.07018	0.9
153.12823	0.9
155.04909	1.2
161.05940	1.0
163.03896	3.4
165.01854	2.9
165.05763	0.8
165.07002	3.1
166.07784	1.3
167.03418	21.4
167.07156	1.3
167.08578	8.0
169.06441	0.9
173.06128	1.2
175.03926	2.2
177.05502	0.9
177.06964	3.0
178.07774	1.2
181.06502	1.5
183.02879	1.5
187.03917	2.1
191.07065	3.1
193.04953	0.8
195.08061	5.2
197.06027	7.2
199.07623	1.2
201.09050	0.8
203.07028	2.2
220.43990	0.7
223.07544	12.8
235.07541	3.8
239.07112	1.3
241.08578	3.2
251.07053	100.0
252.07454	2.6
253.08698	4.0
263.07080	2.2
269.08124	31.3
278.09412	0.9
287.09241	2.4
291.06598	0.9
291.10159	1.1
303.06552	1.0
303.13400	1.0
305.11649	0.8
309.11044	1.5
319.09598	1.4
321.11172	0.9
331.09705	0.9
333.07437	1.0
333.83109	0.8
334.08188	1.5
335.09030	1.0
347.09055	1.4
349.10730	3.7
349.28937	0.8
351.08588	2.7
351.12405	1.1
363.08746	1.7
373.17966	2.9
377.10086	2.6
378.10916	2.3
381.13361	20.0
391.19006	16.5
400.59982	0.9
409.12170	9.0
409.16849	29.3
409.25418	2.9
409.31253	2.7
410.16724	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01877	1.2
56.04095	0.6
56.96558	1.2
59.05001	0.7
65.03928	1.0
65.98717	0.7
67.05489	1.9
69.07073	0.8
71.04984	1.3
71.58289	1.0
79.05497	1.2
81.07045	2.8
91.05476	3.9
93.03385	0.7
93.07047	2.6
95.04974	1.2
95.08616	1.1
97.06541	1.3
97.28522	0.7
101.55259	0.6
103.05490	0.8
105.07026	1.8
107.04949	4.1
107.08593	1.4
108.10844	0.7
109.10147	2.6
115.05437	0.8
119.04944	1.7
119.08591	1.4
121.06555	0.7
121.10162	1.7
123.11723	1.0
129.06982	0.9
131.01311	1.0
131.04849	0.7
131.08522	0.9
133.10214	1.2
135.11670	2.0
137.02423	0.7
139.11221	1.3
141.06999	2.0
143.08554	1.0
145.10118	0.8
145.70677	0.6
147.04408	2.2
149.02350	17.0
151.03864	0.8
152.06201	4.1
153.05438	1.0
153.06900	0.6
153.12802	1.1
155.04936	1.0
155.08633	0.7
159.08095	0.6
161.06021	2.0
163.03897	2.6
165.01892	5.2
165.07002	3.2
166.07675	1.9
167.02127	1.2
167.03424	14.7
167.07080	1.9
167.08588	7.1
168.09001	0.8
169.06535	1.0
171.08005	0.7
173.13245	1.0
175.03896	1.9
177.05487	0.9
177.07039	1.7
178.07823	1.0
179.08553	1.3
181.06543	1.1
183.02924	1.8
185.05997	1.1
187.03908	3.9
189.05571	0.7
191.07059	1.0
195.08080	5.1
197.05975	11.2
199.07648	0.9
201.05513	1.1
203.07011	3.9
205.04857	1.2
205.06606	1.2
213.05528	0.8
223.07571	11.7
225.09190	1.3
235.07552	3.5
239.07013	0.9
241.08624	1.8
251.07056	100.0
252.07419	2.9
253.08673	4.5
257.04501	1.0
261.08737	0.8
263.07138	1.8
265.11862	0.7
269.08093	21.4
275.10617	1.0
287.10608	2.0
291.06427	0.9
303.10028	0.9
305.08057	1.3
305.11517	1.0
306.09015	1.6
309.11099	1.3
319.05853	0.9
321.11224	1.4
323.09259	1.5
327.11908	1.0
333.07596	1.2
349.10721	1.9
351.08612	2.8
373.18021	4.0
377.10324	1.1
378.10675	1.1
381.13373	22.2
382.13669	1.5
391.11765	1.3
391.13528	1.1
391.19064	19.1
409.12222	7.6
409.16949	20.2
409.25323	1.2
409.30936	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	409.2012
Annotation	Kenganthranol A
Peak:m/z	Relative Intensity
53.03951	0.8
55.01880	3.3
55.05508	1.2
59.05001	0.8
65.03935	0.6
67.05494	2.5
68.99791	3.3
69.03445	1.1
69.07076	9.2
70.21493	1.3
70.21889	1.2
71.05025	0.5
72.01278	0.5
79.05491	1.4
81.03423	0.9
81.07054	4.6
91.05492	5.7
92.99756	0.9
93.07058	3.5
95.04981	1.3
95.08588	1.7
99.00845	1.1
103.05466	2.5
105.07021	4.0
107.04958	0.9
107.08604	3.5
109.06516	1.3
109.10159	2.5
111.11712	0.9
119.04929	1.0
119.08581	2.6
121.02857	3.4
121.10133	1.4
123.00784	1.9
123.11705	2.7
131.04942	5.6
131.08516	0.6
133.10144	0.7
135.04466	1.2
135.11694	2.7
137.02330	2.8
141.01834	6.2
145.10139	0.9
147.04416	2.8
147.08113	0.5
147.11676	2.0
149.02345	3.1
149.05995	1.0
151.03973	0.8
151.07587	0.7
153.12924	0.5
159.04459	0.7
163.03949	0.6
165.01846	100.0
166.02162	1.4
167.03423	2.2
174.06868	0.8
175.03893	1.4
176.04637	0.7
177.01909	3.1
177.05511	2.7
179.03432	3.8
181.04990	0.7
183.02901	30.0
187.03918	1.4
189.01845	0.6
189.05443	1.7
191.03467	0.9
191.07053	4.4
193.04956	1.2
195.02992	0.8
200.89374	0.5
201.05508	1.0
203.03387	7.7
203.06981	1.7
203.17938	1.9
205.04961	3.7
207.06502	1.4
217.04916	1.6
219.06496	3.7
221.04442	1.2
223.07430	1.0
225.09013	0.8
227.07126	2.6
231.06635	2.7
235.05864	0.8
241.08723	0.9
251.07051	4.8
253.08609	1.5
257.08350	0.7
263.07184	0.7
263.10501	0.7
269.08109	32.4
273.14935	1.1
274.06210	0.6
281.08261	3.7
285.07639	1.5
287.12790	6.4
291.06564	1.9
291.09863	0.9
292.07315	0.7
293.08041	1.1
303.06378	0.7
307.09674	5.7
309.07578	3.1
309.11142	1.6
317.08130	1.2
319.05997	12.4
320.06796	1.6
321.11322	1.7
323.09305	1.0
323.12738	6.0
332.06778	2.1
333.07626	1.3
334.08362	2.9
335.08966	1.7
335.12778	2.0
345.07623	0.9
347.05563	4.6
348.06351	4.8
349.10815	5.8
349.14676	0.9
351.08456	1.7
361.06873	1.0
362.07870	10.7
363.08627	25.3
364.09067	1.3
365.13846	3.6
373.17874	0.8
377.10272	7.1
378.10861	5.1
379.07843	3.0
381.13330	3.6
391.19003	11.5
393.09885	0.6
394.10678	1.5
409.12805	59.8
409.20053	52.1
410.13196	2.3
410.20386	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2011
Annotation	Kenganthranol A
Peak:m/z	Relative Intensity
65.03928	1.1
67.05511	1.0
69.07044	1.3
69.73054	1.3
69.73457	3.1
79.05466	1.7
81.07037	1.9
91.05485	13.1
93.07023	1.1
95.04961	0.9
95.08603	1.2
103.05418	1.1
105.07021	1.5
107.04952	1.6
107.08603	1.4
107.51669	0.6
109.06502	1.4
109.10157	2.3
117.07050	0.6
119.04916	1.7
119.08583	1.9
121.06541	0.9
121.10120	0.8
123.11670	0.6
125.05997	1.2
129.07030	1.2
131.08484	0.8
133.10159	1.3
135.04356	1.1
135.11714	0.9
145.06482	0.6
145.10149	1.3
146.10422	1.0
147.04453	3.4
147.08029	0.9
149.02353	9.4
149.06038	3.2
151.03880	0.7
153.05460	2.0
157.06473	0.7
159.04439	0.7
159.11720	0.7
161.02321	1.5
161.05984	1.3
163.04033	1.5
165.01888	1.2
167.03413	6.2
167.07053	1.7
169.06471	1.1
175.03912	3.9
175.07471	0.8
177.05479	1.7
178.07788	0.7
179.08580	1.3
181.05006	1.0
185.06003	2.7
187.03947	3.7
187.07448	1.0
191.03351	0.7
191.07062	3.6
193.04985	1.0
197.05988	1.2
202.16650	1.0
203.07031	6.8
205.04974	3.6
207.06497	2.2
207.08217	1.1
210.50380	0.7
211.07506	1.5
214.14342	0.7
215.08600	0.7
225.09151	2.0
229.08444	1.4
232.08913	1.3
233.04439	1.1
233.09393	0.8
235.07550	3.1
244.08752	1.0
247.07605	1.4
251.07182	4.0
253.08623	12.6
260.08255	1.8
261.08966	0.8
262.09900	1.0
263.07101	3.9
264.07706	1.3
265.12384	0.7
267.06534	0.8
269.08020	5.3
272.08429	1.1
275.07364	1.0
275.10654	2.9
277.08725	1.2
278.09375	1.7
279.06647	0.9
288.07767	1.1
289.08832	1.1
291.06555	4.8
293.11707	1.7
295.05997	1.3
302.05490	1.1
303.06686	1.2
303.10196	2.0
305.08002	1.6
306.08853	3.3
307.09689	1.5
316.07294	2.3
317.08057	3.5
318.05298	1.2
319.06027	9.8
321.11295	2.3
325.10846	1.5
331.09726	4.4
333.07648	5.9
334.08334	6.3
335.08966	0.8
345.07593	1.2
347.05356	1.0
348.10117	0.8
349.10703	24.9
350.11407	0.9
352.00757	0.8
359.09192	1.5
361.07016	1.4
362.07800	0.7
363.12311	0.9
365.14047	4.3
373.17734	0.8
377.10208	100.0
378.10599	6.2
381.13275	6.4
391.11703	2.2
391.19040	13.6
392.19241	0.8
409.12732	18.7
409.20419	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	409.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57196	0.2
67.05498	0.4
69.73074	1.7
70.15914	0.3
79.05459	0.3
81.03403	0.4
89.74963	0.3
98.34691	0.3
98.97614	0.5
109.06544	0.3
109.10159	0.8
115.03960	0.3
119.04718	0.3
151.07550	0.5
162.06535	1.0
173.05766	2.2
188.07205	0.3
203.05328	3.2
229.12027	8.3
229.14264	0.6
231.13603	0.7
247.13019	3.0
247.15097	0.3
332.56918	0.3
409.18356	100.0
410.18671	3.8
429.18304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64408	0.5
56.96566	0.9
69.07053	0.7
69.19901	4.9
72.06363	0.5
75.50848	0.5
77.15168	0.4
79.05485	0.8
81.03433	0.7
81.07060	0.7
84.96026	0.5
85.02905	1.1
91.05502	0.6
95.08578	0.9
98.97581	2.7
105.07031	0.9
107.08611	0.7
109.06534	1.0
110.97582	1.0
119.04714	0.6
119.08633	0.7
123.08013	0.6
127.03822	0.6
131.08600	0.5
134.06969	0.6
135.11687	0.4
145.12212	2.4
151.07581	2.6
162.06543	1.0
173.05777	0.8
179.03755	0.8
203.05275	13.2
203.07088	1.0
205.13252	0.5
219.01805	1.4
229.12054	2.8
237.02765	0.8
247.13063	7.2
273.43961	0.5
323.08023	4.8
323.11398	0.8
341.09113	2.8
365.08365	0.7
365.12106	1.9
409.10718	3.8
409.18338	100.0
410.18924	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	409.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
56.05044	0.7
56.96561	0.8
57.03431	1.2
58.06580	0.7
61.02917	1.2
69.03437	4.3
69.49839	1.3
69.50242	2.8
70.06606	3.6
71.04983	1.7
72.08157	1.7
73.02973	0.7
81.03403	1.9
82.02930	1.1
83.63196	0.6
84.04501	0.9
84.08147	0.9
84.96005	0.7
85.02900	6.7
86.09692	1.1
87.04467	1.0
91.05475	1.6
97.02901	3.6
98.97581	2.0
99.04456	1.0
109.02880	1.8
109.10184	0.7
110.06086	0.8
112.07593	2.3
112.20887	0.6
114.05534	9.6
117.06985	1.1
118.06547	16.7
119.01902	0.9
120.08060	1.4
121.10123	0.7
123.06697	0.7
127.03903	2.5
128.98630	0.9
130.08649	0.9
136.07570	1.4
137.02261	0.8
138.01761	0.6
142.05052	1.2
142.06459	1.2
142.08545	0.7
143.07271	1.3
144.08096	11.8
145.05029	1.0
146.06015	57.0
147.04410	1.0
147.06311	1.1
149.04576	4.9
160.07687	0.8
161.02989	1.0
164.07248	1.0
166.07251	37.2
167.05644	0.7
169.04982	3.9
170.04648	0.9
170.05988	3.9
172.09657	1.8
173.02962	0.7
174.07597	1.3
177.05446	0.8
180.02979	1.1
180.22363	0.6
181.98909	0.7
182.08136	0.9
188.07071	100.0
189.07402	0.9
197.02962	0.9
207.17232	0.8
213.12335	0.8
216.08755	1.4
219.01854	0.8
220.08318	0.7
237.02957	1.3
238.03787	0.9
244.08261	3.7
247.08453	0.7
310.17654	0.8
349.07645	1.2
350.12344	43.5
351.12878	1.0
365.12192	1.7
375.08694	0.8
381.13397	1.2
391.05853	1.2
409.10223	4.3
409.15631	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	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51384	1.4
83.98045	0.5
93.18650	0.5
98.20640	0.6
113.83145	0.6
121.02873	1.0
124.55836	0.5
125.09624	1.0
130.05687	0.5
133.81680	0.6
140.98602	0.6
144.50658	0.6
152.97093	0.5
201.03795	0.8
203.05278	28.1
229.12033	1.7
307.05899	1.0
325.07086	3.3
391.08328	1.1
409.09641	3.3
409.18362	100.0
410.18735	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	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
59.56897	0.4
60.71054	0.5
69.03423	0.5
69.28371	4.1
70.06573	0.5
79.05494	0.6
81.03413	0.7
81.07057	0.6
85.02956	0.4
86.09726	0.5
91.05530	0.4
95.08626	0.7
98.97582	1.1
103.91730	0.4
105.07038	1.1
119.04889	0.6
119.08605	1.1
121.02857	1.3
134.10387	0.4
136.07573	0.6
147.11653	1.0
160.07608	0.7
161.07996	0.9
187.05095	0.7
201.03716	1.0
201.06599	0.6
203.03430	0.7
203.05272	8.4
210.63638	0.4
212.13644	0.5
215.08122	0.9
229.12018	9.9
231.13600	1.0
239.08159	0.7
243.07703	0.8
247.10876	0.7
247.13132	0.9
261.08664	0.6
271.07388	0.5
285.08759	1.6
289.08231	1.1
295.06039	0.9
297.08633	0.5
303.09659	0.6
307.05862	0.9
307.09167	0.6
307.13931	0.8
309.07648	0.5
313.08270	3.4
315.09891	0.9
321.07703	1.2
325.07071	2.0
331.09277	4.4
332.07602	0.4
333.10806	0.8
334.08514	0.6
335.09317	0.8
349.10349	2.7
359.08716	1.1
363.08704	1.5
365.11823	0.6
377.09833	1.3
389.19217	0.5
391.07443	2.5
391.12415	0.5
409.10406	2.8
409.18347	100.0
410.18686	2.8
433.13953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
67.05487	0.3
68.44015	0.3
69.03429	0.5
69.07104	0.4
69.43701	2.4
73.26751	0.4
79.05502	0.5
81.03403	0.5
81.07050	0.6
83.04990	0.4
83.47820	0.3
85.02902	0.5
91.05466	1.0
93.03392	0.6
93.07055	0.3
98.97570	1.0
105.07038	1.0
107.08564	0.5
109.02895	0.7
109.06506	0.4
111.04412	0.4
119.04967	0.7
121.02887	3.5
124.07598	0.4
125.09595	0.7
127.03880	0.7
131.08589	0.3
135.04381	0.3
136.57932	0.3
137.05962	0.4
139.03902	0.4
145.02922	0.5
145.12996	0.3
151.03967	0.4
158.99681	0.5
159.04385	0.5
161.02357	0.5
161.05936	0.3
165.01996	0.4
167.45372	0.3
176.00964	0.4
179.03447	0.9
187.03860	0.4
189.01833	2.2
199.06085	0.4
201.03755	0.8
203.03513	1.2
203.05263	26.7
207.02864	0.9
211.16924	0.5
217.05043	0.6
219.06429	0.5
227.03400	0.4
229.12033	1.7
247.12985	0.4
267.06503	0.8
268.07315	1.0
279.06482	0.7
280.07074	0.4
281.08142	0.4
293.08124	0.4
294.05307	2.1
295.05951	1.5
296.06772	1.1
297.07669	1.5
305.08109	0.5
307.05997	5.3
308.06912	0.8
309.07532	0.6
319.05994	0.6
320.06805	0.8
321.07703	2.2
322.08362	0.4
325.07092	15.6
326.07382	0.4
333.07404	0.6
335.05573	0.4
335.09180	1.5
336.05991	0.5
337.07065	1.6
339.08615	0.4
349.07068	1.1
350.07819	0.7
351.08618	0.6
363.08774	2.5
365.11810	0.4
379.08139	1.6
391.08194	6.5
391.13702	0.8
404.78372	0.4
409.10098	13.2
409.18356	100.0
410.09839	0.6
410.18845	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	409.162
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03748	2.8
70.78925	0.5
107.09933	0.5
125.79572	0.8
128.93211	0.6
147.04468	0.7
149.02345	8.7
165.01889	1.8
167.03423	6.3
183.02985	1.0
183.18288	0.6
187.04004	1.1
191.07082	1.4
222.54520	0.6
251.07310	1.0
269.08118	7.2
269.10626	0.8
303.06592	1.1
306.09079	0.9
309.07758	1.5
319.09622	1.1
334.08359	0.8
337.10815	0.7
349.10895	2.5
363.08939	1.1
377.10529	2.1
378.10938	1.3
381.13406	4.2
391.19299	1.1
409.16443	100.0
410.16632	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	409.1284
Annotation	Thonningine B
Peak:m/z	Relative Intensity
65.03947	1.2
67.05476	0.8
68.51141	0.8
68.99794	1.9
69.51392	0.8
69.63023	2.0
69.63438	3.2
79.05480	2.2
81.07063	5.7
91.05461	2.6
93.07059	1.4
107.04950	1.9
107.08569	0.8
109.06506	3.3
121.06482	1.2
124.45564	0.8
131.01263	1.1
135.04443	2.5
145.06398	1.0
147.04413	28.9
148.05110	1.0
149.01163	1.0
149.02354	20.0
149.05986	2.4
162.03070	1.4
163.03947	1.2
165.01852	2.4
167.03404	11.8
173.05954	1.0
175.03937	4.7
176.04675	8.3
179.08411	0.9
187.03906	1.2
189.05476	2.7
191.07037	81.9
192.07373	1.4
197.05939	1.2
203.03485	1.3
203.07025	3.1
205.04887	1.2
207.06567	1.1
212.77257	0.9
216.04155	2.3
217.04964	2.1
219.06595	1.9
223.07501	1.4
231.06580	5.6
243.06631	1.0
251.07089	7.6
259.05997	11.3
269.08105	16.3
277.08832	1.2
283.09497	0.9
305.08115	0.9
308.06992	1.2
309.11206	1.9
319.05981	2.5
323.05554	1.1
323.09210	1.3
333.07550	2.3
335.09161	1.3
337.10770	1.6
339.12399	1.2
347.05469	1.5
347.09500	1.0
349.10748	3.3
351.08676	8.2
362.07724	1.8
363.08499	3.6
363.12494	2.2
365.10199	1.9
366.10965	2.4
373.17999	1.0
377.10297	2.2
378.11060	1.1
379.08060	1.6
381.13339	70.1
382.13693	3.0
391.18933	6.5
409.12830	100.0
409.19547	3.1
410.13235	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	409.1285
Annotation	Thonningine B
Peak:m/z	Relative Intensity
53.03940	1.1
55.01875	2.8
55.05507	2.3
58.54321	0.8
67.05499	2.4
68.99792	2.5
69.03428	1.1
69.07069	9.8
69.77184	0.9
79.05492	3.0
81.03423	0.9
81.07066	6.5
83.05620	0.7
83.08612	1.2
86.46375	0.8
91.05488	8.5
93.07044	6.3
95.04974	3.3
95.08620	3.9
95.17430	0.8
103.05476	3.0
105.03382	1.3
105.07043	9.0
107.04968	1.3
107.08608	4.2
109.06519	1.8
109.10159	3.4
111.11699	1.0
117.06998	1.7
119.04952	1.6
119.08591	6.1
121.02847	4.5
121.06484	1.2
121.10132	1.6
123.00826	1.2
123.04447	0.8
123.11692	3.3
129.65392	0.8
131.04906	4.4
131.08539	1.8
133.10159	2.0
134.43115	0.9
135.04419	1.4
135.11699	3.3
137.02354	1.8
141.01830	5.6
141.07022	1.0
145.10173	1.9
147.04424	3.3
147.11691	3.0
149.02333	4.0
149.05971	3.2
151.07588	1.3
157.10124	1.4
161.05954	1.7
163.03923	1.1
165.01845	77.4
165.09142	2.1
167.03397	3.7
175.03929	2.0
175.11229	1.4
176.04733	1.3
177.01889	2.8
177.05505	2.0
179.03384	3.4
183.02895	28.4
183.04506	1.5
185.13229	1.1
187.03958	2.3
189.05449	1.1
191.03481	1.2
191.07031	7.5
192.07669	0.9
193.04961	2.0
201.05392	0.9
203.03343	8.0
203.07048	2.5
203.14426	1.1
203.17964	1.7
205.04944	4.2
207.06543	2.6
217.04968	1.1
219.06506	2.5
221.04510	2.4
221.15446	2.0
223.07603	1.0
227.07002	2.4
231.06563	2.7
241.08560	1.1
251.07018	8.3
253.08704	1.8
266.78506	0.8
269.08096	31.0
270.00549	1.0
276.07767	0.8
281.08057	2.8
285.07693	1.8
287.12692	5.6
288.07846	0.9
291.06583	1.3
292.07263	2.7
293.08057	0.9
303.06516	2.2
306.05167	1.1
307.06500	0.8
307.09659	5.1
309.07578	5.6
309.10861	1.5
317.08026	2.5
318.05667	1.1
318.54285	0.9
319.06039	18.8
319.09653	1.8
320.06641	2.4
321.11139	1.7
323.12805	5.0
331.06009	1.3
331.73193	0.9
332.06787	3.0
333.07587	3.4
333.11172	1.1
334.08267	4.9
335.09036	2.9
335.12787	2.0
345.07495	0.9
347.05536	8.6
348.06281	5.7
349.10736	9.4
351.08575	1.9
361.07144	1.8
362.07816	16.8
363.08612	39.8
364.09042	1.6
365.14063	5.9
377.10138	10.8
378.11029	6.4
379.08026	6.3
379.12030	0.8
381.13321	8.2
391.11697	1.1
391.19000	9.7
394.10608	1.1
409.12805	100.0
409.20020	41.2
410.13040	3.2
410.20361	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1285
Annotation	Thonningine B
Peak:m/z	Relative Intensity
65.03931	0.8
68.99792	3.4
70.13084	3.0
79.05492	1.4
81.07050	5.1
82.46696	0.6
84.45068	0.7
91.05500	2.7
93.07056	0.7
105.07016	1.9
107.04971	2.1
107.57191	0.7
109.06521	4.1
109.10137	1.1
112.86091	0.7
119.04972	1.3
121.02907	1.0
121.06491	1.1
130.04144	0.7
131.01270	1.2
131.08530	0.7
133.06604	0.8
133.10115	0.8
135.04433	2.1
147.04419	27.7
148.05228	1.3
149.02342	22.7
149.06015	2.6
151.03874	0.8
153.05447	0.9
157.06467	0.7
159.04472	1.3
161.05931	0.8
162.03113	1.1
163.03941	1.4
165.01836	5.5
167.03412	12.9
175.03915	4.6
175.07622	0.9
176.04688	9.7
177.05476	1.4
178.06236	1.1
183.02966	0.9
187.03934	1.0
189.05452	3.3
191.07039	76.4
192.07521	1.4
193.05200	0.9
197.05936	1.1
203.03412	1.8
203.07101	2.7
209.93616	0.7
211.07538	0.9
216.04247	1.8
217.05060	2.0
219.06570	2.1
227.07051	1.3
231.06525	5.2
233.08089	0.9
235.05956	1.9
243.06451	0.8
251.07072	10.1
253.08775	1.7
257.08145	2.1
259.06012	9.8
263.07181	0.8
269.08105	17.6
271.13403	1.1
281.08414	0.8
291.06573	0.7
305.08011	1.1
309.07574	0.9
309.11133	1.2
319.06198	3.5
319.09525	1.2
320.10336	1.1
321.11508	0.9
323.05676	1.1
323.09259	1.9
333.07675	1.5
334.08572	1.3
335.09338	0.9
337.10696	1.2
339.12405	0.8
347.05573	1.1
347.09344	1.2
349.10834	2.1
351.08582	6.9
361.07071	1.1
362.07809	1.8
363.08588	5.3
363.12445	2.0
365.10287	3.6
366.10953	1.5
377.10150	1.9
378.10852	1.4
379.08084	2.4
381.13345	62.0
382.13614	2.3
391.19049	5.3
394.10321	1.0
409.12830	100.0
410.13022	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1283
Annotation	Thonningine B
Peak:m/z	Relative Intensity
55.01857	1.0
62.26357	0.8
67.05495	0.8
68.37685	0.8
68.99796	1.2
70.58249	2.8
74.09019	0.6
76.21969	0.7
79.05487	2.4
81.07034	2.4
91.05479	5.2
91.29121	0.7
93.03385	0.9
95.01318	3.2
95.04990	1.0
95.08556	0.7
96.80724	0.7
98.20819	0.7
103.05454	0.8
105.03391	2.3
105.07042	1.0
107.04959	1.7
109.06497	2.1
109.10088	0.8
110.03661	5.2
115.05468	1.7
117.07035	0.8
119.04951	1.5
119.08588	2.1
121.02870	0.8
121.06448	0.9
123.00745	1.2
124.05183	2.1
125.05998	12.4
128.06168	2.6
129.07034	4.3
131.08553	1.7
132.05719	0.7
133.02834	2.8
133.06493	1.0
134.03644	2.1
135.04437	1.6
139.07527	5.5
141.06917	0.9
143.08659	0.8
144.05711	2.1
146.03566	0.8
147.04390	1.5
147.08057	5.9
148.05127	0.9
149.02370	6.2
149.05988	34.2
151.03885	2.1
151.07558	4.5
153.05472	25.8
157.06483	3.2
158.07259	0.9
160.05190	2.5
161.02370	15.6
161.05978	8.7
162.03151	1.0
163.03915	5.4
165.01837	2.5
165.05493	2.9
167.03418	2.6
167.07048	29.9
169.04993	1.1
173.06039	0.8
175.03882	5.0
175.07541	4.1
177.05475	3.4
179.07010	1.9
181.04955	3.7
185.05975	8.9
187.03882	5.6
187.07536	2.3
191.06924	0.8
192.04193	1.2
193.04970	18.1
195.08133	0.9
197.06010	1.3
198.06779	2.2
201.05455	1.6
203.07031	100.0
204.07442	1.8
205.04967	36.5
206.05605	1.3
207.03003	0.8
207.06512	12.4
209.14597	0.8
213.05472	1.8
223.07576	1.4
229.08678	1.8
231.06584	3.0
233.04379	5.1
235.07518	0.8
239.06952	0.8
241.08585	8.4
242.31079	0.8
243.06512	6.2
251.05307	15.0
253.08722	0.8
257.08081	1.4
258.05270	1.0
262.67593	0.7
263.07068	1.8
269.08182	1.3
278.09552	1.0
291.06570	1.0
293.11700	1.0
305.08084	0.8
306.08887	1.1
318.05176	0.7
321.11057	2.2
325.14371	2.0
329.08066	0.9
332.06763	1.6
333.07547	3.2
335.09033	1.2
347.09161	2.2
348.09778	0.9
349.10690	3.0
351.08649	1.4
359.09030	1.0
361.07104	7.1
362.07907	0.9
363.12256	1.7
365.13821	2.2
373.10760	1.1
376.09457	2.7
377.10431	1.9
378.11050	1.1
381.13342	35.6
391.11789	24.9
391.18909	2.0
392.12326	1.1
409.12823	67.6
410.13284	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1288
Annotation	Thonningine B
Peak:m/z	Relative Intensity
55.01862	0.4
59.05006	9.9
62.37967	0.3
62.69147	0.3
67.05496	0.5
68.49413	0.3
69.03401	0.4
70.11585	1.3
76.24943	0.3
79.05477	0.8
81.07049	0.6
91.05460	1.1
93.07028	0.5
95.04969	0.6
95.08604	0.4
98.20766	0.3
105.03410	0.4
105.07038	0.9
107.04953	1.4
107.08566	0.8
109.06495	0.5
117.06970	0.5
119.04938	0.6
119.08603	0.6
120.05727	0.3
123.11544	0.3
125.05980	0.4
129.07010	0.4
130.04172	0.5
131.04938	0.7
133.02834	0.4
135.04411	0.7
136.01515	0.3
145.06424	0.5
147.04419	20.2
147.08044	0.4
148.05212	1.7
149.02368	1.0
151.07526	1.1
157.06422	0.4
158.03621	0.4
159.04456	1.2
159.08165	0.4
160.05128	0.4
161.02350	1.1
161.06000	0.4
162.03085	0.8
163.03909	1.3
165.11447	0.3
165.62416	0.3
171.04451	0.3
171.49347	0.3
175.03952	3.0
175.07559	0.9
176.04688	5.8
177.05318	0.8
178.06310	1.9
179.07008	1.8
181.04955	0.3
185.06119	0.4
189.05455	1.2
189.09111	0.3
191.07042	46.1
192.07356	0.6
193.04979	1.0
195.08034	0.3
201.05486	2.1
203.03384	1.6
203.07047	0.5
207.08183	0.4
213.05522	1.0
219.06534	2.5
221.06068	1.0
223.07555	0.6
227.07187	0.3
229.04855	0.6
231.06520	1.6
234.06799	0.8
235.07713	0.7
236.08432	0.5
237.05432	0.6
238.06244	0.4
243.06471	0.4
249.05481	1.0
249.09087	0.7
251.07018	1.7
252.07822	0.7
253.08620	0.9
261.05560	0.5
261.08963	0.3
262.06143	0.4
263.06924	1.8
264.07733	1.9
265.04950	0.9
265.08734	0.3
266.05750	0.7
267.06561	0.5
267.10178	1.4
269.07959	0.6
275.06937	0.5
277.04987	2.4
277.08542	0.9
279.06519	2.9
279.09708	0.6
280.07254	1.4
281.08160	1.0
283.09741	0.5
287.06982	0.4
289.08569	0.5
291.06549	4.0
291.09824	0.6
292.07269	4.0
293.04538	0.8
293.08185	1.1
295.09631	4.7
297.07535	0.5
301.08737	0.4
303.06653	1.1
304.07379	0.4
305.04431	1.2
305.08136	2.0
306.05353	0.6
306.08905	1.0
307.05997	1.5
307.09708	1.8
308.06854	1.8
309.07614	4.0
309.11069	0.6
311.09052	1.1
317.08127	1.0
318.05151	0.4
319.06039	6.2
319.09662	1.7
320.06708	2.0
320.10434	1.0
321.07571	1.9
321.11169	1.0
322.08380	0.7
323.09158	11.5
324.09500	0.6
325.14108	1.7
331.09692	0.9
332.10522	0.5
333.07608	3.4
333.11261	0.7
334.08398	5.9
335.09140	4.5
336.06265	0.8
336.09863	0.4
337.07077	0.6
337.10745	3.6
345.07590	0.9
347.05420	1.0
347.09174	3.2
348.09982	2.8
349.10699	12.0
350.07666	0.4
350.11472	1.1
351.08652	6.4
352.09070	0.5
353.14044	0.7
355.98914	0.3
359.09134	0.5
361.07040	1.6
362.07657	0.8
363.08606	9.5
363.12460	2.5
365.10226	5.6
366.10962	2.3
367.11761	0.8
376.09344	0.6
377.10217	8.2
377.14694	0.6
378.11005	8.6
379.07669	2.4
379.11905	1.4
381.13348	63.2
382.13641	2.1
391.11862	2.1
393.09778	0.8
394.10574	3.0
409.12830	100.0
410.13220	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1284
Annotation	Thonningine B
Peak:m/z	Relative Intensity
65.76421	0.7
67.05501	0.9
68.99777	2.1
70.79382	2.0
73.37090	0.8
79.05494	2.3
81.07052	6.1
91.05470	1.6
93.03316	0.7
105.07063	0.7
107.04958	2.8
109.06521	3.1
121.02860	0.7
130.04161	0.8
131.01294	0.9
133.06503	1.1
135.04413	2.8
147.04420	27.5
147.07904	0.8
148.05124	1.2
149.02351	22.8
149.05966	2.7
153.05496	0.9
159.04405	1.7
161.05998	1.6
162.03127	0.8
163.03949	1.3
165.01871	2.6
167.03381	13.1
172.47897	0.7
175.03934	3.7
176.04724	8.3
178.06273	0.8
179.06874	0.8
185.05869	0.9
187.03891	0.9
189.05476	3.9
191.07036	78.3
192.07491	1.2
193.05023	0.9
197.06001	1.0
201.05380	1.0
203.03329	1.0
203.07103	1.8
211.07562	1.5
215.03452	1.1
216.04370	1.3
217.05014	1.1
219.06548	2.5
231.06505	5.9
235.06058	2.7
239.07127	1.0
249.20171	0.8
251.07056	6.8
253.08540	0.8
259.06021	9.8
269.08093	17.1
270.08432	0.8
271.13263	1.1
295.09564	0.9
307.09579	1.2
309.11041	1.0
319.06049	3.0
323.05563	1.1
323.09158	1.8
333.07513	1.0
335.08954	0.9
337.10608	1.5
339.12372	1.2
347.05447	1.6
347.09219	1.9
348.06339	1.3
349.10693	1.7
351.08752	7.6
362.07745	2.1
363.08392	3.8
363.12466	1.4
365.10229	3.1
366.11072	2.5
367.11987	1.4
377.10202	1.3
378.10944	1.5
379.07993	1.8
381.13358	60.0
382.13736	1.6
391.19058	4.3
404.62473	0.9
409.12839	100.0
410.13272	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	409.1284
Annotation	Rubiginone I
Peak:m/z	Relative Intensity
54.93733	0.1
55.01852	0.4
55.53676	0.2
56.20321	0.1
58.90208	0.1
65.03949	0.2
66.00803	0.1
67.05492	0.2
69.54642	0.9
76.06198	0.1
79.05470	0.6
79.14370	0.2
81.07030	0.5
91.05486	1.6
93.07016	0.2
103.05470	0.2
105.03366	0.2
105.07010	0.3
106.04194	0.2
107.04980	0.8
108.05735	0.4
109.06479	0.5
115.05450	0.3
115.91705	0.2
117.07008	0.3
119.04928	0.4
121.02850	0.2
121.06478	0.6
125.05965	0.3
128.06242	0.5
129.06969	0.6
131.08580	0.5
133.02849	0.4
135.04407	0.6
136.05193	0.9
141.06937	0.4
144.05724	0.5
145.06465	0.6
146.03517	0.2
147.04411	2.1
147.07997	0.4
148.05215	0.8
149.02303	0.8
151.03911	0.4
151.07549	4.7
153.05434	0.4
153.06998	0.2
155.08585	0.4
157.06480	0.3
158.07167	0.2
159.04413	0.3
159.08040	0.6
160.05193	0.2
161.02379	1.8
161.05962	0.8
162.03113	0.6
163.03928	0.8
163.07498	0.3
165.01819	0.2
165.06909	0.2
167.03380	0.4
167.07053	0.3
167.08481	0.1
169.06512	0.2
170.07338	0.2
171.08003	0.9
173.05975	2.6
174.06709	0.2
175.03896	1.2
175.07552	0.3
176.04674	0.4
179.07051	2.5
179.08542	0.3
181.04933	0.5
181.06377	0.3
183.08031	0.6
185.05978	1.0
187.03893	1.6
187.07518	1.6
188.04663	0.2
188.08441	0.2
191.03381	0.5
191.07030	6.1
191.08743	0.4
192.94038	0.1
195.08075	0.4
197.05965	0.6
198.06731	0.4
199.07596	0.2
201.05446	0.2
201.09062	0.4
203.07033	3.0
203.08630	0.1
205.04874	0.3
207.06541	1.0
209.05807	0.2
211.07610	0.9
213.05440	0.3
216.26279	0.2
219.08035	0.2
223.07507	0.5
225.85687	0.1
227.06973	0.2
229.08626	0.6
232.08997	0.2
233.09651	0.4
235.07643	0.3
236.08305	0.2
237.05608	0.3
237.09036	0.2
239.07071	0.3
245.09706	0.4
247.07623	0.4
247.11084	0.2
248.08334	0.3
249.09111	0.3
250.06204	0.2
251.07053	0.5
251.10719	0.3
253.08575	0.7
255.06564	0.5
257.08142	0.5
259.11182	0.2
261.09079	0.5
262.10083	0.2
263.07031	0.4
263.10721	0.6
264.07809	0.4
265.04929	0.2
265.08646	0.2
267.06540	0.5
269.08017	0.4
273.09161	0.2
274.09967	0.3
275.07123	0.4
275.10342	0.3
276.08002	0.3
277.08615	0.7
279.06494	0.6
279.10123	0.9
281.08005	0.2
285.09183	0.3
288.11255	0.3
289.08698	0.7
290.09341	0.3
291.06644	0.3
291.10147	0.7
291.13333	0.2
292.07336	0.5
293.08255	0.4
293.11691	0.4
294.12613	0.2
295.06177	0.2
300.07663	0.2
301.08566	0.2
303.10126	1.3
304.11075	0.2
305.08011	0.8
305.11703	0.4
306.08752	0.6
306.12119	0.2
307.05991	1.4
307.09668	3.1
307.13168	0.3
309.07657	0.2
309.14771	0.8
311.09079	0.5
315.10098	0.6
316.10727	0.2
317.07968	0.8
318.08951	0.3
319.09772	1.0
319.13132	0.2
320.06949	0.2
321.07684	0.5
321.11179	3.6
321.14963	0.2
322.08453	0.3
322.11975	0.4
323.09039	0.4
323.12839	0.7
331.09668	1.4
332.10364	0.6
333.07721	0.3
333.11166	1.0
334.08234	0.3
334.12003	0.4
335.09143	11.3
336.09717	0.5
337.10831	0.2
337.14197	0.8
347.09518	0.2
347.12817	3.6
348.13324	0.3
349.10699	5.6
350.11493	3.3
353.13849	0.2
363.12494	0.2
365.13837	100.0
366.14224	4.0
370.91809	0.2
381.13284	1.4
391.18881	0.2
400.17624	0.2
409.12802	4.9
410.13019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1285
Annotation	Thonningine B
Peak:m/z	Relative Intensity
53.03946	12.8
55.01899	3.3
69.64363	13.2
78.41503	1.9
79.05489	3.1
81.03439	10.7
81.07050	5.5
87.43382	2.8
91.05475	8.0
93.07043	3.6
105.06980	5.2
107.04952	6.2
109.06528	3.7
109.10165	3.0
110.03663	8.3
115.05451	2.3
119.08595	3.6
121.02874	2.0
125.05980	10.3
128.06221	2.9
131.04892	3.0
131.08534	2.0
135.04437	10.8
139.03987	2.1
141.05463	3.5
141.07037	2.5
144.05725	2.3
145.06494	2.2
147.04408	6.7
149.02342	27.2
149.05969	2.6
152.06186	3.9
153.05473	8.1
153.06749	2.5
155.08510	2.2
157.06522	2.4
159.04431	5.9
161.02354	3.8
161.05963	4.8
163.03915	5.3
165.01859	19.1
165.07010	3.0
167.03419	15.2
167.08577	5.0
169.04994	7.2
169.06427	4.1
170.07251	3.9
171.04449	2.6
173.05894	5.7
174.06740	2.9
175.03978	4.8
175.07654	2.2
177.05446	2.5
177.20114	2.0
181.03380	3.1
181.04976	57.9
181.06342	2.4
183.02852	3.9
184.05179	4.0
185.05956	7.3
185.09683	2.6
187.03926	26.6
187.07500	10.1
188.04591	2.2
189.05542	2.3
191.07118	9.2
193.04971	4.1
194.05763	4.8
195.08003	13.5
197.06046	6.9
198.06776	11.2
199.07578	3.4
201.05527	3.4
203.07045	13.6
204.82683	2.4
205.04964	5.5
207.06575	7.5
211.07555	5.8
212.04811	3.7
213.05588	3.3
213.09113	42.6
223.07457	2.7
225.05435	5.0
226.06354	10.2
227.06940	3.5
229.08591	19.1
229.58131	2.1
230.20625	2.0
235.07547	2.3
239.07074	4.3
241.08612	93.0
242.09074	4.5
251.07050	11.1
257.08078	2.6
259.09677	30.1
263.07080	7.1
264.07767	2.2
267.06540	3.3
269.08124	28.7
273.07535	13.4
277.08698	3.8
279.10269	3.2
281.08124	4.0
291.06598	5.0
306.08832	3.9
316.07211	2.9
319.05875	4.1
321.07996	2.4
321.11182	10.4
333.07599	2.6
334.08411	5.9
335.09091	4.3
349.10818	11.9
351.08722	5.9
359.09106	2.4
362.07693	4.7
363.12460	4.4
365.13953	25.6
367.11737	4.1
377.10086	17.0
381.13367	47.4
382.13947	2.6
391.11758	9.8
391.18942	7.9
394.10498	3.6
409.12793	100.0
409.19821	16.3
410.13293	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1283
Annotation	Thonningine B
Peak:m/z	Relative Intensity
70.58809	1.0
79.05489	1.2
91.05500	0.5
94.96922	0.6
95.01311	0.5
95.04957	0.4
105.03373	0.9
105.06975	0.4
107.04960	2.4
111.23689	0.4
128.06190	1.0
129.07028	1.7
131.04980	0.4
133.06544	0.5
135.04427	1.3
139.05244	0.4
139.07568	0.4
141.07007	0.8
144.05652	0.4
147.04414	6.3
148.05211	0.6
151.03842	0.7
153.05562	0.8
153.06918	0.5
157.06537	2.3
159.04459	0.6
161.02394	0.6
161.05991	1.4
162.03171	0.5
163.03949	1.2
165.05566	0.8
165.06981	0.9
167.07080	0.5
169.06534	1.1
171.04404	0.5
173.05988	0.8
175.03917	1.6
175.07529	1.3
176.04706	1.9
177.05548	0.5
178.06271	1.8
179.07005	0.4
181.04933	0.6
181.06454	1.0
183.08041	0.7
184.05231	0.5
185.05946	3.1
186.06770	0.6
187.03940	1.6
187.07460	0.6
189.05510	1.0
191.07039	14.9
192.07684	0.5
193.04967	1.9
197.06024	1.5
198.06786	1.3
199.03908	0.8
199.07547	0.9
201.05542	0.5
203.07005	1.0
205.04877	0.4
209.05962	1.0
211.07439	0.6
213.05460	2.6
215.06924	0.6
219.08211	0.6
221.06096	0.6
222.06886	0.5
223.07477	0.6
224.08386	0.7
225.05383	0.9
227.06972	0.8
229.08510	0.7
231.08115	0.9
232.08914	0.5
233.09666	0.6
235.07536	1.3
237.05475	1.0
239.07179	0.5
240.07732	0.5
241.08592	0.8
242.05521	1.0
245.09691	1.0
249.05479	1.0
249.09238	0.9
250.06364	0.5
251.07019	0.7
252.07782	1.1
253.04836	0.6
255.06540	1.2
255.10245	1.1
257.08115	2.5
260.08350	1.0
261.09158	1.6
262.06433	0.6
263.07166	0.9
263.10565	0.6
264.04309	0.8
264.07858	0.5
265.04980	0.9
267.06476	2.5
268.07458	0.7
271.07559	0.5
272.08441	0.8
273.09036	1.0
275.07068	1.1
275.10611	0.8
276.07904	1.2
277.05344	0.5
277.08591	1.5
279.06610	2.3
279.09543	0.5
280.07541	0.7
281.04614	0.7
281.08087	1.0
283.06055	2.7
283.09689	1.1
287.07050	0.9
287.10785	0.4
288.07736	1.0
289.08597	1.4
291.06500	1.5
291.10147	2.1
292.07462	0.5
292.10971	0.6
293.04724	0.9
293.07932	0.8
293.11459	0.6
295.06021	2.5
295.09244	0.7
296.06772	1.5
297.07651	2.3
298.08377	2.0
299.09268	0.9
301.08514	1.0
302.09344	0.8
303.06512	2.9
303.10199	1.4
304.07538	0.7
304.10925	0.8
305.04794	0.8
305.08139	1.9
306.08820	1.0
307.06061	1.2
307.09708	1.2
307.13220	1.0
309.07535	2.7
309.11234	1.5
310.08163	0.5
311.05618	0.6
311.09149	12.9
312.09882	0.6
316.07336	1.1
317.08002	1.8
319.06277	0.8
319.09683	4.2
320.10590	1.2
321.07709	0.8
321.11240	1.6
323.09122	3.8
330.09076	0.7
331.06149	0.9
331.09686	1.7
332.10373	0.8
333.07571	1.6
333.11176	0.6
334.08292	1.9
335.09055	2.4
335.12827	2.5
337.10751	2.7
338.11435	0.6
345.07544	1.1
346.08334	1.3
347.09210	5.0
348.09958	1.1
349.10678	5.9
351.08640	2.0
353.13907	7.3
363.08533	2.5
363.12393	5.1
365.10147	0.6
377.10226	4.6
378.10925	4.1
379.11987	0.7
381.13348	100.0
382.13641	2.8
388.11902	0.4
394.10416	1.9
409.12833	43.7
410.13168	1.4
424.54919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1284
Annotation	Thonningine B
Peak:m/z	Relative Intensity
55.05512	1.0
64.10162	0.8
65.03935	2.6
67.05495	1.1
69.07046	1.2
71.46574	1.3
72.75157	0.8
79.05479	1.0
81.07057	1.1
91.05482	3.0
93.07078	1.0
109.10161	3.1
115.05477	0.9
119.04967	1.5
121.02902	2.1
121.06516	0.8
123.11712	1.9
127.11205	0.7
128.06171	1.2
129.07050	1.2
131.01297	3.1
139.07532	0.9
145.06470	0.9
147.04414	2.0
147.08069	0.8
149.02351	52.9
151.03935	1.6
151.07510	1.4
153.05489	0.9
157.06549	1.2
159.04430	1.0
161.02397	1.9
161.06041	1.3
162.09903	1.0
163.03928	2.3
165.14755	0.8
167.03416	34.1
167.07045	1.8
175.03912	3.6
175.07533	1.3
177.05421	1.0
185.06035	1.8
187.03925	10.7
189.05418	1.2
191.07056	3.5
193.05032	1.2
197.06041	1.3
199.07484	1.7
201.05545	1.5
203.07059	6.2
205.05000	2.4
207.06487	0.9
211.07669	1.1
213.05521	2.1
215.07027	2.2
219.06409	1.4
223.07550	0.9
232.08911	1.2
235.07713	1.4
237.05498	1.0
239.03394	0.9
245.09749	0.8
250.09787	1.1
251.03307	1.0
251.07057	10.4
253.08691	2.6
260.08270	1.6
261.08972	1.2
263.07059	4.4
264.04337	1.5
264.07675	1.3
265.04858	1.8
265.08621	1.0
267.09973	1.0
269.08093	28.5
271.13358	3.9
275.07089	1.3
276.07806	1.3
277.05002	1.4
277.08597	1.5
278.09467	1.6
279.06610	2.7
279.10211	0.8
281.08154	2.1
288.08008	0.9
289.08609	2.3
289.14215	5.4
291.06564	3.8
291.09784	1.6
293.04523	1.9
293.11655	2.5
303.06583	9.1
303.09933	1.5
304.07294	1.0
305.08090	3.2
306.08823	4.4
307.05981	0.9
307.09393	1.9
309.07565	7.7
315.06754	1.1
316.07431	2.1
317.08160	3.6
319.06128	1.2
319.09668	2.5
321.07785	1.4
321.11118	6.6
323.09146	1.3
323.12677	1.2
324.57324	0.9
325.14407	1.3
331.06058	2.0
331.09775	2.1
332.06723	2.0
333.07550	1.9
333.11099	1.0
334.08350	7.1
335.09210	5.0
345.07562	3.8
346.08362	3.8
347.09161	9.8
349.10715	19.1
350.11203	1.3
351.08624	3.4
363.08597	8.5
363.12384	1.3
365.10153	1.8
377.10226	16.2
378.10983	17.8
379.08179	3.2
381.13361	38.6
382.13663	1.1
391.11871	1.8
391.14252	0.9
391.19019	8.3
394.10803	2.0
409.12854	100.0
410.13058	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1288
Annotation	Thonningine B
Peak:m/z	Relative Intensity
55.01835	0.4
55.05473	0.8
56.96534	0.4
67.05457	0.9
69.03397	0.9
69.07019	0.4
79.05498	1.8
81.03368	0.4
81.07023	1.4
83.04945	0.6
85.06496	0.4
91.05483	4.2
93.06988	0.9
95.01303	0.4
95.04913	0.8
95.08540	1.0
97.02859	0.5
97.06501	0.4
103.05428	0.5
105.03336	1.1
105.07014	1.7
107.04958	2.7
107.08540	1.0
109.02879	0.5
109.10122	0.8
110.03604	0.4
115.05408	0.9
116.98608	0.3
117.07009	0.3
119.04896	0.8
119.08541	0.7
121.02801	0.5
121.06473	0.5
121.10126	0.5
123.04377	0.4
123.07990	0.4
125.05927	0.8
128.06247	1.8
129.07007	2.6
131.04855	1.1
131.08578	0.5
133.02840	0.6
133.06450	1.1
133.10133	0.8
135.04355	1.0
141.06932	1.2
143.08495	0.4
145.06470	0.9
147.04420	8.8
147.08014	0.5
148.05112	0.6
149.02290	1.0
149.05962	0.4
151.03845	0.6
151.07503	0.8
152.06166	0.5
153.05444	1.0
153.06955	0.5
155.06000	0.6
155.08575	0.5
157.06506	2.7
158.07211	0.4
159.04381	1.0
159.11665	0.5
160.05145	0.6
161.02339	0.6
161.05937	1.4
162.03075	0.4
163.03966	2.1
165.05481	0.5
165.06963	0.6
167.03348	0.5
167.06982	1.1
169.06467	1.0
171.04408	0.6
171.07957	0.6
173.05927	1.0
175.03896	2.1
175.07527	1.7
176.04704	2.7
177.05405	0.5
178.06290	2.1
181.05040	0.4
181.06454	1.6
183.04407	0.5
183.08018	0.4
184.05214	0.4
185.05980	3.8
186.06725	0.9
187.03911	1.6
187.07478	1.1
189.05464	0.9
191.07050	22.5
192.07626	0.5
193.05049	1.7
195.08032	0.5
197.05992	1.5
198.06723	0.9
199.03743	0.5
199.07518	1.4
201.05428	0.5
201.09160	0.6
202.07913	0.3
203.06978	1.8
205.04900	0.9
205.06636	0.4
209.05910	0.6
211.07486	1.5
212.04663	0.5
212.08261	0.6
213.05472	3.2
214.06061	0.8
215.06831	0.7
217.10159	0.4
221.05963	0.7
221.09457	0.6
223.07495	0.7
224.08269	0.8
225.05470	1.1
225.08984	0.4
227.06937	0.8
229.08585	1.5
231.08127	0.5
232.08873	0.6
233.09583	0.8
234.06639	0.6
235.07489	1.4
237.05380	0.8
239.06976	1.4
240.07697	0.4
241.04904	0.6
241.08562	0.7
242.05708	0.9
244.09006	0.5
245.09587	1.0
247.07556	0.8
248.08313	0.6
249.05510	0.5
249.09122	1.2
250.06253	0.6
251.07056	1.3
252.07767	1.8
253.04936	0.8
253.08679	2.9
254.05765	0.4
255.06274	1.6
255.10127	1.2
257.04343	0.7
257.08060	3.1
259.07510	0.7
260.08322	1.0
260.19711	0.4
261.09064	2.1
263.07010	1.2
263.10641	0.4
264.04117	0.4
264.07898	1.0
265.04901	0.5
266.05768	0.7
267.06567	3.3
267.09323	0.5
267.09949	0.4
268.07184	0.4
269.08023	0.4
270.08893	0.4
271.07486	0.5
272.08405	0.5
273.08990	0.9
274.09912	0.5
275.07104	1.2
275.10599	1.0
276.07938	0.8
276.11044	0.7
277.05154	0.7
277.08591	2.1
277.11374	0.4
278.09430	0.8
279.06531	2.7
279.09790	0.7
280.07269	0.7
281.04684	0.8
281.08029	0.7
282.05615	0.4
283.06046	3.3
283.09631	1.4
286.09668	0.5
287.07080	0.9
288.07730	1.0
289.08624	2.4
290.09122	0.5
291.06537	1.7
291.10141	2.7
292.07111	0.5
292.11090	0.4
293.04462	0.6
293.08023	0.7
293.11630	0.6
295.06058	3.4
295.09634	1.2
296.06793	1.2
297.07669	3.7
298.08371	2.1
299.09079	1.1
301.08612	1.2
302.06039	0.4
302.09409	0.6
303.06516	3.6
303.10165	1.5
304.07434	0.8
304.10938	1.2
305.04877	0.4
305.08057	2.0
305.11734	0.9
306.08899	1.4
307.06094	0.9
307.09671	1.4
307.13306	1.0
308.06808	0.5
309.04108	0.6
309.07593	3.7
309.11237	1.6
310.08331	0.3
311.09161	15.1
312.09448	0.5
315.06512	0.6
316.07254	1.3
317.08121	2.4
319.06036	0.5
319.09558	5.2
320.06870	0.5
320.10358	1.1
321.07635	0.8
321.11224	1.8
323.09152	5.2
329.08228	0.7
331.06055	1.1
331.09695	1.4
332.06766	0.7
332.10135	0.8
333.07541	1.3
333.11127	0.5
334.08426	2.5
335.09106	3.1
335.12805	3.7
337.10629	2.6
338.11530	0.6
339.08798	0.8
345.07510	0.9
345.11081	0.8
346.08362	1.0
347.09222	5.6
348.09897	1.1
349.10699	5.8
350.11444	0.8
351.08563	1.1
351.12357	0.4
353.13849	9.0
363.08539	2.8
363.12357	7.5
364.12518	0.4
365.09875	0.6
366.11005	0.6
377.10187	5.0
378.10989	4.6
379.07755	0.8
379.11923	0.9
381.13354	100.0
382.13632	3.5
391.19113	2.2
394.10580	1.3
409.12863	44.3
410.13150	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	409.1112
Annotation	Khellol glucoside
Peak:m/z	Relative Intensity
56.96569	3.6
71.33342	4.0
98.97594	13.9
101.98061	1.9
110.97557	3.4
112.99120	3.1
115.36563	1.8
119.85262	2.0
131.00127	2.5
143.00157	1.9
148.58563	1.8
158.99701	6.5
160.36427	2.0
177.00710	2.1
201.00708	2.0
207.56770	1.9
219.01859	8.3
237.02821	6.3
242.01605	1.7
247.04922	4.5
295.06912	7.1
349.08163	3.2
367.08994	3.7
409.11099	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	409.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49408	0.6
53.10549	0.5
56.96295	1.3
56.96567	20.3
69.03435	0.7
70.33153	1.0
70.33524	1.2
71.95249	0.8
84.96034	7.1
98.21426	0.7
98.97591	56.5
110.96820	1.2
110.97579	20.9
112.99138	10.4
115.00677	3.2
116.98634	13.6
124.99108	3.6
126.97025	1.4
128.98611	13.5
129.88800	0.6
131.00182	7.3
133.01750	6.0
134.99687	1.5
140.98599	4.3
141.02206	0.7
143.00180	8.1
144.98097	2.7
146.99660	2.5
149.01259	1.4
151.02779	2.4
152.98587	6.2
155.00145	1.3
157.01768	1.7
158.99673	13.6
159.03314	0.6
161.01198	6.2
162.99149	1.8
170.99666	9.2
172.97523	0.6
173.01285	1.2
175.02791	8.4
177.00702	8.3
179.02318	1.4
182.99655	1.8
185.01239	0.9
187.02843	2.0
189.00760	3.3
189.04260	0.9
193.03899	2.1
199.02806	0.8
201.00705	8.8
201.04373	1.0
203.02267	1.0
205.03874	4.0
211.02806	1.6
213.00723	0.7
217.03851	5.1
219.01779	47.9
223.04893	1.8
229.03874	3.0
231.01645	0.6
235.04880	2.1
237.02835	36.0
242.03305	0.6
247.04951	4.8
249.02959	1.3
251.04395	0.7
255.04106	1.0
259.04965	0.8
265.05893	0.6
275.04379	0.8
277.05945	27.9
289.05969	0.8
293.05396	1.3
295.07022	67.3
296.07526	0.9
318.08600	0.9
331.07120	1.7
349.08060	5.8
367.09088	2.1
373.07840	1.2
381.75836	0.7
386.13867	0.6
391.09229	0.7
409.10361	100.0
410.10471	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	409.1284
Annotation	Thonningine B
Peak:m/z	Relative Intensity
58.38807	0.8
58.81991	0.7
59.05002	5.3
69.83807	0.9
70.76615	0.9
70.76953	1.6
79.05489	1.7
81.07044	0.7
91.05475	1.6
105.07019	1.6
107.04966	1.7
128.06210	0.8
135.04390	1.1
137.36650	0.7
147.04417	12.1
157.06534	1.2
159.04538	0.8
159.08105	0.7
162.03085	0.9
163.03920	2.1
167.08409	0.7
174.06648	0.9
175.03963	3.2
175.07664	0.8
176.04634	4.9
177.55420	0.9
178.06290	2.0
179.07057	1.6
179.08534	0.7
181.06409	1.1
185.05939	1.5
187.04051	0.9
188.28391	0.7
189.05457	1.8
191.07039	27.2
191.08778	1.3
193.05014	1.5
199.07602	0.9
201.05399	1.0
203.03429	1.0
213.05421	1.9
225.05696	0.8
227.03603	0.8
235.07652	0.9
236.08351	1.0
237.05350	1.1
239.07222	0.8
247.07384	0.7
249.05745	0.9
249.08963	1.0
250.06339	1.0
251.07176	1.3
252.07732	1.6
253.08627	1.8
257.08157	1.1
261.09235	1.1
263.07059	2.0
264.07870	1.0
265.05054	0.9
267.06650	1.9
267.10068	1.4
269.08170	1.5
271.07434	0.8
275.06998	1.7
277.04962	2.1
277.08685	1.9
278.09323	1.0
279.06641	2.4
279.10181	0.9
280.07428	1.0
281.08029	1.9
283.06079	1.7
287.06790	0.8
288.07794	1.4
289.08569	1.5
291.06622	2.6
291.10046	1.7
292.07199	2.0
292.10690	0.8
293.08066	1.6
295.06009	2.0
295.09653	2.3
297.07544	1.4
298.08380	0.8
301.08868	0.8
303.06668	3.8
303.09781	1.0
304.07199	1.5
305.04645	0.8
305.08084	2.1
306.08875	1.4
307.06094	1.5
307.09683	2.1
308.07410	0.8
309.07581	3.4
309.11057	1.2
311.09091	5.2
316.07401	1.8
317.08054	3.2
319.06039	5.7
319.09708	2.8
320.06735	1.3
320.10275	1.6
321.07739	1.6
321.11273	3.6
323.09100	8.0
325.14459	0.9
331.09689	1.7
333.07547	5.2
333.11069	1.2
334.08356	5.4
335.09113	4.6
335.12790	1.6
336.05734	0.9
337.10739	3.6
345.07507	1.8
347.05438	1.1
347.09216	4.8
348.09900	4.0
349.06711	1.6
349.10660	12.6
350.11496	1.7
351.08594	4.2
353.13998	3.2
361.07312	2.2
363.08438	6.2
363.12357	4.3
365.10239	5.1
366.10925	1.3
377.10303	8.7
378.10919	6.8
379.07965	1.8
381.13358	71.5
382.13644	3.2
391.11810	2.2
394.10474	2.9
409.12830	100.0
410.13177	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	409.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.05507	1.0
56.96551	1.0
57.03439	1.1
60.08153	1.3
69.03430	1.3
69.07071	1.0
69.23098	5.1
69.23519	2.6
72.08150	1.2
77.68912	0.8
78.98388	0.7
79.05525	1.1
81.03415	1.2
81.07048	1.3
82.06577	0.9
84.08150	1.1
85.02901	2.9
86.09729	1.0
91.05479	1.3
93.07066	1.2
95.04943	1.2
95.08631	0.8
97.02869	1.1
98.20617	1.3
98.97591	2.0
99.04449	1.4
99.08101	0.9
105.07014	0.9
107.04930	1.3
107.08582	1.0
109.02875	3.2
109.06616	0.8
109.22398	0.7
111.04423	0.8
119.04948	0.9
120.08109	0.8
121.02857	1.2
121.06509	1.8
121.10139	1.1
122.06790	1.0
124.07561	0.8
127.03907	2.2
133.10219	0.8
138.09149	0.8
143.10669	0.8
149.05971	1.0
158.06039	1.7
161.05846	1.7
162.05469	1.0
165.05460	0.9
167.06976	1.1
168.04527	0.9
183.06627	0.8
203.05319	1.3
211.16954	1.9
214.05052	0.9
219.01837	0.7
227.05286	1.5
234.50757	0.8
261.02991	0.9
271.04248	5.6
295.06091	0.8
323.11035	9.2
325.07047	4.0
347.10959	1.1
365.12085	35.2
401.09579	0.8
409.11063	100.0
409.19562	4.1
410.11447	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	409.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
56.96567	25.4
57.03452	1.5
61.02928	1.2
65.04823	0.6
67.05502	0.7
68.74194	0.6
69.03434	4.7
69.74741	1.0
69.75151	2.6
70.06582	2.0
70.98082	0.9
71.04987	0.8
71.95262	2.0
72.08152	1.7
73.02905	1.8
81.03410	2.4
82.06573	0.9
84.08150	2.2
84.96043	5.7
85.02914	9.0
87.04462	1.1
91.03949	1.0
91.05479	0.8
97.02894	4.9
97.06525	0.7
98.09729	0.7
98.21490	0.7
98.97586	100.0
99.04464	1.2
99.97916	0.7
102.09177	1.2
107.47532	0.7
109.02898	1.8
110.97574	15.0
111.04405	1.1
112.07611	2.1
112.99149	5.3
115.00697	1.0
115.03936	1.1
116.98626	37.5
119.01868	1.2
119.04948	1.3
120.08080	0.7
121.02900	0.9
124.99124	2.5
126.09109	0.9
126.97053	0.8
127.00699	1.7
127.03930	2.5
128.98610	14.3
129.02199	0.7
130.08624	0.8
131.00159	5.4
133.01759	1.3
134.99673	8.0
136.07603	0.8
137.05991	1.7
140.00227	1.8
140.98605	1.7
141.02281	0.8
143.00182	6.0
144.98114	2.8
145.01714	3.6
145.04955	1.4
146.06073	0.9
146.99669	5.9
147.03288	3.4
147.04431	2.2
149.01219	3.9
152.98645	2.6
155.00163	0.9
155.04669	1.0
157.01724	1.5
158.99655	30.5
159.03239	3.9
161.01236	6.0
161.03027	1.4
161.04745	0.8
162.99124	1.6
163.02821	2.8
165.04340	1.5
167.07088	1.2
168.03326	1.1
168.98015	1.3
170.99655	7.6
171.03264	1.4
173.01283	3.2
173.04803	0.8
174.04442	0.8
175.02745	3.8
177.00719	24.5
177.04268	4.0
179.00356	0.7
179.02220	2.0
179.07043	0.8
182.99678	1.2
183.03291	1.6
185.01225	1.1
186.04440	1.5
186.99179	2.4
187.02788	2.2
189.00769	5.4
189.04280	3.6
191.02274	2.0
193.03859	1.2
195.01753	1.3
197.03130	1.0
200.02286	1.0
201.00714	6.6
201.04315	5.8
203.02238	3.5
203.04016	0.8
203.05969	1.6
204.05418	0.9
205.03767	3.2
207.01817	1.1
207.05539	1.2
209.01375	0.7
213.00748	1.4
215.02336	0.9
217.03815	1.6
219.01767	36.6
219.05385	2.8
221.03386	6.7
223.04921	1.7
227.06746	1.7
228.05537	1.3
229.03864	1.4
231.01834	1.3
231.05423	2.5
233.03429	0.9
233.06715	0.7
237.02815	37.4
239.04782	0.7
240.05605	3.3
242.03412	0.8
243.01807	1.0
243.05345	4.2
245.03468	0.9
247.01161	0.7
247.04829	8.0
247.16617	0.7
251.04500	0.9
253.03975	1.0
255.03809	1.3
261.02930	2.2
261.06454	1.2
263.04434	0.7
265.06003	2.6
269.05450	1.4
271.04718	0.8
275.04361	1.8
277.05951	1.9
279.03946	2.9
283.07947	0.8
288.14725	0.8
289.02847	1.1
289.05710	3.4
291.07523	15.6
293.05399	1.0
293.10748	0.9
295.07062	4.9
298.83038	0.7
303.07474	3.8
305.05606	1.3
307.03302	1.1
307.06900	1.5
309.08572	38.9
310.09149	0.9
321.08591	7.9
323.06543	4.1
331.07068	3.5
332.10226	1.7
349.08051	16.6
349.11563	0.9
350.08310	0.7
351.09772	0.9
367.09137	22.2
385.10446	1.1
391.09366	1.6
409.09653	8.2
409.15186	1.6
409.22296	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	409.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15541	0.9
51.58837	1.0
53.13346	0.8
56.22685	0.8
56.96566	23.1
69.03413	2.4
69.52660	0.8
69.55978	6.0
70.06596	0.9
70.98120	1.7
73.02877	1.4
80.49346	0.8
81.03410	1.2
84.96053	5.7
85.02894	3.9
85.60399	0.8
97.02884	4.0
98.20746	1.9
98.97589	100.0
100.49149	1.0
101.00863	1.0
110.97566	22.7
110.98315	1.1
112.99139	9.2
115.00710	1.4
116.98631	27.2
124.99110	2.3
125.99128	0.9
128.98618	16.3
129.05452	0.9
131.00206	7.2
133.01720	4.2
134.99614	3.0
140.98595	3.6
143.00201	8.4
143.01862	1.2
144.98050	3.1
145.01729	1.6
146.99648	5.9
147.03267	1.0
149.01167	1.2
151.02751	1.3
152.98599	5.6
154.96150	0.9
155.00188	1.7
157.01837	1.8
158.99658	31.1
161.01167	4.0
161.02937	1.6
162.99110	1.7
163.02744	1.3
170.99672	8.9
171.03281	3.4
172.94376	1.0
173.01305	2.1
173.06569	1.2
175.02800	5.5
175.93303	0.9
177.00720	18.3
179.02341	1.3
187.02737	2.6
189.00793	4.9
189.04381	4.6
191.02293	1.7
193.03886	1.8
195.01862	1.2
196.04190	1.0
200.07765	0.8
201.00681	6.3
201.04419	1.1
203.02393	1.1
205.03749	3.5
211.02843	1.8
217.03793	4.3
219.01779	45.5
219.05225	2.0
221.04927	1.1
223.04791	1.4
227.06531	1.0
229.03784	2.3
233.03366	1.2
235.04829	1.8
237.02835	41.0
242.03468	1.3
247.04895	3.0
255.03990	1.4
261.02811	1.7
269.05597	2.0
277.05930	20.7
279.03687	1.6
283.58969	1.3
289.05710	1.5
291.04022	1.6
291.07452	12.9
295.07028	44.2
296.07523	1.2
307.06866	2.0
309.08569	26.7
318.08527	1.2
321.08438	1.2
323.06586	1.2
349.08017	8.7
367.09177	4.7
381.06738	1.2
391.09000	4.3
409.10464	65.2
410.10883	1.7
427.11169	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	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65648	0.7
53.05168	0.7
55.05498	2.1
56.96573	1.3
61.02900	1.0
67.05501	1.1
69.03426	4.0
69.07065	1.2
70.06591	1.6
71.04991	1.2
71.36626	0.9
72.08147	1.7
73.02917	1.0
78.04712	0.7
79.05469	1.9
81.03419	2.3
81.07063	0.9
84.08118	1.6
85.02911	9.1
85.06555	0.8
86.91179	0.7
87.04436	0.7
90.29184	0.7
91.05488	1.6
93.07044	1.2
95.04964	2.1
95.08601	1.0
97.02910	3.4
98.97587	2.7
99.04459	1.2
101.06029	0.6
102.05558	1.8
105.07026	1.2
107.04948	2.2
108.04525	0.6
109.02906	1.3
109.06491	0.8
110.97592	1.1
112.07627	1.7
115.05450	1.2
116.98618	1.4
118.93693	0.8
121.06515	3.3
123.04419	2.4
124.05177	1.1
127.03906	3.5
130.08618	2.4
131.04945	1.3
133.06514	0.9
137.06000	1.2
138.05484	1.1
142.06532	3.4
142.08646	1.2
145.04967	1.4
147.04541	0.7
149.05994	3.0
151.03929	1.2
152.04762	1.1
158.05974	1.2
158.99696	0.9
160.04178	1.3
160.07600	6.2
160.09671	1.0
167.07054	100.0
168.07463	1.3
181.08614	3.4
193.08662	4.1
210.04442	0.8
211.09669	16.3
219.01895	1.0
224.06284	1.1
226.63698	0.8
229.10788	7.3
241.07452	0.8
246.11322	2.9
265.62454	0.8
271.04617	0.8
376.87778	0.8
408.12732	1.0
408.19589	3.8
409.11060	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59629	1.0
53.03941	2.5
55.01866	2.7
56.05035	1.5
57.03443	1.8
61.02926	2.0
67.05492	1.8
67.20169	1.0
69.03436	10.2
69.07067	1.6
70.06587	4.9
70.09077	2.0
70.09489	3.9
71.04977	3.5
72.08143	3.6
78.04696	1.2
79.05490	1.2
79.63343	1.1
81.03423	10.0
81.07041	2.6
82.06580	8.9
83.01344	1.5
83.04977	1.4
84.04543	1.1
84.08136	2.1
85.02913	14.8
86.06064	1.3
86.09711	6.9
91.05484	2.4
93.07039	2.0
93.09583	1.1
95.04975	1.3
96.04481	1.8
97.02888	6.3
98.00615	1.2
98.21452	1.3
98.97606	4.1
99.04446	3.7
102.05551	8.1
103.03931	2.3
103.05480	1.2
107.04959	1.7
109.02880	8.8
110.06046	35.2
111.04446	1.6
112.07611	4.3
114.05551	5.7
115.04005	1.2
115.05464	3.6
116.07101	1.9
120.04459	1.0
120.18195	1.2
121.06520	4.3
123.04447	2.2
124.07616	2.5
127.03923	36.3
128.07089	4.7
130.06511	1.4
130.08646	1.5
133.06474	1.3
133.44560	1.0
137.06000	1.1
138.05518	12.7
140.07062	1.4
142.03281	2.0
142.06531	15.5
143.07178	1.4
144.10110	1.1
145.04953	7.8
149.06023	2.3
156.06563	51.3
158.06143	1.3
160.04265	2.2
160.07591	32.5
161.06018	1.3
167.07050	100.0
174.07654	12.8
181.06348	1.1
181.08557	2.9
184.09656	1.2
185.16580	1.3
188.03848	2.5
193.08688	2.9
198.07663	1.3
211.09668	14.7
216.08601	2.0
218.02620	1.2
219.01767	2.0
229.10780	7.6
246.11493	1.9
264.08716	2.3
282.09741	3.7
284.11481	1.1
300.10794	13.9
318.11865	5.5
364.13828	4.6
387.15881	1.4
408.12854	7.1
408.17908	1.2
408.20160	1.0
409.10880	2.2
422.29297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68821	0.7
57.03432	1.5
69.03421	0.9
69.57239	1.8
69.57664	4.1
70.06594	100.0
71.06909	0.8
73.02916	1.7
81.03426	1.1
82.06570	0.8
84.23210	0.7
85.02915	5.4
95.01315	2.1
97.02882	1.2
98.21487	1.3
98.97580	1.8
109.02858	0.9
110.09729	1.0
112.07610	82.7
113.02323	1.1
116.07053	1.0
116.98593	1.0
137.05975	1.5
140.07060	17.9
141.01892	1.8
158.08118	2.2
158.99658	0.9
167.07092	1.3
172.09706	2.5
211.09784	1.2
214.10745	92.8
215.11089	1.5
219.01831	1.7
232.11790	12.4
232.13904	1.5
237.02858	1.0
256.11768	1.0
390.14063	5.2
408.15540	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16969	0.8
52.70226	0.9
56.96569	2.8
57.03432	3.0
65.22436	0.8
69.03418	1.6
70.06596	100.0
70.89063	0.9
70.89888	0.8
70.90229	1.5
71.01357	1.2
71.06928	0.9
73.02914	2.7
82.00592	0.9
82.06603	1.0
83.04946	1.0
84.08114	0.9
85.02915	7.8
93.12333	0.9
97.02884	2.8
98.97595	6.4
110.09679	5.7
110.97548	2.4
112.07612	87.8
113.02370	2.2
116.07099	1.9
116.98602	1.4
120.08136	1.7
126.09152	1.7
127.03930	1.1
127.05100	0.8
128.98642	1.2
137.05844	1.2
140.07069	20.6
141.01825	1.3
143.00154	0.9
158.08150	2.6
158.99646	1.5
160.09706	1.0
161.01270	0.9
167.07126	1.9
172.09718	1.6
177.00775	2.1
195.26617	0.8
201.00676	1.1
212.70930	0.8
214.10750	88.5
215.11052	1.7
218.58325	0.9
219.01833	3.4
232.11803	13.8
237.02838	2.9
245.06877	1.0
247.06418	2.3
309.08691	2.2
390.14038	3.8
400.77509	1.1
408.15619	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05514	14.9
55.70597	1.8
57.07088	12.0
66.21454	1.9
67.05509	25.0
69.07074	45.4
71.01559	3.0
71.01882	2.6
79.05499	15.2
81.07063	77.2
83.08625	14.8
91.00936	2.3
91.05486	13.5
93.07048	29.9
93.60582	1.7
95.04986	2.0
95.08614	58.5
96.08882	1.8
97.10168	8.7
105.07038	27.5
107.08604	39.4
109.10156	42.7
109.47037	1.8
111.11683	3.1
119.08582	30.6
121.10155	30.6
123.11739	24.5
125.13374	2.1
129.07085	2.1
131.08568	12.6
133.10150	22.7
135.11687	28.1
137.13278	9.4
143.08600	5.6
145.10138	24.4
147.11703	24.5
148.61531	1.9
149.13277	15.5
157.10109	9.6
158.10957	2.8
159.11699	30.3
161.13271	18.3
163.14906	11.7
171.11742	14.0
173.13272	19.6
175.14847	13.7
177.16393	7.4
183.11755	3.1
185.13249	9.6
187.14801	13.9
189.16441	8.0
191.17963	4.4
199.14830	5.4
201.16441	12.4
203.17976	7.3
213.16368	7.1
215.17952	11.0
217.19453	6.0
227.18033	11.4
229.19521	10.1
231.21143	2.8
241.19595	6.8
243.21133	5.5
255.21117	5.5
257.22763	7.4
267.10199	2.8
269.22653	6.0
271.24292	5.4
280.63263	2.1
283.24097	6.6
293.89188	1.9
297.25842	6.0
299.27359	2.8
311.27408	2.9
323.27289	3.5
325.28922	7.4
337.28925	3.3
351.30557	6.0
407.22137	2.6
407.36765	100.0
408.36929	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	407.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84403	1.6
53.03959	1.9
55.05513	16.9
57.07075	9.1
67.05508	27.3
67.32259	1.6
69.06712	2.9
69.07068	34.3
70.24976	6.2
71.08623	1.9
79.05501	13.4
81.07063	49.3
83.08622	23.1
91.05479	20.0
93.07051	27.9
95.08617	57.1
97.10183	10.2
98.37853	2.0
99.04482	1.9
105.07030	32.9
107.08605	39.0
109.10159	50.7
109.10917	2.5
109.14638	1.7
111.11718	4.5
117.07043	3.9
119.08589	36.6
121.10149	35.7
123.11701	19.0
129.06947	3.0
131.08598	12.5
132.47827	1.6
133.10135	24.1
135.11694	23.9
137.13245	12.8
143.08578	7.0
144.09389	2.0
145.10133	22.8
147.11713	23.6
149.13298	19.7
151.14801	2.7
156.09361	2.6
157.10085	9.1
159.11725	29.0
161.13266	20.6
163.14873	10.9
165.01859	2.5
169.10112	2.8
171.11702	13.3
172.12473	2.2
173.13269	16.6
175.14876	12.9
177.16449	7.7
182.07298	1.8
183.11778	2.5
185.13277	9.3
185.14700	2.1
187.14833	12.3
189.16385	7.4
190.20345	1.9
191.18063	2.1
197.13260	4.1
199.14882	10.5
201.16357	11.9
203.17929	9.4
205.19391	1.9
211.14896	4.6
213.16414	9.3
215.18019	10.5
217.19518	7.6
225.16396	4.1
227.18018	6.5
229.19482	5.2
231.21072	2.3
241.19499	4.3
243.21097	4.4
245.22424	2.3
251.07057	2.1
253.19591	2.9
255.21062	5.1
257.22656	6.8
259.24341	2.7
267.10199	6.7
267.21005	2.3
269.22705	8.0
271.24188	4.1
283.24277	5.0
285.25809	2.3
295.24332	3.7
296.05359	1.6
297.25833	3.0
299.27393	2.1
311.27383	3.9
323.27222	3.4
325.28726	3.4
337.29053	3.8
351.30441	7.0
365.32019	2.7
377.17688	3.3
407.10852	2.7
407.22104	16.3
407.36761	100.0
408.36948	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	407.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
55.05524	17.3
57.07066	7.2
59.11663	2.9
63.68379	2.8
65.03939	4.8
67.05506	34.1
69.03405	3.8
69.06769	3.3
69.07075	39.2
71.04996	4.1
71.57893	4.5
79.05503	22.0
81.07066	78.7
83.04969	3.8
83.08630	15.7
85.03007	3.4
91.04966	4.7
91.05495	65.3
93.07041	27.5
95.04956	8.2
95.08618	62.8
97.10152	7.0
103.05478	8.2
105.03382	5.1
105.07040	56.0
107.08602	38.3
109.06525	7.2
109.10162	66.4
111.11800	4.0
113.21433	3.4
115.05446	4.4
117.07010	14.5
119.08589	60.4
121.06500	9.8
121.10147	25.3
123.11703	42.9
125.13344	3.6
127.11176	4.3
128.06410	4.6
129.01955	2.9
130.07767	4.8
131.04919	9.1
131.08586	65.4
133.10127	27.8
135.11716	25.9
137.02272	4.8
137.06012	4.1
137.13200	3.4
141.01799	7.6
143.08568	7.3
145.10130	59.8
147.04451	3.9
147.11690	22.8
149.02364	9.0
149.09596	3.9
149.13249	11.2
151.03880	6.4
151.07567	4.0
151.11198	4.7
157.10106	9.1
158.82602	3.3
159.11697	26.7
161.13237	10.4
163.14847	4.2
165.01854	100.0
166.02209	3.1
166.08974	3.0
167.03384	5.5
167.08615	5.8
171.08015	4.4
171.11656	5.3
173.13295	14.1
175.14787	9.9
177.05453	16.8
177.16454	4.9
179.03413	14.8
183.02924	39.8
185.13158	5.8
187.14833	32.1
189.05557	4.7
189.16356	4.1
193.04999	5.0
199.14783	6.1
201.16405	48.0
203.03401	3.6
203.07080	9.8
203.17937	23.4
205.04996	27.0
207.06537	40.1
215.17978	11.6
217.19545	4.1
221.04390	4.4
223.07555	3.7
227.06917	5.6
227.17903	5.3
229.19585	3.7
231.06441	4.4
241.19579	7.6
243.06615	5.1
243.21017	5.5
247.06058	7.9
251.07069	35.5
253.08531	13.3
255.21074	5.9
257.08054	7.3
265.08621	5.7
267.06949	6.5
267.10175	28.6
269.08105	90.2
269.22806	4.0
270.08380	3.7
271.24185	4.2
281.08167	4.2
283.09656	7.6
283.16718	3.4
283.24203	7.1
285.07687	5.6
285.11133	4.8
289.08389	3.5
307.09625	6.9
315.19534	4.2
325.10742	5.9
335.13046	3.8
351.12146	6.7
365.32095	3.8
371.16364	7.3
389.17160	30.5
389.21039	5.5
407.11057	9.8
407.17691	30.3
407.23233	16.8
407.26505	3.9
407.36841	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.6
67.05504	1.3
70.37032	0.5
75.27330	0.5
79.05519	0.8
81.07060	0.9
91.05473	1.9
93.07028	1.1
95.04986	0.6
95.08615	0.9
97.27923	0.6
105.07032	1.2
107.08582	1.1
109.06496	0.8
109.10126	1.4
121.10184	1.0
131.08649	0.6
133.10165	1.0
141.04655	0.5
143.08568	0.7
145.80342	0.6
149.02353	1.3
149.09579	0.6
165.01845	3.2
167.03299	0.7
177.09102	0.9
183.02878	1.5
183.41948	0.5
203.07063	1.1
207.07904	0.5
210.60115	0.5
249.44421	0.6
251.07042	1.0
253.08662	0.6
260.46555	0.6
263.07022	0.7
267.06567	0.6
269.08157	2.2
281.08087	0.9
285.07578	1.6
287.12888	1.2
321.16766	4.9
333.10941	0.6
366.10385	0.6
389.17477	2.7
407.11569	2.2
407.24042	100.0
408.24677	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	407.2221
Annotation	Erythrophloin F
Peak:m/z	Relative Intensity
53.03958	1.1
55.05507	1.4
57.03424	0.8
57.07070	1.8
59.11282	0.6
67.05516	3.9
69.07079	3.8
71.08630	1.2
71.58447	0.9
71.58805	0.8
73.20766	0.8
77.03934	2.5
79.05493	2.0
81.07059	4.7
83.08634	1.1
89.06030	0.9
91.03351	0.7
91.05486	16.1
93.07053	2.1
95.04966	1.9
95.08610	3.8
95.73950	0.6
103.05441	0.6
105.03402	32.2
105.07052	4.0
107.08612	3.2
109.03838	0.6
109.10181	4.3
113.00025	18.9
115.05460	0.7
117.06989	1.0
119.08620	3.0
121.06544	0.9
121.10155	1.2
123.11700	1.5
129.07063	0.8
131.08598	1.5
133.02864	48.5
133.10106	1.2
135.11722	1.2
139.83891	0.6
141.06989	0.7
143.08598	0.9
145.10150	3.4
147.11676	1.2
149.02342	0.7
149.05933	0.9
149.13242	0.8
151.03929	1.1
152.06158	0.7
157.10077	0.7
159.11699	1.9
163.03917	72.7
165.01862	2.4
165.06955	1.0
166.07877	0.9
167.03389	1.6
167.08600	1.1
169.02640	18.0
171.11678	0.7
177.05432	4.9
181.04974	100.0
182.05370	1.2
183.02907	1.1
183.11600	0.6
189.05385	1.8
191.08636	0.7
194.07413	0.8
195.06451	0.6
197.06056	0.8
199.14980	0.7
201.16376	2.2
203.07082	3.7
203.18063	0.8
205.04980	3.5
207.06516	1.9
207.08174	0.7
209.09650	1.3
223.07515	1.1
225.08980	0.7
235.07581	1.3
237.09106	0.9
239.06946	0.8
239.10631	1.0
241.08670	0.8
251.06946	7.8
253.08684	1.4
254.01602	0.7
257.08044	0.8
263.07190	0.7
267.10178	15.1
269.08032	2.7
269.11914	0.8
279.09866	0.7
281.08127	1.1
283.09680	66.3
284.10059	1.5
287.16315	2.7
297.11194	2.1
325.10715	0.9
325.14252	0.8
389.17209	4.9
389.21774	1.2
407.10995	1.0
407.22284	15.7
407.34918	1.2
408.22495	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.222
Annotation	Adunctin D
Peak:m/z	Relative Intensity
50.01513	1.7
51.71577	1.3
53.03946	1.3
53.20246	1.4
54.16180	1.2
55.05510	3.5
58.60871	1.4
59.24911	1.4
65.03951	2.4
67.05526	7.0
67.41386	1.4
69.07076	6.7
71.05011	2.2
71.46860	1.8
79.05502	3.4
80.23438	1.4
81.07060	10.3
83.08591	1.6
91.05486	83.3
93.07034	5.9
95.04959	2.8
95.08594	10.6
97.06561	1.6
99.99049	1.6
102.46965	1.4
103.05459	3.5
105.03423	3.2
105.07040	12.9
106.25403	1.5
107.04934	2.3
107.08604	7.2
109.06482	1.6
109.10166	10.7
111.11686	1.4
112.08134	1.5
117.07016	2.9
119.04967	1.6
119.08567	9.8
121.06500	3.4
121.10145	5.1
123.11699	1.7
125.09640	2.0
131.01318	2.5
131.04945	3.9
131.08527	3.4
133.10135	5.0
135.11705	2.7
137.02393	1.4
137.09706	2.1
145.10136	7.5
147.11684	3.2
149.02354	26.4
149.13272	1.6
151.03876	2.0
153.07030	1.8
157.10121	3.3
159.04376	2.3
159.11710	5.3
161.05983	2.5
161.13301	2.0
163.03931	2.7
165.01839	10.9
165.06992	3.0
166.07796	4.0
167.03413	28.9
167.08562	2.6
173.13229	2.2
175.03947	2.5
177.05476	6.0
177.06944	1.8
179.08612	4.0
181.10138	5.6
183.02835	3.0
183.08055	3.1
185.13261	1.8
189.05547	8.4
191.08582	3.2
194.07259	2.7
194.26627	1.5
195.07939	1.9
197.06046	1.9
199.14822	1.7
201.05507	2.2
201.16397	4.3
203.07097	1.6
205.04921	6.6
207.06421	3.0
207.08174	2.5
209.09604	3.8
213.09174	2.3
215.17900	2.6
219.08101	2.9
223.07687	1.9
224.08208	2.5
225.09091	2.2
235.07387	2.7
237.09167	7.2
239.06992	2.1
239.10641	3.3
243.06564	1.7
249.09149	3.1
251.07071	12.0
253.08611	6.8
257.08090	2.9
265.05136	1.8
265.08594	3.2
266.07910	1.5
267.10190	100.0
268.10468	3.1
269.08035	9.6
269.11691	1.8
279.10226	2.0
283.06644	2.3
283.09607	12.0
285.07693	2.0
285.11288	3.3
304.41882	1.5
346.62497	1.6
371.16437	3.4
389.17203	7.5
389.21381	37.4
407.11005	3.5
407.17651	2.9
407.22455	18.4
407.26654	2.3
407.33115	2.6
426.83624	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.222
Annotation	Adunctin D
Peak:m/z	Relative Intensity
51.70314	0.5
55.01880	0.6
55.05512	0.7
65.03941	2.6
67.05491	2.6
69.07063	1.9
71.04984	0.7
79.05479	1.3
81.07056	3.5
91.05485	83.7
92.05836	0.9
93.07035	2.6
95.04987	1.0
95.08627	3.4
103.05469	1.8
105.03387	2.1
105.07027	7.0
107.04973	0.5
107.08608	2.3
109.10167	5.1
115.05489	1.4
117.07021	1.5
119.08575	4.3
121.06524	1.4
121.10149	1.0
123.11761	0.9
129.07005	0.9
131.04945	2.8
131.08609	1.5
133.10139	1.6
135.04491	0.7
135.11708	1.1
137.05962	0.7
141.06978	1.5
143.08607	0.6
145.06514	0.5
145.10117	6.0
147.11661	0.7
149.05966	1.1
149.09578	0.6
149.13310	0.5
151.03909	0.9
151.07579	1.0
152.06203	0.5
153.06998	1.0
155.08537	1.1
159.04422	1.4
159.11699	2.1
161.05995	0.8
165.01848	9.0
165.03247	0.6
165.06995	2.3
166.07796	4.0
167.08563	1.1
175.07544	0.6
177.05461	3.8
178.07764	2.5
179.03421	0.6
179.08557	4.6
181.06586	0.9
181.10156	3.5
183.02930	3.5
183.08092	0.7
189.05490	8.4
189.09122	1.0
190.07814	1.1
191.08601	3.5
192.04114	0.7
193.10191	0.6
194.07246	3.5
195.08072	0.7
197.09720	0.6
201.09026	1.0
201.16437	2.8
203.07063	1.5
203.10655	0.7
203.18022	0.9
205.04950	3.0
207.06477	7.8
207.08072	1.0
209.09578	4.9
211.11186	1.2
213.09155	0.7
215.10739	0.8
219.08017	1.2
221.09744	0.8
224.08328	1.0
225.09079	0.9
227.10587	0.9
229.08572	3.1
235.07607	0.7
237.09099	5.4
238.09825	0.5
239.10655	4.5
241.12207	3.5
247.29060	0.5
249.09154	1.6
251.07011	1.7
253.08685	0.7
265.08582	0.6
267.10175	100.0
268.10458	2.8
269.08093	3.9
269.11703	2.4
277.09103	0.6
279.13785	0.7
281.11719	2.1
281.15369	2.7
285.07547	2.3
285.11230	2.8
307.09833	0.8
307.13303	5.7
321.14850	0.9
325.14337	8.1
343.15451	5.6
385.13644	0.6
389.21207	16.0
407.17731	0.6
407.22238	11.6
407.36606	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	407.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.9
65.03927	2.4
65.80159	1.3
67.05502	7.3
69.07084	7.4
69.60584	8.7
75.59354	1.6
79.05492	3.5
81.07054	9.9
83.04950	1.9
83.08646	1.6
91.05489	76.9
93.07039	8.1
95.04921	1.8
95.08613	11.1
97.10246	1.8
98.20764	2.8
103.05482	1.5
103.43153	1.2
105.03389	2.2
105.07044	14.9
107.08584	7.3
109.10155	13.9
115.05453	1.9
117.07005	3.2
119.08590	11.7
121.06522	3.1
121.10099	5.0
123.11708	2.2
129.06943	1.3
131.04936	1.6
131.08569	4.4
133.10104	6.3
135.11678	6.1
137.13220	1.7
137.76637	1.4
141.06934	1.7
142.32663	1.8
143.08682	1.5
145.10161	9.6
147.11690	3.7
149.02296	2.6
149.13263	3.8
151.03841	2.4
153.06946	1.4
154.07756	1.7
155.08508	1.4
159.11700	5.1
161.05956	2.7
161.13280	2.6
165.01845	5.0
167.08533	2.5
173.13301	2.8
175.14824	1.8
177.05450	6.8
177.16406	1.7
179.08556	6.5
181.10144	3.9
183.07986	2.3
187.03845	1.4
187.14607	1.6
189.05490	8.2
189.16412	2.8
191.08563	2.7
195.07922	1.7
199.14867	2.0
201.16365	12.2
203.07063	4.5
203.17903	2.7
205.05020	5.6
207.06522	7.0
209.09636	2.9
213.08998	1.4
219.06441	2.5
229.08658	4.1
237.09103	4.4
239.10692	3.3
249.09117	2.9
251.07031	5.7
253.08681	3.5
257.08231	2.6
257.22589	3.6
265.08636	2.4
267.10184	100.0
268.10358	3.4
269.08020	6.6
269.22772	1.7
271.24350	1.8
281.11710	1.7
285.11224	3.6
291.10266	3.6
307.13171	1.9
309.11282	4.3
309.14828	2.0
333.14911	1.9
371.16534	1.7
389.17545	4.6
389.21429	31.2
407.11011	2.6
407.17545	2.6
407.22424	12.9
407.36761	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	407.222
Annotation	Adunctin D
Peak:m/z	Relative Intensity
55.05510	1.8
65.03941	2.8
67.05512	5.9
69.07067	6.0
70.39242	1.3
70.39573	1.7
79.05486	2.1
81.07058	7.5
83.08601	1.3
87.03066	1.0
90.40542	0.9
91.05486	92.1
91.10304	0.9
93.07023	3.2
95.04968	1.4
95.08614	6.8
98.20753	1.0
103.05496	1.6
105.03418	2.0
105.07033	6.2
107.08587	4.1
109.10164	10.1
111.38142	0.9
117.06992	2.0
119.08590	32.9
121.06474	1.5
121.10155	4.6
123.04457	1.0
123.11715	2.5
123.33595	0.9
128.06171	1.0
129.06973	1.3
131.04964	3.0
131.08594	2.7
133.10126	2.3
135.11662	1.3
137.13251	1.1
141.07033	1.2
145.10127	6.7
147.11652	1.8
149.02350	1.5
151.03862	1.5
155.08578	1.4
157.10132	1.0
159.11699	3.7
161.05998	1.3
161.13344	2.3
164.04727	2.3
165.01825	13.2
165.07043	2.6
166.07808	6.8
173.13234	1.8
175.07602	2.2
177.05484	7.1
178.07797	2.4
179.08582	3.4
181.10168	4.2
181.40999	1.0
183.02890	6.4
189.05493	11.6
189.16420	1.4
191.08594	3.8
192.04227	2.8
194.07332	3.1
195.08105	1.5
197.06145	1.2
199.14964	1.1
201.16414	8.3
203.07027	1.2
205.04973	7.3
207.06520	35.3
209.09595	4.6
211.11215	1.4
213.09193	1.5
215.17960	1.9
219.08118	1.8
224.08321	1.4
228.37811	1.1
237.09114	8.0
239.10710	3.8
249.09171	1.3
251.06950	1.7
255.10191	1.7
257.22702	1.6
265.08725	1.1
267.10181	100.0
268.10538	2.8
269.08115	13.3
269.11176	1.7
281.11761	1.7
285.11105	1.1
333.14981	1.5
389.16940	1.9
389.21530	7.4
407.11111	2.1
407.22223	55.4
407.36713	7.3
408.22516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.222
Annotation	Adunctin D
Peak:m/z	Relative Intensity
55.05511	2.0
65.03940	1.3
67.05508	2.5
69.07074	3.7
69.56597	3.1
75.96791	0.4
79.05488	1.3
81.07053	1.2
91.05488	71.9
92.05795	0.6
93.07055	2.2
95.04955	0.4
95.08612	0.9
99.53262	0.5
103.05482	2.6
105.03367	2.2
105.07028	3.5
107.08595	1.4
109.10161	3.8
115.05458	1.6
117.07037	0.5
119.08598	1.4
121.06479	0.5
121.10162	0.6
123.11745	0.9
128.71248	0.5
129.07002	0.6
131.04912	2.3
131.08571	1.1
133.10104	0.8
141.07027	0.8
145.10114	2.1
151.03879	0.5
153.07004	1.2
159.04410	2.2
159.11697	1.5
161.06006	0.8
165.01865	1.0
165.07063	3.0
166.07784	5.9
167.08485	1.0
175.07535	0.6
177.01854	0.5
177.05495	2.3
178.07776	2.8
179.03354	0.4
179.08588	4.7
181.06529	0.8
181.10129	4.9
183.07996	0.7
189.05482	12.3
189.06969	0.6
190.07784	0.9
191.08569	4.4
194.07347	4.0
195.08072	0.8
196.08778	0.6
201.16382	2.3
203.06975	0.9
205.04999	1.5
207.08096	2.4
209.05910	0.5
209.09642	5.7
211.11230	0.9
213.09099	1.0
215.08833	0.5
219.08113	1.7
221.09592	0.8
223.07602	0.7
224.08394	1.3
224.54889	0.4
235.07803	0.8
237.09128	7.2
239.10727	4.8
249.09155	2.1
251.07172	0.9
253.08649	0.7
255.10197	1.5
267.10184	100.0
268.10507	3.0
279.10126	0.6
281.08350	0.8
281.11765	0.9
285.11264	1.5
297.14523	0.5
305.11688	0.5
307.13223	0.8
309.14825	0.6
319.12994	0.7
323.12604	0.5
333.14761	1.2
351.15750	0.5
389.21188	13.0
407.22235	33.4
408.22403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
53.44094	0.6
53.62672	0.5
55.05479	1.8
57.07040	0.8
65.03924	1.2
67.05511	11.8
69.07079	5.2
70.91747	1.3
70.92097	0.9
71.08602	0.8
74.01904	0.6
79.05515	4.3
81.07059	8.6
83.08614	0.9
91.05482	15.7
93.07066	10.1
95.04931	1.4
95.08624	4.4
103.05438	2.2
105.07035	21.3
107.08607	9.4
109.06498	0.7
109.10164	15.7
113.78476	0.7
115.05428	1.5
117.07018	9.6
119.08591	48.7
121.05807	0.6
121.06532	9.0
121.10149	3.7
123.11759	0.8
128.06198	1.1
129.06967	1.8
130.07796	4.7
131.04947	0.7
131.08588	7.6
133.06441	1.9
133.10135	3.6
136.74289	0.6
137.06038	0.7
142.07634	0.8
143.08546	2.3
144.09369	1.3
145.10135	75.4
146.10518	0.9
147.11589	0.8
149.05956	2.8
151.03914	6.9
157.10100	1.1
159.10417	1.2
159.11707	16.4
161.06004	2.4
164.04712	7.9
165.01805	1.8
173.13248	1.4
177.05482	43.1
192.04198	6.8
193.04935	1.8
199.14832	1.4
201.09233	0.8
201.16411	40.2
202.16785	0.9
205.04980	48.2
206.05536	0.8
207.06544	100.0
208.06870	1.7
209.13341	0.9
212.76279	0.6
215.07062	0.7
219.06433	0.9
223.26247	0.7
236.28960	0.7
267.10168	7.6
269.08163	1.9
280.31824	0.7
285.11295	1.1
297.11307	2.3
299.12933	1.1
307.13354	1.5
313.14374	0.9
323.12909	2.0
325.14337	8.4
351.16000	1.3
389.17374	1.6
389.21732	0.8
407.22354	23.0
417.64639	0.7
427.58420	0.6
433.29007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1856
Annotation	2-geranylemodin
Peak:m/z	Relative Intensity
53.03930	2.5
55.01865	1.9
55.05499	2.2
57.34723	1.4
67.05508	9.7
69.03431	2.6
69.07054	6.1
70.11511	6.8
77.81959	1.5
79.05496	6.7
81.07072	9.8
83.08579	1.6
91.05485	18.2
93.07045	8.4
95.08603	5.6
96.20085	1.6
103.05468	1.4
103.21465	1.7
105.07034	21.0
107.04964	2.5
107.08598	10.9
109.06504	2.6
109.10156	15.3
111.09898	1.3
115.05460	1.8
117.07042	9.2
119.08600	36.9
121.06511	7.0
121.10144	4.8
123.11702	2.4
129.07034	2.4
130.07787	4.7
131.04930	1.6
131.08571	8.8
133.06477	2.0
133.10147	10.6
135.11687	1.8
137.09668	1.6
143.08542	2.4
145.10132	53.4
145.90201	1.5
147.49738	1.6
149.02364	9.4
149.05920	2.2
151.03906	5.9
151.07562	1.8
151.11179	2.5
155.30112	1.6
157.10153	1.9
159.11699	14.8
161.05984	3.7
164.04662	8.2
165.01842	4.0
165.06990	2.5
167.03418	10.2
167.07149	3.3
167.08553	8.9
177.05482	33.0
177.06883	2.4
187.03850	4.5
191.06938	2.4
192.04176	5.1
192.07877	2.4
193.04965	2.3
195.08089	5.8
197.02783	1.5
197.06050	6.9
201.16406	37.6
203.07037	4.3
205.04977	39.4
207.06543	70.4
211.07524	2.0
213.05344	1.9
219.06604	2.4
221.02969	2.7
223.07555	11.2
229.08531	3.0
235.07573	2.1
251.07057	100.0
252.07382	1.9
253.08557	3.0
257.07986	3.1
265.08636	1.8
269.08154	13.8
271.06079	8.1
273.07675	2.1
287.10660	2.7
297.11154	1.9
297.23541	1.6
307.09692	3.1
313.10721	2.1
313.14224	2.2
322.12021	3.0
323.12924	1.7
325.14410	5.6
332.60852	2.7
340.12872	6.5
349.04886	1.8
371.16330	4.2
389.17453	35.2
406.63223	2.6
407.10922	4.9
407.18381	3.3
407.22528	21.5
415.64124	8.9
416.13892	5.3
425.14697	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	407.1855
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
50.93988	0.3
51.28599	0.3
51.90019	0.4
55.01872	2.6
56.69787	0.3
59.04987	0.5
67.05487	0.6
68.99791	1.3
69.03419	0.9
69.07066	0.5
69.87109	1.6
79.01858	0.6
79.05481	0.5
81.03419	0.9
81.07036	1.1
89.73171	0.3
91.05477	1.7
92.99760	0.5
93.07065	0.7
95.08590	0.4
97.02905	0.8
98.20805	0.5
99.00804	0.8
103.05466	0.4
105.07026	0.8
107.08597	1.4
109.06554	0.4
109.10188	0.7
119.08588	0.9
121.10202	0.3
123.00782	1.8
125.09634	0.6
131.04945	1.0
135.11713	0.6
137.02322	2.4
141.01828	5.7
145.10190	0.7
147.04402	0.7
149.02362	0.3
151.03912	0.3
151.11186	1.8
159.11694	0.4
165.01845	100.0
166.02155	1.0
177.05450	1.4
183.02899	30.7
189.05484	0.4
190.69017	0.3
191.03456	0.4
201.16391	0.9
205.04935	1.0
207.06496	0.7
227.07004	2.5
251.07016	0.4
251.80051	0.4
267.10074	0.9
269.08099	87.7
270.08459	1.1
287.12738	1.0
303.12363	0.7
389.17386	1.8
407.11011	0.4
407.17950	2.9
407.22977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1856
Annotation	Flemiwallichin D
Peak:m/z	Relative Intensity
53.00300	0.6
56.96560	0.8
64.12049	0.6
65.03934	4.2
67.05498	2.1
69.07052	1.2
71.57889	0.6
79.05475	1.4
81.07067	3.6
89.11494	0.5
91.05478	2.2
93.03393	3.7
93.07050	2.0
94.65214	0.6
95.01334	0.6
95.08600	1.6
105.07051	1.1
106.48748	0.5
107.04913	0.5
107.08573	1.4
107.21421	0.5
109.10146	3.4
119.08542	1.4
121.02876	3.7
121.10143	1.0
123.11704	1.5
131.01303	6.7
131.04839	0.5
131.08588	0.5
133.10133	0.7
135.11745	0.7
137.05994	1.0
149.02347	100.0
150.02629	0.9
163.03918	3.4
165.01778	0.6
167.03407	81.4
168.03719	0.9
175.03987	0.7
189.05493	1.5
191.03334	0.5
191.07065	1.9
203.07005	2.7
215.07010	1.9
251.06947	1.0
263.80676	0.5
267.06543	4.3
269.08026	0.8
271.13345	4.2
271.87857	0.5
285.07590	63.7
286.07941	1.4
325.10638	2.8
327.12305	1.4
339.12320	1.5
351.12372	1.3
376.25980	0.8
389.17578	1.9
407.11227	1.1
407.18661	8.1
407.24054	1.3
407.35980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1856
Annotation	2-geranylemodin
Peak:m/z	Relative Intensity
55.01888	0.5
65.03934	3.8
67.05506	3.7
69.03417	1.6
69.07073	1.4
70.67843	1.6
79.05485	1.2
81.07056	3.1
91.05503	4.5
93.03412	1.7
93.07046	2.0
95.08583	1.6
105.07044	3.3
107.08598	3.3
109.06521	1.3
109.10162	4.9
114.27966	0.6
117.06989	1.0
119.04949	4.8
119.08595	7.4
121.02881	3.1
121.06490	3.0
121.10149	1.5
123.08109	0.6
125.09622	0.5
129.07011	0.7
130.07855	0.9
130.46127	0.5
131.01283	5.2
131.08560	1.6
133.10136	0.8
143.08557	1.1
145.10130	11.0
147.04413	31.7
147.11748	0.6
149.02347	100.0
150.02669	0.7
151.03909	1.5
151.11183	2.6
159.11728	2.7
163.03909	1.8
164.04662	0.6
165.01825	1.6
167.03410	67.5
168.03654	0.7
177.05467	7.1
189.05502	1.1
192.04280	0.9
193.04922	0.7
201.16380	7.6
203.07031	0.8
205.05005	6.9
207.06538	12.6
213.73323	0.5
221.04515	0.6
251.07039	1.5
257.08072	0.6
269.08099	41.6
269.11359	1.4
270.08517	1.0
279.93872	0.6
283.06119	0.7
285.07422	0.5
287.12799	11.2
305.13815	1.9
325.10422	0.6
325.14020	1.0
351.15616	0.6
389.17432	2.3
407.11148	2.2
407.17929	9.8
407.22437	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1858
Annotation	Cycloaltilisin 7
Peak:m/z	Relative Intensity
55.01872	2.0
55.05512	2.2
56.96576	1.0
65.03950	1.2
67.05515	6.0
68.99788	2.4
69.07056	5.2
70.68806	2.2
70.69181	1.5
77.25346	0.9
79.05490	3.0
79.95308	0.9
81.03442	2.1
81.07072	12.3
81.20709	0.9
81.82241	1.0
91.05492	11.1
93.07066	9.3
93.07593	1.4
95.04962	1.3
95.08630	2.0
105.03423	2.1
105.07029	3.4
105.91247	1.0
107.04892	1.1
107.08569	6.8
109.06542	1.9
109.10178	11.9
109.39833	1.4
115.05443	1.1
116.16608	0.9
119.04981	1.7
119.08595	2.4
121.06509	2.8
121.10178	3.0
123.00801	1.6
123.11699	3.2
127.93542	1.1
131.04912	2.2
133.10146	1.5
135.11665	4.7
137.02345	2.6
141.01820	5.6
147.04396	4.0
149.02350	4.2
149.09648	3.2
151.03955	0.9
153.01820	1.4
161.02287	1.7
165.01855	100.0
165.06985	1.5
166.02205	1.3
167.03436	3.8
167.08687	1.9
175.03929	1.0
177.01799	1.0
179.03416	7.5
183.02895	31.5
191.03447	4.6
193.04967	3.5
203.03404	1.5
203.07132	1.3
205.05020	3.6
207.06516	6.4
207.08223	1.2
211.07516	1.4
219.06543	4.6
223.07784	1.2
231.06519	4.4
239.07077	3.3
239.10718	2.2
243.06554	2.0
251.07060	5.4
253.08624	1.8
257.08148	1.9
263.07031	1.7
265.08694	1.3
267.06644	6.2
267.10214	6.4
269.08124	5.3
281.08118	4.8
283.06067	6.3
285.07614	66.0
287.12851	9.3
289.08694	1.2
291.10098	1.5
299.09109	1.4
303.11975	1.3
307.09668	2.2
323.12521	1.2
323.82483	1.1
325.10760	4.4
327.12360	3.1
339.12756	1.1
343.16721	1.1
345.14832	2.3
346.50586	1.2
351.12366	2.5
371.16278	1.9
389.17490	29.7
407.13651	1.9
407.18381	23.6
423.08618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1856
Annotation	Flemiwallichin F
Peak:m/z	Relative Intensity
55.01872	4.9
55.05509	3.3
57.07071	1.9
58.99349	1.5
67.05495	5.8
68.99778	3.1
69.07060	6.8
69.60693	9.4
79.05493	6.2
81.07053	18.5
83.04973	5.6
91.05482	8.4
93.07049	3.7
95.04974	3.3
95.08604	4.6
95.90231	1.5
99.00803	1.6
100.05803	1.5
103.05492	7.7
105.07024	6.5
107.04948	2.6
107.08605	6.9
107.48488	1.8
109.06521	5.6
109.10168	9.4
111.04473	3.7
117.47095	1.7
119.08554	2.7
119.16740	1.5
121.02887	2.2
121.10153	3.9
123.00825	2.2
123.04455	1.8
123.11720	21.1
127.69395	1.5
131.04916	20.5
131.08586	1.8
133.10136	6.4
137.02341	3.8
139.11269	1.7
141.01805	4.2
141.33969	1.7
149.02338	6.6
151.11230	11.7
153.01843	9.2
163.03908	3.4
165.01846	100.0
167.03412	2.6
169.05034	2.1
173.06001	2.0
175.03972	2.3
177.01871	5.8
179.03406	10.8
181.01373	2.8
183.02902	27.3
191.03416	16.3
193.04965	26.1
197.00757	2.3
201.05338	1.7
203.03429	12.5
205.05016	6.1
211.03963	1.6
217.05025	2.9
219.06407	2.3
221.04459	40.1
227.07094	2.6
229.04964	1.9
231.06520	3.2
235.06078	1.9
243.06563	8.4
247.06050	2.9
251.07083	3.9
257.08072	17.5
269.08118	50.5
281.08139	4.2
283.06049	28.3
283.09497	2.3
285.07922	2.5
285.11142	20.9
295.09665	6.2
297.11218	2.5
303.12262	30.7
307.09775	4.9
321.11026	2.4
325.10699	67.8
333.11371	2.6
338.99921	1.7
347.12842	3.1
389.17444	35.7
407.18573	85.7
408.19116	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40925	1.2
53.03954	1.3
55.01869	2.1
56.17345	1.5
56.27189	1.4
56.87225	1.5
56.96543	1.7
63.68425	1.4
67.05503	3.6
69.07074	1.5
69.85572	6.3
70.06578	2.9
72.08138	4.2
79.05477	1.9
83.04994	1.8
83.08620	1.9
84.08131	2.3
84.96014	2.0
85.02909	4.2
85.06561	1.5
86.09705	5.1
91.05489	3.2
94.06571	2.0
95.08618	3.1
97.02898	2.0
98.97586	13.7
105.07055	2.4
107.08617	2.0
108.04461	3.1
109.10117	1.9
112.99148	2.6
116.98573	2.9
120.04491	6.1
120.08147	1.8
122.06042	2.0
127.03919	1.9
129.10239	2.2
131.00146	3.4
136.07594	2.3
137.05931	1.7
138.05466	8.0
138.09100	1.7
141.09099	2.1
145.04935	1.7
147.07874	1.9
150.05510	2.4
152.07054	1.4
154.05080	2.6
157.52237	1.6
158.99690	9.0
160.07547	1.6
173.01196	4.7
177.00781	3.8
178.05013	10.9
188.03493	12.1
191.02312	3.5
196.06055	5.4
199.08714	2.1
206.04410	2.5
210.09126	1.7
211.08644	2.8
212.09306	2.0
213.10228	4.5
217.09755	1.8
219.01767	3.9
223.08669	4.6
224.09503	1.9
225.10161	2.2
226.08652	2.0
227.08276	15.1
227.11734	2.0
228.10406	1.7
229.09808	2.9
237.10185	12.8
238.08688	3.2
239.08170	1.8
239.11748	4.2
241.09703	17.6
243.11340	2.6
245.09319	2.8
251.08255	13.5
252.06496	1.6
252.08792	2.3
253.09718	2.0
254.08099	2.0
255.07715	9.3
255.11385	2.2
257.12854	1.7
265.09723	16.5
266.07980	2.5
266.10559	3.2
267.11279	5.4
268.09665	3.1
269.09216	43.1
271.10886	3.1
272.09088	2.6
273.08722	16.2
279.07690	20.3
280.08447	2.1
283.10736	9.3
284.09265	4.2
285.12625	3.2
287.10220	4.2
293.09259	27.6
297.08713	61.3
298.09137	2.2
302.10263	2.1
305.11282	2.4
311.10220	8.9
312.08752	2.2
313.11813	4.8
314.10339	1.7
315.09781	29.7
316.10425	1.6
317.11319	2.1
321.05234	2.0
321.08746	13.8
325.11880	8.9
329.11295	9.4
333.10822	24.5
339.05914	2.9
339.09793	40.2
340.08234	1.8
343.12918	10.0
345.10870	3.1
347.12454	2.8
357.10846	19.9
358.09232	1.8
363.10495	4.4
371.12399	18.9
375.11877	8.1
389.13458	100.0
390.11511	3.4
407.09216	6.0
407.14471	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.113
Annotation	Hoslundin
Peak:m/z	Relative Intensity
55.01868	0.6
55.05509	0.4
56.96558	0.6
67.05493	0.8
68.01530	0.4
69.07079	0.7
71.04992	0.4
71.57852	0.3
71.58253	0.4
79.05486	0.8
81.07060	1.5
85.02932	0.4
91.05468	1.3
93.07058	1.0
95.05006	0.4
95.08617	1.6
96.61159	0.3
97.10179	0.3
103.05492	0.3
105.03409	0.4
105.07063	1.1
107.04956	0.6
107.08614	1.2
109.10159	0.9
115.05444	0.4
117.07001	0.5
119.04980	0.4
119.08572	1.1
121.10161	0.7
125.09699	0.5
129.07016	0.4
131.08585	0.4
132.05701	0.3
133.10146	0.6
135.11696	0.3
137.05991	0.4
143.08568	0.5
145.06441	0.4
145.10136	0.9
147.04346	0.9
147.11729	0.4
149.05980	0.5
149.62346	0.3
157.06447	0.4
157.10156	0.5
159.11639	0.4
165.07071	0.4
167.08504	0.5
171.04420	0.4
171.11682	0.3
175.03917	0.4
178.87662	0.3
179.03397	0.4
179.07043	0.3
179.08658	0.3
181.06531	0.4
183.11739	0.3
185.06052	0.6
187.03897	1.3
191.07054	1.1
197.05986	0.7
201.05435	0.4
205.04909	0.5
205.67853	0.3
223.07462	0.5
227.06981	0.4
235.07742	0.6
237.05530	0.6
238.06184	0.4
239.07150	0.4
247.07649	0.6
251.07088	3.1
252.04196	0.4
253.05070	0.9
253.08412	0.3
257.08075	0.5
261.05560	0.4
263.07034	0.7
265.05023	1.5
265.08414	0.3
266.05725	0.6
267.06595	2.1
268.07333	0.6
275.06873	0.4
276.07782	0.7
277.05191	0.6
277.08640	0.9
279.06503	1.1
279.09723	0.5
280.03699	0.3
281.04471	1.0
281.08203	0.4
285.07687	0.4
287.07156	0.5
289.05359	0.4
289.08701	1.1
291.10245	0.5
293.04501	2.3
293.07816	0.6
294.05283	0.5
295.06006	0.9
296.06812	2.5
301.12216	0.4
303.06613	0.8
304.07297	0.8
305.04492	1.7
305.08093	1.4
306.05426	0.4
307.06049	1.1
307.09656	1.4
307.12982	0.4
309.03888	1.0
309.07599	1.8
310.08127	0.6
311.09192	1.1
316.07483	0.4
317.04630	0.6
317.08118	1.8
318.05228	0.4
318.08789	0.5
319.06119	0.6
319.09723	0.5
321.07602	1.3
322.04718	0.8
322.08487	1.0
323.05420	0.4
324.06357	1.7
325.07132	0.8
331.06158	0.7
332.06833	1.5
333.04013	0.6
333.07556	3.0
334.04642	0.6
335.05576	0.5
335.09161	3.6
336.09781	0.3
337.07089	2.4
338.07794	1.0
339.08643	2.2
343.05984	0.5
345.07520	2.1
346.08246	0.6
347.09195	1.0
348.09872	0.6
349.07089	6.6
350.07758	0.8
351.12314	1.7
361.07098	4.5
361.10922	1.0
363.08710	2.2
364.09543	1.0
375.08673	0.9
376.09113	1.4
377.10263	0.7
379.11801	8.9
389.10275	2.3
389.17471	1.8
391.07974	0.4
392.08829	0.6
407.11301	100.0
408.11826	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	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
57.07069	2.3
67.05499	8.8
68.64878	1.9
69.07074	2.1
70.73089	5.7
71.04987	6.7
72.08194	2.2
79.05497	9.4
81.03406	2.4
81.07049	3.9
83.04980	4.3
85.02903	15.9
85.06068	3.7
85.06549	59.1
91.05482	6.9
93.07036	6.7
95.04969	3.0
99.08120	3.1
105.07030	8.4
107.04993	5.2
107.08606	12.3
111.04447	5.6
119.08572	7.4
121.06529	5.9
121.10141	7.5
131.08560	30.1
135.11688	2.8
137.09650	3.2
145.10141	15.9
147.08044	3.8
147.11581	2.5
149.09627	35.7
163.11230	9.6
165.09119	6.1
167.10672	17.0
168.97203	2.0
173.09662	4.1
191.10670	41.5
209.11746	61.3
213.07753	3.2
227.12799	100.0
259.11115	3.2
339.13394	2.5
343.72910	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	405.3728
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05516	7.7
57.07080	12.3
67.05499	4.1
68.15312	1.3
69.03444	1.8
69.07076	11.4
69.83298	5.6
70.66328	1.2
71.08639	6.1
79.05505	1.6
81.07048	6.3
83.01347	9.7
83.05009	1.6
83.08628	5.7
85.10168	2.3
86.18614	1.4
91.05485	2.4
93.07056	7.5
95.08635	5.6
97.06548	2.8
97.10188	4.1
105.07021	1.8
107.08609	4.9
109.10165	4.3
111.08081	4.7
111.11722	1.7
119.08617	1.9
121.06495	2.7
121.10168	4.3
123.08110	3.0
123.11734	1.7
125.06032	4.4
125.09650	4.4
127.07562	2.8
133.10172	1.5
135.11728	3.3
135.34489	1.2
137.09637	1.8
139.07553	20.4
139.11174	1.3
140.22104	1.2
145.10139	1.8
149.13306	1.6
151.11214	4.4
153.09166	5.9
153.12773	3.1
159.11713	2.3
160.52232	1.4
167.10683	7.0
167.14363	1.5
177.16481	1.3
181.12285	9.0
195.13864	7.6
209.15242	5.8
223.16977	2.9
237.18628	1.5
241.46021	1.2
251.20187	2.0
265.21713	3.0
279.23373	1.6
293.24741	1.3
307.25870	1.4
335.29477	2.0
337.34595	1.3
349.31259	1.5
405.37366	100.0
406.37839	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3516
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
53.28287	2.3
55.05512	13.2
56.96574	18.3
57.07063	5.3
67.05501	21.3
69.07066	27.7
71.25829	2.9
79.05495	15.6
81.03407	2.5
81.07059	58.1
83.08610	7.3
90.44606	2.2
91.05488	27.8
93.07043	35.8
95.04964	4.2
95.08609	58.3
97.10183	5.0
97.53117	2.1
98.40193	2.0
98.98454	2.4
103.05493	3.3
105.07031	70.6
107.08588	36.1
109.06502	4.5
109.10162	45.2
117.07025	8.4
119.08582	96.1
120.08887	4.2
121.10145	29.3
123.11695	14.1
129.06909	3.2
131.08589	14.9
133.10132	27.5
135.11714	13.6
137.13243	6.2
142.07764	3.6
143.08548	6.3
145.10135	31.6
147.11691	26.4
149.13249	17.2
150.11569	1.9
151.14856	2.6
157.10130	13.9
159.11684	32.0
161.13277	20.7
163.14795	7.1
164.51604	2.2
169.10132	5.1
171.01967	3.9
171.11703	6.6
173.13301	17.4
175.14803	8.5
177.05557	3.1
177.16411	4.3
180.02553	4.5
183.11691	3.7
185.13266	7.6
186.02553	6.4
187.08174	2.4
187.14833	9.4
189.16394	11.3
191.18021	3.9
195.03072	9.4
195.11873	2.9
197.13159	5.1
197.53307	2.9
199.14876	11.3
199.30988	2.2
201.16376	22.5
203.07080	2.5
203.17938	34.5
211.14799	4.6
213.16418	9.6
215.17967	9.8
217.19499	3.7
225.16458	3.7
227.03215	4.6
227.17812	3.0
229.19478	6.4
236.51273	2.4
239.07051	3.3
239.17867	2.8
243.21103	9.6
246.71341	2.3
253.19550	7.7
255.21109	8.4
257.22754	5.3
267.06491	4.1
267.10135	6.4
267.21103	3.9
278.10583	13.4
285.10336	2.5
286.10471	8.7
286.60583	3.2
287.11328	2.7
295.24261	3.6
297.07605	16.3
316.05179	3.1
317.06543	2.7
321.25772	5.5
335.27286	2.9
341.03436	7.5
343.04980	3.7
344.25580	2.6
349.28973	4.3
353.03409	18.9
359.04501	17.4
371.04401	22.3
405.21762	9.2
405.35162	100.0
406.35281	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	405.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04340	0.3
52.43048	0.3
55.01862	0.8
56.96556	0.9
57.03437	0.4
58.06602	0.5
69.13860	0.3
69.37227	2.9
72.08142	1.6
84.08154	0.4
85.02911	0.5
85.06554	0.6
86.06033	0.5
91.47803	0.3
93.18810	0.3
93.81142	0.3
95.04950	1.1
98.09692	4.3
98.97590	0.9
99.04460	0.4
101.24270	0.3
102.09195	2.7
110.97547	0.4
111.08096	0.6
113.06001	1.5
116.98580	0.4
128.07079	0.6
131.00192	0.4
137.05977	0.6
140.10683	0.8
150.81570	0.3
156.13922	0.4
158.11781	8.4
174.11241	0.7
182.11766	0.7
188.12759	0.4
195.76167	0.3
200.12830	2.7
218.13889	100.0
219.14218	1.4
229.10481	0.6
232.15488	4.6
247.38376	0.4
274.09433	0.4
364.12277	0.4
405.13583	1.6
427.26291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.0
53.03955	1.4
55.01868	1.2
55.05502	1.9
56.96555	0.9
64.09576	0.8
65.03932	3.2
67.05501	3.0
69.07054	2.3
71.56500	1.4
77.03896	2.0
78.59004	0.8
79.05478	3.9
81.07071	6.2
83.04984	1.3
91.05486	7.2
93.03414	1.5
93.07059	4.2
95.04980	2.3
95.08598	2.8
105.03395	30.7
105.04488	1.2
105.07033	4.8
107.08588	2.9
109.10169	4.7
111.99961	1.2
119.08579	3.2
121.02866	1.2
121.06511	1.9
121.10125	1.4
123.11734	1.6
131.01314	4.3
131.08560	2.9
133.02858	41.6
133.10168	1.2
134.01263	0.9
135.08067	2.3
135.11649	1.2
142.07726	1.4
143.08548	1.4
145.10124	2.4
147.04407	2.2
149.02353	44.4
151.03918	2.1
155.08498	0.9
157.10107	4.1
159.11758	0.9
161.05963	2.0
163.03915	64.9
167.03413	60.6
167.99661	0.9
173.13243	1.3
177.00313	2.2
177.05489	6.6
181.04970	95.1
189.05434	1.8
190.01028	1.9
199.14842	4.5
201.16594	0.9
203.07030	3.7
205.04970	5.3
205.08644	2.3
215.06964	1.6
217.08632	2.3
229.08630	2.5
239.03976	1.1
255.10080	0.9
265.08743	1.0
267.10165	5.2
269.08154	1.0
271.13324	3.8
283.09671	100.0
284.09937	1.4
285.14755	3.1
286.02945	1.2
323.12762	3.6
325.14276	3.1
337.14102	1.7
345.14694	5.6
349.14612	1.5
375.08386	1.3
387.19574	1.8
405.12762	15.6
405.16727	28.9
405.20935	7.8
405.30835	1.0
405.36951	1.2
405.58322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2064
Annotation	Eryvarin E
Peak:m/z	Relative Intensity
54.69862	0.5
61.90845	0.6
67.05495	1.3
69.07057	1.8
69.30676	5.4
79.05486	0.9
80.81276	0.5
81.07040	1.1
83.08646	0.6
91.05480	3.3
93.07034	1.7
95.04968	0.8
95.08605	1.3
98.20647	0.9
105.07014	3.0
107.08604	0.8
109.10216	0.8
109.12563	0.5
110.33555	0.5
113.00014	0.7
117.06970	0.7
119.08559	1.6
121.06518	14.0
121.10133	0.7
121.49619	0.6
128.06207	1.5
131.08556	3.2
133.10146	1.3
134.03630	0.6
137.05972	0.9
141.07036	0.8
142.07764	2.8
143.07486	0.7
143.08569	9.3
145.10123	2.8
149.05997	5.0
149.13264	0.8
151.03908	9.3
155.08554	2.1
156.09338	0.6
157.10146	8.2
159.11771	1.2
162.03127	1.0
169.10129	1.3
171.11774	1.3
173.13271	0.6
177.05481	71.6
178.05870	0.9
181.10129	0.7
182.10910	0.6
186.67542	0.5
193.10114	1.3
197.13287	3.3
199.14836	3.8
201.16386	2.3
203.07053	2.2
205.04980	100.0
206.05339	0.9
211.11208	0.8
219.06467	2.1
221.09648	0.7
259.51569	0.6
330.09790	0.6
337.14142	0.7
345.15067	1.2
387.19733	2.6
405.20639	53.4
405.35229	1.7
406.20746	1.3
421.76456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2063
Annotation	Boesenbergin B
Peak:m/z	Relative Intensity
55.05514	1.2
57.07049	0.3
59.55738	0.2
65.03918	0.3
67.05499	1.7
69.03412	0.4
69.07071	2.0
71.58803	0.4
71.71421	0.2
79.05499	1.7
81.07062	3.5
83.08589	0.5
86.22924	0.2
91.04956	0.4
91.05472	4.1
93.07043	3.4
93.23431	0.3
95.04948	0.5
95.08607	2.9
97.10137	0.3
103.05405	0.4
105.07035	4.1
105.88036	0.2
107.08594	3.0
109.06490	0.4
109.10174	2.7
111.11658	0.3
117.07014	0.4
118.04166	8.1
119.08575	3.4
121.02827	0.3
121.05752	0.3
121.06496	3.2
121.10169	2.3
123.11668	0.9
128.06227	0.4
129.06950	0.8
131.04875	0.5
131.08563	1.4
132.59776	0.3
133.06476	1.4
133.10139	2.3
135.04366	1.0
135.11716	1.4
141.07050	0.4
142.07756	1.0
143.08548	1.3
145.06453	0.4
145.10121	1.8
147.11684	2.5
148.56636	0.3
149.02296	1.3
149.13243	0.5
151.03856	0.7
153.07001	0.3
154.07697	0.7
155.08592	0.5
156.09276	0.4
157.10144	2.5
159.04362	0.3
159.07950	0.2
159.11655	1.1
161.13211	1.0
163.14851	0.4
165.07011	1.8
166.07719	0.5
167.03424	1.3
167.08453	0.2
169.10159	0.5
171.08099	0.3
171.11658	1.1
173.13194	0.7
174.24826	0.3
175.03873	0.6
175.14764	0.8
177.05544	1.8
178.07823	0.3
181.06445	1.1
181.10060	0.3
182.07271	1.5
183.11613	0.5
185.13231	0.7
187.07503	0.4
187.14871	0.5
189.05432	0.5
194.07217	0.4
197.09647	0.6
197.13202	0.4
199.14819	4.4
201.16374	0.7
203.07047	0.6
203.17972	0.4
205.04936	1.5
207.06468	0.8
209.05946	1.0
209.09505	0.3
210.06749	1.9
211.07379	0.4
213.16292	0.3
215.18178	0.3
221.05943	0.4
225.09087	1.1
225.16345	0.3
227.17978	0.5
229.19278	0.3
237.05418	0.5
237.09186	0.4
238.06267	2.9
240.07901	0.3
241.19678	0.3
249.05472	1.0
251.07068	0.5
253.08620	2.6
254.09303	0.5
255.10194	0.6
265.04996	2.6
265.08499	0.8
266.05722	3.2
267.10123	1.6
269.07980	0.3
281.08090	100.0
282.08633	3.3
283.09650	2.4
293.08011	1.5
295.09695	0.6
297.26025	0.3
307.09744	0.4
317.11758	0.3
319.13235	0.6
321.11368	0.4
337.14227	0.6
349.14334	0.4
387.19763	0.5
405.20645	45.1
405.35117	3.8
406.21036	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2064
Annotation	7-Geranylformononetin
Peak:m/z	Relative Intensity
53.03944	0.3
53.53641	0.2
55.05509	0.7
57.03821	0.2
57.07066	0.4
63.93011	0.2
65.03932	0.4
67.05500	1.1
69.07079	1.7
70.69514	0.7
79.05483	1.1
81.03426	0.3
81.07065	4.2
91.05492	2.7
93.07053	1.3
95.04968	0.5
95.08635	1.6
99.02428	0.2
105.07031	1.9
107.04964	2.0
107.08620	1.2
109.06502	0.4
109.10165	1.1
111.08097	0.3
118.04186	3.5
119.08608	1.3
121.10149	1.9
121.66100	0.2
122.38704	0.2
123.11696	0.4
129.07019	0.3
131.08565	0.6
133.06482	0.7
133.10130	0.8
135.11722	0.5
136.01607	0.4
137.02357	1.2
141.07001	0.3
143.08578	0.4
145.10146	1.2
147.11688	0.7
149.02292	0.3
149.13293	0.5
151.03918	0.6
153.07001	0.3
154.02631	1.4
156.05771	0.3
157.10126	0.6
159.11714	0.6
161.13217	0.3
163.03978	0.4
170.07283	0.8
173.13153	0.3
177.05487	0.3
180.05666	0.3
181.06496	1.0
182.07283	0.6
185.05957	0.4
187.04100	0.2
187.14714	0.5
191.17885	0.3
195.97701	0.2
197.06015	2.2
197.13263	0.3
198.06746	1.8
199.07536	0.3
199.14795	0.3
201.16406	0.3
203.07028	2.6
203.14366	0.6
205.04938	0.5
209.06116	0.4
211.14928	0.3
213.09131	6.8
215.18027	0.3
225.05450	0.9
226.06277	3.9
237.05482	5.9
237.09201	0.4
241.08475	0.5
253.04964	5.2
254.05763	6.8
267.10211	1.3
269.08109	100.0
270.08524	1.9
281.08344	0.4
349.14673	0.4
387.19516	0.3
405.20563	1.4
405.35175	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	405.2062
Annotation	Boesenbergin B
Peak:m/z	Relative Intensity
57.80407	0.4
65.03940	2.5
67.05502	0.6
69.03434	1.2
69.07075	0.7
71.76789	0.4
79.05494	1.1
81.07054	1.5
91.05485	96.4
93.07036	1.6
95.08621	1.7
103.05490	1.9
105.03397	2.3
105.07060	1.6
107.08620	0.8
109.06527	0.9
109.10157	1.1
111.08038	0.5
115.05434	0.8
119.08595	1.1
121.10160	1.2
123.04476	0.5
131.04930	2.3
131.08551	0.4
135.04372	0.5
141.06993	1.6
145.10129	0.8
149.06050	0.7
151.11191	1.1
153.06989	1.2
155.08521	0.6
159.04469	2.1
159.11736	0.4
161.06070	0.5
165.07031	3.5
166.07796	5.4
167.08629	0.7
169.02602	0.5
171.11597	0.5
177.05487	1.0
178.07758	2.9
179.08562	5.2
180.09393	0.6
181.06380	0.8
181.10117	4.3
183.08324	0.4
183.11726	0.5
189.05469	11.5
189.06761	0.5
190.07787	1.0
191.08568	4.8
193.10013	0.9
194.07285	4.4
195.08029	1.0
196.08847	0.7
196.57603	0.5
199.14955	0.5
203.06978	0.6
206.07353	0.5
207.08052	2.0
208.08864	0.8
209.09633	5.6
211.07712	0.5
211.11150	1.9
213.09129	1.2
219.08133	1.8
221.09653	0.8
222.06685	0.6
224.08369	1.7
225.09120	0.6
227.10561	0.6
235.07556	0.5
237.09116	7.2
239.10674	5.3
249.09106	2.1
255.10133	1.1
265.08539	0.6
267.10172	100.0
268.10593	1.1
281.11658	0.6
281.19067	0.4
285.11218	1.6
321.14633	0.5
356.18069	0.6
387.19766	2.0
405.20627	51.1
406.20941	1.5
412.67361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
54.38252	1.3
55.05502	3.9
56.96556	1.8
57.07071	2.9
67.05489	4.9
68.99765	1.1
69.03414	3.1
69.07076	7.0
71.05003	1.8
71.55943	1.9
79.05504	6.6
81.07064	6.1
83.04984	5.5
91.05479	11.8
93.07061	6.9
95.04985	2.1
95.08598	1.6
101.40983	1.1
103.05493	2.0
105.06387	1.8
105.07038	25.4
107.08601	14.7
109.06504	4.4
109.10113	3.8
117.06998	4.1
119.08590	16.0
121.06532	9.4
121.10125	4.1
128.06247	6.3
129.06985	4.4
131.08603	5.4
133.06485	1.3
133.10094	2.8
135.04413	1.3
135.11684	2.3
139.07507	1.1
140.26820	1.1
141.06911	2.6
142.07780	19.5
143.08563	25.3
145.10152	6.0
147.11671	1.8
149.05943	1.8
149.09618	2.0
151.03920	8.8
155.08539	4.9
156.09372	7.5
157.10135	49.6
159.11682	2.9
161.05980	2.8
164.04688	2.8
165.01840	2.2
169.08658	1.1
169.10132	2.9
170.10880	4.4
171.11708	17.0
173.13234	1.4
175.07498	1.4
177.05484	29.4
181.10109	1.3
183.02802	1.4
184.12444	2.6
185.13252	4.9
189.05499	1.9
190.06210	1.4
192.04204	2.2
196.35757	1.1
199.14832	100.0
200.15300	1.6
203.03235	1.4
203.07100	2.5
205.04968	25.9
205.08191	1.3
207.06534	40.0
211.07547	2.1
213.09067	1.5
214.06227	2.3
229.08507	1.5
251.07153	1.5
257.08066	1.7
267.09900	3.6
269.08200	2.5
269.11713	9.8
283.09708	1.8
295.05594	1.2
323.12604	1.8
347.23285	3.8
349.17111	1.3
387.19562	3.4
387.24622	1.3
405.20569	21.3
405.27023	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	405.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.96569	0.7
57.07074	0.7
65.03933	0.6
67.05508	1.2
69.07063	1.2
71.56277	0.5
77.24281	0.4
77.73789	0.4
79.05500	1.3
81.07057	1.6
83.08622	0.4
91.05486	15.1
93.07054	2.7
95.04980	0.8
95.08636	1.8
103.05463	1.5
104.06233	0.9
105.07034	3.7
107.08591	1.7
109.06518	0.5
109.10165	0.9
111.08092	0.6
113.77596	0.4
115.05452	1.0
117.07021	8.1
119.08588	100.0
120.08941	0.9
121.06515	1.7
121.10180	0.8
125.09599	0.4
128.06241	0.5
129.07005	0.5
130.07765	0.7
131.08554	0.6
133.10127	0.7
143.08565	1.0
145.10130	17.2
147.61070	0.4
149.02342	0.7
149.06042	0.7
149.13300	0.4
151.03914	8.0
157.10127	2.0
159.11693	0.9
161.05995	0.4
167.03427	0.4
169.10091	0.5
171.08316	0.4
171.11705	0.6
177.05472	8.3
177.48044	0.4
179.08571	0.4
185.13330	0.4
187.11206	1.0
191.07059	1.4
199.14879	1.0
203.07132	0.9
205.04970	10.8
206.05762	0.5
207.06454	0.4
219.06493	0.8
223.07622	0.5
227.17912	0.9
251.07083	0.6
255.17506	1.4
261.11218	2.8
265.08710	1.0
267.10281	1.4
287.12802	14.8
304.10770	0.4
364.09589	0.7
382.10480	1.5
400.11719	0.8
405.12936	0.5
405.20718	9.5
405.25781	0.4
405.37027	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59594	1.1
53.03947	2.7
54.49525	1.1
55.01871	2.3
55.05515	1.9
56.96549	2.7
57.03440	10.4
61.02924	6.3
65.03926	1.4
68.99790	1.4
69.03436	17.7
70.06581	3.5
71.04989	2.5
71.17854	2.3
72.08147	4.1
73.02907	2.5
74.06036	1.2
75.04491	1.3
79.05489	1.4
81.03429	11.4
81.07033	1.5
83.04984	1.9
84.08132	1.7
85.02913	61.1
86.09718	2.8
87.00833	2.4
87.04444	2.2
91.03978	2.2
91.05478	1.5
93.07018	1.5
95.04970	2.7
97.02898	19.9
98.97593	5.8
99.04452	4.3
103.03941	2.0
105.01865	2.3
107.04984	1.3
109.02881	18.5
111.00786	5.1
111.04433	1.5
115.03957	1.6
116.98622	1.2
117.05488	3.0
121.06543	1.2
126.03180	10.0
127.03938	19.9
129.10159	1.1
137.05971	3.4
141.05476	47.0
142.02582	3.9
145.04977	18.5
147.04385	1.2
148.22910	1.0
157.04982	42.0
157.08411	2.5
158.99657	1.8
163.06062	2.7
167.06989	2.5
169.04976	100.0
177.05470	1.2
205.52443	1.2
209.68634	1.1
211.06021	3.2
219.01636	2.0
237.02753	2.0
243.08804	1.6
243.13461	3.9
297.44446	1.1
319.10559	0.9
319.13721	7.7
327.39142	1.2
361.14752	22.6
373.13193	1.4
405.13474	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.6
55.01867	1.5
56.96554	3.5
57.03424	2.8
64.95492	1.3
67.05502	2.0
68.99760	1.2
69.03432	8.0
69.07050	1.3
70.06570	2.0
71.04967	3.9
71.57071	1.9
72.08145	3.4
73.02940	1.4
73.06573	2.2
79.05489	2.2
81.03398	3.7
81.07062	1.9
83.04951	2.2
85.02913	14.1
85.06531	1.9
86.03242	1.5
87.00794	1.7
87.04448	1.6
91.05461	2.6
94.87430	1.4
95.04959	2.4
97.02906	6.3
98.97601	7.7
99.04428	2.4
101.06021	1.2
105.07013	1.8
106.02901	3.2
107.04971	1.9
109.02859	4.6
109.10067	1.3
110.97550	1.8
111.04381	1.4
116.98630	1.9
119.04967	1.4
121.02831	2.3
124.03963	22.4
125.04309	9.3
127.03889	5.1
130.06540	1.5
130.48514	1.3
137.05927	1.8
138.05505	1.3
139.11261	1.4
141.05476	2.3
142.02600	5.4
145.04982	2.0
151.07538	2.4
152.07196	1.4
157.04974	76.8
157.08421	7.4
158.05222	1.6
161.06010	1.6
167.07008	4.4
169.04951	2.1
185.07909	3.0
199.71977	1.5
202.06723	1.6
203.07446	1.8
219.01765	2.1
225.07617	2.4
237.02768	2.7
242.10153	4.5
243.10587	5.1
268.65747	1.3
269.08533	2.8
301.12732	3.1
319.10538	1.8
319.13687	21.3
361.14734	74.5
362.14984	1.4
363.13199	1.8
373.12500	1.5
405.13550	100.0
406.13943	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	405.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59594	1.1
53.03947	2.7
54.49525	1.1
55.01871	2.3
55.05515	1.9
56.96549	2.7
57.03440	10.4
61.02924	6.3
65.03926	1.4
68.99790	1.4
69.03436	17.7
70.06581	3.5
71.04989	2.5
71.17854	2.3
72.08147	4.1
73.02907	2.5
74.06036	1.2
75.04491	1.3
79.05489	1.4
81.03429	11.4
81.07033	1.5
83.04984	1.9
84.08132	1.7
85.02913	61.1
86.09718	2.8
87.00833	2.4
87.04444	2.2
91.03978	2.2
91.05478	1.5
93.07018	1.5
95.04970	2.7
97.02898	19.9
98.97593	5.8
99.04452	4.3
103.03941	2.0
105.01865	2.3
107.04984	1.3
109.02881	18.5
111.00786	5.1
111.04433	1.5
115.03957	1.6
116.98622	1.2
117.05488	3.0
121.06543	1.2
126.03180	10.0
127.03938	19.9
129.10159	1.1
137.05971	3.4
141.05476	47.0
142.02582	3.9
145.04977	18.5
147.04385	1.2
148.22910	1.0
157.04982	42.0
157.08411	2.5
158.99657	1.8
163.06062	2.7
167.06989	2.5
169.04976	100.0
177.05470	1.2
205.52443	1.2
209.68634	1.1
211.06021	3.2
219.01636	2.0
237.02753	2.0
243.08804	1.6
243.13461	3.9
297.44446	1.1
319.10559	0.9
319.13721	7.7
327.39142	1.2
361.14752	22.6
373.13193	1.4
405.13474	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58580	1.0
55.01854	1.6
56.96567	2.1
60.46918	0.9
69.03419	2.8
69.21156	1.6
69.21559	9.3
70.06603	1.0
71.05008	1.3
72.08150	1.4
74.23122	0.9
81.03396	1.7
82.06544	0.9
83.04974	0.8
84.08128	1.0
84.97479	0.9
85.02900	5.4
85.76121	0.9
86.09687	1.2
87.04501	1.0
93.07021	0.9
95.65259	0.9
97.02888	2.2
98.20777	1.7
98.97581	3.2
101.06000	1.0
105.01878	1.2
106.02899	1.4
107.10044	1.0
109.02860	1.4
109.06499	1.2
110.97557	1.0
124.03961	7.5
125.04254	2.7
127.03925	2.2
142.02667	1.6
157.04971	23.5
157.08389	8.2
158.99648	1.2
167.07059	2.3
169.04990	1.5
169.79161	0.9
180.74284	0.9
185.07893	5.1
207.54279	0.8
217.09204	0.9
219.11452	1.0
237.02902	1.0
247.68025	1.0
268.08063	1.0
269.08484	1.2
301.12692	1.8
319.13721	18.6
361.14706	74.0
362.14920	1.5
363.13135	1.3
387.33612	0.9
405.13657	100.0
406.13953	2.2
421.97156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01859	0.7
55.05504	0.3
56.96550	0.3
57.03426	0.3
58.72831	0.2
61.02905	0.4
67.28661	0.2
68.02647	0.4
68.62780	0.2
68.99784	0.3
69.03439	1.8
71.04967	0.5
71.17303	0.4
72.06975	0.2
72.08138	0.3
73.02907	0.5
79.05492	0.3
81.03415	2.2
81.07062	0.4
84.08141	0.3
85.02906	3.4
85.07617	0.2
87.00816	1.0
88.03972	0.3
91.03950	0.3
95.04970	0.4
97.02881	1.5
98.97582	1.0
99.04457	0.6
105.01879	0.7
109.02876	1.3
113.02361	0.2
117.01913	0.4
121.06509	0.2
123.04391	0.3
127.03919	2.0
131.04965	0.3
135.35632	0.3
142.02628	9.6
145.04947	0.7
151.07541	0.3
157.04967	100.0
158.05301	1.1
159.02913	0.5
167.07071	0.4
202.06772	2.7
202.57063	0.3
259.08688	0.3
259.11325	0.4
319.13797	0.4
361.14557	1.7
373.12817	0.5
403.12784	0.3
405.13367	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
54.52911	0.2
55.01871	0.9
55.05512	0.3
56.96569	0.8
57.03428	0.7
60.04522	0.3
60.84949	0.2
61.02917	0.6
62.23561	0.3
67.05499	0.4
68.02634	0.6
68.99782	0.4
69.03128	0.3
69.03432	2.9
69.07053	0.6
70.06590	1.2
71.01351	0.3
71.04987	0.6
71.56058	0.3
72.08144	0.8
73.02913	0.8
76.02235	0.3
79.05488	0.3
81.03428	3.7
81.07053	0.8
83.04987	0.5
84.04523	0.7
84.08136	0.8
85.02908	6.2
86.09711	1.5
87.00831	2.4
90.94248	0.3
91.05472	0.6
93.07056	0.5
95.04987	0.8
95.08629	0.5
96.02112	0.4
97.02910	2.2
97.06495	0.3
98.97588	0.8
99.04454	1.4
105.01868	1.0
105.07047	0.5
107.04968	0.4
107.08595	0.3
109.02898	2.7
109.10204	0.3
111.08016	0.3
113.02321	0.3
114.62403	0.3
116.98557	0.4
117.01863	0.5
120.08106	0.6
121.06537	0.5
123.08047	0.4
124.07593	0.5
127.03925	4.2
128.57048	0.3
130.06583	0.3
131.08577	0.3
136.07544	0.3
137.06001	0.4
138.08850	0.2
142.02621	12.8
145.04971	1.1
147.02843	0.3
153.09171	0.3
156.10257	0.4
157.04970	100.0
158.05330	1.0
159.02931	1.4
159.09116	0.3
161.09663	0.3
167.07143	0.4
169.04993	0.3
175.08669	0.4
177.05511	0.3
207.06464	0.4
225.07585	0.3
225.14893	0.5
231.05199	0.4
259.11169	1.1
269.08444	0.3
375.30124	0.3
405.15552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
55.05492	0.5
57.03433	0.4
67.05512	0.4
69.03426	2.0
70.06582	1.2
70.09010	0.9
70.09408	1.0
71.05003	0.7
72.08143	0.5
78.04720	0.8
79.05499	0.7
81.03417	1.5
82.87606	0.4
85.02903	4.7
85.06548	0.5
86.09708	0.9
87.00819	1.0
91.05492	0.8
93.07034	0.8
95.04998	0.6
95.08596	0.6
97.02883	1.6
97.06506	0.6
98.97594	1.0
105.01848	1.0
105.03406	0.5
105.07060	0.6
109.02869	0.8
121.06505	0.9
123.04444	2.4
124.05250	0.7
124.07621	0.4
127.03927	1.5
145.04956	1.1
152.04688	1.0
167.07051	100.0
168.07390	1.4
180.08659	0.5
189.12727	0.7
204.56468	0.4
207.13770	1.3
225.11247	14.4
231.05128	0.5
261.91049	0.4
269.50095	0.5
318.17807	0.7
329.11761	0.5
333.18527	0.4
404.08362	0.7
405.17401	1.0
427.88205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.6
59.04996	2.8
67.05498	5.2
69.03438	6.8
71.04996	5.2
71.49029	4.0
72.08141	3.3
79.05488	4.4
81.03421	4.0
81.07069	3.4
82.09331	2.4
85.02890	18.7
85.06544	8.2
86.08975	2.6
87.00838	5.8
91.05482	14.6
93.07059	8.2
95.04951	2.7
95.08607	7.4
97.02928	3.6
103.05478	3.2
105.01849	4.0
105.03410	5.6
105.07039	49.3
107.08583	9.0
109.02814	4.2
109.06522	17.0
117.07021	6.4
119.07793	3.9
119.08594	55.2
121.10150	10.3
123.08061	9.8
123.11712	7.5
127.03899	8.3
131.08568	8.7
133.06511	5.6
133.10091	3.4
134.98883	2.6
137.09602	5.3
137.13261	3.1
145.10103	13.6
147.11687	75.8
149.09631	12.5
151.07523	5.4
156.09395	4.2
163.07634	3.0
165.12758	3.1
167.07065	24.6
171.11702	2.9
174.10512	3.5
179.07031	2.7
181.04869	3.0
189.12762	58.4
207.13814	100.0
225.11200	3.5
225.14764	3.1
239.18216	3.6
305.08759	3.1
404.08478	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	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01872	0.5
55.05507	1.0
57.03425	1.2
57.07471	0.3
61.02922	0.5
61.20016	0.3
64.20237	0.3
67.05502	0.9
68.99774	0.5
69.03436	4.1
69.07066	0.7
69.20211	0.7
69.20612	3.0
70.06595	0.5
71.05000	0.4
73.02908	0.8
79.05495	0.8
81.03414	4.1
81.05744	0.4
81.07074	1.0
82.06573	1.1
83.05030	0.3
85.02911	5.4
87.00842	2.2
91.05488	1.1
93.07047	1.5
94.06542	0.4
95.04993	0.6
95.07347	0.5
95.08595	2.4
96.04502	2.6
96.08136	2.1
96.89063	0.4
97.02916	2.0
97.05276	2.6
97.06537	1.3
99.04447	1.1
100.07576	0.8
105.01874	1.3
105.07044	0.6
107.08595	0.9
108.08123	0.6
109.02869	2.5
109.06507	1.0
110.06052	5.2
110.09694	3.7
111.08105	0.8
119.08595	0.4
120.08096	0.7
121.06526	1.1
121.10151	0.6
123.06787	0.5
124.03938	0.3
124.07576	0.6
125.08387	0.8
126.09164	9.0
127.03922	3.7
135.08055	0.8
138.09149	23.5
139.07535	1.3
140.10689	0.6
145.04996	0.7
147.08049	0.4
147.11652	0.8
150.09093	0.6
152.10713	1.4
156.10210	100.0
157.10538	1.4
159.02898	0.9
168.10254	0.8
171.11703	1.0
180.10162	1.9
189.12761	0.9
198.11261	3.5
205.80182	0.3
207.13770	1.9
213.04044	0.4
222.11264	1.4
231.05002	0.5
246.11366	0.7
247.09547	0.3
258.20895	0.4
264.12387	1.0
318.15494	1.1
373.84253	0.4
376.52344	0.4
377.53543	0.4
386.14966	0.5
404.15652	7.4
404.20605	0.8
404.26505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60740	0.7
53.46996	0.7
56.96570	14.8
64.64868	0.7
67.05489	0.9
70.07265	2.3
70.07672	1.6
71.95260	3.4
72.82149	0.7
91.05466	1.7
91.90823	0.7
93.07026	0.9
94.04161	1.7
98.97589	100.0
116.98631	48.1
122.03648	4.8
134.99670	15.5
137.05984	43.3
140.00201	3.5
150.38728	1.0
151.16556	0.8
152.79921	0.9
153.00713	1.1
158.01268	2.2
160.99124	0.9
161.42793	0.7
177.05469	1.0
179.00177	1.5
197.01253	1.6
198.02013	1.2
203.07123	1.3
205.04800	1.0
211.02992	0.9
220.00470	2.7
224.09566	1.6
226.11165	17.0
235.02789	62.3
238.01546	1.9
244.12215	7.5
253.03860	75.0
254.04289	1.4
268.12158	3.0
271.04944	1.8
275.93384	0.8
276.05463	9.0
280.12064	1.1
329.13065	1.6
344.15295	7.6
362.16260	2.4
385.17908	0.9
404.17471	57.8
405.17368	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	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72876	1.6
53.03945	8.3
55.01868	8.9
57.03444	9.6
57.18979	1.8
61.02922	5.6
63.30047	2.0
68.99782	5.5
69.03436	39.3
71.04990	5.7
71.08681	4.4
73.02910	8.0
79.63240	1.9
81.03419	25.7
83.01317	1.8
85.02914	100.0
87.00842	48.4
87.04465	2.2
93.07034	2.4
97.02900	42.8
99.04470	13.7
100.07616	4.3
103.03935	6.6
105.01874	60.7
109.02901	30.3
115.44422	2.1
117.01869	4.2
121.06532	26.5
127.03929	61.5
129.01820	5.9
142.02698	2.1
145.04958	34.0
145.06474	4.6
147.02917	4.0
151.20293	1.9
157.05000	25.1
159.02908	16.7
163.06163	1.9
163.07536	7.1
164.10889	2.1
183.08051	2.3
187.07553	10.6
189.03954	21.9
201.09077	3.6
205.08646	12.1
207.06468	4.8
211.07529	3.1
213.03865	3.4
222.89603	2.1
224.12897	2.3
229.08641	11.9
231.05029	17.3
242.13948	2.8
247.09590	11.8
249.06058	5.1
346.75638	2.2
369.11652	4.5
405.13397	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1535
Annotation	Perphenazine
Peak:m/z	Relative Intensity
55.01867	0.5
57.03428	1.0
61.02926	0.5
69.03429	2.4
69.41953	3.6
70.06597	9.2
73.02905	0.7
80.11520	0.5
81.03414	1.3
83.77801	0.5
85.02906	5.1
86.09721	1.2
87.00830	0.6
97.02904	1.4
98.97597	1.7
99.04460	0.8
105.01862	1.8
109.02870	1.0
112.03732	0.7
112.07618	7.8
121.06525	1.4
124.03961	1.6
127.03924	2.1
129.28709	0.5
131.01871	0.4
140.07057	3.5
145.03497	0.5
145.05009	1.1
149.06604	0.6
156.06590	1.1
156.10275	0.5
157.05002	1.4
159.02962	0.5
181.34276	0.5
186.86453	0.5
202.09270	1.8
214.10764	1.5
220.10368	1.8
221.05090	1.2
224.09039	0.9
242.10030	5.1
242.15903	1.1
246.92621	0.5
256.11905	0.6
256.75946	0.5
260.09918	1.4
266.09900	0.5
275.09787	1.9
287.11029	8.2
305.10831	1.1
333.11749	2.7
376.14700	0.9
404.15283	100.0
405.15381	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.5
58.75713	0.4
65.84258	0.4
69.55726	2.2
79.05498	0.6
81.07036	1.4
91.05485	2.9
93.07040	1.1
95.04990	0.6
95.08614	0.8
105.07047	3.1
107.08568	0.6
109.10159	0.6
111.66840	0.4
119.08590	4.1
120.08902	0.9
124.03377	0.5
129.07011	1.2
131.08546	0.7
133.10127	0.7
135.11696	0.4
141.06987	1.6
142.07796	1.3
143.08563	1.5
145.10132	1.0
151.03906	7.8
153.07024	1.3
154.07811	1.8
155.08565	28.5
156.09358	17.1
157.10161	4.5
159.11667	0.6
165.07030	1.0
167.08572	10.2
168.09363	0.6
169.10141	26.4
170.10397	0.7
177.05463	1.8
181.10143	1.2
182.10919	25.7
195.11703	0.9
197.13271	100.0
198.13562	3.0
201.16270	0.6
205.04974	2.6
206.06012	0.5
215.18762	0.5
223.14821	0.6
231.06636	0.4
237.09187	0.7
267.10153	0.6
336.52249	0.5
343.13068	0.7
357.18472	0.6
361.14294	8.7
385.18301	0.5
403.19070	57.9
403.33722	2.0
404.19583	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	403.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35852	1.3
55.01868	6.2
55.05503	1.8
57.03420	2.0
59.32587	1.2
65.03935	1.7
69.03408	2.6
71.56558	1.8
77.03954	1.2
79.05468	2.7
81.03416	4.5
81.07065	2.2
83.01333	2.4
85.02908	9.0
85.06509	1.3
91.05484	79.3
93.07034	1.7
95.04965	1.9
97.02879	7.9
98.34464	1.5
103.03949	2.9
103.05468	26.8
105.03405	8.2
105.07027	3.6
107.04964	3.0
107.08591	2.2
109.02883	4.4
115.05476	5.6
117.06963	1.8
121.02863	2.3
121.06478	2.3
121.09999	1.3
121.32553	1.4
123.04468	1.9
126.42368	1.5
127.03925	3.3
128.06203	2.5
129.06992	4.4
131.04942	26.7
131.08559	1.9
133.02885	2.1
133.10155	7.3
135.04407	8.4
135.08089	1.4
137.09628	3.6
141.06984	7.5
143.08591	2.1
145.06526	5.8
147.04407	11.9
149.05936	6.5
153.06949	3.3
155.06010	1.5
157.06509	3.4
159.04434	24.2
159.08078	2.2
161.05975	8.1
163.03896	19.2
165.05663	2.2
165.06973	9.3
166.07790	6.0
167.08572	4.7
169.06525	3.8
169.10100	1.7
171.08058	1.2
173.05974	13.8
174.03236	1.3
175.03954	17.4
175.07495	2.6
176.04517	1.8
177.05489	13.4
178.07796	6.0
179.08528	8.3
181.06467	2.5
181.10155	6.3
183.08015	2.5
185.06001	3.2
187.03911	17.6
187.07506	3.2
188.04863	1.8
189.05482	2.5
191.08560	9.7
191.14362	2.7
194.07285	3.1
195.07993	1.7
197.05983	5.7
197.09570	2.9
199.03877	2.4
199.07622	2.4
200.04727	2.6
201.05466	21.8
202.07785	2.5
203.08606	3.0
205.04959	44.6
205.10159	1.7
207.08067	5.4
209.09586	9.2
210.06740	2.4
211.07559	3.7
213.05518	5.7
215.07042	5.4
215.08820	1.8
218.07231	2.7
219.08067	5.4
223.11153	1.6
225.05478	6.8
225.09059	7.8
229.04961	10.5
229.10085	1.8
233.09634	3.6
235.07562	11.1
237.09091	10.3
241.04991	2.9
241.05977	1.8
241.08583	29.0
243.06427	2.4
245.09703	1.8
247.07538	7.5
251.10670	3.9
252.08708	1.4
253.08604	100.0
254.08948	3.3
257.09592	1.5
261.09152	3.9
265.08594	18.0
265.11685	2.1
267.06650	2.5
271.06189	1.5
275.10608	1.3
277.08566	5.5
279.10132	13.0
283.09665	92.6
284.09961	2.7
293.11697	4.5
303.10184	7.0
304.64154	1.4
307.09656	56.8
319.09583	8.7
321.11133	3.1
331.09625	21.8
337.10687	53.1
338.10751	3.1
343.10980	1.9
349.10703	23.0
350.11017	2.0
367.11761	20.8
385.12701	13.7
403.13824	31.2
418.80923	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1025
Annotation	Isomollupentin
Peak:m/z	Relative Intensity
53.43840	0.9
55.01865	3.9
55.05503	1.2
65.34978	0.9
67.05516	1.0
68.13716	0.9
68.99792	1.9
69.03434	2.3
69.42395	7.5
73.02928	2.2
79.05489	1.9
81.07066	3.2
83.05000	1.2
84.08137	3.8
85.02905	3.2
91.05471	2.5
93.07047	1.1
97.02887	2.0
105.03426	1.2
107.04945	1.8
109.02859	1.0
109.10143	1.4
116.10726	4.3
119.04949	5.3
121.02865	17.4
125.09637	0.9
126.81096	1.1
129.30229	0.9
131.04889	1.1
131.08583	1.0
135.04404	1.9
137.02341	3.2
141.01843	2.5
145.02832	6.5
145.06351	1.0
147.04460	1.3
149.02324	3.4
153.01892	1.0
155.07111	1.1
163.03928	6.9
165.01836	16.8
167.03395	2.6
167.07133	1.3
171.11790	1.1
175.03949	2.5
177.01765	2.6
179.03423	3.4
181.05063	1.2
183.02928	3.2
183.08134	1.1
187.03903	2.2
189.01949	1.3
191.03340	1.5
193.04929	1.3
195.02930	2.2
203.03391	7.0
221.04489	1.5
229.04965	2.6
231.02888	2.3
236.54042	0.9
241.19101	3.7
249.03899	1.7
256.07458	1.0
267.06528	6.7
270.05237	2.4
271.06018	32.1
273.03925	1.3
279.06485	3.8
281.08096	8.7
283.06015	97.6
284.06638	10.1
285.07416	1.9
291.06317	1.3
293.08047	6.6
294.05057	1.2
295.06030	15.7
297.04221	1.9
297.07544	15.6
305.07986	2.4
307.06024	5.7
308.06625	1.2
309.04153	2.1
309.07529	22.0
311.09100	3.7
313.07034	58.3
317.11670	1.2
321.07574	41.4
323.05927	1.1
325.07092	8.7
337.07034	45.3
337.11139	2.2
338.07455	2.1
339.08566	3.8
349.07059	34.3
350.07394	2.6
359.13040	1.1
367.08127	100.0
368.08408	3.1
385.09161	14.0
403.10104	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	403.1027
Annotation	Isomollupentin
Peak:m/z	Relative Intensity
52.86563	0.9
55.01884	2.0
55.05518	1.2
56.05037	4.2
57.03423	1.1
67.05502	1.9
68.27920	1.3
69.03429	3.9
70.06596	2.1
71.57926	1.1
71.58305	1.4
73.02944	1.2
79.01854	4.5
79.05492	3.4
81.03423	3.0
81.07065	18.7
81.90320	1.0
83.08635	1.7
85.02899	9.0
86.09675	1.1
91.05482	1.8
93.07049	1.1
95.04935	1.2
96.99710	1.0
97.02904	4.7
98.09696	13.8
98.97575	1.3
99.04506	1.3
100.11260	3.1
105.07013	1.4
107.04968	2.0
109.10155	5.1
111.04479	1.5
116.10739	85.9
119.04967	5.1
120.05676	1.2
121.02878	27.3
121.06478	1.2
123.04504	1.6
127.03928	2.0
137.05936	1.3
137.09657	2.2
138.03203	1.1
141.64732	1.1
143.11845	1.8
145.02852	3.0
155.10672	3.8
163.03946	2.6
165.01970	1.4
166.93690	1.4
167.07040	7.9
175.03862	1.3
177.02039	1.2
179.03391	2.3
187.04002	2.7
191.03256	1.3
203.03429	2.4
205.05034	5.2
211.07578	1.6
212.38060	1.1
213.05556	5.8
216.00735	1.0
223.18124	2.4
227.07069	2.0
228.07858	1.6
231.02901	3.8
237.05112	1.3
239.07082	1.6
241.19141	38.6
243.06540	1.5
247.06055	2.5
249.03961	3.4
255.06416	9.9
256.07281	15.7
268.07303	1.6
271.06021	2.2
279.06586	1.6
283.06024	67.5
284.06781	52.3
284.09949	2.6
285.07339	3.9
295.05988	22.5
295.08914	2.2
297.07587	36.6
298.04498	1.6
305.08051	2.3
306.28680	1.2
307.06177	3.3
308.06802	2.3
309.07504	7.9
311.05508	4.0
311.09167	9.8
313.07083	96.2
314.07407	3.0
321.07675	7.9
323.05542	3.2
325.07074	11.2
327.08704	2.2
331.11288	1.1
332.11588	2.4
337.07059	17.6
339.08621	9.6
343.08173	14.6
349.07056	5.9
355.08054	1.8
367.08154	99.4
368.08344	2.9
385.09192	59.8
386.09677	1.3
403.10254	100.0
403.24429	3.7
404.10620	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	402.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	2.3
69.93437	6.6
81.07070	2.3
89.30758	1.4
91.05489	31.4
105.07027	4.6
115.05480	1.4
126.87512	1.7
166.07805	3.3
169.50281	1.6
179.08563	1.4
181.10104	3.8
186.95836	1.4
189.05516	5.4
190.67047	1.4
191.08524	2.2
194.07317	2.6
198.06520	1.4
205.18475	1.5
209.09583	2.9
227.66689	1.4
237.09129	4.1
239.10742	2.1
243.10242	1.8
249.09079	2.1
267.10184	88.1
279.10269	3.5
285.11206	14.4
295.13403	3.0
321.14786	8.7
339.15942	100.0
340.16251	3.4
357.16870	1.9
402.13501	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	402.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59880	2.1
56.96555	10.0
62.98266	4.0
71.58344	3.9
77.02793	1.9
79.05494	2.7
89.56433	1.8
91.05482	34.2
93.07048	3.1
93.25176	2.2
99.08646	2.1
103.05439	3.2
105.07047	26.4
119.65294	2.2
119.81299	1.9
121.06519	5.1
148.13333	2.3
161.05913	3.8
173.05946	3.6
175.07581	3.0
177.05452	3.5
189.05498	4.2
191.08582	2.8
201.05412	7.4
204.06482	2.8
225.08961	2.2
229.08571	4.5
237.09081	2.8
243.10162	3.6
267.10165	28.1
279.10162	9.3
285.07941	3.4
293.15363	3.6
295.13266	2.1
299.09503	5.0
317.10550	3.6
321.14801	23.8
333.10818	2.8
339.15921	100.0
340.16135	3.5
351.12424	3.5
369.13684	7.8
377.10406	2.8
391.11890	2.7
393.15393	2.5
402.12863	15.4
402.17474	6.7
403.12927	2.2
409.12637	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	402.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41484	1.0
50.62733	1.0
56.96569	19.7
58.06587	2.0
69.03426	1.6
70.06578	1.1
70.26304	4.2
70.98110	1.7
72.08159	5.5
73.41701	0.9
79.19058	1.1
84.08141	2.4
84.96041	1.8
85.02929	1.4
86.09666	1.3
96.08130	2.0
97.96838	1.0
98.97588	65.5
110.97573	17.5
112.99140	1.4
116.10759	1.8
116.98632	20.9
117.99008	1.0
128.10733	2.3
128.98610	14.5
130.93297	16.8
131.00072	1.2
134.99638	3.6
135.05182	1.1
136.06172	4.0
144.77359	1.0
145.94354	1.1
146.99649	6.3
148.94353	1.5
154.08630	5.8
154.93338	2.5
158.04875	1.1
158.92764	1.6
162.95929	1.3
172.02818	1.3
172.94357	60.6
174.11282	2.1
174.95938	1.3
184.94324	3.2
188.12781	2.9
190.95407	36.3
196.94289	1.1
198.95917	3.9
202.95380	3.5
204.96806	1.1
208.96445	5.9
212.06107	1.0
214.95392	16.8
216.96957	10.5
219.01743	2.1
226.95387	4.2
228.96933	1.2
230.07005	1.3
230.94884	1.8
232.96455	31.6
234.98019	3.0
235.06683	1.7
237.02716	1.5
240.10898	8.0
242.98683	1.5
244.08592	3.1
244.96480	8.0
246.98033	5.3
248.95886	2.7
250.97566	10.7
258.98062	6.2
262.09634	3.5
262.97537	3.7
264.99084	2.5
268.96454	26.6
268.99234	2.1
269.93723	1.9
270.94592	1.5
274.97388	1.6
276.99039	2.4
277.05948	1.1
278.96973	1.2
286.09717	3.7
286.97528	100.0
287.94620	2.4
287.97601	1.6
288.95453	5.6
299.07538	1.9
300.95578	1.7
304.10706	1.4
304.98590	44.7
306.96469	8.1
312.00583	1.3
312.98993	5.2
330.01804	6.6
330.96570	1.5
331.00140	1.7
337.08142	1.2
342.05237	1.9
342.96417	2.2
348.02692	3.6
352.04013	2.2
354.01654	1.2
360.06406	2.9
370.04855	18.3
378.07443	2.0
384.06381	3.4
388.05917	49.8
389.06076	1.9
402.07486	31.7
406.06912	4.5
420.08508	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.215
Annotation	Odonticin
Peak:m/z	Relative Intensity
50.87579	0.5
52.36396	0.6
53.03942	0.9
55.05511	1.4
56.96580	1.3
57.03430	0.8
63.62503	0.6
67.05509	2.4
68.73042	0.6
69.03429	1.6
69.07087	3.2
69.94080	0.6
71.56258	0.8
79.05498	1.8
81.03407	0.7
81.07060	3.7
83.08639	1.1
85.02915	1.2
87.43607	0.5
91.05473	2.3
93.07060	2.6
95.04984	1.6
95.08608	3.7
97.02914	1.0
97.06544	2.1
98.97605	1.1
105.07066	2.6
107.04941	1.1
107.08617	2.4
109.10178	2.2
117.06994	0.8
119.08611	2.1
120.42706	0.5
121.06537	1.1
121.10197	1.8
123.08091	1.0
123.11717	1.4
127.03989	0.6
131.08646	1.4
133.10179	1.6
134.82140	0.6
135.11720	0.8
137.06058	0.6
137.09634	0.7
143.08638	1.1
145.10143	1.8
155.08603	0.9
157.10124	1.2
159.08180	0.6
159.11754	1.4
164.11639	0.6
167.07045	2.0
169.10150	0.7
173.06119	0.8
177.00700	0.6
183.11827	0.8
189.08960	0.8
203.07062	0.9
219.01845	0.6
280.20807	0.6
313.16217	11.3
315.08856	0.8
330.11258	1.0
357.18985	2.2
383.29626	0.7
401.21661	100.0
401.31201	2.5
402.21967	3.0
420.32419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.7
54.82425	3.7
55.05515	12.2
59.94373	4.0
67.05512	20.4
69.07072	18.3
71.05014	7.6
71.16676	6.8
79.05507	28.8
81.07062	38.5
83.08627	6.1
91.05487	52.4
93.07053	49.1
95.04967	6.1
95.08614	28.6
103.05488	5.6
105.07036	95.6
107.08598	39.8
109.06524	58.4
109.10177	25.4
111.08073	5.7
115.05459	7.0
116.06182	4.7
117.07043	23.7
119.08588	84.0
121.10150	33.8
123.08103	5.8
123.11728	4.7
128.06244	18.9
129.07021	22.2
130.07780	11.6
131.08585	56.5
133.10150	81.7
135.08025	12.4
135.11697	16.9
137.09589	5.1
141.06967	9.0
142.07811	23.6
143.08572	42.3
144.09340	12.9
145.10136	100.0
147.08058	9.5
147.11694	17.3
149.09636	8.6
154.07747	5.3
155.08577	14.2
156.09343	15.7
157.10175	49.3
158.10910	14.2
159.07999	4.7
159.11694	22.6
161.13257	4.6
165.07013	6.3
167.08588	7.1
168.09354	5.5
168.84547	4.1
169.10167	22.0
170.10863	8.2
171.11702	31.1
172.12421	6.2
173.13281	39.6
175.14847	12.4
179.08589	13.3
180.09317	6.5
181.10068	19.7
182.10954	6.3
183.11707	24.0
185.13277	18.2
187.14822	32.1
189.12787	5.4
192.09294	6.0
193.10092	13.4
194.10861	9.2
195.11746	21.9
196.12341	4.3
197.13217	20.9
199.14835	15.8
201.12798	6.8
206.10960	6.8
207.11726	14.7
208.12529	7.8
209.13240	24.1
211.14864	9.1
221.13318	13.5
223.14941	11.5
235.14847	8.7
237.16512	8.2
247.14880	5.1
251.17970	4.9
261.16608	6.5
263.18137	4.3
265.19376	10.1
266.20337	5.1
343.24460	7.0
358.26239	5.3
386.14706	4.1
400.68094	5.4
401.13535	7.3
401.17834	6.9
401.28085	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68846	1.6
53.03949	3.1
67.05512	2.4
67.50206	1.8
68.80568	1.8
69.03426	5.0
70.61264	4.5
71.04976	2.5
72.60283	1.6
78.04707	3.1
79.05489	18.7
79.53510	1.8
81.03397	2.6
81.07063	4.1
82.18293	1.9
85.02930	2.0
91.05499	10.1
93.07066	2.1
95.05014	3.7
95.08546	1.8
100.93396	2.0
105.03406	2.2
105.07006	5.3
107.04966	26.3
107.08579	4.1
109.06544	2.5
115.05431	5.0
116.06208	4.2
117.07001	3.6
117.72164	1.6
119.08540	2.0
121.06482	2.3
122.03590	2.0
123.04424	7.8
124.05222	6.7
125.06070	2.1
128.06216	4.1
129.07007	6.0
131.08600	8.2
132.05746	2.3
135.11694	3.9
137.06018	2.0
141.07001	5.2
144.05731	5.9
145.06538	6.4
147.11839	1.9
148.08398	1.7
151.03847	2.3
151.07530	3.0
156.05673	11.5
157.06485	3.6
158.07246	3.3
159.08035	13.9
161.06035	4.3
163.03935	5.3
165.06995	2.3
167.07048	100.0
172.05284	1.8
173.06084	4.2
177.05461	3.4
179.07045	3.9
181.05003	2.3
181.08626	2.8
184.05263	3.7
186.06700	5.1
187.07497	10.1
189.07066	2.6
190.06268	2.4
191.08539	2.9
193.08595	2.9
195.06438	2.0
198.06786	2.2
202.06172	4.8
202.07835	3.5
203.08551	3.5
204.07867	2.6
205.06673	3.3
205.08638	12.4
207.06461	3.8
207.10133	2.1
208.05240	21.8
208.08855	2.8
209.05972	2.2
209.08032	2.1
210.06831	3.0
211.07658	3.2
217.08609	34.6
218.07263	6.1
219.08057	12.9
219.10164	4.8
220.08839	7.3
221.06001	6.7
221.09779	2.0
222.03020	2.1
222.06828	1.8
223.11116	2.1
225.05495	2.3
229.08614	3.7
231.08044	12.0
231.10045	3.0
232.08774	2.1
233.05966	3.3
233.09633	4.1
234.06786	3.2
235.07596	5.1
236.04697	8.6
236.08426	3.7
237.09100	1.9
238.06267	3.2
239.07164	3.7
245.09634	3.5
246.06865	3.9
247.07481	12.7
247.09720	19.0
248.08334	12.6
249.05377	2.3
249.09352	3.2
251.10806	2.3
254.05711	11.6
255.06473	21.4
259.07620	3.8
260.08350	2.8
261.09109	7.0
262.09891	5.2
263.07083	2.2
263.10733	9.3
264.07904	5.6
265.08591	7.2
267.06506	10.0
268.03720	3.1
269.08078	22.4
271.09625	6.6
272.06799	6.1
273.09305	1.9
275.07098	5.3
276.07785	6.1
277.08661	6.7
279.10214	8.8
281.08051	2.4
282.05475	3.6
282.08875	18.1
285.07681	2.7
287.09265	2.6
290.09427	4.7
291.06842	3.0
291.10178	13.7
292.07440	4.5
293.08121	10.8
294.09354	1.8
297.07669	2.0
297.11093	2.4
299.09174	4.9
300.06445	2.1
301.07166	6.8
305.08096	3.0
305.11526	2.8
307.09668	9.8
308.10379	5.0
310.08337	9.9
311.12720	2.4
315.08627	92.8
316.09384	4.1
318.08795	2.8
319.09552	9.5
321.07675	3.7
322.08261	2.4
322.11957	2.8
323.12778	15.9
328.09506	3.2
330.10977	98.6
331.11731	13.4
336.09891	6.3
337.10794	6.0
339.12155	10.6
343.11789	20.9
351.12241	30.1
352.13010	3.1
353.10248	8.6
356.12692	4.6
368.12500	11.1
369.13345	4.2
371.14929	6.8
383.14923	71.2
401.16116	19.8
401.28647	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.46589	1.8
62.60829	1.8
67.05482	2.0
70.06570	1.7
79.05492	16.4
81.07062	4.0
85.02898	3.7
85.87743	2.0
91.05478	6.8
93.07047	3.8
95.04960	4.2
105.07074	3.0
106.04177	2.2
107.04964	29.2
107.08591	4.0
109.06513	2.2
115.05457	3.3
117.06995	2.9
119.04948	2.4
120.08083	2.0
121.06490	1.8
123.04426	5.5
123.91581	1.8
124.05206	5.4
128.06218	3.7
129.06985	7.2
131.08554	9.7
134.03600	2.1
135.04364	2.9
135.11713	9.3
137.05942	2.4
141.06963	3.6
144.05698	10.5
145.06477	4.7
147.04350	1.8
149.05983	2.5
152.04688	2.5
153.05536	2.4
156.05696	14.0
157.06494	5.2
159.08069	15.1
161.06001	4.0
163.03925	2.9
167.07054	100.0
170.07245	2.4
173.05951	5.2
179.06982	2.9
181.05069	2.8
181.08571	4.6
184.05179	3.9
186.06729	2.4
187.07529	9.9
190.06261	4.0
191.08553	3.6
193.08571	1.9
195.06427	2.8
202.06238	4.9
203.08562	3.4
205.06697	2.7
205.08618	18.8
207.06471	5.3
208.05197	22.4
209.08018	3.3
210.06721	3.0
211.07658	2.5
215.07021	3.9
217.08623	34.6
218.07291	4.9
219.08061	11.7
219.10197	6.8
220.08827	5.9
221.05946	7.4
222.81793	2.2
229.08572	4.0
231.08028	7.1
231.10100	3.0
232.08928	2.4
233.05962	2.3
233.09679	5.0
234.06874	2.5
235.07539	3.4
236.04680	7.8
236.08250	4.7
239.06961	2.7
240.04317	3.1
245.09688	2.3
246.06839	3.1
247.07491	16.9
247.09706	17.4
248.08316	9.5
251.10683	5.0
254.05769	10.7
255.06525	17.0
259.07605	5.4
260.08328	2.9
261.09155	5.7
262.10025	5.0
263.07071	3.2
263.10666	12.4
264.04053	2.3
264.07895	7.9
265.08517	6.1
267.06567	8.0
268.03595	3.1
269.08167	27.1
271.06027	2.6
271.09637	7.5
272.06839	5.1
275.07031	8.0
276.07816	6.6
277.08533	7.8
278.05777	3.2
279.09943	10.9
280.07300	2.6
282.05600	3.6
282.08862	16.8
287.09268	3.7
290.09442	5.2
291.10132	17.3
292.07181	4.7
293.08035	10.7
294.08514	2.6
299.09045	4.8
300.06494	3.7
301.07007	3.5
304.07629	2.2
305.08255	3.2
305.11710	2.4
307.09601	8.2
308.10379	7.9
309.07703	2.3
310.08255	7.5
311.12854	3.3
315.08649	76.9
316.09097	3.5
319.09686	9.0
321.07626	4.7
323.12704	17.2
325.10751	2.8
328.09293	5.7
330.10992	78.6
331.11697	11.0
336.09760	5.2
337.10498	5.0
339.12204	8.2
343.11783	19.3
351.12265	23.7
352.12827	4.0
353.10104	5.8
355.11539	2.4
356.12463	4.5
368.12445	7.4
371.14789	5.6
383.14886	57.5
401.16165	16.9
401.28653	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	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31316	2.3
66.49165	2.0
69.34894	5.7
69.35314	12.3
76.02447	1.8
78.04688	2.1
79.05489	17.9
81.07043	3.2
85.02921	3.2
87.46397	1.9
91.05471	7.3
103.05464	2.0
105.07045	3.7
106.04128	2.2
107.04967	35.4
115.05456	6.6
116.06211	2.9
117.07022	3.3
123.04426	6.4
124.05205	5.9
125.05973	2.2
128.06236	4.6
129.07008	9.1
129.46231	2.3
131.08556	10.9
133.06442	3.1
141.06981	7.3
144.05736	8.9
145.06451	6.7
151.03940	3.2
152.04697	3.2
156.05714	16.4
157.06458	3.0
158.07246	2.6
159.08095	17.3
163.03911	3.1
165.07008	2.6
167.07060	100.0
169.06438	3.6
170.07294	2.2
172.05199	2.6
173.05977	4.6
177.05350	2.3
179.06995	3.7
181.04919	4.0
181.08684	2.4
184.05212	4.1
186.06754	4.9
187.07503	12.5
189.07040	2.8
190.06247	2.7
190.07780	3.6
191.06967	4.9
191.08620	3.4
194.07399	2.1
195.06529	3.4
197.08020	2.2
202.06273	9.4
203.08595	3.2
204.07704	2.7
205.08548	20.2
205.10016	2.1
207.06512	6.8
208.05235	16.4
211.07594	3.0
217.08609	45.7
218.07259	2.6
219.08037	12.6
219.10205	5.6
220.08849	5.0
221.05923	6.4
222.03134	2.8
225.05431	2.3
227.06929	2.6
229.08589	5.0
231.07999	6.7
233.09677	6.0
235.07542	4.5
236.04678	5.3
236.08318	5.1
237.08939	2.3
238.06148	2.6
239.06995	3.6
245.09584	4.3
247.07472	16.4
247.09708	27.9
248.08292	12.3
249.05467	3.7
249.09192	6.4
251.10538	3.1
254.05774	9.8
259.07568	4.8
261.09119	6.4
262.09845	4.6
263.07062	4.3
263.10645	9.9
264.07764	8.9
265.08578	7.5
267.06509	4.9
269.08167	19.5
271.09659	8.3
272.06812	3.9
274.06332	2.5
275.07034	9.3
276.07773	8.6
277.08566	6.5
278.05746	2.6
279.10217	9.7
281.07983	3.7
282.05490	3.8
282.08908	10.8
284.06888	3.8
290.09311	4.2
291.10098	17.5
292.07343	5.7
293.08200	10.3
297.07510	2.1
299.09067	6.4
300.06329	2.4
300.09723	2.7
301.06955	3.0
305.08090	5.2
305.11417	2.7
307.09695	13.1
308.10309	6.4
309.07700	3.0
309.11017	2.4
310.08392	7.2
311.12918	5.0
315.08612	64.5
316.09406	3.3
319.09607	9.1
321.07513	2.9
323.12839	16.4
328.09579	5.6
330.10995	74.0
331.11771	17.2
336.09744	5.5
337.10608	8.7
339.12219	10.9
343.11777	17.1
350.11185	2.8
351.12335	30.5
352.12943	2.8
353.10117	6.9
356.12714	3.3
368.12531	9.8
369.13293	5.3
371.14789	9.2
373.15897	2.1
383.14902	62.6
401.16068	19.1
401.28815	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	401.1599
Annotation	Pyramidatin F
Peak:m/z	Relative Intensity
50.34978	0.9
55.01868	1.0
58.99194	0.9
67.05523	1.4
69.07069	1.7
71.58438	1.1
76.62654	0.9
79.05518	3.8
81.07069	2.7
87.84632	0.9
91.05467	5.4
93.07069	1.5
95.04984	1.3
95.08658	1.5
97.06557	2.6
105.03426	1.2
105.07038	1.2
107.04986	2.4
107.08613	2.0
108.05773	1.5
109.06557	2.5
109.10162	1.6
109.51682	0.8
111.08105	1.8
117.07076	1.0
119.08620	2.4
121.06533	2.9
121.10186	0.9
123.00865	1.0
123.08097	1.2
125.05991	6.5
129.07039	1.4
131.08635	1.2
133.02872	1.3
133.10147	1.1
135.04439	2.8
137.05977	1.2
138.06747	1.0
139.07570	2.2
141.05486	2.6
142.07864	0.8
145.10121	1.1
147.08095	2.4
149.02393	1.9
149.05981	15.1
150.06763	9.4
150.07672	0.8
151.03957	1.7
153.09169	1.9
157.06444	0.9
159.11685	1.0
161.02332	7.5
161.06049	3.1
163.03987	1.9
165.83939	1.0
167.07066	10.7
175.03944	1.9
175.07594	1.9
181.08594	0.8
185.05933	4.3
187.03975	2.4
193.05037	1.5
199.09811	2.0
201.05432	1.1
203.07043	100.0
204.07425	1.7
218.07611	1.0
235.07642	1.1
237.05717	1.4
237.09286	1.1
239.07098	1.0
251.07213	1.3
253.08530	1.9
255.06558	0.9
261.09277	2.9
263.07147	3.7
264.07813	0.9
267.10284	2.4
269.08316	1.1
278.09464	2.3
279.10162	7.7
281.08090	15.8
281.10941	1.4
283.13391	1.9
291.06543	0.9
295.09802	3.0
297.11377	3.7
297.14777	1.1
306.08850	1.7
307.09729	4.3
309.11414	2.0
309.41052	0.9
311.12912	3.0
321.11224	5.3
323.09366	1.6
323.12808	1.1
325.14508	1.6
327.12311	1.2
337.10614	4.3
339.12305	41.2
340.12775	1.0
341.13898	8.3
351.12512	2.9
369.13321	8.2
401.16156	33.5
401.30856	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.16
Annotation	Pyramidatin F
Peak:m/z	Relative Intensity
56.96578	3.8
65.52602	1.5
67.05503	5.1
69.07069	2.4
71.48609	1.6
71.55903	3.5
72.44315	1.6
74.15569	2.0
79.05492	7.7
81.07058	5.3
83.04971	1.7
83.17941	1.8
84.56245	1.9
91.05484	10.0
93.07047	4.0
95.04979	2.3
95.08629	3.0
97.06537	2.3
99.59567	1.7
105.03381	1.9
105.07037	3.9
107.04942	2.7
107.08566	1.8
108.05679	1.7
109.06516	3.1
109.10156	2.6
109.74239	1.6
111.08080	4.0
119.08591	4.4
121.06533	3.1
125.05999	8.3
129.07002	2.7
134.51138	1.8
137.05963	3.1
139.07512	4.6
141.05472	4.3
147.08073	4.4
149.06007	16.9
150.06783	11.4
151.03894	2.4
157.10063	2.0
158.96417	2.0
161.02361	9.3
161.05951	3.6
167.07069	13.9
175.07529	2.1
185.06056	2.7
203.07037	100.0
204.07353	2.1
219.08270	1.9
235.02734	2.0
247.64870	1.9
253.08517	2.8
261.09106	3.1
263.07175	3.8
277.08798	2.2
278.09491	2.2
279.10208	7.9
281.08133	18.6
295.09741	5.0
297.11380	3.6
306.08630	2.0
307.09683	4.5
309.11227	2.4
311.12637	3.3
321.11279	6.9
323.09210	2.8
325.14279	3.3
337.10760	6.5
339.12286	44.8
341.13867	14.6
351.12436	3.1
361.03961	2.6
369.13300	8.7
395.14877	2.2
401.15979	32.6
419.07861	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	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	11.4
69.07077	5.6
70.06600	42.7
71.04984	4.7
71.06910	4.8
71.14512	6.3
71.14833	7.5
72.08157	12.8
74.21587	4.6
79.05483	17.1
81.03422	7.8
81.07059	4.9
85.02911	15.0
86.09711	19.1
91.05493	14.3
93.07030	4.6
94.96912	4.9
95.01201	4.4
95.04966	8.0
97.02924	12.8
99.58821	4.8
105.07020	10.8
107.04945	31.8
111.08087	9.2
115.05479	5.8
121.06504	7.1
123.04449	5.8
127.03932	11.3
129.07002	10.0
131.04932	5.6
131.08537	6.1
137.06055	4.9
137.09673	6.2
144.05742	9.5
145.06525	5.7
149.06000	9.5
151.03886	6.5
153.01822	23.6
154.08662	12.7
156.05690	11.0
159.08081	19.2
167.07057	100.0
172.05240	4.7
173.06093	7.8
177.05479	13.0
181.04962	6.5
181.08609	5.1
187.07521	8.4
190.06209	4.8
191.07114	4.3
202.06316	5.7
205.08652	10.5
207.06558	8.4
208.05237	18.1
217.08647	27.0
219.08080	12.3
219.10133	6.5
221.05969	7.4
229.08559	8.6
233.09665	6.0
235.11354	7.3
236.04700	6.0
237.09146	6.1
247.07565	18.3
247.09709	19.4
248.08354	14.1
251.10667	5.0
254.05701	10.6
263.10696	12.1
264.07721	5.5
265.08615	8.4
267.06454	8.9
269.08057	24.7
271.09622	5.6
272.06769	6.3
275.07117	7.2
279.10229	12.6
282.05841	4.8
282.08908	14.8
284.06995	5.4
291.10168	17.7
292.07309	5.7
293.07993	7.3
296.10504	5.5
308.10358	6.0
310.08426	9.0
315.08612	84.0
323.12778	19.2
328.09421	5.0
330.10974	73.8
331.11667	6.9
337.10556	5.5
339.12411	7.9
343.11823	26.8
351.12369	27.0
352.13019	5.9
353.10242	6.1
357.15100	13.2
368.12604	5.5
369.13080	5.6
371.14807	7.6
383.14868	67.2
401.13962	25.8
401.18628	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.05519	1.5
65.03979	1.7
68.99761	1.6
69.03420	1.9
70.06592	3.6
72.08142	3.8
78.04679	2.5
79.05498	18.8
81.03416	2.9
81.07024	4.5
84.08122	1.8
85.02901	4.4
86.09700	6.5
91.05463	8.6
95.04963	6.0
105.07051	3.6
107.04958	33.7
109.02895	2.0
115.05450	3.8
116.06286	3.7
117.06997	4.3
121.06487	3.3
123.04442	4.8
124.05188	6.2
125.05956	2.7
128.06204	4.7
129.07022	9.1
130.06490	1.8
131.08607	10.9
132.05713	2.2
133.06477	2.6
135.04468	2.3
136.07521	1.6
137.05994	2.4
139.91788	1.6
141.06996	3.6
144.05731	8.7
145.06485	6.6
149.05916	1.7
151.03844	2.3
151.07558	2.6
152.04637	4.3
153.05438	2.0
154.08621	13.1
156.05701	16.1
157.06493	4.6
158.07274	3.0
159.08073	15.1
159.09256	2.5
161.06013	3.7
163.03944	3.5
165.07001	1.9
167.07051	100.0
169.06390	1.8
169.07698	3.3
170.07256	1.9
173.05940	4.7
179.07117	2.7
181.04988	2.6
181.08638	3.5
183.22908	1.6
184.05246	3.9
186.06767	3.1
187.07547	9.2
190.06270	1.8
190.07826	2.8
191.06955	3.2
191.08527	3.5
193.06598	2.7
193.08548	1.6
195.06448	3.8
197.06000	2.1
197.07997	2.1
200.08492	2.4
202.06204	6.5
202.07892	2.4
203.06909	2.1
203.08548	2.2
204.07780	2.8
205.06636	2.1
205.08537	17.1
207.06499	6.1
208.05215	27.2
208.08513	1.6
209.05879	2.1
209.07944	2.3
210.06735	4.1
211.07565	3.5
217.08615	39.2
218.07240	6.6
219.08023	13.2
219.10181	6.9
220.08879	6.6
221.05914	6.3
226.06223	3.1
227.07019	2.3
229.08604	6.6
231.08028	8.0
231.10072	2.8
232.08891	3.4
233.05963	3.7
233.09595	5.3
234.06728	2.5
235.07607	3.4
235.11179	1.8
236.04701	9.0
236.08330	3.9
237.09175	2.7
238.06236	2.5
239.07008	2.5
240.04132	4.3
241.08565	2.1
245.09497	2.0
246.06732	2.1
247.07469	16.5
247.09692	24.8
248.08311	11.9
249.05472	3.9
249.09074	5.2
250.06317	3.1
251.06876	1.7
251.10661	2.9
254.05777	9.3
255.06535	3.0
256.07346	1.7
258.15973	2.1
259.07483	3.8
261.09134	5.2
262.06271	2.9
262.09805	5.8
263.07086	5.5
263.10608	13.9
264.07806	7.9
265.08658	5.3
267.06418	7.8
268.03674	3.7
268.10895	1.6
269.08084	25.7
271.09644	8.5
272.06808	5.0
275.07013	7.8
276.07782	9.4
277.08572	4.8
279.10226	10.5
281.08017	3.0
282.05319	5.5
282.08844	15.1
284.06577	3.6
285.07547	2.3
287.09122	4.3
290.06357	1.7
290.09384	7.2
291.10187	16.9
292.07352	2.3
292.11050	2.2
293.08060	8.9
295.09656	2.5
296.10620	2.1
299.09106	4.0
300.06271	1.9
301.07065	2.2
305.08133	3.7
305.11441	2.3
307.09631	13.4
308.10361	6.5
309.07654	1.8
309.11057	3.2
310.08389	9.8
310.11368	1.7
311.12778	3.5
313.07233	1.7
313.10944	1.7
315.08640	85.9
316.09293	2.4
318.08966	2.5
319.09552	10.2
321.07407	4.9
321.10983	2.6
322.08414	3.4
322.11850	3.0
323.12811	13.6
325.10617	3.5
330.10999	89.4
331.11649	9.2
335.09033	2.2
336.09915	4.6
337.10599	8.2
339.12473	9.4
343.11862	19.1
351.12277	34.1
352.12830	4.2
353.10126	7.6
356.12396	4.2
357.14987	3.6
368.12610	11.1
369.13019	3.6
371.14816	5.3
383.14908	65.1
384.14984	2.2
401.16745	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	400.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.7
57.07071	1.7
58.06589	1.8
65.03970	1.5
67.24883	1.1
69.07085	6.0
69.90169	4.3
70.06598	11.7
79.05459	1.2
81.07085	1.5
83.08620	2.8
84.08160	1.4
86.72411	1.0
88.07150	2.0
88.07639	25.3
91.05486	78.6
92.05862	1.1
97.10190	1.6
102.09194	10.0
105.03416	1.8
166.07799	3.7
177.05504	1.7
178.07808	1.5
178.14552	1.2
179.08594	4.6
181.10167	4.0
189.05507	9.2
191.08630	3.5
194.07271	1.6
196.08823	1.6
203.07188	1.2
207.08066	1.9
209.09622	3.4
211.11273	1.3
213.09135	1.4
219.08131	2.6
224.08345	2.1
237.09154	4.5
239.10683	3.4
249.09172	1.4
267.10181	100.0
268.07776	1.2
268.10590	2.7
285.11258	2.4
323.16452	45.4
324.16745	1.4
338.34152	22.4
365.12991	2.3
365.17545	35.9
366.17953	1.6
368.96841	1.2
382.36951	1.6
400.14795	5.0
400.37891	78.9
420.74963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1234
Annotation	trans-Hydroxypiscerythrone
Peak:m/z	Relative Intensity
53.03955	1.6
55.05495	2.0
57.07087	1.6
66.47012	1.3
67.05502	3.9
69.03424	1.9
69.07054	2.8
71.57605	2.7
74.06458	1.5
79.05493	3.6
81.07063	7.9
83.04976	2.4
83.08626	1.7
85.02921	2.9
86.68044	1.5
91.05487	4.4
91.07402	1.6
91.44942	1.5
93.07045	5.4
95.04960	2.1
95.08595	6.3
95.49271	1.9
98.97605	1.8
105.07020	6.5
107.04931	2.2
107.08582	7.1
109.06574	1.9
109.10165	2.0
119.08517	4.1
121.02905	3.2
121.06559	2.3
121.10126	2.5
125.05995	2.2
131.08530	2.0
133.10133	4.1
135.04413	2.7
145.10149	2.2
147.08093	1.7
147.11668	2.5
149.02357	1.8
151.03886	4.0
151.07460	1.9
153.05467	4.6
157.10068	2.5
159.08058	2.2
159.11719	2.2
161.02344	2.1
167.07184	3.5
173.13226	2.0
177.05524	4.7
177.12566	1.8
181.04906	5.3
183.11861	1.7
185.05910	2.4
187.03946	4.8
199.14830	1.9
203.07019	30.2
205.04991	5.3
209.13243	1.8
255.06526	7.2
267.06601	2.2
273.07462	4.0
279.09955	2.2
281.08020	3.8
291.06421	7.9
297.12225	1.8
301.10632	2.6
307.09528	5.9
309.07635	32.9
309.11136	3.2
315.08701	2.2
323.09116	2.7
327.08145	3.0
330.11163	1.9
353.10352	9.4
355.11697	5.7
365.09909	3.7
369.09723	3.2
383.11240	100.0
384.11600	4.0
401.12183	16.1
401.21970	5.8
401.31622	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	400.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85174	0.6
53.03937	1.5
53.83367	0.5
55.01858	1.4
55.05507	4.2
56.05025	0.8
56.96557	1.1
57.03433	2.3
59.05007	1.0
60.08318	0.6
61.02926	3.0
62.60599	0.6
69.03133	0.6
69.03438	7.7
69.07728	0.5
69.51837	2.9
69.52250	1.3
70.06591	4.9
71.04991	1.5
72.07867	0.5
72.08159	6.0
73.02908	1.6
73.06562	4.6
76.73023	0.5
79.05488	2.3
81.03424	4.8
82.06568	1.0
83.04986	0.9
84.08155	2.6
85.02425	1.1
85.02912	16.6
86.09707	1.9
87.00822	0.8
87.04474	1.6
90.73215	0.5
91.03971	1.1
91.05481	4.0
93.07013	0.7
95.04965	0.8
96.08128	0.7
97.02901	7.4
98.09699	0.5
98.97582	2.2
99.04453	1.6
102.05556	1.1
103.05459	6.2
105.01865	0.6
105.03325	0.6
105.07037	5.5
106.02937	0.9
106.06565	0.7
107.04935	2.2
109.02885	2.4
110.07147	1.0
110.20847	0.6
116.07096	1.0
116.98636	0.7
117.03381	0.8
117.07037	5.6
117.09108	0.8
118.06525	0.8
120.08111	37.8
121.08457	0.7
122.02271	0.7
122.05987	0.7
124.03931	0.7
124.07628	1.4
127.03960	4.9
129.07024	1.3
131.04932	3.9
132.93065	0.5
133.28410	0.7
134.09669	7.4
135.10168	1.4
136.07516	1.0
137.05919	0.7
142.07777	0.9
144.08073	0.8
145.02888	1.1
145.04909	2.8
149.06018	0.7
152.07086	1.8
152.10719	7.2
153.05424	0.9
156.10207	0.9
157.10130	0.7
166.08650	3.1
167.07028	1.0
174.12790	37.5
174.41388	0.5
175.13144	0.6
177.05458	2.6
181.04921	1.2
192.13843	33.2
202.08746	0.6
206.13826	1.1
219.01801	1.6
220.09801	1.0
220.13350	12.1
238.14391	100.0
239.14851	2.6
288.94461	0.6
315.10712	0.9
357.11526	2.3
382.18542	0.6
400.11618	1.1
400.20041	7.3
401.10428	7.2
401.18228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1636
Annotation	His Glu Asn
Peak:m/z	Relative Intensity
52.97885	0.4
53.03945	0.5
57.03456	0.5
61.51615	0.4
65.27121	0.4
67.05509	0.7
67.52364	0.4
69.03426	1.7
69.07078	0.6
69.23763	1.4
69.24185	2.5
70.06586	2.2
71.04993	0.5
73.50817	0.4
79.05481	0.8
81.03413	1.4
81.07047	1.5
83.04973	0.6
85.02911	2.0
86.09688	1.2
91.05482	1.2
93.07040	1.5
95.04965	1.3
95.08614	1.6
97.02895	0.7
98.21599	0.5
99.04478	0.5
101.03501	0.5
105.07024	1.3
107.08596	0.7
109.02872	0.8
109.06496	1.3
109.10163	0.7
111.04436	0.6
119.04890	0.5
119.08652	0.5
120.44733	0.5
121.06512	0.6
123.11747	0.5
127.03909	1.0
133.10133	0.8
135.08089	0.7
137.06001	0.6
147.04439	1.1
147.11717	0.8
149.09676	0.6
151.11194	1.4
165.05505	0.6
185.04205	0.5
193.04242	0.4
209.11685	0.4
213.12764	0.5
219.10030	0.9
229.15428	0.9
237.11032	5.2
323.52213	0.5
399.16312	100.0
400.12167	0.5
400.16605	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	400.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
55.01871	1.0
55.05515	0.2
56.96553	0.3
57.03221	0.2
57.03444	2.1
60.06189	0.2
61.02914	0.3
69.03110	0.3
69.03436	2.8
70.06583	0.4
70.17532	0.9
71.01363	0.3
73.02917	1.2
81.03401	0.5
81.16312	0.2
85.02907	2.3
87.04471	0.5
89.06026	0.4
94.04043	0.6
97.02895	2.8
98.97583	1.0
99.04500	0.2
103.18582	0.2
109.02861	0.2
115.03895	1.1
116.98587	0.4
119.03545	1.2
127.03934	0.5
133.04979	1.0
136.06192	100.0
137.04568	0.7
137.06506	0.7
145.04990	0.4
158.99707	0.2
198.95541	0.2
228.67641	0.2
237.02841	0.5
265.06479	0.3
268.10422	8.0
306.49219	0.2
337.07910	0.2
400.14719	3.1
401.15521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.9
55.01871	1.1
55.05510	1.1
57.07065	0.9
67.05489	2.6
69.07057	2.4
69.37067	5.0
70.06569	1.8
79.05508	3.8
81.07066	3.5
83.04965	0.7
83.08617	1.1
83.59547	0.7
85.02908	1.0
91.05456	3.7
93.07032	3.0
95.04980	2.3
95.08627	3.9
97.06518	2.8
98.97574	0.8
99.04451	0.8
103.05429	0.9
105.07033	2.8
106.60729	0.7
107.04952	2.2
107.08591	2.2
109.02858	1.6
109.06507	1.4
109.10151	1.3
111.04417	0.8
119.04926	1.0
119.08545	2.8
121.06489	1.3
121.10146	1.6
123.04382	1.2
128.06197	1.0
129.07048	1.1
131.04955	0.8
131.08574	1.2
133.02808	0.8
133.06448	1.2
133.10130	0.9
135.04396	1.8
141.07016	0.8
143.08562	1.2
145.06483	1.0
145.10078	1.1
147.04399	3.2
147.11649	1.7
151.22911	0.7
153.01801	3.1
153.05463	1.5
155.08650	0.9
159.04449	0.8
159.11736	0.8
161.05942	1.4
165.05475	1.3
165.06920	0.8
167.07063	1.9
169.04987	0.8
169.10124	1.1
171.04384	0.8
171.08072	1.0
173.05974	1.3
173.13068	0.9
175.03990	1.5
175.07602	0.9
177.05525	0.8
179.03267	1.4
179.07056	0.8
181.10219	0.9
185.09566	1.4
189.05428	2.0
189.09071	0.7
191.08681	0.8
195.08124	1.2
197.05858	0.9
199.07538	4.2
201.05508	1.9
211.07620	1.8
213.09163	2.4
217.04968	2.8
221.05975	1.5
223.07509	1.7
224.08244	1.2
227.07031	2.3
228.04126	0.8
229.04988	1.5
229.08620	0.9
231.08066	1.1
233.09720	2.4
234.06789	1.0
235.07446	1.8
236.08299	1.0
237.05473	1.3
237.09087	2.8
238.06131	0.9
239.06999	1.5
241.08611	1.8
245.04416	2.9
245.08073	1.5
249.05324	1.2
249.09264	2.1
250.06212	2.6
250.08801	0.8
251.06963	4.1
251.10779	1.4
252.07843	3.1
253.08524	1.4
257.04474	1.2
259.09766	1.3
261.05740	0.8
261.09152	2.8
263.07083	1.7
263.10391	0.9
264.07846	4.3
264.11447	2.1
265.05707	1.3
265.08612	13.0
266.05835	1.3
267.06674	3.5
267.09628	0.8
269.07996	0.9
273.04016	3.7
274.09882	1.6
275.07242	1.1
275.10617	1.6
276.11353	1.5
277.05304	1.3
277.08597	4.6
278.09360	1.5
279.06543	5.0
279.10223	2.4
279.13614	1.7
280.07281	2.0
281.08099	5.3
283.06396	1.0
283.09619	1.4
285.03912	1.6
285.09134	1.3
286.09836	1.7
287.07187	1.4
288.07800	1.7
289.08673	2.9
289.12207	2.1
290.05682	1.0
291.06479	4.4
291.10208	2.6
292.07324	4.6
292.10999	3.1
293.08066	5.6
293.11703	2.4
294.08829	4.7
295.09665	13.9
299.05569	2.5
301.03497	4.4
301.08508	3.7
302.04233	5.3
302.09335	3.2
303.04959	3.4
303.10284	3.1
304.10956	2.0
305.08066	6.2
306.08838	1.8
307.09653	10.9
307.13336	7.8
309.07544	1.4
309.11038	1.9
310.11887	2.1
313.03424	9.3
317.11716	11.4
319.09485	1.8
320.10483	6.1
321.11197	1.4
322.11984	1.9
325.14325	1.7
330.08746	1.0
333.07657	4.0
335.12784	100.0
336.13116	3.2
348.10126	1.3
353.13858	42.2
354.14093	1.7
355.08112	6.2
363.12296	17.5
381.13370	19.1
381.26437	0.8
399.10684	27.8
399.14493	18.3
399.27200	13.0
400.10620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1441
Annotation	(R)-(+)-Ligulaodonin A
Peak:m/z	Relative Intensity
55.05513	3.9
55.95226	1.5
57.07073	3.3
63.50245	1.5
67.05492	2.3
69.07058	4.4
71.58282	1.6
78.54682	1.5
79.05494	3.9
81.03406	1.6
81.07051	6.9
83.08609	1.6
85.21834	1.5
91.05479	7.0
93.07034	2.7
95.04968	3.0
95.08601	3.4
101.05990	1.7
104.19701	1.7
105.07018	5.7
107.04952	5.7
107.08591	2.3
109.06445	1.7
109.10149	2.7
111.04411	2.2
119.08566	2.5
121.10144	2.0
123.11724	1.8
125.05981	3.0
131.04857	1.6
131.08601	2.3
133.02849	20.9
134.45761	1.5
135.04439	4.1
137.05991	5.6
138.03108	1.7
145.10130	2.3
147.04395	3.7
147.08061	5.2
149.05992	2.5
151.03952	2.0
153.05473	26.2
155.08553	2.6
160.73776	1.8
161.05966	4.2
161.09706	2.2
162.03142	1.8
163.03987	2.5
164.01022	1.6
165.05478	12.8
167.03426	2.7
167.07054	2.8
173.09732	1.9
175.03946	2.3
177.05501	14.1
177.09129	9.4
179.03395	9.1
183.06535	4.7
183.08043	3.1
185.06024	2.1
187.07668	1.8
189.09135	14.0
190.06268	1.6
195.06519	6.7
195.08124	3.1
197.98848	1.6
198.36858	1.6
199.07481	2.0
201.09138	6.4
203.07031	21.9
205.05002	12.1
211.07639	6.8
213.09151	5.0
214.06221	2.1
226.06215	2.9
227.07091	2.0
229.08594	46.1
231.10243	4.3
241.08556	5.9
251.00407	1.6
259.09625	9.7
265.08789	1.9
288.07782	2.7
295.09430	1.6
305.08188	1.8
320.07040	2.2
320.10611	1.9
321.07565	1.6
321.11301	1.8
323.09384	1.8
331.09726	2.7
333.07623	1.6
335.12817	3.5
341.14081	3.0
351.12259	5.6
353.13913	9.8
363.12296	13.4
381.13330	9.7
399.14435	100.0
399.30966	12.5
400.14548	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	399.1443
Annotation	Monomethyldihydromitorubrin
Peak:m/z	Relative Intensity
53.03946	1.5
55.01886	1.6
55.05511	1.1
57.03428	0.9
65.03953	4.6
67.05502	2.2
69.03428	1.7
69.07080	0.9
70.58755	2.5
77.03936	0.8
79.05505	2.9
81.03429	1.4
81.07071	2.4
83.04983	0.9
84.08143	1.7
85.02911	2.2
89.03977	1.0
91.05502	5.4
93.03416	5.9
93.07047	2.4
93.59698	0.8
94.51463	0.9
95.08614	0.9
97.02903	1.3
97.06543	2.2
103.05488	1.4
105.03419	1.7
105.07056	2.0
107.04987	3.3
107.08613	2.0
109.10135	1.2
111.04484	5.0
114.94547	0.8
115.05474	0.8
117.06970	1.1
119.04947	8.8
119.08609	1.6
121.02895	3.3
121.06556	3.4
123.04475	1.9
125.06036	3.3
131.04953	1.5
131.08559	0.8
133.02870	33.5
133.06543	0.9
133.10201	1.1
135.04425	12.0
137.02345	1.9
137.05959	6.9
138.50768	0.9
143.08548	1.1
143.16022	0.9
145.06549	2.1
147.04422	12.9
147.08121	2.0
147.11726	1.1
149.02361	18.5
149.03479	1.4
149.06053	2.7
151.03976	1.3
151.05023	4.1
153.05476	18.8
159.04430	20.5
161.02315	5.0
161.05965	5.7
161.09683	1.3
162.03159	2.2
163.03917	10.5
164.04732	2.0
165.05489	42.9
167.03436	11.6
167.08836	0.8
171.04428	8.0
171.08066	0.8
173.06046	3.2
175.07649	2.8
177.05486	35.5
178.06255	32.2
179.03398	1.2
179.07048	2.6
181.04970	1.3
185.06027	1.3
187.03954	2.9
189.09158	6.1
195.08049	7.3
198.06836	2.5
199.03928	1.0
203.07042	13.8
205.05101	2.2
207.10223	3.1
207.13771	1.3
213.09116	19.7
213.10965	1.3
221.08090	11.6
229.08704	1.9
231.10179	25.2
232.10736	1.2
237.14890	6.8
241.08653	4.8
245.04588	1.4
259.09747	5.2
267.06671	2.4
299.09213	2.1
301.03259	1.3
309.07687	2.0
313.03564	2.8
327.08752	3.0
339.08630	11.3
353.13901	4.4
355.08228	2.3
363.12363	1.1
371.15076	1.3
381.09421	0.7
381.13403	21.0
399.14581	100.0
399.20233	4.1
399.27515	2.4
400.14899	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	399.1441
Annotation	(R)-(+)-Ligulaodonin A
Peak:m/z	Relative Intensity
53.03944	1.0
55.01877	1.0
57.03425	0.8
57.69741	0.6
59.75018	0.5
60.70529	0.5
65.03944	3.4
67.05506	1.0
67.66084	0.6
68.99788	0.6
69.07059	1.0
69.41681	2.8
69.42103	1.4
77.03942	0.7
79.05499	1.7
81.03405	0.7
81.07048	1.6
83.04985	0.6
84.08146	0.9
84.38333	0.5
85.02952	0.8
91.05489	3.7
93.03413	3.4
93.07021	0.7
95.08600	1.0
97.06536	1.7
103.05489	1.2
105.07035	1.3
107.04976	1.8
107.08565	1.4
108.02097	0.9
109.06503	0.7
111.04452	3.7
117.07056	1.3
119.04949	5.1
119.08575	0.7
121.02894	2.8
121.06516	1.8
123.04401	0.9
125.05989	2.1
131.01257	0.6
131.04955	1.8
133.02869	18.2
133.06538	0.7
133.10118	0.8
133.11095	0.6
135.04436	11.6
137.02339	1.6
137.05989	4.1
141.05453	1.1
145.06526	1.8
147.04414	9.1
147.08060	2.3
149.01167	0.7
149.02362	13.5
149.05989	2.9
151.05060	1.8
153.01898	0.7
153.05479	10.7
159.04431	16.4
161.02376	1.1
161.06026	3.3
162.03156	0.8
163.03905	7.4
165.05496	19.9
167.03419	7.8
167.07117	0.8
170.07326	0.6
171.04489	0.6
171.08124	0.8
173.05988	2.7
175.03860	0.8
177.05482	22.0
178.06271	17.5
179.07010	1.6
182.84659	0.6
185.05986	1.1
185.09706	0.7
187.03943	2.6
189.09167	4.3
191.07175	0.6
195.08069	5.0
198.06787	1.6
201.05624	0.6
203.07031	8.5
205.04987	1.6
206.05754	0.7
207.10196	4.0
210.54686	0.6
211.07524	0.8
213.09125	11.0
221.08090	9.8
229.05110	0.6
229.08636	1.1
231.10168	26.4
241.08611	1.0
259.09641	4.4
267.06589	2.5
281.08066	0.7
293.08112	1.1
299.05991	0.8
299.09247	2.4
309.07834	0.8
313.03482	1.9
321.07574	0.8
327.08588	2.9
349.10425	0.6
353.13907	2.3
355.08218	2.0
371.14902	6.1
381.13815	3.0
399.14499	100.0
399.27328	3.1
400.14749	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.144
Annotation	(R)-(+)-Ligulaodonin A
Peak:m/z	Relative Intensity
55.01886	1.5
55.96936	1.0
57.07064	1.9
67.05490	3.4
69.07059	2.1
73.63049	1.2
79.05480	3.2
81.07052	5.3
83.05001	1.4
85.68085	1.2
90.93398	1.3
91.05498	3.5
93.07057	3.7
95.04961	1.8
95.08611	3.7
105.07038	3.4
107.04972	4.0
107.08581	1.8
109.02874	1.2
109.06509	2.2
109.10146	2.7
111.04463	1.4
119.04957	1.9
119.08582	3.2
121.06460	1.6
123.04414	1.6
125.06011	1.3
129.05559	1.2
129.07008	1.7
131.04921	2.4
131.08577	1.4
133.02878	16.9
133.10133	1.8
135.04422	4.2
137.05980	3.7
139.03920	2.2
143.08606	1.7
145.10162	1.5
147.04401	3.9
147.08061	5.2
149.06039	2.2
149.13239	1.3
151.03918	3.1
153.05470	18.5
155.08641	1.4
161.02390	4.2
161.05978	5.4
162.03105	3.3
163.03941	1.8
165.05492	8.3
167.03351	2.8
167.07124	1.9
167.08434	1.3
171.08069	2.5
173.05981	1.5
173.09578	1.6
175.03992	1.3
177.05470	10.7
177.09056	5.6
179.03415	5.0
183.06561	1.9
183.08026	1.7
185.05977	3.9
185.09683	2.1
187.03922	1.9
189.09140	12.4
190.06148	1.5
193.04968	1.4
195.06496	3.9
195.08049	1.4
197.04384	1.4
198.06679	2.1
201.09132	4.2
203.07028	22.6
205.04967	16.5
205.08536	1.7
211.07452	3.0
213.05548	2.0
213.09120	6.3
214.06252	1.6
219.10202	1.8
225.28726	1.2
226.06279	4.3
227.07130	3.5
229.08589	36.8
231.10146	3.6
235.07744	1.2
241.08577	9.5
259.09683	7.8
275.10593	1.4
277.08832	1.4
295.09497	1.2
302.09247	1.4
303.10260	2.2
305.04657	2.2
305.08047	1.4
316.07196	2.5
320.10425	1.4
323.09119	1.6
325.13950	1.3
333.07501	2.3
335.12866	4.0
337.10550	1.3
341.14075	1.2
348.09937	1.7
351.12262	3.6
353.13748	8.1
363.08295	1.6
363.12296	13.8
381.13251	13.5
397.70639	1.2
399.14435	100.0
399.30945	13.2
400.14551	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1442
Annotation	(R)-(+)-Ligulaodonin A
Peak:m/z	Relative Intensity
55.01859	0.8
56.14462	0.4
57.83950	0.5
59.05005	0.9
59.32753	0.4
63.04450	0.4
63.49747	0.4
65.03942	3.5
67.05499	1.5
68.99786	1.1
69.21391	0.5
69.22685	3.8
77.03922	0.7
79.05499	1.1
81.03442	0.5
81.07030	0.8
85.02895	0.8
85.06515	0.5
88.66447	0.4
91.05486	3.9
93.03411	5.1
93.07022	0.8
95.04977	0.9
95.08595	0.8
97.06518	1.3
103.05473	1.4
105.03399	0.7
105.07029	0.9
107.04939	2.4
108.02115	0.5
111.04472	2.8
115.05478	0.8
117.07024	0.7
118.49722	0.4
119.04958	6.3
121.02892	3.5
121.03658	0.5
121.06466	3.2
123.04449	1.2
125.05996	2.3
129.07021	0.8
131.04938	1.4
133.02858	21.1
133.06544	0.5
135.04424	10.7
137.02365	1.7
137.05992	4.0
141.05431	0.7
145.06535	1.1
147.04428	9.7
147.08069	2.2
149.02350	15.0
149.06012	2.8
151.05048	1.9
153.01872	3.3
153.05478	12.8
159.04428	17.9
160.05075	0.5
161.02350	1.5
161.06009	3.8
162.03133	0.9
163.03926	7.1
165.05482	22.4
167.03406	7.8
170.07182	0.6
171.04433	0.9
171.08022	0.7
173.05966	2.8
175.03899	0.7
175.07578	0.8
177.05482	25.6
178.06250	18.7
179.07008	2.5
181.05000	0.6
185.06029	1.0
187.03914	2.9
189.09126	4.4
191.03641	0.5
195.08064	4.7
197.06007	0.6
198.06799	1.9
201.05588	0.6
203.07024	9.3
205.04962	1.2
207.10190	5.9
213.05626	0.7
213.09122	10.8
215.10474	0.5
221.05988	0.3
221.08095	9.9
221.10158	0.8
229.08643	1.8
231.10173	25.4
241.08641	1.7
243.58453	0.6
255.06650	0.8
259.09702	4.3
267.06613	1.1
295.06030	0.7
299.09106	2.7
309.07526	1.9
327.08725	1.9
353.13782	2.8
355.08292	1.2
371.14914	4.7
381.09256	0.8
381.13748	2.4
399.14450	100.0
400.14795	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1438
Annotation	(R)-(+)-Ligulaodonin A
Peak:m/z	Relative Intensity
51.36729	0.9
53.03957	1.2
55.05513	1.5
56.96560	1.4
59.94012	1.0
65.03944	1.3
67.05515	2.4
69.07070	1.6
71.08620	1.2
79.05479	2.6
81.07051	4.8
83.08617	1.4
88.07628	1.3
91.05458	3.3
92.66586	1.0
93.07050	2.2
95.04959	1.0
95.08604	2.3
98.20223	1.0
105.03389	1.9
105.07028	1.7
107.04955	3.5
107.08579	1.4
109.02868	1.9
109.06539	2.5
109.10159	1.6
119.04967	1.8
119.08600	1.9
121.06512	2.4
121.10175	1.1
123.04501	1.5
125.06036	2.0
131.04900	2.0
131.08600	2.2
133.02849	16.3
133.10123	1.6
135.04416	5.8
137.05966	3.1
139.03925	1.2
140.04796	1.0
145.10205	1.6
147.04395	3.6
147.08054	4.4
149.02382	1.9
149.06023	1.8
151.03894	2.3
153.05482	16.3
155.08653	1.6
159.04416	1.3
161.02347	2.4
161.05980	4.5
163.03929	3.0
165.05510	9.4
167.03392	2.1
167.08505	1.2
171.08067	1.9
175.03918	1.3
177.05478	12.4
177.09085	9.6
178.06200	1.7
179.03391	7.2
183.06516	3.4
183.08000	1.4
185.06053	2.0
187.03891	2.4
187.07521	1.2
189.09102	12.9
190.06293	1.0
193.04955	2.8
195.06532	8.0
195.08107	1.7
198.06712	1.4
199.07576	1.2
201.09103	5.5
203.07040	19.4
205.04994	10.5
211.07561	4.9
213.09152	4.7
214.06335	1.2
219.10179	1.1
226.06313	2.7
227.07069	2.5
229.08652	36.8
231.10268	5.7
241.08607	4.5
259.09650	6.3
277.08685	2.1
293.08221	1.1
293.11682	1.6
303.10196	3.1
305.04370	1.4
331.09552	2.0
335.12820	2.4
341.13748	1.6
348.10193	2.2
351.12396	3.5
353.13858	5.6
363.12299	11.8
371.14868	1.6
381.13272	7.2
399.14401	100.0
400.14780	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	399.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84711	0.3
55.05500	0.4
59.44388	0.4
62.88308	0.4
66.39671	0.4
67.05508	0.8
69.07061	1.2
69.84636	2.1
71.53607	0.4
79.05481	0.9
81.07043	1.4
84.08154	0.7
84.15492	0.4
85.02894	0.7
87.44394	0.4
93.07051	0.8
95.04974	0.6
95.08617	1.1
98.97552	0.5
107.04985	0.5
109.06502	1.5
116.50767	0.4
123.60645	0.4
133.02824	0.4
135.04385	2.0
137.06056	0.4
152.98273	0.9
153.05496	0.7
161.05899	0.5
164.98293	0.8
165.07028	0.8
169.06483	0.5
171.08031	0.6
178.07799	0.6
179.08505	0.7
185.06058	0.5
187.07684	0.5
189.09100	0.6
190.05020	1.0
194.07352	0.5
195.04642	0.4
195.08087	0.6
197.05998	0.7
199.07610	2.6
203.07025	1.0
203.08736	0.5
205.04820	0.4
205.06522	0.6
206.07272	0.6
207.08116	0.6
209.09668	0.9
211.07550	1.3
213.09135	0.6
215.06923	0.7
216.02898	1.0
217.08411	0.6
217.10316	0.6
218.07278	0.5
218.10957	0.4
219.08116	0.7
220.12363	0.4
221.05981	1.6
221.09621	0.5
222.06717	1.0
223.07600	0.9
223.11150	0.4
224.08229	0.8
225.09114	1.4
227.07066	1.3
229.08430	0.4
231.08032	0.9
233.05925	0.5
233.09653	1.4
234.06772	1.0
235.07487	1.6
236.04660	0.6
236.08266	1.1
237.05441	1.3
237.09091	2.3
238.06154	0.5
238.09659	0.6
239.07036	1.4
240.07716	0.5
241.08554	0.9
245.09692	0.6
246.10323	0.7
247.07683	0.4
247.11205	1.3
248.08318	0.8
248.12015	0.5
249.05435	1.2
249.09088	2.0
250.06224	1.5
251.07022	3.9
251.10818	0.6
252.07762	3.9
253.08678	1.9
255.06685	0.6
255.10022	0.7
257.09845	0.5
258.10318	0.5
259.07651	0.6
259.11130	0.6
260.08316	0.7
261.05542	1.3
261.09030	2.5
261.12772	0.6
262.06247	0.7
263.07123	1.6
263.10617	0.8
264.07819	4.9
264.11481	1.1
265.05347	0.7
265.08588	12.1
265.11633	0.5
266.05719	0.7
266.08743	0.4
267.06516	3.8
267.09863	0.6
268.07440	0.9
269.07925	0.7
271.07529	0.7
274.10028	2.0
275.07126	1.2
275.10699	1.5
276.04147	0.6
276.08224	0.5
276.11441	1.7
277.05310	0.7
277.08597	4.8
278.05627	0.5
278.09344	1.4
279.06540	4.8
279.10141	2.5
279.13779	1.6
280.07187	1.2
281.08102	4.5
283.09747	0.9
285.09143	0.8
286.10022	1.4
287.07178	0.9
287.10486	0.5
288.07718	0.6
289.08633	2.4
289.12256	2.4
290.05930	0.6
290.09259	1.2
291.06543	4.0
291.10156	2.3
292.07312	5.5
292.10941	3.8
293.08087	5.9
293.11676	2.6
294.08859	5.2
295.09677	14.9
297.11282	0.6
301.08630	4.6
302.09348	5.2
303.10187	3.3
304.07822	0.4
304.10883	2.5
305.04617	0.9
305.08112	5.8
305.11520	0.7
306.08768	2.5
307.09653	10.8
307.13293	6.9
308.10257	0.5
308.13654	0.5
309.07843	0.6
309.11169	1.9
309.14554	0.6
310.11884	2.0
311.09192	0.7
311.12582	0.5
317.08316	0.6
317.11722	11.3
318.12289	0.6
319.09579	2.7
320.10413	5.0
321.11200	1.4
322.11957	1.3
323.12711	0.9
325.14331	1.2
330.08969	0.7
333.07620	4.6
335.12784	100.0
336.13132	3.2
345.11398	0.6
348.09744	0.9
353.13837	43.0
354.14096	1.6
363.12271	15.8
364.12469	0.8
381.13351	18.5
382.13245	0.7
399.05075	1.2
399.14401	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	399.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05505	1.3
56.96568	21.5
57.03428	1.3
60.60323	0.8
69.03440	4.4
69.07063	1.9
70.06589	2.1
71.08636	1.2
71.57103	0.9
71.95258	1.1
72.08162	1.0
73.02914	1.1
74.97630	1.0
81.03429	1.8
84.96041	8.5
85.02923	6.0
85.35278	0.9
86.09682	1.3
87.04505	0.8
87.08106	1.3
91.05484	1.3
97.02898	7.2
98.97592	50.7
105.09154	1.2
109.02869	2.3
110.97572	21.3
111.04458	0.8
112.99125	5.6
116.98632	21.4
121.02860	1.4
121.06564	1.1
124.99100	1.8
125.02355	8.3
126.97068	0.9
127.03945	2.3
128.98624	23.1
131.00186	5.8
134.99660	4.4
136.06219	1.4
140.98634	3.0
143.00189	6.6
144.98126	2.4
145.05026	0.9
146.99654	10.4
147.04381	1.0
149.01225	1.7
149.06058	1.3
152.98579	2.3
158.99666	8.9
161.00386	0.7
161.01253	7.4
162.99139	1.5
170.01242	0.8
170.99658	6.7
173.01248	1.5
177.00700	10.4
177.02135	1.0
179.02266	1.1
181.52803	0.9
189.00679	4.4
193.01711	8.1
195.01660	1.7
195.03290	10.0
201.00742	3.7
211.02831	4.0
213.04356	6.7
219.01782	41.1
219.06500	4.9
223.02716	1.3
234.07231	0.9
237.02777	59.0
242.03342	1.0
249.04285	1.4
250.09618	1.1
255.03842	2.4
260.04449	1.9
279.05457	3.4
291.05298	1.3
297.06546	1.1
321.06439	1.4
339.07520	100.0
340.08011	1.7
357.08768	3.8
363.13416	1.5
380.31821	0.9
399.08707	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	398.9766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96290	0.4
56.96567	7.5
70.60751	1.0
71.95271	2.5
98.97589	99.5
111.79166	0.3
116.98631	42.2
130.93295	0.8
134.99664	9.1
135.00653	0.7
140.00229	0.4
146.80859	0.3
153.00735	0.9
154.93375	0.4
158.01233	0.4
172.94371	5.8
190.95425	3.3
190.99117	0.4
197.95140	0.6
208.96355	0.7
214.95387	3.4
232.96471	6.4
240.98843	0.4
250.97517	2.5
256.96454	18.3
258.99768	3.1
259.99957	0.3
274.97525	100.0
275.97925	0.8
277.00845	3.2
285.83234	0.4
292.98581	47.3
293.99014	0.4
297.99091	2.0
310.99588	0.4
316.00055	0.5
398.97638	1.1
416.98651	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	399.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
56.96568	48.6
57.03431	2.2
59.05002	0.9
61.02926	2.4
67.00413	0.8
67.05482	0.8
69.03425	7.1
69.56609	1.2
69.57018	3.8
70.06590	2.2
71.04995	1.1
71.95260	1.9
72.08163	1.6
73.02927	2.3
81.03426	2.7
83.04953	1.1
84.08142	1.6
84.23870	0.8
84.96039	14.1
85.02911	11.3
91.05484	1.4
93.07046	0.8
95.04981	1.0
97.02897	8.5
98.97588	100.0
99.04486	1.2
102.75961	0.8
102.97038	1.3
109.02879	2.2
110.97571	25.7
112.07625	1.4
112.99153	6.7
115.03966	1.6
115.08746	0.9
116.98624	38.6
119.01886	1.1
119.04967	1.3
121.02869	1.1
121.06449	0.9
124.99120	4.0
126.97059	1.4
127.03897	3.4
128.07143	0.8
128.98622	23.1
130.08617	1.4
131.00206	7.0
131.04987	0.8
134.99661	11.0
136.06210	5.6
137.05971	0.9
140.98560	4.3
143.00169	15.9
144.98126	3.9
145.04965	1.6
146.99649	9.9
147.03191	0.8
147.04390	1.4
149.01241	2.6
151.00703	1.3
152.98549	1.7
153.00772	1.1
155.00136	1.8
155.01906	1.2
155.04695	1.1
157.01694	1.0
158.99669	11.1
161.01239	20.6
161.04657	1.0
162.99153	2.1
165.00703	1.1
167.07077	2.1
169.01736	2.8
169.46515	0.9
170.99654	7.9
173.01251	3.0
174.04364	1.3
174.99098	0.9
176.98730	2.3
177.00700	10.9
177.05522	1.2
179.02289	3.3
182.99672	3.0
186.04366	2.4
187.02814	2.0
189.00771	6.1
189.02281	0.9
191.02277	1.3
193.01765	1.1
194.99655	11.3
195.01591	1.6
196.72054	0.8
197.01344	1.2
199.99922	1.0
201.00682	8.0
204.05524	0.9
207.01770	2.1
211.02756	2.2
212.02380	0.9
212.06233	3.8
213.00714	46.0
213.04138	1.8
216.93391	0.8
219.01765	46.0
225.00816	1.3
227.06743	1.3
227.57062	1.0
231.01744	22.0
236.04982	1.8
237.02806	49.4
241.04073	1.0
241.06609	1.1
242.03319	1.5
245.03444	1.0
247.06512	1.9
249.02696	1.1
250.09270	1.0
253.03922	1.3
255.01495	4.8
255.03824	2.4
260.04428	1.4
260.07272	0.9
261.02991	2.1
267.01724	1.3
273.00638	2.2
273.03149	1.4
279.01407	1.5
279.03864	2.7
281.02979	2.0
291.01767	5.5
297.02628	2.2
309.02963	1.5
318.07248	0.9
321.02942	2.8
327.03906	1.1
339.03955	14.7
339.07547	7.3
357.04785	20.7
371.13651	0.9
375.06076	3.3
399.05994	31.1
399.12546	8.9
399.17157	0.9
400.06363	1.4
400.14267	1.1
417.07013	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	398.2696
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03940	0.9
55.01863	0.6
55.05515	2.9
56.96552	0.8
57.03428	0.7
57.07068	1.8
57.69313	0.5
59.04991	0.7
66.29649	0.6
67.05515	5.1
68.05038	3.4
68.31362	0.5
69.03436	1.2
69.07067	3.5
70.06599	17.5
71.04993	0.8
71.55988	0.5
71.56375	0.6
72.08150	0.8
78.42850	0.5
79.05503	7.8
80.05013	0.6
81.03407	0.6
81.05797	0.6
81.07071	6.7
83.04965	1.2
83.08613	2.1
84.08139	1.3
85.02897	1.5
85.06534	1.1
89.24452	0.5
91.05486	9.3
93.07052	11.5
94.06569	1.2
95.05003	2.8
95.08614	5.7
96.08123	3.3
97.02878	1.0
97.06555	1.2
98.06063	1.5
98.09702	0.6
98.97591	2.8
100.07621	4.8
102.09177	0.7
105.07038	14.6
106.06557	1.0
107.07336	1.1
107.08594	8.7
107.36356	0.5
108.08119	2.4
108.08800	0.5
109.06522	1.3
109.10156	2.8
111.04462	0.8
114.05551	5.6
115.05464	0.9
116.07095	7.8
116.98679	0.7
117.07026	4.8
119.08595	16.0
120.08130	4.7
121.06520	2.8
121.10159	5.0
122.09667	3.1
123.04410	0.5
123.08036	0.6
127.03967	0.7
128.06235	1.5
128.07086	7.2
129.07007	2.7
130.07767	1.3
131.08586	10.2
132.08093	0.7
133.02913	1.1
133.09000	1.0
133.10138	7.8
134.09685	1.6
135.08101	2.7
135.11739	1.0
136.11217	1.3
137.05997	0.5
140.04626	0.5
140.07059	0.7
141.06978	1.0
142.07747	1.9
143.08563	5.7
144.09343	0.8
145.10132	9.6
146.09616	1.5
147.04442	0.7
147.08040	1.1
147.11662	2.5
148.11197	6.1
148.12263	0.6
149.09674	2.0
149.11995	1.2
149.13275	0.7
150.12741	0.7
151.06291	1.5
151.11250	0.6
153.05472	1.3
154.08650	1.8
155.08562	2.2
156.09337	2.2
157.10152	6.2
158.09677	0.7
158.10916	1.7
159.11693	3.9
160.11217	1.5
161.06174	0.6
161.09662	0.7
161.13255	1.1
162.12770	1.0
163.03908	0.5
163.11165	0.7
164.07141	0.7
165.05650	0.6
166.08698	1.2
167.08597	1.5
168.10243	22.0
169.10135	3.0
170.10899	1.0
171.10413	0.7
171.11684	3.2
173.13263	4.8
174.04073	1.0
174.12817	0.8
175.14821	2.8
177.00685	0.5
177.05476	0.8
178.08667	7.3
179.03313	0.6
179.08525	0.6
181.10184	1.5
182.10825	0.8
183.11682	4.3
185.13306	2.1
186.12770	0.8
187.14780	1.7
189.09099	0.9
191.14301	10.2
192.10167	3.5
194.11803	12.1
195.11790	1.4
197.13272	2.3
199.14859	1.6
201.12662	0.8
203.07191	0.7
203.14418	0.8
205.05000	1.2
206.11766	2.2
209.13292	4.1
211.14848	1.6
212.14339	0.7
217.05072	0.7
218.13844	0.7
223.14798	1.6
225.16483	0.7
229.08638	1.0
231.06474	0.6
232.13339	1.4
234.14990	1.8
235.14851	0.9
239.17935	0.9
245.04404	0.7
257.19092	0.9
258.14908	0.8
260.16431	3.1
264.65186	1.0
265.19586	1.3
267.21002	0.8
271.06036	0.7
273.15463	1.2
273.65643	1.8
274.15900	0.9
283.20734	0.9
285.22266	0.8
299.05704	0.6
301.03455	1.6
303.04837	0.7
306.20724	4.3
313.03497	1.5
338.86642	0.6
355.08179	1.4
380.25858	6.1
381.13437	0.7
383.24469	0.7
398.13052	2.6
398.26929	100.0
399.10132	8.0
399.15585	3.8
399.27176	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	398.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12150	2.3
52.69662	2.9
53.03941	3.7
55.01872	3.6
56.96560	3.6
57.03438	36.9
57.15448	2.2
61.02925	15.9
67.05503	4.4
69.03428	42.3
69.07071	37.5
70.06590	4.8
71.01341	4.9
71.04992	5.4
72.08148	8.5
73.02922	71.1
81.03409	9.2
81.07056	8.2
82.06610	3.0
85.02906	100.0
86.09690	3.4
87.04472	7.6
91.03968	4.5
91.05465	5.1
93.07065	5.2
94.06527	2.5
95.08585	4.9
97.02892	60.6
98.85085	2.6
98.97573	5.5
99.04447	3.8
105.07027	3.6
107.08610	3.1
109.02869	11.5
109.06537	3.1
111.08108	3.3
115.03929	47.1
121.02895	4.5
122.05994	3.3
123.04422	3.7
124.07597	8.7
127.03934	29.9
133.04980	13.9
145.04955	57.3
150.07614	2.9
158.99641	2.9
161.05872	2.7
163.06042	33.0
165.09116	3.3
167.06996	2.9
193.05048	3.6
201.11226	4.3
221.05672	4.0
222.05902	9.9
223.06059	5.5
231.12334	2.7
236.12683	3.4
241.07062	7.6
246.04935	2.8
259.08136	7.7
271.15918	2.9
277.15372	2.9
295.10196	5.1
338.10635	3.4
381.11163	15.4
399.16309	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	397.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	23.5
55.65870	4.8
57.07085	26.6
58.71575	4.0
67.05499	32.7
67.86421	4.4
69.07080	34.1
71.08645	21.3
71.17870	6.5
79.05491	24.7
81.07062	77.2
83.08627	19.0
85.10175	13.6
91.05486	27.8
93.07050	36.5
95.08617	69.4
96.11323	4.5
97.10169	18.3
101.48397	4.9
105.07043	41.6
107.08611	30.5
109.10161	59.7
111.11756	11.7
119.08588	43.2
121.10147	18.7
122.60669	4.1
123.11704	15.2
126.09738	4.6
126.61300	4.6
133.10144	29.4
135.11684	39.1
137.13274	7.0
147.11696	74.7
149.13293	29.0
159.11679	8.2
161.13260	57.5
163.14839	11.3
165.16319	5.4
173.13387	8.6
175.14850	25.2
189.16371	13.7
201.16524	5.9
203.17953	12.1
215.17960	11.5
217.19505	6.2
229.19539	5.0
243.21114	8.6
246.15544	4.9
257.22629	5.8
275.27240	4.7
282.36703	4.9
284.18668	4.5
287.27310	8.3
397.38318	100.0
404.63174	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	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53487	4.6
51.68754	4.1
53.03946	5.0
55.01880	5.7
55.05526	6.6
56.20674	5.2
56.96574	4.8
57.03442	26.2
60.04531	6.6
60.23837	4.3
61.02924	9.0
67.05503	10.5
69.03434	82.1
69.07081	28.1
69.70268	6.8
69.70675	20.8
70.06596	10.9
71.04992	9.0
72.08143	15.5
73.02908	18.9
79.05499	5.1
81.03407	9.7
81.07050	16.7
83.05005	6.1
84.08160	9.6
85.02914	100.0
85.06531	6.1
85.93529	4.4
86.09702	10.7
87.04468	42.7
91.03984	5.1
91.05453	6.2
93.07062	9.3
95.04951	9.2
95.08618	7.7
96.08104	6.4
97.02893	62.1
97.06499	6.0
98.97593	10.7
99.04456	7.9
105.07044	5.5
107.04890	4.6
107.08595	7.3
109.02887	6.5
109.10162	5.1
111.08046	16.1
115.03941	81.3
117.05507	5.3
120.08125	7.4
122.06075	5.7
124.07608	28.2
126.09133	8.1
127.03951	21.2
128.10715	4.7
133.04980	81.6
136.07552	5.0
138.09142	9.3
145.04996	33.9
150.07570	9.6
153.09129	5.0
154.08611	5.2
157.78363	5.0
163.06018	21.8
178.71976	4.8
201.11363	7.4
277.15399	7.9
303.05093	5.5
377.01669	7.1
381.11432	10.4
398.14011	5.5
399.16061	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88501	4.1
55.01838	3.9
55.05512	17.5
57.07078	18.3
61.49238	4.0
66.49327	3.9
67.05520	26.7
69.07076	33.4
71.08633	17.9
71.57887	9.0
79.05495	18.0
81.07068	62.4
83.08640	14.4
85.10207	10.5
91.05477	20.7
93.07048	34.1
95.08617	53.9
97.10180	14.1
105.07036	34.0
107.08627	23.3
109.10177	42.5
111.11702	7.6
119.08578	31.0
121.10152	20.2
123.11716	19.3
133.10165	27.1
135.11700	41.6
145.10130	6.7
147.11684	61.5
149.13255	21.6
159.11652	8.6
161.13251	38.5
175.14874	16.4
177.16351	5.2
187.14807	5.3
189.16432	10.4
201.16342	7.5
203.17970	12.8
215.18039	15.1
217.19543	4.9
243.21106	9.6
257.22852	7.1
261.25800	8.0
397.38345	100.0
415.80951	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	397.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01868	0.9
55.05513	0.7
56.96552	0.8
57.73374	0.7
61.46386	0.5
65.03929	2.5
67.05520	1.4
69.03424	1.0
69.07051	1.8
71.04950	0.7
71.58304	0.5
77.03941	1.2
79.05495	4.7
81.03395	1.0
81.07040	2.7
83.04985	0.9
85.02902	0.8
89.03924	0.7
91.05479	3.9
93.03416	1.5
93.07037	1.7
93.54198	0.6
94.04185	0.7
95.01284	0.8
95.04958	1.0
95.08610	1.4
97.06577	0.7
98.97580	1.9
103.05446	1.1
105.03382	1.3
105.07015	2.2
106.04167	0.9
107.04955	4.6
107.08606	0.7
108.05740	1.7
109.02882	0.9
109.06497	2.1
109.10157	0.6
111.04397	0.9
115.05482	1.4
117.06992	1.5
118.04180	0.6
119.04910	0.8
119.08613	0.6
121.02872	1.3
121.06510	3.8
123.04443	1.8
124.05238	1.8
125.06004	0.8
129.06914	0.6
131.01326	0.6
131.04941	1.3
131.08562	1.0
133.02856	5.4
133.06477	1.9
135.04416	10.3
135.08049	0.6
136.05186	2.4
136.34920	0.5
137.05933	1.7
139.07552	5.5
143.08560	0.7
145.06491	2.6
147.04404	2.6
147.11679	0.7
148.05183	2.4
149.01157	1.0
149.02338	15.1
149.05998	4.1
151.03894	2.2
151.04991	0.6
151.07542	16.8
153.05437	2.1
155.07074	1.2
155.08505	0.7
157.06477	1.0
158.07188	0.9
159.04430	19.9
159.08038	2.2
160.05229	1.2
161.02338	1.2
161.05971	4.5
162.03128	1.7
162.06760	1.9
163.03920	18.3
164.04649	2.0
165.05484	2.8
165.06822	1.1
165.09085	0.7
167.03412	9.3
167.07031	5.7
171.08060	0.8
173.06006	2.5
175.03938	1.9
175.07507	0.7
176.04752	0.8
177.05479	16.4
178.06241	2.4
179.03442	2.1
179.07031	33.4
181.04974	1.8
185.05957	2.0
187.03934	6.9
187.07527	1.8
189.09248	0.7
191.07043	9.7
191.10701	1.5
192.07808	8.4
193.04900	0.9
193.08580	2.0
197.04350	0.6
198.06837	0.7
201.05432	4.0
202.07706	0.9
203.07083	4.0
205.05023	5.4
205.08563	4.6
211.07567	2.4
213.09128	1.4
215.08780	0.7
215.10670	17.9
216.11215	0.7
219.06511	1.7
228.04074	1.0
229.08589	2.3
232.09003	0.7
234.06694	0.6
239.07082	1.0
243.06516	1.9
243.10135	4.4
245.09781	0.9
247.07550	0.9
248.08252	1.1
249.05466	0.8
251.07011	3.4
257.07837	0.7
261.05524	1.1
265.04977	0.6
265.08527	1.1
269.08087	0.9
271.05930	0.8
273.09106	5.0
275.07120	3.2
276.07764	6.8
277.04996	1.8
277.08386	1.4
281.08029	0.8
283.06030	1.3
287.06992	0.9
289.05197	0.6
289.08563	0.8
291.10123	10.5
293.04709	1.1
293.08112	2.8
295.09540	0.9
301.08548	3.3
303.06528	3.7
303.09802	0.9
304.07260	2.2
305.04608	1.4
305.08041	1.2
307.09735	1.0
309.07590	1.1
309.44748	0.6
310.08218	0.6
313.07410	0.7
313.10699	3.7
318.08853	2.2
319.06058	0.8
319.09622	11.7
321.07587	1.6
323.09073	1.0
323.12698	1.0
326.08066	3.2
329.07925	2.9
331.05960	1.4
332.06750	10.6
333.07404	1.4
333.11224	2.2
341.10193	18.0
342.10205	0.7
346.08374	1.1
347.09137	34.0
348.09540	2.0
349.07010	1.8
351.08734	0.6
351.12302	5.0
361.10797	1.4
364.09442	2.6
367.11768	2.0
369.13086	3.0
369.17154	1.1
379.11697	5.9
382.10562	0.7
397.12753	100.0
397.16736	17.5
397.25055	1.7
398.12698	3.4
398.17441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.05503	0.7
56.96540	0.6
59.25310	0.4
62.66026	0.6
65.03938	1.3
67.05494	1.1
69.07049	0.7
79.05493	2.9
81.07024	1.4
85.02865	0.7
91.05482	2.5
93.03379	1.1
93.07016	1.2
95.04961	1.2
95.08588	1.1
98.21520	1.1
98.97570	1.3
103.05441	1.0
105.03356	1.0
105.07011	1.4
107.04941	3.2
108.05724	0.6
109.06483	0.9
115.05460	1.2
117.07011	0.7
119.04912	1.4
121.02876	0.6
121.06531	3.4
123.04420	1.3
124.05176	1.4
126.22912	0.5
129.06967	1.2
131.04890	1.1
131.08517	1.0
131.36157	0.5
133.02856	4.3
133.06499	0.6
134.03595	0.5
135.04427	6.0
135.85555	0.5
136.05167	1.4
137.05949	1.0
139.07545	4.3
141.06982	0.6
145.06467	1.0
145.10170	0.5
147.04350	2.2
148.05154	1.7
149.02338	8.4
149.05969	3.2
151.03885	1.6
151.06451	0.6
151.07553	10.2
153.05421	1.8
153.06848	0.5
155.07022	0.5
155.08554	0.6
157.06465	0.6
159.03226	0.8
159.04427	11.0
159.07985	1.4
160.05162	1.2
161.02318	1.4
161.06027	2.7
162.03102	1.1
162.06781	0.5
163.03908	12.1
164.04630	1.2
165.05411	1.5
165.09041	1.1
167.03400	5.9
167.07051	3.3
167.08345	0.6
173.05960	1.5
175.03876	1.1
175.07491	1.2
177.05479	10.2
178.06187	1.5
179.03387	1.9
179.07043	25.6
179.72200	0.5
181.04854	1.3
183.07991	1.1
185.05893	1.6
187.03917	6.1
187.07474	1.8
189.01888	0.6
190.02496	0.6
191.07033	5.3
191.10678	1.4
192.07814	6.2
193.04839	0.6
193.08531	2.1
201.05467	4.0
202.07716	1.0
203.03314	0.6
203.06976	3.8
205.04945	5.0
205.08638	4.1
211.07428	1.3
212.04407	0.6
213.09117	1.3
215.10678	12.4
219.06490	2.2
225.05348	0.6
227.07059	0.7
229.08456	2.0
235.07527	1.0
239.07043	0.7
243.06509	1.0
243.10199	3.8
245.09581	1.4
247.07480	0.7
248.08167	1.5
249.08884	0.7
251.06972	1.8
257.08051	0.7
263.10590	1.0
265.05005	0.7
265.08499	0.9
267.10074	0.7
273.09198	3.6
275.06931	2.1
276.07819	4.3
277.04916	1.3
277.08322	0.8
279.10071	0.5
280.10986	0.7
281.08026	0.6
283.06012	0.9
291.10168	10.2
293.04913	0.7
293.08026	2.5
295.09326	0.7
301.08585	3.7
303.06479	3.2
304.07166	1.8
305.07977	1.2
305.11493	0.8
313.10434	1.7
318.08643	1.4
319.06204	0.7
319.09671	9.5
321.04025	0.7
321.07489	2.0
323.08911	1.2
323.12546	0.8
326.07715	1.6
327.08734	0.8
329.08087	3.2
331.06012	1.4
332.06750	9.7
333.07092	1.7
333.11154	2.3
341.10254	11.8
347.09171	32.2
348.09506	1.6
349.06830	1.6
351.08517	0.8
351.12292	4.6
361.10608	1.7
364.09302	2.9
367.11542	1.0
369.13437	2.4
379.08105	0.5
379.11746	5.5
382.10440	0.8
397.12579	100.0
397.16306	9.6
397.24744	2.5
398.12866	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	397.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01866	0.9
55.05511	0.8
56.96569	0.8
65.03936	1.4
67.05485	1.1
69.07051	1.9
70.94989	1.4
79.05499	3.7
81.03423	0.7
81.07051	2.4
85.06432	0.5
91.05498	2.7
93.03411	1.6
93.07022	1.3
94.04144	0.8
95.04948	1.2
95.08610	1.2
97.06490	0.8
98.97581	1.6
103.05436	1.0
105.03380	1.4
105.07014	2.0
106.04189	0.7
107.04955	3.2
108.05748	0.9
109.06489	1.0
115.05495	1.0
116.98528	0.6
117.06979	1.0
119.04952	1.3
119.08553	0.7
121.02878	1.2
121.06518	3.9
123.04421	1.6
123.08002	0.7
124.05193	2.0
125.05976	0.8
128.06158	0.6
129.06995	1.3
131.04910	0.7
131.08565	1.6
133.02849	5.0
133.06491	1.6
133.10121	0.6
135.04414	8.8
136.05196	1.9
137.05981	1.0
139.07549	5.1
144.05673	0.6
145.06493	0.8
147.04425	1.9
148.05170	2.5
149.02341	9.9
149.05981	3.6
151.03847	1.3
151.07558	12.1
153.05481	2.0
154.07747	0.7
157.06483	0.6
159.04422	15.2
159.08041	1.4
160.05232	0.8
161.02361	1.3
161.05930	4.0
162.03140	2.1
162.06757	1.6
163.03928	14.0
164.04671	1.3
165.05473	1.6
165.06888	0.5
165.09111	1.0
167.03419	8.0
167.07068	4.7
169.68660	0.6
171.08107	0.7
173.05998	2.3
174.06750	0.7
175.03920	1.3
177.05470	13.6
178.06213	2.3
179.03441	1.6
179.07051	25.4
181.05011	1.1
181.06471	0.8
183.08018	1.0
185.05977	1.7
187.03944	5.6
187.07492	1.8
189.01855	1.2
191.07059	7.0
191.10638	1.4
192.07828	6.0
193.04950	1.3
193.08604	1.6
199.07599	1.3
201.05446	3.2
202.07678	0.7
203.07043	3.7
205.04971	5.4
205.06572	0.7
205.06888	0.7
205.08574	4.8
211.03967	0.7
211.07516	1.7
213.05589	0.7
213.09094	1.8
215.07259	0.7
215.10693	15.1
219.06482	2.2
228.04080	0.8
229.08607	2.4
237.05470	0.6
239.06941	0.9
243.06439	1.2
243.10185	5.0
245.09633	1.5
246.72441	0.6
248.08296	1.0
249.05515	1.2
249.08978	0.6
251.07054	2.2
263.10556	0.6
265.04935	0.9
266.09222	0.7
271.05771	1.0
272.08066	0.7
273.09097	4.8
275.07031	1.9
276.07898	5.7
277.04922	1.2
277.08429	1.0
281.08035	0.7
283.06128	0.8
289.08673	0.7
291.10156	9.4
293.08118	2.7
301.08633	3.6
303.06570	3.2
304.07339	1.4
305.04617	0.6
305.08093	1.3
307.09567	0.8
313.10712	2.3
318.08829	1.3
319.06125	1.0
319.09625	8.8
321.07440	1.6
323.09378	0.9
326.07828	2.3
329.07962	2.7
331.05991	1.4
332.06784	8.7
333.07672	0.9
333.11203	2.1
336.09982	0.9
341.06308	1.0
341.10236	15.4
342.10550	0.7
346.08170	1.7
347.09161	33.1
348.09653	1.6
349.06873	1.7
349.10800	0.7
351.08701	0.9
351.12354	5.0
361.10757	2.0
364.09457	2.9
365.10153	0.8
367.11826	1.3
369.13065	2.7
369.17084	1.4
379.07983	0.6
379.11856	5.5
397.12735	100.0
397.16614	13.8
398.12891	3.9
416.61273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1645
Annotation	Rotenonic acid
Peak:m/z	Relative Intensity
53.03917	2.4
55.01834	1.1
65.03948	3.6
68.99760	1.0
69.07025	2.6
69.71965	2.1
69.72371	2.0
74.72084	0.6
77.03896	1.0
78.04704	0.6
79.05496	5.5
81.03369	1.1
81.07035	0.9
91.05470	4.8
93.03377	3.0
93.07012	1.8
94.04150	1.2
95.04925	2.7
96.05753	1.0
98.20802	1.1
103.05453	3.8
105.03364	2.0
105.06998	1.9
106.04170	1.6
107.04966	5.5
108.05738	4.0
109.02846	1.3
109.06484	2.8
119.04951	1.2
121.02840	2.6
121.06517	12.6
122.03616	1.7
123.04408	2.1
124.05222	5.6
125.06004	1.3
129.06920	1.0
131.01299	3.0
131.04936	4.3
131.08568	1.2
133.02858	9.7
133.06516	4.2
134.03650	0.9
135.03378	1.5
135.04417	28.4
135.07970	1.0
136.05232	8.2
137.05934	1.5
139.06511	1.2
139.07549	16.7
140.04701	1.0
145.06441	2.5
147.04422	4.8
148.05188	7.5
149.02348	49.0
149.05978	11.9
150.06708	1.5
151.03847	2.0
151.07550	53.6
155.07048	3.9
158.20537	0.8
159.04420	55.1
159.08032	2.5
160.05098	2.4
161.02333	3.1
161.05968	7.2
162.03088	2.2
162.06766	4.8
163.03914	52.7
164.04710	7.1
165.05417	2.1
165.06734	0.9
165.09178	3.7
167.03412	24.9
167.07043	13.8
173.05940	1.4
175.03912	4.6
175.07559	1.0
176.04732	2.4
177.05475	31.7
178.06235	3.9
179.07040	100.0
180.07426	1.6
181.04953	2.9
187.03925	7.2
187.07603	1.1
189.01830	2.7
191.07037	26.1
191.10612	5.4
192.03851	0.7
192.05977	1.0
192.07800	22.0
193.08604	6.5
195.06531	5.4
203.07033	11.0
205.08607	11.6
215.10692	50.5
216.11086	1.8
220.07253	0.8
221.04440	1.4
227.06982	1.1
231.10182	0.8
239.05582	2.5
241.08636	0.9
243.10172	12.2
243.12512	1.1
266.05627	1.2
269.08282	2.0
279.06540	1.0
281.08115	2.5
313.10754	8.7
323.09238	3.4
326.07837	11.7
326.11237	1.1
329.10434	1.0
341.10211	68.4
342.10590	2.0
365.10281	4.8
369.16852	3.6
397.16620	58.6
398.17001	2.1
416.05545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1635
Annotation	Rotenonic acid
Peak:m/z	Relative Intensity
55.01865	1.8
57.03422	1.6
57.56897	1.5
65.03930	4.4
67.05494	2.4
68.99760	2.0
69.03349	1.6
69.07059	2.9
70.23230	1.6
71.25410	2.5
77.03928	2.2
79.05495	9.3
81.03406	2.3
81.07034	6.4
91.05493	13.6
92.05798	1.7
93.07011	2.9
94.04187	1.6
95.01318	3.3
95.04964	3.5
95.08614	2.5
105.03385	7.1
105.07006	4.8
107.04952	19.7
107.08556	3.4
108.05769	1.7
109.02874	1.9
109.06501	7.4
115.58189	1.7
117.07006	1.8
119.04917	6.9
119.08549	4.8
121.02854	1.9
121.06474	7.2
123.45180	1.5
124.05244	1.7
125.05975	6.7
129.06935	2.6
131.04973	2.5
133.01958	2.3
133.02859	26.9
134.03429	1.7
135.04420	21.8
136.05176	2.1
137.05927	4.7
139.03917	2.2
139.07515	6.3
143.08543	2.3
145.06508	2.4
147.04358	5.9
147.08052	9.5
148.05157	2.3
149.02332	6.1
149.05963	6.0
151.03947	2.5
151.07553	16.3
153.05463	10.5
153.06549	1.6
155.08530	1.8
157.10170	1.8
159.04425	4.1
160.05150	2.2
161.02362	21.2
161.05931	6.5
163.02788	1.5
163.03915	17.8
165.05495	14.3
167.03357	3.8
167.07072	15.6
171.04228	2.1
171.08022	2.7
173.02153	2.7
173.05914	2.5
175.03856	4.5
175.07578	4.4
177.05489	15.5
178.06189	6.1
179.07072	25.3
179.08546	3.6
181.04956	2.1
183.07890	1.9
185.05952	5.8
187.03998	2.2
189.00208	2.5
189.01831	29.0
189.09105	25.8
191.03157	47.1
191.06993	8.8
193.04941	7.0
195.06572	11.3
195.08044	3.2
199.07494	3.0
201.09018	4.1
203.03345	3.4
203.07037	100.0
204.07410	5.4
211.07533	6.3
213.09050	2.5
215.10681	2.8
219.06557	3.6
221.04297	5.4
223.07629	2.6
225.09077	3.6
227.07066	2.3
229.08557	5.6
239.05458	18.0
241.08582	4.7
243.10278	3.2
251.06967	2.8
253.08401	2.2
257.07700	2.3
268.78802	1.5
269.08057	6.9
275.06998	2.1
277.08868	1.8
283.05984	2.2
283.09445	2.5
295.09598	1.9
305.07837	3.1
309.11115	3.0
317.08005	3.1
319.09625	3.1
321.07364	2.7
321.11185	1.9
323.09125	3.6
333.11081	6.4
335.09076	3.3
336.05240	1.6
336.09442	2.3
337.10513	2.7
347.09204	2.2
347.12952	2.3
349.10663	3.1
351.08298	2.5
351.12103	2.8
351.15887	3.8
353.14020	1.7
365.10199	45.5
367.15280	4.6
369.13528	7.8
379.11514	7.7
379.15320	35.0
397.12659	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12025	0.6
55.05502	0.7
55.70007	0.4
56.96559	1.9
58.35725	0.5
65.03929	0.5
67.05496	0.7
70.99982	1.4
77.11757	0.5
79.05490	1.6
81.07056	1.5
91.05482	1.3
93.07029	0.5
95.04935	0.5
96.89835	0.5
105.07025	0.6
107.04951	0.6
107.08600	0.7
109.02859	0.7
109.06555	0.9
109.10175	0.6
111.04409	0.6
119.08598	0.9
121.06546	0.5
121.10094	0.6
133.02847	1.1
133.16647	0.4
135.04465	1.3
137.02367	0.9
137.04953	0.5
137.05998	1.8
147.04385	0.7
149.02415	0.5
149.06012	0.9
151.03912	1.1
152.44296	0.5
153.05548	0.5
159.11769	0.5
161.02336	0.8
161.05942	0.7
165.05472	1.8
167.07031	0.5
173.06042	0.5
175.03963	0.6
176.12929	0.7
177.05478	1.4
179.03529	0.9
185.06009	0.7
187.03940	0.6
193.04990	1.0
195.08130	0.7
203.07051	4.3
219.91263	0.5
221.04498	1.2
225.09074	0.7
229.08556	0.9
237.05641	0.7
243.09998	0.5
251.07135	0.8
253.08850	0.5
257.08090	0.6
283.05933	1.2
291.10263	0.5
300.06238	0.6
303.10086	0.6
307.09415	2.5
313.10815	0.5
319.09708	2.1
321.11304	2.2
323.08936	0.6
337.10953	0.9
347.08868	1.3
347.12958	0.6
351.12262	1.2
353.13910	0.6
361.14288	2.2
365.10178	0.8
369.13177	1.0
373.02176	0.9
379.15231	100.0
380.15439	3.6
380.63733	0.6
391.03491	0.6
397.12442	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	397.1636
Annotation	Rotenonic acid
Peak:m/z	Relative Intensity
53.03942	1.5
55.01872	1.8
55.05505	2.2
56.50576	1.1
57.07091	1.1
65.03936	2.0
67.05489	1.9
69.07072	2.5
71.57866	1.6
75.59759	1.2
79.05499	11.3
81.07066	7.1
85.02871	1.7
91.05484	14.3
92.05766	2.1
93.07030	3.3
95.01308	2.1
95.04948	2.9
95.08585	1.6
97.06529	2.9
103.05488	1.3
105.03398	5.2
105.07034	4.1
107.04960	18.6
107.08574	1.5
108.05733	1.8
109.02897	2.1
109.06522	6.7
111.04442	1.5
113.02353	5.1
115.05431	1.4
117.07016	2.3
119.04922	6.9
119.08582	3.9
121.02859	2.4
121.06536	6.3
123.00863	1.9
123.04443	1.2
124.05251	1.4
125.05997	4.2
128.06172	1.7
129.06998	4.2
131.04964	1.8
133.02856	28.0
133.10147	1.4
135.04419	17.3
136.05257	3.2
137.02309	1.7
137.05959	5.1
138.06258	1.2
139.07523	7.3
141.06996	1.4
143.08476	1.7
145.06508	2.4
147.04395	6.2
147.08022	9.5
148.05212	3.3
149.02324	3.8
149.05995	6.4
151.03908	4.4
151.07553	17.4
153.05496	9.5
155.08481	1.4
159.04437	3.3
159.08006	1.5
161.02370	20.8
161.05957	6.7
163.03937	20.0
163.07487	1.6
164.04440	1.2
165.05531	14.2
167.07065	15.6
169.06335	1.4
170.07124	1.2
171.08128	2.2
173.02118	1.9
173.05960	2.7
173.09688	1.3
175.03920	3.8
175.07535	2.7
177.05466	12.5
178.06223	4.5
179.07060	22.0
179.08545	2.9
183.08047	1.7
185.05969	5.6
187.03987	1.7
187.07494	1.4
189.01852	29.5
189.09172	19.6
191.03172	34.1
191.06949	6.9
193.04979	6.9
193.08617	1.7
194.05400	1.7
195.06525	10.9
195.08069	2.1
198.06703	1.4
199.07513	1.5
201.05417	2.3
201.09154	3.5
203.03760	2.4
203.07039	100.0
204.07434	3.0
210.06775	1.9
211.07483	7.9
213.09076	5.1
214.06366	1.3
215.10654	2.8
219.06526	2.9
220.03065	1.3
221.04523	7.8
221.07909	1.8
223.07465	1.7
225.09131	3.3
227.06940	1.5
229.08591	3.5
235.07542	1.4
236.55472	1.2
239.05457	20.3
241.08546	4.6
243.10078	4.1
251.07004	2.4
253.08537	1.3
257.08047	3.5
261.09085	1.4
269.08124	7.5
277.08481	2.0
279.06494	1.1
283.09500	1.7
291.10248	2.3
293.08215	1.3
293.11652	1.5
295.09592	1.7
301.08771	1.7
303.10040	1.7
305.08017	2.2
305.11340	1.6
309.11124	1.5
314.09421	1.4
318.09103	1.5
319.09518	1.4
321.11130	2.0
323.09094	2.2
333.11102	4.6
335.09027	5.4
337.10507	4.5
341.10056	2.2
347.09033	1.5
348.13510	3.0
349.06842	2.2
349.10510	2.2
351.15918	1.7
353.13715	3.4
361.14294	2.8
363.12085	1.4
365.10202	52.7
366.10233	1.6
367.15503	3.1
369.13257	7.0
379.11560	6.5
379.15622	29.3
380.16220	1.7
397.12692	61.8
398.13257	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	397.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01870	0.9
57.03411	0.9
65.03938	1.5
67.05498	1.3
68.99786	1.6
69.07060	1.5
69.70875	3.9
77.03901	2.4
79.05479	3.7
81.03401	2.3
81.07026	1.4
85.02916	1.9
91.05479	5.5
93.03351	1.1
93.07040	2.0
94.04196	1.4
95.04955	2.8
96.22472	0.9
97.06546	1.4
98.20769	0.9
103.05458	1.9
105.03407	8.6
105.07039	1.8
106.04163	2.2
107.04942	2.6
109.06537	5.1
113.02351	3.7
119.04954	1.6
121.02843	2.2
121.06497	11.0
122.03624	1.9
129.07051	0.9
133.02861	44.5
134.03598	2.3
135.04420	6.6
136.05167	2.0
137.02315	2.7
137.05966	9.9
139.07579	4.2
145.02818	1.6
147.04411	2.2
147.08032	2.1
148.05174	2.7
149.02350	12.0
149.05997	12.7
150.03082	2.2
151.03955	1.8
151.07559	11.8
155.07085	1.2
159.04425	11.9
160.01550	2.5
161.02370	7.7
161.05992	3.0
162.06709	2.0
163.03897	13.3
164.04675	2.4
165.05481	34.4
165.09145	1.1
167.03426	5.3
167.07054	3.1
175.03935	3.1
177.05482	28.6
178.02705	1.6
179.07059	21.7
185.06012	1.1
187.03888	2.5
188.01155	1.4
189.01831	3.4
191.07037	5.6
192.07834	5.9
193.04973	22.1
193.08595	1.3
195.06583	1.8
203.03394	11.0
203.07047	26.6
203.08965	1.4
205.08597	3.6
215.10670	14.6
221.04453	31.3
239.05518	100.0
240.05779	1.5
241.08606	1.6
243.10141	3.4
271.05945	0.9
295.09595	0.9
313.10538	2.1
326.07764	2.4
341.10242	15.5
369.15189	2.2
379.11642	4.6
397.11896	11.2
397.16516	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	397.1287
Annotation	Laurenquinone A
Peak:m/z	Relative Intensity
51.02379	0.4
53.00297	0.3
53.03926	1.1
55.01867	0.6
55.05511	0.3
57.03428	0.8
60.46412	0.3
65.03929	0.6
67.05481	0.9
68.99778	1.0
69.83924	0.3
70.21246	1.0
77.03915	1.0
79.05064	0.5
79.05498	8.5
81.03396	1.1
81.07074	1.8
85.02905	1.0
89.03921	0.5
91.05491	5.2
91.84393	0.3
93.03416	0.5
93.07030	0.6
95.01329	2.4
95.04954	1.4
97.06497	0.8
97.95525	0.3
99.04453	0.4
105.03396	5.0
105.04488	0.4
105.07001	1.2
107.04962	17.1
107.08609	0.7
109.02870	1.1
109.06525	3.4
111.04435	1.2
113.02373	3.0
115.05425	0.6
117.03383	0.4
117.07083	0.4
119.04957	3.4
119.08588	4.3
120.02000	0.3
121.02836	1.2
121.05743	0.4
121.06519	4.1
122.03655	0.4
123.00795	1.2
123.41115	0.3
125.06020	0.5
128.06201	0.8
129.07025	2.9
131.04881	0.4
131.08543	0.6
133.02861	20.5
133.06487	0.8
134.03564	0.4
135.04427	17.7
137.02336	0.7
137.05975	1.9
137.12871	0.3
138.21188	0.4
139.07510	2.5
141.07062	0.3
144.05711	0.9
145.02882	0.7
145.06482	0.6
145.10086	0.4
147.04391	1.1
147.08080	3.6
149.02345	3.8
149.06013	4.9
150.03072	0.3
151.03935	1.4
151.07547	1.3
153.05434	1.4
153.06740	0.3
155.04984	0.3
157.06480	1.3
159.04446	0.4
159.08046	0.5
160.01520	0.5
160.05161	0.9
161.02357	23.2
161.05963	4.4
163.03917	14.4
165.05499	6.2
167.03430	1.9
167.07063	4.4
171.08032	0.3
175.03952	2.2
175.07564	2.3
177.05476	7.5
177.09070	0.4
179.03416	0.8
179.07095	0.6
182.07324	0.6
183.00439	0.3
183.08078	0.5
185.05977	5.9
187.03860	1.7
187.07544	0.4
188.01024	0.3
188.04669	0.6
189.01837	30.2
190.02284	0.5
193.05008	4.4
195.04713	0.6
195.06535	12.3
195.08057	0.9
199.07578	1.1
201.05473	0.4
201.09085	0.5
203.03348	3.0
203.07039	100.0
204.07384	1.6
206.05754	0.3
213.09087	0.6
215.10588	0.5
221.04451	7.6
221.07890	0.5
223.07561	0.9
226.06233	0.5
227.07060	0.6
239.05487	19.6
241.08603	3.9
242.05774	0.6
243.10149	0.9
249.08983	0.5
250.09660	0.3
251.07083	0.9
257.08047	0.6
263.10742	0.5
267.06534	0.3
267.10059	0.6
269.08112	8.5
273.09131	0.6
277.08597	0.3
281.11676	0.7
287.09113	0.4
291.09875	0.7
293.11505	0.4
295.09570	1.1
309.11127	1.7
311.09192	2.2
319.09662	1.1
321.11322	0.4
323.09152	0.4
327.12137	1.8
337.10730	1.6
341.13815	0.4
347.09100	0.7
351.12350	0.4
353.13986	0.6
365.10220	46.7
366.10583	1.3
369.13345	7.9
369.17740	0.7
379.11768	2.1
397.12845	40.4
398.13272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01870	0.9
57.03411	0.9
65.03938	1.5
67.05498	1.3
68.99786	1.6
69.07060	1.5
69.70875	3.9
77.03901	2.4
79.05479	3.7
81.03401	2.3
81.07026	1.4
85.02916	1.9
91.05479	5.5
93.03351	1.1
93.07040	2.0
94.04196	1.4
95.04955	2.8
96.22472	0.9
97.06546	1.4
98.20769	0.9
103.05458	1.9
105.03407	8.6
105.07039	1.8
106.04163	2.2
107.04942	2.6
109.06537	5.1
113.02351	3.7
119.04954	1.6
121.02843	2.2
121.06497	11.0
122.03624	1.9
129.07051	0.9
133.02861	44.5
134.03598	2.3
135.04420	6.6
136.05167	2.0
137.02315	2.7
137.05966	9.9
139.07579	4.2
145.02818	1.6
147.04411	2.2
147.08032	2.1
148.05174	2.7
149.02350	12.0
149.05997	12.7
150.03082	2.2
151.03955	1.8
151.07559	11.8
155.07085	1.2
159.04425	11.9
160.01550	2.5
161.02370	7.7
161.05992	3.0
162.06709	2.0
163.03897	13.3
164.04675	2.4
165.05481	34.4
165.09145	1.1
167.03426	5.3
167.07054	3.1
175.03935	3.1
177.05482	28.6
178.02705	1.6
179.07059	21.7
185.06012	1.1
187.03888	2.5
188.01155	1.4
189.01831	3.4
191.07037	5.6
192.07834	5.9
193.04973	22.1
193.08595	1.3
195.06583	1.8
203.03394	11.0
203.07047	26.6
203.08965	1.4
205.08597	3.6
215.10670	14.6
221.04453	31.3
239.05518	100.0
240.05779	1.5
241.08606	1.6
243.10141	3.4
271.05945	0.9
295.09595	0.9
313.10538	2.1
326.07764	2.4
341.10242	15.5
369.15189	2.2
379.11642	4.6
397.11896	11.2
397.16516	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	397.1286
Annotation	Laurenquinone A
Peak:m/z	Relative Intensity
50.42021	2.5
53.03931	4.4
55.01870	5.4
55.05490	4.1
56.96556	5.4
57.03439	3.2
65.03923	4.9
65.74004	3.2
67.05490	5.3
67.91634	2.3
69.03430	2.8
69.07038	4.3
71.58125	3.4
77.03914	3.6
79.05493	13.4
81.03404	4.0
81.07060	19.0
83.08617	2.6
91.05452	12.0
93.07034	6.5
95.04948	9.2
95.08606	9.9
96.06465	2.6
97.06539	2.6
103.05464	4.6
105.03384	8.7
105.04455	2.9
105.07000	12.0
107.04963	17.6
107.08634	3.8
109.02867	5.7
109.06524	15.4
109.10201	2.9
115.05450	4.1
117.07012	8.0
119.04913	7.5
119.08572	6.5
121.02879	2.9
121.06484	9.9
121.10123	5.2
123.08017	3.4
129.07048	3.3
131.04883	7.8
131.08574	5.2
133.02878	30.5
133.06520	3.7
133.10066	3.6
135.04451	16.4
137.02312	3.7
137.05986	29.4
143.08638	3.1
144.05721	3.6
145.06511	13.1
145.10117	3.5
147.04391	8.4
147.08035	3.7
149.02376	18.0
149.05936	9.5
151.03911	5.2
151.07515	4.0
153.01768	2.8
153.05455	7.6
155.08528	5.8
157.06392	3.4
158.07227	2.7
159.04405	3.5
159.08044	4.9
160.05130	5.6
161.02309	10.6
161.06030	14.7
162.03152	3.0
163.03897	12.7
165.05502	40.6
167.03381	11.9
167.08420	2.8
169.10088	3.5
173.05936	10.6
173.09708	6.0
175.07564	7.7
176.04671	5.1
177.05478	25.7
177.09050	9.5
178.06200	10.9
179.03377	10.8
179.06976	4.8
179.08469	6.0
183.07967	4.5
185.05983	8.0
187.03914	19.8
187.07503	3.1
187.11145	3.6
189.01817	3.1
189.05499	52.4
191.03320	7.4
191.07034	4.1
193.05025	31.0
195.06479	6.4
197.09564	6.2
199.07465	3.6
200.04761	13.9
201.05492	13.9
201.09105	30.9
203.07054	52.2
205.04916	4.7
211.07587	3.8
213.05472	3.7
213.09131	3.6
215.07025	4.7
215.10625	12.6
219.06525	5.2
221.04460	42.4
225.09099	6.5
227.06911	11.7
229.08588	9.4
233.08009	9.2
235.07477	3.4
243.06458	5.7
243.10184	65.8
249.09064	3.1
251.07014	3.6
264.07599	3.0
275.07001	3.5
276.07535	3.1
283.05884	5.9
291.09946	5.2
305.07883	4.5
309.11148	3.5
319.09619	5.5
321.07413	4.1
323.09067	6.5
325.61832	2.8
329.63916	3.0
332.06528	3.7
333.07251	3.9
337.10529	10.4
347.09033	8.0
351.12100	12.5
353.13589	6.8
361.10376	3.7
365.10272	15.3
367.11652	6.0
379.07385	3.7
379.11435	41.3
397.12637	100.0
398.12915	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	397.1283
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
52.31479	2.0
52.82402	1.7
52.92948	1.9
53.03938	3.9
54.82052	1.9
55.01880	2.3
55.05502	3.7
56.96563	6.5
60.81039	2.0
65.03931	2.6
67.05507	6.3
68.99799	2.0
69.03424	3.8
69.07073	3.1
71.58222	4.0
72.93792	1.8
79.05492	9.4
81.03412	2.5
81.07065	10.5
85.02903	2.7
91.05480	9.2
93.03427	4.1
93.07035	5.7
95.04977	3.2
95.08601	5.6
97.06537	3.2
99.77857	2.0
103.05467	3.2
105.03423	2.6
105.07024	5.6
107.04977	6.9
107.08591	3.3
109.06562	3.7
109.10152	5.7
111.04466	2.7
115.05514	3.3
117.07003	3.3
119.04977	5.2
119.08591	4.9
121.06502	6.2
121.10083	2.1
123.04437	2.7
125.05961	2.2
128.06258	2.7
129.06963	3.7
131.08594	4.3
133.02846	25.5
133.10103	2.8
135.04420	7.4
135.11717	3.1
135.62894	2.1
137.06007	5.9
139.83609	2.0
141.07007	3.1
145.10066	2.7
147.04420	6.0
147.11731	3.5
149.02357	4.8
149.05971	6.8
151.03952	4.9
153.05495	11.8
155.08553	2.7
157.06465	2.1
159.04524	2.0
159.11671	2.5
161.02365	6.8
161.05978	4.6
162.03122	5.9
163.02748	2.0
163.03865	13.4
163.07576	2.3
165.05504	26.0
167.03383	5.5
167.07054	2.3
175.03934	3.3
177.05481	50.9
177.07024	2.5
178.02530	2.3
178.06250	28.7
185.06064	4.3
187.03894	4.0
187.07567	3.2
189.09123	2.4
191.07092	2.1
193.05055	11.7
195.06595	6.0
201.05371	2.4
201.09056	3.6
203.07042	53.5
203.08929	3.1
205.04990	5.3
211.07591	6.4
212.08133	2.0
213.09123	3.9
214.64644	2.0
219.06467	3.8
227.07126	2.5
229.08537	15.7
233.08112	2.4
243.10371	3.7
245.04762	5.3
249.98969	2.5
257.08145	5.3
267.06555	5.2
267.10245	2.4
271.06027	7.1
279.06808	3.2
281.08383	20.9
283.06091	4.0
285.07703	3.8
288.54678	2.4
291.10059	3.1
294.08966	4.0
295.09671	3.7
299.09439	7.6
301.07101	5.0
307.09787	2.8
309.11209	4.1
319.09637	6.2
321.07782	3.5
321.11407	5.2
323.08984	5.0
323.12662	2.6
325.14417	4.7
333.07553	2.2
335.09134	3.3
337.10678	5.2
347.09146	4.5
347.13153	3.4
351.12219	4.8
353.13861	9.5
365.10233	4.1
367.11581	4.7
369.13022	2.9
379.11737	16.2
397.12796	100.0
397.22205	7.5
398.12997	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	397.1286
Annotation	Laurenquinone A
Peak:m/z	Relative Intensity
53.03949	3.2
55.01871	7.1
56.96554	8.6
57.03444	1.9
58.26022	1.5
65.03937	2.8
67.05506	5.4
69.03448	1.6
69.07082	3.2
71.95261	2.8
78.67448	1.5
79.05490	8.9
81.03471	2.0
81.07060	10.4
83.04979	2.3
85.02864	2.0
86.11938	1.6
91.05498	10.3
93.03391	4.0
93.07051	5.3
95.04967	3.5
95.08610	4.0
97.02904	1.8
97.06549	4.4
98.97588	33.7
105.03428	2.3
105.07040	5.3
106.04180	4.0
107.04953	9.2
107.08592	3.1
109.06521	5.3
109.10133	2.2
111.04430	2.1
115.05505	1.9
116.98627	24.1
117.07009	1.8
119.04903	3.5
119.08597	6.3
121.06519	9.6
121.10122	2.5
125.05968	3.5
129.06995	4.1
131.04941	2.7
131.08592	2.5
133.02852	12.2
133.06543	1.9
134.03639	1.7
134.99655	7.6
135.04428	10.5
137.05984	5.1
139.07591	2.0
141.07005	2.0
143.08492	2.1
144.10222	1.7
147.04401	3.3
147.08025	3.2
149.02386	2.8
149.06004	11.1
151.07484	2.7
153.01793	2.3
153.05487	8.3
155.08669	2.2
157.06537	3.0
159.04414	3.7
161.02324	8.5
161.06030	3.7
162.03139	4.2
163.03897	14.0
165.01826	1.8
165.05560	10.4
165.06813	3.2
167.03426	4.8
167.07076	4.3
169.06482	3.4
171.04378	2.5
173.06032	2.1
173.09659	2.2
175.07593	3.4
176.12814	3.2
177.05493	40.7
178.06284	10.8
183.04555	1.5
183.08131	1.7
185.05971	8.2
187.03981	2.6
189.05573	2.3
189.09021	1.9
193.05034	8.4
193.06519	1.8
195.06520	5.9
195.08105	2.0
201.09158	2.9
202.07906	2.0
203.07043	100.0
205.04964	4.2
211.07610	5.2
213.09108	4.7
219.06465	2.5
223.07567	2.9
225.05359	2.4
229.08562	12.5
235.07498	4.7
237.05559	3.1
243.10286	5.0
247.07645	2.2
248.08426	2.6
251.07021	5.7
263.06998	2.0
265.04898	3.1
265.08545	2.0
266.05762	5.0
267.06604	2.0
269.04565	2.3
269.08148	1.6
271.06186	3.6
273.09198	3.7
277.04712	3.4
277.08405	2.3
279.06546	5.2
283.05933	5.3
289.08481	2.2
291.06628	4.1
291.10052	6.1
292.07339	2.2
293.08057	2.2
293.11639	5.0
303.10211	2.1
305.07977	4.0
306.09015	2.6
309.11200	4.8
317.08127	2.9
319.09653	23.5
321.07800	2.2
321.11191	38.1
323.08981	2.5
325.14313	4.6
333.07697	3.1
335.09140	3.7
337.10706	3.4
341.10251	2.4
347.09256	9.5
351.12317	4.7
353.13846	7.5
358.03644	7.9
365.10019	4.7
367.11786	3.8
369.13641	2.6
376.04651	9.3
379.07382	2.6
379.11765	19.4
397.06003	47.1
397.12823	66.4
415.07016	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	397.1285
Annotation	Laurenquinone A
Peak:m/z	Relative Intensity
53.03928	1.6
55.01868	2.9
57.03435	3.9
57.73602	1.4
65.03928	4.0
66.04683	1.4
67.05501	3.7
68.99792	3.4
69.48634	6.6
69.49060	4.2
77.03925	2.7
78.82565	1.3
79.05487	10.9
81.07052	11.2
85.02896	2.8
91.05484	10.1
93.07030	4.9
94.04169	2.0
95.01348	3.3
95.04967	7.3
103.05450	2.0
105.03396	9.7
105.07022	2.6
107.04941	9.6
109.02882	2.9
109.06531	17.5
115.05445	3.2
117.06998	1.9
119.04954	5.5
119.08595	2.5
121.06548	7.2
122.03652	3.4
123.04420	6.0
129.07065	1.5
131.04947	1.9
131.08554	2.6
133.01842	1.7
133.02859	28.3
133.06488	1.6
135.04414	13.1
135.07990	1.4
137.05983	37.3
144.05635	1.5
145.06476	4.7
147.04391	9.6
147.08051	2.8
149.02315	3.4
149.05974	4.3
150.03111	7.1
151.03952	3.9
153.05452	1.8
155.08504	2.4
157.06523	1.9
159.04358	2.6
160.05275	1.6
161.02382	8.5
161.06013	6.3
163.03963	4.3
165.05487	39.2
165.06894	3.3
167.03461	2.1
173.05997	4.5
173.09546	1.6
175.03918	2.9
175.07462	2.4
177.05501	9.9
177.09047	12.6
178.06230	2.4
179.03401	3.4
179.08536	2.7
185.06004	3.5
187.03940	6.1
187.07596	4.2
189.05466	4.4
191.03387	11.3
191.07028	3.8
193.04993	30.3
195.06512	5.9
195.08110	1.9
197.09662	2.4
199.07471	2.7
200.04727	3.0
201.05432	2.7
201.09128	5.0
202.07722	1.9
203.07036	46.3
211.04002	2.1
211.07509	2.7
213.09081	2.3
215.07037	4.1
215.10684	1.7
221.04436	54.3
225.05556	1.7
225.09285	1.6
227.07077	7.2
229.08528	2.4
239.10629	2.7
243.06540	8.6
243.10196	7.2
245.09773	2.5
249.09183	2.0
251.07027	3.4
257.11737	8.6
267.06583	1.8
273.09158	1.7
276.07971	1.8
277.04785	1.6
279.06528	3.8
281.08136	2.3
289.05176	1.5
291.10172	2.1
293.04721	2.6
293.08078	5.6
294.08853	1.4
295.13354	1.6
301.08792	2.4
303.06628	2.2
304.07489	2.7
305.11682	1.8
307.06036	2.2
308.10526	2.4
318.08875	1.8
318.20673	1.6
319.09622	7.0
321.07535	5.3
321.11258	1.8
323.12811	3.3
332.06784	3.4
333.07535	2.1
333.11066	3.3
337.10718	4.2
346.08118	1.5
347.09042	9.5
349.10864	1.6
351.12283	14.0
361.10663	2.1
365.10089	3.7
367.11859	8.4
369.13196	3.4
379.08179	1.1
379.11655	41.0
397.12845	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	397.1286
Annotation	Velloquercetin 3',4'-dimethyl ether
Peak:m/z	Relative Intensity
53.03943	1.9
55.01867	2.2
55.05510	2.3
65.03944	7.4
67.05498	2.8
67.46114	1.0
68.99773	1.3
71.58374	2.0
73.79165	1.1
77.03912	1.1
79.01852	0.9
79.05494	12.7
81.03419	1.8
81.07047	3.9
83.04967	1.6
85.02908	1.8
91.05486	10.2
93.03419	6.1
93.07052	3.3
95.04979	2.8
95.08630	1.9
97.02832	1.3
97.06532	2.1
103.05490	2.5
105.03373	2.8
105.07027	2.5
107.04964	27.0
107.08635	2.2
108.02168	1.1
109.02907	1.3
109.10123	1.5
111.04454	3.9
115.05456	6.5
116.06192	1.1
117.07033	7.1
119.04956	11.7
119.08583	1.9
121.02870	4.7
121.06516	3.3
122.03739	1.0
125.05983	3.9
128.06212	1.9
129.07072	2.4
131.04909	2.6
131.08574	4.4
133.02858	47.5
133.06516	1.5
133.10135	1.9
135.04434	9.4
137.05988	10.0
141.05478	1.4
141.06979	3.7
144.05730	1.9
144.13847	1.0
145.02846	1.8
145.06502	9.1
145.10141	1.9
147.04410	11.1
147.05487	1.2
147.11690	1.2
149.02348	9.1
149.05968	3.2
151.03932	1.4
151.05048	3.8
151.07614	1.1
153.05482	22.5
153.06915	3.0
154.07739	1.6
155.04906	1.5
155.08572	3.8
157.06488	1.3
159.04410	15.2
159.08025	5.5
161.05931	1.7
161.09612	1.1
162.03139	2.0
163.03911	13.2
165.05490	66.8
167.03419	6.9
168.05716	2.4
169.06496	8.7
170.07281	3.3
171.04382	1.5
171.08054	1.8
173.06000	13.8
175.04019	1.5
177.05489	35.1
178.06259	22.5
179.07056	2.9
183.08115	4.8
187.03957	1.6
187.07571	16.5
191.07079	4.0
197.05962	1.7
198.06741	3.5
199.07516	2.3
201.05470	34.9
201.09142	3.4
205.08661	4.2
211.07545	22.0
213.09174	1.5
215.07002	14.4
219.06491	13.1
227.06984	4.2
229.08615	33.2
239.07076	1.9
257.08142	3.5
267.06714	1.2
271.05933	1.3
273.09189	1.1
283.06027	2.1
301.08688	1.1
327.08606	2.9
333.11157	1.5
347.09235	1.4
351.12292	5.2
369.13416	3.1
379.11789	11.7
396.68887	1.2
397.12866	100.0
397.26007	4.7
398.13312	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1285
Annotation	3-O-Demethylamorphigenin
Peak:m/z	Relative Intensity
53.03937	1.9
55.01869	1.6
60.04997	0.7
65.03947	5.8
67.05489	1.9
69.03428	1.5
69.29784	0.9
69.30107	8.1
73.08569	0.8
77.03916	1.6
79.05501	11.2
81.03427	1.8
81.07047	1.5
83.04987	1.9
91.05479	8.7
93.03406	6.8
93.07038	2.4
95.01298	1.4
95.04961	1.8
95.08606	1.1
97.06543	1.6
98.20704	1.3
98.97559	0.8
103.05456	1.9
105.03391	2.5
105.07041	2.3
107.04961	26.8
111.04446	4.9
115.05472	5.7
116.06257	1.1
117.07026	6.0
119.04956	11.4
119.08557	1.2
119.98088	0.8
121.02909	5.3
121.03675	0.8
121.06490	3.3
123.04466	1.0
125.06015	4.2
128.06232	2.6
129.07010	3.8
131.04947	2.4
131.08557	4.2
133.02861	47.8
133.06490	1.0
133.10117	1.0
135.04416	8.4
137.05989	9.6
141.05464	1.7
141.07008	4.3
143.08557	1.1
144.05699	2.6
145.06485	8.5
147.04414	11.8
147.11694	0.9
149.02382	9.5
149.06000	2.6
151.03925	1.1
151.04987	4.2
152.06288	1.1
153.05476	18.8
153.06976	3.7
155.04939	1.1
155.06071	1.4
155.08572	4.2
157.06525	1.4
159.04431	19.1
159.08070	5.7
160.04904	0.9
161.06023	1.6
162.03098	2.5
163.03905	10.5
165.05492	65.0
167.03412	7.5
168.05698	2.4
169.06464	7.9
170.07277	3.6
171.08037	1.7
173.06010	12.9
175.03944	2.2
175.07570	1.2
177.05481	36.4
177.09013	1.1
178.06256	24.0
179.07024	3.4
181.06554	0.9
183.04414	1.5
183.08075	5.1
184.05180	1.1
185.06039	1.3
187.03978	1.4
187.07553	16.3
191.07007	4.1
193.04950	1.1
194.07256	1.2
195.08060	1.9
198.06718	4.3
199.07484	1.5
201.05484	35.4
201.08965	3.8
202.05904	1.0
205.05043	2.0
205.08623	3.5
206.05711	1.0
211.07553	24.5
213.09044	1.2
215.07042	11.2
219.06549	15.7
219.08556	1.6
227.07063	4.1
229.08611	31.8
239.07069	2.0
257.08038	4.1
267.06683	0.9
283.06104	1.6
295.06180	0.8
299.09174	2.3
309.07440	1.0
327.08658	4.6
347.09219	2.0
351.12283	4.7
369.13330	1.8
379.11801	12.6
397.12863	100.0
397.25555	2.3
398.13110	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	397.1287
Annotation	3-O-Demethylamorphigenin
Peak:m/z	Relative Intensity
53.03938	1.5
55.01865	1.9
55.05509	0.7
65.03944	6.2
67.05507	1.5
68.99781	1.2
69.03435	1.3
71.16408	0.6
71.16749	1.1
77.03934	1.1
79.05500	11.5
81.03423	1.5
81.07061	1.7
83.04991	1.0
83.73273	0.5
85.02914	1.8
91.05489	9.8
93.03413	5.7
93.07066	1.9
95.01336	1.5
95.04979	2.1
95.08578	1.1
97.02926	0.8
97.06536	2.0
100.11289	0.7
103.05463	1.6
105.03381	3.0
105.04471	0.7
105.06995	2.5
107.04962	27.0
107.08607	1.1
108.02104	0.9
108.05137	0.5
109.02894	1.3
109.06510	0.7
109.10161	0.8
110.03651	1.1
111.04449	5.0
115.05475	5.4
116.06239	0.9
117.07029	6.4
119.04955	13.3
119.08590	1.3
121.02892	4.8
121.06493	2.3
121.10169	0.9
122.03661	0.9
123.04437	1.0
125.06013	3.5
127.03944	0.6
128.06252	1.8
128.58971	0.5
129.07018	3.4
130.07806	0.5
130.45197	0.5
131.01303	0.6
131.04950	2.1
131.08553	5.3
133.02863	40.8
133.06477	1.0
133.10196	0.6
134.03410	0.6
135.04433	7.7
135.11652	0.6
137.02333	0.6
137.05978	8.7
139.03914	0.6
141.05461	1.6
141.07059	3.7
142.07840	0.5
143.08597	1.1
144.05737	2.0
145.06500	8.1
145.10178	0.6
147.04431	13.2
147.08044	0.7
147.11723	0.6
149.02354	9.1
149.05988	2.2
151.05009	4.6
153.05482	20.8
153.06995	3.0
154.07829	1.4
155.04913	1.0
155.06047	1.0
155.08546	3.6
157.06468	1.3
159.04431	16.4
159.08055	5.2
159.11743	0.6
161.02385	0.6
161.06042	1.9
161.09619	0.5
162.03166	2.7
163.03925	11.0
165.05496	58.0
165.06946	2.1
167.03438	7.6
168.05702	2.2
169.05074	0.7
169.06493	8.1
170.07292	3.5
171.04431	0.9
171.08047	1.3
173.06000	14.0
175.03998	1.6
177.05486	33.5
177.09029	1.0
178.06265	25.2
179.07088	3.0
181.06522	0.6
183.04480	1.1
183.08086	4.9
184.05260	0.5
184.08824	0.6
185.05992	1.5
187.03934	1.8
187.07561	16.4
191.03360	0.7
191.06987	3.2
193.04977	0.9
194.07266	0.8
195.08218	1.1
197.06027	1.1
198.06796	5.1
199.07578	1.1
200.04842	0.6
201.05479	30.5
201.09058	4.4
202.07904	0.7
205.05003	2.0
205.08604	3.2
210.06876	0.5
210.14796	0.8
211.07565	20.6
213.05565	0.7
213.09151	1.4
215.07056	10.4
219.06534	15.7
227.07053	3.3
229.08609	34.1
237.07585	0.7
239.06999	2.7
247.07361	0.6
249.05214	0.6
257.08075	4.9
261.89459	0.5
267.06509	0.7
273.09201	0.6
279.06705	0.9
283.06100	1.5
291.10126	0.9
297.07590	0.8
299.09247	1.4
301.08545	1.0
303.17746	1.2
309.07660	1.1
309.11017	0.6
319.09677	1.9
323.09213	0.8
327.08768	2.7
329.08142	0.9
333.11212	1.1
335.20517	1.5
341.10291	0.8
347.09311	1.4
351.12225	4.8
369.13409	2.1
379.07980	0.4
379.11789	12.9
397.12878	100.0
397.25467	1.9
398.13074	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	397.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
53.31806	0.9
55.01864	2.9
55.05515	1.8
56.96561	2.3
65.03967	1.4
67.05497	2.2
68.42052	1.0
68.99789	2.9
69.03439	1.0
69.07078	1.4
71.08737	2.3
76.33216	0.9
79.05486	5.4
81.03422	2.4
81.07082	7.1
91.05498	7.0
93.03452	1.3
93.07051	4.4
95.04976	2.4
95.08604	2.6
98.97578	3.8
102.30380	1.0
103.05453	5.6
105.07016	3.9
106.04181	1.7
107.04980	6.3
107.08587	1.6
109.02914	1.2
109.06525	3.6
115.05446	1.7
116.06307	1.2
116.98647	1.5
117.07005	3.4
119.04898	1.4
119.08606	3.0
121.06520	18.1
127.03931	4.1
129.07051	2.2
131.04927	5.4
131.08565	1.1
133.02849	3.2
133.06454	1.3
135.04410	4.5
141.06996	1.4
144.05707	1.9
145.06512	9.6
145.10141	1.9
147.04391	2.7
147.07999	2.3
149.02345	10.3
149.06003	15.2
151.03897	2.5
153.05580	1.7
153.06847	1.1
154.07822	1.8
155.03363	5.9
155.08578	2.2
157.06427	1.4
158.07306	1.6
159.04465	1.5
159.08145	1.4
160.05199	3.5
161.02403	5.4
161.05977	7.6
162.03127	3.5
163.03865	9.1
167.03436	7.1
169.10182	1.4
173.05983	9.6
173.09595	2.4
174.06932	1.1
175.03914	2.1
176.04718	2.0
177.05478	100.0
178.06015	1.7
179.08574	2.1
182.07272	3.9
183.08043	1.4
185.05997	4.2
187.03894	8.3
187.07503	1.6
187.11255	2.0
189.05473	28.1
193.04996	3.6
197.09673	3.2
200.04686	11.1
201.05519	8.3
201.09132	12.8
203.07040	64.8
205.05016	1.9
210.06749	2.0
211.81535	1.0
213.09270	1.1
215.07042	1.6
215.10677	8.8
225.09097	4.8
227.06949	2.2
228.07892	1.8
233.08125	2.7
243.10202	49.7
257.08231	1.1
267.01910	1.9
283.05994	1.1
289.29739	1.2
316.04797	1.3
347.09189	1.5
353.21075	1.1
355.06848	2.1
365.10095	3.6
369.13397	2.0
377.10574	1.0
377.97360	1.2
379.11942	1.8
397.04837	4.1
397.12949	11.3
397.19937	2.0
398.24002	1.4
415.06686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1285
Annotation	Velloquercetin 3,3'-dimethyl ether
Peak:m/z	Relative Intensity
53.03940	0.5
57.03421	0.5
58.50115	0.7
63.78206	0.5
65.03920	1.4
67.05495	0.9
69.07057	1.0
71.09194	1.1
74.12782	0.6
79.05482	2.7
81.07037	1.5
85.02903	0.8
91.05467	1.8
93.03372	0.7
93.07053	1.5
95.04967	1.6
95.08599	1.0
97.06592	0.7
98.97572	0.8
103.05473	0.8
105.03374	1.7
105.07039	0.7
107.04944	2.5
107.08607	0.7
109.02870	0.6
109.17873	0.5
111.50037	0.6
115.05444	0.7
117.06977	0.8
118.29848	0.6
119.04918	1.2
121.02873	0.9
121.06522	1.6
121.10159	0.6
123.04417	0.8
124.05201	1.1
126.24248	0.6
129.07004	1.0
131.04987	0.8
133.02847	2.8
135.04425	3.7
136.05164	0.8
137.05978	1.2
139.03839	0.7
139.07523	2.8
141.06973	0.8
145.06387	1.0
147.04408	1.5
147.08083	0.6
148.05194	0.9
149.02354	7.5
149.05986	2.4
151.03966	0.8
151.07547	7.7
153.05457	1.9
155.08601	0.8
159.04416	7.8
159.08044	1.0
160.05229	0.8
161.02319	1.5
161.05966	2.5
162.03088	1.7
163.03905	8.0
165.05469	1.6
165.06784	0.7
165.09059	0.7
167.03426	3.9
167.06987	2.6
173.02399	0.6
173.05981	1.4
175.03955	1.0
176.04553	0.6
177.05482	9.1
178.06223	1.6
179.03395	1.8
179.07027	13.9
183.08151	0.8
185.06023	1.7
187.03911	4.7
187.07489	1.0
191.06976	3.2
191.10680	1.0
192.07799	4.9
193.04945	0.9
193.08559	0.8
201.05502	1.8
202.07751	1.2
203.03444	0.8
203.06981	3.2
205.04921	4.3
205.08601	2.1
211.07538	1.1
213.09128	2.2
215.10675	9.2
217.71790	0.6
219.06470	1.6
229.08586	1.9
243.06461	1.4
243.10179	1.9
245.09581	1.0
248.08319	1.5
249.05356	0.8
251.07095	1.7
261.05493	0.9
263.10788	0.6
264.15155	0.5
266.09372	1.0
273.09238	3.5
275.07022	0.9
276.07837	4.2
277.04843	0.8
279.06558	0.7
283.05942	1.4
287.06989	0.8
290.05869	0.7
291.10144	9.8
293.07886	2.9
301.08539	3.1
303.06552	2.8
304.07092	1.8
305.04550	0.6
305.07919	1.1
305.11462	0.9
307.09732	0.9
308.06879	0.7
309.07462	0.8
313.10599	1.0
318.08716	1.5
319.06128	1.0
319.09647	10.0
321.07486	1.5
323.12625	1.0
326.07867	1.3
329.08231	2.8
330.53601	0.6
331.05988	1.1
332.06824	9.3
333.07544	1.3
333.11218	2.4
335.09119	0.6
337.10452	0.7
341.10297	6.6
346.08356	1.1
347.09174	27.9
348.09705	1.6
349.06863	1.3
351.08337	1.2
351.12238	4.5
361.10590	0.6
364.09491	2.9
365.09894	0.9
367.11710	1.9
369.13190	2.5
369.17245	0.7
379.11771	5.5
397.12683	100.0
398.12991	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	397.1285
Annotation	Velloquercetin 3',4'-dimethyl ether
Peak:m/z	Relative Intensity
53.03943	1.1
55.01859	1.0
55.05512	0.5
56.96582	0.4
57.07089	0.3
58.17083	0.3
58.92524	0.3
65.03943	5.3
67.05519	1.9
68.99784	0.5
69.03419	0.5
69.98074	0.4
71.02105	0.8
71.04995	0.4
74.80233	0.4
77.03933	1.3
79.05498	7.6
81.03401	1.1
81.07058	0.9
82.04185	0.5
83.04971	0.9
85.02904	1.0
85.06579	0.4
89.79337	0.4
91.05482	6.9
91.23337	0.3
93.03414	5.7
93.07031	1.1
94.04149	0.5
95.01329	1.0
95.04967	1.8
95.08606	0.9
97.06523	0.9
97.70705	0.4
98.54836	0.4
98.97606	0.6
103.05473	1.8
105.03396	2.8
105.04478	0.4
105.07054	1.2
107.04961	19.6
108.02106	1.0
109.02856	1.0
109.06522	0.8
110.03649	1.0
111.04430	3.9
115.05463	4.3
116.06228	0.6
117.07017	4.3
119.04947	10.5
119.08526	0.4
121.02876	3.8
121.06500	2.0
122.03649	0.9
123.04405	0.8
125.06011	3.0
127.05399	0.6
128.06235	1.1
129.07039	2.2
131.01309	0.5
131.04948	1.2
131.08562	3.8
133.02859	24.8
133.06526	0.5
133.10114	0.6
135.04416	6.5
137.05995	5.2
141.05470	1.7
141.06990	3.1
142.07732	0.5
143.08568	0.5
144.05743	1.0
145.02873	0.5
145.06483	6.5
145.10071	0.5
147.04425	10.5
147.08052	0.6
149.02357	6.6
149.05978	1.5
151.03922	0.7
151.05005	4.1
152.06184	0.8
153.05484	16.3
153.06946	1.9
154.07736	1.0
155.04965	1.1
155.06107	0.9
155.08559	3.5
157.06509	0.8
158.07254	0.5
159.04430	14.7
159.08057	4.0
160.05028	0.4
161.02359	0.5
161.06076	1.7
162.03128	2.2
163.03918	8.9
163.07457	0.4
165.05496	26.8
165.07004	1.5
167.03416	6.6
168.05714	2.2
169.06487	5.7
170.07280	2.8
171.04416	1.0
171.08049	0.9
173.06004	8.2
175.03932	1.2
175.11255	0.4
177.05476	29.0
178.06258	23.1
179.07042	3.1
181.06500	0.6
182.07332	1.0
183.04488	0.7
183.08047	4.4
185.06036	0.8
187.03932	1.1
187.07552	15.3
191.03427	0.8
191.07083	1.8
193.05025	0.5
194.07236	0.6
195.08092	0.9
197.05927	0.7
198.06781	3.4
199.07559	1.9
201.05476	16.4
201.09084	2.9
205.04971	1.0
205.08583	4.7
206.05774	0.5
210.06694	0.5
211.07547	16.9
212.08173	0.5
213.05534	0.5
213.09145	1.6
215.07014	3.6
219.06535	8.5
227.07030	3.3
229.08603	30.4
230.09090	0.8
239.06975	2.2
257.08087	4.3
264.14954	0.9
267.06555	0.5
271.05869	0.4
291.10031	0.5
299.09146	1.5
301.08752	0.4
309.07687	0.6
319.09830	0.5
327.08664	1.4
333.11337	1.0
351.12289	3.9
361.10712	0.6
365.10455	0.6
369.13330	2.2
379.11835	3.6
397.12851	100.0
397.25436	7.0
398.13098	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	397.1285
Annotation	Laurenquinone A
Peak:m/z	Relative Intensity
53.03946	0.7
55.01871	4.0
57.03455	0.7
65.03947	0.6
68.99805	1.5
69.80851	2.6
77.03940	1.6
79.05502	6.2
81.03425	0.7
81.07050	2.2
85.02911	1.0
87.04467	2.2
88.22882	0.5
91.05488	4.6
93.07055	0.9
94.04206	0.5
95.01350	1.9
95.04992	1.0
98.20806	0.7
99.04387	0.5
103.05495	0.5
105.03397	5.7
105.07040	1.0
106.04208	0.7
107.04963	13.6
107.08644	0.5
109.02872	1.0
109.06535	3.9
111.04409	0.9
113.02383	1.9
115.03937	6.0
117.06998	0.5
119.04968	2.8
119.08598	2.6
121.02870	1.2
121.06532	4.2
122.03705	0.5
123.00798	1.4
129.07010	2.4
131.08563	0.7
133.02861	25.8
135.00839	0.6
135.04416	11.6
137.02310	0.6
137.05978	2.9
139.07556	1.8
141.06987	0.6
145.02843	0.9
147.04436	2.1
147.08067	4.4
149.02347	3.9
149.05980	3.6
150.03117	0.8
151.03867	2.8
151.07576	0.9
153.05490	1.1
157.06569	1.3
159.04448	0.7
160.01601	0.5
160.05174	0.7
161.02359	22.8
161.03712	1.1
161.05986	6.7
162.03123	0.5
163.03903	10.1
165.05496	9.2
165.06851	1.0
167.03430	1.3
167.07072	2.2
173.06001	1.2
175.03960	2.2
175.07579	2.2
177.05466	6.2
178.06285	0.6
179.03423	4.7
179.08542	0.5
185.05977	4.9
187.03952	1.4
188.01033	0.7
189.01836	48.4
190.02232	0.8
193.04979	5.6
193.08234	0.5
195.06543	8.8
195.08141	0.7
197.06015	0.6
199.03906	0.8
199.07564	0.8
201.05476	0.6
203.03372	3.3
203.07039	100.0
204.07437	1.5
211.07597	1.1
213.05513	1.2
213.09050	0.9
214.09439	0.9
221.04433	9.6
221.06354	0.7
223.07631	0.9
235.07631	0.7
239.05507	20.7
239.07845	1.1
241.04820	0.6
241.08601	2.6
243.10086	0.8
245.09595	0.6
247.07474	0.8
249.09027	0.6
251.07088	0.8
253.04883	0.9
253.85027	0.5
257.08051	1.1
263.10632	1.0
265.04953	0.6
265.08569	1.5
267.06503	0.9
269.08112	5.5
277.08319	1.0
281.11804	0.5
283.09674	10.4
291.10135	1.1
293.11404	0.5
295.09613	1.8
297.83594	0.6
303.06287	0.5
305.08075	1.0
309.11139	1.7
311.09085	1.7
319.09576	2.7
321.11365	0.8
323.09195	4.4
327.12204	1.0
337.10663	8.7
347.09445	0.6
351.12256	1.3
365.10217	36.2
366.10559	0.5
369.13187	4.4
379.11670	1.7
397.12732	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1284
Annotation	beta-Apopicropodophyllin
Peak:m/z	Relative Intensity
55.05505	2.4
60.12332	1.8
67.05533	3.0
68.99803	2.5
69.93530	7.0
69.93951	3.5
79.05501	10.2
81.07058	7.9
86.09711	7.8
86.54590	1.9
91.05473	6.4
91.73622	1.9
93.03423	7.3
93.07040	4.9
95.08598	6.4
98.20802	2.4
105.03419	3.2
105.07011	2.7
106.04202	3.2
107.04967	6.8
107.08585	3.2
109.06554	3.3
119.04956	3.5
119.08558	3.3
121.06508	7.2
125.05997	2.8
129.87019	2.0
131.04971	3.0
131.08562	3.7
133.02853	26.6
133.06474	3.4
135.04443	10.2
137.05952	8.9
141.06931	2.7
142.07848	2.0
147.04459	3.2
147.08052	4.9
149.02393	4.7
149.06003	11.8
150.03119	5.5
151.03946	3.8
153.05502	15.3
153.06680	2.8
159.08073	2.6
161.02376	14.5
161.05992	4.0
162.03087	10.3
163.03879	21.9
165.05498	11.4
167.03401	5.1
173.05984	2.3
175.03911	2.7
175.07541	4.0
177.05472	63.3
178.02632	5.0
178.06255	41.9
183.08098	2.5
184.91245	2.2
185.05983	6.4
185.09671	2.0
187.03938	5.4
187.07535	3.6
189.01849	5.6
189.09177	3.8
193.04965	24.4
195.06549	7.4
198.06776	2.3
201.05492	3.4
201.09106	8.7
203.07033	100.0
205.04941	4.4
211.07526	4.0
213.09151	7.3
227.07054	7.6
229.08640	14.7
243.10245	5.4
248.08421	2.9
251.07133	3.2
252.08005	2.4
264.07834	2.1
267.10132	5.7
276.07861	2.8
279.06845	4.3
279.10239	3.1
291.10214	2.9
295.09726	2.6
306.08990	2.2
307.09589	2.9
309.11194	8.2
319.09671	6.2
321.11279	6.7
323.09299	4.7
325.14349	8.5
337.10919	3.5
351.12369	3.2
353.09692	2.9
353.13821	22.7
365.10248	6.2
367.11807	9.6
379.11826	6.9
397.12833	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1283
Annotation	beta-Apopicropodophyllin
Peak:m/z	Relative Intensity
53.03945	1.6
55.01862	2.9
55.48824	1.2
57.34079	1.2
65.03922	2.6
67.05513	1.7
68.35628	1.2
68.99793	2.7
69.22391	11.1
79.05489	5.3
81.07044	3.6
81.90656	1.2
89.58692	1.1
91.05481	5.7
93.03397	5.7
95.05000	2.1
97.06509	2.5
98.20710	2.9
103.05490	1.4
105.03381	1.8
105.07052	1.5
106.04178	2.6
107.04949	4.5
107.79752	1.3
109.06512	4.1
111.04501	1.5
117.03367	2.2
119.04926	1.8
119.08542	2.1
121.06520	10.0
122.03651	1.7
125.06000	2.2
128.06212	1.6
129.07005	3.7
131.04948	4.5
131.08652	1.2
133.02858	26.1
134.03687	1.7
135.04439	7.7
137.05960	6.8
141.07004	2.9
143.08501	1.6
144.05760	1.4
147.04402	3.2
147.08049	4.9
149.02336	3.9
149.05968	14.6
150.03125	4.8
151.03932	2.0
153.05475	19.7
155.08586	2.8
157.06523	3.2
159.04510	1.6
159.08037	1.9
160.05200	2.6
161.02367	12.9
161.05954	7.3
162.03128	8.2
163.03931	20.9
165.05516	13.7
165.06877	2.2
167.03442	8.2
167.07085	3.3
173.09674	1.5
174.94737	1.4
175.03911	3.1
175.07545	3.7
177.05484	84.8
178.02649	3.1
178.06262	46.8
178.07814	2.4
179.06584	1.5
183.08112	2.0
184.57706	1.2
185.05934	8.3
185.09607	2.6
187.03905	7.5
187.07516	2.9
189.09088	4.6
193.04982	22.6
195.06516	7.9
195.08040	2.4
198.06715	2.5
199.07542	4.1
201.05460	2.2
201.09152	11.8
203.07048	100.0
204.07280	1.7
205.04984	3.5
211.07585	6.5
213.05519	2.1
213.09146	7.3
224.08107	1.2
225.09071	1.6
227.07005	6.4
229.08578	17.8
234.06659	1.4
235.07439	2.6
239.07098	2.6
243.10190	4.7
247.07677	1.4
248.08414	2.3
249.05577	1.6
251.06955	4.1
252.07631	2.1
263.06961	2.5
263.10434	1.2
265.05099	1.5
267.06458	2.3
267.09851	1.9
276.07822	3.4
279.06494	4.2
279.10077	1.8
281.08072	1.6
291.06769	1.7
291.10144	3.8
293.11603	2.3
294.08853	4.1
295.94824	1.5
296.82742	1.4
305.08200	2.1
306.09082	2.4
307.09702	3.0
308.06732	1.7
309.11191	9.1
319.09711	8.9
321.11182	7.0
323.09207	3.9
323.12842	1.7
325.14371	10.3
333.07419	1.4
335.09146	5.4
335.12735	1.6
338.11456	1.8
351.12204	3.1
353.13861	19.6
365.10153	2.7
367.11786	8.8
379.11758	3.8
397.12827	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42433	1.5
55.01862	3.0
61.27571	1.9
68.99787	4.2
70.21799	8.1
79.05476	6.7
81.07058	4.3
91.05492	7.1
93.03409	4.3
93.07053	2.3
95.04943	2.1
95.08624	2.0
103.05469	3.1
104.34027	1.7
105.03366	3.2
107.04942	7.3
109.06532	4.2
115.05382	2.2
121.06495	7.6
129.07002	3.8
133.02858	28.4
135.04408	8.0
137.05972	4.6
141.07027	2.0
147.04388	3.8
147.08049	4.5
149.02336	3.5
149.05984	12.6
150.03177	3.8
153.05469	14.9
155.08539	2.9
157.06551	2.0
161.02357	11.8
161.05963	6.4
162.03107	8.9
163.03906	23.8
165.05481	13.4
167.03426	5.0
175.03833	3.9
175.07568	4.4
177.05486	80.2
178.02586	4.1
178.06247	41.0
185.05992	5.3
187.03911	5.2
189.01805	3.4
189.05402	1.7
189.07211	2.0
189.09103	5.6
193.04976	23.6
195.06503	7.8
195.08060	4.1
198.06847	2.7
199.07542	2.1
201.05688	3.1
201.09108	9.7
203.07033	100.0
205.04933	5.1
211.07581	5.3
213.09122	8.4
223.07570	2.3
225.09229	2.0
227.07007	7.6
229.08624	15.1
243.10193	5.5
245.09709	1.9
251.06885	2.8
257.08075	2.4
267.06506	3.4
267.10052	3.2
274.29462	2.0
276.07672	3.0
279.06491	4.5
291.10178	4.8
294.08954	3.6
307.09647	3.4
309.11194	8.8
319.09634	7.2
321.11435	5.1
323.09061	6.2
325.14355	10.2
338.11514	2.9
347.09174	3.8
351.12408	4.1
353.13837	20.9
365.10104	2.5
367.11691	11.0
379.11591	3.7
397.12848	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1284
Annotation	beta-Apopicropodophyllin
Peak:m/z	Relative Intensity
51.34247	1.1
53.03951	2.2
53.36884	1.2
55.01872	4.1
65.03952	1.5
65.67606	1.2
68.99796	3.0
71.92087	1.5
77.03925	2.6
79.05498	4.4
81.07052	3.2
91.05489	9.3
91.91950	1.7
93.03407	3.4
93.07061	2.3
95.01335	2.2
98.20753	5.3
103.05451	3.3
105.03381	5.2
105.07058	1.6
107.04961	4.6
109.02908	1.8
109.06520	5.5
115.03928	4.5
117.07054	1.5
119.04951	3.8
119.08564	2.6
121.06509	7.9
125.06093	1.5
129.06976	3.1
130.22319	1.5
131.04938	3.1
131.08545	1.7
133.02864	30.0
133.06458	1.5
135.00879	1.7
135.04456	7.0
137.05965	6.5
141.06975	1.9
145.06520	2.0
145.10106	1.6
147.04431	3.9
147.08063	6.5
149.02379	4.8
149.05998	10.6
150.03130	4.7
151.03946	3.1
153.05467	13.6
155.08565	1.6
157.06506	1.9
160.05241	1.5
161.02336	16.2
161.05991	7.0
162.03111	7.1
163.03889	14.2
165.05478	16.5
165.06767	2.6
167.03412	5.2
171.08128	1.6
173.06018	1.7
175.03853	4.0
175.07603	3.9
177.05484	56.2
178.02713	2.4
178.06285	35.1
179.03418	5.4
181.06509	1.4
183.08012	1.9
185.06023	5.2
187.03947	5.3
187.07518	1.6
189.01860	31.2
189.09166	4.1
193.04988	22.0
195.06503	4.3
195.08113	2.6
195.21194	1.3
199.07523	1.6
201.05464	2.2
201.09149	6.4
203.07043	100.0
204.07411	1.8
205.05023	3.3
211.07591	4.0
213.09119	4.9
221.04463	4.1
225.05399	1.6
227.07031	4.3
229.08536	9.2
229.45990	2.2
235.07501	1.6
239.05571	6.3
243.10168	3.0
251.06996	2.6
257.08365	2.2
263.07043	2.0
267.06537	2.1
267.10175	2.7
276.07840	2.9
277.08582	2.5
279.06494	2.1
279.10162	2.2
283.09756	9.3
291.10162	2.4
293.11652	2.2
294.08917	3.6
295.09808	1.6
305.08102	1.7
306.08844	1.4
307.09540	2.0
309.11093	6.8
319.09668	6.1
321.11234	6.1
323.09195	5.5
325.14359	7.8
335.09103	3.9
337.07193	2.1
337.10721	7.8
347.09229	2.9
351.12259	4.8
353.13840	13.3
365.10150	7.8
367.11792	6.2
379.11859	3.1
397.12799	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	397.1284
Annotation	Laurenquinone A
Peak:m/z	Relative Intensity
51.11630	0.8
52.28780	0.6
53.00280	0.6
53.03916	0.8
55.01875	7.8
67.05503	1.0
70.60786	2.2
70.61150	0.8
76.80173	0.6
77.03919	2.1
79.05499	3.3
81.07069	3.2
85.02862	0.9
87.04485	4.5
91.05492	5.0
93.07029	1.1
95.01313	1.7
95.04979	1.8
105.03402	7.2
105.07039	1.2
106.04169	0.8
107.04981	4.6
109.02882	1.0
109.06532	5.7
113.02396	1.0
115.03934	13.8
119.04886	1.5
119.08564	1.8
121.02882	0.8
121.06495	2.3
123.00816	1.1
123.04401	0.7
125.02333	1.0
128.06253	0.9
129.06987	2.5
131.04968	0.7
131.08569	0.9
133.02864	34.9
133.06561	0.8
135.00784	1.9
135.04451	3.8
135.05295	0.6
136.01573	1.0
137.05991	3.4
139.03873	0.9
141.06941	0.8
144.05786	1.0
145.02831	1.4
147.04425	2.2
147.05540	0.6
147.08038	4.5
149.02341	4.1
149.05963	1.9
150.23445	0.6
151.03896	5.2
153.05452	1.1
157.06483	1.4
159.04488	1.2
160.01596	0.9
160.05257	1.1
161.02350	25.8
161.05965	7.3
162.02992	1.2
163.03960	5.2
165.05502	9.6
165.06856	1.0
167.03401	2.2
167.07085	1.3
171.04256	0.6
173.05972	0.8
175.03914	2.3
175.07544	3.3
177.05467	6.8
178.06203	0.9
179.03400	11.8
185.06009	6.0
187.03856	1.9
189.01842	76.7
190.02200	1.4
193.04997	7.7
195.06468	2.1
197.06073	1.1
201.05405	1.2
203.03276	2.3
203.07040	100.0
204.07358	1.5
206.07115	0.8
211.07529	0.9
213.05493	1.7
219.08011	0.7
221.04416	11.9
225.05408	1.0
227.03630	0.8
229.04930	1.2
229.08545	1.2
235.07521	1.4
235.74100	0.8
239.05492	21.3
240.04257	1.0
241.04971	1.9
247.07788	1.1
248.08377	0.9
249.05438	1.0
249.09140	1.1
251.07094	0.8
253.08943	0.8
255.10022	0.9
257.08124	2.5
260.01395	0.8
261.09052	1.1
265.08685	2.2
267.06570	2.6
267.10144	0.8
269.08075	2.1
272.10519	1.0
273.08997	1.2
277.08566	1.4
281.08118	0.9
283.06528	1.5
283.09671	26.5
291.10080	1.9
295.09576	2.2
301.08673	1.2
304.07358	1.1
305.08063	1.0
308.06699	1.2
309.11200	1.5
319.09650	4.7
321.11182	1.3
323.09140	9.7
337.10736	15.1
338.11102	1.0
347.08984	2.0
351.12253	2.8
365.10211	24.6
369.13412	1.4
379.11826	2.6
397.12729	14.2
411.01804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67151	0.8
56.76831	0.8
56.96564	18.1
70.93725	1.9
84.96034	4.0
86.55154	0.9
86.68816	0.8
95.87754	1.1
98.97587	53.3
100.99148	4.7
104.83424	0.7
110.97593	15.5
112.99135	89.5
113.76782	0.8
116.10770	0.9
116.98622	10.9
119.00184	2.3
124.99139	1.7
127.00667	2.4
128.98596	8.2
131.00175	53.3
133.01674	0.9
134.99664	1.7
136.99080	1.5
140.98593	2.0
143.00166	4.1
145.01736	2.9
146.99701	1.6
149.01221	12.5
152.98689	2.0
155.00185	0.9
157.01767	1.3
158.99655	9.6
161.01286	2.2
163.02818	1.8
170.99719	4.8
173.01236	15.4
174.01019	0.8
174.11270	1.4
175.02798	8.0
177.00656	4.8
182.99730	1.0
187.02823	2.8
188.12822	1.4
189.00710	2.4
191.02248	7.2
193.03857	18.5
199.02776	0.9
201.00677	10.7
205.03851	1.7
209.01198	3.1
210.11015	15.1
211.04848	5.0
219.01770	51.4
220.02367	0.9
227.02202	1.3
233.03371	4.3
235.04903	2.2
237.00395	1.8
237.02831	37.5
247.04884	2.4
249.06503	1.2
251.04506	1.3
254.06282	1.0
255.03802	1.0
257.03284	0.9
261.03143	0.9
263.04471	4.6
275.04364	13.3
277.05981	2.5
279.07446	0.9
281.05408	4.9
293.02499	1.3
293.05466	13.1
322.07333	0.9
337.08060	100.0
338.08432	2.1
355.09119	75.1
397.05243	1.4
397.10156	18.2
397.22900	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0916
Annotation	4'-O-Demethyldehydropodophyllotoxin
Peak:m/z	Relative Intensity
51.14973	0.1
53.03931	0.4
55.01652	0.1
55.01877	1.5
57.03440	1.1
59.15109	0.1
61.02915	0.2
65.03939	0.5
67.01852	0.2
67.05495	0.2
68.99789	1.5
69.03419	0.5
71.56229	0.1
79.01864	0.3
79.05476	0.4
81.03415	1.3
81.07066	0.2
85.02426	0.2
85.02914	2.7
85.74129	0.1
91.05476	2.0
92.99760	0.5
93.03429	0.2
93.07043	0.2
95.04961	0.5
97.02875	0.5
99.04442	0.2
103.05462	0.6
105.03367	0.3
105.07004	0.2
107.04948	0.4
107.08592	0.2
109.02888	1.7
109.06506	0.3
111.04440	0.2
115.05485	0.3
119.04954	4.8
121.02875	12.6
121.06477	0.3
123.00806	0.7
123.04451	0.3
127.03902	0.2
131.04932	1.3
133.02861	0.2
135.04395	0.5
136.06146	0.2
137.02382	0.8
137.05945	0.2
141.01828	1.9
145.02850	4.2
147.04411	0.9
149.02347	0.9
149.05989	0.3
149.09625	0.2
151.03859	0.3
153.01840	0.5
159.04408	1.1
161.02376	0.2
162.04135	0.3
163.00285	0.5
163.03912	3.5
165.01842	21.0
166.02148	0.3
167.03401	0.6
169.02863	0.5
171.04376	0.3
173.02289	0.3
173.06056	0.2
175.03946	1.1
175.70853	0.2
177.01852	0.6
177.05490	1.4
178.99736	0.5
179.03375	0.7
181.04930	0.5
183.02902	4.8
187.03917	3.8
189.01837	1.8
190.02628	0.8
190.99728	0.9
191.03377	0.9
193.05008	0.4
195.02733	0.2
195.06516	0.4
197.00815	0.4
199.03969	0.3
202.02638	0.2
203.03410	1.3
205.01265	0.3
205.04968	2.2
207.02895	0.6
209.00739	0.4
213.05522	0.4
215.03358	1.5
217.05026	0.2
221.04507	0.6
223.05931	0.3
225.05415	0.2
227.06938	0.2
229.04994	0.8
231.02895	1.2
231.07999	0.2
233.04489	1.0
239.07013	0.4
242.05742	0.5
243.02916	1.4
249.03908	0.3
249.09065	0.2
252.07742	0.2
253.05016	0.3
254.05812	0.2
255.06517	0.8
256.07159	0.3
261.03918	1.0
263.07034	0.2
267.06555	3.8
269.04333	0.3
270.05206	1.5
271.06021	7.8
272.06543	0.3
273.03867	0.4
277.08575	1.0
278.12469	0.3
279.06516	3.3
280.07214	0.6
281.04550	0.8
281.08105	4.0
283.06018	100.0
284.06506	4.2
289.08652	0.4
291.06601	0.3
293.08066	1.6
294.05164	0.5
295.06030	6.5
295.09662	5.8
296.06625	0.2
297.03992	1.4
297.07611	4.9
305.08090	5.4
306.08649	0.2
307.06003	5.0
308.06790	5.0
309.03952	3.7
309.07599	9.0
310.04599	0.3
310.07932	0.3
311.05472	1.7
313.07068	3.2
320.06631	0.7
321.07602	6.3
322.08218	0.4
323.05731	1.5
323.09131	33.7
324.09509	1.2
325.07111	0.6
333.07568	7.0
334.08008	0.2
335.05487	1.4
335.09113	0.3
336.06226	0.4
337.07074	4.7
339.08868	0.1
341.06705	0.2
349.07080	24.8
350.07285	0.9
351.08643	9.1
352.08865	0.3
361.07068	11.8
362.07422	0.6
367.08145	6.6
368.08295	0.4
369.09244	0.2
379.08145	24.2
380.08463	1.0
397.09204	33.3
398.09464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.05508	2.5
56.05032	1.6
56.45058	0.7
57.03438	3.6
58.06601	0.8
59.04992	3.2
61.02928	1.2
61.80628	0.7
69.03069	1.3
69.03431	15.3
70.06601	1.6
71.05006	4.9
71.35308	1.4
72.04516	1.5
72.08150	1.6
73.02918	2.6
75.04510	0.7
81.03426	9.9
82.06589	2.3
83.04985	2.8
84.08154	9.9
85.02911	49.4
85.06553	7.8
85.08929	1.9
87.04469	4.7
95.04976	1.0
96.08166	3.5
97.02901	8.4
98.09707	12.4
98.97585	0.8
99.04471	8.2
100.11259	0.7
101.02428	0.8
101.06000	1.2
102.09193	9.9
108.08125	2.8
109.02880	6.0
111.04464	3.8
113.06017	3.8
115.03984	1.1
116.10750	7.5
122.05998	0.7
126.09163	20.8
127.03931	7.6
128.10747	1.4
131.07045	5.9
144.10207	29.4
145.05043	1.3
158.11778	16.2
158.13013	1.3
164.07014	1.0
176.12869	4.7
188.12830	2.0
204.33324	0.7
211.70712	0.7
219.07019	0.8
228.05359	0.7
228.12419	1.9
246.13344	0.9
288.14404	5.0
320.17175	6.0
322.18668	2.1
364.19656	8.5
396.22342	100.0
397.22522	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	396.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01883	8.6
56.96556	3.5
57.03428	6.0
61.02926	5.6
64.65461	1.5
64.70694	1.6
67.05493	2.7
68.99805	1.6
69.03435	35.9
69.07052	3.5
69.20596	1.9
69.20996	17.3
71.04992	5.5
71.08640	1.9
73.02925	4.3
79.05486	2.8
79.81355	1.6
81.03428	23.8
81.07059	3.3
83.08640	1.5
85.02914	100.0
86.12843	1.9
87.00837	40.7
87.04502	2.2
91.05520	3.5
93.06998	2.3
95.08638	4.1
97.02907	27.6
98.21503	4.0
98.97578	4.5
99.04471	14.2
103.05466	1.8
105.01878	56.7
105.07026	4.1
107.08660	2.0
108.04453	2.0
109.02898	27.3
109.10107	1.8
110.03188	1.6
112.35851	1.6
115.03904	1.6
116.98646	1.6
117.01838	2.9
119.08585	3.0
121.06416	1.7
124.90857	1.5
127.03928	64.1
129.01826	3.9
129.06946	1.7
129.12715	2.5
145.04987	34.7
147.02878	2.0
159.02879	12.3
176.12793	3.1
177.05470	2.6
189.03984	3.2
192.07721	2.4
203.07100	3.0
213.04083	2.9
214.09444	2.6
227.03255	4.1
231.04979	20.7
249.06068	3.1
266.12103	1.7
279.09744	1.8
298.20139	3.2
305.07913	2.5
306.08157	8.0
324.09009	2.0
368.12061	8.6
396.10580	2.7
396.15488	17.6
397.16693	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	396.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01871	0.8
56.96556	1.9
57.31217	0.6
58.70724	0.9
59.73042	0.7
67.05506	1.4
69.70546	1.2
69.70951	3.2
79.05508	4.9
81.07054	1.5
84.08138	1.2
91.05487	4.6
93.07043	1.1
95.04962	2.2
97.06487	0.8
98.97571	2.2
103.05453	4.5
105.07023	6.2
107.04958	39.4
107.08614	1.8
109.10146	0.9
110.97542	0.9
115.05459	2.4
117.07005	2.0
119.08647	0.7
120.05741	1.1
121.10194	0.8
124.05244	0.8
135.04413	1.1
135.08051	10.1
137.05923	1.1
139.03961	0.9
145.07700	0.9
147.04413	1.8
151.07545	0.9
154.06281	3.1
158.99634	0.8
161.06071	1.0
163.07541	18.4
165.05406	1.2
167.07033	20.8
167.08403	1.3
176.12846	1.6
177.05428	1.6
179.07097	0.9
180.07816	3.8
187.03986	0.9
191.06976	1.3
192.07645	1.2
195.10172	100.0
196.10539	0.9
198.85020	0.8
203.07062	2.4
204.07330	1.4
213.08971	0.9
255.06522	2.1
278.87897	0.7
284.06494	0.9
292.06738	0.8
336.09381	1.1
346.07782	1.3
364.09119	1.0
366.10452	1.4
368.11963	1.3
378.10440	1.9
379.11636	0.9
396.11411	7.6
396.15079	8.5
397.12714	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01864	2.8
55.05503	5.7
56.05042	4.1
56.96564	4.8
57.03431	4.5
59.05001	3.9
61.02903	3.5
67.05502	3.2
69.03436	15.4
69.07061	5.5
70.02950	3.9
70.06594	7.7
71.04993	5.5
71.08622	2.3
71.17416	1.9
71.56999	1.9
71.57355	2.4
72.04523	7.5
72.08145	7.2
74.02414	2.7
74.06066	2.3
75.12669	2.0
79.05480	4.8
81.03418	6.2
81.07059	14.2
83.08617	4.7
84.08139	4.2
85.02920	23.7
86.09718	5.3
90.05557	60.9
91.05488	4.9
93.07044	6.3
95.04970	5.3
95.08598	7.4
97.02881	12.0
97.06563	2.8
98.02406	9.5
98.97591	10.1
99.04470	4.4
99.08089	5.2
102.05562	4.7
103.05476	4.1
105.01871	5.4
109.02882	6.1
109.06535	15.7
110.09692	3.6
113.06015	2.6
113.09701	2.7
116.03458	9.2
116.98591	4.1
120.08127	3.3
121.06529	4.8
124.07581	2.8
127.03915	11.5
127.07552	3.0
131.04958	4.1
136.07541	6.9
138.09189	12.2
145.02844	2.6
145.04951	7.2
146.66086	2.1
147.04425	4.8
151.07539	2.6
152.07050	2.5
156.10185	5.6
158.99651	2.9
166.08682	2.8
167.07062	12.1
198.11243	18.4
199.09636	3.1
200.00241	2.5
203.07106	4.0
203.10971	3.4
214.09276	2.1
216.10480	2.5
216.12271	14.2
219.01865	2.7
234.13385	100.0
237.02861	3.5
249.16164	3.1
279.67130	2.3
301.41418	2.4
396.15695	10.3
396.20938	3.1
397.14764	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	395.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.5
57.07088	16.5
58.53098	2.8
61.74837	3.0
67.00018	2.8
67.05508	20.1
69.07072	20.0
70.84975	4.7
70.85324	6.1
71.08627	17.5
79.05099	2.9
79.05502	13.8
81.07063	46.2
82.57510	3.3
83.08621	12.5
84.72984	2.9
85.10181	11.7
88.00030	3.1
91.05481	19.3
93.07054	19.5
95.08611	42.1
97.10178	9.7
99.07640	2.8
105.07036	25.0
107.08601	17.3
108.05818	3.3
109.10161	20.7
111.11728	11.3
117.07021	12.5
119.08578	15.8
121.10164	13.2
123.11720	7.2
129.07005	5.8
130.07788	3.1
131.08568	20.7
133.10138	29.6
135.11731	5.1
137.13283	3.9
139.07574	5.2
142.07785	3.7
143.08598	6.4
145.10132	50.1
147.11685	27.8
151.07501	5.5
156.71143	3.2
157.10173	12.2
159.11705	40.7
161.05998	4.4
161.13272	11.0
162.06831	3.8
167.07047	7.1
171.11729	7.1
173.13284	18.0
175.14864	4.7
177.05548	4.3
179.07050	11.7
185.13185	3.4
187.14905	7.2
189.09181	5.6
191.07076	10.4
192.07826	12.2
195.08040	7.3
198.06818	6.2
199.14819	9.0
201.16444	3.7
203.07095	12.1
213.09126	25.3
213.16415	8.3
215.18030	4.8
241.19479	5.4
255.21036	4.4
261.08911	3.1
305.08658	3.7
311.09299	4.1
367.15341	4.5
395.14957	44.9
395.36783	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	395.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
51.26611	0.4
53.03938	0.9
55.01858	1.0
55.05504	2.3
57.07061	1.5
65.03934	0.7
66.23335	0.4
67.05502	1.9
68.99802	0.8
69.03416	0.7
69.07069	4.9
69.48731	3.4
77.03921	0.5
79.05506	5.6
81.07062	6.6
83.04984	0.6
83.08620	1.2
85.02894	1.6
91.05487	15.2
93.07044	2.5
95.01368	0.6
95.04965	1.6
95.08613	7.3
103.05464	2.4
105.07037	100.0
106.07399	1.2
107.04971	1.0
107.08598	1.3
108.05744	1.2
109.06526	2.8
109.10173	1.4
111.00809	0.9
111.04462	0.6
111.11682	0.5
113.02367	1.2
115.05518	0.7
117.07030	0.8
119.04981	0.9
119.08591	1.4
121.02898	1.2
121.06532	2.9
121.10166	1.0
123.04420	0.7
123.08103	1.1
124.05228	2.7
125.06017	0.9
127.03918	8.0
128.06258	0.6
129.07018	1.4
131.04918	0.7
133.02869	0.6
133.06503	14.0
135.04416	3.1
135.08084	1.0
135.11702	1.7
136.05206	1.2
137.05998	1.1
137.09659	0.6
137.13257	8.8
139.03940	3.4
139.07567	6.1
142.07751	0.6
144.05753	0.5
145.06482	0.6
145.10188	0.6
147.04445	1.8
147.08044	2.4
148.05280	1.0
149.02348	0.9
149.05986	1.9
151.03931	1.0
151.07545	7.6
153.05469	6.2
155.07042	1.8
157.06538	0.5
159.04436	1.3
159.08043	0.8
159.11685	0.9
161.02359	1.8
161.06020	3.6
161.09615	0.7
161.13277	0.5
162.06805	2.0
163.03931	1.2
163.07536	0.9
165.05493	2.0
165.06764	0.8
165.09055	2.5
167.03407	0.5
167.07047	6.9
168.03732	0.6
169.06532	1.1
170.07315	1.2
171.04433	0.8
171.08029	1.2
171.17995	0.5
173.06004	0.6
175.03952	0.9
175.07587	2.0
176.04691	0.9
177.05490	5.3
177.12744	0.6
178.06288	0.8
179.07043	11.4
179.10649	0.5
179.14363	0.7
181.07144	0.6
181.08595	4.0
182.07289	0.4
182.29810	0.4
185.05980	1.4
185.09567	0.5
187.03896	1.0
189.09100	4.2
191.07047	12.3
192.07825	21.0
193.05014	0.7
193.08575	3.9
195.08086	7.8
195.10175	2.9
198.06757	4.9
203.07045	13.3
205.12086	2.1
207.08368	0.8
207.10150	3.3
211.07584	0.8
213.09120	30.3
214.09433	0.8
215.10724	0.5
217.08565	0.8
218.07401	0.6
219.06554	1.4
220.07329	0.6
221.06146	0.5
221.11830	1.1
221.15367	1.0
223.07710	0.7
223.13315	1.4
241.08635	5.6
247.13309	2.3
251.10794	1.0
254.08899	0.7
255.09399	0.4
259.09622	3.6
261.09262	0.8
263.07214	0.6
263.16446	7.4
264.07852	0.5
266.05835	0.5
267.06613	1.6
279.06830	0.7
279.10226	2.0
281.08081	1.3
282.08688	0.4
285.11279	3.3
287.76382	0.4
289.08597	0.9
291.06799	0.7
291.10120	0.8
292.07452	0.9
293.08026	0.5
299.12930	0.6
305.07846	0.5
307.09525	3.9
311.09189	1.7
311.12827	1.7
313.14560	2.5
317.08017	0.7
319.06161	0.6
321.11203	1.2
325.10889	0.7
325.14511	1.3
327.09000	0.6
327.15936	3.4
331.09494	0.8
335.09207	4.3
339.15823	2.4
345.07632	0.6
349.10739	2.6
351.12280	1.0
353.17786	0.6
363.08585	8.8
363.73688	0.5
367.11014	2.7
367.15680	4.8
377.09900	0.9
377.14166	1.1
377.21204	0.8
395.14996	41.8
395.22263	16.4
396.15295	1.9
396.22794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2221
Annotation	Geranyl-2,4-dihydroxy-6-phenethylbenzoate
Peak:m/z	Relative Intensity
50.09987	0.8
53.03942	3.6
55.05504	3.4
57.07076	1.6
65.03934	2.1
67.05500	3.6
69.07080	7.4
70.50783	0.9
71.38238	1.4
77.03899	1.2
79.05499	10.9
79.34052	0.8
81.07063	8.3
91.05487	32.9
93.07051	100.0
95.04957	6.2
95.08609	3.3
103.05472	1.2
103.60811	0.9
105.04498	1.9
105.07036	12.2
107.08600	67.8
109.06506	3.4
109.10176	4.1
115.05456	1.1
117.07050	1.0
119.04977	2.2
119.06100	1.4
119.08591	7.4
121.06514	2.0
121.10133	2.3
123.08078	0.8
123.11774	1.0
124.05361	0.8
129.06985	1.4
130.21053	0.9
131.08571	2.0
133.02861	2.8
133.06497	1.2
133.10138	3.6
135.04424	1.4
135.11702	91.0
136.12082	1.4
139.07527	2.1
145.10107	1.6
147.11668	1.5
149.02367	10.0
149.05994	1.1
149.13280	0.9
151.03955	1.4
151.07547	2.7
159.04449	1.4
159.11768	1.8
161.02371	1.4
161.06010	1.5
163.03926	1.3
165.05499	1.5
167.03387	5.5
167.07053	2.0
171.11662	0.8
173.05954	1.5
173.13284	2.7
175.03925	38.3
177.05475	3.2
179.07053	3.6
187.03903	1.1
189.05486	2.7
189.09135	1.4
191.03391	1.7
191.07077	4.9
191.14302	2.6
192.07840	7.9
195.08102	4.0
198.06670	1.4
201.05492	3.7
203.03403	64.5
203.07027	9.4
204.03877	1.8
205.04964	6.5
205.08638	6.7
213.09126	11.1
217.04967	20.2
219.06523	1.9
229.05031	0.9
229.08636	1.2
231.06660	1.2
231.10175	2.5
241.08592	3.1
253.08591	1.9
257.08115	2.3
259.09702	22.2
261.11206	3.4
271.09796	1.7
273.11215	13.6
283.09677	1.4
293.15390	1.4
296.16483	0.9
308.28381	0.8
313.14359	1.7
321.14902	3.5
339.15915	6.7
349.21619	3.0
367.14755	3.2
377.21078	5.2
395.14813	17.0
395.22119	64.5
396.22433	1.7
398.38278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2222
Annotation	Geranyl-2,4-dihydroxy-6-phenethylbenzoate
Peak:m/z	Relative Intensity
53.03941	1.6
55.05514	2.4
57.07068	1.2
64.32793	0.4
65.03951	0.7
67.05499	2.0
68.99792	0.9
69.03426	0.9
69.07071	5.2
69.71840	2.4
77.03899	0.7
79.05491	5.4
81.07063	6.6
83.04959	0.6
83.08607	1.3
85.02906	0.8
91.05486	16.4
92.05759	0.5
93.07050	1.9
94.04234	0.5
95.04971	2.1
95.08607	6.2
97.10179	0.6
103.05476	2.0
105.03419	1.0
105.07034	100.0
105.70972	0.5
106.07372	1.6
107.04971	1.3
107.08591	1.6
108.05756	1.1
109.02895	0.6
109.06529	2.5
109.10162	1.7
111.00779	1.1
111.08071	0.6
113.02361	0.9
115.05418	0.8
116.49834	0.4
117.06980	0.7
119.04943	0.6
119.08592	1.8
121.02885	0.9
121.06512	3.1
121.10158	1.3
123.04392	0.8
123.08092	0.7
124.05231	2.1
125.05978	0.5
127.03926	8.5
128.06245	1.1
129.07043	1.3
131.04962	0.6
131.08595	0.6
133.02979	0.4
133.05482	0.8
133.06493	14.2
133.10135	1.3
134.06853	0.4
135.04405	2.9
135.08087	1.2
135.11728	1.2
136.05229	1.3
137.06003	1.3
137.13263	9.8
137.14328	0.5
139.03903	4.1
139.07541	6.5
141.05447	0.8
143.08533	0.6
147.04395	2.3
147.08058	3.0
148.05211	1.2
149.02393	0.9
149.05994	2.6
149.13336	0.5
150.02739	0.7
151.03893	0.7
151.07549	8.0
153.05467	7.3
153.09174	0.6
155.07085	2.1
159.04439	1.3
160.05243	0.5
161.02316	2.2
161.06006	3.1
161.09624	0.7
162.06773	2.2
163.04022	1.0
163.07550	1.0
165.05492	2.2
165.06810	0.5
165.09140	2.3
167.03448	0.8
167.07059	6.5
167.08412	0.9
169.06499	0.6
170.07294	1.4
171.08069	0.8
173.06046	0.7
175.03957	0.7
175.07567	2.6
176.04712	0.8
177.05460	5.0
177.12814	0.8
178.19667	0.5
179.07048	11.7
179.14398	0.8
181.08644	2.5
185.06004	1.7
185.09616	1.3
187.03923	1.0
189.05554	0.7
189.09108	4.8
191.07045	12.9
192.07816	19.9
193.08612	3.2
195.06494	0.6
195.08102	8.9
195.10197	3.3
197.06096	0.5
198.06778	5.5
199.07399	0.5
203.07037	15.2
205.05025	0.6
205.12273	2.0
207.10193	2.9
213.09108	29.6
214.09421	1.1
217.08655	0.9
219.06581	1.5
220.07310	1.1
221.11768	0.8
221.15405	0.6
223.13364	1.7
235.07368	0.5
241.08583	6.3
247.13411	1.8
251.10783	0.8
252.22127	0.5
259.09683	2.7
263.07193	0.6
263.16422	7.6
264.07889	0.5
267.06531	1.1
279.10022	2.3
281.08142	1.3
283.09732	0.6
285.11224	3.6
292.07291	0.6
299.12814	0.9
303.10263	0.5
307.06323	0.7
307.09570	2.8
311.09238	1.4
311.12833	1.6
313.14395	1.9
316.07578	0.5
317.08179	1.0
319.06299	0.7
321.11191	0.7
325.10767	0.6
325.14270	1.0
327.15970	3.0
335.09174	3.6
339.15887	2.8
345.07770	0.9
349.10703	2.4
351.12387	0.8
363.08624	7.2
363.12509	0.7
367.10950	2.5
367.15594	4.7
377.13867	1.2
395.14972	43.9
395.22244	14.6
396.15353	1.9
417.64871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2219
Annotation	3,5-Dihydroxy-4-geranylbibenzyl-2-carboxylic acid
Peak:m/z	Relative Intensity
52.97503	1.0
65.03959	1.9
69.07071	4.3
70.32883	4.3
91.05485	94.4
105.07051	3.4
117.07001	1.2
145.64101	1.4
151.07550	1.4
157.43135	1.2
163.03917	1.5
175.03925	12.7
178.07843	1.2
179.07153	2.2
179.08591	6.6
191.07008	2.5
192.07854	2.4
197.09663	2.8
199.07562	2.0
203.07056	2.5
207.08081	4.4
211.07545	2.4
213.09125	4.5
225.09154	6.7
227.10690	11.7
235.07468	8.9
241.08704	2.3
253.08614	100.0
254.08968	3.0
255.09805	2.0
267.10275	2.1
271.09610	5.6
318.19150	1.2
332.93768	1.1
367.15417	1.2
377.21124	69.8
378.21664	3.2
395.14871	7.9
395.22192	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	395.2219
Annotation	Geranyl-2,4-dihydroxy-6-phenethylbenzoate
Peak:m/z	Relative Intensity
51.02370	1.1
52.04094	0.9
53.03942	3.6
55.01878	1.4
55.05507	3.8
56.12334	0.9
57.07068	2.1
65.03933	2.6
67.05492	4.7
69.07068	7.2
69.58968	4.9
69.59379	1.7
72.12148	0.9
73.11906	0.9
77.03941	1.7
79.05487	11.8
79.06242	0.9
81.07059	7.3
91.05482	31.3
93.07048	100.0
94.07373	1.5
95.04984	3.9
95.08609	3.6
103.05479	1.7
105.04532	1.9
105.07037	10.3
107.04932	2.1
107.08599	69.8
109.06504	3.1
109.10165	3.1
112.91074	0.9
113.97299	1.0
117.07049	1.6
119.04948	2.9
119.06078	2.0
119.08595	6.4
121.06522	1.8
124.05198	1.1
129.18716	1.2
131.08481	1.6
133.02881	1.6
133.06459	1.8
133.10144	3.9
135.04419	1.5
135.11700	96.5
137.05977	1.2
139.07530	4.0
140.17233	1.0
145.10115	1.4
147.08038	1.4
149.02357	9.3
151.03946	1.9
151.07561	3.3
153.05565	1.1
159.04404	2.1
161.02396	1.5
161.05946	2.3
163.04010	1.2
167.03386	5.9
167.07013	4.2
171.08162	1.2
173.13298	2.0
175.03914	43.1
176.04324	1.3
177.05475	4.7
179.07031	5.7
185.05846	1.1
185.09634	1.0
189.05515	2.0
189.09129	2.3
191.03395	2.1
191.07034	8.3
191.14313	3.4
192.07816	11.2
193.05014	1.5
195.06502	1.1
195.08018	5.6
198.06798	2.2
199.07466	1.3
201.05487	3.5
203.03401	62.1
203.06969	8.4
204.03935	1.6
205.04953	8.0
205.08531	7.3
213.09111	19.0
213.11024	1.9
217.04990	18.6
229.04915	1.6
231.10204	3.0
241.08684	5.0
243.10292	1.6
245.08051	1.8
253.08742	1.2
253.28027	1.0
259.09683	26.5
261.11234	2.4
271.09665	3.0
273.11267	16.3
281.15540	1.1
283.09732	1.2
293.15411	2.1
301.83713	1.1
313.14282	2.2
315.15948	1.8
321.14865	3.3
327.15973	1.7
334.97055	1.4
339.15939	7.0
349.21652	2.4
367.15140	3.6
377.21112	5.2
395.14828	24.5
395.22156	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.6
55.01888	5.7
55.05513	20.0
55.15640	5.1
57.07065	10.3
58.20662	4.8
67.05483	10.6
69.03435	33.6
69.06715	8.5
69.07071	100.0
71.04994	6.0
71.57513	10.5
75.20267	5.3
79.05482	7.5
81.03416	27.5
81.07063	14.2
83.04979	5.8
84.08175	5.7
85.02915	57.5
87.00843	33.5
91.05482	12.6
93.07034	8.7
95.04940	11.2
95.08604	11.8
97.02889	20.3
99.04449	13.7
105.01875	26.7
105.07039	18.0
107.08609	13.3
109.02882	28.1
109.06525	13.2
109.10154	13.3
111.11707	21.6
117.07018	7.6
119.08585	12.2
127.03923	55.2
129.12762	55.9
131.08566	13.0
133.10089	6.6
135.08069	8.4
137.06003	9.5
145.10115	15.0
147.08061	8.8
161.06084	7.1
161.09589	6.8
164.38560	5.3
169.10078	7.4
173.09555	5.7
173.48872	4.8
187.11214	11.4
189.09111	8.9
189.12875	5.6
191.07045	8.8
191.10710	6.8
192.07814	17.2
192.09792	5.5
200.02969	5.1
203.06996	13.5
213.09132	25.0
215.10706	8.6
233.11777	9.4
235.12982	5.9
395.14880	28.7
395.21451	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	395.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.6
55.01888	5.7
55.05513	20.0
55.15640	5.1
57.07065	10.3
58.20662	4.8
67.05483	10.6
69.03435	33.6
69.06715	8.5
69.07071	100.0
71.04994	6.0
71.57513	10.5
75.20267	5.3
79.05482	7.5
81.03416	27.5
81.07063	14.2
83.04979	5.8
84.08175	5.7
85.02915	57.5
87.00843	33.5
91.05482	12.6
93.07034	8.7
95.04940	11.2
95.08604	11.8
97.02889	20.3
99.04449	13.7
105.01875	26.7
105.07039	18.0
107.08609	13.3
109.02882	28.1
109.06525	13.2
109.10154	13.3
111.11707	21.6
117.07018	7.6
119.08585	12.2
127.03923	55.2
129.12762	55.9
131.08566	13.0
133.10089	6.6
135.08069	8.4
137.06003	9.5
145.10115	15.0
147.08061	8.8
161.06084	7.1
161.09589	6.8
164.38560	5.3
169.10078	7.4
173.09555	5.7
173.48872	4.8
187.11214	11.4
189.09111	8.9
189.12875	5.6
191.07045	8.8
191.10710	6.8
192.07814	17.2
192.09792	5.5
200.02969	5.1
203.06996	13.5
213.09132	25.0
215.10706	8.6
233.11777	9.4
235.12982	5.9
395.14880	28.7
395.21451	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	395.1488
Annotation	8-C-Methylvellokaempferol 3,5-dimethyl ether
Peak:m/z	Relative Intensity
50.92785	0.9
55.05512	1.1
56.96575	2.7
66.74593	1.0
67.05505	3.5
69.07062	1.8
70.06593	1.5
72.00587	0.9
73.02937	1.0
79.05492	5.2
81.03399	1.4
81.07068	4.5
91.05488	5.0
92.66930	1.1
93.07063	4.6
93.07621	1.1
95.04997	1.2
95.08637	3.6
95.17463	1.0
97.06522	1.4
98.97598	3.0
103.05454	1.0
105.07021	5.2
107.04967	1.3
107.08600	3.5
109.06545	3.9
109.10182	2.3
116.98586	1.2
117.07049	1.8
119.08607	3.3
121.06516	1.3
121.10133	1.2
124.05230	1.9
128.06230	1.3
129.07057	1.3
131.08624	1.3
133.06496	2.3
133.10175	1.9
135.04471	1.7
137.06068	1.5
139.07574	2.8
141.07054	1.6
143.08560	1.5
145.10173	1.9
147.04457	3.4
147.08028	1.7
147.11711	1.3
148.05272	1.0
149.02382	1.8
149.06012	1.2
151.07573	3.7
153.05576	1.3
157.10135	1.2
159.11732	2.1
161.02399	1.9
161.06038	3.3
161.09715	1.6
162.06821	1.4
163.04004	1.1
167.07072	4.5
170.07259	1.4
171.11702	1.5
177.05479	5.9
179.07056	7.2
179.08492	1.5
184.61513	1.0
185.06113	1.5
189.09137	4.5
191.07030	10.1
192.07823	14.7
193.05045	3.2
193.08623	1.6
195.08096	5.9
197.06155	1.1
198.06796	2.7
199.07487	1.2
203.03525	2.1
203.07024	13.9
203.08698	1.2
213.09087	18.2
219.06506	1.8
233.09825	1.6
235.07480	1.3
241.08705	3.2
259.07697	2.1
260.08414	2.2
261.09171	2.3
262.06271	1.1
262.09625	1.0
269.64307	1.0
272.08374	1.3
273.05997	1.4
273.08981	1.3
274.10013	1.3
275.07159	3.7
275.10663	2.6
277.08554	2.0
279.10138	1.3
287.07349	1.9
287.10715	1.4
288.07840	5.2
289.08557	1.3
289.12128	1.3
291.06757	1.6
291.10199	2.6
293.11746	2.3
302.09329	2.2
303.06567	9.9
303.10287	10.4
303.12906	1.0
304.07379	1.5
305.08261	2.2
305.11670	2.1
307.09711	2.2
307.13141	1.2
311.05829	1.2
311.09158	1.2
317.08289	2.1
317.11722	2.5
318.09012	3.1
318.12665	5.1
319.05972	1.9
319.09497	1.4
319.13141	1.2
320.10410	1.3
321.11353	2.8
331.09656	11.5
333.07715	1.8
333.11200	19.8
333.14862	1.6
334.08463	1.7
335.09286	4.3
345.11444	2.8
346.12042	7.1
347.09174	11.7
349.10715	15.3
349.14474	1.5
362.11795	2.0
363.08536	2.4
363.12482	2.3
364.13089	3.6
365.14111	1.7
367.11752	3.5
367.15469	3.8
377.10223	1.1
377.13971	20.8
377.18222	1.9
377.28131	1.6
378.14374	1.6
395.15082	100.0
395.27417	5.6
396.15454	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	395.1491
Annotation	Robustic acid methyl ether
Peak:m/z	Relative Intensity
55.01851	0.9
69.07066	1.0
77.03938	0.7
79.05473	0.6
81.07031	0.8
91.05456	1.7
91.20438	0.5
105.03368	0.7
107.04945	2.5
115.05373	0.5
119.04931	0.9
128.06129	0.6
129.06993	0.5
131.04913	1.4
133.02846	1.1
135.04381	1.3
139.07521	0.9
141.07060	0.6
143.08583	0.5
145.06456	0.6
147.04440	7.1
147.08076	1.1
148.05177	2.1
149.02339	3.3
151.03893	1.6
151.07536	3.4
152.06223	1.1
153.06889	0.7
157.06442	1.0
159.04407	1.5
160.05159	0.7
161.02357	5.3
161.05977	1.1
163.03949	3.3
163.07632	0.6
165.05605	1.2
165.06982	2.1
167.03381	1.6
167.07065	1.3
167.08473	0.8
169.06497	1.3
171.04395	0.5
173.06004	0.6
175.03934	3.8
175.07625	1.4
176.04710	2.8
177.05444	1.6
178.06230	4.0
179.03442	1.4
179.07036	5.9
181.06516	1.5
183.04488	0.8
183.08025	1.7
184.05191	0.8
185.05945	1.6
189.05406	0.9
189.09129	1.9
191.07028	18.9
191.10637	0.6
192.07791	2.2
193.04915	2.2
194.07275	0.7
195.08119	2.6
196.08810	1.2
197.05930	2.8
198.06769	3.9
199.03896	1.7
199.07571	1.2
201.09174	0.7
203.07022	15.0
205.04791	0.6
208.05141	1.2
208.08768	0.6
209.05946	2.2
211.03946	0.6
211.07526	3.1
212.04700	0.6
212.08339	1.0
213.05470	1.9
213.09056	3.3
214.06233	1.2
215.06998	1.1
217.08556	1.2
219.06400	1.1
219.08257	0.7
221.06039	1.8
221.11714	1.3
222.06761	2.1
223.07571	2.5
224.08360	3.5
225.05470	3.8
226.06279	0.8
227.03397	1.1
227.10608	1.3
229.08615	7.8
233.06003	0.6
236.04654	2.3
236.08180	1.0
237.05498	2.9
238.06291	0.7
239.03349	3.2
239.07079	4.3
240.07828	3.2
241.08597	3.2
242.05725	5.1
244.11119	0.6
245.04465	0.9
247.03891	0.8
249.05469	2.2
250.06175	2.4
251.07018	4.1
252.07817	6.4
253.04936	1.9
254.05774	0.7
255.10207	5.0
257.08072	10.0
263.07068	0.9
264.04211	8.1
264.07791	1.6
265.04932	4.4
265.08459	1.2
266.05783	0.8
267.06546	8.4
268.07330	3.3
269.08038	1.7
275.03442	0.8
275.06894	0.7
277.04971	1.4
278.05859	1.5
279.03491	1.0
279.06555	16.5
279.09909	1.6
280.07266	4.9
281.04568	2.9
281.07465	0.5
282.08881	0.7
283.06451	1.1
283.09616	8.6
285.07861	1.6
291.06570	0.6
292.07300	1.5
292.10608	0.7
293.04446	6.5
293.08087	4.5
294.05194	0.8
294.08646	0.7
295.06024	5.7
295.09680	2.6
296.06726	3.3
297.07559	2.5
298.08508	0.7
299.09277	1.0
305.04565	0.8
306.05161	1.2
307.05997	7.7
307.09650	2.2
308.06812	6.8
308.10303	1.1
309.04279	0.9
309.07550	3.6
311.09140	100.0
312.09650	1.5
317.08194	0.8
319.09729	0.6
320.06714	2.2
320.10455	1.5
321.07599	9.9
323.09189	0.6
324.06284	1.7
325.06927	0.9
333.04138	0.8
335.09122	9.8
335.12885	5.1
336.09866	2.7
337.10837	1.3
339.08630	22.6
340.09189	1.1
349.10608	2.6
363.08456	4.0
363.12482	5.7
364.13037	6.4
365.09814	1.0
365.13849	1.7
367.11826	2.4
367.15424	67.9
368.15701	2.2
369.13715	1.2
380.12445	2.2
395.11014	15.0
395.14987	47.8
396.15320	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1491
Annotation	Rotenone
Peak:m/z	Relative Intensity
53.03934	1.1
55.01851	0.4
65.03917	0.5
66.04707	0.8
68.99788	0.3
69.29815	0.4
69.77950	1.2
69.78357	0.5
79.05499	2.7
81.03394	0.3
81.07038	0.9
91.05489	2.6
93.03397	0.4
94.04176	1.4
95.01318	0.7
95.04934	1.0
96.05728	0.8
98.21420	0.6
103.05471	1.2
105.03381	1.2
105.04479	0.5
105.07047	2.2
107.04955	2.4
107.21394	0.3
108.05755	2.7
109.02869	0.9
109.06519	2.9
115.05437	0.9
117.07038	0.6
118.04180	0.7
119.04942	0.8
119.08553	1.4
121.06505	4.6
122.03638	0.8
124.05210	5.2
125.06012	1.0
128.06215	1.4
129.06990	1.1
131.04959	0.8
133.02835	1.3
133.06509	3.2
135.04407	3.2
135.08040	0.5
136.05197	3.1
137.05974	0.9
139.06506	0.7
139.07547	13.5
142.07790	1.2
144.05702	0.7
145.06392	0.5
147.04398	3.7
147.08020	4.6
148.05179	3.4
149.02354	1.3
149.05943	1.5
150.06731	1.2
151.07541	18.1
152.06209	0.8
153.05518	0.6
155.07030	1.6
156.38718	0.4
157.06529	0.7
159.04404	2.5
161.02345	3.5
161.05984	6.9
161.09607	0.5
162.06744	4.3
163.03903	1.7
163.07503	0.6
164.04758	0.4
165.05505	0.8
165.06808	0.8
165.09073	2.3
167.07053	12.2
167.08374	0.5
169.06479	1.0
170.07303	2.3
171.08064	1.5
173.05986	1.1
175.03922	1.0
175.07553	1.2
176.04697	1.6
177.05478	12.1
178.06221	2.0
179.07037	22.0
181.04964	0.8
185.06009	2.1
185.09625	1.4
187.03918	0.6
189.05495	0.8
189.09111	7.4
191.07037	28.3
192.07817	49.1
193.08594	4.0
195.06552	0.7
195.08063	18.2
198.06783	9.6
199.07498	0.6
203.07030	29.2
205.04991	0.7
211.07642	0.5
213.09108	61.1
215.10663	0.8
217.08673	0.8
219.06592	1.1
220.07275	2.6
223.07573	1.4
226.06203	0.5
229.08624	1.0
239.07251	0.4
241.08577	11.7
257.48962	0.4
275.06360	0.4
321.11154	0.6
327.08746	1.6
347.09241	0.5
349.10571	0.6
362.11795	0.4
367.15350	5.7
377.13916	1.6
380.12305	0.5
395.14905	100.0
396.15384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01845	0.9
57.16620	1.1
64.74979	1.2
66.04715	1.0
69.61180	0.9
70.73239	3.3
73.50478	1.1
78.98921	1.0
79.05484	3.4
81.07072	1.9
91.05505	3.6
94.04173	3.0
95.04974	1.1
95.56506	1.0
96.05767	1.1
103.05482	2.1
105.07050	1.0
107.04943	2.7
108.05746	2.7
109.06541	3.5
115.05477	1.1
119.04976	1.9
119.08511	1.0
121.06526	3.9
124.05215	8.3
129.07004	1.4
131.04930	1.8
133.06493	4.8
135.04414	3.8
136.05223	3.6
139.07550	20.2
143.08524	1.3
147.04445	5.4
147.08044	7.6
148.05148	2.5
149.02400	2.2
149.06023	1.4
150.06778	1.2
151.07552	15.1
152.06218	1.8
152.13416	1.1
153.05481	1.1
155.07034	2.5
159.04442	4.6
161.02351	4.5
161.05969	8.4
162.06760	5.6
163.07678	1.1
165.09154	3.6
167.07071	18.3
169.06497	2.8
170.07286	5.2
173.06010	1.5
175.03897	2.8
175.07553	1.8
176.04692	2.6
177.05490	13.8
178.06252	1.8
179.07048	17.7
185.06007	2.4
185.09563	2.1
189.09119	13.5
191.07043	32.9
192.07819	53.2
193.08646	6.5
195.06490	1.2
195.08076	22.6
198.06746	14.4
203.07060	30.3
203.08995	1.7
213.09119	72.1
214.65565	1.1
219.06512	1.0
220.07368	2.0
223.07677	1.6
229.08540	2.3
241.08588	13.0
367.15555	6.4
395.14920	100.0
396.15222	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	395.1493
Annotation	Rotenone
Peak:m/z	Relative Intensity
54.85186	1.2
57.06614	1.0
59.04396	1.2
69.32787	9.9
75.82940	1.2
79.05499	3.5
81.07042	1.4
91.05496	3.2
94.04207	1.9
96.05740	1.5
103.05413	2.1
105.07030	4.0
107.04957	4.1
108.05778	2.1
109.06535	3.1
118.04153	1.4
121.06529	5.1
122.03631	1.2
123.04395	1.7
124.05208	6.4
126.95731	1.1
129.06993	1.3
131.04922	1.7
133.02878	1.6
133.06519	5.1
135.04396	5.9
136.05214	3.5
139.07542	18.1
142.07768	1.7
147.04411	3.5
147.08018	3.8
148.05240	2.5
149.02348	2.5
149.06007	2.8
150.06760	1.8
151.07550	13.9
155.07022	3.9
157.10249	1.2
159.04439	8.3
161.02327	3.5
161.06036	7.6
162.06754	8.5
163.03905	3.4
165.09119	5.0
167.07072	16.0
169.06505	1.6
170.07289	3.2
175.03955	2.2
175.07611	1.6
176.04491	2.4
177.05515	12.6
178.06247	1.9
179.07053	19.4
185.05988	3.1
185.09639	2.1
189.09129	17.5
191.07060	30.5
192.07829	61.5
193.08600	12.6
195.08087	11.5
197.05861	1.1
198.06778	12.0
199.03984	1.9
203.07056	27.4
213.09126	78.2
219.02954	1.8
219.06657	1.6
220.07272	2.2
229.08640	1.7
241.08598	16.4
312.87320	1.5
335.12592	1.2
367.15463	8.4
377.13629	1.6
382.35522	1.3
395.14941	100.0
396.15399	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
60.08163	4.3
61.02921	0.9
69.03418	1.1
71.18262	1.6
72.08165	1.2
75.63920	0.6
81.03400	0.8
81.06987	0.6
83.96563	0.5
84.08144	1.0
85.02898	1.5
85.94576	0.6
95.01257	0.6
96.22466	0.6
97.02895	1.4
98.97580	2.6
111.04442	1.3
116.98591	0.8
118.06563	1.5
120.08120	4.1
127.03922	0.9
130.06523	2.9
136.07678	0.7
139.07573	1.1
144.08099	1.5
146.05984	0.7
147.04480	0.8
151.07573	1.1
154.06485	1.6
156.08069	1.6
157.05046	0.9
158.06013	1.7
158.99693	0.8
160.07584	0.7
168.04530	0.7
170.06047	5.8
172.07590	2.8
177.05461	1.2
179.07040	1.3
182.06029	2.5
184.07515	0.9
186.05522	1.6
188.07091	1.2
191.07001	1.1
192.07840	2.7
195.08025	1.2
197.10660	0.8
199.08675	2.7
200.07095	2.9
200.09468	2.9
201.10139	1.2
203.07047	1.8
211.08717	3.4
212.07124	0.9
212.09407	1.8
213.10229	5.0
214.10980	1.7
215.11813	9.0
217.09789	1.5
219.04700	1.1
223.12189	1.0
225.10257	4.6
226.11020	1.1
227.08109	0.6
227.11829	0.9
228.06540	1.0
229.09752	1.9
231.11322	0.9
234.06812	0.8
237.03012	0.7
239.08115	4.2
239.11763	3.2
240.08965	2.0
241.09602	2.3
241.13428	4.7
242.10530	4.0
243.07655	1.6
243.11288	8.2
244.08424	0.8
245.09161	1.8
246.07657	5.4
251.11696	0.9
253.09682	5.1
257.09201	4.2
257.12756	1.0
258.09915	0.7
259.10712	3.9
263.10254	2.9
267.11209	3.6
268.08521	2.0
269.03503	1.1
269.12866	5.0
271.10782	26.9
275.10281	3.0
285.12320	6.3
286.06268	1.7
286.09372	0.9
287.13959	2.0
295.10846	2.3
297.12375	5.7
303.09933	1.3
303.13553	1.4
313.11768	7.6
315.13382	6.5
318.09708	4.6
321.10803	2.6
323.10233	2.6
331.12946	2.0
332.06650	1.1
333.14499	1.8
336.10797	7.8
341.11325	7.7
349.14084	1.2
359.12430	12.2
367.15228	1.0
377.08813	1.4
377.13458	19.5
395.14499	100.0
396.14774	1.2
399.40866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07670	0.5
55.05524	0.6
55.42027	0.5
55.65109	0.6
60.08173	3.7
67.05511	0.6
69.03422	1.9
70.06584	0.9
71.58006	0.7
71.58384	0.6
72.08152	0.8
81.03413	0.9
81.07059	0.7
82.06583	0.6
83.04967	0.7
85.02936	1.1
91.05482	0.7
95.04966	0.7
95.59236	0.5
98.97647	0.6
105.07046	0.7
107.08560	0.5
109.06517	0.7
110.49386	0.6
115.05496	0.7
118.06547	1.3
121.10164	0.5
125.42312	0.7
127.03979	0.8
130.06529	0.6
136.07603	0.8
136.13326	0.6
140.04956	0.8
144.08133	0.9
145.10280	0.6
146.06015	2.9
147.04385	0.6
158.06046	8.2
163.08644	0.7
168.04474	1.8
170.06009	3.0
172.03989	0.8
184.65178	0.7
185.04214	5.6
186.05508	5.3
188.07094	1.6
188.82440	0.5
205.12315	0.6
214.05019	4.4
217.04926	1.5
232.07024	8.7
233.07861	10.9
336.10852	5.9
349.23962	0.5
364.11313	2.0
365.12158	1.1
395.13199	100.0
395.17670	4.7
396.13275	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	395.1129
Annotation	Laurenquinone B
Peak:m/z	Relative Intensity
55.01865	1.4
55.20959	0.9
67.05473	1.8
70.89830	1.9
70.90180	0.8
79.05473	4.0
81.07038	3.4
91.05473	2.2
95.04939	1.2
95.08604	1.2
105.07000	2.0
107.04976	1.8
108.05703	0.8
109.06503	2.4
117.07045	0.9
118.04111	1.0
121.06496	2.2
128.06259	1.0
129.06993	1.4
131.08533	1.0
133.02840	3.8
133.06456	2.3
133.10124	1.1
135.04372	3.8
136.05136	1.8
139.07547	4.4
147.04335	3.0
147.08020	1.4
148.05161	2.8
149.02324	2.6
149.05904	2.7
151.03905	2.0
151.07547	12.4
153.05385	1.3
159.04437	1.5
161.02319	4.1
161.05945	3.1
162.03134	4.5
163.03870	3.3
165.05409	1.7
167.03473	2.0
167.07005	3.5
171.04388	2.0
173.13217	0.9
175.03835	1.4
175.07559	2.1
177.05458	14.0
178.06224	3.3
179.03435	1.1
179.07025	19.0
185.05977	3.8
185.09602	0.9
187.03906	5.0
187.14752	1.2
189.09096	2.8
191.03419	2.8
191.07036	12.2
192.07820	21.7
193.04955	2.2
193.08594	2.6
195.08069	5.1
196.71584	0.9
198.06723	3.8
199.07504	1.2
203.07022	17.1
208.38216	0.9
213.09117	17.4
217.04846	1.4
219.02942	5.5
220.07329	1.5
227.03543	1.0
227.06967	2.5
237.05621	1.5
241.08643	5.0
253.08537	1.2
261.09125	1.9
263.07062	2.0
264.07715	1.4
265.04846	1.6
275.06812	1.1
277.04932	2.7
279.06366	1.1
279.10104	1.0
281.08099	1.6
289.08289	1.6
291.06482	2.9
292.07135	2.0
293.04453	1.4
293.08017	2.8
295.06097	0.9
303.06689	1.7
303.09851	1.0
305.08231	1.1
307.05994	1.1
307.09546	2.9
309.07535	3.2
311.09079	2.9
316.07318	1.6
317.07983	3.5
319.06049	5.2
320.06686	1.2
321.07498	1.2
323.05460	1.6
323.09131	1.1
331.05981	1.7
331.09662	1.1
333.07477	1.3
334.08572	2.0
335.09109	5.6
337.06989	5.8
344.06537	1.2
345.07571	7.0
347.05524	4.6
348.06204	2.9
349.10690	6.2
351.08456	1.3
352.09412	2.7
353.10010	4.1
359.09006	2.6
362.07718	3.4
363.08658	35.4
364.08954	1.6
367.11633	23.9
367.15384	3.4
377.10178	26.7
379.07874	2.0
380.08917	1.2
395.11075	100.0
395.14935	8.3
396.11523	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	395.1129
Annotation	F-9775A
Peak:m/z	Relative Intensity
52.21175	0.6
53.66502	0.6
55.01870	0.9
56.96550	1.2
64.71227	0.6
65.03901	0.7
67.05484	1.2
69.07045	1.1
69.69996	2.6
77.03904	0.9
79.05487	1.3
81.07030	1.1
90.17656	0.7
91.05470	2.1
95.01308	0.8
105.03373	1.2
105.07022	1.0
107.04983	3.2
109.02834	0.7
109.06501	0.6
114.42721	0.8
119.04943	0.8
119.08539	0.8
129.06976	0.6
131.04936	1.2
133.02834	2.0
133.06569	0.6
135.04442	2.8
139.07535	1.6
141.06947	0.7
145.06471	0.6
146.03728	0.8
147.04420	9.2
147.08061	1.0
148.05171	1.4
149.02324	3.3
151.03915	2.0
151.07539	2.5
152.06262	0.7
159.04384	1.3
160.05168	0.8
161.02365	4.9
161.05971	1.9
162.03098	0.7
163.03903	2.9
163.05026	0.6
163.07584	0.6
165.05466	1.6
165.07028	1.8
167.03381	1.7
167.07083	1.5
167.08517	1.0
168.05658	0.9
169.06488	1.8
171.04378	1.2
171.08128	0.7
173.05939	0.7
173.09627	0.9
175.03944	4.5
176.04762	2.8
177.05495	2.0
177.07127	0.7
178.06274	3.5
178.07687	0.9
179.03362	1.4
179.07076	4.5
179.08435	1.2
181.06496	2.3
182.07326	0.6
183.04488	1.1
183.08047	1.5
184.05209	0.7
185.05968	2.1
186.06793	0.7
189.05434	1.1
189.07047	0.6
189.09067	0.8
190.07733	0.8
191.07031	20.8
191.08745	1.1
192.07758	3.1
193.04962	1.9
193.06471	1.1
194.07278	1.4
195.08008	3.4
196.05200	0.7
196.08849	1.5
197.05930	2.7
198.06770	4.4
199.03900	2.3
199.07495	1.1
200.77803	0.5
201.09093	0.8
203.07013	11.0
203.08684	1.3
206.07040	0.6
208.05109	1.2
208.08954	0.7
209.05960	2.5
211.07568	4.5
212.08382	1.3
213.05472	2.2
213.09119	4.9
214.06213	1.9
215.07060	1.1
217.08580	1.6
218.07277	1.0
219.08147	1.4
220.08870	0.7
221.06000	2.3
221.09656	1.2
221.11763	1.2
222.06747	1.9
223.07518	3.2
224.08351	4.2
225.05452	4.8
225.08916	0.8
226.06256	2.0
227.03412	2.6
227.07019	1.1
227.10648	1.3
229.08582	7.0
231.08186	0.6
233.09520	0.8
234.06624	0.9
235.07600	1.8
236.04677	2.6
236.08403	2.1
237.05502	4.0
237.09114	1.9
238.06355	1.0
239.03448	3.8
239.07063	4.8
239.10724	0.6
240.07773	3.3
241.04930	0.9
241.08614	3.4
242.05688	4.6
245.04510	1.9
247.07614	1.4
248.04773	0.6
248.08333	1.3
249.05627	2.9
249.09103	1.5
250.06392	3.2
251.07083	5.5
251.10654	2.1
252.07796	7.5
253.04919	3.7
253.08533	0.6
254.05836	0.9
255.10202	5.1
257.05630	1.2
257.08087	11.2
261.05560	0.8
261.09158	0.8
262.06039	0.8
263.07123	3.0
263.10214	0.6
264.04205	9.8
264.07791	3.6
265.04962	6.2
265.08557	3.0
267.06503	8.0
267.10272	1.0
268.07288	3.8
269.08160	2.4
274.06265	1.8
275.03430	1.5
275.06961	1.6
277.05054	2.2
277.08475	0.7
278.05737	1.5
279.06540	18.4
279.10126	4.5
280.07306	5.3
280.10431	1.0
281.04395	3.0
281.07813	1.1
282.05258	0.9
282.08725	0.8
283.06244	0.9
283.09528	7.3
285.07910	1.2
289.08572	1.9
290.05923	0.7
290.09280	0.6
291.06613	2.0
291.09973	0.7
292.07327	3.5
292.10373	0.7
293.04456	6.3
293.08090	12.3
294.05252	1.0
294.08755	1.1
295.06027	7.4
295.09607	2.9
296.06769	3.4
296.58676	0.6
297.07605	2.1
302.05591	2.2
303.06485	1.8
305.04449	4.1
305.08002	1.4
306.05209	1.9
307.05991	7.1
307.09647	7.8
308.06760	7.1
308.10397	2.4
309.03925	1.9
309.07587	5.1
311.09140	100.0
312.09573	2.2
317.07971	3.1
319.06140	1.3
319.09601	1.0
320.06799	3.6
320.10376	1.6
321.07590	23.7
322.08060	1.1
324.06238	2.1
325.07132	0.8
333.03931	1.9
333.07410	0.9
335.09198	22.7
335.12781	4.4
336.09900	6.4
337.07242	0.9
339.08630	22.5
339.12692	1.3
340.09042	1.0
345.07510	0.8
348.06268	1.8
349.06937	0.8
349.10583	2.8
351.12274	1.4
363.08566	7.9
363.12418	4.4
364.13110	4.6
365.13870	1.3
367.11789	3.7
367.15445	63.2
368.15930	1.5
369.13815	0.8
380.12521	1.3
395.11102	43.3
395.15054	38.7
396.11667	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	395.113
Annotation	Justicidin C
Peak:m/z	Relative Intensity
53.03958	0.4
53.97435	0.4
55.01873	1.0
55.05501	0.6
65.03967	0.4
67.05488	0.8
68.99809	1.0
69.03446	0.7
69.07080	0.5
76.03140	0.3
79.05500	1.8
81.07058	0.6
83.04982	0.6
85.02899	0.7
85.89303	0.4
91.05491	1.6
93.07056	0.6
95.04989	1.0
95.08652	0.7
103.05482	0.7
105.03403	0.8
105.07024	1.5
107.04987	1.9
107.08609	0.8
108.03764	0.4
109.10229	0.4
111.04449	0.8
115.05467	1.3
117.07036	0.7
119.04943	0.5
119.08579	1.1
121.06539	0.5
121.10184	0.4
128.06255	2.5
129.06987	3.1
131.04962	0.7
133.02879	0.8
133.10120	0.4
134.03665	1.2
135.04446	0.7
137.05966	1.0
139.03903	0.6
139.05392	0.4
141.06984	1.1
143.04915	0.5
144.05687	0.8
145.06488	1.2
147.04408	1.0
147.08084	0.5
149.02354	1.9
149.05997	0.6
151.03958	0.4
152.06223	0.5
153.05423	1.1
153.07018	1.2
154.07637	0.4
155.04938	0.9
155.06114	0.5
157.06516	3.7
158.03584	0.7
159.04407	0.5
160.38046	0.4
161.06017	1.3
162.03130	5.5
163.03944	0.8
164.04703	1.1
165.05574	0.4
165.07039	1.2
167.03500	0.8
167.04924	0.4
167.07181	0.4
169.06534	1.6
170.07182	0.5
171.04424	0.8
172.05208	0.5
173.05983	0.6
175.03928	0.5
175.07500	2.3
177.05482	14.4
177.09045	0.5
179.03403	2.6
179.06969	0.7
179.08531	0.5
181.06480	2.3
183.04468	1.5
184.05255	1.0
185.06021	4.2
187.03949	1.1
187.07582	1.2
187.11205	0.6
189.05492	0.7
189.09045	0.6
190.07762	0.9
191.03400	0.7
191.07021	0.7
191.08640	0.6
191.10690	0.6
193.06580	0.4
195.08063	0.9
197.05978	1.7
198.06825	0.7
199.07614	0.7
200.04761	1.3
201.05495	1.4
202.07852	0.5
203.06985	2.1
203.08626	0.9
205.10242	0.6
207.08026	0.9
209.05957	2.9
209.09456	0.4
210.06711	0.4
211.04010	0.6
211.07634	1.2
212.04649	0.6
213.05484	3.2
213.09145	1.1
215.06891	0.8
215.08626	1.3
216.46167	0.4
218.07239	1.1
219.08153	1.2
221.06007	0.9
221.09610	0.4
223.07582	0.7
224.04695	0.9
225.05476	1.1
226.06256	1.1
227.07018	0.9
228.04166	1.1
232.08977	0.8
233.09657	2.0
235.04054	0.4
235.07591	1.3
236.08330	0.8
237.05481	5.5
237.09229	1.1
238.06186	0.6
239.07088	0.5
241.05025	0.8
241.08685	0.9
243.06363	3.1
245.09760	0.5
246.06792	0.6
247.07634	1.4
249.05470	1.6
249.09161	0.8
250.06383	0.4
250.09779	0.7
251.03526	0.5
251.07008	1.0
252.04199	1.7
253.05115	1.0
253.08405	0.4
254.05765	1.1
255.06506	0.5
255.10246	0.8
256.07425	0.4
259.07700	0.5
260.08383	0.9
261.09146	3.8
263.06851	1.9
264.07852	1.0
265.05008	5.0
265.08514	1.2
265.12314	0.5
266.05707	1.0
267.06589	0.9
267.10007	0.4
268.03629	0.6
268.07281	0.5
269.04752	2.0
269.07751	1.8
271.07629	1.2
274.06235	0.9
275.07013	1.2
276.07721	0.9
277.05313	1.9
277.08646	1.7
278.09473	1.7
279.06720	0.5
279.10196	2.1
281.08035	0.5
282.05286	3.3
282.08231	0.6
283.06046	2.2
284.06747	2.1
285.07541	0.8
287.07053	0.8
288.07547	0.9
289.08597	4.7
291.06561	1.6
292.07260	0.7
293.04492	1.0
293.08112	1.7
293.11597	0.8
294.05344	1.4
295.06046	1.7
295.09454	0.8
297.07587	17.0
298.08136	0.6
303.06601	0.5
304.07309	0.8
305.04825	0.8
305.07938	2.8
306.08820	4.5
307.06186	0.7
307.09616	4.6
309.07532	4.9
310.08340	0.7
311.09024	0.6
316.07297	1.5
317.08109	3.9
321.07492	2.6
321.11249	3.9
322.11893	0.6
323.09149	1.2
324.09918	3.7
331.05988	0.6
331.09659	0.9
332.06818	0.9
333.07635	2.7
334.08368	5.4
335.09131	13.2
336.09705	0.8
337.10870	0.5
339.12317	7.6
340.12286	0.5
345.07568	0.8
349.07095	0.6
349.10696	8.1
352.09406	0.6
363.08655	4.7
364.09415	1.1
365.10147	0.8
367.11780	100.0
368.12180	4.0
377.10168	0.8
380.08893	1.7
395.11255	35.8
395.24100	1.6
396.11667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
68.99789	2.0
71.58411	0.8
79.05481	2.2
81.07067	4.9
91.05495	1.1
93.07056	0.6
95.08641	0.8
103.05447	0.7
105.03353	0.5
105.07037	1.9
106.30086	0.4
107.04926	1.2
109.06522	2.2
119.08593	0.5
121.06493	0.8
128.06236	0.7
129.06982	0.7
133.02914	0.5
133.06456	1.1
134.03651	2.0
135.04373	0.8
139.07578	0.5
140.60143	0.4
145.06569	0.7
147.04457	1.1
147.08098	0.5
149.02382	1.3
149.05930	3.0
150.03036	0.6
151.03923	0.8
151.07423	0.5
153.05475	1.3
157.06508	0.8
159.04500	0.7
161.02335	1.1
161.05966	1.4
162.03128	12.8
163.04025	0.6
164.04691	1.2
174.06694	0.8
175.03847	0.5
175.07478	1.1
177.05470	28.4
178.05760	0.5
179.03386	1.7
179.06978	0.8
185.05981	1.2
189.05426	3.2
197.05920	0.7
200.04718	0.6
201.05469	1.4
202.02638	1.3
203.03430	1.0
203.07043	3.3
203.14365	0.5
205.04970	0.9
209.05981	0.6
213.05409	1.0
213.08989	1.1
216.04121	0.5
217.05011	5.4
225.05603	0.6
225.08945	0.5
231.06523	1.7
233.09688	0.6
234.68867	0.5
235.07585	0.8
237.05565	0.7
239.07014	1.3
245.04495	2.1
249.07658	0.6
253.08681	0.7
261.09180	0.7
263.07037	1.0
264.07837	0.9
265.08524	1.0
266.06033	0.6
267.06543	1.5
279.06564	0.7
279.10138	0.9
281.04684	1.1
281.08157	1.7
282.08612	0.6
283.06363	0.5
283.09796	0.7
287.05746	0.5
289.08655	0.7
291.06616	1.2
292.07306	3.8
293.04651	0.7
293.08008	1.1
293.11346	0.6
295.05994	0.9
297.07648	0.8
305.07977	0.6
306.08926	0.5
307.09473	2.5
309.04160	1.1
309.07526	6.1
317.07996	0.9
319.06012	1.2
320.06781	1.0
321.07590	1.2
321.11298	0.5
323.05817	0.7
323.09335	0.8
324.06168	0.6
325.10648	0.9
333.07541	0.7
334.08487	1.6
335.09164	8.7
337.07065	15.3
339.12323	1.0
347.05505	1.0
348.06219	1.3
349.07129	0.7
349.10712	4.3
351.08618	0.6
352.09384	6.5
363.08594	3.9
364.09186	0.6
367.11780	88.9
368.12183	3.0
377.10083	0.6
380.08716	1.1
395.15048	100.0
396.15228	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	395.1128
Annotation	Chinensinaphthol methyl ether
Peak:m/z	Relative Intensity
54.27832	0.2
54.57193	0.3
55.05483	0.3
64.15179	0.3
67.05497	0.3
71.05003	0.4
73.89523	0.3
77.64642	0.3
80.18875	0.3
81.07046	0.4
83.04977	0.8
91.05462	0.5
91.46043	0.3
93.07033	0.3
95.01314	0.3
95.08626	0.4
105.03386	0.5
105.07035	0.6
115.05444	0.4
119.08600	0.6
121.02892	0.3
129.06978	0.5
133.02806	0.6
134.03691	0.3
135.04414	0.3
145.02875	0.5
145.06534	0.3
147.04405	0.6
147.08028	0.3
149.02353	0.6
152.06204	0.4
153.06938	0.4
155.04935	0.4
157.06471	0.6
161.05946	0.8
162.03110	1.2
171.04497	0.3
171.08186	0.4
177.05478	4.2
181.06447	1.3
185.06018	0.7
187.03900	1.6
189.05463	0.7
189.06989	0.5
190.07744	0.8
191.08583	0.4
195.04520	0.4
196.05212	0.5
196.91164	0.3
197.06055	0.7
199.04012	0.4
200.04567	0.4
201.05455	0.5
202.07788	0.8
203.08638	0.4
205.04929	0.5
209.05992	2.9
210.06610	0.4
211.03874	0.4
213.05394	0.4
215.08549	0.9
218.07341	1.6
219.08057	1.2
221.05977	0.9
222.06630	0.5
223.07562	0.7
224.04729	1.5
225.05469	2.1
227.03194	1.0
231.08176	0.4
232.08929	0.6
233.09572	1.1
234.06573	0.3
235.07640	0.6
236.08325	0.6
237.05476	9.1
237.09088	0.5
238.06244	0.9
239.03442	0.4
239.07114	0.4
243.08078	0.5
246.06746	1.0
247.07564	0.8
249.05447	3.4
249.09363	0.3
250.06227	0.4
251.03358	2.1
251.07144	1.8
251.10689	0.6
252.04214	3.9
253.04951	2.8
259.07593	0.4
260.08380	0.9
261.05560	0.4
261.06332	0.5
261.09125	4.4
263.03326	0.4
263.07077	0.8
264.07761	0.6
265.04974	13.5
265.08444	1.0
266.05569	1.8
267.06375	0.4
271.07526	0.7
272.08310	0.4
273.05716	0.3
273.08966	0.7
274.06287	1.5
275.06982	1.2
276.07776	2.5
277.04980	5.7
277.08502	1.2
278.05548	0.3
279.06937	0.6
279.10123	4.4
281.04562	0.6
281.07996	0.4
282.08884	0.7
287.06851	0.6
288.07831	1.1
289.05447	0.4
289.08572	6.8
290.09164	0.6
291.06537	0.9
293.04459	2.0
293.08078	2.9
294.05148	0.6
295.05911	0.4
295.09622	0.7
297.07477	0.7
300.07755	0.4
301.08539	0.4
302.05679	0.6
303.06497	1.0
304.07248	1.0
305.04803	0.6
305.07913	2.5
306.05322	0.6
306.08752	0.9
307.06351	0.4
307.09628	11.5
308.10022	0.5
309.07486	0.9
317.08093	7.8
318.08597	0.6
319.06073	0.4
321.07593	3.2
324.09738	0.4
325.10602	0.6
331.05933	0.4
332.06833	3.6
333.07550	4.2
334.08185	1.0
335.09143	51.9
336.09525	1.4
345.07550	1.2
349.07040	0.8
349.10754	1.0
362.07745	0.5
363.08630	19.0
364.09372	5.4
367.11636	2.5
377.10187	1.0
380.08875	1.5
395.11246	100.0
396.11600	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	395.113
Annotation	Justicidin C
Peak:m/z	Relative Intensity
55.01858	1.2
55.05503	1.4
56.77324	0.6
59.04986	1.9
67.05508	2.1
68.99790	0.9
69.03432	1.3
69.07071	1.2
70.09271	2.9
71.04986	0.8
79.05501	1.9
81.03397	1.0
81.07056	2.7
83.04979	1.8
85.02887	0.8
89.20149	0.6
91.05460	2.6
93.07050	2.3
95.04984	1.1
95.08608	2.4
97.02918	0.8
97.06550	1.3
98.97575	1.4
103.05428	1.5
105.03417	0.8
105.07027	3.1
105.09914	0.7
107.04964	2.6
107.08592	2.5
109.06503	0.8
113.41313	0.7
115.05454	0.8
117.07005	1.1
119.08572	1.6
121.06519	1.0
121.10130	1.4
124.05232	1.1
125.84277	0.7
127.03958	0.9
128.06227	1.8
129.06998	3.2
131.08575	1.2
133.02864	1.2
133.06512	1.5
133.10114	1.7
134.03642	1.7
135.04384	1.3
135.11697	0.9
139.07549	1.9
141.06969	1.4
143.08562	0.9
145.06479	1.0
145.10146	2.0
147.04433	1.0
147.08069	1.7
147.11676	0.8
149.02319	2.0
151.03915	0.8
151.07568	1.8
153.05518	1.4
153.06969	1.3
157.06491	2.6
159.11723	1.6
161.06015	1.6
161.09581	1.2
161.13316	0.8
162.03133	6.4
163.03899	0.9
163.11250	0.8
164.04678	1.9
167.06993	0.7
169.06517	1.1
170.07092	0.7
171.04413	0.9
173.06029	1.1
173.09712	0.7
173.13214	1.1
175.07581	1.7
175.14793	0.8
177.05489	20.6
179.03392	1.4
179.07033	2.6
181.06444	2.0
183.04405	1.0
185.05943	3.6
187.03944	2.5
187.07526	1.0
187.11258	1.2
187.15021	0.7
189.09120	1.2
190.07817	1.5
191.03432	1.5
191.07033	3.1
192.07825	4.6
193.04965	0.9
195.08034	2.1
197.06010	1.0
198.06805	2.5
200.04666	1.2
201.05450	2.4
203.07065	4.8
205.10207	1.6
205.12132	1.1
207.08092	0.8
209.06003	2.1
209.09552	0.9
211.07506	1.2
213.05505	3.5
213.09128	6.5
215.06996	1.4
215.10678	0.9
218.07350	1.1
219.06378	1.4
219.08232	1.1
221.06052	1.4
224.04700	1.3
225.05495	1.6
233.09583	2.6
233.69160	0.7
235.07581	1.0
237.05443	4.3
237.09042	1.0
238.06294	0.8
239.07068	1.0
240.36388	0.7
241.05032	1.5
241.08641	2.4
243.06557	2.5
247.07568	1.5
249.05475	2.7
249.09268	1.2
250.06108	1.0
252.04135	1.4
253.04948	1.7
253.08586	0.9
254.05566	1.1
260.08365	1.6
261.09219	3.5
263.07004	1.7
264.07651	1.2
265.04901	4.6
265.08725	0.7
266.05582	0.8
267.06445	1.4
269.04514	2.4
271.07684	0.9
277.04993	4.5
277.08264	0.7
278.09381	1.5
279.10202	2.1
281.08099	1.6
282.05191	2.5
282.08636	0.7
283.06039	1.7
284.06750	1.4
285.07480	0.8
288.07813	1.8
289.08688	4.6
291.06497	2.4
292.07129	0.9
293.04639	1.2
293.08109	2.1
294.05237	1.8
295.05966	2.2
297.04181	1.4
297.07559	13.6
303.06549	1.1
305.08105	2.4
306.08859	3.1
307.09705	5.0
309.07623	5.1
316.07230	0.7
317.08118	5.0
319.06027	1.5
321.07468	2.9
321.11243	4.0
323.09088	0.8
324.10019	2.2
331.09692	1.3
333.07513	2.5
334.08466	4.6
335.09161	19.5
336.09842	1.1
337.07071	2.3
339.12332	7.8
345.07306	0.9
348.80731	0.8
349.06961	0.7
349.10754	9.3
352.09393	1.3
353.10602	0.8
363.08679	6.6
364.09293	1.1
365.10373	1.3
367.11777	100.0
368.11957	3.0
380.08716	1.7
395.11130	56.6
395.15015	4.9
395.24066	4.4
395.29373	1.5
396.11380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1126
Annotation	Chinensinaphthol methyl ether
Peak:m/z	Relative Intensity
79.05488	1.7
81.07062	1.9
81.34083	1.1
83.04955	2.3
83.73618	1.1
87.95710	0.9
90.58884	1.1
91.05461	1.8
93.07018	1.8
95.04957	1.7
98.65687	1.1
101.96331	1.2
102.92846	1.3
105.07031	2.3
107.04923	2.8
107.08598	1.5
108.28411	1.0
109.10143	1.2
109.68046	1.1
109.74566	1.0
117.06987	1.4
121.06478	2.1
127.29298	1.1
128.06207	1.1
129.07043	1.6
133.10182	1.2
134.99469	1.1
139.03888	1.6
139.07501	2.2
147.04346	1.5
147.08031	2.2
151.07578	6.7
161.02315	2.4
161.05989	2.7
165.05554	1.2
167.07016	2.6
173.06012	1.3
175.01506	2.3
177.05455	2.7
179.07053	14.6
185.05957	1.7
189.05357	1.2
189.07001	2.7
189.08873	1.4
190.07863	1.3
191.06967	5.5
191.08539	3.5
192.07843	7.7
195.08032	4.4
198.06709	2.9
202.07785	4.2
203.06999	11.1
205.06482	2.1
207.08170	1.1
213.09140	8.7
219.08025	4.4
220.08841	1.5
221.05908	1.4
223.07468	1.3
231.08058	2.0
232.05156	2.4
233.05916	1.8
235.07478	2.4
236.08162	2.5
241.08603	3.2
246.06827	2.2
247.07578	5.8
248.08194	2.3
250.06096	1.5
251.07071	2.4
253.04927	1.8
259.07544	3.0
260.04758	2.6
261.01831	2.1
261.05420	7.8
263.06989	2.9
263.10559	1.3
264.07755	4.0
265.05032	1.1
274.06241	1.8
275.07068	10.2
276.07855	2.2
277.05023	6.9
277.07913	1.3
279.06592	3.1
279.10010	2.6
285.05383	1.5
287.07019	13.0
288.04166	1.9
288.07611	1.6
289.04868	2.3
289.08514	3.1
291.06439	3.2
291.10153	2.7
292.07239	4.1
293.07962	10.2
302.05716	2.6
303.06619	11.3
304.07648	1.1
305.04510	16.1
305.07852	2.0
306.05032	3.0
307.09558	4.6
311.08939	1.7
313.04904	3.7
316.03738	4.7
317.08011	4.7
318.08990	1.4
319.05930	2.5
320.06769	3.7
321.07605	9.7
331.05759	3.5
333.03726	3.4
335.09106	10.8
341.05075	1.4
345.07617	8.9
348.06281	31.6
349.06830	4.7
349.10709	2.3
363.08624	83.2
364.09061	3.0
365.10168	4.6
367.11469	1.7
367.15445	1.5
377.09808	4.0
395.11084	100.0
395.14896	8.4
396.11240	2.6
413.10886	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	395.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76392	3.9
62.63475	4.3
65.88155	4.0
70.34649	13.0
89.83366	4.8
98.97623	4.9
112.84183	4.7
122.81779	4.6
231.05296	5.3
395.09393	100.0
396.10080	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	395.1125
Annotation	Chinensinaphthol methyl ether
Peak:m/z	Relative Intensity
53.03936	1.2
55.05507	1.8
56.96574	5.1
57.03428	2.3
63.44954	1.1
67.05501	2.5
69.03431	0.9
69.07065	2.3
71.56025	1.6
73.46778	1.0
77.80880	1.0
78.59921	1.0
79.05487	3.0
81.03447	1.0
81.07058	4.4
91.05484	18.7
92.05811	8.4
93.07032	3.1
95.04981	2.3
95.08611	3.2
98.97585	2.0
103.05452	1.0
105.07022	3.7
107.05012	2.7
107.08609	2.3
109.02854	1.0
109.06548	3.7
109.10136	2.0
117.07030	1.4
119.04928	1.2
119.08586	1.7
121.06483	1.8
121.10153	3.3
123.11694	2.0
124.05186	1.9
125.05927	1.0
129.06989	2.8
133.10144	1.4
135.04433	3.1
135.11617	1.1
137.05981	1.2
139.07536	5.3
141.07053	1.2
143.08623	1.5
147.04427	3.7
147.08038	3.2
149.01250	1.2
149.02353	2.9
151.07545	4.9
152.93004	1.2
154.31602	1.2
159.04504	1.6
159.11667	1.5
159.76103	1.0
161.02345	2.7
161.06001	2.9
162.06723	2.0
163.03880	3.1
165.05559	1.3
167.03400	1.2
167.07021	3.5
171.07982	1.9
173.05937	1.2
175.03946	2.2
176.12816	3.6
177.05565	6.3
177.13095	1.4
179.07024	6.5
179.08427	1.8
180.09004	1.1
184.05200	1.4
185.06000	3.9
187.04016	7.1
189.09140	3.2
191.03452	1.3
191.06992	10.0
192.07811	11.5
193.04982	2.8
195.08038	4.6
198.06808	2.8
201.05533	1.3
203.07053	16.4
205.04971	1.4
213.05525	2.9
213.09100	19.5
213.10986	1.8
219.02876	2.0
219.06506	5.8
227.03149	3.9
231.08162	1.3
235.07637	1.7
237.05638	1.9
241.08670	3.5
243.08110	1.4
246.06911	1.3
247.07623	1.6
249.05525	2.1
250.06285	2.1
250.09937	1.1
251.06940	2.1
253.08641	3.9
254.08943	8.4
255.09209	9.4
260.08426	1.4
261.05609	1.2
261.09027	3.3
263.07111	6.7
264.04181	3.4
264.07703	1.7
265.05072	2.5
265.08673	1.8
267.06436	1.5
269.04269	1.3
274.06451	1.8
275.06876	2.5
277.04913	4.2
277.08475	1.9
279.06531	5.6
279.10150	3.0
280.07178	2.1
281.04309	1.2
288.07895	1.3
289.08569	1.9
291.06540	6.6
291.09903	2.2
292.07278	1.6
293.04684	1.7
293.08105	3.7
293.11563	1.1
295.06213	2.1
295.09604	3.4
297.07504	1.5
303.06491	1.7
303.10062	1.7
304.07388	1.6
305.07974	2.8
306.08862	2.6
307.06018	5.6
307.09680	3.5
308.06757	3.1
309.07550	2.8
311.09039	1.4
316.07272	1.9
317.08142	2.9
319.06039	4.7
319.09497	1.9
321.07800	1.9
321.11230	4.1
325.07144	1.3
327.06470	1.5
330.05261	1.8
331.09540	3.1
332.06946	1.4
333.07547	2.1
334.08456	2.4
335.05417	2.8
335.09137	11.7
335.12735	1.9
337.06778	2.0
337.10593	1.2
339.08630	2.1
339.12119	1.5
345.07593	17.3
346.07874	1.2
347.05557	2.7
348.06354	1.9
349.06952	1.8
349.10718	18.9
350.07880	4.1
351.08530	1.3
351.12210	2.5
363.08572	11.8
363.12512	2.6
365.10205	17.6
365.14224	0.8
367.11368	6.7
367.15393	3.4
377.10144	14.8
377.14084	1.5
377.20193	3.6
380.08850	1.4
395.11191	100.0
395.15100	28.1
395.21411	9.9
395.27701	19.2
396.11362	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	394.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07878	1.2
63.74434	1.3
69.07057	2.2
70.10386	4.6
70.10761	2.5
79.05489	1.7
81.07043	6.7
83.08601	1.4
85.96007	1.4
89.06028	4.7
89.36215	1.2
90.37342	1.2
91.05463	4.6
93.07060	2.6
95.08602	3.0
97.41745	1.3
98.20802	1.7
105.07038	3.0
107.08569	3.0
109.10159	1.9
119.08551	2.6
121.10137	2.7
133.08618	1.7
133.10118	3.1
135.31950	1.2
137.05980	9.1
145.10139	2.4
147.11653	1.5
151.07578	1.5
159.11731	1.5
175.07567	100.0
176.08154	1.2
177.05519	1.7
191.07050	3.1
192.07729	4.2
195.12251	5.8
201.09033	2.6
213.09187	2.7
215.10689	9.6
217.12337	1.5
241.12299	3.1
243.13841	1.8
247.92006	1.3
252.07388	2.9
257.15363	2.3
257.22729	2.3
270.08322	1.8
325.21854	1.6
362.11169	1.3
366.14273	6.3
379.26007	1.9
394.13693	6.9
394.20804	1.5
394.28409	5.3
394.35101	1.3
395.14993	4.4
413.32639	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	0.7
55.06318	0.6
57.81083	0.6
65.03951	1.7
67.05472	1.1
69.07085	1.0
69.71655	3.9
79.05489	0.8
81.07045	2.0
83.01343	1.8
91.05492	100.0
92.05822	39.1
93.07061	1.0
103.05466	1.0
105.03442	0.9
105.07066	3.0
106.07392	1.3
107.08608	1.4
109.10170	1.7
110.10498	1.0
123.11716	2.0
124.12035	1.4
135.04425	1.0
135.11711	0.9
136.12057	1.4
141.06993	1.0
142.07317	0.9
143.08441	0.8
144.08893	0.9
144.14328	0.6
147.04431	1.9
148.04753	1.3
149.02368	1.2
150.02667	0.7
155.08395	0.8
156.08957	0.7
159.07941	0.7
161.05997	1.0
163.03813	0.7
164.04242	1.1
166.07584	1.1
171.08041	0.7
175.03937	11.9
176.04282	7.1
178.07753	0.9
179.08511	4.3
180.08862	5.0
181.06528	0.7
187.07523	1.2
188.07819	1.1
189.05458	1.1
189.09015	0.7
190.05865	1.1
191.07042	1.1
192.07350	1.0
193.04915	1.1
197.09586	1.7
198.09998	1.1
199.07607	1.5
200.07956	2.2
203.06958	0.8
207.08022	1.7
208.08452	2.8
210.06566	0.9
211.07462	2.9
212.07909	2.3
215.07050	1.5
216.07437	1.6
225.09132	5.5
226.09482	7.1
227.10666	1.5
228.11066	2.0
230.08987	1.0
235.07597	3.8
236.07881	6.3
241.08525	0.9
242.09023	0.9
252.07327	0.9
253.08636	49.4
254.08971	91.0
255.09541	1.5
256.10547	2.5
267.13937	0.9
268.10565	1.3
268.14215	2.1
271.09476	1.5
272.09933	2.5
292.10718	0.7
293.11700	2.5
294.12112	7.8
308.13702	1.8
311.12811	2.4
312.13153	7.2
320.13620	1.2
329.13815	1.6
330.14240	6.0
334.11780	1.4
336.09683	0.8
365.13617	0.7
366.14230	10.5
376.15152	1.4
376.19955	28.6
377.20212	0.7
394.13846	4.7
394.21008	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	394.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
55.05506	2.2
55.63809	1.4
56.68460	1.4
61.02894	2.3
63.58388	1.6
67.05489	2.7
69.03432	3.7
70.06585	5.7
71.04969	1.5
71.55570	2.8
72.08160	14.8
79.05502	3.4
81.03415	4.3
81.07056	13.8
84.04510	2.3
85.02908	5.6
86.09723	2.6
91.05439	1.8
93.07063	2.2
95.04971	2.2
95.08646	1.7
98.97616	2.2
99.04485	2.1
102.05546	3.6
105.07063	1.6
107.08555	2.4
109.02857	1.9
109.06544	9.4
119.08601	2.6
120.08112	16.7
121.06437	2.0
125.06010	7.2
127.03929	6.4
133.10170	3.9
137.05991	100.0
137.09633	3.1
138.06371	2.1
138.09132	1.9
143.08524	2.4
146.05992	2.2
151.11214	2.1
161.09612	5.7
166.08664	3.9
179.10684	47.3
196.16982	1.8
197.11745	57.6
201.12357	4.1
215.12679	2.1
309.57144	1.7
394.14862	2.4
394.21286	2.5
410.10251	1.7
411.28384	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	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15120	3.3
53.03938	10.8
55.01873	9.3
55.05501	11.7
57.03432	7.5
61.02925	6.9
61.42289	3.5
67.05513	7.0
69.03432	51.7
69.06721	4.8
69.07070	74.4
71.04977	9.5
71.37926	3.9
73.02923	4.7
80.64633	4.4
81.03419	35.3
81.07061	9.8
85.02910	100.0
85.06551	9.1
87.00833	35.6
91.05480	5.5
93.07027	8.6
95.05020	4.7
95.08614	7.0
97.02905	34.3
98.97568	5.2
99.04449	12.4
101.11335	3.9
105.01875	34.7
105.07032	9.9
107.08555	7.1
109.02869	29.3
109.10144	4.7
111.04465	3.6
111.08081	15.8
111.11732	20.3
115.03912	4.9
115.13831	4.8
119.08566	6.6
121.06493	3.5
121.10183	5.2
123.04530	4.9
123.11689	6.0
127.03937	66.9
127.11167	7.0
129.01793	4.8
129.12756	14.2
130.92316	3.7
133.10132	7.0
135.11734	4.3
139.07526	8.8
141.12723	6.3
145.04980	24.5
151.11183	6.3
159.02878	15.9
159.11571	4.4
161.09543	6.1
163.11151	4.3
169.12181	5.8
177.12798	5.5
179.10660	7.6
201.12784	5.4
219.13823	8.8
231.04970	11.7
237.14789	13.1
297.16971	8.0
322.61700	4.4
323.15012	28.2
341.15909	4.1
360.65646	4.5
394.14059	4.4
394.18588	4.4
394.26199	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	393.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	43.8
57.07089	22.4
67.05512	19.9
69.07069	41.6
69.92951	8.6
69.93369	12.7
71.08633	11.2
79.05492	17.8
81.06633	7.0
81.07069	62.1
83.08627	85.4
85.10143	4.2
91.05488	44.2
93.07037	21.8
94.81618	4.1
95.08624	23.9
97.10169	12.0
105.07067	24.8
107.08605	30.8
109.10165	20.7
117.07013	9.3
119.08610	15.6
120.40568	4.0
121.10162	11.3
123.11697	8.6
126.41600	4.4
131.08607	11.7
133.10135	17.7
135.11699	6.4
141.07010	4.7
142.07767	6.3
143.08516	7.9
145.10159	20.4
147.04420	10.2
147.11720	17.2
157.10107	23.6
159.11749	16.2
171.11806	6.5
173.13171	7.1
175.03918	5.3
183.11723	6.6
185.13268	5.5
187.07602	5.4
191.07021	25.0
197.05908	4.1
197.13272	4.7
199.14842	11.2
201.16368	6.6
215.17792	4.9
225.16409	6.3
251.07018	14.9
253.08621	19.7
253.19461	9.8
257.08014	6.3
276.07813	5.6
293.07977	6.2
295.24219	14.6
303.06635	10.9
309.11066	6.2
309.25717	8.0
319.09714	8.5
321.10907	5.0
333.11234	13.6
335.09106	12.9
347.09009	13.0
350.11423	4.6
361.10727	24.7
362.11047	7.0
365.13879	100.0
366.14307	4.7
375.19492	8.5
393.13409	82.2
393.20016	7.3
393.35217	62.8
394.13449	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01864	2.1
55.05515	9.9
57.07063	5.0
58.40932	1.5
65.03941	3.9
67.05507	14.2
69.03427	2.3
69.07074	13.5
69.34040	15.9
79.05498	22.7
81.03427	2.0
81.07061	45.3
82.53813	1.6
83.08624	6.0
85.06531	3.2
91.05489	56.9
93.07049	46.2
95.04979	28.1
95.08608	26.5
95.88263	1.6
97.06522	6.1
103.05482	4.4
105.04513	2.1
105.06378	3.6
105.07043	49.4
107.04967	6.9
107.08595	33.3
109.06537	11.2
109.10177	13.8
115.05444	4.1
116.06290	1.9
117.07024	10.6
119.08585	50.3
121.06512	10.6
121.10150	21.2
123.08060	3.1
123.11725	7.6
128.06204	5.3
129.07016	13.0
130.07785	4.1
131.08560	22.7
133.10143	27.8
133.95653	1.7
135.08025	3.4
135.11722	15.4
137.09633	2.7
139.11165	2.0
141.07007	7.8
142.07805	12.0
143.08546	16.7
144.09329	6.4
145.06499	2.9
145.10132	34.6
147.04396	6.6
147.08096	2.9
147.11713	13.7
147.12717	2.5
149.02315	8.6
154.07727	2.4
155.08546	7.7
156.09364	4.3
157.06543	2.6
157.10136	25.6
158.10820	2.1
159.08076	3.5
159.11702	23.5
161.09660	10.7
161.13269	3.7
163.11191	2.5
165.07031	2.1
167.03407	6.3
167.07158	2.9
167.08575	5.2
169.10104	10.8
170.10861	2.4
171.11711	13.2
173.05988	3.5
173.09723	2.0
173.13264	13.0
175.03917	8.9
175.11203	6.3
175.14801	7.3
178.06361	2.0
179.07109	2.1
179.08548	6.9
181.10124	4.8
182.10860	3.7
183.11694	10.7
184.12407	2.1
185.06165	2.4
185.13290	6.2
187.07472	2.3
187.11224	5.1
187.14796	7.8
191.07033	20.2
193.10211	4.1
194.10893	3.4
195.11636	6.0
196.12500	2.7
197.05980	3.2
197.13217	8.1
199.14825	4.9
201.12837	2.0
201.16399	3.7
203.06982	3.1
209.13271	7.4
211.07567	6.5
211.14813	4.6
213.16168	2.1
221.13286	4.1
223.07541	3.1
223.14795	3.6
225.09116	2.7
225.12723	1.7
225.16484	2.1
229.08580	5.1
235.07568	3.6
235.14894	5.1
239.14195	2.2
251.07071	19.4
253.08597	30.5
257.08075	12.3
263.06937	2.1
265.19485	3.2
269.08130	8.2
275.07034	2.8
281.19049	1.8
291.10193	3.9
293.07974	5.3
293.11551	2.1
303.06537	7.9
307.06201	2.3
307.09467	3.5
309.11002	2.9
313.14163	4.7
315.10132	2.5
318.08896	3.6
319.09476	5.0
319.13129	1.8
321.11087	3.3
331.09781	3.2
333.11328	9.9
335.09222	10.5
346.08289	2.9
347.09042	6.1
347.12949	4.1
349.10623	3.8
350.11526	4.7
361.10718	11.0
362.11478	2.5
363.08444	2.3
363.12521	2.0
365.13858	100.0
366.13693	2.0
375.19406	7.3
375.26636	3.6
393.13284	53.5
393.20517	27.9
393.27902	7.5
394.13736	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	393.2064
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
55.01887	1.7
55.05502	2.2
57.07111	1.6
67.05508	2.7
69.03461	1.4
69.07057	4.5
69.31467	1.1
70.92084	1.5
70.92400	1.7
77.22443	1.1
77.89632	1.1
79.05494	3.0
81.07041	5.2
91.05486	31.5
93.07033	2.2
95.08613	2.6
105.07054	2.3
107.08560	2.2
109.10169	2.6
111.11745	1.2
111.15009	1.5
121.10112	2.1
123.11707	3.3
141.07037	2.8
147.04398	2.0
152.06219	3.1
159.04483	1.4
162.03026	1.2
165.07039	2.7
167.03398	2.0
167.08611	6.9
173.06003	2.1
175.03934	6.5
176.04630	1.6
177.07100	1.7
178.07733	1.8
179.08574	3.2
187.03873	1.1
187.07465	1.1
189.09091	1.7
191.06998	8.6
192.07744	1.2
195.08031	4.8
197.06021	10.8
201.05362	1.2
207.08118	2.7
211.07419	2.0
221.58629	1.4
223.07541	8.3
225.09077	3.8
235.07619	5.8
237.09126	1.4
251.07056	100.0
252.07303	1.6
253.05878	2.1
253.08623	39.4
265.08545	3.7
269.08130	22.3
271.09509	1.7
275.06979	1.6
276.07758	1.3
283.09479	1.7
291.10126	2.7
294.08917	1.4
303.06500	3.3
305.11743	1.7
309.11255	1.5
318.09021	1.8
319.09634	2.5
319.13028	1.2
333.11191	5.0
335.09164	3.0
347.09103	2.9
347.12939	1.5
361.10681	6.7
365.13879	33.7
375.19571	18.3
393.13379	24.6
393.20645	12.0
393.29239	4.0
393.34872	2.0
394.13751	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2062
Annotation	2(S)-6-Carboxy-7-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
51.90360	0.7
55.05510	1.6
56.96847	0.6
59.93452	0.6
65.03940	1.5
67.05497	2.4
69.03430	0.7
69.07058	2.7
70.81435	1.0
70.81755	1.0
72.58653	0.6
81.07049	2.9
83.01349	1.5
83.42999	0.6
87.35320	0.6
91.05485	83.4
92.05833	1.2
93.07042	1.0
95.08597	1.5
97.06546	0.8
103.05492	1.1
105.03365	1.2
105.07013	1.5
107.04966	1.7
107.08595	1.3
109.10172	4.7
119.04926	0.9
123.11714	3.5
135.04460	1.7
135.11696	1.4
141.07001	2.7
143.08519	0.8
147.04434	4.3
153.07034	0.7
155.08589	0.7
157.06500	1.3
163.03944	3.1
164.91299	0.6
165.05536	0.9
165.07011	1.0
166.07715	0.7
167.08522	0.7
169.06432	0.8
169.10074	1.0
171.08060	1.3
173.05971	0.8
175.03899	15.8
176.04672	0.9
178.06291	0.6
178.07817	1.9
179.08589	6.4
181.06569	0.9
183.08093	0.8
187.03923	1.4
189.05507	1.2
191.07010	6.5
193.04982	0.8
195.08080	1.1
197.05902	1.0
197.09651	2.0
199.07573	3.3
203.07092	0.8
207.08067	3.5
210.06815	2.1
211.07523	3.2
224.08290	0.8
225.09116	9.2
227.10692	0.8
235.07549	8.5
241.08746	3.3
251.06892	1.3
252.07487	1.0
253.08611	100.0
254.09084	1.4
265.08487	1.3
267.10132	1.3
271.09720	2.0
277.08530	1.2
291.10193	1.2
293.11496	0.9
307.09686	1.1
307.13205	2.3
319.13278	2.6
321.11334	0.9
321.51193	0.7
333.11124	1.8
335.09134	2.8
337.14432	1.2
347.09137	1.4
347.12900	1.3
349.10660	1.4
361.10724	1.4
365.13846	28.4
366.13867	1.2
375.19565	14.8
393.13306	9.9
393.20578	48.3
394.20764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2063
Annotation	3-Geranyloxyemodin anthrone
Peak:m/z	Relative Intensity
55.05510	1.3
57.07062	1.0
60.27681	0.9
61.77441	0.9
63.23886	1.0
65.03938	1.0
67.05502	2.6
68.47050	0.9
69.07072	6.9
69.62708	1.0
69.93301	2.1
69.93716	2.8
77.03909	1.0
79.05489	8.0
81.07047	4.4
91.05489	28.7
91.06063	1.6
93.07054	16.2
95.04930	1.6
95.08597	1.8
105.07030	3.8
105.58040	1.0
107.08601	18.3
109.06507	1.7
109.10181	1.4
115.05469	1.1
117.07017	1.8
121.06537	1.0
121.10185	2.4
123.11719	1.6
128.06207	1.4
129.07048	2.3
131.04947	2.1
131.08556	2.0
133.10120	2.9
135.08102	1.1
135.11705	21.6
137.05995	2.9
141.06941	1.0
143.31491	1.0
145.10098	1.8
147.04381	4.7
147.07967	1.1
149.02336	3.4
155.08525	3.2
157.06497	1.7
158.07288	3.8
159.04437	1.1
159.08084	2.0
161.05975	4.3
163.03964	1.9
165.06941	1.1
167.03432	2.0
167.07104	1.4
167.08513	1.3
171.08051	1.4
173.05934	1.3
175.03914	9.0
175.07561	1.8
176.04695	2.2
177.05525	1.4
179.07069	1.1
179.08559	2.3
183.08014	3.4
185.06029	2.3
187.03914	3.1
187.14748	1.2
188.78963	1.1
189.09158	1.8
191.07030	10.0
197.06046	2.7
198.06799	1.0
201.05396	1.0
201.09129	1.8
203.07048	11.3
205.04839	1.2
207.08113	1.2
211.07558	30.5
213.05539	1.5
214.06279	3.8
215.07019	1.5
217.12241	4.1
223.07547	1.8
225.09195	1.6
229.08612	37.4
235.07594	3.1
239.07062	12.4
241.08601	1.7
242.05849	5.2
243.06578	3.4
246.10400	1.0
251.07065	17.0
253.08617	25.8
257.08105	100.0
258.08521	1.8
259.09570	1.8
263.10757	1.3
269.08139	5.4
271.09616	3.2
289.08765	1.3
291.10153	2.7
293.07928	1.6
303.06573	4.1
303.09921	1.1
304.07376	1.6
307.06296	1.1
307.09824	1.5
309.11246	2.9
309.14688	1.2
311.12680	3.2
319.09760	1.7
319.13248	1.2
321.11252	2.1
325.14291	2.3
333.11197	4.4
335.09210	5.3
337.14508	3.3
347.09283	2.8
347.19971	2.3
349.10672	2.9
350.11511	1.3
361.10773	5.1
362.11511	1.5
363.08832	1.1
365.13864	46.9
366.14188	2.0
369.81241	1.0
375.19690	9.2
382.95175	1.0
393.08450	2.0
393.13287	30.6
393.20578	64.2
393.27979	2.1
394.13821	1.6
394.21005	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2062
Annotation	2(S)-6-Carboxy-7-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
56.15817	0.8
65.03934	1.5
65.09508	0.8
66.09106	0.7
66.53548	0.9
67.05515	1.2
69.80914	4.9
70.19438	0.9
81.07055	1.6
83.01347	1.2
91.05485	93.2
93.07034	1.4
103.05437	1.2
105.03383	1.1
105.07019	3.4
107.04935	1.4
109.10145	1.0
123.11695	2.6
131.04938	1.1
132.27003	0.9
135.04407	0.9
147.04399	3.9
149.02328	1.9
157.06503	1.2
161.05925	1.3
163.03954	2.1
173.06133	0.9
175.03909	11.8
178.07883	1.4
179.08598	6.7
183.08041	1.1
187.07520	1.0
189.05499	2.0
189.09233	1.0
191.06996	1.6
197.09604	2.9
199.07539	2.3
201.27188	0.8
207.07996	4.1
210.06816	1.3
211.07529	2.5
215.07008	2.7
225.09120	10.8
227.10681	2.3
235.07533	6.6
237.09045	1.2
241.08508	2.0
246.03201	0.8
253.08609	100.0
254.08905	2.7
255.10139	2.0
267.10043	1.0
267.13910	2.7
271.09631	2.3
293.11713	7.0
307.13156	1.5
311.12726	8.4
319.13333	1.5
329.13977	4.3
365.13879	13.3
375.19543	21.2
376.19980	1.5
393.13416	4.8
393.20599	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	393.2063
Annotation	3-Geranyloxyemodin anthrone
Peak:m/z	Relative Intensity
53.03935	3.3
55.05512	2.3
55.82884	1.3
56.83715	1.3
59.11746	1.2
65.49787	1.3
67.05493	3.4
69.07057	3.7
69.41859	9.3
69.92459	1.2
79.05488	9.8
81.07051	5.3
91.05477	22.1
93.07051	97.1
95.04969	2.9
95.08591	1.6
98.21529	2.4
105.07036	8.1
107.08602	62.4
109.10205	2.2
119.06015	1.6
119.08569	4.0
119.33842	1.6
121.06467	1.6
131.04918	1.9
133.10141	2.1
135.11699	82.7
143.08588	1.8
149.02348	2.6
155.08560	3.7
158.07227	2.1
159.08134	1.6
161.05998	2.2
165.01891	6.8
175.03853	2.8
177.22635	1.7
183.08125	3.4
185.05942	1.9
187.03931	2.7
189.12686	1.5
191.14314	5.0
201.09128	1.7
203.07040	23.7
203.41177	1.4
211.07547	17.9
211.09399	1.9
212.59497	1.3
214.06392	3.0
229.08606	32.3
239.07018	10.1
242.05766	4.2
243.06480	6.9
251.07149	1.9
253.08626	3.9
255.10083	1.6
257.08099	65.4
257.93921	1.7
258.08545	2.1
259.09692	3.9
269.08151	6.3
271.09650	28.3
283.09863	1.8
311.12808	3.3
325.14523	3.2
337.14322	3.1
347.20160	8.5
348.01126	1.5
365.13742	3.8
375.19543	8.3
393.20605	100.0
394.21106	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	393.2063
Annotation	3-Geranyloxyemodin anthrone
Peak:m/z	Relative Intensity
53.03949	4.5
55.05509	2.9
65.03935	3.4
67.05514	3.5
67.26653	1.4
69.07069	8.1
69.84469	7.0
74.76366	1.4
77.03922	2.0
79.05502	9.4
81.07056	13.1
91.05490	39.8
91.06067	2.0
93.07053	100.0
95.04946	4.3
95.08604	3.7
98.20788	1.7
105.04567	1.8
105.07037	9.0
107.08602	61.4
109.06506	3.1
109.10151	2.1
119.04939	1.8
119.08601	6.4
121.06532	2.9
123.11746	2.0
129.07042	2.0
131.05019	1.7
131.08592	2.6
133.10138	2.4
135.08110	1.5
135.11703	80.5
137.06007	2.7
141.07024	1.6
145.10144	3.9
147.04399	3.4
149.02350	1.7
155.08597	5.8
158.07320	3.0
159.04491	2.1
159.08087	2.8
161.05972	2.2
167.07161	1.6
173.06026	1.6
173.13246	2.1
175.03842	8.1
183.08139	2.9
184.05261	1.5
185.06009	4.1
187.03973	1.9
187.14798	2.5
189.09143	2.1
190.06380	1.8
191.07011	5.4
191.14320	4.8
199.07477	1.7
201.09100	2.2
203.07024	18.2
205.05008	4.4
211.07549	30.1
214.06305	2.9
225.09334	1.6
229.08603	36.1
233.43230	1.7
239.07040	11.2
242.05722	3.0
243.06534	4.2
251.07043	6.8
253.08618	12.9
255.10286	1.9
257.08115	53.8
258.08746	1.8
259.09686	11.7
269.08130	4.4
271.09692	18.6
303.06711	1.9
311.12756	3.0
325.14374	4.8
333.11188	2.1
335.09174	2.1
337.14261	3.3
347.09064	2.5
347.20068	7.6
361.10760	2.5
365.13843	19.9
375.19492	13.3
393.13342	15.1
393.20612	81.5
393.28223	3.4
394.20898	2.5
412.61179	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	393.2063
Annotation	2(S)-6-Carboxy-7-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
53.86167	0.8
55.05514	1.0
65.03944	2.7
66.18607	1.0
67.05492	1.4
69.07088	4.7
69.82522	4.6
69.82803	1.0
79.05497	1.0
79.96861	0.9
81.07064	2.1
82.12418	0.9
83.01361	1.4
91.05488	89.1
93.07042	1.3
104.11746	0.9
105.03410	1.1
105.07043	5.7
107.04972	2.5
107.08621	1.7
109.10163	2.5
123.11729	6.6
135.11693	2.4
138.67679	0.8
147.04387	2.9
157.06453	1.2
163.03935	1.9
175.03922	14.9
178.07796	2.0
179.08516	6.4
180.40332	1.1
182.07217	1.0
187.03931	2.1
191.07048	2.6
191.56468	0.9
196.78023	0.9
197.09676	2.0
199.07555	3.0
201.09410	0.9
207.08064	3.2
210.06694	1.4
211.07541	1.8
223.07471	1.1
225.09105	7.6
227.10780	1.4
235.07617	6.1
241.08583	2.4
251.07123	1.4
253.08614	100.0
254.09047	1.5
255.09964	1.0
265.08694	2.9
267.10199	1.1
269.08173	2.4
271.09613	2.5
283.09613	0.9
301.01459	1.0
333.11102	1.1
335.09100	0.9
365.13882	11.1
375.19565	57.7
376.19946	2.4
393.13254	7.3
393.20660	11.4
393.25797	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2063
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
50.10331	0.5
55.01866	2.0
64.15944	0.6
68.99789	1.0
69.03428	0.7
69.39925	2.3
69.40344	2.0
79.01866	0.5
81.03434	0.7
91.05489	1.7
92.99765	0.6
93.07057	1.2
93.18634	0.5
99.00808	0.8
105.07006	0.6
107.08600	0.7
118.96097	0.5
123.00803	2.6
135.11626	0.7
137.02341	2.5
141.01840	5.2
149.26276	0.5
149.74657	0.6
151.20456	0.5
165.01851	100.0
166.02133	0.7
175.03958	0.6
183.02913	26.9
211.07588	0.9
227.07054	2.1
251.06900	1.5
253.08485	1.0
257.08093	1.6
269.08109	92.4
270.08453	2.8
283.09750	1.0
300.80548	0.5
361.10785	0.8
362.11765	0.7
365.13745	1.7
393.13351	1.7
393.20767	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	393.2061
Annotation	2(S)-6-Carboxy-7-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
51.63228	0.3
55.01868	0.7
60.36807	0.3
65.03951	1.7
67.05500	1.1
69.07053	0.5
69.57272	0.3
70.58545	1.1
79.05470	0.4
81.07088	1.4
83.01335	1.2
85.66994	0.3
91.05486	96.9
92.05824	0.9
93.07030	0.6
95.08599	0.9
103.05454	0.6
105.03404	0.6
105.07026	0.8
107.08558	0.8
109.02864	0.3
109.10171	2.5
115.05455	0.3
121.10143	0.4
123.11728	4.0
135.04364	0.6
135.11737	0.6
141.07007	1.5
143.08568	1.0
147.04420	2.1
149.02324	0.5
153.07019	0.7
154.07739	0.6
155.08566	0.4
157.06516	1.3
161.05959	0.5
163.03972	1.0
165.07007	0.5
166.07773	0.6
167.03445	0.4
167.08572	0.4
169.10214	0.4
171.08109	0.9
175.03926	14.2
178.07735	1.6
179.08563	6.0
181.06516	1.0
182.07303	0.9
189.05429	0.9
191.07040	0.4
193.04955	0.3
197.05949	0.3
197.09653	2.7
199.07587	2.7
207.08089	4.4
210.06859	2.0
211.07533	2.6
224.08484	0.4
225.09116	7.7
226.09492	0.5
235.07544	7.2
236.07936	0.4
238.06111	0.4
241.08571	0.5
251.07127	0.7
253.08611	100.0
254.08942	2.8
255.10146	1.0
265.08667	0.4
267.10138	0.6
271.09799	1.5
291.10172	0.4
335.09186	0.5
365.13919	2.3
375.19574	13.8
376.19879	0.7
393.20624	48.6
394.21021	2.1
411.21448	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2061
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
51.26704	0.3
53.00307	0.4
55.71930	0.3
57.30706	0.3
65.03946	3.4
69.07079	2.1
70.81959	0.9
81.07065	0.7
91.05499	1.1
93.03420	2.2
95.08662	0.3
119.65288	0.3
121.02873	2.8
121.06531	1.2
131.01300	4.4
147.04430	1.2
149.02356	100.0
150.02643	1.7
163.03891	2.0
167.03415	55.2
168.03783	0.8
175.03932	0.3
189.05380	0.3
191.07086	1.2
217.08620	0.5
231.13774	0.5
251.07063	0.5
253.08618	1.2
269.08118	50.0
270.08609	1.6
273.14828	4.0
283.09656	1.8
303.06522	0.9
305.11768	0.4
309.11386	0.5
319.09653	0.7
325.14377	0.6
333.11078	0.5
335.09149	0.5
337.14441	1.2
354.80029	0.3
361.10754	1.5
365.13974	2.0
380.85007	0.3
393.13409	3.0
393.20633	11.0
394.20816	0.3
397.49280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2061
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
67.05496	0.4
69.07071	2.0
69.70095	1.3
81.07047	1.8
91.05487	1.8
95.08582	0.3
98.20718	0.3
105.03384	0.8
109.10151	0.4
111.11704	0.7
115.05511	0.3
116.84366	0.3
123.11721	1.6
129.07005	0.5
131.04961	0.3
135.93382	0.2
136.59102	0.2
141.07016	1.4
150.84895	0.2
152.06210	2.2
153.06958	0.8
155.04904	0.7
155.08578	0.4
165.07010	2.4
166.07785	0.7
167.08557	6.9
169.06497	0.6
176.06258	0.4
177.06996	2.4
178.07852	0.6
179.08549	0.4
181.06488	0.6
194.07253	0.4
195.08064	4.8
197.05986	8.6
205.06477	1.0
207.08012	0.4
208.05196	0.4
223.07544	9.9
223.09746	0.5
234.06619	0.2
235.07593	2.5
237.09169	0.4
239.06990	0.5
241.08595	0.3
250.06245	0.3
251.07047	100.0
252.07350	1.9
253.08598	2.5
261.08948	0.2
264.07843	0.3
265.08652	3.2
269.08118	16.6
271.84735	0.2
275.10651	0.2
277.08682	0.5
283.09686	1.3
291.10196	0.6
319.09885	0.4
319.13333	0.5
332.14020	0.4
337.14337	0.3
357.18338	0.3
361.10840	0.4
365.13828	1.2
375.19568	12.1
393.13205	1.0
393.20520	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	393.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61543	0.3
64.15182	0.3
68.05010	1.6
69.07060	0.4
69.87762	1.8
70.06574	0.6
70.56831	0.3
79.05488	0.5
81.07051	0.6
85.02867	0.4
93.07030	0.6
95.08570	1.1
107.08557	0.6
109.10166	0.8
116.07172	0.4
121.10121	1.0
124.05080	0.3
130.04996	0.6
140.03401	0.4
149.04582	0.8
161.33467	0.3
166.07254	0.9
172.06061	1.3
177.16368	1.4
201.06543	1.9
202.07219	1.4
203.08067	2.3
204.08792	6.9
215.07983	1.7
216.08812	100.0
217.09450	3.5
218.10374	4.7
225.06465	10.4
226.07195	3.1
227.07999	1.4
228.08876	1.0
229.09482	0.6
230.10384	8.6
240.08815	54.7
241.09560	2.4
242.10336	0.7
246.09898	5.7
255.09848	0.8
258.09924	2.7
268.08411	3.4
272.11472	4.1
283.09399	0.9
300.10922	51.6
301.11224	1.0
311.08813	0.8
315.12122	0.9
333.13177	3.4
343.11496	2.2
361.12686	4.7
365.13831	1.4
375.14209	3.9
393.15179	21.9
394.15384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2059
Annotation	2(S)-6-Carboxy-7-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
51.82373	0.2
55.01867	0.5
65.03934	1.5
70.50157	0.8
71.04990	0.4
75.13455	0.3
81.03351	0.3
81.07056	1.0
83.01355	1.5
91.05482	92.1
92.05833	0.7
93.07057	1.1
103.05476	0.4
105.03409	1.3
105.07037	0.6
106.01701	0.3
107.04996	0.3
107.08615	0.6
108.50939	0.3
109.02946	0.4
109.10148	0.4
117.07052	0.4
119.04948	0.5
121.02905	0.3
123.11707	0.8
129.06963	0.3
135.04362	0.5
135.11693	0.6
140.54008	0.3
141.06982	1.7
143.08577	0.9
147.04427	2.5
149.02388	0.8
151.07671	0.3
153.07013	0.7
153.12735	2.3
154.07796	0.4
155.08562	0.8
157.06505	1.2
161.89186	0.2
163.03879	1.3
165.07011	0.9
167.03409	0.5
167.08607	0.8
169.10117	0.8
171.08051	0.6
175.03912	17.3
178.07768	2.9
179.08565	7.5
181.06522	0.8
182.07259	0.7
183.08058	0.8
191.06972	0.4
193.04964	0.4
195.07875	0.4
197.09613	2.0
199.07529	2.8
207.08051	4.0
209.05965	0.5
210.06755	2.0
211.07541	3.2
215.06958	0.3
223.07425	0.5
225.09106	12.2
229.08415	0.3
235.07558	8.5
237.08939	0.3
241.08611	1.5
251.07010	1.2
253.08604	100.0
254.08934	2.1
255.10159	3.8
267.10162	0.6
271.09714	1.0
279.13751	0.4
329.13760	0.4
335.09009	0.3
365.13797	1.1
365.21115	0.4
375.19537	1.1
393.20605	46.1
394.21008	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	4.0
70.24112	1.5
70.24477	0.8
72.08150	0.4
84.96039	1.7
85.02905	0.8
87.04465	0.5
97.02906	0.9
98.21406	0.6
98.97584	10.9
101.00883	1.1
102.09178	0.4
110.97572	5.5
112.99160	2.7
113.00884	0.8
115.02405	1.1
116.98618	2.6
117.03992	0.7
119.01917	0.6
124.99142	0.7
128.98631	3.7
131.00174	1.2
131.01898	1.5
133.03473	0.9
134.99635	0.5
140.98563	0.6
143.00217	2.1
143.01869	0.8
146.99670	1.1
148.03867	0.9
152.98639	0.7
155.01912	2.7
158.99675	2.0
159.05052	2.3
161.01242	1.5
161.02972	0.9
170.99681	1.6
171.05034	2.6
173.01411	0.6
173.03011	1.4
173.06656	0.6
177.00728	0.5
179.02286	0.4
182.75186	0.4
189.00714	1.3
189.04434	0.5
189.06116	1.3
191.02139	0.5
201.00697	3.9
201.05917	0.9
203.04042	1.4
205.05489	1.3
205.55719	0.5
207.01767	0.5
207.55351	0.6
209.01274	0.5
213.06042	1.0
219.01768	14.0
221.05074	2.4
224.85229	0.5
231.01779	0.7
237.02817	12.7
237.05116	0.8
242.82834	0.5
243.07101	0.7
255.03941	0.8
259.06924	0.5
261.02817	0.7
261.08102	4.0
275.04373	8.2
275.07159	0.6
277.97702	0.4
279.04062	0.6
279.09311	8.0
293.05426	3.3
295.07013	0.5
333.04861	3.0
351.05972	7.3
351.09695	1.0
393.13678	100.0
394.13971	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	393.1334
Annotation	Hookerianin
Peak:m/z	Relative Intensity
53.03944	0.7
54.03452	0.6
55.01897	1.1
55.05522	0.8
56.96564	4.1
57.03429	1.1
65.03962	1.0
67.05518	1.4
68.85592	0.7
68.99767	0.8
69.03416	1.7
69.07076	1.0
70.92181	1.7
71.04996	4.2
79.05501	1.6
81.03422	0.8
81.07070	1.9
83.04973	0.8
84.96055	1.5
85.02914	4.7
87.59578	0.6
91.05485	2.5
93.07024	1.5
95.04974	1.3
95.08611	0.8
97.02909	2.0
97.06548	0.9
98.97594	4.7
105.03369	0.8
105.07042	1.2
107.04976	2.3
107.08605	2.0
110.97581	1.4
115.05478	1.4
116.98610	1.2
117.07019	1.0
119.04968	1.1
119.08611	1.6
121.06522	1.6
121.10168	0.7
124.99107	1.1
128.98640	1.5
129.05408	0.8
129.06992	1.2
130.76003	0.6
131.08553	1.6
133.02855	1.0
133.10191	0.8
133.68536	0.6
135.04416	2.1
139.07570	0.9
141.06871	0.6
143.00200	2.3
145.06450	1.6
145.10179	0.8
147.04419	9.0
147.08078	0.7
148.05173	1.0
149.02351	1.5
149.05922	1.0
151.07582	2.4
155.08562	1.0
159.04437	2.1
159.08049	1.6
161.01208	2.0
161.02367	1.0
161.06017	2.2
162.03146	1.1
163.03928	2.8
167.03447	1.0
167.07051	0.7
171.08070	1.2
173.06013	4.4
175.03889	2.0
176.04681	2.0
177.05492	2.1
178.06242	1.9
179.07097	3.3
181.06514	1.1
183.08032	1.1
185.06052	1.1
187.03976	3.6
187.07594	2.5
191.07036	28.1
192.07848	3.9
193.05006	2.0
195.08032	1.5
197.05997	1.1
198.06757	1.0
201.05594	1.5
205.04979	1.7
211.07564	2.9
213.05490	1.2
215.07004	1.3
217.04558	1.1
223.07591	1.1
237.02956	1.1
237.09166	0.8
245.07582	1.3
245.09776	0.8
247.07611	0.8
248.08229	1.0
251.07111	1.9
257.07898	3.4
261.09070	2.0
263.07260	1.1
263.10776	0.8
264.07996	0.8
267.10315	0.8
270.08398	1.4
270.58438	1.2
275.07010	1.6
277.08319	0.7
278.09076	0.8
279.06430	0.9
279.10068	2.0
285.08810	0.9
289.08710	1.1
291.06665	1.0
291.10080	1.5
293.08344	3.3
293.11285	0.8
299.08649	0.9
301.08612	1.2
303.06522	7.1
303.10199	3.0
304.07336	1.1
304.10815	1.0
305.08157	1.4
305.11502	1.2
307.06180	1.8
307.09683	3.8
308.09320	0.9
309.15005	1.1
315.10162	2.2
317.08026	5.9
318.08817	4.4
319.09515	3.7
320.06656	0.9
321.07794	1.4
321.11218	5.1
329.08261	1.0
331.06049	1.3
331.09598	2.4
332.06876	1.3
332.10526	1.2
333.07581	0.9
333.11194	12.6
333.14948	1.0
334.11945	1.3
335.05682	0.9
335.09189	17.7
345.07489	3.7
346.08273	2.4
347.09128	8.4
347.12845	4.9
348.09619	0.8
349.10724	6.0
350.11481	3.0
359.12842	0.9
361.10712	17.5
362.11407	6.7
363.08423	2.6
363.12375	1.8
365.13870	100.0
366.14456	3.2
374.27426	0.7
375.12177	0.9
376.13040	13.8
378.11111	3.5
387.88092	0.7
393.13501	85.7
394.13821	3.7
397.16525	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	393.1336
Annotation	Hookerianin
Peak:m/z	Relative Intensity
55.05501	1.1
55.14916	0.7
57.84340	0.6
67.05464	0.7
69.07055	1.3
69.31989	4.6
69.32405	1.4
70.94836	0.6
79.05480	1.7
79.57687	0.5
81.07039	1.4
84.87119	0.6
89.56437	0.6
91.05487	15.8
93.07034	1.5
93.27784	0.7
93.98343	0.7
95.04935	0.8
95.08533	0.7
95.71581	0.6
105.04487	0.7
105.06985	1.3
107.04983	1.5
107.08562	2.3
109.02852	0.8
109.06480	0.8
113.56078	0.6
117.06956	0.8
119.04977	0.8
119.08607	0.7
123.11756	0.7
128.06267	0.9
129.06935	0.7
131.08565	1.0
135.04398	2.2
135.11650	0.9
141.01842	0.7
145.06476	0.9
147.04420	7.4
149.02365	5.5
159.04398	0.8
161.05986	1.4
163.03902	1.1
165.01820	5.2
167.03441	3.3
167.07085	1.1
171.08076	0.9
173.06018	2.1
175.03926	3.7
176.04642	2.9
178.06348	0.8
179.08597	2.3
181.06525	0.7
182.07193	0.7
183.02898	2.0
183.08078	1.0
185.05872	0.8
187.03909	2.7
187.07542	1.7
189.05467	1.0
191.07048	22.9
191.08763	1.4
192.07590	0.7
193.04877	0.8
195.08102	0.8
197.06012	1.5
199.07521	2.1
200.04710	0.8
203.07024	2.4
207.08240	1.1
211.07568	1.8
213.05562	1.0
215.06972	1.5
223.07498	0.8
225.09128	2.0
227.07030	1.5
235.07597	2.0
239.07007	2.3
241.05159	0.7
241.08578	0.7
242.05489	0.9
245.09511	1.1
249.05426	0.7
251.07034	5.7
253.04881	0.8
253.05667	0.9
253.08606	16.5
257.08063	3.0
260.08420	0.9
261.09076	1.1
262.09564	0.7
265.08752	1.0
267.10129	1.0
269.08102	9.8
275.07004	1.8
275.10919	0.9
276.07779	1.2
277.08536	1.2
279.06772	0.9
279.10074	0.8
283.10019	0.7
287.07394	0.9
287.10696	0.8
289.08624	1.9
290.09311	1.3
291.06671	1.0
291.10129	1.7
292.07498	1.0
293.08060	2.6
301.08646	1.1
303.06543	5.0
303.09958	1.4
304.07376	1.5
304.10898	0.8
305.08151	1.1
305.11768	1.4
306.08896	0.7
307.05960	1.9
307.09637	2.5
309.11066	1.8
309.14624	1.6
317.08087	1.2
318.08932	2.0
319.09741	4.1
319.13202	1.2
321.11328	2.4
331.06107	1.7
331.09692	1.6
333.07761	1.1
333.11285	6.2
334.11905	1.4
335.09183	11.3
345.07407	0.9
346.08270	2.3
347.09146	7.6
347.12933	3.2
349.10727	5.3
350.11502	3.2
361.10812	7.8
362.11456	2.8
363.08701	2.1
363.12656	0.8
365.13879	100.0
366.14145	2.9
375.19592	5.8
377.09900	0.7
378.11176	1.1
393.13351	50.3
393.20615	8.2
394.13937	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1335
Annotation	Hookerianin
Peak:m/z	Relative Intensity
63.20305	0.5
67.05492	0.8
68.99811	0.9
70.82426	1.5
70.82764	0.8
79.05492	1.9
79.20515	0.6
81.07052	2.4
85.02875	0.8
91.05482	7.2
92.77747	0.6
93.07053	3.0
98.21508	0.7
105.07045	1.2
107.04978	0.8
107.08591	1.7
109.06489	1.6
110.25883	0.7
134.25763	0.9
135.04428	1.5
135.11702	1.1
141.06900	0.7
147.04413	1.2
153.05470	0.7
165.01859	0.7
165.07053	0.9
169.06367	0.8
173.06076	0.6
175.03914	1.3
179.07074	1.0
179.08528	1.7
181.06548	0.8
187.07538	0.9
189.05447	0.7
191.07053	3.4
191.08582	1.0
195.04376	1.0
195.08057	0.9
197.05963	3.2
199.07637	1.0
202.07828	2.9
203.06940	1.2
203.08614	1.0
205.06578	1.5
207.08173	0.8
210.03120	1.1
210.06720	0.9
211.07605	1.4
213.05406	0.6
215.08632	1.0
216.09312	1.0
217.10205	2.0
219.08118	2.3
220.08736	1.1
221.09605	0.7
223.07550	1.4
225.05464	2.5
225.09154	1.9
227.06918	1.0
229.08501	1.0
231.08084	2.3
232.08772	1.9
233.05989	1.7
233.09610	1.8
234.06851	1.0
235.07579	3.7
237.05499	1.3
238.02655	1.4
243.06367	0.8
244.08936	1.3
245.09695	3.9
246.10323	0.8
247.07536	5.2
247.11084	0.6
248.04781	0.8
248.08394	4.5
249.05589	1.2
249.09064	2.4
251.07063	8.9
253.04974	7.0
253.08612	9.5
257.08197	2.7
258.06787	1.2
259.07587	5.1
259.11096	1.2
260.08405	1.4
261.05560	1.4
261.09164	3.9
262.06244	0.9
262.09818	3.1
263.07053	2.5
263.10709	1.8
265.05124	1.3
265.08640	1.2
269.08142	3.0
272.08347	1.4
273.06216	0.6
273.09076	4.1
274.09778	1.4
275.07086	7.2
275.10110	1.5
276.04675	1.1
276.07819	6.6
276.10626	1.2
277.08694	2.6
277.12250	3.6
279.06558	2.7
279.09927	1.1
280.07352	0.8
286.06326	0.9
287.07053	4.4
287.10471	1.3
288.07806	2.5
289.05319	0.7
289.08612	3.3
289.11810	0.8
290.06186	1.5
290.09314	7.5
291.06537	4.7
291.10172	11.7
292.07266	1.1
292.10596	1.2
293.04956	0.8
293.08075	2.6
294.08948	3.5
300.07751	1.6
301.08615	5.2
302.05896	0.7
302.09283	1.4
303.06580	20.5
303.10040	1.9
304.07312	3.1
305.08084	2.3
305.11761	7.0
306.12512	1.2
307.09445	3.2
309.11224	18.3
310.11514	0.8
315.06888	1.1
315.10257	2.3
317.08087	2.5
318.08920	5.8
319.09659	19.6
320.10190	1.1
321.11234	1.6
328.07349	0.8
329.08112	1.8
330.08691	0.9
331.06091	5.5
332.06979	0.9
333.11243	21.5
334.11972	5.4
335.08978	5.4
343.09583	1.4
345.07513	0.8
346.08322	4.5
347.09073	10.5
347.12833	1.0
349.10632	1.2
350.11517	1.0
361.10715	46.4
362.11307	4.0
363.08694	1.7
363.12488	1.5
365.13849	26.7
366.14087	0.9
375.12323	1.6
375.19550	2.1
393.13348	100.0
393.21298	2.6
394.13672	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	393.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.0
69.60003	3.2
69.60410	2.2
72.68472	0.8
79.05502	2.5
81.07059	3.0
85.02909	1.0
88.45045	0.7
91.05495	6.6
93.07065	1.4
95.08591	0.9
105.07052	2.2
107.04963	1.4
107.08632	1.1
109.06516	1.7
115.05533	1.0
117.30136	0.8
135.04381	1.5
137.84911	0.8
139.03973	0.8
139.05453	0.9
145.06560	0.9
147.04430	1.6
151.07561	1.0
165.01863	1.5
165.07018	1.3
167.03387	1.4
167.08565	1.9
173.06004	1.2
175.04048	1.0
179.07062	1.6
179.08505	1.8
183.02878	0.8
191.07050	4.3
195.08078	1.5
197.06026	4.0
202.07819	3.2
203.08609	1.4
205.06566	1.0
207.08138	1.2
210.03165	1.8
210.06854	1.3
211.07547	1.7
215.08696	1.1
216.09372	1.2
217.10107	1.2
219.08080	2.2
220.05190	0.9
220.08754	1.9
223.07535	2.8
225.05507	2.0
225.09064	1.7
231.08086	2.5
232.08716	1.8
233.09653	1.0
234.06760	1.1
235.07588	3.7
239.06883	0.8
243.08157	1.1
244.08821	0.8
244.77039	0.8
245.09576	2.8
246.10358	1.0
247.07530	4.5
248.08389	3.5
249.09151	2.1
251.07048	27.8
253.04930	6.9
253.08585	10.7
258.06754	1.9
259.07526	3.5
259.11334	1.1
260.08255	1.2
261.05673	1.0
261.09100	3.8
262.06360	0.8
262.09879	2.7
263.07022	2.9
263.10718	2.6
264.07791	0.9
265.05029	1.0
265.08652	1.3
269.08093	6.5
272.08383	1.9
273.09167	3.7
274.09924	1.8
275.07083	6.1
275.10620	2.2
276.07950	4.6
277.08701	2.5
277.12241	3.4
279.06583	3.5
279.09985	1.2
279.96713	1.0
287.07062	3.4
287.10760	1.5
288.07770	2.8
289.05338	1.0
289.08624	2.3
290.06171	1.7
290.09375	7.4
290.12274	1.4
291.06613	4.7
291.10190	10.5
292.07391	1.2
292.10742	1.4
293.05283	0.9
293.08258	2.5
294.08948	2.8
300.07779	2.9
301.08572	4.3
302.09335	1.4
303.06592	18.4
303.09906	1.5
304.07248	3.4
305.08240	2.0
305.11716	5.7
307.06277	1.3
307.09723	3.3
309.11255	15.7
315.06714	1.5
315.10315	2.0
316.10922	0.8
317.08340	2.4
318.08807	6.4
319.06088	1.3
319.09598	18.0
320.10110	1.8
329.08035	1.2
331.06003	6.5
331.09344	1.2
332.07001	1.5
333.07712	0.7
333.11237	17.5
334.11899	4.5
335.09201	4.6
337.14127	1.1
343.09830	1.4
344.10025	1.2
345.07455	1.1
346.08389	4.4
347.09161	9.0
349.10825	1.2
361.10724	49.0
362.11249	3.7
363.08600	1.9
363.12604	1.1
365.09177	1.2
365.13864	23.3
366.14432	0.9
375.12360	1.6
375.19577	4.1
393.13342	100.0
393.21143	2.9
394.13651	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	393.1334
Annotation	Hookerianin
Peak:m/z	Relative Intensity
50.28536	0.6
69.91154	3.4
84.67568	0.6
91.05486	1.1
108.16245	0.6
147.04402	0.8
158.07390	0.9
175.04012	0.7
187.03909	3.7
187.07474	0.8
191.07018	3.1
202.07637	0.9
205.05006	0.9
219.08290	0.8
245.09827	0.6
248.08572	0.6
253.08772	1.3
261.09079	0.7
269.08286	0.8
275.07178	1.7
276.07990	1.5
279.06580	0.9
279.10123	0.8
286.06662	0.8
287.07062	1.7
289.08643	0.7
291.10196	1.3
293.08102	8.4
301.08762	1.2
303.06598	16.1
303.10043	1.4
304.07269	1.8
315.06668	0.9
315.10172	2.0
317.08075	1.6
318.08865	8.4
319.09711	7.0
329.08148	1.8
331.06058	2.6
332.06674	3.4
333.11227	22.3
334.11652	1.2
335.09137	3.0
345.07629	1.5
346.08426	6.1
347.09146	31.6
348.09573	1.1
361.10724	18.5
362.11533	12.8
363.08447	4.4
363.12439	0.7
365.13831	8.2
378.10928	2.6
393.13348	100.0
393.26428	1.8
394.13574	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	393.1335
Annotation	Hookerianin
Peak:m/z	Relative Intensity
58.56078	0.4
70.99763	0.9
79.05473	1.1
80.30487	0.5
81.07050	1.2
88.62637	0.5
91.05476	2.4
107.04929	1.1
112.11967	0.5
117.06994	0.7
128.06209	0.6
135.04370	1.7
145.06454	1.1
147.04417	6.4
148.05092	1.0
151.07558	0.7
153.05400	0.8
155.08438	0.6
159.04401	0.9
159.08020	0.9
160.05226	0.7
161.05957	0.7
167.06995	1.7
171.07993	1.1
173.05988	3.4
175.03880	1.4
176.04695	3.3
178.06212	1.2
184.05052	0.6
185.05997	1.1
187.03925	3.6
187.07544	1.9
189.09036	0.7
191.07034	21.3
193.05025	0.6
195.08057	0.8
197.05972	1.2
199.07497	2.6
200.04614	0.5
205.04967	0.9
211.07480	1.2
213.05518	0.7
215.07072	1.2
223.07542	0.6
227.06966	0.6
229.08559	0.7
239.04466	0.5
239.07008	1.5
250.06284	0.7
251.07042	1.5
253.08559	1.1
257.08081	2.6
261.09241	1.1
263.10660	0.7
265.08481	0.6
273.09000	0.7
275.07053	1.3
275.10727	0.6
276.07980	0.7
277.08575	0.7
279.06680	1.0
279.10089	1.0
288.11240	0.5
289.08633	1.2
290.09265	0.9
291.06778	0.6
291.10086	1.3
292.07236	0.7
293.08099	3.4
293.11249	0.8
295.06174	0.6
300.07733	0.8
301.08624	0.7
303.06519	5.5
303.10187	2.2
304.10898	0.6
305.08090	1.3
305.11591	0.5
307.05969	1.3
307.09628	2.5
309.14981	0.8
315.10199	0.9
317.08047	1.4
318.08917	2.8
318.12189	0.5
319.09637	3.5
321.07764	0.7
321.11148	3.1
323.09256	0.7
329.08069	1.0
331.06021	1.5
331.09689	1.4
332.06714	1.1
332.10464	0.9
333.07617	0.9
333.11237	7.0
334.11926	0.6
335.09158	12.2
336.09741	0.6
337.14255	0.6
345.07556	0.8
346.08380	1.5
347.09125	7.9
347.12851	4.4
349.10605	4.3
350.11423	3.0
361.10800	4.7
362.11346	2.8
363.08594	2.6
363.12476	1.3
365.13858	100.0
366.14117	2.7
378.11151	1.0
393.13336	42.0
394.13528	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
53.03946	0.7
53.75396	0.4
54.81009	0.4
55.01859	0.6
62.57070	0.4
65.03937	0.5
66.04723	0.5
69.03402	0.6
69.97636	1.2
79.05492	2.3
81.07060	0.5
91.05486	11.2
93.07004	0.6
95.04974	1.1
103.05444	1.2
105.07039	1.6
107.04978	3.0
107.08572	0.5
108.05736	1.6
109.06554	0.8
115.05461	6.7
116.06229	0.6
117.07022	8.2
119.04971	0.8
121.06519	4.9
123.08099	0.6
124.05211	2.7
125.06000	0.8
128.06210	0.9
129.06995	1.4
131.04930	0.8
131.08565	2.9
133.02904	2.2
133.06488	0.9
135.04379	2.0
136.05215	4.9
137.05940	0.5
139.07561	8.1
141.06973	0.6
144.05692	0.5
145.06490	4.4
147.04416	1.5
148.05209	6.4
149.05984	1.4
150.06735	0.5
151.07549	38.5
153.06990	1.4
154.07768	0.8
155.04942	0.7
155.07089	0.7
155.08551	0.6
156.92534	0.4
158.03581	0.8
159.04416	1.0
159.08011	1.3
160.05208	0.9
161.06044	1.7
162.06792	1.2
163.07600	0.5
164.04733	0.6
165.05495	4.1
165.06754	0.8
165.09161	0.8
167.07028	6.1
168.05717	0.6
169.06508	0.7
173.02376	3.3
173.06003	6.6
175.03964	0.6
175.07558	0.8
176.04716	0.9
177.05487	8.3
178.06270	1.3
179.07042	100.0
180.07404	1.5
181.04958	0.5
183.08087	1.0
186.03177	1.0
187.03905	2.7
187.07547	4.3
188.04665	1.3
191.03404	1.3
191.07042	24.8
192.07820	37.2
193.08511	1.8
200.04718	1.2
201.05473	55.0
202.05844	1.0
204.04111	0.7
207.10333	0.4
211.07553	47.0
212.07997	1.2
214.06326	0.5
215.07036	20.1
219.06549	7.9
220.07225	1.3
235.07617	0.5
239.07089	7.4
253.08609	4.8
289.08423	0.4
303.09854	0.4
319.09885	0.6
340.50223	0.4
361.10892	0.6
363.20856	0.5
365.13779	2.7
365.98462	0.4
375.12411	1.1
375.19495	0.5
378.11063	0.5
393.13333	38.2
393.21283	1.4
394.13644	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1333
Annotation	Hookerianin
Peak:m/z	Relative Intensity
61.83718	0.7
70.10348	2.6
78.53647	0.7
81.07061	1.0
91.05472	1.5
91.42473	0.7
101.58160	0.7
107.04970	1.5
109.06538	1.0
109.18708	0.8
109.29230	0.8
114.21204	0.9
135.04428	2.0
145.06503	1.0
147.04442	9.0
158.07176	0.8
159.04471	0.9
159.08066	1.4
161.06035	1.2
163.03923	1.3
166.23264	0.9
167.07054	2.4
171.08141	0.9
173.06041	2.6
175.03975	1.8
176.04698	2.1
178.06334	1.0
184.05217	1.1
185.05988	1.5
187.03906	3.1
187.07553	2.8
191.07040	20.9
191.08786	1.2
197.05936	1.5
199.07512	1.8
213.05414	1.4
214.06374	1.2
239.07106	1.5
250.06198	0.8
257.08066	3.5
259.57953	0.9
261.09183	1.5
275.07108	1.4
275.10474	1.2
277.08469	1.0
289.08701	1.8
291.10272	1.5
292.07294	1.3
293.08124	2.2
296.25656	0.9
301.08630	1.5
303.06528	3.7
303.10135	2.0
305.08347	1.0
306.08923	1.6
307.06146	1.9
307.09686	2.7
315.10144	1.0
317.07990	2.2
318.08813	2.2
319.09634	3.1
321.11221	3.5
331.06003	1.4
331.09525	1.4
332.06815	1.3
333.11160	4.1
335.09119	12.7
336.09488	0.9
347.09390	4.2
347.12390	4.1
349.10800	5.5
350.11563	3.3
361.10587	4.4
362.11282	2.5
363.08618	2.0
365.13861	100.0
366.14294	0.9
378.11078	1.5
393.13348	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	393.1334
Annotation	Hookerianin
Peak:m/z	Relative Intensity
58.27789	0.6
58.97676	0.7
67.80747	0.7
68.08416	0.7
69.55297	5.1
84.59244	0.7
91.05493	3.3
98.20741	1.1
107.04958	1.7
115.05488	0.9
121.06628	0.6
130.77260	0.6
131.08612	1.0
133.59842	0.8
135.04420	1.1
144.05853	0.8
145.06541	0.9
146.09991	0.8
147.04448	6.7
153.05478	0.7
159.08060	0.8
160.05336	0.9
161.06013	0.8
163.03979	1.2
171.08153	1.0
173.06015	3.3
175.03960	2.2
176.04677	1.4
178.06331	1.4
187.03915	1.7
187.07547	2.1
191.07043	19.7
193.05009	1.6
197.06062	1.1
211.07544	1.2
213.05479	0.9
215.07004	1.3
223.07402	0.9
237.09163	1.1
245.09595	1.1
251.07028	1.6
253.08577	5.1
257.08060	1.2
264.07394	0.8
265.08765	1.1
275.07150	2.0
276.07825	0.9
279.06619	1.3
279.10028	1.1
288.11508	0.8
289.08624	1.0
290.09247	0.9
291.10196	1.3
292.07455	0.7
293.08084	3.2
303.06561	3.8
303.10187	2.0
304.07343	0.8
305.08136	1.2
305.11627	0.9
307.06000	1.7
307.09686	2.5
309.14902	1.4
311.76678	0.7
315.10004	0.9
317.08020	1.9
318.08914	3.7
319.09610	2.7
321.07800	1.4
321.11090	4.4
329.16727	0.8
331.06067	1.0
331.09714	1.7
332.06512	1.2
332.10275	1.4
333.07690	1.6
333.11227	8.5
335.09177	17.1
346.08118	0.9
347.09131	6.4
347.12866	3.6
349.10654	5.6
350.11514	3.9
361.10751	4.4
362.11456	4.0
363.08466	1.5
363.12387	1.2
365.13858	100.0
366.14157	1.4
375.12537	1.0
378.11017	1.2
393.13309	28.6
394.13345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1335
Annotation	Dehydrodeguelin
Peak:m/z	Relative Intensity
54.25351	0.2
56.96563	0.2
57.59384	0.2
61.21177	0.2
67.05476	0.4
69.07082	0.2
70.85353	0.5
72.33486	0.2
79.05473	0.6
79.36942	0.2
81.07030	0.8
83.04939	0.2
91.05494	1.0
93.06995	0.4
95.04958	0.3
105.03357	0.5
105.07014	0.6
107.04940	0.6
107.08550	0.5
109.10133	0.3
115.05421	0.4
117.06996	0.6
118.04128	0.6
119.04894	0.4
119.08565	0.3
129.06998	0.3
130.62489	0.2
133.10086	0.3
135.04420	1.0
139.07497	0.3
141.06854	0.3
145.06474	0.4
145.10065	0.4
146.03612	0.4
147.04419	2.4
149.02325	0.3
151.07532	0.4
153.05420	0.3
153.06926	0.3
157.06413	0.4
159.04459	0.5
159.11691	0.2
161.05957	0.5
163.03845	0.4
163.07541	0.4
165.05583	0.3
165.06926	0.5
170.87927	0.2
171.08075	0.2
171.11684	0.2
173.05988	0.6
175.03870	0.5
175.07463	0.3
176.04700	0.8
179.06999	0.8
179.08519	0.3
181.06485	0.9
182.07224	0.8
185.05969	1.4
187.03882	0.6
187.07539	0.7
189.05510	0.3
191.07045	6.6
191.08771	0.4
192.07710	0.3
193.04990	0.4
195.07979	0.3
197.06032	0.3
198.06682	0.3
199.07545	0.3
201.05505	0.6
203.07050	0.4
205.05003	0.5
209.05942	0.8
210.06815	0.9
211.07529	0.7
213.05449	0.7
214.06290	0.4
215.07097	0.5
219.06403	0.5
221.06027	0.4
223.07405	0.3
236.04688	0.3
237.05432	1.9
237.09081	0.4
238.06267	1.3
239.06926	0.7
247.07726	0.3
248.04715	0.4
248.08295	0.2
249.05423	0.6
250.06139	0.5
251.07065	0.3
253.05145	0.3
257.07993	1.4
261.09174	0.3
263.07016	0.3
263.10666	0.2
264.04175	0.8
264.07568	0.2
265.04990	6.3
265.08231	0.3
266.05759	2.2
267.06491	1.1
273.09250	0.3
275.07059	0.8
276.07864	0.4
277.04886	0.4
277.08606	0.2
279.03055	0.2
279.06488	1.2
279.09973	0.4
280.03793	0.5
280.07086	0.2
281.04486	1.5
281.08115	2.2
281.35678	0.2
282.08850	0.5
285.07721	0.3
287.07083	0.3
287.10477	0.2
289.05191	0.3
289.08606	0.7
290.05899	0.2
290.09296	0.4
291.06573	0.6
291.10110	0.6
292.03677	0.2
292.06995	0.4
293.04492	14.5
293.08017	1.8
294.05240	2.2
295.06082	1.7
295.94266	0.2
300.07687	0.3
301.08743	0.6
303.06525	2.8
303.10092	0.9
304.07257	0.5
304.10663	0.2
305.04419	0.6
305.08035	0.6
306.05170	0.3
307.02521	0.5
307.05978	1.0
307.09674	0.9
308.03174	0.9
309.04068	0.5
309.07538	5.8
309.14862	0.3
310.08334	3.0
311.09003	0.4
317.08014	0.8
318.08810	2.0
319.06232	0.5
319.09702	1.8
321.04141	2.7
321.07629	0.7
321.10895	1.3
322.04794	3.3
322.08362	0.4
323.05475	0.9
323.09109	0.3
329.07883	0.3
331.05872	0.6
331.09735	0.5
332.06744	0.5
333.07654	0.3
333.11209	3.6
334.11938	0.3
335.05551	0.3
335.09146	3.2
336.09827	0.3
337.07074	47.0
338.07755	6.3
346.08203	1.0
347.09122	3.1
347.12775	0.5
349.07053	1.2
349.10748	2.5
350.07712	0.6
350.11575	0.7
361.10754	3.6
362.11551	2.0
363.08563	1.6
363.12415	0.3
364.09442	0.3
365.13882	17.1
366.14139	0.6
375.12338	0.3
377.10233	0.9
378.11005	0.9
393.13333	100.0
394.13626	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	393.1334
Annotation	Hookerianin
Peak:m/z	Relative Intensity
55.85338	0.7
57.07071	4.7
69.61005	5.5
74.89226	0.9
79.05479	1.8
79.48660	0.9
81.07062	1.3
91.05478	3.8
97.83692	0.8
98.20828	1.6
105.07088	0.9
107.05017	1.2
115.05529	0.9
119.04959	1.4
126.05516	1.0
128.06198	0.8
135.04407	2.2
141.07001	1.4
145.06529	0.9
147.04437	9.2
148.05234	1.6
151.07521	1.0
159.04419	1.0
159.08031	1.4
161.05957	1.7
162.03143	1.4
163.03954	1.4
163.07576	1.0
167.07056	0.9
171.08022	1.2
173.06017	2.8
175.03940	2.3
176.03319	0.8
176.04601	3.8
178.06180	1.1
185.05984	1.7
187.03879	3.4
187.07539	2.0
189.09117	1.2
191.07031	24.1
193.04948	0.9
195.07959	0.8
197.05971	1.6
199.07544	1.6
200.04756	0.9
201.05440	1.4
203.07027	1.2
209.12819	2.1
211.07581	1.2
213.05467	2.1
214.06326	0.8
215.07025	1.3
218.12793	1.0
223.07597	1.6
231.49994	0.8
233.09641	1.0
235.07483	1.3
237.09126	1.3
239.06960	1.5
247.07529	1.0
248.08430	1.6
250.06396	1.0
251.06909	1.1
251.10609	0.9
253.08626	1.4
257.08109	3.0
261.09106	1.6
265.08636	1.0
275.07016	1.4
275.10458	0.9
275.17523	1.1
276.07828	0.8
276.57516	0.8
277.08621	1.2
279.06470	1.8
279.10123	1.5
289.08551	2.0
290.09412	1.0
291.10159	1.2
293.04907	0.8
293.08096	3.2
293.18472	1.0
297.07336	1.1
301.08517	1.7
302.18719	1.8
303.06549	6.1
303.10162	1.9
304.07214	0.9
305.08093	1.3
305.88696	0.9
307.06155	2.0
307.09641	5.0
315.10159	1.6
317.08047	1.9
318.08853	2.1
319.09732	2.8
321.11154	4.2
331.05920	1.9
331.09613	1.5
332.06781	1.9
332.10501	0.9
333.07568	1.3
333.11157	7.1
335.09152	13.8
337.07034	1.9
337.14539	1.5
346.08353	2.1
347.09103	7.0
347.12946	2.8
349.10709	6.6
350.11383	3.6
361.10699	4.6
362.11340	3.6
363.08524	2.3
363.12463	1.4
365.13852	100.0
366.14246	3.5
373.08569	1.2
376.25937	21.9
377.10141	1.4
378.11063	1.1
393.13303	46.9
394.13580	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
67.05503	0.8
68.51911	0.7
68.80501	0.8
69.03434	1.3
71.56610	1.0
71.56975	0.8
79.05470	0.9
81.03422	1.2
81.07069	0.9
85.02894	1.1
95.08576	0.9
105.07053	1.7
107.08583	0.9
108.08083	1.0
114.26524	0.7
120.08047	0.8
120.38818	0.7
121.48277	0.8
136.07581	1.2
145.12273	1.0
182.16280	0.8
191.07172	1.0
227.05148	0.8
227.11835	1.1
243.08891	1.6
255.11308	1.7
264.87976	0.9
271.04309	1.1
289.10397	0.8
307.11612	4.2
329.11356	2.4
349.12613	35.5
350.12796	1.1
361.13861	2.5
365.13873	3.3
378.15546	1.1
393.11578	100.0
394.07352	0.8
394.11530	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	393.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12851	0.8
63.56386	0.7
67.05484	1.1
69.03445	1.1
69.31952	4.2
69.32384	2.7
83.04966	0.7
85.02917	1.2
85.06539	1.3
93.07037	1.1
95.05018	0.9
98.20766	1.5
105.07035	1.8
107.08646	1.0
108.08124	0.7
133.10110	0.8
136.07591	2.2
145.12254	0.9
227.11911	1.2
240.08681	1.0
255.11345	3.1
264.02573	0.8
283.10757	2.8
301.11749	1.0
307.11594	4.4
329.11359	2.8
349.12601	32.8
361.13910	5.0
393.11569	100.0
394.11938	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	393.097
Annotation	Hosloppin
Peak:m/z	Relative Intensity
51.83373	0.3
55.01869	0.3
56.96549	0.4
62.91154	0.3
64.08335	0.4
67.05503	0.8
69.03432	0.4
69.07066	0.4
71.13537	0.5
79.05503	0.8
81.03412	0.5
81.07038	0.9
83.08704	0.3
85.06499	0.4
91.05463	1.9
93.07026	0.6
95.04977	0.6
95.08603	0.7
105.07025	1.1
107.71377	0.3
109.06528	0.6
109.10125	0.7
115.05486	0.4
117.06969	0.7
119.08599	0.5
120.23310	0.3
131.08562	0.4
133.10114	0.6
135.04460	0.5
139.03896	0.5
139.07483	1.0
143.08575	0.6
145.06474	0.9
145.10123	0.6
147.04410	0.4
151.07510	0.7
157.06441	0.5
159.08124	0.3
159.11665	0.4
160.05223	0.3
161.05949	0.5
167.03368	0.4
167.07085	0.7
171.04480	0.4
173.06004	0.9
177.05580	0.7
179.07048	0.7
183.07990	0.3
187.03897	0.5
187.07562	0.7
191.03378	0.6
191.07037	1.9
192.07816	3.3
197.05911	0.4
200.04533	0.4
201.05464	1.7
201.12845	0.4
209.05971	0.4
211.04053	0.5
211.07530	4.4
219.06537	0.4
225.09029	0.4
226.06168	0.5
233.05777	0.3
235.07645	0.7
237.05423	0.7
239.03369	0.7
239.06950	0.8
243.06566	0.5
247.07347	0.5
249.05351	0.5
252.04091	0.6
253.08640	1.1
254.05687	1.0
259.07761	0.4
262.99091	0.3
263.07080	2.2
265.05002	0.9
267.06580	0.5
268.03674	1.0
275.06995	0.5
276.07928	0.5
277.08505	0.6
279.06445	0.9
280.03723	3.0
281.04410	0.7
282.05200	2.9
287.07007	0.5
290.05508	0.4
291.06436	4.0
292.03647	1.4
293.04333	1.2
293.07727	0.4
294.08783	0.6
295.06079	2.7
296.03259	0.7
296.06586	0.7
297.07587	1.5
303.06528	1.3
304.07318	1.9
305.04871	0.3
305.07993	1.7
307.05972	2.1
308.03305	0.8
308.06705	1.0
309.03830	0.5
309.07446	0.4
310.04749	2.4
311.05560	1.2
315.10233	0.4
318.05386	0.4
319.06067	5.1
319.09583	0.6
320.03192	1.6
321.04129	0.7
321.07584	1.1
322.08340	2.4
323.05597	2.4
324.06198	1.6
325.06958	2.5
331.06165	0.5
332.06799	2.8
333.07605	1.9
334.08423	0.7
335.05515	8.5
335.09180	0.6
336.05975	0.6
337.10846	2.2
347.05392	4.8
347.09253	1.5
349.07028	1.9
350.07849	2.2
351.08572	0.4
359.28500	0.4
360.06387	0.7
361.06912	0.7
362.07877	1.6
363.08575	1.2
365.10162	9.1
365.14001	2.1
375.08539	1.8
378.07446	0.6
393.09653	100.0
394.10037	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83373	0.3
55.01869	0.3
56.96549	0.4
62.91154	0.3
64.08335	0.4
67.05503	0.8
69.03432	0.4
69.07066	0.4
71.13537	0.5
79.05503	0.8
81.03412	0.5
81.07038	0.9
83.08704	0.3
85.06499	0.4
91.05463	1.9
93.07026	0.6
95.04977	0.6
95.08603	0.7
105.07025	1.1
107.71377	0.3
109.06528	0.6
109.10125	0.7
115.05486	0.4
117.06969	0.7
119.08599	0.5
120.23310	0.3
131.08562	0.4
133.10114	0.6
135.04460	0.5
139.03896	0.5
139.07483	1.0
143.08575	0.6
145.06474	0.9
145.10123	0.6
147.04410	0.4
151.07510	0.7
157.06441	0.5
159.08124	0.3
159.11665	0.4
160.05223	0.3
161.05949	0.5
167.03368	0.4
167.07085	0.7
171.04480	0.4
173.06004	0.9
177.05580	0.7
179.07048	0.7
183.07990	0.3
187.03897	0.5
187.07562	0.7
191.03378	0.6
191.07037	1.9
192.07816	3.3
197.05911	0.4
200.04533	0.4
201.05464	1.7
201.12845	0.4
209.05971	0.4
211.04053	0.5
211.07530	4.4
219.06537	0.4
225.09029	0.4
226.06168	0.5
233.05777	0.3
235.07645	0.7
237.05423	0.7
239.03369	0.7
239.06950	0.8
243.06566	0.5
247.07347	0.5
249.05351	0.5
252.04091	0.6
253.08640	1.1
254.05687	1.0
259.07761	0.4
262.99091	0.3
263.07080	2.2
265.05002	0.9
267.06580	0.5
268.03674	1.0
275.06995	0.5
276.07928	0.5
277.08505	0.6
279.06445	0.9
280.03723	3.0
281.04410	0.7
282.05200	2.9
287.07007	0.5
290.05508	0.4
291.06436	4.0
292.03647	1.4
293.04333	1.2
293.07727	0.4
294.08783	0.6
295.06079	2.7
296.03259	0.7
296.06586	0.7
297.07587	1.5
303.06528	1.3
304.07318	1.9
305.04871	0.3
305.07993	1.7
307.05972	2.1
308.03305	0.8
308.06705	1.0
309.03830	0.5
309.07446	0.4
310.04749	2.4
311.05560	1.2
315.10233	0.4
318.05386	0.4
319.06067	5.1
319.09583	0.6
320.03192	1.6
321.04129	0.7
321.07584	1.1
322.08340	2.4
323.05597	2.4
324.06198	1.6
325.06958	2.5
331.06165	0.5
332.06799	2.8
333.07605	1.9
334.08423	0.7
335.05515	8.5
335.09180	0.6
336.05975	0.6
337.10846	2.2
347.05392	4.8
347.09253	1.5
349.07028	1.9
350.07849	2.2
351.08572	0.4
359.28500	0.4
360.06387	0.7
361.06912	0.7
362.07877	1.6
363.08575	1.2
365.10162	9.1
365.14001	2.1
375.08539	1.8
378.07446	0.6
393.09653	100.0
394.10037	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	392.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.5
56.05035	0.8
56.96561	1.0
57.03422	1.3
61.02937	0.6
67.05492	1.7
69.03441	4.6
69.07059	1.8
69.41611	3.1
70.06590	1.4
70.30212	0.5
71.04984	0.8
72.08140	1.1
73.02924	1.3
74.06091	0.7
79.05481	1.2
81.03432	2.7
81.07056	1.4
82.06582	1.9
84.04507	1.2
84.08145	1.3
85.02912	7.2
85.06518	0.8
86.09713	0.8
87.04463	0.8
91.05468	1.8
93.07071	1.2
94.06575	4.3
95.04971	1.5
95.08643	0.6
96.08115	1.7
96.08707	0.5
97.02899	3.6
97.06553	1.0
98.97573	2.4
99.04463	1.0
105.07040	1.8
107.08604	1.4
108.08125	1.8
109.02878	1.5
109.06532	1.7
110.06033	3.6
111.04438	0.7
111.08112	1.0
112.07598	2.3
113.05999	1.3
114.09129	0.7
116.98662	0.8
119.56220	0.6
120.08115	1.7
121.06479	1.0
122.06037	9.2
122.09698	1.0
123.04467	1.2
123.06839	0.7
123.08059	1.0
124.07604	6.8
125.07912	1.0
125.45670	0.5
126.08327	0.6
126.09163	1.6
127.03912	2.1
130.06512	0.5
131.08597	1.3
134.09669	2.0
135.08063	1.0
136.07565	2.1
136.11240	1.1
137.06007	0.7
138.09131	4.5
139.07553	1.3
140.07076	17.1
142.08615	1.5
144.10170	3.0
145.04944	1.0
147.04443	1.6
148.07602	0.8
148.11230	3.3
149.02335	1.4
149.09648	2.7
150.02710	1.0
150.09196	1.2
152.07132	0.7
153.05443	1.3
154.08643	18.7
156.10214	1.3
161.08353	0.7
164.10701	1.1
166.12318	5.0
167.07083	0.7
167.10663	1.7
168.10228	1.5
176.10684	2.6
177.09154	0.6
192.03276	1.2
194.11807	9.8
195.06563	0.8
200.07353	0.8
210.04359	2.2
212.12837	7.9
228.05342	0.9
230.13890	100.0
231.14198	2.1
237.02850	0.7
238.03932	4.7
240.12338	0.6
255.07658	1.0
256.04935	2.2
259.76862	0.6
308.14862	0.6
315.09583	0.8
324.07019	0.6
357.07333	0.6
362.12854	0.9
365.13959	1.6
375.08655	2.8
392.13919	0.7
392.19247	7.8
393.09720	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76081	0.2
54.89361	0.2
55.01873	0.4
57.03436	0.6
58.06605	0.4
69.67104	1.2
72.08157	1.0
75.04462	0.3
85.06540	0.5
86.06039	0.3
86.09723	0.3
95.04954	0.8
98.09105	0.3
98.09705	4.5
99.04478	0.3
102.09190	2.1
106.12141	0.3
109.06556	0.3
111.08070	0.4
113.06039	1.5
128.07130	0.4
129.15428	0.3
140.10712	0.9
146.08189	0.3
156.13736	0.4
158.11775	9.4
174.11240	0.3
182.11780	0.5
200.12830	3.1
218.13884	100.0
219.14240	1.3
301.25153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01070	0.5
52.35962	0.5
53.03942	1.6
55.01871	3.2
55.05513	2.9
56.05035	0.9
57.03431	1.0
58.06577	0.5
60.04534	1.3
60.31439	0.7
67.05490	1.5
68.05802	0.6
69.03439	4.4
69.07061	1.5
70.03726	0.6
70.06602	3.2
71.04980	1.7
71.57440	0.9
72.08148	1.9
73.02901	0.8
75.01982	0.6
79.05489	2.2
80.05779	0.6
81.03415	4.3
81.07063	7.4
82.06566	0.9
82.07382	0.8
83.04988	0.8
83.08620	2.8
84.04507	23.5
84.08141	2.1
85.02925	7.0
85.06539	1.1
86.03246	1.1
86.09705	1.7
87.00819	2.1
87.04427	1.0
91.05478	1.0
93.07034	1.4
95.04972	2.4
95.08599	1.0
96.05309	0.8
96.08105	1.3
97.02898	3.2
97.06528	1.1
98.03190	0.5
98.06070	4.2
98.09676	2.2
98.97569	1.4
99.04447	2.1
99.08113	0.6
105.01941	0.7
105.07050	1.7
107.08600	1.2
108.08178	0.7
108.08941	0.6
109.02874	3.4
109.06512	2.7
109.10155	1.2
110.09710	0.7
110.10461	0.8
111.04399	0.8
112.11247	0.7
116.07039	0.9
118.06619	0.6
119.08591	0.8
121.17916	0.6
124.07584	7.6
125.07920	1.8
126.01083	0.9
126.03729	1.4
126.05557	3.0
126.08370	1.3
126.09157	37.3
127.03918	3.4
129.05435	0.5
130.06572	0.9
133.10132	1.5
134.10443	1.4
136.07578	1.9
137.05989	0.9
137.65562	0.6
138.09103	1.5
139.48407	0.6
142.08745	0.6
144.10201	100.0
145.05042	1.0
145.10510	1.0
153.09070	0.7
154.08549	0.8
156.10118	0.6
157.07654	0.9
158.06030	0.7
159.02893	1.4
168.10173	3.7
176.08925	0.7
186.11252	7.5
192.14685	0.7
209.15407	0.9
210.11263	2.4
210.15765	0.8
230.13875	0.9
231.04953	0.6
234.11284	2.3
252.12366	1.7
309.10867	1.4
347.16022	1.0
365.13654	0.6
392.13159	0.9
393.24716	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64396	6.5
55.05502	15.2
57.07069	8.3
59.35578	7.1
60.95953	6.8
67.05505	20.1
67.06055	7.2
69.03424	18.3
69.07062	17.7
71.58376	11.8
74.99673	7.2
79.05489	7.5
81.07040	17.0
83.04986	12.0
84.08140	8.4
85.02887	17.9
85.06567	17.1
86.09735	9.2
91.05461	9.5
93.07054	16.8
95.04935	9.9
95.08621	27.0
97.06450	7.5
99.04470	15.4
105.03394	95.2
105.07044	19.6
107.08582	20.9
109.06554	8.3
109.10151	15.1
119.08586	21.8
121.10167	7.7
123.08085	9.3
123.11725	16.1
130.06541	100.0
132.04445	30.2
133.10155	14.4
135.11658	19.8
137.05956	11.6
137.09576	7.9
138.09135	12.5
149.02380	46.3
157.07613	7.7
158.06004	17.1
164.07063	12.0
165.07874	24.0
166.05005	9.2
166.08644	11.5
170.33063	8.1
173.07088	9.7
175.14838	21.3
193.15875	29.4
207.04788	10.7
211.16920	18.4
212.66534	6.9
225.06616	12.6
229.14175	8.1
230.11908	16.5
232.10812	12.7
237.14345	11.5
243.07681	27.8
246.10947	9.1
246.14917	46.6
246.65161	11.5
260.10342	17.6
302.08511	16.8
328.10031	13.7
391.14688	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
53.28791	0.3
55.01660	0.3
55.01871	2.4
55.05504	0.4
67.05500	1.0
68.99797	1.3
69.03422	0.5
69.07059	0.8
69.72213	2.2
79.01823	0.5
79.05485	0.9
81.03412	1.0
81.07061	2.1
90.00239	0.3
91.05051	0.3
91.05495	3.8
92.99770	0.7
93.07063	2.2
95.08612	0.7
97.02878	0.6
105.07059	0.8
106.29778	0.3
107.08601	2.3
109.10160	2.9
119.08597	0.4
121.06506	0.4
121.10162	1.1
123.00767	1.9
123.11720	1.0
131.04918	1.0
133.10121	0.6
135.11697	2.8
137.02362	2.5
141.01830	6.6
149.02370	3.0
152.06197	0.4
153.01747	0.4
163.03842	0.5
165.01843	100.0
166.02209	2.0
167.03386	2.3
167.08545	1.0
175.03931	0.7
177.05536	0.3
179.03413	1.3
179.08484	0.4
183.02902	29.5
184.03328	0.5
191.03503	0.5
191.51752	0.3
193.04919	0.4
197.05980	1.6
203.07063	0.7
205.04964	2.7
219.06522	0.4
223.07599	1.3
225.09076	0.4
227.07097	2.1
231.06599	1.3
235.07474	1.2
251.07050	13.3
252.07497	0.4
253.08607	3.0
269.08105	82.9
270.08530	2.3
282.39673	0.4
283.09769	0.4
287.12729	1.2
291.10162	0.4
309.11188	5.5
311.12796	0.5
317.11871	0.4
327.12216	0.6
330.12561	1.6
335.12830	1.0
373.18008	4.3
391.19031	7.7
391.24612	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	391.2327
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
53.03951	5.9
55.05511	14.2
57.07087	5.0
65.03935	6.0
67.05492	18.7
69.03424	14.2
69.07066	14.3
70.79836	5.0
70.86319	4.9
71.04980	6.5
71.57361	7.3
73.11645	4.5
79.05488	14.1
81.03436	10.3
81.07056	34.9
83.04987	10.8
83.08630	14.4
85.02906	16.7
85.06551	9.0
86.09700	5.6
91.05488	18.9
93.07034	28.0
94.06570	11.6
95.04949	10.4
95.07349	10.1
95.08618	46.5
96.08139	21.6
97.06516	9.0
97.10181	6.8
103.05470	6.7
105.07026	26.2
107.08595	26.7
108.08131	14.7
109.06505	9.7
109.10158	38.7
110.09680	41.2
117.73249	4.8
119.08595	57.0
120.08110	100.0
121.08944	5.5
121.10108	9.2
123.08105	5.7
123.11698	24.5
125.09634	16.8
127.79515	5.7
128.54559	4.5
130.06557	12.5
133.10138	23.4
135.11700	35.8
136.07588	6.1
137.05946	8.3
137.09633	18.0
138.09134	71.3
143.10683	7.9
145.74686	4.4
146.05969	4.6
146.09659	5.3
147.11732	8.1
148.03914	13.5
148.07593	12.5
149.13303	13.4
151.11246	5.3
153.12811	5.3
155.10664	5.8
157.07619	25.2
166.08655	77.5
174.09044	12.8
175.14824	84.5
177.28624	5.0
185.07089	5.3
193.15865	76.6
211.16919	63.8
212.10591	6.8
214.09805	6.3
220.09566	5.0
233.26314	4.9
240.10208	4.8
299.10205	5.6
313.11859	14.8
317.11484	10.2
331.12891	16.2
341.11432	18.9
344.57828	5.5
345.14471	23.5
359.12195	9.5
363.15479	21.8
373.13644	13.9
373.18558	11.5
374.12430	12.5
391.08206	6.6
391.14902	25.2
413.43759	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	391.1906
Annotation	Licoflavone B
Peak:m/z	Relative Intensity
53.03945	0.7
55.01883	2.7
55.05508	1.1
65.03912	0.5
66.50885	0.4
67.05502	5.6
68.99783	1.9
69.03422	0.4
69.07072	3.9
70.20187	1.4
79.01842	0.6
79.05499	2.7
81.03426	1.0
81.07059	16.2
91.05487	2.9
92.99750	0.6
93.07050	7.6
95.08618	1.3
97.02925	0.4
98.21521	0.3
99.00821	1.0
103.05474	0.4
105.07043	1.9
105.51743	0.4
107.04917	0.5
107.08599	6.6
109.02926	0.4
109.06523	0.6
109.09460	0.6
109.10165	9.9
119.08538	0.8
121.06491	1.1
123.00812	1.8
131.04930	1.3
133.10127	1.1
135.11691	5.4
137.02328	2.5
141.01837	5.8
143.08566	0.4
149.02370	1.5
153.01880	0.8
153.35622	0.4
163.03897	0.5
165.01843	100.0
165.88861	0.4
166.02248	1.3
167.08670	0.4
177.01855	0.9
177.05498	0.8
179.03400	5.1
183.02896	32.6
184.03250	0.6
184.28235	0.4
189.01884	0.6
189.05518	0.7
191.03416	1.7
193.04926	2.6
197.06027	0.6
203.03426	0.9
203.07036	0.5
205.04947	2.8
207.06511	3.9
217.04933	0.9
219.06529	3.1
227.07109	1.8
231.06529	6.2
245.08063	0.5
249.07620	0.7
251.07085	2.5
253.08638	1.2
255.28758	0.4
257.08115	2.1
269.08102	70.0
270.08469	2.2
283.09708	3.0
287.12793	1.9
289.02277	0.4
295.09579	0.8
297.10989	1.8
298.34714	0.4
309.11246	1.5
311.12796	4.8
323.12830	1.6
331.13098	0.4
335.12778	6.1
373.18356	0.7
391.11533	2.2
391.19077	11.2
391.24622	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	391.1907
Annotation	lespeol
Peak:m/z	Relative Intensity
53.00303	0.8
55.01880	0.7
55.05520	0.6
57.93966	0.4
63.02385	0.4
65.03936	3.4
67.05502	1.5
69.07063	1.7
69.55704	1.1
69.56126	1.6
70.06584	0.6
79.05512	0.8
81.07066	3.5
91.05489	5.3
93.03407	2.1
93.07045	1.4
95.01310	0.5
95.08611	0.5
103.05441	0.9
105.03354	0.6
105.07021	0.9
106.69617	0.4
107.04987	0.4
107.08600	1.5
109.10150	2.5
115.59364	0.4
121.02866	2.8
121.06499	1.4
121.10140	0.9
123.11736	1.7
131.01305	5.4
135.04379	0.4
135.11676	0.6
141.07021	0.8
147.04427	1.8
149.02353	100.0
150.02687	1.1
163.03925	2.7
165.07013	0.7
166.07828	0.5
167.03412	64.3
167.08606	1.5
168.03755	0.8
171.76753	0.5
172.77441	0.4
175.03929	1.5
179.08513	0.9
189.05452	2.0
191.07054	1.5
195.08092	1.6
197.05992	1.9
201.05331	0.7
203.07059	2.2
211.07523	0.6
215.07056	2.1
215.40816	0.5
223.07576	2.1
225.09091	1.2
227.07138	0.5
231.92773	0.4
235.07571	1.4
241.08568	0.5
251.07062	17.6
253.08643	6.3
267.10175	0.7
269.08105	60.2
270.08386	1.7
271.13293	3.6
277.08630	0.4
291.10165	0.8
295.13391	0.4
305.12006	0.4
309.11203	2.7
311.12903	0.9
317.11594	0.5
323.12906	0.8
329.32574	0.7
330.12650	0.7
331.13336	0.6
334.11972	0.4
335.12772	1.0
347.16415	1.7
369.00345	0.4
373.17990	3.7
391.11465	0.9
391.19028	18.7
391.24542	9.4
391.35974	3.1
392.19653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1904
Annotation	Lespeol
Peak:m/z	Relative Intensity
50.22457	0.3
55.01894	0.5
55.05508	0.5
56.52301	0.4
61.00872	0.4
66.77847	0.4
66.81268	0.4
67.05504	1.9
68.25928	0.4
69.07062	3.9
70.44552	1.4
81.07059	2.1
91.05485	2.7
93.07022	1.6
95.08601	0.8
97.10160	0.4
103.05486	0.6
105.03374	0.8
105.07042	0.8
107.08589	0.9
109.10163	4.1
111.11722	0.7
115.05453	0.5
117.49924	0.4
121.10156	3.7
123.11714	0.9
129.06958	0.5
133.10091	0.5
135.11646	0.8
139.11174	1.9
141.06958	1.5
149.02299	0.9
152.06206	2.9
153.06885	0.5
155.04892	0.5
155.08495	0.4
165.06993	2.1
166.07835	1.0
167.08560	7.4
169.06511	0.6
170.62582	0.4
176.06245	0.5
177.06960	2.4
178.07780	1.2
179.08525	0.9
181.06535	0.6
194.07281	0.5
195.08046	4.5
197.05988	10.1
205.06476	1.2
207.08046	0.8
207.18434	0.4
223.07544	10.0
235.07555	3.7
247.07578	0.6
249.08902	0.4
251.07042	100.0
252.07410	2.7
253.08600	3.2
263.10812	0.5
265.08591	0.7
269.08081	19.8
277.08676	0.9
291.10226	1.2
305.11438	0.6
309.11301	0.8
313.12006	0.7
317.11667	1.1
330.12589	3.9
331.13257	1.6
355.16876	1.3
373.18008	15.0
374.18420	0.9
391.19058	2.4
391.35715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76668	0.8
51.42045	0.7
53.00298	0.8
55.01856	1.2
55.05503	1.4
57.07071	1.1
64.94345	0.6
65.03944	4.9
66.12772	0.6
67.05521	4.0
69.07069	4.7
69.93107	3.4
70.06596	1.8
70.88023	0.6
71.04972	0.7
71.08607	0.8
79.05481	3.2
81.07060	7.4
83.01318	0.7
91.05485	15.1
93.03419	2.8
93.07044	3.2
95.08607	1.9
101.25577	0.7
103.05474	1.8
105.03380	1.0
105.07035	2.4
107.04964	1.5
107.08592	3.4
109.06528	0.9
109.10158	6.7
119.04966	1.2
121.02879	4.1
121.10159	2.9
123.11716	5.9
124.71296	0.6
129.07005	1.6
131.01306	5.7
132.10223	1.7
133.10149	1.4
135.04430	2.4
135.11725	1.1
137.47629	0.6
137.93655	0.7
139.11200	1.0
141.06996	1.2
143.08571	0.7
146.11749	1.0
147.04405	2.4
149.02347	100.0
150.02693	1.0
151.11192	1.6
152.06229	1.6
155.08461	0.8
163.03926	7.0
165.07016	3.0
166.07755	0.9
167.03413	81.2
167.08577	4.4
168.03716	1.0
175.03914	5.4
177.07019	2.1
178.07774	1.8
179.08566	2.9
181.06509	0.8
183.07996	1.2
183.32292	0.6
187.03831	0.7
189.05460	3.1
191.07014	0.9
195.08043	3.7
197.05991	6.4
201.05504	1.3
203.06995	3.5
207.08081	2.2
211.07518	1.2
215.07024	3.0
223.07545	7.3
225.09119	3.3
227.06961	0.9
235.07558	4.9
241.08475	4.1
249.09259	0.7
251.07050	64.8
252.07396	1.7
253.08636	19.0
263.10645	0.8
267.06729	0.9
267.10162	2.0
269.08093	70.6
270.08365	1.9
271.13293	3.9
277.08572	1.7
279.10199	1.2
281.11942	1.4
285.29749	0.8
291.10114	2.9
295.13507	1.1
305.11771	1.1
309.11230	2.8
311.12878	1.5
317.11691	1.5
319.12915	0.9
320.44138	0.8
327.12402	0.9
328.31866	1.3
329.32462	3.8
330.12543	2.4
331.13281	3.7
335.12662	1.1
345.18484	0.8
347.16486	9.0
361.07269	1.7
373.18002	15.5
391.11682	8.1
391.19046	50.5
391.24567	32.3
391.36011	13.2
392.19394	2.3
392.24677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34336	0.7
54.85860	0.7
55.01867	2.8
63.92104	0.9
67.05500	1.7
68.99774	1.3
69.03420	0.9
69.07071	1.3
69.93967	2.4
69.94360	1.6
75.40417	0.8
79.01858	1.1
79.05478	2.8
81.03416	1.4
81.07071	4.5
90.44463	0.8
91.02402	0.7
91.05487	10.7
93.07031	4.1
95.08585	1.2
99.00798	1.2
103.05448	1.2
105.07030	15.6
107.08575	3.1
109.10150	3.3
117.07009	1.1
119.08570	1.1
121.10200	1.2
123.00776	1.9
123.11732	1.4
129.06993	0.9
131.04910	2.0
131.08560	1.1
133.10141	22.2
135.11700	4.6
137.02341	2.7
141.01830	5.7
143.08444	0.8
149.02295	1.3
155.08562	2.7
165.01842	100.0
166.02162	1.4
167.03368	0.9
167.08562	1.1
175.03897	3.1
177.01892	1.1
179.03372	2.4
179.08560	0.8
183.01309	1.7
183.02896	23.7
183.08099	1.2
185.06067	0.8
191.03448	1.0
195.07957	1.4
197.06009	1.8
201.09114	1.1
203.06949	2.5
211.07553	10.0
214.06271	0.9
215.10649	2.3
223.07515	2.2
225.09015	1.6
227.07137	1.9
229.08577	10.3
230.08591	0.9
231.06526	1.9
235.07573	2.1
239.07007	3.2
242.05641	1.7
243.06613	1.5
251.07034	13.5
252.07030	1.0
253.08629	8.0
257.05313	1.2
257.08075	27.3
269.08105	74.8
270.08392	2.0
271.09628	1.0
281.08038	1.1
287.12787	1.7
291.10263	0.9
297.11264	7.4
311.12909	1.4
335.12677	2.6
345.18640	1.6
345.23206	0.8
373.17953	5.2
391.19043	19.8
392.19394	1.2
411.96967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1908
Annotation	Rubranine
Peak:m/z	Relative Intensity
52.04502	0.4
55.01859	0.7
63.09027	0.3
65.03939	1.4
67.05497	0.6
69.03452	2.0
69.76166	0.5
69.76569	1.7
79.05492	0.5
81.07061	1.4
83.01351	1.5
91.05484	89.3
92.05807	0.8
93.07034	1.2
95.08601	0.6
97.06536	0.4
98.21475	0.7
101.77221	0.4
103.05457	0.4
105.03399	1.2
105.07043	1.4
107.08607	0.9
109.06529	1.7
109.10169	0.5
119.04931	0.5
121.10149	0.9
123.11727	0.5
125.09650	0.3
133.10144	0.9
134.58223	0.4
141.06958	1.1
143.08562	1.0
147.04408	2.2
149.02364	1.7
151.11169	2.7
153.06990	0.7
154.07732	0.5
155.08601	0.8
157.06503	1.2
163.03928	1.4
165.06912	0.7
166.07799	0.7
167.08604	0.8
169.06538	0.5
169.10109	0.7
175.03915	16.4
178.07713	2.2
179.08565	7.7
181.06532	0.6
182.07268	0.8
183.08075	1.0
189.05444	1.0
195.08093	0.6
197.05997	0.7
197.09599	2.3
199.07607	2.3
207.08046	4.1
210.06792	1.7
211.07536	2.8
213.09071	0.5
223.07516	1.0
224.08327	0.5
225.09102	12.3
226.09442	0.5
229.08554	0.8
235.07549	8.5
239.06818	0.7
241.08617	1.2
249.09256	0.4
251.07063	2.9
253.08606	100.0
254.08957	2.8
267.10236	0.9
271.09628	0.9
309.11212	1.1
323.12997	0.5
330.12601	0.5
373.17975	2.5
391.19043	45.8
392.19211	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	391.1903
Annotation	lespeol
Peak:m/z	Relative Intensity
55.01849	0.7
56.96534	0.5
57.07051	0.5
58.18473	0.4
67.05484	0.5
69.07043	0.5
70.46672	1.3
71.04958	1.1
79.05466	0.9
81.07013	0.9
83.01316	0.4
91.05487	11.3
93.07024	1.1
95.04926	0.4
95.08584	0.8
97.06499	0.8
104.19909	0.4
105.03342	0.6
105.07001	1.3
107.04926	0.5
107.08553	1.0
109.10116	1.4
115.05463	0.5
119.08569	0.4
121.10133	2.3
123.11650	0.5
125.09624	0.4
127.11165	0.6
129.06966	1.1
133.10120	0.6
135.11665	0.7
137.09566	1.0
139.11171	1.2
141.07028	2.8
147.04440	0.4
149.02359	2.4
151.11150	0.6
152.06232	4.8
153.07004	0.8
153.12712	1.3
155.04858	0.6
155.08519	0.4
157.06578	0.4
165.07004	3.9
166.07822	2.2
167.03423	0.7
167.08572	10.1
169.06517	0.9
171.08160	0.5
175.03947	2.0
176.06210	1.0
177.07007	2.6
178.07727	1.1
179.08496	1.8
181.06480	0.7
183.07994	0.5
195.08080	5.9
197.05988	11.1
197.09656	0.4
198.06363	0.4
199.07568	0.3
205.06480	1.1
207.08101	0.9
210.66196	0.4
211.07538	0.6
223.07556	11.7
224.07990	0.5
225.09157	0.7
235.07545	3.9
237.09308	0.4
239.07050	1.3
241.08531	0.5
249.08995	0.4
251.07053	100.0
252.07359	2.7
253.08612	12.0
254.08937	0.6
255.10243	0.5
269.08093	1.3
277.09039	0.4
287.10757	2.3
291.10165	0.7
293.11633	0.7
303.13806	0.7
305.11789	1.0
309.11404	0.5
312.11459	0.5
313.12109	0.4
328.82788	0.4
331.13086	0.6
335.12589	0.4
355.16821	0.7
373.18008	4.4
383.66449	0.4
391.11835	2.1
391.19116	12.9
391.24261	0.5
391.29950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1904
Annotation	Lespeol
Peak:m/z	Relative Intensity
53.03946	1.0
55.01882	1.5
55.05501	1.2
56.96556	1.7
57.07079	0.9
61.21461	1.0
61.62416	0.8
65.03920	2.0
67.05507	7.1
69.07069	4.5
69.47417	0.8
71.36960	1.8
79.05500	4.3
81.07060	6.1
83.01299	1.0
88.77762	0.8
91.05486	83.0
92.05818	1.2
93.03362	1.4
93.07047	2.3
95.04970	2.3
95.08607	2.2
103.05453	4.2
105.03405	3.0
105.07047	5.2
107.04973	1.0
107.08612	3.4
109.06498	2.1
109.10152	14.3
115.05482	1.9
117.06987	1.2
121.02875	2.3
121.10142	7.2
128.06265	1.8
129.06979	1.6
131.04971	2.2
133.10129	3.6
135.04514	1.1
141.06949	2.7
143.08527	1.2
147.04401	4.5
149.02339	8.3
151.11116	0.9
152.06189	0.9
153.06918	1.9
157.06516	1.2
159.04442	10.6
161.06023	1.4
163.03944	2.4
165.07018	2.5
166.07790	1.2
167.03412	5.3
167.08621	1.5
169.06467	1.0
173.05933	1.7
175.03909	17.0
175.07460	1.1
178.07794	2.7
179.08562	9.6
181.06436	2.0
183.07988	1.7
185.06023	0.9
187.03928	14.8
189.05444	1.8
191.08598	1.1
197.05962	1.1
197.09627	2.2
199.07564	2.9
201.05493	1.5
203.07002	2.7
207.08017	3.9
210.06764	2.3
211.07545	5.1
219.08115	1.3
225.09079	12.2
235.07576	9.5
237.09058	1.5
239.06993	1.9
241.08624	2.4
251.07048	7.0
253.08607	100.0
254.09027	2.4
257.08069	3.3
263.10587	1.0
265.08603	18.2
267.10141	2.7
269.08176	4.3
271.09622	1.3
277.08710	1.2
279.10126	2.6
281.08163	1.8
281.11328	1.0
291.10101	3.7
305.11630	1.0
309.11264	6.3
317.11630	3.3
331.13242	4.7
333.14667	1.7
335.12793	20.3
373.18008	20.5
391.11487	24.1
391.18985	32.7
392.11874	1.4
392.19302	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1905
Annotation	lespeol
Peak:m/z	Relative Intensity
53.77926	0.8
55.05514	1.1
65.03933	1.9
67.05500	3.6
69.07072	5.4
70.10464	1.8
70.10857	2.1
79.05492	4.3
81.07066	4.8
83.01344	1.3
85.93844	0.8
91.05486	100.0
92.05834	1.1
93.07043	3.2
95.04977	1.3
95.08601	2.5
103.05466	3.9
105.03393	1.7
105.07037	15.6
107.04934	1.6
107.08599	6.2
109.06490	2.0
109.10147	3.8
115.05478	0.9
117.07034	0.8
121.10143	4.3
123.11715	2.3
128.06323	1.3
129.07071	1.7
131.04962	1.3
133.06577	0.9
133.10136	3.7
135.04437	2.2
141.07013	3.3
147.04427	4.4
149.02376	5.0
151.11157	1.3
153.06937	1.2
155.08539	1.2
161.06006	3.3
163.03920	4.4
165.01904	1.2
165.06969	2.1
167.08562	2.4
169.10074	1.5
171.07996	1.1
173.05995	1.7
175.03922	15.9
178.07773	3.4
179.08600	9.4
181.06593	1.1
182.07304	1.2
183.08044	2.3
185.06004	1.2
187.03955	1.5
187.07576	1.8
189.05457	3.9
197.06018	2.1
197.09668	2.1
198.51685	0.8
199.07587	3.3
201.05571	1.5
201.09093	1.3
203.06979	1.5
205.04884	1.4
207.08054	5.2
210.06830	2.4
211.07584	5.5
213.09282	1.0
223.07484	1.6
225.09128	13.1
227.07040	1.7
235.07561	12.2
236.27496	1.0
239.07138	2.1
241.08556	4.6
251.06999	7.3
251.10863	1.0
253.08611	98.0
254.08952	3.0
255.10184	5.1
257.08038	1.1
261.09235	0.9
265.08545	1.1
267.10211	3.9
269.08069	2.8
271.09604	0.9
277.08600	2.6
279.10019	1.0
281.11707	1.2
291.10172	3.0
293.11743	1.9
295.09692	2.1
295.13092	1.5
303.13931	1.3
305.11722	4.6
309.11108	5.6
317.11682	4.2
323.12881	3.3
331.09818	1.9
331.13336	5.9
333.07455	1.6
333.14911	1.1
335.12936	5.2
338.92770	0.9
347.16367	1.3
359.08987	1.2
361.07037	1.5
363.19394	1.2
373.18011	28.5
374.18280	1.1
376.09283	1.7
391.11749	22.9
391.19028	55.0
392.19272	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	391.1178
Annotation	Isocelebaquinone
Peak:m/z	Relative Intensity
52.60012	0.3
56.96549	1.1
67.05493	0.6
69.03423	0.5
71.58378	0.4
78.01414	0.4
79.05491	0.4
81.07042	0.6
84.96028	0.3
91.05488	0.5
94.43471	0.3
97.02894	0.4
97.06569	0.4
98.97582	2.4
105.07002	0.7
107.08585	0.6
110.97570	0.3
116.98615	1.0
121.10151	0.4
129.06970	0.4
133.10201	0.3
145.10136	0.6
149.02345	1.9
149.05977	1.9
158.07324	0.3
161.05923	0.3
163.03951	0.5
177.05496	1.2
185.06035	0.9
187.03882	2.6
189.05423	0.4
193.05031	0.4
205.04979	2.7
219.01733	0.9
231.07986	0.5
237.02837	1.0
248.08450	0.6
255.06564	1.2
256.06860	1.0
259.07593	0.5
273.09210	0.4
275.07059	1.1
276.07846	1.6
277.08560	0.9
283.05957	0.5
284.06708	0.4
287.07025	0.9
288.07837	0.4
289.05164	0.3
289.08554	0.5
290.05655	0.4
291.10400	0.5
298.41119	0.3
301.08575	1.9
302.09360	0.6
303.06537	1.7
304.07294	1.6
305.07996	3.2
315.06665	1.1
316.07547	0.4
317.08118	1.4
318.05237	0.5
319.06351	0.7
319.09567	2.6
320.10187	0.4
329.08203	2.5
331.05991	1.2
331.09668	0.7
332.06830	2.7
333.07550	7.8
334.08057	0.5
343.06033	0.8
345.11237	1.0
347.09207	5.9
347.13181	0.6
348.09839	1.7
359.09241	1.8
360.06046	1.0
361.07095	13.9
362.07541	0.5
363.12372	2.5
373.10840	3.7
375.08563	2.4
376.09467	7.5
391.11789	100.0
392.12112	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	391.118
Annotation	Isocelebaquinone
Peak:m/z	Relative Intensity
50.44905	0.2
51.21173	0.2
52.62554	0.3
55.05509	0.3
67.02336	0.2
67.05494	0.4
69.49728	1.8
71.25694	0.2
79.05499	0.5
81.07047	0.5
91.05485	1.4
93.07030	0.3
95.08583	0.5
97.06556	0.4
98.20762	0.5
105.07030	0.5
107.08567	0.6
109.06487	0.3
109.10139	0.3
110.42334	0.2
119.08615	0.4
121.10122	0.4
129.07005	0.6
131.08519	0.3
131.46002	0.2
145.10150	0.2
149.02338	0.7
149.05995	2.0
151.03815	0.4
156.85884	0.2
159.11761	0.3
161.02261	0.5
161.05969	0.3
163.03931	0.5
175.07593	0.3
177.05536	1.1
177.12738	0.3
184.05283	0.2
185.05984	1.1
187.03902	2.8
189.01814	0.5
191.07050	0.4
205.04982	2.3
231.08003	0.6
232.20941	0.2
233.04338	0.3
234.06805	0.3
235.07559	0.5
241.31998	0.2
247.07681	0.3
247.20528	0.4
248.08362	0.4
253.08606	0.8
259.07571	0.6
261.08975	0.4
264.23392	1.3
265.05096	0.3
273.09167	0.5
274.09796	0.3
275.06998	0.8
276.07877	1.5
277.08633	0.8
281.04547	0.3
287.07047	1.0
288.07816	0.7
289.05240	0.3
289.08505	0.6
290.05814	0.4
291.06726	0.3
301.08713	1.4
302.09271	0.3
303.06567	2.0
304.07254	1.6
305.08051	3.2
309.07666	0.3
309.11041	0.3
310.08173	0.3
313.10730	0.4
315.06546	0.9
316.07370	0.6
317.04562	0.4
317.08102	1.2
318.05249	0.9
318.08594	0.3
319.06143	0.5
319.09656	2.3
320.10519	0.4
329.08112	1.8
331.05988	1.6
331.09607	0.5
332.06772	3.3
332.10303	0.4
333.03659	0.4
333.07587	7.7
334.08112	0.4
341.10181	0.5
342.10471	0.4
343.06134	0.6
344.06726	0.3
345.07474	0.5
345.11221	0.8
347.09189	7.0
348.09860	1.7
357.07574	0.7
358.08286	0.7
359.09286	1.8
360.06158	0.6
361.07077	13.6
362.07648	0.5
363.12207	3.1
373.10730	4.8
373.28452	1.7
375.08643	2.6
376.09424	6.2
385.06357	0.3
391.11780	100.0
391.29272	2.4
392.12180	2.4
409.09900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05508	0.8
56.56623	0.4
60.73708	0.3
68.05015	0.4
69.03417	0.7
69.07072	0.5
71.49793	0.4
79.05501	4.9
79.70135	0.3
80.05040	1.6
81.03415	0.6
81.05810	4.8
81.07058	3.1
82.06581	0.5
85.02896	0.8
87.00829	0.3
93.07039	0.3
93.21044	0.3
94.06577	1.0
95.04961	1.4
96.04504	0.4
96.05296	0.4
96.08138	17.6
97.06513	0.5
106.06561	2.7
107.04961	0.5
107.08627	0.4
109.10149	0.4
124.07599	100.0
125.06003	1.5
125.07928	1.1
134.10503	0.5
142.08638	0.8
155.11737	0.3
165.83144	0.3
174.13560	0.5
192.14668	0.5
202.74466	0.3
209.15282	0.4
210.15787	0.8
228.17101	0.3
260.94452	0.3
297.63583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39460	0.3
53.03949	0.7
53.22010	0.4
55.01882	0.4
55.05512	1.1
57.03425	0.4
67.05511	0.4
68.05038	0.5
69.03437	1.5
69.07071	1.5
69.73253	0.3
70.06592	1.6
71.04980	0.4
71.56413	0.5
72.08148	0.6
79.05496	6.3
80.05017	1.6
81.03423	1.3
81.05804	5.8
81.07063	3.1
82.02943	0.6
82.06580	0.6
83.04973	0.5
84.08161	0.5
85.02905	2.6
85.06546	1.6
86.09711	1.3
87.00854	0.7
91.05479	0.8
93.07033	0.4
94.06562	1.2
95.04978	1.0
95.08596	0.5
96.04508	0.4
96.05280	0.5
96.08138	18.4
97.02877	0.5
97.06598	0.5
99.04487	0.5
102.09173	0.6
105.01897	0.4
105.04595	0.4
105.07009	0.5
106.06548	3.1
106.07208	0.7
107.04960	10.0
107.08604	0.4
109.02879	1.3
111.04417	0.6
119.18575	0.4
121.06506	0.7
124.07603	100.0
125.07919	1.6
127.03928	1.5
131.04948	0.6
131.08597	1.1
132.08905	0.7
142.08621	1.0
146.08163	0.7
146.94252	0.4
149.09648	0.8
153.05495	0.5
163.07614	0.3
165.97748	0.4
184.09735	1.1
192.10980	0.6
209.11746	0.5
210.12117	0.7
228.12704	0.6
238.10722	0.4
390.21268	1.2
391.08270	1.0
391.19376	1.2
414.19946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01857	3.3
56.96571	50.5
57.03422	9.8
61.02917	5.5
65.60719	2.9
68.30986	2.4
69.03431	28.6
69.39634	19.5
70.06596	28.5
71.05005	6.2
72.08147	6.8
73.02913	9.3
81.03409	9.0
83.01366	2.5
84.04503	8.0
84.08142	6.4
84.96030	11.1
85.02908	46.0
85.06570	2.5
85.34302	2.4
86.09724	15.1
87.04462	6.9
91.03938	3.7
97.02895	28.9
98.20650	4.6
98.97585	100.0
99.04409	3.2
101.02438	3.5
102.05555	5.6
102.96912	3.5
103.03957	3.4
109.02905	5.7
110.05982	2.9
110.07125	3.4
110.97569	17.9
112.07594	16.5
112.99143	9.1
116.98625	36.0
121.06515	3.4
122.02414	18.8
124.03930	4.5
124.07556	4.2
125.02354	6.1
127.03912	12.8
128.98599	17.9
130.08664	10.4
131.00165	8.9
134.99655	7.7
136.07628	4.9
137.05966	7.8
138.05487	2.7
139.70033	3.0
140.00191	4.6
140.03404	10.7
140.07068	14.5
143.00165	10.3
143.03406	5.6
144.98068	3.5
145.01697	2.8
145.04999	5.5
146.99623	7.2
147.04396	3.7
149.01237	9.3
155.04665	5.7
156.03336	19.4
158.99652	22.1
159.03201	4.3
161.01224	7.1
168.03355	15.5
170.99643	8.3
173.01289	2.7
174.04390	16.0
174.11017	2.5
175.02762	4.1
177.00743	19.7
177.04311	8.0
186.04390	56.7
187.02751	4.8
188.05945	4.7
189.00668	3.4
191.02199	3.6
194.94556	3.0
196.06036	4.9
201.00677	3.3
203.02153	3.4
204.05482	30.2
210.04437	9.4
211.05113	3.5
212.06210	4.4
214.03854	5.3
214.07133	11.6
219.01785	28.5
219.05272	4.1
220.02156	2.9
227.06842	15.6
228.05399	40.1
228.08791	5.6
232.05003	6.9
236.05066	5.8
237.02811	39.1
240.05536	3.1
241.06590	3.0
242.07115	5.1
243.13545	4.1
246.06523	19.7
258.06433	3.7
260.04517	3.3
261.02878	5.9
270.06479	4.8
276.07620	4.4
295.06995	4.6
299.59305	3.1
302.17197	3.1
303.07413	3.2
321.08548	6.2
330.01807	5.8
330.08566	35.4
344.18503	2.7
348.02768	3.5
348.09668	28.8
349.08020	12.6
367.09290	15.8
390.10690	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	389.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.8
67.05507	1.5
69.07076	0.7
70.21561	1.6
79.05490	0.6
81.07055	1.0
91.05488	84.0
92.05828	0.8
93.07053	1.3
95.08617	0.5
96.31505	0.3
97.52863	0.3
97.54036	0.3
98.20762	0.4
103.05470	1.3
105.03413	2.0
105.07036	0.9
107.08616	0.6
109.10169	2.0
115.05476	0.9
131.04918	1.9
135.11685	0.8
141.07062	0.8
153.06998	1.3
159.04440	1.5
165.06985	2.6
166.07762	3.9
167.08562	0.6
175.07617	0.5
177.05533	0.6
178.07784	2.1
179.08575	3.4
180.09329	0.4
180.39729	0.4
181.06554	0.7
181.10144	3.4
189.05472	8.2
190.07736	0.8
191.08580	3.5
193.10077	0.5
193.96716	0.4
194.07280	3.4
195.08168	0.7
203.07028	0.9
206.07375	0.5
207.08107	1.7
208.08865	0.7
209.09572	4.7
211.07394	0.5
211.11275	1.1
213.09190	0.7
219.08093	2.0
224.08318	1.2
235.07626	0.6
237.09138	6.0
239.10718	3.5
249.09123	1.8
251.07050	0.5
255.10106	0.9
265.08795	0.6
267.10181	100.0
268.10526	2.5
281.11713	0.9
285.11227	1.3
291.10126	0.4
309.14935	0.5
333.14731	0.7
389.21155	33.3
390.21466	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
52.48848	3.3
56.93190	3.9
57.91338	3.7
59.36439	3.6
67.05504	7.7
69.03429	5.8
69.07034	4.2
70.99967	8.5
71.04983	12.0
79.05456	4.4
81.03421	4.9
81.07062	12.1
83.05003	4.4
85.02926	26.7
85.06527	11.1
86.09737	4.2
91.05476	5.7
93.07034	22.3
95.04974	100.0
95.08607	6.2
97.02890	7.1
97.06553	11.2
99.04462	29.0
99.08102	14.3
105.07021	10.0
107.08614	24.4
109.06533	5.2
109.10174	48.7
115.07548	6.5
119.08546	8.4
121.10143	10.8
123.11713	19.6
131.08563	12.0
133.10152	96.2
139.11177	8.2
145.04936	4.5
147.11815	3.8
149.13237	8.2
151.11197	21.7
153.09135	43.4
158.10895	8.0
163.14778	3.9
169.12260	12.9
173.13255	38.7
191.14317	37.2
209.15379	95.8
226.46513	3.9
227.16405	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	389.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33530	0.5
55.05510	1.1
65.03935	1.6
67.05511	3.2
69.07065	2.1
69.99049	2.8
79.05497	1.8
81.07072	3.4
91.05487	89.9
92.05811	1.0
93.07058	1.9
95.04955	0.8
95.08607	1.8
102.33746	0.6
103.05474	2.6
105.03409	2.8
105.07045	2.2
107.08608	2.1
109.10166	3.6
115.05457	1.2
121.10149	0.8
131.04924	3.2
131.08597	1.1
135.11676	0.8
137.09697	0.6
141.07030	0.6
149.05927	0.5
153.07005	1.4
159.04443	1.3
161.05959	0.9
165.06975	3.6
166.07790	5.4
167.08536	1.5
175.07504	0.9
177.05464	1.4
178.07826	1.9
179.08588	5.7
181.06561	1.0
181.10126	3.2
183.08138	0.7
189.05484	10.3
189.07063	1.0
190.07782	0.9
191.08582	3.9
193.10083	0.7
194.07234	3.5
195.07919	0.9
203.07065	1.8
207.08080	2.1
208.08749	1.1
209.06053	0.7
209.09641	5.2
211.07489	0.6
211.11217	1.6
213.09097	0.8
219.08055	1.8
224.08391	1.3
227.10725	0.7
231.10194	1.0
235.07660	1.0
237.09062	6.5
239.10704	4.1
249.09058	1.8
251.07103	2.2
253.08620	0.8
255.10153	1.9
265.08780	0.8
267.10181	100.0
268.10410	2.9
281.11639	3.3
285.11279	1.1
295.13367	0.7
307.13181	0.8
309.14819	4.5
321.14899	1.3
333.14972	3.7
389.21179	37.9
390.21475	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	389.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07131	2.7
51.72597	2.8
52.10081	2.7
53.03944	4.8
53.47540	2.7
54.09576	3.0
55.05509	3.9
55.12463	2.8
57.21595	2.7
58.07129	3.1
58.39618	2.8
63.19927	2.8
67.05517	16.8
69.03429	6.6
69.07061	5.5
69.73208	21.3
70.06580	8.4
71.04989	9.2
72.08167	3.5
79.05492	20.3
81.03403	4.8
81.05811	5.3
81.07049	11.8
83.04984	5.1
84.08159	4.3
85.02905	11.4
85.06548	53.1
86.09708	15.6
89.06042	5.9
91.05486	15.8
93.07039	11.9
95.04991	17.0
95.08601	6.7
96.08141	20.8
96.59441	3.0
97.02876	7.9
97.06530	4.2
99.04451	5.9
99.08081	8.0
103.05469	16.3
105.07047	12.6
107.04957	15.6
107.08614	18.1
109.06515	8.3
109.10170	6.3
111.04427	9.0
111.05559	3.4
117.07018	4.9
119.08602	12.5
121.06500	6.9
121.10133	13.7
123.08087	4.4
123.11749	5.0
124.07597	100.0
125.06037	3.5
127.03875	6.8
129.07013	5.4
131.04938	33.7
131.08595	35.6
133.08601	4.0
133.10139	13.6
137.05975	5.2
137.09651	4.0
145.06488	3.2
145.10153	19.0
149.09625	30.8
153.05508	3.5
153.09065	6.2
163.07489	16.4
163.11174	11.2
165.09099	6.3
167.07051	5.6
167.10669	17.6
169.12221	2.9
173.09636	4.0
173.13242	8.2
182.04491	3.2
191.10667	35.3
191.14339	7.8
192.07629	3.1
209.11732	48.3
209.15364	13.5
227.12746	36.5
227.16306	4.2
239.08202	2.9
254.41057	3.1
339.09720	3.7
389.13815	11.5
389.18213	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	389.1805
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.07131	2.7
51.72597	2.8
52.10081	2.7
53.03944	4.8
53.47540	2.7
54.09576	3.0
55.05509	3.9
55.12463	2.8
57.21595	2.7
58.07129	3.1
58.39618	2.8
63.19927	2.8
67.05517	16.8
69.03429	6.6
69.07061	5.5
69.73208	21.3
70.06580	8.4
71.04989	9.2
72.08167	3.5
79.05492	20.3
81.03403	4.8
81.05811	5.3
81.07049	11.8
83.04984	5.1
84.08159	4.3
85.02905	11.4
85.06548	53.1
86.09708	15.6
89.06042	5.9
91.05486	15.8
93.07039	11.9
95.04991	17.0
95.08601	6.7
96.08141	20.8
96.59441	3.0
97.02876	7.9
97.06530	4.2
99.04451	5.9
99.08081	8.0
103.05469	16.3
105.07047	12.6
107.04957	15.6
107.08614	18.1
109.06515	8.3
109.10170	6.3
111.04427	9.0
111.05559	3.4
117.07018	4.9
119.08602	12.5
121.06500	6.9
121.10133	13.7
123.08087	4.4
123.11749	5.0
124.07597	100.0
125.06037	3.5
127.03875	6.8
129.07013	5.4
131.04938	33.7
131.08595	35.6
133.08601	4.0
133.10139	13.6
137.05975	5.2
137.09651	4.0
145.06488	3.2
145.10153	19.0
149.09625	30.8
153.05508	3.5
153.09065	6.2
163.07489	16.4
163.11174	11.2
165.09099	6.3
167.07051	5.6
167.10669	17.6
169.12221	2.9
173.09636	4.0
173.13242	8.2
182.04491	3.2
191.10667	35.3
191.14339	7.8
192.07629	3.1
209.11732	48.3
209.15364	13.5
227.12746	36.5
227.16306	4.2
239.08202	2.9
254.41057	3.1
339.09720	3.7
389.13815	11.5
389.18213	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	389.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65942	0.6
52.12722	0.5
53.03940	0.6
55.01876	0.9
55.05509	1.4
56.96569	0.8
65.03925	1.0
67.05508	3.9
69.03429	2.7
69.07062	1.9
69.24989	2.3
69.25424	3.1
69.65267	0.5
71.04987	0.6
79.05486	2.6
81.07062	4.8
83.08664	0.6
91.05490	10.2
93.07050	2.7
95.04944	1.4
95.08629	2.8
97.06515	1.0
97.10172	0.6
97.78816	0.6
98.21439	1.3
99.08076	0.6
103.05504	1.1
105.03413	3.1
105.07052	3.6
107.08602	4.3
109.06525	2.3
109.10175	5.7
115.05472	1.4
117.07033	0.6
119.08585	3.5
121.06519	0.7
121.10157	2.1
123.08058	1.1
123.11704	0.7
125.09617	1.4
129.07004	1.7
131.04947	1.3
131.08540	1.5
133.10146	2.8
135.08075	1.5
135.11723	0.9
137.09616	2.4
141.07011	3.3
143.08514	1.4
145.06487	0.6
145.10127	0.9
147.04391	0.7
147.11693	0.9
149.02370	0.9
149.09618	0.6
151.03902	1.4
151.11188	1.5
152.06232	4.7
153.05458	0.7
153.07016	0.5
155.04825	0.8
157.10110	1.2
159.08102	0.6
159.11729	0.5
161.05997	0.8
165.01854	2.1
165.06981	4.0
166.07805	1.7
167.03424	1.6
167.08592	8.4
169.06480	0.8
171.11760	0.7
172.16673	0.5
173.06009	0.7
173.13255	0.6
175.07552	0.6
175.09637	0.5
176.06232	1.0
177.07019	3.0
178.07805	2.1
179.08609	1.4
181.06430	1.3
183.02890	0.8
183.08052	1.0
187.03876	0.8
191.03328	0.6
195.08040	4.9
197.05992	10.5
201.05475	0.9
203.07014	2.0
205.04951	0.8
205.06543	1.0
207.07977	1.6
211.07520	1.3
219.08052	0.8
223.07535	10.9
229.05025	0.7
231.03172	0.7
235.07513	4.6
239.07050	2.2
243.06625	0.9
247.07719	0.6
251.07060	100.0
252.07484	1.6
253.08546	6.5
253.10689	0.6
257.08081	2.1
263.06976	1.2
265.08643	1.3
267.06503	1.1
267.10123	1.6
269.08154	2.3
275.10513	1.0
275.18314	0.6
287.10696	2.2
289.08606	0.9
291.10196	2.3
300.11487	0.8
301.12247	2.5
303.09866	1.5
305.11694	2.0
315.10022	0.8
321.11005	0.9
329.11865	1.1
343.17041	0.8
347.16525	0.9
353.15265	1.4
371.16373	6.9
373.48056	0.6
389.17453	20.2
389.22879	5.8
390.17838	0.7
410.62933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
62.35085	0.7
65.03941	5.9
67.05505	1.7
68.71832	0.7
69.03420	1.5
71.01290	1.3
79.05482	1.2
81.03430	1.2
81.07045	2.6
84.08146	2.7
85.02899	1.9
85.06541	1.5
91.05490	1.2
92.05005	3.0
93.07034	1.2
95.04961	3.0
95.08606	1.6
96.08135	1.5
99.04438	3.1
99.08109	0.7
105.07043	1.8
106.06541	1.0
107.08588	1.9
109.06461	1.3
109.10123	2.2
116.04975	1.9
119.08575	1.1
120.04461	5.1
121.10153	0.8
122.06068	0.8
123.11710	1.2
124.30741	0.7
127.03979	1.0
131.08545	0.7
133.10146	3.7
134.06021	5.3
136.03989	1.0
144.04460	3.0
144.08101	1.2
145.89183	0.8
146.80199	0.7
148.03943	67.2
151.11206	1.4
152.07069	10.9
162.05528	1.3
166.05000	9.7
169.12294	0.8
170.08377	3.5
170.56891	0.7
172.03947	12.3
172.07703	1.0
173.13293	1.8
180.06572	10.0
183.09236	1.1
184.09947	4.0
185.10747	4.4
188.07021	0.8
190.05023	6.8
191.14304	1.6
198.07918	5.4
204.06554	15.5
209.15344	3.0
211.08672	0.8
212.09431	7.7
213.10242	9.6
222.04092	1.0
226.56976	0.7
227.16469	1.4
240.08899	3.8
241.09744	25.9
265.09760	2.3
267.11349	1.0
269.09235	52.8
270.09525	0.9
279.07773	0.8
283.11057	1.3
287.10382	4.6
293.09131	2.4
297.08725	2.8
300.11044	1.3
311.10342	1.5
315.09769	100.0
316.09973	3.5
321.08524	0.8
333.10849	3.7
339.09811	3.5
357.10867	11.2
389.13498	3.4
389.20074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1749
Annotation	Isoerythrin-A 4'-(3-methylbut-2-enyl)ether
Peak:m/z	Relative Intensity
52.47449	1.0
53.00284	1.0
55.05505	1.2
67.05507	3.9
69.03422	1.2
69.07073	100.0
70.15999	3.5
79.05476	1.5
81.07067	1.8
82.38718	1.1
91.05501	7.5
93.07033	1.9
95.08608	2.9
103.05458	6.9
105.07051	4.2
107.08609	1.5
109.06541	1.3
109.09408	1.0
109.10160	2.4
119.08587	2.8
121.06511	1.7
131.04936	19.4
131.05923	1.0
131.98094	1.0
133.06482	1.4
160.05238	1.6
161.06018	2.5
165.01846	2.9
188.04678	1.5
189.01874	1.4
189.05522	6.9
195.38048	1.1
203.03459	3.2
215.06950	1.8
216.04161	8.7
217.04976	38.2
229.05090	1.7
234.05217	2.1
243.06642	2.4
251.07114	5.1
267.10175	2.2
269.08075	1.4
285.11249	5.8
307.09619	3.2
320.10385	4.4
321.11234	94.0
322.11469	1.4
333.10895	1.3
356.70825	1.1
389.17484	16.7
389.21970	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1235
Annotation	Cimiracemate C
Peak:m/z	Relative Intensity
55.01868	3.9
55.05502	5.8
56.96575	5.4
66.90105	2.7
67.05502	4.4
69.03439	5.5
69.07072	5.6
70.97086	4.8
70.97430	3.0
78.90427	2.3
79.05489	6.9
81.03406	3.2
81.07059	8.2
83.04957	2.2
83.08618	3.3
85.02914	12.3
91.05449	5.0
93.07047	5.9
95.04987	5.3
95.08615	7.1
97.02885	2.7
98.97588	12.8
103.05468	3.6
105.07053	6.7
107.04961	2.4
107.08609	7.6
109.02868	3.3
109.06516	4.2
109.10168	4.6
112.80344	2.5
113.30079	2.0
116.98641	4.5
119.08582	5.6
121.06513	20.9
121.10140	3.2
123.11694	2.0
129.07054	2.6
131.04962	4.0
133.10126	2.9
135.11638	3.3
137.05977	6.3
145.10149	2.6
147.11699	3.1
149.05997	10.0
151.03874	15.1
157.10088	2.4
158.99715	2.9
159.11674	3.2
165.05319	2.1
167.03429	4.4
167.07022	5.3
169.04965	7.2
177.00665	2.8
177.05475	77.9
181.05020	7.6
182.05757	7.7
184.07312	6.5
189.90880	2.2
193.04973	7.0
205.04977	100.0
209.08159	2.8
329.10153	4.9
339.08679	4.3
348.22845	3.5
357.09891	7.0
359.07510	3.1
389.12244	20.2
389.25143	12.8
389.29684	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76479	0.4
53.03942	0.5
67.05504	0.7
69.07069	0.6
70.69771	0.5
70.70136	1.5
79.05484	0.6
79.58632	0.5
81.03439	0.7
81.07047	0.8
91.05466	1.6
95.04962	2.3
95.08549	0.5
97.06557	0.8
109.02879	1.7
121.06510	20.7
123.04414	3.0
124.05186	1.5
125.05961	0.6
125.71560	0.5
131.08521	1.1
134.03700	0.7
135.04370	0.5
140.04674	1.1
141.05441	1.7
149.05971	4.7
151.03909	1.1
155.07040	2.7
162.03143	1.4
167.03323	0.5
169.04971	8.7
177.05479	66.0
178.05983	0.7
183.06552	4.5
184.07336	10.7
203.07021	0.7
205.04974	100.0
206.05594	2.2
214.10426	0.5
273.12283	0.6
389.24734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1233
Annotation	Cimiracemate C
Peak:m/z	Relative Intensity
53.03938	2.4
55.01855	2.8
56.96571	3.1
65.03915	3.4
67.05490	7.0
69.03440	2.0
69.07079	4.5
71.14336	2.5
71.14636	2.8
72.32813	1.7
79.05481	7.4
81.03408	7.1
81.07066	11.0
85.02959	2.4
91.05465	7.1
93.07036	11.0
95.04974	16.0
95.08607	6.5
97.02892	1.9
97.06536	1.9
98.97575	5.4
99.04430	2.3
100.07642	2.2
103.05457	3.8
105.07034	8.6
105.49065	2.1
107.04939	6.4
107.08588	5.7
109.02865	8.3
109.06543	4.9
109.10139	4.3
110.03626	2.1
111.04429	3.2
119.08594	3.5
121.02805	2.0
121.06483	10.0
121.10101	3.0
123.04447	30.5
123.08053	2.7
124.05206	12.8
125.02319	3.3
125.09628	2.2
126.03148	2.3
129.06978	3.7
131.04924	2.5
131.08519	2.7
133.10149	3.4
135.04475	2.7
137.02333	15.3
137.05977	6.5
138.91821	1.9
139.03891	3.0
140.04652	12.3
141.05423	8.1
145.10109	3.4
147.04419	4.3
149.09544	2.0
151.03893	4.3
153.05566	2.1
155.05893	3.2
155.07051	31.1
157.94696	2.1
160.05209	3.7
160.09050	1.8
161.13033	2.5
162.03079	4.3
163.03894	7.3
165.09160	4.2
167.03435	14.7
167.07013	3.5
169.04964	38.6
171.11684	2.4
176.04581	2.0
177.05476	100.0
179.03493	2.2
181.04994	2.5
182.05743	23.8
183.06537	65.8
184.07315	56.9
184.08969	3.4
188.04677	3.6
191.03444	4.6
193.04964	14.5
197.08078	6.2
197.13370	2.6
203.07080	6.6
205.04990	53.5
206.05708	4.7
281.04413	2.2
299.05612	4.5
325.06995	8.4
327.05148	5.9
343.11942	2.3
357.09723	7.7
359.07587	3.4
389.12289	67.9
389.23456	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.123
Annotation	Cimiracemate C
Peak:m/z	Relative Intensity
53.03951	0.9
56.96567	1.6
64.88110	0.8
67.05499	2.2
69.03426	1.1
69.07059	1.4
69.79455	2.0
69.79874	3.0
79.05512	1.7
81.07066	1.8
85.02901	1.0
91.05476	2.4
93.07061	1.4
95.04967	1.7
95.08595	1.5
105.06973	1.3
107.08590	1.3
109.02880	1.5
111.04483	1.2
116.94064	0.8
121.06509	22.9
121.95943	0.9
123.04487	1.2
124.05175	0.9
125.09623	1.0
131.04971	0.9
134.03659	0.9
135.04373	1.3
137.06013	2.5
139.03896	2.8
141.05423	1.4
147.81981	0.8
149.05952	6.5
151.03874	7.3
153.05470	1.1
155.07104	1.3
160.05414	0.8
161.09583	1.0
162.03139	1.4
165.09106	1.3
167.03407	22.9
169.04987	8.2
170.05789	1.3
177.05478	85.8
179.07043	1.0
182.05759	40.5
184.07324	6.2
188.44821	0.9
193.04955	11.3
197.08115	12.7
203.07050	1.1
205.04968	100.0
206.05481	3.3
269.08197	1.5
271.05933	1.4
284.06647	1.3
285.07718	1.5
299.05627	2.8
299.09070	1.2
313.07214	2.4
314.07870	1.0
326.04376	1.4
329.10248	2.7
339.08649	1.5
341.06476	4.8
359.07556	10.3
368.11331	1.5
374.10098	3.0
377.11557	2.1
389.12329	88.4
390.12512	2.7
406.35059	0.9
413.15744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76479	0.4
53.03942	0.5
67.05504	0.7
69.07069	0.6
70.69771	0.5
70.70136	1.5
79.05484	0.6
79.58632	0.5
81.03439	0.7
81.07047	0.8
91.05466	1.6
95.04962	2.3
95.08549	0.5
97.06557	0.8
109.02879	1.7
121.06510	20.7
123.04414	3.0
124.05186	1.5
125.05961	0.6
125.71560	0.5
131.08521	1.1
134.03700	0.7
135.04370	0.5
140.04674	1.1
141.05441	1.7
149.05971	4.7
151.03909	1.1
155.07040	2.7
162.03143	1.4
167.03323	0.5
169.04971	8.7
177.05479	66.0
178.05983	0.7
183.06552	4.5
184.07336	10.7
203.07021	0.7
205.04974	100.0
206.05594	2.2
214.10426	0.5
273.12283	0.6
389.24734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87494	5.7
56.96548	14.4
57.07066	6.8
58.75255	5.4
60.05662	5.8
63.05811	5.3
69.07027	6.0
70.81710	6.0
79.05487	9.2
81.03414	21.6
81.07043	12.5
81.60206	6.6
85.02914	8.0
91.05467	7.7
93.07030	11.5
95.08583	11.4
97.06488	7.8
98.97586	16.0
105.07059	10.2
107.08598	9.3
109.02882	9.3
109.10175	7.3
116.98625	9.5
121.10134	6.4
133.10028	6.3
151.03879	7.2
151.52982	5.5
177.00668	6.5
177.05582	8.8
187.92326	6.3
203.07039	100.0
205.04962	17.0
206.06879	6.1
311.08868	11.0
337.16562	5.7
343.11832	9.9
388.21350	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	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01878	7.2
57.03445	6.4
58.91965	0.8
61.02927	5.8
65.22940	0.9
68.99795	1.8
69.03434	31.9
69.42961	7.5
71.05004	4.7
73.02923	6.0
78.70229	0.8
81.03423	24.3
83.01366	1.3
85.02909	100.0
86.03235	1.8
87.00835	40.1
87.04482	1.5
88.18142	0.9
91.03969	1.2
97.02902	27.7
99.04469	12.3
101.02398	1.1
105.01875	64.6
105.07034	13.5
106.07336	1.5
108.04477	3.6
109.02890	26.3
115.03965	1.5
117.01839	3.5
119.08614	1.1
125.99549	0.8
126.05522	0.9
127.03924	68.0
129.01805	3.7
137.06020	1.4
145.04968	34.6
147.02974	2.1
147.11755	1.0
148.12007	1.0
159.02908	13.2
166.13110	1.2
171.02879	1.1
177.03944	1.0
177.05409	1.2
189.04010	3.1
207.13692	1.5
208.14130	2.7
213.03912	3.7
213.09053	1.5
230.06581	1.3
231.05014	22.6
232.40193	1.0
248.07762	1.6
249.06059	6.1
370.15549	0.8
388.15411	1.8
388.20117	1.1
390.21436	1.0
409.66891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01866	1.0
55.64996	0.3
57.03426	0.7
60.34167	0.4
61.02919	0.7
69.03426	4.0
70.06598	1.4
71.56506	0.5
72.08133	0.5
73.02910	0.5
77.03915	0.7
79.05492	4.6
81.03414	2.3
84.08166	0.6
85.02908	9.0
87.00826	4.2
91.05482	0.6
93.07068	0.5
95.04977	1.6
95.08593	0.7
97.02887	5.1
99.04461	1.5
103.05473	3.9
105.01879	9.1
105.07036	100.0
106.07373	1.1
108.04504	0.6
109.02912	2.2
109.10159	0.5
119.07110	0.4
119.08569	0.6
122.09679	0.7
123.08063	0.4
127.03922	8.4
127.04800	0.7
128.07185	0.4
129.06958	0.5
131.08595	0.7
137.05997	1.7
138.06351	1.0
145.04945	6.3
151.03995	0.5
152.07919	0.8
159.02917	0.7
167.07071	0.5
189.04065	0.4
195.08110	0.4
199.46829	0.4
208.14194	0.7
213.09166	0.9
226.05289	0.5
231.04962	2.4
249.06071	1.6
265.09818	0.8
293.09189	0.9
321.08688	0.6
339.09778	1.7
361.80270	0.4
388.14462	0.7
388.22885	0.6
389.13330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.1
55.01885	1.1
56.05032	1.1
56.96557	3.6
57.03446	5.4
59.04994	3.6
61.02918	1.4
67.05481	1.2
69.03427	8.9
69.07073	0.9
70.06588	3.0
70.13538	4.1
70.72421	0.8
71.01367	5.2
71.04977	3.4
72.08147	4.0
73.02915	2.4
77.62263	1.0
78.03462	6.9
80.05006	4.1
81.03397	2.3
83.06084	1.9
84.04515	5.4
84.08135	3.5
85.02427	1.9
85.02908	26.3
86.03197	1.1
86.09737	4.3
86.59943	0.8
87.04469	7.7
89.07154	1.1
91.69289	1.1
93.06993	0.9
94.06569	1.4
96.04483	2.9
97.02898	14.9
97.06505	1.1
98.20863	0.9
98.97589	5.3
99.00816	4.4
99.04453	3.2
100.16071	0.9
103.03912	1.6
106.02923	30.7
109.02886	1.5
110.06046	1.2
111.04443	2.5
113.02342	3.7
115.03897	2.0
116.98595	1.8
117.05489	1.1
120.04445	2.7
120.08105	3.0
120.99178	0.9
122.06059	5.1
124.03962	100.0
127.03931	3.7
128.08177	1.1
128.98595	0.9
129.06549	2.4
129.10272	1.8
131.03397	4.0
136.07559	2.3
137.05879	1.2
138.05505	5.3
138.09146	1.6
140.07074	7.4
141.01845	1.7
158.99649	1.5
164.07068	3.1
167.07039	1.1
169.04851	1.0
173.04459	1.3
177.00752	1.9
180.06569	26.0
182.08136	1.3
197.12807	1.2
198.07634	88.6
200.10384	1.6
201.00668	1.3
212.09138	2.7
219.01726	3.0
226.10616	1.6
232.05927	1.4
237.02841	3.8
301.23199	1.0
388.12222	4.3
388.16479	6.9
389.10788	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.0
55.01860	2.5
67.05487	2.3
69.03422	6.9
69.07071	3.8
70.06573	1.9
71.49137	3.1
72.08147	2.8
76.66840	1.5
79.05480	3.7
81.03419	3.1
81.07059	2.1
85.02907	12.9
87.00834	2.0
91.05476	3.4
93.07053	2.9
95.04934	2.1
95.08595	2.8
97.02863	5.0
98.97565	2.5
99.04443	2.9
102.33345	1.8
103.05435	1.8
105.01832	2.6
105.06385	2.7
105.07036	45.0
109.02856	4.4
109.10117	2.3
116.07089	2.1
119.08539	3.0
121.06516	2.3
121.10184	2.4
124.08387	1.9
127.03889	5.8
137.05971	6.3
138.06291	3.8
140.04938	6.3
145.04968	4.1
151.07506	4.1
152.07901	3.0
155.06046	19.9
156.10155	2.7
157.82716	1.9
164.11584	2.1
167.06007	8.0
167.07254	2.5
169.07619	44.6
170.05972	3.3
178.14439	1.7
179.06021	17.6
181.05139	2.1
181.07539	2.1
183.05539	20.7
183.09293	2.4
184.07545	2.3
185.07112	10.2
193.07608	15.9
194.05946	2.2
195.03925	3.7
195.05539	39.7
196.06294	16.4
197.07106	32.7
198.05510	6.8
205.07559	1.8
207.05518	8.2
207.13890	2.7
208.06360	4.2
208.14104	5.7
209.07060	3.3
211.05031	7.2
211.08672	6.2
213.06590	23.7
221.07115	26.3
223.04993	3.3
224.06046	2.3
225.06589	55.9
229.06120	17.1
237.06586	6.0
238.07272	4.6
239.04480	4.1
239.08154	30.2
241.06152	3.8
243.07664	5.1
249.06532	12.4
253.06131	14.7
255.07658	2.2
257.05487	4.8
265.06116	2.6
267.07642	22.6
269.05603	2.6
271.07220	31.5
277.06125	11.0
285.08716	40.9
295.07153	41.2
296.07428	2.1
313.08185	55.6
324.09866	4.0
328.09280	68.4
328.13242	3.7
331.09229	6.8
342.10831	2.3
370.10330	73.7
388.11356	100.0
391.15829	2.1
394.80441	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	387.2013
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03944	4.3
55.01870	6.3
55.05498	5.9
56.96571	3.3
57.03430	8.1
57.07064	2.7
61.02911	6.8
67.05508	9.1
69.03436	28.4
69.07056	9.2
69.93517	1.7
71.04977	5.9
71.57500	2.5
72.08148	3.3
73.02904	5.9
79.05493	13.7
81.03427	13.0
81.07079	11.2
83.04967	7.0
83.08585	3.4
85.02908	58.4
85.06551	3.9
87.04478	4.7
91.03942	2.6
91.05485	9.8
93.07041	8.5
95.04974	13.3
95.08616	11.9
96.08080	1.9
97.02889	26.5
97.06548	9.8
98.97566	3.4
99.04450	6.4
103.05479	5.2
105.04536	1.8
105.07042	20.5
107.04957	11.1
107.08611	13.6
109.02866	6.8
109.06521	12.6
109.10143	14.9
111.04440	2.7
111.08092	3.3
111.11743	2.9
115.05460	3.0
119.04954	1.9
119.08575	11.8
121.06504	6.5
121.10163	8.9
122.05996	3.7
122.07381	2.2
123.04452	4.2
123.08073	45.2
123.11691	2.9
124.05198	2.3
124.07545	2.5
125.05978	10.1
125.09632	3.2
127.03911	20.6
131.04932	6.4
131.08588	3.4
132.05679	2.2
133.06470	6.3
133.10141	10.5
135.08046	6.1
135.11656	3.6
137.05981	49.1
137.09612	3.3
139.11150	2.6
143.04964	3.5
143.08551	3.7
145.04933	16.9
145.10118	7.2
147.08049	3.5
147.11711	3.9
149.05974	3.0
149.09598	6.7
151.03842	3.4
151.07558	66.3
153.05547	3.3
153.09132	5.5
155.06033	2.2
159.11786	2.1
161.09637	6.0
161.13354	2.6
163.03854	2.1
163.11191	30.0
165.09114	4.2
165.12708	2.7
167.07047	27.1
169.07581	3.0
171.04204	2.0
171.11728	4.5
172.03906	5.2
173.06013	2.2
173.09541	2.3
173.13217	3.3
175.07513	2.9
175.11275	2.4
177.05499	4.2
178.07716	2.6
179.08510	2.7
181.04962	6.5
181.12254	24.7
189.12753	18.3
190.05038	3.9
191.07036	5.2
191.14388	3.6
192.11404	3.2
195.06580	4.6
202.07802	2.8
203.06982	4.5
204.06590	12.7
205.06651	3.9
206.07300	3.9
207.13806	100.0
208.14154	2.3
209.15314	4.4
215.06898	4.0
219.08083	4.3
225.06494	2.4
225.14876	18.1
231.08063	2.4
233.05962	3.9
233.08382	2.2
234.06804	3.5
245.06108	2.6
246.06870	2.4
247.07590	4.6
248.08142	2.4
249.09085	4.6
249.14862	4.6
251.06996	4.3
255.11206	2.2
259.07596	4.1
259.10684	3.3
262.06302	3.9
263.07153	2.7
276.07822	4.0
277.08633	7.6
279.10199	3.5
287.06946	4.2
291.10196	7.0
295.07095	2.5
301.11902	5.0
305.08215	13.3
307.09534	5.4
309.11331	2.9
313.08444	3.7
319.09662	6.1
319.12885	2.8
323.09064	2.2
325.11737	8.2
328.09326	3.2
337.10684	23.9
339.12393	8.4
351.12091	10.3
357.07614	4.8
357.13324	6.2
369.13315	7.6
370.10391	3.1
375.08563	6.9
387.14349	15.0
387.20056	31.7
388.11237	4.4
394.10648	2.3
395.09256	5.6
413.10120	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	Icariside B2
Peak:m/z	Relative Intensity
51.59206	0.9
53.03947	1.6
55.01892	1.8
55.05503	1.1
57.03437	3.4
57.07086	1.7
61.02928	2.2
67.05502	3.7
67.11770	0.7
69.03072	1.5
69.03434	22.2
69.07069	1.9
69.52225	0.9
69.52571	6.3
70.06595	1.7
71.01382	0.8
71.04995	1.6
72.08174	1.3
73.02924	2.5
75.79491	0.7
75.79922	0.7
77.91700	0.8
79.05508	2.4
81.03418	9.0
81.04485	1.0
81.07064	12.4
83.04998	1.4
84.08131	1.2
85.02911	100.0
85.06543	1.2
86.09711	3.4
87.04475	1.3
91.04012	0.9
91.05492	3.1
91.69836	0.9
93.07061	3.5
95.04964	2.1
95.08620	6.7
97.02914	8.8
97.06532	1.3
99.04447	3.9
105.03402	1.9
105.07029	7.0
107.08608	2.3
109.02879	2.9
109.06533	2.3
109.10163	12.5
109.10832	1.2
109.56924	0.8
111.04476	1.1
119.08572	5.5
120.97442	0.9
121.06505	1.0
121.10130	5.1
123.08078	5.7
123.11718	51.7
125.06004	51.2
127.03929	6.0
128.33498	0.9
131.08586	2.1
133.06538	1.5
133.10138	1.6
135.08043	1.0
137.06004	2.3
137.09697	1.0
139.07556	8.0
143.08601	1.1
145.05008	2.1
145.10121	2.9
147.08076	2.7
147.11705	7.2
149.09593	4.5
151.07538	9.7
156.09419	1.1
161.09645	1.5
161.13283	1.8
162.58519	1.1
163.11191	4.4
165.09068	0.9
165.12784	1.9
167.07077	2.4
167.10698	1.6
171.11748	2.3
172.27536	0.8
174.10541	1.0
179.00026	0.9
181.12312	2.0
187.11275	1.1
189.12746	10.2
207.13821	46.8
225.14870	70.2
226.15398	1.6
267.06696	1.1
268.07535	1.0
297.07584	1.5
321.20047	0.8
333.17078	4.9
351.18100	9.0
369.09726	0.8
369.19196	2.8
387.16327	3.5
387.20227	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
51.59781	1.4
53.03937	4.2
53.47562	1.5
55.01860	2.8
55.05505	2.2
56.96563	1.4
57.03439	7.4
57.07067	3.1
59.05008	2.4
61.02935	9.8
65.03961	1.7
67.05498	4.7
69.03437	28.2
69.07079	1.6
69.46324	11.6
70.06583	4.3
71.04980	4.8
73.02900	5.0
79.05476	6.4
81.03423	12.0
81.07063	8.3
83.04955	4.6
85.02912	70.6
85.06535	3.6
85.96261	1.5
87.04443	4.7
91.03944	5.4
91.05481	5.0
93.07041	5.7
95.04960	4.2
95.08601	8.5
97.02901	23.5
97.06509	6.7
99.04433	5.6
105.07052	8.7
107.04939	2.0
107.08591	5.0
109.02877	7.4
109.06506	7.4
109.10174	1.7
115.03912	1.9
117.06998	1.6
119.08590	8.3
121.06498	6.0
121.10132	6.3
122.03624	2.6
123.07181	3.1
123.08076	62.8
125.06017	8.4
127.03929	19.7
133.06493	4.8
133.10127	4.8
135.08067	3.3
135.11693	2.4
137.05988	31.7
145.03914	2.1
145.04964	32.7
145.10110	5.6
147.11671	6.2
149.09586	3.0
151.07553	100.0
153.09111	3.5
154.39070	1.4
161.09554	2.6
163.05997	3.0
163.11198	52.3
167.07076	6.9
171.11682	1.6
173.13361	1.7
181.04927	5.5
181.12234	30.6
189.12750	21.0
192.04985	1.6
207.13823	60.3
209.15335	4.0
225.14888	12.7
225.87827	1.7
357.13229	4.3
387.14505	8.3
387.20059	48.5
393.32028	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2017
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03954	3.2
55.01860	1.9
55.05520	2.7
57.03442	2.8
61.02921	5.4
61.89524	1.7
67.05504	7.7
69.03440	27.9
69.07071	5.3
70.06596	7.6
70.80045	4.4
71.04988	3.4
72.08155	3.5
73.02932	3.8
74.83324	1.8
77.90913	1.6
79.05520	4.8
80.71591	1.6
81.03391	11.0
81.07069	20.4
83.04978	4.9
84.08131	1.8
85.02914	100.0
86.09705	6.5
91.05498	9.7
93.07059	7.1
94.44473	1.9
95.05009	2.9
95.08599	11.4
97.02908	15.8
97.04006	4.1
97.06547	3.6
99.04479	11.7
102.05562	5.3
105.07053	12.0
107.04955	2.0
107.08592	6.8
109.02895	5.3
109.06542	3.7
109.10159	31.7
111.04465	2.7
117.07088	2.1
119.08591	12.6
121.06534	3.2
121.10170	10.8
123.04459	3.1
123.08071	8.6
123.11720	82.7
125.06010	22.5
127.03934	17.7
131.08629	3.5
133.06465	1.7
133.10136	4.0
135.08072	2.6
137.05988	3.6
137.09659	2.4
139.03822	2.0
139.07632	4.9
139.08673	87.0
140.09027	1.8
145.04988	5.5
145.10178	6.2
147.08051	3.7
147.11740	16.2
149.09644	12.1
151.07571	13.5
156.09314	2.6
161.09486	1.9
161.13272	2.1
163.11244	4.4
165.09175	1.9
165.12788	5.9
167.07027	4.2
167.10674	2.9
171.11639	3.0
177.05464	2.5
181.12238	2.7
189.12756	16.9
207.13826	77.6
216.44167	1.8
225.11154	3.4
225.14865	31.9
251.09398	2.5
333.16980	12.9
343.13605	6.1
351.18045	34.0
369.19281	11.9
379.11328	1.6
387.12384	6.2
387.16177	28.2
387.20309	19.2
396.59457	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91932	0.8
54.06058	0.8
65.54178	0.8
65.94545	0.8
69.03426	2.0
69.38222	0.8
71.05007	1.0
72.08156	2.8
79.05470	1.0
81.03426	5.1
85.02892	3.1
86.09709	1.1
91.05494	4.3
93.07067	1.3
95.04962	1.7
97.02882	1.3
98.21503	1.8
103.05471	1.4
105.07038	1.2
107.04955	4.1
107.08585	1.6
108.05769	1.1
109.06538	1.6
109.10144	1.3
109.31490	0.9
111.05555	1.1
115.05434	1.0
117.07006	1.2
119.04932	2.7
119.08547	1.3
121.06507	3.5
121.10181	0.8
123.04430	1.2
123.08076	2.0
127.03868	1.5
129.10210	1.8
129.78423	0.9
133.06447	0.9
133.10138	1.9
135.08060	6.1
136.05194	2.6
137.05919	2.1
139.07535	1.1
139.08665	2.2
146.07330	1.1
147.04410	3.5
147.08083	10.5
148.05176	8.6
148.08855	1.6
149.09621	1.5
151.03946	1.5
151.07552	9.5
153.05469	2.6
162.06754	2.7
163.07552	23.3
164.08258	1.0
165.05444	2.3
165.12698	1.0
166.06308	4.9
166.33752	0.8
167.07094	1.0
168.07808	5.9
176.08307	0.9
177.09129	9.8
178.09908	88.9
179.07085	6.0
179.10681	11.7
181.08607	53.1
194.09395	13.5
195.10172	2.9
207.10193	1.9
207.13818	8.5
209.11742	100.0
210.12070	2.6
223.00610	0.9
225.14900	1.8
227.12820	5.2
248.97487	1.1
343.13602	2.9
369.20377	1.6
387.11847	5.3
387.17111	4.8
387.20453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
62.30184	0.9
69.03413	2.8
69.07079	0.9
69.42690	4.0
69.43123	3.9
72.08135	1.0
79.05489	1.1
81.03424	6.6
83.04969	1.4
85.02902	5.6
91.05495	3.7
93.07033	1.7
95.04966	1.6
95.93979	0.9
97.02888	2.8
98.97617	1.9
105.07047	1.9
107.04958	5.8
107.08579	0.9
109.02882	1.6
109.06532	1.7
109.42698	0.9
111.97467	0.9
117.07024	2.4
119.04940	1.6
119.08669	1.6
121.06543	5.2
121.10132	1.4
123.04479	1.8
123.08054	1.6
125.06034	1.5
131.04950	1.1
133.06502	1.8
133.10072	1.1
135.08052	5.3
136.05193	2.6
137.05998	3.3
138.06819	1.6
139.07681	1.1
140.76518	1.1
146.07236	1.0
147.04398	2.2
147.08073	11.5
148.05205	5.6
148.08751	1.0
149.05983	1.6
149.09648	2.2
151.03958	1.2
151.07568	12.4
153.05469	2.9
155.85701	1.4
162.06783	2.0
163.06276	1.8
163.07561	25.2
163.11180	1.6
164.08238	1.5
165.05495	1.4
166.06265	5.9
168.07834	4.2
177.09134	10.9
178.09909	87.8
179.07120	5.2
179.10683	8.7
181.08611	49.7
181.09927	0.9
192.78343	1.1
194.09393	14.6
195.10138	2.0
207.10193	2.3
207.13780	9.0
209.11749	100.0
210.12120	2.4
214.24124	1.1
225.14877	2.9
227.12740	6.0
279.22470	1.0
343.13394	1.9
356.97079	1.0
357.53683	1.1
387.12448	3.3
387.16788	8.2
387.20865	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
56.96560	1.8
57.03432	1.8
58.37542	1.2
59.66275	1.1
69.03445	6.4
69.03745	1.4
70.06587	5.0
71.57477	1.3
72.08150	3.7
73.02893	1.4
79.05505	1.3
81.03408	2.2
83.04989	1.4
83.67399	1.1
84.08147	3.2
85.02919	10.6
86.09699	3.5
87.00841	1.3
87.04450	1.3
91.05494	2.1
93.07085	1.4
94.06572	3.4
95.04977	3.5
97.02884	5.1
98.97584	4.1
99.04489	2.1
105.07024	1.6
109.02899	2.6
109.10158	1.3
115.03928	1.7
116.07085	1.8
116.98641	1.3
118.06590	1.8
120.08120	1.8
121.02871	1.5
122.06052	5.6
123.04434	1.5
127.03923	3.2
131.04935	1.5
133.04935	1.5
138.09186	1.4
139.07471	1.9
139.08611	2.5
141.65302	1.5
153.06944	1.1
165.07013	5.2
166.07526	1.3
167.03304	1.1
167.07179	2.2
167.08589	12.5
168.34064	1.2
177.06921	6.2
178.07814	5.2
179.08548	5.3
180.35579	1.3
181.10072	2.4
182.07036	1.1
183.08214	2.4
190.07884	1.4
191.08560	32.5
193.10179	7.1
194.07178	1.8
195.08107	10.8
201.07007	2.7
202.07799	4.6
203.08548	4.1
204.08212	1.2
205.06537	2.5
207.08095	3.3
207.13889	2.7
208.08826	1.9
208.11165	1.7
209.09698	3.9
210.03560	1.4
210.09265	2.7
212.10710	3.4
217.08977	1.8
218.09575	2.1
219.08058	35.3
221.09735	9.0
222.09122	1.6
223.07439	7.1
224.10767	2.4
225.09071	4.0
225.11201	1.3
225.14790	1.7
227.07010	2.1
229.07654	4.0
236.10718	35.4
237.09062	3.3
238.12292	23.2
240.10223	21.0
247.07547	3.3
253.13373	97.3
254.11699	15.8
254.13855	1.8
264.10211	3.5
265.08627	10.7
267.10278	1.7
269.08121	5.5
282.11267	41.1
286.10800	1.7
295.14471	23.4
299.13928	62.3
300.12158	2.9
301.12552	2.0
311.09171	1.9
323.13550	1.8
324.12317	4.9
328.11789	14.0
341.14978	100.0
342.13556	2.4
343.13718	6.7
345.14426	22.3
370.13010	2.5
387.12344	17.3
387.16049	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	387.144
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
53.03927	1.0
55.01875	1.4
55.05514	1.2
56.96560	1.0
57.03421	2.2
59.05018	0.6
63.94622	0.6
65.03928	0.7
67.05489	1.5
68.99770	0.8
69.03418	1.4
69.07039	1.0
71.56345	0.7
77.36325	0.5
78.75530	0.6
79.05499	5.8
81.03398	0.7
81.07057	5.0
83.01287	0.8
83.04981	1.8
84.08131	1.4
85.02911	2.0
91.05489	5.2
93.03413	0.9
93.07023	2.4
95.01342	1.3
95.04948	2.0
95.08595	1.7
97.06553	2.9
97.10184	0.8
98.97565	1.1
99.04451	2.5
103.05444	0.9
105.07006	1.6
106.04155	2.2
107.04980	3.3
107.08636	1.1
108.05723	1.9
109.06522	2.2
109.10147	1.5
111.08070	2.3
115.05435	0.8
117.07021	0.9
119.04948	1.8
119.08577	1.9
121.06521	5.0
121.10144	0.9
123.08073	1.6
125.05990	1.8
125.09599	1.1
127.03926	12.2
129.06972	2.1
130.01947	0.6
130.30627	0.6
131.08589	0.8
133.02859	1.0
133.06494	0.7
133.10129	0.8
135.04442	1.4
137.05986	6.6
138.06697	0.6
139.07567	2.9
141.06990	0.8
143.08537	1.0
144.05638	0.7
145.06514	1.1
145.10143	1.3
147.08035	2.8
147.11700	0.7
149.02368	2.9
149.05992	29.8
149.09613	0.9
150.06781	10.3
151.03905	1.2
151.07515	0.9
153.42595	0.6
157.10107	1.1
159.11743	0.6
161.02348	7.8
161.05980	2.0
163.03880	2.1
165.05530	0.7
167.03418	1.2
167.07060	16.8
175.03888	0.8
175.07500	2.2
181.04994	1.4
185.05977	3.9
185.08089	1.5
193.05099	0.8
201.05667	0.7
203.07042	100.0
204.07443	1.5
219.06210	0.8
225.09117	0.9
227.06944	0.7
235.88345	0.7
239.06998	1.3
243.10132	0.8
265.75049	0.7
267.10092	0.7
279.10275	1.3
281.11810	2.0
282.08853	1.6
283.13116	0.8
287.09235	1.5
294.12466	0.8
295.09631	1.5
295.13089	1.0
297.11172	1.7
297.14606	0.8
301.07050	3.0
310.11996	0.8
313.10587	1.3
325.10825	0.9
325.14301	3.0
341.10190	3.4
341.13925	5.4
343.15439	1.8
351.12427	3.1
355.11584	1.1
369.09503	0.9
369.13425	9.5
387.09518	1.1
387.14404	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	386.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	2.4
69.07059	2.8
90.61613	2.5
91.05478	36.2
105.07025	2.8
107.08552	3.0
121.10271	2.5
131.04810	2.4
166.07793	2.5
179.08540	2.2
181.10133	2.6
189.05470	5.6
207.08208	2.3
209.09616	2.4
239.10767	3.3
267.10175	100.0
285.11215	25.1
301.37473	2.7
323.16428	41.6
343.11407	2.2
379.97748	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	387.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01865	1.7
55.05508	1.5
56.96563	7.0
57.03431	3.3
61.02917	2.6
65.03929	1.5
65.25226	1.1
69.03420	9.6
70.06618	6.2
71.58195	1.9
72.04515	1.7
72.08157	2.1
72.34332	1.2
73.02912	3.6
73.81062	1.2
74.02437	17.2
79.05460	2.2
81.03419	3.5
81.04533	3.8
81.07032	1.3
83.04956	2.0
84.08161	2.3
84.96046	1.2
85.02904	18.1
87.04459	2.0
88.04007	2.6
88.11674	1.2
91.05457	1.2
92.05000	5.1
94.06564	2.5
94.47536	1.6
96.13158	1.2
97.02898	9.5
97.18074	1.1
98.06032	1.2
98.97582	10.0
105.06978	1.3
108.04507	1.7
109.02863	1.8
110.06043	100.0
110.97589	3.1
111.04465	1.9
112.07610	3.3
112.99097	1.8
116.03465	2.5
116.98632	3.6
122.06031	5.6
124.03934	1.5
127.03946	5.7
128.98642	2.5
131.00209	1.6
131.93750	1.3
134.06015	6.3
136.03917	2.7
137.06024	1.2
137.10699	1.3
138.09149	2.6
139.09471	3.6
149.01201	2.2
150.05504	24.4
152.03226	1.4
158.99631	2.5
161.07104	7.4
162.05486	2.1
163.99658	1.2
167.03381	1.4
167.07039	3.1
175.28659	1.1
177.00749	1.6
177.06624	4.4
178.05022	1.5
179.08162	10.0
179.11794	2.4
180.06517	1.3
180.55186	1.2
182.99657	2.2
190.00902	1.4
190.05092	2.5
198.07567	1.2
201.00719	4.6
207.07645	22.2
212.06134	1.9
214.83237	1.5
219.01729	3.9
223.04259	5.8
225.08716	48.5
225.12018	8.2
237.02788	3.7
247.06476	6.4
254.09190	1.2
259.06680	2.9
267.09796	2.1
303.09531	1.9
341.15033	1.6
387.13205	12.0
387.21725	2.2
397.27094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.80188	0.5
55.01876	1.0
55.05500	0.9
57.03432	1.2
58.06591	1.9
59.04992	0.9
61.02913	2.3
69.03428	6.9
70.84927	0.9
70.85242	0.6
71.04991	1.1
72.08139	0.6
73.02901	1.3
79.05488	1.3
81.03429	2.9
84.08127	0.6
85.02910	14.3
87.04513	1.4
91.03948	0.8
91.05459	3.3
95.04964	0.5
97.02893	5.5
98.97562	1.8
99.04454	1.3
103.05486	5.0
105.07040	17.1
107.04934	1.5
109.02863	2.1
115.05500	0.7
116.98552	0.7
117.07053	0.6
118.06555	5.2
119.07286	0.7
120.08124	11.7
121.06480	0.7
127.03937	3.0
128.06210	1.8
128.10724	0.9
130.06558	0.5
131.04933	2.5
131.07298	1.4
132.06535	0.6
138.05521	0.9
138.09131	2.0
143.08588	2.3
145.04967	1.9
156.10141	0.7
160.11230	57.4
161.11534	1.1
163.03923	0.6
178.12283	56.3
179.12621	0.8
206.11771	11.2
219.01778	0.6
224.12830	100.0
225.13139	1.9
248.12859	0.6
249.36856	0.6
252.91551	0.6
350.16180	1.2
386.18140	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	386.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64806	1.0
69.03388	1.9
71.57886	2.0
78.22915	1.1
79.05491	1.0
81.03387	1.7
81.07046	1.5
82.37268	0.9
87.00837	1.9
88.03989	1.7
91.05447	1.4
93.07026	1.4
95.08572	1.3
97.01078	1.0
107.08546	1.6
109.02866	1.2
111.02660	6.4
118.98038	0.9
120.87332	1.0
121.10133	2.3
125.04202	2.0
128.03442	5.8
133.10104	6.2
135.11725	1.4
137.05998	3.5
141.00041	4.2
144.01180	2.5
151.11212	1.6
155.01622	16.3
156.02884	5.3
161.09618	1.3
162.10474	1.1
165.07402	2.3
167.08849	1.0
174.03964	3.1
179.10658	3.3
181.10432	2.4
183.08344	1.1
187.05888	1.2
193.10307	1.2
194.09880	1.3
195.08344	4.7
202.97568	1.0
207.08391	8.6
208.11525	1.9
209.10011	1.9
213.09518	5.3
224.16388	1.9
225.09424	11.5
236.11044	10.1
254.12111	100.0
255.12331	1.5
271.06204	1.4
276.10416	1.6
280.10019	10.3
283.10052	2.9
298.11032	1.4
300.12646	6.6
304.09988	7.7
322.11081	26.2
326.10815	1.5
340.12146	62.1
368.11642	15.9
385.29071	1.7
386.12762	12.4
386.29672	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	385.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
56.96561	0.5
66.97400	0.4
67.05495	1.7
69.03430	0.7
69.07051	1.3
69.63968	3.1
78.01439	0.4
79.05489	1.8
81.07072	4.0
83.04982	0.8
85.02894	1.1
91.05507	2.5
93.07043	2.2
95.04971	0.9
95.08629	2.2
97.02908	1.0
97.06492	0.8
98.20818	0.6
105.07035	2.2
107.04965	0.8
107.08591	1.9
109.02876	0.5
109.06542	1.0
109.10183	0.8
115.05493	0.6
116.85945	0.4
117.06992	0.6
119.08601	1.6
121.06461	0.9
121.10155	1.1
123.08065	0.9
123.11741	0.9
131.08617	0.7
133.10144	1.1
135.04427	0.7
137.02361	0.5
137.05977	1.6
137.09662	0.9
145.10123	1.2
147.11678	0.9
147.84329	0.5
149.09621	0.6
149.13234	0.7
159.08081	0.5
159.11780	0.8
163.07658	0.5
165.09041	0.6
167.07024	1.0
175.07469	0.7
177.05493	0.6
182.29932	0.5
186.03117	0.5
201.05487	4.0
237.10133	0.6
251.11807	1.5
265.09799	0.7
279.11276	1.4
299.09097	0.8
307.10287	0.6
323.09186	0.5
325.11719	1.4
335.09427	0.9
349.25830	0.5
353.10797	0.7
367.11926	0.7
385.12756	2.5
385.29272	100.0
386.29547	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90252	0.2
56.96567	0.3
71.56742	0.2
76.08089	0.1
85.02900	0.2
98.97599	0.4
115.09423	0.2
131.00165	0.4
149.01163	0.3
169.38657	0.2
191.02274	0.4
207.05148	0.3
212.06841	100.0
213.07231	1.5
269.05472	0.3
385.17566	0.6
397.68860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01877	12.4
55.05505	16.5
57.03434	7.9
61.02929	4.8
65.03941	3.7
67.05505	25.5
67.19607	2.5
68.99792	10.5
69.03436	46.2
69.07067	29.3
71.01345	7.2
71.04992	9.4
71.57640	4.2
73.02906	5.3
79.05499	33.8
81.03429	26.2
81.07062	88.3
83.04973	15.0
83.08636	13.2
85.02420	3.9
85.02908	57.9
87.00821	27.3
87.04473	3.2
91.05477	31.8
93.07053	81.8
95.04967	29.3
95.08606	42.7
96.08963	2.5
96.24529	2.3
97.02905	37.5
97.06551	17.7
98.97591	4.2
99.04459	7.2
101.02377	3.3
102.00764	2.8
103.03931	4.3
103.05460	3.7
105.01846	6.8
105.04510	3.5
105.07037	80.1
107.04947	15.3
107.08592	40.5
109.02883	5.7
109.06521	19.3
109.10161	12.8
111.04445	9.3
111.08058	4.1
111.11722	17.5
113.02345	5.8
115.03922	11.6
115.05514	3.2
117.07050	12.1
119.04943	4.1
119.08585	35.1
121.02875	3.1
121.06525	21.3
121.10152	29.5
123.04450	9.7
123.08094	7.5
123.11704	23.5
125.05995	8.5
127.03928	6.8
128.06229	6.3
129.01848	4.0
129.06995	9.8
129.49852	2.7
131.08559	19.9
133.06474	25.8
133.10143	19.2
133.28862	2.9
135.04402	4.5
135.08063	6.6
135.11682	9.7
137.05965	5.5
137.13275	4.3
139.11195	16.9
142.07774	5.4
143.08546	25.3
145.06468	4.9
145.10133	19.0
147.02846	4.1
147.04515	2.5
147.08061	7.1
147.11700	61.4
149.06042	3.6
149.09666	5.4
149.13268	100.0
151.07549	60.9
153.12692	2.8
155.08588	5.4
157.10139	13.2
159.02948	10.3
159.08057	6.1
159.11708	40.8
161.09641	6.9
161.13281	35.0
163.11147	12.0
163.14848	6.8
165.12756	7.2
167.07089	5.9
169.08621	4.5
169.10086	4.6
171.02876	4.3
171.08101	6.9
171.11719	6.1
173.13202	14.0
175.11179	6.9
175.14822	3.4
177.12772	23.7
179.08611	3.9
179.14204	2.9
180.95280	2.9
181.04868	3.0
183.11700	5.8
185.09605	2.8
185.13269	13.0
187.11182	3.2
189.03882	5.7
189.12802	14.1
191.14342	11.2
198.36322	2.7
199.14819	16.3
201.03912	8.6
201.05544	9.1
201.12753	9.4
203.14302	16.1
207.06424	3.8
209.13249	6.4
215.14302	7.5
217.12462	2.6
217.15974	8.2
227.14357	29.2
233.15425	6.5
245.15378	63.7
246.15697	3.0
263.16434	30.6
349.12650	2.7
349.16299	12.6
367.17413	7.7
385.12827	20.4
385.18628	11.6
385.23599	12.1
385.29099	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	385.1653
Annotation	Urinatetralin
Peak:m/z	Relative Intensity
51.02372	0.2
53.03952	0.4
55.01865	0.7
55.05501	0.2
57.03437	0.2
59.05009	1.0
65.03937	1.3
67.05507	0.7
68.99801	0.2
69.03433	0.4
71.04986	0.3
71.16106	0.2
71.16426	0.2
73.06559	0.3
75.04482	5.8
77.03933	0.1
78.04737	0.2
79.05499	1.6
81.03421	1.2
81.07061	3.7
83.04980	0.6
85.06565	0.3
91.05486	22.4
92.05788	0.2
93.07054	1.7
94.04189	0.3
95.01282	0.3
95.04984	1.8
95.08588	0.7
97.06506	0.2
99.04450	0.7
101.06026	9.0
103.05468	0.3
105.03413	0.3
105.07021	1.0
106.04162	0.1
107.04977	0.5
107.08589	0.3
108.05746	2.6
109.06526	13.8
110.06803	0.1
111.04434	1.1
115.07589	1.4
117.07012	0.3
118.04165	0.7
118.34190	0.1
119.04951	22.6
119.08601	0.5
120.05257	0.3
121.02865	0.3
121.06523	1.9
123.00793	0.2
123.08078	14.5
124.08402	0.3
125.05984	0.3
128.06223	0.3
129.07065	0.7
131.04930	0.2
131.08600	0.2
132.05852	0.1
133.02849	0.3
133.06503	1.6
134.03639	0.3
135.04434	1.0
136.05234	0.2
137.05986	0.2
139.07623	0.2
141.06993	0.2
143.07095	0.1
143.08568	0.1
145.02821	0.4
147.04416	0.6
147.08052	1.1
149.02354	1.1
149.06013	2.2
151.07549	100.0
152.07887	1.6
153.05447	0.3
153.07048	0.2
153.09084	0.2
155.08546	0.4
157.06500	0.6
159.08011	0.3
160.05170	0.3
161.02357	2.7
161.05991	1.4
163.03938	0.7
167.03430	0.4
167.08533	0.2
169.06435	0.2
169.10196	0.2
171.08116	0.2
173.06015	0.3
175.03896	0.6
175.07571	0.9
177.05492	3.0
177.06999	0.2
179.08588	0.4
181.06430	0.5
182.07257	0.2
183.10176	20.3
184.10558	0.3
185.00998	0.2
185.05994	1.9
187.03938	1.0
187.07451	0.2
189.09128	0.3
194.07306	0.2
195.08127	0.7
197.09576	0.3
198.06767	0.2
199.07545	0.5
203.07040	34.8
204.07436	0.7
205.04915	0.2
207.08141	0.3
211.07542	0.3
213.05524	0.4
213.09082	0.4
217.08630	0.6
219.08113	0.2
223.07513	1.1
225.05528	0.2
225.09161	0.3
226.06223	0.2
227.07063	0.6
232.08839	0.3
233.09740	0.2
235.07536	0.5
236.08229	0.3
237.05576	0.2
237.09279	0.3
238.06299	0.2
239.07074	0.6
241.08591	1.3
243.10181	4.4
247.11143	0.2
249.09114	0.5
250.06200	0.3
250.09943	0.2
251.07007	0.8
251.10738	0.4
252.07846	0.3
253.08679	0.4
261.09149	0.5
263.07104	0.8
264.07748	0.2
265.08652	0.9
265.12180	0.4
266.05826	0.3
267.06509	0.5
267.10156	1.3
269.08084	4.4
275.10672	1.0
277.08618	0.6
278.09399	0.7
279.07040	0.2
279.10138	2.0
280.10980	1.9
281.08115	0.8
281.11243	0.2
282.08804	0.2
283.09659	0.3
288.07849	0.2
289.08777	0.2
291.06863	0.3
291.10117	0.6
293.11703	2.5
295.09790	0.8
295.12726	0.2
303.10190	0.4
305.08017	0.4
306.08820	0.6
307.09698	0.4
309.11179	0.3
311.12775	3.6
311.16190	0.3
312.13168	0.2
320.10367	0.2
321.11209	2.4
322.11829	0.2
323.09393	0.3
323.12793	1.1
325.14313	1.2
335.12656	0.8
353.13846	44.8
354.14236	1.3
370.14337	0.2
385.16489	20.1
386.16806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1282
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.46508	1.2
53.81350	1.2
54.18795	1.4
55.01865	5.2
55.05509	2.2
56.96550	2.2
57.03437	1.7
58.63212	1.3
60.39124	1.3
61.79813	1.3
67.01530	1.8
67.01869	23.8
67.05502	3.7
69.03428	2.6
69.07072	2.0
69.85969	5.9
78.53497	1.3
79.05493	4.0
81.03412	2.3
81.07043	5.0
83.04980	6.2
85.06528	2.4
91.05500	4.9
93.07046	2.5
94.97749	1.2
95.04996	1.9
95.08588	4.1
97.02903	1.3
97.06526	3.5
105.07036	3.9
107.08624	1.9
109.06523	3.0
111.04449	16.0
117.07076	2.7
119.04937	3.9
119.08598	2.6
121.06519	4.5
121.10144	2.9
123.04447	2.8
125.06027	2.1
128.06198	2.1
129.06998	2.7
133.10126	2.3
135.11697	1.8
137.05980	6.4
139.03947	2.7
143.08595	6.2
145.10123	1.8
147.04420	3.6
147.08054	2.8
149.02368	6.4
149.05867	1.5
151.03908	5.8
151.07629	1.6
153.01872	4.1
153.05473	2.6
157.06606	1.6
158.52342	1.2
159.08156	1.4
161.02385	3.2
161.05989	3.8
161.09599	3.3
163.03867	1.8
165.05492	4.7
169.06496	1.9
171.08058	12.6
173.06052	1.7
175.03909	2.5
179.07098	2.6
183.06526	11.3
185.05986	2.8
187.03790	1.6
189.05525	5.9
189.09117	4.7
193.04982	3.6
195.08035	3.7
198.06714	4.2
199.07509	4.3
201.05450	6.7
203.07048	49.1
203.10603	2.0
207.06494	7.2
208.06918	4.7
209.07420	2.4
213.09117	14.3
216.07953	1.6
217.05208	1.4
217.08626	28.3
218.08931	1.4
223.07622	1.5
225.04361	1.5
226.06238	3.0
229.08771	1.4
231.10277	7.0
235.04680	1.4
241.08542	12.0
243.06511	1.5
243.10225	1.8
255.10124	2.5
259.09677	100.0
260.09940	3.1
269.08130	3.6
275.19919	1.5
283.09711	4.3
287.09180	12.8
293.07895	1.7
311.09048	3.5
311.12680	2.6
320.32736	1.4
321.10968	2.1
330.93106	1.6
339.12216	3.4
348.65454	1.6
353.10181	1.8
359.07986	2.5
367.11722	3.5
371.11249	44.4
372.11633	1.6
381.57025	1.3
385.08643	2.8
385.12778	33.5
385.16925	2.4
385.23587	3.1
385.31302	2.2
386.13049	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1283
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.03952	1.5
55.01870	1.1
55.05510	1.0
57.03432	2.0
58.10269	0.8
59.04990	2.9
62.71324	0.7
65.03944	2.4
67.05508	5.2
69.03425	3.2
70.80035	2.4
79.05490	2.8
81.03417	2.1
81.07054	3.3
83.04955	1.4
87.04473	1.7
91.05479	2.6
93.03420	1.6
94.04198	1.8
95.01322	2.1
95.04976	5.1
97.02921	1.3
97.06549	1.3
105.03391	3.3
105.07008	1.1
106.04194	1.7
107.04973	2.6
109.06516	7.5
111.04441	3.2
115.05440	1.4
119.04940	1.5
119.08564	1.5
121.02884	2.9
123.04414	4.6
125.05982	4.9
127.07558	2.2
128.06154	1.0
129.06984	2.2
131.08580	0.9
133.02856	1.8
135.04419	1.9
135.64786	0.9
137.05986	12.0
139.03911	1.9
141.06995	1.3
145.06494	2.7
147.04440	1.9
147.08061	4.0
149.02347	5.8
150.03156	2.1
151.03938	7.9
153.05470	6.5
155.07028	2.3
157.06538	2.3
160.05202	1.8
161.02373	12.2
161.06013	5.7
163.03915	2.9
165.05495	15.7
166.06277	16.5
167.03389	2.8
169.06549	0.9
169.10197	1.2
171.04289	0.9
173.06001	2.4
175.03931	2.2
175.07538	2.0
179.08569	2.0
181.04980	18.9
181.06439	1.7
182.07266	1.4
183.04440	1.6
183.06543	9.0
183.08005	1.8
185.06007	5.9
187.03954	4.7
189.05490	2.3
191.03490	1.4
195.08035	1.0
197.06015	1.1
197.09706	2.6
199.07549	1.3
201.05428	1.5
201.09172	1.5
203.07042	84.1
204.07498	1.5
205.10141	1.0
207.08170	1.1
209.04465	7.7
209.06142	1.2
211.07613	1.7
213.05481	1.1
213.09061	1.6
215.03419	1.2
215.10724	1.4
225.05627	1.0
225.09105	8.4
227.07127	1.6
229.08655	1.0
231.06398	1.2
233.09645	1.6
235.07550	1.7
236.08372	1.1
237.09261	1.6
241.05078	0.8
241.08617	2.4
243.10194	42.4
249.09271	1.3
251.06989	1.1
251.10899	1.0
253.08618	3.9
255.06685	1.0
255.10201	3.3
257.08133	2.3
261.09167	3.4
263.07031	2.4
264.07828	2.5
265.08609	3.0
267.06772	1.4
267.10190	4.3
269.08215	4.3
271.09656	3.2
277.08694	0.8
279.06857	1.4
279.10223	7.4
281.04825	0.9
281.08115	3.5
283.09692	5.2
283.13016	1.0
291.06454	1.9
291.09998	1.3
292.07303	1.2
293.08139	25.8
293.11472	1.8
295.09784	3.0
296.06970	1.7
297.11282	1.6
299.09198	17.8
307.09589	6.0
309.07581	2.6
309.10956	1.8
311.09158	25.6
311.12827	13.6
318.14807	0.9
321.11221	1.5
323.09369	1.1
323.12875	2.7
324.09875	1.1
325.10669	6.3
335.09064	1.6
337.07098	2.6
337.10815	1.7
339.08609	2.9
339.12347	9.2
349.10669	1.7
352.09564	1.3
353.10220	12.6
354.11017	5.9
355.11832	6.2
357.13373	3.7
367.11801	38.4
368.12265	1.4
384.30811	2.1
385.12863	100.0
385.31250	3.1
386.13080	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	385.111
Annotation	Euoniside
Peak:m/z	Relative Intensity
52.17591	0.9
55.05507	1.4
56.96560	2.5
58.06596	2.6
67.05529	1.0
69.03434	4.8
70.06590	1.8
71.57259	1.8
72.08128	1.6
73.02908	1.5
79.05493	1.7
81.03403	2.4
84.96043	1.2
85.02914	7.6
86.09671	1.3
91.05477	1.3
92.30888	1.1
92.64867	1.0
95.04978	1.5
97.02906	4.1
98.97590	4.9
99.04430	1.2
101.26871	1.0
102.09185	3.0
105.07052	1.2
109.02919	1.4
110.97554	1.1
116.98667	2.6
121.02862	2.3
127.03915	2.0
128.07072	2.5
134.88582	1.1
137.05948	1.3
138.05426	1.3
146.08127	4.1
147.04430	1.9
152.07034	1.2
153.06587	1.0
157.98921	1.0
158.99712	1.3
165.05594	1.4
174.18889	0.9
177.05490	1.5
180.06493	2.3
182.07024	1.5
195.07672	1.8
198.07594	1.1
203.05281	14.0
205.04735	4.7
207.06490	1.4
219.01793	1.6
219.06418	1.5
223.05815	40.4
237.02754	1.6
245.56691	1.6
385.11047	100.0
385.18451	20.6
386.11429	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96584	2.6
65.02942	1.5
67.05492	2.6
69.07075	2.0
70.00144	9.1
77.09879	2.0
81.07051	3.4
81.37463	1.6
85.04565	1.6
91.05494	9.0
103.05463	2.1
105.07021	3.0
109.10161	3.5
118.59983	1.7
131.73827	1.8
140.68365	1.6
140.87762	1.8
157.06534	1.8
183.08040	2.3
184.48633	1.7
203.07027	2.5
203.10649	1.8
240.25136	1.8
243.10248	6.4
267.10153	5.8
313.48166	1.8
321.14899	100.0
322.15277	2.6
339.15948	3.4
384.12488	7.9
407.23822	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	384.1882
Annotation	dihydrozeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.03945	1.1
55.01874	0.9
55.05498	0.6
56.96560	0.6
57.03450	2.2
60.23269	0.5
61.02917	2.4
66.54476	0.4
67.05495	0.8
67.93806	0.4
69.03436	7.7
69.07072	5.9
70.06589	1.2
71.04994	1.3
71.09208	0.9
71.44086	0.4
72.08147	1.8
73.02914	1.9
79.05488	1.2
81.03429	3.1
82.06576	0.5
83.04961	0.4
84.08125	0.7
85.02429	0.7
85.02911	10.4
85.06540	0.9
86.09652	0.5
87.04450	1.9
87.08085	0.7
91.03938	0.5
91.05482	1.0
93.07030	0.7
94.07387	0.4
95.04980	0.7
97.02904	5.0
98.97573	1.4
99.04450	0.7
101.02346	0.5
109.02881	1.6
109.06517	0.4
110.07132	0.6
112.45690	0.4
113.06011	0.6
116.07155	0.4
119.03552	0.5
121.06485	0.6
122.06053	0.6
124.07610	0.6
127.03924	2.7
128.07042	0.5
135.04430	0.5
136.06198	34.3
137.04578	1.1
137.05927	0.5
138.05484	0.6
140.07091	0.6
145.04970	1.8
145.10162	0.4
148.04996	0.9
148.06187	17.3
149.05965	0.4
151.39052	0.4
155.05632	0.8
164.68814	0.4
166.07245	0.5
176.03407	0.6
176.07013	0.6
177.05438	0.9
189.05464	0.6
194.04453	0.6
194.08070	0.6
204.12447	6.4
204.14249	0.6
205.12286	0.7
222.13510	100.0
223.10686	2.1
223.13675	2.3
232.09959	0.5
245.80754	0.5
254.58452	0.4
298.15012	0.6
384.13409	15.2
384.18842	33.1
385.14343	2.0
385.19086	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73388	0.8
55.05501	3.9
56.07681	0.7
57.07082	0.9
67.05508	9.5
69.07076	6.0
69.23408	2.0
69.23827	7.0
75.53323	0.8
79.05483	7.0
81.07067	23.4
83.08613	2.7
91.05486	13.7
93.07056	16.9
95.04970	1.9
95.08614	24.5
97.06525	1.4
97.10169	1.3
103.05492	1.1
105.07039	100.0
107.08598	20.7
109.06503	1.6
109.10168	11.1
115.67519	0.8
117.07011	2.3
119.08588	50.2
121.06504	1.9
121.10150	12.4
123.11721	5.3
125.09618	1.3
131.08588	4.2
133.09239	1.2
133.10149	15.7
135.07985	0.9
135.11696	12.5
137.13278	2.5
143.08560	1.2
145.10135	4.6
147.11693	12.0
149.13277	7.9
151.07538	2.1
159.11732	7.4
161.13268	68.9
162.13698	1.3
163.07607	1.1
163.14832	8.7
165.01933	0.8
173.13235	2.8
175.14838	17.1
177.16391	1.8
179.07111	1.2
179.14377	3.3
181.08603	1.2
187.14850	3.0
189.16411	4.2
191.07034	1.7
191.17978	10.9
192.51669	0.9
201.16444	2.5
203.18025	4.3
207.06531	3.7
207.17464	2.2
214.90703	1.0
215.17914	1.7
245.08144	3.2
252.46053	1.0
365.32028	6.0
383.10925	2.3
383.15158	8.3
383.28711	1.4
383.33160	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	383.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95092	0.9
53.03958	0.9
55.05500	4.3
56.96573	1.5
57.07070	1.3
67.05502	7.1
69.07072	6.7
69.36419	7.5
71.05003	1.4
78.03383	0.9
79.05505	7.6
81.07062	26.4
83.08609	3.1
84.43120	0.8
85.06538	1.6
91.05480	14.0
93.07044	21.9
95.04957	2.8
95.08611	23.7
96.40824	0.9
97.06512	0.9
97.10155	2.6
101.41270	0.9
103.05383	1.0
105.07036	100.0
107.08598	21.1
109.06470	1.4
109.10161	13.0
117.07029	1.8
119.08586	51.5
121.06515	1.7
121.10136	13.7
123.08086	1.6
123.11707	4.8
130.07819	1.0
131.08553	4.1
133.02861	1.3
133.10149	16.1
135.04414	1.1
135.11702	13.6
137.06021	1.5
137.13240	1.9
143.08562	1.8
145.10114	6.2
147.11690	12.5
149.02286	1.1
149.05978	1.3
149.13269	8.4
151.03880	4.2
153.05399	1.2
159.11696	6.7
161.13260	80.2
163.14825	9.2
165.05453	2.5
169.10069	1.3
171.11763	1.3
173.13251	3.7
175.14822	19.3
177.12727	1.4
177.16405	3.2
179.14311	2.9
181.08554	5.2
187.03806	1.4
187.14867	3.4
189.16409	4.2
191.17953	12.2
197.13184	1.0
201.16351	2.5
203.07005	4.6
203.17935	4.3
205.19479	1.3
207.06572	2.2
208.07253	1.5
215.17888	1.1
217.19582	1.5
227.17900	1.0
231.21208	1.3
241.91910	0.9
243.10127	1.3
243.21347	1.3
273.07413	1.2
276.71918	1.0
291.06607	1.2
291.10345	1.3
307.09518	1.4
309.07599	5.3
315.08984	2.5
327.08844	2.0
343.53119	1.0
351.12103	2.3
365.13669	2.3
365.32074	5.0
370.88483	1.1
383.10706	8.6
383.15213	5.8
383.21146	2.1
383.25586	1.6
383.33206	16.9
384.33246	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01931	0.4
54.99556	0.4
69.03417	0.8
70.95206	0.4
71.58743	0.5
79.05491	0.7
81.07034	0.6
85.02907	0.5
91.05486	1.0
93.07040	0.8
95.08606	1.1
105.07058	0.9
107.08570	0.7
109.10183	0.6
119.08503	0.6
121.10121	0.7
133.06477	0.5
135.11665	0.5
140.49393	0.5
142.28131	0.4
145.10120	0.7
147.08073	0.4
159.11658	0.6
162.63344	0.4
169.44540	0.5
175.03955	0.8
215.10648	0.5
230.85327	0.4
292.33188	0.4
353.26633	1.1
383.27695	100.0
384.28159	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
61.49815	0.5
65.98309	0.5
66.19805	0.5
67.05499	1.1
69.03433	0.6
69.07060	0.8
71.58239	0.8
72.08139	1.0
79.05464	0.8
81.03403	0.6
81.07037	1.8
85.02879	0.7
91.05474	0.7
93.07027	1.4
95.04937	0.6
95.08598	1.1
97.06527	1.6
105.07028	0.7
107.08578	0.5
108.94983	0.5
109.10161	0.6
133.10136	1.0
137.05981	0.8
143.08604	0.6
145.10165	0.5
149.02277	0.5
216.36508	0.5
295.09506	0.5
307.09314	0.7
337.10669	0.7
341.03159	0.9
344.02139	1.4
351.12396	0.8
359.04462	1.0
362.03220	0.7
365.27014	1.0
383.04416	1.2
383.11111	1.2
383.15436	2.3
383.27692	100.0
384.27945	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.04316	3.2
53.03944	7.1
55.01852	3.7
55.05509	18.3
56.96556	5.6
57.07063	9.5
58.86582	3.1
59.04989	9.4
59.24015	2.6
59.70944	2.8
64.37229	3.1
67.05515	31.8
67.15327	3.2
69.03424	13.2
69.07072	11.9
69.32795	2.8
69.36974	25.1
70.98149	6.8
71.04985	6.0
74.11267	3.1
79.05504	27.1
81.07066	36.9
83.04984	8.6
83.08621	3.6
88.99121	5.3
91.05479	57.2
93.07047	100.0
95.04974	25.9
95.08611	39.1
97.06518	12.2
103.05499	4.0
105.04548	3.3
105.07034	76.2
106.34032	3.2
107.04967	4.6
107.08601	39.6
109.06520	24.6
109.10160	14.4
111.08085	7.9
117.07033	9.0
119.08585	56.5
121.06511	17.5
121.10131	43.4
123.08091	31.3
123.11797	3.5
128.06169	6.9
129.07004	12.3
130.07745	6.6
131.08580	27.5
133.06477	8.0
133.10138	24.0
135.08075	26.9
135.11699	5.9
137.05998	6.6
137.09637	11.8
138.06793	6.2
141.06972	5.1
142.07799	20.2
143.08548	22.5
145.10110	34.5
147.08038	28.2
147.11687	15.5
147.19356	3.6
148.08876	4.5
149.05980	3.8
149.09590	29.6
151.07533	37.1
153.06937	4.1
153.09096	29.1
155.08513	5.7
156.09337	6.3
157.10152	34.0
159.07993	5.7
159.11772	17.6
160.08806	5.5
161.09598	21.0
161.13257	4.9
163.11177	8.2
165.09140	42.5
169.10130	6.4
170.10838	4.8
171.08127	3.8
171.11647	7.6
173.09601	12.6
173.13190	7.4
175.11183	21.9
175.14845	10.0
177.09140	11.2
178.09891	4.0
179.08600	4.5
181.08604	41.3
183.11694	6.8
185.13280	17.9
187.11195	8.3
187.14874	4.3
189.12798	8.9
195.11713	4.5
199.11258	3.3
201.12726	10.7
203.06926	3.9
203.14325	31.0
207.06483	4.0
207.13795	12.9
209.13333	5.3
209.15338	5.6
215.14249	8.2
219.13795	11.0
221.13330	6.8
221.15381	76.7
225.12749	4.4
227.14243	4.3
231.13805	5.1
233.15291	9.8
234.16116	16.3
269.12506	3.9
286.19196	5.5
287.20068	9.9
299.20010	6.1
303.19543	13.0
306.58331	3.5
314.08344	3.8
323.09363	5.2
359.60944	7.0
365.24762	8.9
368.61572	4.0
383.15189	24.4
383.25748	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	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.9
55.05522	19.7
56.96573	3.2
57.03426	5.6
57.07092	8.3
58.54704	3.1
59.05000	6.7
63.27559	3.1
65.03955	5.1
66.17379	3.1
67.05507	37.9
69.03426	16.7
69.07075	13.6
69.63988	3.1
71.04992	7.4
71.57874	4.2
78.99335	4.2
79.05502	33.9
81.03404	7.3
81.07062	39.0
83.04986	7.6
83.08611	4.5
85.02928	5.6
85.06551	8.0
91.04958	6.0
91.05489	54.2
93.07051	100.0
95.04967	29.2
95.08617	45.7
97.02916	4.4
97.06541	11.6
105.04550	4.3
105.07036	84.3
107.04953	6.7
107.08601	42.0
109.06522	24.5
109.10161	23.3
111.08107	10.0
115.05459	5.3
117.07027	14.9
119.08582	54.1
120.09325	3.2
121.06522	31.0
121.10152	43.0
122.07291	4.3
123.08086	30.2
128.06223	8.0
129.07013	10.6
130.07793	4.1
131.08598	24.9
133.06470	10.8
133.07474	3.3
133.10121	26.6
135.08040	21.0
135.11731	6.1
137.06021	4.8
137.09633	13.4
138.06761	12.0
141.06990	6.4
142.07814	22.3
143.08536	23.9
145.10135	35.6
147.08043	25.3
147.11620	16.2
149.05959	8.1
149.09624	23.1
151.07550	31.8
153.09108	36.4
155.08583	5.3
156.09399	5.1
157.10132	37.6
158.07375	4.2
159.08054	11.6
159.11700	19.7
161.09622	17.7
161.13255	5.9
163.07660	4.7
163.11243	8.7
165.09143	38.8
169.10097	5.4
170.10876	7.2
171.11728	8.2
173.09654	11.1
173.11789	4.4
173.13280	7.8
175.11186	21.4
175.14754	7.8
177.09113	15.3
181.08617	60.8
181.10173	4.6
182.10936	4.2
185.13281	12.5
187.11194	7.1
188.11845	3.6
189.12723	12.0
191.14296	4.9
195.11777	4.3
197.13370	5.0
199.14835	4.2
201.12773	14.2
203.07054	11.4
203.14313	31.6
207.06639	9.6
207.13837	10.3
209.15273	4.3
210.13863	3.6
215.14407	6.1
216.14896	5.5
219.13795	6.2
221.13454	3.6
221.15361	74.4
221.17299	5.8
223.14944	4.8
227.14337	6.2
233.15480	7.1
234.16241	20.0
243.10674	7.3
269.12381	7.9
281.19061	5.6
286.19312	5.2
287.19986	8.3
301.20096	3.6
303.19522	5.3
309.07504	3.9
335.25778	4.1
361.88840	3.8
365.24753	12.0
383.10559	5.0
383.15280	27.6
383.20724	6.6
383.25739	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
55.01868	4.2
55.05514	17.3
57.07067	14.2
67.05502	30.2
69.03444	12.8
69.07065	8.9
69.26728	19.9
69.27148	8.2
71.04988	7.8
73.84695	3.1
79.05499	29.8
81.07060	38.7
83.04968	8.6
83.08615	7.8
85.06556	6.3
91.05487	39.1
93.07048	100.0
95.04965	29.1
95.08610	38.1
97.06544	14.9
103.05478	3.4
105.07038	78.4
107.04952	5.4
107.08595	41.1
107.67008	3.7
109.06516	21.9
109.10156	22.9
111.08070	10.6
115.05492	3.8
117.07027	12.2
119.08580	53.6
121.06523	17.4
121.10156	44.2
123.08060	27.1
123.11696	3.4
128.06229	6.0
129.06985	15.1
130.07776	5.1
130.50500	2.9
131.08580	28.4
133.06494	7.3
133.10133	31.5
135.08047	20.4
135.11707	7.1
137.06020	3.8
137.09624	9.7
141.06970	6.8
142.07782	21.7
143.08582	24.1
144.09392	3.2
145.10138	42.9
147.08087	19.7
147.11646	14.9
149.09616	24.0
151.07542	30.0
153.09148	4.3
155.08565	10.6
155.39810	3.1
156.09377	9.1
157.10143	31.8
159.08086	6.3
159.11711	14.8
161.09618	16.1
161.13261	6.8
163.11159	9.5
165.09125	39.9
169.10123	6.9
170.10912	5.8
171.08035	3.2
171.11661	10.1
173.09630	8.3
173.13367	6.8
175.11203	19.1
175.14850	8.4
177.09132	14.1
181.08635	6.3
181.10139	6.0
182.10939	4.1
183.11737	7.0
185.13280	14.4
187.11081	4.6
187.14799	6.4
189.12711	8.7
191.14323	4.5
197.13298	5.4
201.12738	8.9
203.14301	24.3
207.13858	9.9
209.13394	4.0
209.15376	4.7
213.12843	4.5
215.14345	12.4
216.15274	5.4
219.13908	7.8
221.15378	70.0
227.14439	4.8
233.15456	8.6
234.16161	14.0
243.13884	4.2
249.16284	4.1
276.37491	3.1
286.19360	7.3
287.19968	8.6
299.19983	7.3
303.19543	6.6
309.18375	3.8
347.23486	3.9
365.24744	10.7
383.15222	5.5
383.25818	73.4
384.26108	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	383.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01873	1.4
55.05513	0.6
57.07069	1.7
60.48643	0.4
61.14181	0.4
65.03938	0.7
65.12359	0.4
66.35464	0.4
67.05174	0.5
67.05510	6.1
69.07056	0.8
71.32433	0.7
79.05499	1.4
81.07067	1.5
85.06538	4.5
91.05486	3.9
93.07056	4.5
95.04975	1.1
95.08610	1.0
97.06515	0.6
103.05470	0.8
105.07037	9.8
107.08610	1.7
109.10168	1.4
115.05430	0.5
117.07047	3.4
119.04803	0.4
119.08593	6.0
121.06507	7.3
121.10207	0.5
125.06003	1.0
128.06171	0.6
129.07010	2.8
130.07780	1.7
131.08577	10.1
133.06476	1.3
133.10114	1.2
135.04361	0.7
135.08058	0.6
135.11775	0.5
141.07013	0.6
141.54176	0.5
142.07771	1.3
143.08607	0.9
144.04221	0.5
144.09363	4.9
145.10089	0.6
147.04417	0.7
147.08047	0.8
147.11688	0.5
147.57478	0.5
149.05980	1.9
149.09616	0.6
151.03888	2.3
151.07547	1.3
153.05492	0.6
157.10164	2.2
159.11700	63.3
160.12053	0.9
161.05994	3.6
164.04715	5.3
177.05482	25.1
177.12772	1.4
178.05817	0.6
179.06993	1.1
181.08568	0.5
189.01910	0.5
189.05344	0.5
192.04201	7.1
193.04784	0.5
193.63669	0.5
201.09149	0.5
203.07027	0.9
205.04968	27.2
206.05388	0.6
207.06535	100.0
208.06903	2.2
219.06528	0.5
221.15286	0.6
231.06688	0.5
257.04556	0.6
273.11047	0.5
285.11319	0.6
297.03955	2.0
297.11160	0.6
323.12711	0.7
327.08554	1.2
339.08640	1.0
340.08383	0.5
365.13660	0.6
365.17438	5.3
383.10849	1.1
383.14517	2.3
383.18719	12.3
383.26227	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01873	0.3
56.82227	0.3
67.05486	0.7
70.69472	0.7
70.69798	0.4
75.04478	0.4
78.04718	0.3
78.83040	0.3
79.05494	0.9
81.07034	0.5
83.04951	0.9
86.37498	0.3
87.85417	0.3
89.06020	0.5
91.05486	4.8
93.07037	1.5
95.04940	0.8
95.08595	0.4
105.04530	0.3
105.06980	0.5
106.04162	1.0
107.04965	0.9
108.05738	0.6
109.06509	0.9
109.10133	0.5
110.07271	0.6
115.98616	0.3
117.07024	0.3
119.04940	1.0
119.08586	0.3
121.06507	9.8
122.07295	4.3
123.04439	1.7
123.08057	1.3
134.03633	1.3
135.04439	0.6
137.05960	1.6
138.06764	16.6
139.07504	1.1
141.05528	0.4
141.07021	0.3
147.08038	0.6
149.02342	0.6
149.05989	13.0
151.07547	1.1
152.08351	0.4
153.09109	57.6
154.09433	0.9
161.02316	1.4
161.05962	0.7
164.04712	0.6
165.06940	0.3
166.06242	0.4
167.03394	0.3
169.24763	0.3
171.08076	0.3
175.03905	0.4
175.07608	0.5
179.07066	0.5
181.08598	100.0
182.08925	1.7
185.05994	0.9
187.03908	0.9
203.07040	8.8
203.08937	0.5
207.06554	0.8
215.07042	0.6
235.07620	0.4
243.10146	0.7
250.66333	0.3
253.08344	0.3
263.07022	0.7
266.09344	0.3
267.10217	0.9
277.08746	0.5
278.09427	0.3
279.10309	0.5
280.07544	0.5
291.10208	0.5
293.08246	0.5
295.09711	2.8
305.08231	0.3
309.11288	2.1
310.11963	2.1
319.09686	0.4
321.11337	0.9
323.09268	0.6
323.12817	1.1
337.10559	0.7
351.12381	0.8
383.14908	36.4
384.15250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1489
Annotation	Gancaonol A
Peak:m/z	Relative Intensity
52.61069	1.0
54.18915	0.9
55.01867	1.5
56.96576	1.7
57.34057	0.9
65.03951	7.0
67.05495	3.8
69.07058	3.7
69.91695	2.4
69.92092	2.0
77.03928	1.6
79.05492	4.0
81.07041	7.6
85.06584	1.1
90.84850	1.0
91.05485	8.3
93.03428	5.6
93.03908	1.0
93.07062	2.3
95.01265	1.1
95.04947	1.3
95.08623	1.7
97.06525	1.3
98.20740	1.1
98.97572	1.7
103.05473	2.2
105.03416	5.1
105.07030	3.4
107.04966	1.9
107.08593	2.2
109.02885	1.3
109.06489	1.0
109.10182	2.9
111.04436	3.0
119.04935	8.9
119.08593	2.1
121.02867	5.5
121.06536	2.2
121.10160	1.2
122.03676	1.7
123.04411	1.2
125.05984	1.2
129.07053	1.3
131.01285	2.9
131.04939	2.2
131.08604	2.3
133.02861	51.3
133.06496	1.4
135.04434	16.1
137.05983	12.9
141.05458	1.3
141.06723	0.9
145.06500	1.2
145.10155	1.0
147.04419	11.5
149.01144	2.4
149.02345	48.4
149.06020	1.2
151.05052	2.7
153.05475	8.9
157.06512	1.1
159.04422	35.4
159.08060	2.3
159.11655	1.6
161.05983	4.1
162.03223	1.1
163.03891	9.5
165.01849	4.5
165.05486	65.3
167.03401	42.4
171.32545	1.0
173.06099	1.8
175.03934	3.5
177.05490	22.1
178.06204	6.8
179.07042	6.2
181.05020	2.1
183.02861	2.1
185.06003	2.0
187.03896	5.1
187.07559	1.3
191.10751	3.2
201.05486	1.3
203.07014	7.9
205.05008	1.9
205.08600	6.9
207.06546	1.9
211.07585	2.8
213.05449	1.8
215.10690	37.2
217.44402	1.0
223.90208	1.4
227.10701	2.3
229.08769	3.0
236.43549	1.2
239.07092	2.2
243.10257	6.3
245.08119	3.6
247.09557	1.0
249.05449	1.4
255.10236	1.9
257.04370	1.4
257.08139	4.2
266.05734	1.6
267.06598	3.6
281.08017	1.8
283.09793	2.9
285.07605	8.5
287.05582	1.3
295.06085	3.6
297.03986	2.3
297.07495	1.0
299.09119	7.0
301.10809	2.5
309.07703	2.6
312.06290	1.1
327.08646	49.3
328.09109	1.6
351.12247	1.5
355.15387	4.6
359.04489	2.9
365.13867	3.7
369.79099	1.1
383.14905	100.0
384.14944	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	383.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
65.03920	0.5
67.05508	0.5
69.56389	2.4
75.04479	0.4
79.05482	1.2
81.07060	0.9
83.04989	0.6
86.81538	0.4
91.05483	3.7
93.07045	2.2
95.04972	1.4
95.08625	0.5
96.65997	0.3
105.03371	0.4
105.04510	0.4
105.07045	1.3
106.04171	1.4
107.04931	1.0
107.08581	0.4
108.05761	0.5
109.06532	1.3
110.07320	1.0
119.04977	1.0
119.06017	0.3
119.08546	1.0
121.06516	9.5
121.10135	0.6
122.07302	4.7
123.04434	1.3
123.08078	1.6
129.07056	0.4
133.02850	0.5
134.03635	1.8
137.05974	1.4
138.06773	15.9
139.07553	0.7
143.69312	0.3
144.05634	0.3
147.08040	1.1
149.02350	0.5
149.05991	10.2
151.04002	0.4
151.07524	1.1
152.08330	0.4
153.09116	58.3
154.09453	0.8
161.02406	1.7
161.05959	0.5
163.03888	0.3
165.05582	0.6
166.06300	0.3
181.08604	100.0
182.08943	1.2
185.05965	0.8
187.03926	1.3
203.07045	8.0
207.06511	0.7
215.06953	0.4
218.50389	0.3
221.15410	0.8
223.17033	0.3
243.10187	0.6
249.09242	0.4
263.07230	0.9
266.09482	0.5
267.10172	0.8
277.08664	0.7
278.09296	0.5
280.07272	0.6
291.10132	0.4
293.08160	0.8
295.09723	2.5
306.08752	0.4
309.11072	2.2
310.12067	1.6
310.46570	0.4
321.11215	1.0
322.56973	0.4
323.09219	0.6
323.12836	1.0
337.10620	0.5
351.12402	0.5
383.14932	33.3
384.15103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54956	1.6
51.85848	1.4
56.96556	1.8
57.03443	3.8
61.02915	3.6
69.03432	8.3
69.94806	7.2
74.02435	2.5
81.03421	8.9
82.02931	2.7
85.02908	33.7
87.04488	1.8
94.06575	2.8
97.02905	9.8
98.97583	3.8
99.04474	3.3
109.02869	4.4
109.44640	1.6
113.11476	1.6
116.10740	2.1
116.98579	2.5
117.05721	2.0
118.06581	5.9
127.03919	5.0
130.06538	64.0
130.13235	2.1
130.48253	1.4
131.06831	1.6
132.04462	19.7
132.08096	5.6
137.66725	1.8
142.06479	2.1
143.07312	2.5
144.08090	25.1
145.05080	2.3
145.07617	24.8
146.06023	13.9
148.07591	4.8
154.06502	5.2
156.08076	3.5
157.07622	65.1
158.06023	57.8
158.08095	1.7
159.09180	9.9
160.07602	5.1
169.07634	10.1
170.08357	1.7
171.09216	8.6
172.07581	11.9
173.07144	1.6
174.05524	6.5
175.08679	66.4
176.07092	3.8
181.07610	6.0
182.06010	1.9
182.08347	3.2
183.09193	14.4
184.06119	2.8
184.07632	4.1
185.07114	13.0
186.05530	4.6
186.07959	2.4
187.08633	2.5
188.07056	1.8
196.07565	3.1
199.08713	13.1
200.07106	21.6
201.10139	2.0
203.08162	100.0
204.06609	4.7
206.08438	1.8
207.09224	2.1
209.07089	7.9
213.06674	2.7
215.08221	3.8
216.08949	3.3
217.09752	34.0
221.09216	47.4
227.08290	12.0
228.06644	4.6
231.07675	7.4
245.09248	24.6
257.09286	2.2
258.07480	1.6
263.10324	42.2
275.10553	2.1
287.10373	1.9
299.10242	7.9
312.08417	2.1
316.43027	1.9
317.11218	1.7
327.77917	1.6
329.11298	4.0
347.12332	7.9
348.10953	9.3
351.18494	2.6
365.13419	24.3
383.14447	20.4
383.20865	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	383.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85900	1.5
53.57661	2.0
56.96564	28.3
57.03428	2.0
60.21038	1.5
60.25886	1.6
61.02926	3.7
63.90261	1.5
69.03423	7.0
71.57746	2.9
81.03408	3.3
84.96033	9.1
85.02912	6.2
86.03277	1.7
97.02908	6.1
98.97592	100.0
100.99162	4.4
101.00892	2.7
103.00618	1.7
110.97581	13.9
112.99156	8.9
115.02379	2.2
116.98628	33.3
119.00112	1.6
119.01931	4.5
123.30399	1.7
124.99146	4.2
125.00068	1.7
127.03940	2.2
128.98604	9.8
130.79263	1.8
131.00182	13.1
133.03427	1.8
134.99704	8.0
140.98650	3.3
143.00151	14.5
144.98134	3.0
145.01651	2.4
145.03461	4.3
146.99622	6.7
147.03162	1.6
147.05103	2.2
149.01192	3.4
155.00130	3.8
157.01701	3.8
157.03494	3.9
158.99695	8.3
161.01237	14.7
161.02969	2.6
165.00789	2.8
170.99681	5.5
173.01237	9.4
173.02705	3.0
174.11293	3.7
177.00735	6.9
179.02287	18.3
179.05800	2.0
189.00801	3.8
189.05945	2.6
190.35400	1.5
191.02309	4.9
191.03937	2.4
196.09453	7.3
197.03326	11.6
201.00760	5.3
203.02277	2.0
203.08018	1.8
207.01807	4.5
208.02431	1.9
208.99847	1.9
209.03319	1.9
210.11017	9.2
213.03273	2.1
219.01765	18.2
220.02095	1.9
221.03307	4.0
221.06798	2.4
223.01184	1.8
232.99701	3.1
233.03253	8.4
233.07080	2.2
235.04724	2.1
237.02847	26.1
239.04430	1.7
245.05055	2.1
251.00616	2.1
251.04367	29.2
263.04370	5.3
269.05475	52.2
277.05676	2.8
281.05515	2.2
287.06561	10.4
295.07001	6.2
297.04962	2.1
307.07068	2.6
311.06393	2.1
323.06485	61.0
323.10165	15.2
325.08115	2.5
337.08136	1.8
341.07565	64.5
355.09171	2.0
359.08701	4.2
364.09509	2.6
365.07712	2.7
383.08817	22.4
383.13535	3.7
383.20712	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	382.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76195	0.2
56.96285	0.4
56.96569	7.5
64.51435	0.2
67.10618	0.2
69.82864	0.8
69.83276	0.4
70.69428	0.2
71.95268	2.7
74.02252	0.3
90.62733	0.3
98.21485	0.3
98.97589	100.0
101.29001	0.3
116.98629	52.6
134.99670	16.4
140.00182	0.9
148.72099	0.2
153.00719	1.1
174.97702	0.4
177.01108	0.3
181.97325	0.4
214.95709	0.3
216.98686	0.7
234.99695	1.2
240.98625	4.8
256.96753	0.5
258.42053	0.3
258.99783	71.5
260.00040	2.0
261.00284	0.4
261.03043	0.3
274.97562	1.4
277.00836	76.5
278.01004	2.4
282.01297	1.7
291.02472	0.6
292.98575	0.8
295.01981	0.6
299.97836	0.4
300.02414	1.7
316.98947	0.4
317.98880	0.8
341.23926	0.5
360.00107	0.5
378.17554	0.4
382.99670	1.3
401.00955	3.9
402.01266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
55.05514	1.7
56.05046	1.1
58.06602	0.6
63.02356	0.6
69.03448	0.8
70.06612	1.0
71.04996	1.0
71.35791	0.7
72.08150	2.1
81.03405	0.8
81.07079	0.7
83.05001	3.3
84.08149	1.1
85.02907	0.9
85.06532	0.7
85.08936	1.0
86.09698	0.5
87.08111	0.5
89.03920	8.4
89.86082	0.5
91.05475	1.1
93.07058	0.8
96.08133	0.6
97.02890	0.9
97.06511	0.9
98.09693	0.8
98.49519	0.4
101.06068	0.7
102.05544	7.2
102.09175	1.1
103.05453	0.5
105.01852	0.5
106.04169	0.8
110.07202	0.8
110.09711	0.5
111.04433	1.0
114.09177	0.4
115.07558	1.3
116.10726	0.8
117.03386	29.4
119.04829	0.5
121.06504	0.7
121.10110	0.6
124.07584	0.8
126.09129	0.6
127.03938	0.7
128.10722	7.5
134.03627	1.8
135.04413	2.0
137.02336	1.9
140.07169	0.5
141.01852	0.7
143.07048	1.2
145.02850	66.9
146.03232	0.6
147.04399	0.5
149.05983	7.8
152.07027	0.5
156.10191	8.5
158.06044	0.5
160.13358	4.1
163.03983	0.7
165.01863	8.8
167.07024	0.7
169.03288	0.4
174.11263	7.1
177.05475	100.0
178.05779	1.5
183.02870	2.0
185.11711	0.5
186.05478	1.2
188.12828	8.8
206.13875	33.1
207.14156	0.8
229.10921	1.0
235.09428	0.4
251.08881	0.5
258.14905	2.0
273.13605	0.8
287.05469	1.4
287.12476	0.6
299.05505	37.2
302.17517	4.5
320.12991	0.6
320.18484	3.2
346.20297	1.2
364.21622	1.0
382.18710	11.1
382.22491	1.4
383.07498	1.5
383.12381	0.6
395.24811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	3.7
59.04993	2.2
69.03423	3.1
69.07076	2.4
71.21349	4.3
72.04520	10.4
85.02913	8.5
85.06536	6.1
87.08081	2.4
90.05560	55.1
95.04964	6.6
97.02875	4.0
98.02419	8.9
98.97598	3.6
100.03947	2.6
103.07571	3.1
109.02887	2.3
113.06055	2.4
116.03447	6.3
124.07597	7.7
142.08650	4.9
184.09659	7.6
202.10764	20.7
220.11807	100.0
323.09714	4.3
328.40488	1.7
382.16788	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	382.1711
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
66.66056	2.0
67.05508	4.0
69.07079	3.6
70.02961	4.1
71.09363	2.0
71.09698	2.9
72.04514	8.3
73.02941	2.8
83.04948	1.9
85.02889	6.2
85.06540	7.7
90.05560	58.7
90.81427	1.5
95.04990	2.5
98.02426	7.4
98.97596	2.8
100.03957	2.2
103.07588	3.2
113.06020	1.7
115.13280	1.7
116.03481	10.2
124.07629	8.5
142.08662	4.6
144.10091	1.8
147.04359	1.5
184.09659	14.2
202.10727	17.7
220.11816	100.0
244.38489	1.6
339.44943	1.6
346.11804	2.0
382.16888	2.7
383.09436	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	381.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
54.09893	1.0
55.05523	0.9
56.96571	24.0
61.02922	1.0
67.05499	1.7
67.56139	0.9
69.07047	2.1
70.14812	0.8
71.04993	1.4
71.57597	1.2
71.95265	3.4
74.97633	1.3
79.05488	3.9
81.07063	6.0
83.04991	1.0
84.96028	2.1
88.60046	0.9
91.05477	2.4
93.07039	3.0
95.08588	2.5
97.06532	1.5
97.45737	0.9
97.96812	2.2
98.97593	4.3
100.76205	1.0
102.50716	0.9
105.00127	1.4
105.07054	2.9
107.08629	1.6
109.02875	2.8
109.06502	1.5
109.10104	1.2
110.97572	8.0
112.99183	1.3
116.98627	1.6
117.07000	1.0
119.04897	1.2
119.08588	1.4
121.10191	1.2
124.32594	1.1
128.06232	1.8
128.98604	8.8
129.06984	1.2
131.08632	2.0
137.02719	1.5
143.00204	2.1
143.08594	1.5
145.06497	1.1
145.10130	1.2
146.99658	3.8
147.11621	1.1
151.03925	4.6
152.00133	0.9
153.05482	1.1
155.03886	1.0
160.05197	1.3
161.01183	2.1
161.02353	1.2
167.03667	1.1
171.03282	2.0
171.08043	3.3
175.03932	8.8
184.05220	2.9
185.04794	2.0
186.02072	1.1
187.03951	6.6
193.01651	1.1
195.13405	0.9
197.04764	1.6
199.06421	4.8
199.07808	2.3
201.05569	1.0
203.07152	9.7
205.05016	1.7
207.06963	1.3
211.02765	3.6
211.06435	3.8
213.05637	1.4
213.07814	2.1
214.05067	2.7
217.07318	5.8
219.10210	2.0
225.04396	2.8
225.08043	3.4
227.07114	11.2
229.07439	20.9
231.09041	2.6
239.05867	1.2
239.09590	2.9
241.11153	1.3
243.08966	2.6
247.08522	11.7
251.09581	3.4
252.09259	2.3
253.11227	2.4
255.06609	1.6
255.09048	4.8
257.10614	1.8
259.12079	1.6
263.07138	3.1
265.11096	7.4
268.09827	4.1
269.10574	9.0
273.10150	3.4
279.09125	2.0
280.09726	2.0
281.10785	1.3
283.12207	19.8
285.07736	1.3
286.11005	1.5
287.11594	2.6
293.11264	1.6
297.07446	1.6
301.13254	6.2
311.11688	3.2
315.16312	2.0
321.07681	1.1
321.11072	4.9
323.09283	1.2
329.12817	3.0
331.15811	8.7
333.07590	1.9
333.17386	2.7
337.10483	1.5
349.10574	3.6
349.16803	8.7
351.08395	1.1
351.18307	2.8
363.12256	3.4
363.18503	2.9
365.10062	1.2
381.13336	63.8
381.19449	100.0
381.26291	11.6
382.13525	2.8
382.19577	4.3
393.68930	1.1
399.20602	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	381.1335
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
55.01855	0.5
67.05504	0.6
71.38529	0.4
79.05486	0.9
81.07061	0.9
82.76621	0.4
91.05473	1.5
93.07021	0.6
95.01285	0.4
95.04983	0.4
95.08608	0.5
105.07041	0.5
107.04926	0.7
109.06539	0.8
115.05405	0.5
117.07000	0.4
119.04967	2.6
119.08601	0.6
121.06473	0.5
125.05999	0.6
129.06972	0.8
131.04935	0.6
135.04427	0.9
137.06018	0.5
144.05716	0.5
145.06503	1.0
147.04405	0.4
147.08136	0.4
148.05295	0.4
149.02373	1.1
149.05981	0.8
151.07533	1.2
153.05502	0.5
157.06505	0.6
159.04425	0.6
159.08044	0.5
159.11720	0.3
160.05197	0.5
161.02345	1.5
161.05991	1.2
163.03943	0.8
165.09157	0.4
167.03445	0.7
173.05994	1.1
175.03928	4.7
175.07507	0.5
178.06335	0.4
179.07048	0.5
185.05957	2.1
187.03928	11.8
187.07436	0.4
189.05499	1.1
195.08093	0.5
201.05460	1.9
203.07065	5.0
205.04997	2.6
213.05464	2.3
219.08072	0.7
232.08850	1.0
235.07635	1.1
239.07120	0.7
241.08707	0.5
245.09698	0.4
247.07478	0.5
249.09235	0.7
249.12653	0.4
250.10066	0.7
251.07138	0.6
253.08574	0.7
260.08383	1.1
261.09235	0.7
262.09894	0.6
263.07129	4.8
264.08020	0.4
265.12323	1.0
267.06555	0.5
267.10281	1.0
275.10684	1.3
277.08667	1.1
278.09387	2.5
279.06567	0.6
279.10175	0.8
281.08194	1.0
289.08493	0.5
291.06549	1.9
291.09671	0.5
293.11707	2.2
295.06219	0.5
295.09668	0.8
303.07010	0.4
303.10217	1.5
305.08154	1.4
306.08887	1.7
307.06067	0.4
307.09509	0.7
310.68588	0.4
319.06079	0.8
319.26379	1.0
320.10712	0.5
321.11237	6.7
321.14868	0.9
321.24283	1.2
323.09189	1.6
331.09680	1.5
333.07550	1.8
334.08371	1.2
335.09186	1.8
337.10760	1.4
345.24200	0.8
347.09048	0.7
349.10715	5.9
350.11148	0.5
351.08649	4.6
353.13956	0.9
363.12378	1.6
363.25241	0.4
365.10229	2.8
366.11014	2.3
381.13354	100.0
381.26324	2.2
382.13651	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	381.1336
Annotation	Vellokaempferol 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
50.23502	0.5
51.55783	0.6
55.01861	0.8
55.46430	0.6
56.96553	0.7
65.03946	4.7
67.05499	1.6
69.07068	0.7
69.24868	0.6
71.49789	1.0
73.88257	0.6
77.03985	0.8
79.05481	1.1
81.07064	1.8
83.04967	0.6
91.05479	5.4
93.03417	3.8
93.07060	1.2
95.08590	1.2
97.06520	1.1
100.22790	0.6
103.05459	1.2
105.03411	1.5
105.07046	2.0
107.04922	0.9
107.08598	0.8
108.02083	0.9
109.02866	0.9
109.06544	1.1
111.04472	4.1
116.98659	0.8
119.04940	6.2
119.08565	1.5
121.02881	2.5
121.06516	2.7
125.05984	2.3
128.06253	0.8
129.07027	1.4
131.04828	0.9
133.02863	22.8
135.04401	1.5
137.05977	5.1
139.03935	0.6
141.05449	0.9
141.71471	0.6
142.07793	1.0
143.08560	1.0
147.04434	9.7
147.08046	4.1
149.02354	1.8
149.05983	2.4
151.03914	1.1
151.05022	2.2
152.45766	0.8
153.05479	14.2
153.06735	0.9
157.10123	1.5
159.04430	2.2
161.02364	4.8
161.05995	3.6
161.09615	0.6
162.03148	1.7
163.03915	10.7
165.05496	15.7
165.06940	0.6
167.03430	1.4
167.08563	0.9
169.06493	0.9
170.07257	2.0
171.08090	1.8
173.05968	1.1
175.03893	1.6
175.07539	0.8
177.05479	33.4
178.06259	27.7
178.07828	1.4
179.07027	1.8
185.05972	2.2
185.09694	0.9
187.03920	2.2
189.09143	7.4
193.04913	0.7
193.08365	0.7
195.08066	14.0
198.06767	8.2
199.07491	0.9
203.07033	32.1
205.05008	3.2
206.05861	1.2
207.06558	1.2
211.07465	0.6
213.09114	54.8
215.10561	1.0
217.08609	0.8
223.07684	0.8
229.08585	1.2
241.08618	8.9
265.05081	2.4
285.07648	0.9
313.07159	1.8
321.10938	1.1
321.24365	0.7
333.07443	0.8
338.11401	0.7
349.10803	2.2
351.08374	0.8
351.12250	0.9
353.13770	6.6
358.15405	0.9
363.12329	1.7
381.13351	100.0
381.26520	2.5
382.13626	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1334
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
53.03957	0.2
53.10838	0.2
55.05511	0.4
56.96331	0.3
56.96570	3.8
65.03930	0.3
67.05508	0.8
68.99786	0.2
69.03408	0.2
69.07082	0.5
71.04973	0.2
71.95246	0.7
79.05499	1.3
81.03416	0.5
81.07058	2.0
83.08591	0.4
84.96030	0.4
85.02905	0.3
85.77700	0.2
91.05481	1.0
93.07063	0.6
95.01303	0.4
95.04967	0.6
95.08611	0.3
97.06506	0.2
97.96802	0.4
98.97570	1.0
103.05483	0.3
105.03364	0.3
105.07011	0.7
107.04958	0.9
107.08578	0.6
109.02879	0.8
109.06502	0.9
109.10171	0.3
110.03632	0.3
110.97591	1.4
115.05475	0.6
116.98592	0.3
117.07029	0.7
119.04958	2.6
119.08560	0.7
121.02863	0.3
121.06528	0.3
124.99053	0.3
125.05977	1.1
128.06264	1.1
128.98633	1.7
129.06992	1.4
131.00191	0.2
131.04919	0.5
131.08569	0.3
132.05736	0.6
132.28154	0.2
133.02870	0.4
133.06502	0.3
133.10095	0.4
135.04430	0.8
135.08061	0.4
137.05934	0.4
139.07520	0.4
141.06946	0.3
143.00165	0.4
143.08572	0.7
145.06485	0.6
145.10100	0.4
146.99660	0.9
147.04442	0.8
147.08037	0.7
148.05211	0.4
149.02345	1.0
149.05963	0.3
151.03902	0.4
151.07526	0.9
152.06198	0.3
153.05482	1.1
153.06944	0.4
156.05609	0.3
157.06454	0.5
157.10135	0.3
159.04422	0.5
159.11754	0.2
160.05238	1.7
161.01199	0.4
161.02336	1.7
161.05991	1.5
163.03906	1.0
164.04707	0.3
165.05508	0.3
167.03421	0.5
167.07024	0.4
169.06468	0.4
171.03209	0.4
171.08006	0.6
173.02357	0.3
173.05986	1.3
175.03911	5.0
175.07526	1.0
176.04654	0.3
177.01910	0.4
178.06248	0.4
179.03453	0.5
181.05017	2.2
181.06438	0.4
184.05212	4.5
185.06052	1.9
187.03915	11.8
187.07578	0.4
188.04483	0.3
188.39180	0.2
191.03427	0.3
193.01854	0.3
193.04997	0.8
195.08165	0.5
197.04736	0.4
199.06331	0.7
199.07771	0.5
201.05492	1.6
202.06197	0.4
203.07076	7.6
205.01292	0.5
205.04982	2.8
205.06851	0.3
205.07492	0.3
206.05725	0.5
209.05904	0.3
209.09529	0.3
211.02812	0.7
213.05511	3.1
213.07825	0.5
214.05196	0.3
217.07443	0.6
219.06403	0.4
219.08231	0.4
223.07481	0.3
224.08467	0.3
225.04323	0.3
225.07930	0.6
227.07039	20.1
228.07385	0.5
229.07382	1.7
231.09201	0.3
232.06604	0.3
232.08839	1.0
235.07562	1.0
236.08090	0.3
237.09109	0.3
239.06989	0.6
239.09418	0.3
241.08495	0.5
243.09006	0.4
244.08870	0.3
247.07875	0.5
248.08472	0.3
249.09019	0.7
249.12747	0.3
250.09889	0.5
251.06947	0.8
251.09621	0.9
253.08638	0.8
253.11086	0.5
255.09122	1.0
257.10513	0.3
260.08264	0.7
261.09030	0.8
262.09851	0.5
263.07071	4.5
264.07687	0.4
265.11288	1.6
267.06436	0.4
267.10147	0.5
268.07150	0.2
268.09903	0.8
269.10605	1.4
271.12170	0.3
275.10562	1.4
277.08566	1.0
277.12250	0.4
278.09378	3.0
279.06439	0.6
279.09772	0.7
281.05276	0.3
281.08099	1.3
282.08701	0.3
283.09503	0.7
283.12192	4.1
287.11639	0.4
288.07751	0.4
289.08511	0.4
291.06519	1.8
291.09937	0.4
293.08447	0.4
293.11691	2.6
295.05997	0.8
295.09613	1.1
297.07492	0.5
301.13254	1.3
303.06909	0.4
303.10144	2.2
305.08038	1.3
305.14197	0.3
306.08847	2.4
306.13837	0.4
307.06107	0.5
307.09552	0.7
307.13046	0.3
309.07449	0.3
311.09070	1.0
311.12109	0.5
315.16367	0.4
316.07495	0.3
319.06000	1.3
319.09604	0.6
320.10410	0.3
321.07858	0.4
321.11200	7.5
322.11743	0.3
323.09189	1.4
325.14343	1.6
327.08640	0.3
329.12909	0.5
331.09689	1.1
331.15796	1.2
333.07587	2.6
333.17429	0.8
334.08264	1.3
335.09137	1.5
336.06277	0.3
337.10626	1.2
339.08804	1.3
339.12115	0.3
345.11432	0.3
347.09137	0.8
348.09793	0.4
348.57724	0.3
349.10693	5.2
349.16977	1.6
350.11252	0.5
351.08701	2.6
351.18317	0.6
353.13953	1.5
363.12277	2.4
365.10272	2.1
366.11029	1.5
381.13275	100.0
381.19293	17.3
381.26508	1.7
382.13693	3.6
382.19479	0.4
399.20474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1331
Annotation	Vellokaempferol 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.03942	0.6
55.01871	1.2
65.03931	4.4
67.05503	1.6
68.99798	1.0
69.03403	0.5
69.07050	0.7
69.64828	0.8
69.65229	2.8
70.63235	0.4
79.05480	1.9
81.07069	2.3
83.04973	0.5
85.02893	1.1
91.05491	5.0
93.03409	4.1
93.07045	0.7
95.04948	0.9
95.08609	0.9
97.06534	1.3
101.45053	0.5
103.05502	0.6
105.03394	0.9
105.07005	1.4
107.04939	1.0
107.08593	0.7
108.02116	0.8
109.02882	0.5
109.06498	2.0
109.10121	0.6
111.04465	3.4
119.04953	6.9
119.08590	1.6
121.02872	2.8
121.06500	2.3
121.10157	0.6
122.03617	0.6
125.05994	2.5
128.06221	1.3
129.06976	1.6
131.04945	0.8
131.08536	1.0
132.31668	0.5
133.02853	17.6
133.10098	1.1
134.03638	0.5
135.04431	1.5
137.05994	4.8
139.03896	0.7
141.05495	1.3
141.06877	0.5
142.07773	0.8
143.08600	1.0
143.11938	0.5
147.04424	11.2
147.08070	8.0
149.02357	1.3
149.05968	1.9
151.03934	0.9
151.05022	3.0
152.06277	0.8
153.05473	15.1
153.06770	1.0
155.08604	0.7
157.06496	0.9
159.04443	2.7
161.02330	4.0
161.06006	3.1
162.03116	1.8
163.03912	8.9
165.04135	1.1
165.05495	15.2
165.06873	0.8
167.03395	1.7
167.08617	0.7
169.06519	1.2
170.07266	2.1
171.04404	0.6
171.08044	2.3
173.06049	1.5
173.09579	0.7
174.06747	0.6
175.03940	1.7
175.07544	1.2
177.05482	22.9
178.06259	23.0
178.07825	1.2
179.07120	2.5
185.06003	2.7
185.09734	1.2
187.03798	0.5
187.07458	0.6
189.09113	12.8
190.09283	0.6
193.04967	6.4
195.08057	16.6
196.08490	0.6
197.05859	0.8
198.06772	10.2
199.07520	1.5
203.07039	29.0
204.07414	0.6
205.04950	1.6
206.05678	0.9
210.00195	0.7
211.07556	0.7
213.09109	53.1
214.09503	1.6
215.10689	0.9
217.08603	0.6
223.07549	0.8
227.07013	0.6
229.08553	0.7
235.07588	0.6
236.01151	0.6
241.08620	8.4
255.51787	0.5
263.07092	0.7
277.08536	0.8
284.06909	0.7
293.08023	0.6
299.04303	0.5
303.10141	0.6
305.08099	0.6
313.07388	0.6
321.11224	1.6
323.09131	1.7
331.09744	0.7
333.07745	1.1
335.09277	2.8
335.12766	1.0
342.05865	2.2
349.10745	2.5
350.11459	1.6
351.08600	4.4
353.13818	7.0
357.07935	0.8
360.06757	3.9
363.12192	2.7
366.06000	1.3
366.10895	1.3
381.08914	5.9
381.13333	100.0
382.13724	3.1
384.06949	1.7
399.09375	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	381.1336
Annotation	Vellokaempferol 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.03940	1.2
55.01867	0.9
55.05521	0.7
56.96568	4.9
57.51815	0.6
65.03935	1.8
67.05502	2.6
69.03443	0.8
69.07062	2.0
69.26669	1.1
69.27002	5.9
71.04987	0.7
79.05504	3.5
81.07066	3.1
83.04963	1.1
85.06553	0.6
91.05479	4.5
93.03387	1.5
93.07050	1.6
95.04988	1.3
95.08614	2.1
97.06534	1.3
98.97591	1.0
103.05497	0.7
105.03408	2.0
105.07040	2.2
107.04971	1.6
107.08604	2.2
109.06550	1.2
109.10197	1.4
110.97583	1.2
111.04466	1.8
116.98663	0.7
119.04968	5.0
119.08624	2.3
121.02886	1.9
121.06517	1.8
121.10183	1.5
123.08041	0.6
125.06025	1.8
127.16558	0.6
128.06229	1.2
128.98619	1.0
129.07045	1.0
131.04898	0.7
131.08569	1.1
133.02853	9.2
133.10147	1.4
135.04431	1.0
137.06012	2.3
141.05475	0.7
143.08595	1.6
145.06479	0.7
145.10141	0.8
146.99567	0.7
147.04433	7.0
147.08078	2.8
147.11670	0.7
149.02367	1.3
149.06026	1.2
151.05154	1.5
151.07570	0.6
153.05479	7.1
157.10094	1.0
159.04433	1.7
159.11664	0.9
161.02376	2.6
161.06039	2.4
161.09590	0.7
163.03976	2.4
165.01666	0.6
165.05508	7.0
167.03462	1.0
169.06528	0.7
170.07263	1.1
171.08069	1.3
173.01141	0.7
173.06024	1.1
175.03897	1.8
175.11330	0.7
177.05498	20.6
177.07027	1.1
178.06279	12.3
178.07814	1.1
179.03549	0.7
179.06984	1.4
181.05054	0.9
185.06088	1.2
185.09622	1.3
187.03941	2.6
189.09100	4.9
195.08040	8.8
197.06041	1.0
198.06821	4.4
199.07733	1.1
203.07054	18.5
205.05043	3.3
213.09132	36.6
214.09378	0.7
215.10605	0.9
217.07552	1.3
217.73291	0.6
223.07619	1.2
227.06984	0.8
229.05069	1.0
229.07416	7.8
235.07581	1.0
237.05614	0.7
239.07104	0.7
241.08737	5.0
241.10890	1.1
247.08643	4.0
249.09184	0.8
253.11281	1.0
255.06500	1.6
261.09137	0.9
263.06961	1.1
265.08609	0.6
267.06464	1.0
267.09171	0.7
275.10712	0.9
277.08600	2.7
278.09280	1.2
279.10211	1.1
280.07370	1.6
285.07602	1.2
288.07681	0.8
289.08704	0.9
293.11539	0.9
295.06461	0.8
295.09628	2.9
297.07599	2.6
303.10208	1.0
305.08197	1.3
306.08762	1.0
307.09717	0.7
307.13110	0.9
311.05576	2.2
311.08878	0.7
313.07217	1.1
316.07687	0.6
319.09769	0.8
321.11209	2.3
323.09140	1.1
323.87427	0.7
325.07217	0.7
331.16071	0.9
333.07529	1.1
335.09030	1.1
335.12793	6.0
345.11856	0.6
349.10626	4.0
349.16995	1.0
351.08759	1.0
351.12454	1.0
353.13812	5.6
363.12241	6.3
381.09659	5.6
381.13431	100.0
381.19440	12.7
382.13962	3.1
398.87473	0.7
399.20657	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	381.1332
Annotation	Vellokaempferol 3,5-dimethyl ether
Peak:m/z	Relative Intensity
50.42118	0.1
53.03936	0.1
55.01863	0.4
55.05505	0.1
57.03431	0.1
58.23574	0.1
65.03942	0.2
67.05509	0.2
68.99792	0.2
69.03411	0.4
69.31432	0.7
69.31848	0.3
77.03925	0.1
79.05490	1.0
79.26289	0.1
81.07034	0.2
83.04980	0.3
85.02919	0.2
88.22987	0.1
91.05482	1.0
95.01331	0.2
95.04980	0.6
103.05439	0.1
105.03432	0.7
105.07022	0.4
107.04957	1.0
109.02888	0.2
110.03659	0.3
115.05437	0.8
117.07005	0.3
119.04964	0.3
119.08582	0.3
121.02890	0.1
123.04448	0.5
125.06022	0.7
128.06229	0.8
129.07007	1.4
130.07768	0.1
131.04948	0.6
131.08560	0.2
133.02867	0.1
133.06512	0.3
135.04402	0.8
137.09518	0.1
139.03926	0.2
139.07520	0.2
141.06995	0.7
143.08496	0.2
144.05678	0.1
145.06488	0.4
146.03641	0.2
147.04402	1.7
147.08044	0.4
148.05214	0.2
149.05937	0.1
151.03926	0.4
151.07564	0.4
152.06248	0.3
153.05545	0.6
153.06999	0.5
153.50725	0.1
155.08492	0.1
157.06499	1.4
158.07249	0.3
159.04448	0.5
159.08075	0.2
161.02313	0.2
161.05995	0.8
162.03130	0.5
163.03903	0.5
163.07570	0.1
165.05547	0.3
165.07018	0.8
166.07681	0.1
167.07053	0.7
167.08488	0.3
168.05737	0.2
169.06476	0.9
170.07281	0.2
171.04398	0.6
171.08051	0.3
172.05231	0.1
173.05995	0.7
174.06764	0.1
175.03929	0.8
175.07524	1.8
176.04669	0.2
177.05414	0.2
178.06253	0.3
178.07744	0.2
179.08591	0.3
181.04956	0.4
181.06506	1.2
182.07288	0.4
183.04407	0.3
183.08073	0.5
184.05220	0.6
185.05986	2.4
186.06764	1.1
187.04015	0.1
187.07523	0.5
189.05463	0.2
189.07005	0.1
190.76381	0.1
191.07040	2.0
191.08568	0.1
193.04903	0.1
193.06479	0.2
194.07300	0.3
195.08041	0.7
196.05217	0.2
196.08847	0.3
197.05975	1.1
198.06720	1.2
199.03943	0.3
199.07509	1.0
200.08305	0.1
201.09117	0.1
202.07817	0.5
203.07014	0.8
203.08598	0.4
204.09415	0.2
205.04935	0.2
205.06610	0.2
206.07263	0.1
207.08104	0.4
209.05943	0.6
209.09689	0.1
210.06721	0.5
211.04001	0.2
211.07556	1.1
212.04703	0.2
212.08287	0.4
213.05498	1.0
213.09027	0.2
214.06239	0.6
215.06966	0.3
215.08649	0.3
216.09457	0.1
217.10133	0.3
218.07243	0.3
219.08080	0.5
220.08817	0.2
221.06021	0.6
221.09666	0.3
222.06700	0.4
223.07527	0.8
224.04645	0.2
224.08376	0.9
225.05536	0.9
225.08994	0.3
226.06221	0.4
227.06815	0.6
227.10544	0.2
228.07791	0.2
229.08504	1.3
231.08141	0.8
232.08904	0.7
233.06148	0.2
233.09656	0.7
234.06871	0.3
235.07574	0.8
235.11185	0.2
236.04671	0.2
236.08344	0.4
237.05428	0.6
237.09137	0.3
238.06245	0.2
239.07010	1.0
239.10686	0.1
240.04228	0.2
240.07823	0.5
241.04938	0.3
241.08632	0.5
242.05569	0.8
243.08186	0.2
243.10278	0.3
244.08725	0.2
245.05983	0.2
245.09555	0.8
246.10318	0.2
247.07555	0.5
247.11186	0.2
248.08331	0.5
248.11993	0.2
249.05501	0.4
249.09135	0.9
250.06339	0.4
251.07007	0.9
251.10802	0.2
252.07791	1.4
253.04974	0.7
253.08603	0.2
254.05708	0.3
255.06372	1.0
255.10220	1.0
257.08044	2.2
259.07709	0.7
260.08337	0.6
261.05402	0.2
261.06323	0.2
261.09079	1.5
262.06323	0.3
262.09885	0.4
263.07333	0.6
263.10513	0.8
264.04266	0.1
264.07687	0.2
265.05038	0.3
265.08716	0.4
265.12085	0.2
266.05835	0.2
267.06543	3.1
267.10095	0.5
268.04404	0.2
268.07272	0.9
269.04517	0.2
269.08087	0.5
270.09012	0.3
271.07593	0.4
272.08151	0.2
273.05753	0.2
273.09055	0.9
274.09866	0.3
275.07050	0.4
275.10666	0.8
276.07782	0.3
276.11432	0.7
277.05469	0.2
277.08588	1.3
278.05945	0.2
278.09323	0.3
279.06531	1.7
279.10068	0.4
279.13397	0.1
280.07373	0.7
281.04913	0.6
281.07791	0.6
282.05194	0.3
282.08710	0.1
283.06042	3.0
283.09650	1.3
285.09195	0.3
287.07007	0.5
287.10318	0.2
288.07770	0.7
289.08612	1.3
290.05817	0.2
290.09393	0.4
291.06561	0.6
291.10178	1.9
292.07281	0.4
292.10916	0.5
293.05252	0.1
293.08133	0.5
293.11389	0.2
294.05435	0.1
294.08810	0.2
294.12280	0.2
295.06046	3.6
295.09662	0.7
296.06784	1.2
297.07565	3.1
297.14868	0.4
298.08426	2.0
299.09351	0.9
301.08588	0.9
302.09320	0.5
303.06613	0.3
303.10138	1.4
304.07349	0.3
304.10901	0.7
305.08072	1.7
305.11398	0.2
306.08798	0.5
307.05978	0.9
307.09656	0.9
307.12952	1.2
308.06839	0.4
309.07590	1.1
309.11237	1.9
311.09134	15.1
312.09567	0.7
314.09283	0.2
315.10257	0.2
316.07367	0.4
317.08179	0.9
318.08813	0.2
319.06537	0.1
319.09656	3.7
320.06888	0.3
320.10394	1.2
321.07645	0.3
321.11230	1.2
323.09140	6.2
324.09656	0.5
325.10770	0.2
325.14282	0.3
329.07986	0.4
330.08804	0.2
331.09705	1.3
332.10410	0.9
333.07529	1.0
333.11108	0.2
334.08215	0.3
335.09091	1.8
335.12857	2.6
336.13394	0.3
337.10730	3.8
338.11389	1.1
345.07419	0.1
345.11298	0.3
347.09155	3.5
348.09915	1.1
349.10721	0.3
350.11484	0.4
351.12262	0.4
353.13846	9.6
354.14398	0.3
363.12280	6.0
364.12744	0.3
365.10187	0.7
366.10886	0.2
381.13333	100.0
382.13696	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	381.1334
Annotation	Vellokaempferol 3,5-dimethyl ether
Peak:m/z	Relative Intensity
53.03936	0.1
55.01854	0.4
55.05492	0.2
65.03943	0.3
67.05508	0.2
68.99788	0.3
69.03415	0.5
70.84194	0.1
70.84531	0.2
77.03920	0.2
77.66593	0.1
79.05124	0.1
79.05501	1.2
81.03413	0.1
81.07048	0.3
83.04961	0.2
91.05469	0.8
93.07067	0.2
93.11016	0.1
95.01311	0.2
95.04965	0.6
103.05440	0.2
104.24200	0.1
105.03400	0.7
105.06998	0.4
107.04957	1.0
107.08552	0.1
109.02867	0.2
109.06524	0.1
110.03635	0.2
115.05456	0.6
117.07003	0.3
119.04930	0.3
119.08546	0.4
121.06527	0.1
121.10171	0.1
123.04423	0.4
125.05998	0.7
128.06233	1.0
129.07007	1.2
131.04936	0.5
131.08583	0.1
132.05652	0.1
133.02829	0.3
133.06448	0.4
134.03667	0.1
135.04442	0.5
136.05122	0.1
137.09615	0.1
138.19797	0.1
139.07492	0.3
141.06987	0.8
143.08533	0.2
144.05714	0.1
145.06471	0.4
146.03635	0.2
147.04399	1.5
147.08026	0.4
148.05115	0.2
151.03882	0.4
151.07536	0.4
152.06184	0.2
153.05603	0.7
153.06966	0.6
154.07755	0.2
155.04825	0.1
155.08543	0.2
157.06503	1.5
158.07228	0.3
159.04419	0.4
159.08040	0.3
160.05209	0.3
161.02313	0.2
161.05984	0.7
162.03111	0.5
163.03923	0.6
163.07533	0.3
164.04758	0.1
165.05630	0.2
165.06990	0.6
166.07822	0.1
167.07123	0.8
167.08481	0.2
168.05684	0.3
169.06474	0.7
170.07172	0.1
171.04395	0.7
171.08055	0.5
172.05197	0.2
173.05968	0.7
174.06723	0.3
175.03870	0.7
175.07545	1.4
177.05446	0.2
177.09157	0.1
178.06187	0.2
178.07770	0.3
179.07016	0.2
179.08588	0.2
181.04915	0.5
181.06487	1.1
182.07256	0.4
183.04335	0.3
183.08026	0.7
184.05206	0.5
185.05986	2.2
186.06752	1.1
187.07507	0.5
189.07007	0.2
191.07042	2.1
191.08626	0.1
193.04951	0.2
193.06474	0.2
193.10115	0.2
194.07298	0.3
195.08121	0.6
196.05153	0.2
196.08806	0.3
197.05986	1.3
198.06744	1.4
199.03908	0.2
199.07571	0.8
200.04637	0.1
201.09067	0.2
202.07799	0.4
203.07005	0.9
203.08606	0.5
204.09381	0.2
205.06592	0.2
205.10167	0.2
206.07326	0.1
207.06406	0.3
207.08104	0.4
208.05052	0.1
209.06004	0.9
210.06728	0.4
211.07521	1.3
212.04695	0.2
212.08272	0.5
213.05414	1.0
214.06207	0.7
215.06960	0.5
215.08644	0.4
217.10193	0.2
218.07329	0.3
219.06366	0.3
219.08098	0.5
220.08893	0.1
221.06013	0.6
221.09618	0.4
222.06697	0.2
223.07530	0.7
224.04710	0.1
224.08310	0.9
225.05447	0.6
225.09099	0.3
226.06137	0.4
227.06952	0.7
227.10693	0.2
228.07655	0.2
229.08516	1.3
229.10216	0.1
231.08084	0.9
231.10062	0.2
232.08919	0.5
233.05969	0.1
233.09641	0.6
234.06735	0.4
235.07573	0.7
235.11153	0.4
236.04552	0.1
236.08328	0.3
237.05441	0.6
237.09131	0.3
238.06053	0.2
239.07045	1.4
240.04198	0.3
240.07687	0.7
241.04926	0.4
241.08536	0.5
242.05594	0.9
243.08067	0.3
243.10251	0.2
244.08823	0.2
245.05957	0.2
245.09584	0.8
246.06664	0.1
246.10310	0.2
247.07590	0.4
247.11182	0.3
248.08492	0.6
248.12024	0.2
249.05322	0.5
249.09187	1.0
249.75418	0.1
250.06184	0.3
251.07040	1.1
251.10828	0.3
252.07794	1.6
253.04958	0.8
253.08470	0.3
254.05759	0.3
255.06364	1.4
255.10172	1.1
257.05759	0.1
257.08057	2.4
259.07620	0.7
260.08264	0.7
261.05460	0.2
261.06290	0.2
261.09106	1.4
262.06259	0.2
262.09802	0.3
263.06952	0.7
263.10611	0.8
264.07819	0.4
265.05060	0.3
265.08539	0.5
265.11206	0.1
266.05722	0.3
267.06528	3.3
267.10059	0.5
268.07309	1.0
269.04489	0.2
269.08099	0.4
269.11691	0.1
270.08862	0.3
271.07513	0.4
272.08145	0.3
273.05579	0.2
273.09097	0.9
274.09833	0.4
275.07047	0.4
275.10693	1.0
276.08194	0.5
276.11127	0.6
277.05420	0.2
277.08582	1.1
278.05664	0.2
278.09360	0.3
279.06519	1.7
279.09976	0.3
279.13705	0.2
280.07288	0.8
281.04474	0.4
281.07996	0.5
281.11185	0.1
282.05197	0.3
282.08859	0.3
283.06018	3.5
283.09634	1.5
284.06802	0.2
285.09036	0.3
286.09839	0.2
287.07108	0.6
287.10092	0.2
288.07831	0.9
289.08548	1.3
290.05933	0.2
290.09332	0.4
291.06540	0.6
291.10172	1.8
292.07428	0.2
292.10849	0.4
293.04617	0.2
293.08112	0.6
293.11743	0.3
294.05557	0.1
294.08771	0.2
294.12286	0.1
295.06082	4.3
295.09570	0.7
296.06799	1.5
296.10065	0.2
297.07581	3.3
297.14819	0.4
298.08362	2.1
299.09293	0.9
301.08618	1.0
302.09229	0.3
303.06778	0.2
303.10132	1.0
304.07220	0.4
304.10925	0.9
305.08124	1.7
306.08813	0.4
307.05988	0.8
307.09592	1.0
307.13290	1.2
308.06711	0.4
308.10245	0.3
309.07541	1.1
309.11221	1.5
310.11658	0.2
311.09137	14.6
312.09778	0.5
314.09274	0.1
315.06555	0.2
315.10007	0.2
316.07291	0.4
317.08090	0.9
317.11740	0.3
318.08911	0.2
319.06393	0.2
319.09628	3.9
320.10391	1.2
321.07642	0.2
321.11145	1.5
322.11789	0.2
323.09131	5.9
324.09769	0.5
325.10648	0.3
325.14316	0.5
329.08057	0.4
330.08813	0.3
331.09613	1.4
332.06943	0.1
332.10297	0.7
333.07474	1.0
333.11078	0.2
334.08392	0.3
335.09082	2.0
335.12799	3.0
336.13370	0.2
337.10706	3.7
337.14661	0.2
338.11234	0.9
339.12189	0.2
345.11270	0.5
347.09149	3.6
348.09869	1.1
349.10550	0.4
350.11505	0.3
351.08444	0.2
351.12286	0.3
353.13824	9.1
354.14230	0.2
363.12265	5.4
364.12387	0.1
365.10059	0.6
366.10953	0.2
381.13324	100.0
382.13678	3.7
397.66489	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	381.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
58.46952	1.1
62.00641	1.3
69.03443	2.1
70.46844	1.4
70.47170	3.5
71.04996	1.5
72.08149	1.5
79.05480	2.3
81.07049	1.3
84.08129	5.1
85.02918	2.8
86.09715	1.6
89.03927	1.9
91.05466	2.4
95.04978	2.0
102.05560	1.5
105.07030	1.7
107.08610	1.6
107.37941	1.2
109.10172	1.7
117.03365	3.4
119.08605	2.0
121.10096	1.6
127.03905	1.6
131.08536	1.6
134.06007	2.1
145.02858	9.8
145.10132	2.3
149.06024	1.9
159.09265	1.9
160.07590	1.4
168.08138	1.4
170.06070	1.3
172.07613	2.3
173.07101	5.0
174.05545	2.8
174.11188	1.7
176.07130	1.4
177.05472	15.1
183.09161	1.7
184.07585	3.1
187.08707	5.5
188.06976	2.0
193.07542	2.0
194.29179	1.4
197.07101	2.0
199.08745	2.0
201.06581	2.6
206.13904	6.4
211.08705	8.9
213.06578	2.7
213.10291	1.7
214.08678	1.4
215.08180	20.2
216.06580	1.7
217.09814	2.0
219.07872	1.5
221.07153	2.5
224.05739	3.5
225.06413	2.9
227.04639	2.4
227.08141	5.5
229.06104	3.1
229.09779	5.4
233.09187	3.5
238.07285	1.9
239.08165	33.7
241.09647	2.8
242.10544	4.3
243.07658	27.3
244.06114	2.1
244.08261	2.1
244.35956	1.3
245.09225	5.7
253.06133	3.4
256.08386	1.6
257.09213	13.8
258.07413	1.5
258.09958	2.3
259.10721	2.2
260.09155	1.4
261.08728	10.0
267.07657	100.0
268.08084	2.3
269.04416	1.6
269.09250	4.9
270.10147	2.9
271.07193	5.7
271.10184	1.3
272.08191	1.7
273.08688	3.4
275.10248	3.0
285.08719	68.6
286.09290	1.7
287.10226	5.7
288.10980	2.0
289.08258	15.8
289.11545	2.6
291.13458	2.3
295.07120	11.3
303.09735	12.8
303.13382	21.3
307.09161	2.2
313.08194	67.9
314.08633	1.9
319.12921	9.6
321.10825	10.8
321.14185	2.8
331.09283	97.6
331.12906	10.4
332.09726	2.1
339.11896	14.8
342.60187	1.4
349.10175	3.5
349.13931	9.9
363.11697	11.4
381.12527	18.2
381.16241	3.9
381.23792	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	381.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37547	1.2
56.33982	1.3
56.96569	72.7
57.03432	2.1
69.03421	3.0
70.06580	4.1
71.57727	1.9
73.02930	2.4
81.03402	1.6
84.96027	5.8
85.02907	5.3
92.49923	1.4
97.02872	2.7
98.97589	83.0
99.04411	1.5
100.99168	6.4
110.97576	38.8
112.99138	8.1
115.00710	35.8
116.10716	2.0
116.98621	18.0
122.09096	1.2
124.99099	2.8
126.97041	2.6
127.00723	1.5
128.98618	20.7
129.02231	1.4
131.00168	4.9
133.01732	18.2
134.99670	1.9
137.05893	1.5
140.98610	2.8
141.02312	2.3
143.00151	6.1
144.98080	1.2
146.99678	5.2
149.01317	1.4
150.70198	1.5
151.02843	1.3
152.98613	5.2
154.93541	1.5
157.01840	1.4
158.99687	18.4
159.03308	25.0
161.01234	3.2
167.33846	1.3
168.23935	1.3
170.99646	9.5
172.94427	1.5
173.01300	1.9
175.02863	1.5
177.00714	6.9
177.04349	63.8
182.99745	1.6
189.00697	6.9
195.05415	22.9
201.00737	13.4
201.04378	3.5
213.12393	1.6
219.01781	83.4
219.05389	7.2
231.05437	5.4
233.06996	2.4
237.02831	76.8
240.05801	2.9
251.04309	2.7
255.06110	2.3
259.04840	2.7
261.06583	3.6
263.04312	2.7
263.08200	2.4
277.05920	4.2
303.07632	1.8
321.08533	100.0
339.09686	86.5
339.13882	2.6
362.11295	1.9
381.10721	47.0
381.19366	3.9
382.20749	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	381.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19569	0.8
56.77097	0.9
56.96569	28.1
67.65657	0.9
70.15673	1.6
70.16064	1.9
72.08161	1.7
84.96059	5.2
85.02907	1.4
96.08133	1.6
98.20766	0.9
98.97592	76.8
100.99145	1.6
101.00880	2.0
102.09167	1.3
110.60154	1.0
110.97579	17.5
112.99143	20.7
115.00697	7.6
115.02443	2.5
116.98623	17.1
117.38067	0.9
119.01905	1.1
126.97049	1.2
127.00682	1.2
128.10739	1.4
128.98622	10.8
129.02257	22.3
130.93303	1.0
131.00179	14.5
131.36136	0.9
133.01741	5.5
133.03461	3.5
134.99677	1.3
140.98616	2.1
141.02245	7.7
143.00163	4.3
145.01747	1.3
146.99669	3.0
147.03293	15.6
149.01260	3.5
151.02838	1.2
152.98593	1.4
155.01900	1.8
157.01685	1.4
157.03531	1.3
158.11952	1.1
158.99677	19.8
159.03311	28.9
159.04773	1.0
161.01219	2.6
170.99677	4.7
171.03293	2.9
171.04977	2.0
173.01219	4.7
173.02777	1.6
174.11275	2.3
175.02850	1.8
177.00745	7.1
177.04366	45.6
177.05925	2.9
183.03343	5.3
183.04840	1.2
187.02803	1.7
188.12906	1.8
189.00749	2.1
189.04384	3.0
191.02284	2.3
195.05441	12.0
201.00647	5.8
201.04344	20.2
203.04057	1.2
205.03859	1.5
219.01784	33.2
219.05385	11.9
219.07220	5.2
221.05110	2.7
231.05322	2.9
231.07286	5.9
233.03375	1.0
233.06891	1.6
237.02837	29.6
237.05116	1.8
243.05496	1.4
245.05060	4.1
255.07291	2.0
261.06393	2.7
273.08301	1.1
277.06073	1.7
295.07001	4.2
321.08353	100.0
322.09103	2.7
339.09631	70.3
340.09811	1.2
381.10733	20.8
381.19388	2.3
382.20563	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96584	4.7
64.50645	2.9
68.28673	2.8
69.97160	6.5
85.02943	3.0
98.97570	7.3
128.98566	3.8
201.01604	5.2
213.77519	3.3
219.02509	3.1
303.09564	3.5
321.10382	5.9
381.07916	100.0
381.19415	12.5
382.08444	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	381.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.9
67.69209	2.3
70.82008	6.2
79.05477	3.1
91.05500	4.2
93.03377	2.4
117.36616	2.5
119.04944	3.0
121.06503	2.6
124.59333	2.3
129.06995	2.1
133.02863	12.7
137.06007	4.2
147.04402	5.1
147.08096	2.3
149.63062	2.2
151.05098	2.5
153.05472	9.4
163.03961	5.4
165.05475	7.6
177.05478	14.3
178.06238	13.1
189.09018	6.0
195.08069	10.0
198.06712	4.5
203.07034	19.7
207.06665	2.5
213.09113	27.4
240.26086	2.3
241.08681	6.4
255.06544	9.5
281.08047	3.5
285.07639	10.1
321.11243	2.9
323.16144	3.6
327.16055	2.4
349.10632	4.1
353.13773	3.5
381.09360	100.0
381.13416	72.1
381.20389	4.7
381.26215	4.2
382.13763	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	381.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18021	3.5
69.91691	15.9
71.25655	4.0
77.07867	3.5
98.69415	3.4
124.15981	3.0
133.57858	3.2
159.12013	5.0
189.52214	3.6
201.01669	4.6
218.13875	3.5
219.02713	3.7
219.14238	3.9
268.20630	3.8
332.98987	3.6
357.71527	3.6
381.08008	100.0
381.12808	8.5
381.19397	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08241	4.5
53.32529	3.3
56.96564	11.7
65.13257	4.0
69.90450	19.4
85.02898	4.4
98.97596	21.3
103.26143	3.4
110.97552	6.3
113.09444	4.0
143.00153	4.4
171.69397	4.9
192.30370	4.2
234.79543	4.9
261.02731	5.5
321.10315	8.5
381.07999	100.0
381.19376	13.2
387.00919	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	381.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96287	0.9
56.96569	19.2
67.05507	0.6
69.29468	2.3
69.29906	2.4
71.95271	5.2
72.19772	0.5
79.05468	0.5
81.07029	0.8
86.09682	0.5
91.05475	0.6
95.08639	0.5
98.97590	98.2
105.07021	1.0
109.06483	0.7
116.98630	53.8
121.06490	0.5
134.99673	16.2
140.00200	4.6
147.04533	0.5
153.00757	1.1
158.01259	1.9
177.05508	0.8
203.07062	1.0
205.01636	1.2
205.04912	0.7
223.02881	1.4
227.03133	0.7
228.03485	1.1
229.03679	1.3
241.03767	3.0
270.29901	0.4
283.09750	0.8
289.21793	0.5
307.02734	1.7
309.04327	1.4
325.03906	1.4
327.05383	1.6
337.03659	0.5
339.05417	10.1
339.09250	0.8
341.03406	0.9
342.04028	1.2
347.19455	0.5
349.10745	1.0
357.06485	8.9
358.07019	0.8
359.04385	1.2
380.07782	0.7
381.06470	100.0
381.14160	2.7
381.16153	2.7
382.06705	2.8
399.07535	19.3
399.12863	1.0
400.07632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75341	0.3
53.03958	0.4
55.01858	3.4
55.05520	0.5
56.05053	0.3
56.96567	0.8
56.99131	0.3
57.03441	0.4
60.79330	0.3
61.02913	0.4
67.05507	0.6
69.03436	1.9
69.07099	0.5
69.81434	1.2
69.81843	0.5
70.06593	0.8
71.04994	0.5
71.95210	0.3
72.08175	0.5
73.02920	0.6
79.05487	1.6
79.94364	0.3
81.03407	0.8
81.07066	9.8
83.05016	0.5
84.04506	0.5
85.02916	4.3
85.03379	0.5
86.09721	0.7
91.05461	0.5
95.04948	0.4
97.02910	1.8
98.97591	1.8
102.09219	0.4
105.07045	0.9
109.02877	0.6
109.06526	5.4
116.98610	0.5
119.04947	0.6
119.08634	0.4
120.08079	0.3
121.10155	1.8
127.03971	0.5
127.07571	0.7
130.08603	0.3
137.05988	100.0
138.06310	1.4
140.07126	0.3
145.04950	0.9
147.04401	1.5
147.11720	0.8
165.05482	2.2
165.12746	0.6
177.00751	0.5
183.06546	48.0
183.13832	1.3
218.06172	0.9
219.01810	0.6
234.99028	0.4
237.02879	0.7
238.44965	0.3
249.08986	0.3
290.04102	0.3
320.11075	0.8
380.15137	0.9
380.19327	0.4
381.11627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01867	1.1
55.05499	0.6
56.05038	1.4
56.96288	0.3
56.96566	6.3
57.03431	2.0
58.06599	2.2
58.65088	0.2
59.05007	0.3
61.02927	1.3
67.05502	1.0
69.03439	4.4
69.07074	0.6
70.06589	1.2
70.98119	0.5
71.04986	1.0
71.07372	0.3
71.57669	0.4
71.95280	0.4
72.04533	0.3
72.07787	0.4
72.08157	4.7
73.02923	1.6
74.97625	0.3
76.71488	0.2
81.03423	1.9
81.07036	1.1
81.71945	0.2
83.04986	0.5
84.04483	0.3
84.08150	1.9
84.96019	0.9
85.02910	6.4
85.06560	1.2
85.08858	0.3
86.06085	1.5
86.09711	1.0
87.04459	1.2
91.03948	0.4
91.05494	0.6
93.07047	0.7
94.06573	0.4
95.08614	0.4
96.08137	0.6
97.02892	4.0
97.06536	0.5
98.09697	11.0
98.97590	11.1
99.04472	1.2
99.10480	0.6
99.97945	0.5
100.07641	0.5
100.11285	0.3
100.99155	0.7
101.00885	0.5
101.02371	0.4
102.05546	0.4
102.08541	0.5
102.09190	7.1
105.07052	0.3
105.12968	0.3
109.02886	1.1
109.06532	1.2
110.09696	0.7
110.97574	1.6
111.08099	0.6
112.07604	0.3
112.11221	0.6
112.99140	3.1
113.06007	2.4
115.00683	0.4
115.02384	0.4
115.03934	0.7
116.07093	0.3
116.98622	3.6
119.01931	0.8
119.04928	0.3
121.06517	0.5
122.09666	0.3
123.04472	0.4
124.07561	0.3
124.99115	0.5
125.06029	0.3
126.09147	0.3
127.00708	0.5
127.03937	1.8
128.07085	1.2
128.10703	0.4
128.98616	1.4
129.02290	0.3
131.00192	3.3
131.01866	0.4
133.01750	0.2
133.03514	0.9
133.06499	0.3
134.99663	1.0
137.05986	1.9
138.05476	0.4
138.12755	0.3
140.10690	2.0
140.98618	0.4
141.05452	0.4
143.00163	1.4
143.01883	0.3
143.43333	0.3
144.98071	0.6
145.01683	0.5
145.04980	0.8
146.01181	0.3
146.08147	1.5
146.99658	1.1
149.01225	1.4
149.05946	0.3
152.98595	0.3
155.01924	0.6
155.07059	0.6
156.13831	1.3
156.98059	0.4
157.01707	0.5
157.03445	0.7
158.11774	10.0
158.99693	1.7
159.03297	0.4
159.05098	0.6
161.01210	1.3
161.03038	0.4
163.02791	0.7
163.03986	0.3
165.05441	0.4
168.02034	0.2
168.03499	0.3
170.99750	0.4
171.04994	0.5
172.09663	0.5
173.01277	0.5
173.03014	0.7
174.11217	1.3
174.14932	0.5
174.99223	0.3
175.02829	0.6
175.04472	0.5
177.00688	1.3
177.04340	0.7
177.05833	0.3
179.02289	0.4
181.03857	0.3
182.11768	2.3
183.05060	0.3
184.02907	0.3
184.04839	0.3
184.06386	0.4
185.03036	0.3
187.02711	0.3
187.04356	0.3
188.12793	0.3
189.00731	0.6
190.00803	0.3
191.02255	0.5
193.00165	0.4
193.03792	1.2
200.12831	6.1
201.00671	0.6
201.04276	0.3
203.03944	0.4
205.03810	0.5
207.01935	0.4
211.04929	0.3
217.03746	0.4
218.13882	24.5
219.01765	2.7
219.07143	1.4
221.03276	0.3
221.05156	0.5
222.05447	0.3
223.01248	0.3
223.04848	0.3
231.01814	0.4
231.05283	0.3
231.07181	1.3
233.03447	0.5
235.04932	0.7
237.02750	2.5
238.03473	0.4
239.04451	0.3
239.97874	0.3
241.07242	0.3
245.05042	0.8
246.06483	0.3
247.04987	0.3
248.08086	0.7
250.07156	0.4
251.04422	1.4
260.14960	0.4
261.02866	0.4
262.05869	0.3
262.09686	0.3
263.04462	0.4
269.05450	1.6
270.05859	0.7
272.08176	0.3
273.08377	0.3
274.08981	0.3
276.07455	0.4
277.06039	0.5
280.09912	0.5
281.05511	0.6
287.06546	0.3
290.15970	0.4
292.14029	0.3
295.07010	0.6
302.12573	0.3
307.07059	0.3
311.06558	0.6
320.10165	0.5
320.17068	7.0
321.10574	4.9
330.12021	0.3
334.14865	0.3
337.08035	0.6
338.11441	0.4
339.07404	0.7
344.17184	0.3
348.13187	1.5
355.09097	0.4
362.14505	1.0
362.18436	0.5
366.04120	0.4
380.19189	100.0
381.06848	0.4
381.11282	0.9
381.19519	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93938	10.2
57.39307	11.7
59.05005	18.4
69.29675	61.9
69.30099	44.7
73.02940	13.8
75.95212	9.6
76.92857	11.7
79.66055	11.4
80.47871	11.7
93.07014	12.2
104.90973	12.4
107.04985	13.0
121.06451	15.5
121.99131	10.6
122.06842	14.5
137.70743	10.4
155.03329	11.4
155.13448	11.4
163.03905	32.6
177.05489	67.0
178.06239	80.5
182.90251	11.5
187.03955	18.7
190.74504	11.6
203.07034	25.1
240.14204	12.3
276.56235	11.2
315.72708	15.4
325.35065	11.7
343.71179	10.6
350.54022	11.5
370.53494	12.1
380.12158	100.0
381.13391	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71260	4.5
55.01858	7.0
55.05508	19.9
57.07087	10.9
63.58058	5.2
67.05508	38.7
69.03425	12.7
69.07066	30.8
71.04993	6.1
71.11987	9.0
71.12312	7.0
79.05103	4.7
79.05498	30.9
81.03413	6.9
81.06638	8.9
81.07063	100.0
82.15903	4.5
83.04980	5.0
83.08605	9.3
85.06070	7.8
85.06543	87.6
86.09689	8.4
88.24647	4.6
91.05464	17.2
93.07055	60.5
95.04964	5.0
95.08614	60.4
97.06551	13.2
97.10186	6.1
99.08085	12.4
105.07034	23.0
107.08609	51.1
109.10165	44.9
111.04445	4.8
111.08079	17.2
115.07535	5.6
119.08592	27.8
119.09386	4.7
120.08052	5.8
121.10126	40.6
123.11711	26.6
127.11215	6.2
131.08549	9.9
133.10164	14.9
135.11687	30.7
137.09680	4.8
137.13234	12.9
139.11147	9.7
143.08617	5.5
145.10081	7.5
147.11699	11.7
149.13269	22.4
151.11095	8.5
157.12233	10.9
159.11758	8.1
161.13301	13.1
162.04007	7.2
163.14801	14.2
175.14877	16.1
177.16371	8.4
189.16353	6.2
193.15910	11.2
207.17473	6.1
211.16969	18.7
215.17972	6.1
229.18053	10.2
248.65341	5.1
260.11447	7.3
270.10181	5.9
271.06027	5.9
277.25266	6.6
283.06085	24.8
289.25241	13.0
295.26263	16.2
307.26294	19.7
313.27426	15.8
323.08960	12.9
325.27185	10.1
333.07486	5.9
343.28348	12.2
349.76019	5.1
361.07019	16.6
361.13666	6.7
379.08115	49.2
379.21332	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	379.1579
Annotation	Abafungin
Peak:m/z	Relative Intensity
55.01865	0.6
55.05487	0.5
56.05026	0.4
56.96563	1.7
57.03426	0.5
61.02935	0.4
65.89848	0.3
69.03432	2.5
69.82067	2.5
70.06596	0.7
71.04992	0.9
72.08153	1.2
73.02911	0.6
74.06078	1.4
81.03397	1.6
82.06526	0.5
83.04978	0.7
85.02911	4.7
86.03217	0.5
86.09704	1.3
87.04456	0.5
88.38739	0.4
91.05459	0.4
95.04984	0.6
95.08588	0.5
95.51523	0.4
97.02879	2.5
98.09721	0.5
98.97594	3.0
99.04450	1.9
99.10027	0.5
107.14878	0.4
109.02862	0.9
109.06551	0.5
110.97585	0.6
116.07111	0.4
116.98602	1.0
119.05015	0.5
122.02767	0.6
126.04371	0.4
126.09177	2.5
127.00747	0.4
127.03912	1.4
127.09528	2.0
128.98643	0.4
130.06580	0.8
131.00131	0.6
133.48175	0.4
137.05989	3.2
138.06317	1.3
140.07170	0.5
144.10216	1.2
145.04971	0.5
145.10501	0.7
158.97470	0.5
158.99666	0.8
163.03891	1.0
170.99670	0.5
177.00735	0.8
183.06413	0.5
187.14470	0.5
201.00713	0.6
217.10501	9.3
217.15366	0.5
219.01747	1.1
224.06161	0.4
233.14949	1.2
234.98949	2.5
237.02861	1.4
288.14459	0.7
289.03754	0.4
289.14825	2.0
317.06528	0.5
379.15775	100.0
380.11819	0.5
380.15799	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	379.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
54.62437	1.7
55.01867	3.4
55.05516	9.7
56.05023	3.3
56.96568	39.2
57.03444	9.6
57.07088	2.3
58.06603	3.0
59.04991	2.3
61.02918	6.4
67.05496	2.2
69.03437	31.7
69.07050	7.0
70.06606	8.4
70.18041	4.1
71.01357	2.3
71.04979	6.8
71.95253	1.7
72.04515	2.0
72.08160	56.4
73.02926	9.0
74.06079	8.8
75.04498	1.6
79.05499	3.0
81.03424	12.1
81.07050	4.1
82.06580	4.4
83.01335	2.4
83.04976	5.9
84.04486	2.0
84.08144	14.4
84.96030	8.2
85.02419	3.1
85.02911	46.5
85.06532	3.4
86.09714	13.6
87.03217	4.2
87.04475	8.0
91.03922	2.4
91.05496	5.2
93.07057	3.6
94.06592	3.2
95.04969	4.0
96.04488	5.8
96.08131	3.9
97.02906	29.7
97.06554	3.2
98.03253	1.8
98.06051	4.1
98.09705	2.3
98.20792	1.7
98.97590	100.0
99.04461	6.8
100.07590	2.4
100.99128	4.1
101.06055	2.3
102.09170	2.6
102.96989	2.0
105.07023	3.7
107.04935	4.6
108.04503	2.0
108.08119	3.7
109.02863	5.8
109.06486	2.9
109.10108	1.7
110.06032	4.0
110.97577	15.1
111.04462	3.8
112.03970	6.6
112.07593	6.2
112.99142	5.7
114.09180	6.6
115.03967	4.2
115.08694	3.0
116.07091	4.1
116.98640	40.8
117.05635	2.4
118.08680	3.0
118.39877	1.6
119.01867	1.5
119.04958	3.3
119.08577	1.8
120.08099	2.6
121.06533	3.6
122.06098	1.9
123.04388	2.1
123.08075	2.3
124.07621	4.6
124.99149	2.5
125.05984	2.2
125.41117	1.9
126.09152	5.1
127.00727	1.7
127.03938	13.4
128.07080	2.6
128.10701	1.7
128.98631	16.9
130.06540	13.9
131.00183	10.7
131.07036	2.3
132.04411	1.9
132.08046	1.8
132.10204	2.6
133.01657	2.3
133.04970	1.7
133.06512	2.4
134.99654	9.8
136.07582	5.0
137.05951	5.5
138.05496	3.3
138.09090	2.1
139.00589	2.0
140.07083	2.9
140.98596	3.7
143.00148	8.0
144.10213	3.0
144.98097	2.9
145.01714	3.3
145.02812	2.3
145.04967	4.9
146.99652	9.4
149.01208	6.1
149.06020	2.4
150.07954	2.8
150.09161	53.3
152.10657	2.0
152.98570	2.2
154.08643	9.8
155.04646	3.7
156.10170	3.7
157.01704	3.1
157.07648	20.3
158.06052	2.1
158.97556	2.0
158.99670	27.7
161.01210	7.0
163.02763	5.2
163.04019	5.0
164.05222	1.7
164.10655	2.5
167.07097	3.6
170.99690	7.2
172.09735	6.5
173.01210	5.6
175.02762	9.4
175.08644	3.1
177.00714	26.8
177.04221	3.3
178.04886	2.2
179.02211	1.8
180.10269	12.3
182.09033	2.6
182.11772	8.8
183.06444	2.0
185.01242	3.0
185.07111	4.6
186.97113	1.7
187.02725	6.4
187.04358	2.6
189.00723	5.1
189.06599	7.4
191.02180	3.6
193.03812	2.7
196.09735	13.0
198.11250	19.4
199.02737	3.5
199.14417	2.0
201.00786	3.4
212.06253	12.2
213.00768	2.1
213.05476	2.5
214.09752	2.9
216.12337	21.9
217.03786	14.1
217.05492	1.8
217.15469	13.7
218.13927	2.7
218.99736	3.4
219.01755	27.0
223.05219	2.8
226.10957	2.0
227.06781	3.8
231.01703	3.1
233.06827	3.9
233.14973	6.1
234.99025	5.2
235.04898	4.4
237.02806	30.3
237.06729	2.0
240.05676	1.8
241.03896	2.3
242.09227	3.6
244.11879	2.3
246.05760	1.9
246.57393	2.7
247.06700	10.6
249.02968	3.1
249.16051	8.3
257.15030	2.0
259.04926	6.5
260.04465	2.3
260.10513	2.1
261.06564	2.3
276.07773	2.2
279.04431	3.4
279.07520	26.0
291.03970	2.3
291.07413	2.0
295.16537	92.5
296.16959	2.1
297.08588	2.9
302.10547	2.2
302.16223	1.9
305.05490	2.0
307.16245	2.0
309.08548	4.2
319.07111	10.7
319.12585	2.3
325.17526	15.7
336.16135	1.9
337.07889	10.6
343.18677	34.1
355.08994	3.5
361.11124	2.2
361.15100	6.0
361.19678	15.1
379.12399	8.3
379.15955	5.3
379.20917	5.3
380.15335	4.8
380.19562	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	379.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17668	0.4
50.33609	0.4
62.13247	0.4
67.33299	0.4
67.35830	0.4
71.57782	0.5
91.05503	1.5
93.07057	0.6
95.08611	0.6
98.97587	0.8
105.07027	0.7
107.08615	0.6
119.08548	0.6
123.98929	0.5
145.10117	0.6
147.08090	0.5
149.05992	1.3
152.64111	0.4
177.05525	2.5
187.03885	0.5
203.07059	1.1
227.03152	45.1
228.03607	0.8
268.05713	0.6
269.08182	0.5
281.07965	2.6
293.08002	0.7
319.09708	1.2
321.07559	0.6
333.07501	0.7
333.11249	0.7
336.10025	0.7
347.09207	0.9
349.07031	0.5
351.12286	6.0
359.08206	1.3
364.09225	0.7
365.13968	0.7
379.15259	100.0
380.15479	4.1
393.13406	1.1
394.13449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13091	2.0
50.46539	1.9
55.05507	3.1
56.96577	8.7
65.03947	3.3
67.05500	2.9
69.07056	2.5
69.43623	11.2
69.44032	3.5
73.42286	1.7
79.05482	6.8
81.03430	11.4
81.07076	9.9
91.05485	26.3
92.05811	2.8
93.03409	3.5
93.07018	4.9
95.01343	5.3
95.04956	4.4
95.08611	5.4
103.05450	1.9
105.07019	8.0
106.04204	13.4
107.08589	5.3
109.06506	3.6
109.10150	2.7
117.03348	2.0
117.06995	3.2
119.04977	9.7
119.08575	6.7
121.02899	4.7
121.06512	36.9
121.10146	3.7
122.71899	1.8
123.08039	2.2
131.08559	2.7
134.03622	4.8
135.04362	4.6
137.06021	1.8
143.08521	3.3
145.02806	2.4
147.04384	5.7
147.08023	3.9
148.05159	2.5
149.02306	2.4
149.05989	82.3
151.03912	3.7
157.10095	2.1
159.11659	2.4
160.01558	2.9
161.02307	6.1
161.05936	2.5
162.03081	2.0
163.03879	3.0
165.03694	1.7
167.08527	2.5
173.13290	3.0
175.03946	5.4
175.07504	3.4
177.05481	72.2
178.05757	2.1
180.04187	3.5
185.05980	3.9
185.13333	2.5
187.03952	5.6
195.06439	2.3
195.07993	1.9
199.07616	2.1
201.05428	2.2
203.03413	23.8
203.07039	67.9
211.07562	3.8
213.09276	1.7
215.03438	2.9
229.08572	4.1
233.04404	6.0
237.12743	1.7
239.10596	3.2
248.08119	2.2
251.07005	1.9
255.09938	5.1
257.08069	8.2
267.10165	3.5
276.07794	2.4
277.08582	2.7
283.06046	3.9
291.10242	4.3
293.08014	4.3
303.06577	2.0
305.07932	4.5
307.09418	14.5
319.09622	11.9
321.07877	3.9
323.12796	2.6
332.06570	2.5
333.07608	2.3
333.11179	3.1
335.12927	3.7
336.10001	2.2
347.09198	13.5
348.10083	4.0
350.34940	1.9
351.12299	25.3
353.14160	9.7
361.10318	2.9
361.14178	30.3
361.27640	2.1
371.15244	3.1
379.11563	81.2
379.15228	100.0
379.22681	5.0
379.29916	2.1
380.11725	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	379.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	0.6
69.78674	0.5
71.58727	0.8
81.07050	0.6
93.07013	0.6
95.08668	0.6
105.07021	0.8
119.08562	0.8
121.06469	0.5
133.10092	0.5
185.04176	3.9
201.05222	1.3
210.36514	0.6
216.07588	8.1
217.08376	11.2
273.21661	0.5
291.05942	0.5
308.08719	0.7
348.11783	0.8
361.14053	0.8
379.13644	100.0
380.14029	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18236	0.7
67.05521	1.2
71.57854	0.7
71.58202	0.7
73.93113	0.9
91.05478	2.9
93.07039	1.1
95.04976	1.5
95.08632	0.8
98.97577	1.2
105.07003	0.9
110.06296	0.8
119.04998	1.3
121.06542	1.7
122.88955	0.8
143.33922	0.8
149.05942	4.8
167.92281	0.7
177.05478	4.9
187.03935	1.0
196.05223	1.1
203.07051	8.7
208.05202	2.0
212.42259	0.9
224.04593	1.9
239.06975	2.2
251.07051	1.9
280.03671	2.2
295.06030	46.2
296.06473	1.8
302.36050	0.8
304.91260	0.9
307.09497	5.5
309.11148	0.8
319.09869	1.2
323.12973	0.9
343.13004	7.5
347.08984	0.9
351.12213	2.5
361.14120	100.0
362.14511	3.5
379.11295	9.3
379.16147	5.2
379.19598	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1219
Annotation	Mefloquine
Peak:m/z	Relative Intensity
56.96568	0.5
62.34415	0.1
71.57434	0.1
73.99061	0.1
84.96021	0.1
85.02926	0.1
95.29600	0.1
97.02908	0.1
97.99143	0.1
98.97596	0.5
102.09200	0.1
110.97578	0.2
113.00906	0.1
115.11842	0.1
116.98649	0.1
124.00727	0.1
128.98631	0.1
142.01768	0.3
143.01936	0.1
146.99648	0.1
149.01112	0.1
154.93355	0.1
157.03578	0.1
160.02859	0.2
168.00136	0.1
168.97554	0.1
173.01315	0.1
185.04301	0.1
196.99786	0.1
198.98730	0.1
203.03468	0.3
204.98506	0.1
210.01247	0.1
210.98647	0.1
214.95328	0.1
216.98703	0.1
217.06943	0.4
218.00237	0.2
218.13927	0.1
221.04488	0.2
226.98056	0.1
227.00494	0.1
228.99187	0.1
229.06946	0.1
232.96410	0.1
234.99599	0.2
235.06781	0.1
237.02858	0.1
240.01639	0.1
258.97443	0.1
262.00772	0.1
269.05536	0.1
270.99893	0.1
289.07715	0.2
298.02179	0.2
307.08737	0.1
314.02658	0.2
318.99948	0.1
320.17120	0.1
379.12119	100.0
380.12552	1.6
380.19022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1179
Annotation	Robustone methyl ether
Peak:m/z	Relative Intensity
50.49020	0.5
53.90429	0.5
55.01851	0.7
55.81235	0.5
56.96573	0.7
58.03936	0.4
65.03931	1.5
67.05502	0.8
68.99799	1.1
69.03431	0.4
71.08211	0.7
79.05490	1.5
81.07054	2.0
85.02902	0.6
91.05492	2.3
93.03420	2.7
93.07035	1.8
95.04994	0.6
103.05457	1.8
105.07065	1.1
106.04212	3.1
107.04987	0.4
109.06521	0.5
115.05444	0.5
119.04924	0.9
121.06510	3.5
121.10045	0.4
124.21286	0.5
129.06960	0.7
131.04910	1.4
134.03632	1.2
135.04494	0.7
137.06035	0.7
138.79465	0.5
147.04407	0.5
149.06010	5.0
151.03900	1.0
155.08536	0.9
162.03175	1.8
165.06964	0.9
171.08047	0.7
177.05486	18.1
178.06105	0.5
178.07874	0.4
183.04478	0.8
185.06013	1.3
187.03941	3.7
187.07457	0.5
189.05493	1.1
197.06013	0.6
201.09096	1.8
203.07019	3.3
203.08553	0.5
205.05020	1.6
206.07359	0.5
207.08034	0.5
211.07597	0.8
215.06961	0.6
219.08229	1.1
220.08897	0.8
221.06064	0.6
221.09544	0.6
223.07573	0.6
233.09575	1.0
234.06665	1.5
235.07593	1.4
235.11174	0.9
237.05545	1.7
241.04965	1.5
243.06567	1.1
245.09642	0.7
247.07608	0.9
247.11375	0.5
248.08429	2.7
249.09148	1.9
250.06290	0.8
251.07098	1.1
252.07866	0.8
253.08693	0.9
258.06705	0.7
259.07565	0.5
260.08359	0.8
261.05600	1.3
261.09158	1.2
262.06274	1.8
262.10022	0.8
263.07156	1.1
263.10699	2.7
265.05026	1.9
265.08551	0.9
267.10199	0.5
273.09161	1.0
274.09784	0.6
275.07147	1.0
276.07751	3.5
277.05334	0.8
277.08618	13.9
278.05679	0.7
279.06592	1.4
280.07333	4.3
281.08041	0.8
286.06677	0.6
287.07147	0.8
289.05133	1.2
289.08569	1.1
290.05688	1.2
291.06931	0.8
291.10181	6.2
292.10901	2.1
293.05084	0.7
293.08002	3.7
295.09668	26.0
296.10211	0.8
301.08508	0.9
303.06589	1.0
303.09900	0.6
304.07349	2.9
305.04639	0.9
305.08112	9.0
306.08926	0.5
307.13348	1.0
308.10245	0.6
309.07681	0.6
315.06525	1.1
317.04602	1.1
318.05368	1.0
319.06223	0.7
319.09644	16.7
320.10306	2.4
321.07608	3.4
321.10980	0.7
332.06940	1.3
333.07632	7.2
333.11215	1.0
335.05573	0.5
335.12741	1.3
336.09995	1.9
347.09183	6.2
348.09903	1.2
349.07053	4.4
349.10867	0.6
351.12308	9.3
361.10583	2.2
364.09399	2.0
365.10458	0.6
379.11807	100.0
379.92670	0.6
380.12161	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	379.118
Annotation	Isojamaicin
Peak:m/z	Relative Intensity
67.05452	0.6
79.05425	0.9
81.06991	0.8
81.47424	0.4
91.00181	0.4
91.05402	1.3
93.06971	0.5
95.08545	0.4
98.20774	0.6
102.14446	0.4
105.06954	0.9
107.04910	0.6
115.05395	0.7
117.06939	0.8
119.08505	0.6
128.06163	0.8
129.06963	0.7
130.40102	0.4
131.04906	0.5
131.08463	1.4
133.02715	0.5
134.03577	1.4
135.04369	0.6
137.05984	0.5
141.06961	0.9
144.05617	0.6
145.06398	0.9
147.04385	0.4
149.02394	0.7
149.05969	0.5
153.05443	0.5
153.06865	0.4
158.03580	0.7
159.07985	1.4
160.05113	0.6
161.02321	0.7
161.05875	0.9
162.01961	0.4
162.03140	6.9
163.03841	0.6
164.04648	0.9
169.94633	0.4
171.07954	0.7
173.05887	1.5
177.05484	15.8
177.07034	0.9
178.06107	0.4
179.03310	1.6
183.04375	0.8
183.08023	0.6
185.05933	0.9
187.03909	1.9
187.07520	2.1
195.07994	0.8
197.05937	1.0
198.06715	0.4
200.04604	0.9
201.05368	0.9
202.07668	1.1
203.06966	0.6
205.04892	0.5
211.07687	0.4
213.08774	0.4
215.06947	1.5
219.08044	0.8
221.05899	0.6
223.07465	1.4
228.04135	0.9
233.09789	0.4
235.07582	0.7
237.05388	0.9
237.09071	1.1
238.10022	0.5
243.06487	1.8
245.09602	1.4
247.07510	1.3
248.08249	1.8
249.05479	0.7
249.09052	1.6
250.06104	0.7
251.07069	2.6
261.05487	0.5
262.06256	0.4
262.09735	0.5
263.10638	1.2
265.04965	1.6
265.08511	1.5
266.05768	0.4
266.09363	0.8
267.06567	0.4
267.10233	0.6
273.09232	2.0
275.07068	1.6
276.05093	0.6
276.07794	3.3
277.04977	0.7
277.08548	0.9
279.06570	0.7
279.09982	0.4
281.04807	0.5
283.05991	0.4
290.09427	0.8
291.06946	0.5
291.10141	3.7
293.04776	0.7
293.08057	9.2
294.05399	0.8
294.08734	0.8
295.06049	0.6
295.13290	0.9
301.08572	1.9
303.06528	2.3
304.07330	1.7
305.08148	2.5
307.06296	0.7
307.09702	0.7
308.06848	0.6
308.10126	0.7
309.07697	0.4
309.11337	1.3
317.07895	0.6
318.08795	2.2
319.09650	16.7
320.10007	0.5
321.03818	0.8
321.07593	16.1
322.07974	0.4
323.12778	1.1
331.05969	0.5
332.06793	1.0
333.07547	1.3
333.11218	3.6
335.09183	1.7
336.09894	8.1
337.10239	0.7
347.09174	5.4
348.10208	0.8
349.07129	1.0
349.10889	1.0
351.12299	100.0
352.12601	3.3
364.09473	1.5
379.11810	29.2
380.12250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1179
Annotation	5-Methoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
Peak:m/z	Relative Intensity
51.41446	0.5
52.03420	0.6
55.05517	0.7
56.96558	1.1
66.83032	0.6
67.05513	1.0
69.03417	0.7
69.07074	0.6
70.83753	1.8
76.67906	0.6
79.05491	1.2
81.03385	1.0
81.07066	1.8
82.87273	0.5
91.05499	1.9
93.07036	1.3
95.04964	1.1
95.08563	0.7
98.97567	0.9
101.04789	0.6
105.03366	1.2
105.07035	2.5
107.04956	1.9
107.08644	1.2
109.06536	0.8
109.10149	1.5
116.98718	0.6
117.06985	0.7
117.53568	0.7
119.08607	1.1
121.06535	1.2
123.08240	0.7
127.64887	0.6
129.06999	0.7
134.03638	0.8
135.08055	1.0
137.05977	0.7
143.08517	0.7
145.02892	0.6
145.10179	0.8
147.00856	0.7
147.04364	0.6
159.07938	0.6
159.11752	1.0
161.02438	0.7
161.06020	1.3
162.03128	1.6
163.03938	0.6
163.07588	0.8
165.01913	0.8
169.10269	0.7
177.05484	4.0
185.06001	1.5
185.07510	0.6
187.03947	3.4
187.07547	0.7
195.10159	2.1
201.05409	0.9
202.07701	1.1
203.07056	2.1
205.04973	0.9
205.06711	0.6
207.07901	0.7
217.10216	0.7
219.07924	0.9
220.08868	0.6
221.05994	0.7
231.08089	1.0
232.08791	0.8
233.09547	1.0
235.07417	0.6
237.05577	1.6
245.09616	3.4
247.07468	0.9
248.08388	2.4
249.05208	0.9
251.07080	2.9
261.05511	1.4
262.06256	1.0
263.10727	2.4
265.05066	1.3
266.06015	0.7
266.09192	0.6
273.09106	6.5
275.06961	4.9
276.07822	10.8
277.05084	3.0
277.08591	1.2
279.06326	0.8
279.10040	0.7
280.07156	0.7
283.06079	1.6
287.07013	1.4
291.10089	11.7
293.04816	0.9
293.08185	2.0
301.08615	6.3
303.06509	3.9
303.09961	1.2
304.07352	6.0
305.08133	6.8
305.11646	1.1
318.08939	0.8
319.09659	74.6
320.10101	2.2
321.07547	1.8
323.05264	0.7
332.06931	2.5
333.07556	6.4
336.09772	1.3
347.09183	21.9
348.09930	5.0
349.07114	2.4
351.12262	5.1
364.09366	3.4
379.11795	100.0
379.25018	1.7
380.12158	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	379.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97933	0.2
56.96666	0.3
62.16908	0.2
67.05610	0.3
69.06858	0.2
69.07198	0.3
70.11297	0.7
71.13164	0.2
79.05607	0.3
81.06785	0.2
81.07212	0.5
89.04089	0.2
91.05648	1.3
93.07172	0.3
95.05141	1.6
95.08749	0.4
98.01350	0.2
98.97744	0.6
105.07172	0.5
107.08732	0.3
109.10270	0.3
116.98760	0.4
119.05080	0.3
119.07994	0.2
119.08740	0.5
121.06648	0.4
131.08713	0.3
133.10271	0.3
137.05977	0.2
139.00702	0.2
143.08673	0.2
144.10388	0.2
145.10312	0.2
149.06172	0.7
151.04126	0.2
152.06393	0.6
154.08063	0.2
159.11859	0.3
167.70270	0.2
168.05913	0.7
169.10231	0.3
171.08244	0.2
176.12912	0.3
177.05508	1.1
180.05862	0.3
183.08246	0.5
187.03975	0.3
195.08220	0.5
196.05170	2.5
203.03467	0.2
203.07031	1.2
208.05202	4.6
211.07660	0.9
221.09836	0.2
223.04065	0.2
223.07475	0.2
224.04694	5.6
236.04694	1.7
237.05170	0.2
238.06287	0.5
239.07039	6.3
251.07080	4.1
252.04201	2.5
258.66412	0.2
266.05780	0.3
267.06613	1.4
267.10214	0.6
269.08044	0.2
270.05228	0.3
280.03677	5.2
280.06628	0.4
283.06082	0.2
291.10214	0.2
295.06024	100.0
296.06332	2.3
307.09366	1.6
319.09622	0.5
321.07172	0.3
333.07590	0.3
336.09946	0.2
338.17188	0.3
343.13013	0.6
351.12338	1.7
356.18018	0.4
358.60834	0.2
361.14148	9.9
362.14279	0.3
379.08255	0.5
379.11484	6.6
379.15338	1.4
379.19193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1179
Annotation	Isojamaicin
Peak:m/z	Relative Intensity
60.38812	0.4
67.05483	0.5
67.29270	0.4
67.88949	0.4
68.99800	0.5
69.03432	0.4
79.05495	0.8
81.07063	0.7
91.05489	1.2
93.07041	0.4
95.04996	0.5
98.20694	0.9
103.05501	0.5
105.07043	0.5
107.04962	0.9
109.06524	0.6
111.75943	0.4
115.05453	0.7
117.07033	0.6
118.88810	0.4
119.04955	0.6
119.06931	0.4
119.08559	0.5
128.06274	0.6
129.07031	1.0
131.08600	1.0
131.61678	0.4
133.02869	0.5
134.03659	1.0
135.04431	0.8
137.06033	0.4
141.06969	0.7
141.99538	0.4
144.05690	0.8
145.06537	1.2
147.11775	0.4
149.02388	1.3
151.03874	0.6
152.01208	0.4
152.36586	0.4
153.05460	0.8
155.08592	0.5
158.03723	0.6
159.04395	0.4
159.08101	1.5
161.02364	0.5
161.06006	1.3
162.03137	6.2
163.03908	1.1
164.04707	0.8
165.07043	0.4
171.08105	1.1
173.06004	1.2
174.06822	0.6
177.05479	15.8
178.06137	0.5
178.07715	0.4
179.03413	2.0
179.08563	0.6
182.07294	0.4
183.04469	0.7
183.08154	0.5
185.06012	1.1
187.03957	1.6
187.07558	2.4
195.08105	0.9
197.05984	0.9
200.04707	0.6
201.05531	0.8
202.07719	0.6
203.07001	0.6
209.06059	0.5
211.07605	1.1
213.09212	0.4
215.07040	1.4
217.10263	0.8
219.08131	1.0
220.08800	0.8
221.05957	0.7
223.07602	1.6
228.04068	0.5
231.08139	0.6
233.06029	0.5
235.07434	0.5
235.11275	0.5
237.05583	0.4
237.09160	0.9
243.06567	1.5
245.09679	1.4
247.07600	1.1
248.08369	1.8
249.05539	0.6
249.09149	1.9
251.07019	3.1
251.10884	0.6
261.05325	0.5
261.09073	0.6
262.06400	0.4
263.10754	0.9
265.05042	1.4
265.08664	2.4
267.07016	0.4
267.10239	1.1
272.08429	0.5
273.09219	2.4
275.07071	1.5
276.07846	3.1
277.05234	0.7
277.08633	1.0
277.12042	0.5
279.06677	0.6
279.10175	0.8
280.11017	0.9
283.06030	0.6
289.04904	0.5
290.09445	0.7
291.06943	0.5
291.10083	3.5
292.32147	0.4
293.04568	1.1
293.08063	8.2
294.05310	0.7
294.08542	0.6
295.13202	1.0
301.08658	2.4
303.06555	1.3
304.07275	2.2
305.08105	1.2
307.06137	0.7
307.09570	0.9
308.06876	0.9
308.10461	1.1
309.07593	0.9
309.11267	1.3
317.08163	0.4
318.08865	3.2
319.09695	16.3
320.10342	0.6
321.07605	17.0
322.08002	0.8
323.12808	1.0
331.06027	0.6
332.06808	0.5
333.07510	1.5
333.11255	4.7
335.09210	1.5
336.09949	9.2
347.09161	4.5
348.09918	1.4
349.06992	1.1
349.10785	0.5
351.12299	100.0
352.12671	2.1
364.09317	1.7
372.14853	0.4
379.11783	25.4
379.24625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1179
Annotation	Isomillettone
Peak:m/z	Relative Intensity
53.03942	2.5
55.01872	1.5
55.05524	0.7
56.96595	0.6
57.07072	1.3
57.19186	0.5
61.70332	0.6
65.03942	2.2
65.85368	0.6
67.05506	1.1
68.99821	0.7
69.07088	1.1
70.26264	2.1
77.03935	0.9
78.04710	1.8
79.05495	5.1
81.02979	0.9
81.03429	12.4
81.07046	2.9
83.01390	0.6
83.04942	0.5
83.08622	0.7
89.03922	2.0
91.05491	13.4
92.02633	0.6
93.03423	3.2
93.07037	2.0
95.01345	5.1
95.04980	2.2
95.08618	1.1
102.27691	0.6
103.05481	2.6
105.03407	1.2
105.07037	3.4
106.04182	14.4
107.04975	1.4
107.08578	1.9
109.06511	2.5
109.10148	1.6
111.04482	1.0
117.03395	1.3
118.04150	1.3
119.04978	3.7
119.05768	0.5
119.08590	1.9
121.02888	1.6
121.06521	33.8
121.10137	1.0
122.06808	0.8
128.06264	0.8
129.07007	1.4
131.08566	1.0
132.02084	0.6
133.02974	0.7
133.06514	1.4
134.03642	5.8
135.04430	2.5
135.08073	1.0
137.02357	1.0
143.08562	0.9
145.02859	1.7
145.10117	1.1
147.04424	2.2
147.08052	1.8
147.11668	0.6
149.05995	100.0
150.06306	1.3
151.03905	2.3
159.08081	1.4
159.11742	0.8
161.02379	4.8
161.06013	1.6
162.03145	2.1
163.03902	1.0
175.03909	6.8
175.07558	1.8
177.05492	44.2
178.05820	1.0
179.08556	0.8
180.04227	3.1
181.06599	0.7
185.06013	2.7
187.03938	3.6
188.01123	1.2
195.06558	4.0
195.08139	1.0
201.05418	1.0
202.07820	0.7
203.03429	20.1
203.07040	34.2
205.04996	0.7
206.01964	0.9
211.07578	1.4
219.08043	0.8
221.04401	1.2
221.08032	1.2
225.05475	0.9
227.06984	0.8
235.07602	1.3
237.05624	0.7
239.07225	0.6
239.10689	2.2
240.07858	1.1
243.06528	1.3
245.09651	0.7
247.07654	0.8
249.09018	0.7
251.07010	0.7
253.05103	1.1
253.08713	1.0
255.10136	3.0
259.09726	1.2
260.08301	0.7
261.09158	0.8
263.07166	1.3
263.10538	0.8
265.04993	1.0
265.08551	0.8
271.06079	0.9
273.09036	0.8
275.07065	2.0
275.10349	0.7
276.07938	1.4
277.05264	1.0
277.08630	3.2
279.06638	1.1
281.04529	1.2
281.08200	1.0
283.06085	2.1
283.09534	1.2
287.07074	0.8
289.08578	0.8
291.07004	0.7
291.09918	3.2
293.08096	1.6
295.09930	0.6
296.06644	0.9
297.07581	0.7
301.08588	1.6
301.25769	0.7
303.06567	3.1
303.09842	1.1
304.07294	1.2
305.08008	3.3
305.11566	0.7
307.09497	9.1
309.11334	0.7
311.09167	4.4
318.09061	0.7
319.09631	7.8
321.07590	3.3
323.12878	0.9
329.08121	1.2
331.05954	1.5
333.07626	3.0
333.11334	1.7
335.12918	1.4
336.10007	1.2
337.10550	1.0
346.08081	1.1
347.09143	10.8
347.32407	0.7
348.09915	4.0
349.07187	1.3
349.10797	1.0
351.12320	11.9
361.10687	2.0
361.14206	2.1
364.09274	0.7
379.11755	62.5
379.15427	11.8
379.30115	1.0
380.12204	2.2
397.12979	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	379.1178
Annotation	Robustone methyl ether
Peak:m/z	Relative Intensity
50.49258	0.7
57.83274	0.7
58.06575	1.4
67.05482	1.1
69.70250	4.1
72.08148	3.0
74.16583	0.7
79.05480	1.4
80.57266	0.9
87.04410	0.8
91.05464	1.2
98.20836	1.4
107.08636	1.0
111.66179	0.7
117.06927	0.9
129.06993	0.9
132.10223	6.5
134.03636	1.2
138.51588	0.8
145.06493	0.8
149.05978	1.3
153.05479	1.0
155.08534	1.0
157.06532	1.1
159.08026	1.7
161.06067	1.2
162.03134	7.8
164.04712	1.0
173.06044	1.5
177.05487	16.7
185.05916	1.3
187.03960	1.9
187.07578	2.4
195.08197	1.0
200.04654	1.0
201.82494	0.9
202.07779	1.6
203.07030	2.0
211.07553	1.0
215.06993	1.6
217.10095	1.1
219.08031	0.9
220.08777	1.1
221.06006	1.0
223.07545	2.1
227.02992	0.9
231.07996	1.2
234.06689	0.9
237.05518	1.2
237.08984	1.0
243.06566	1.8
245.09682	2.4
247.07582	2.2
248.08420	2.1
249.09172	1.1
251.06898	2.7
261.09225	1.2
262.06128	1.0
263.07080	1.2
263.10596	1.9
264.07819	0.9
265.05038	2.1
265.08603	1.8
267.06601	1.2
273.09183	2.7
275.06995	2.1
276.07794	5.0
277.05185	1.4
277.08630	6.8
279.06607	1.2
280.07309	3.0
280.10535	1.1
286.27371	4.4
287.07013	1.1
287.27658	2.9
291.06918	1.5
291.10196	5.4
293.04733	1.1
293.08072	9.3
294.08926	0.9
295.06311	1.2
295.09671	17.2
295.12912	1.2
301.08710	2.7
303.06549	2.1
304.07358	2.8
305.08203	4.1
305.11316	1.3
307.09579	1.8
309.07672	1.2
318.08841	2.5
319.09659	23.1
321.07593	17.4
323.12833	1.3
331.05945	1.1
332.06750	1.5
333.07547	5.9
333.11285	3.9
335.09003	2.3
336.09885	8.5
337.10657	1.7
347.09109	7.7
348.09875	1.8
349.06989	1.7
349.10938	1.1
351.12283	100.0
352.12643	2.1
361.10880	1.2
364.09360	2.9
378.32147	10.7
379.11768	78.6
379.32376	9.5
380.11981	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1176
Annotation	Jamaicin
Peak:m/z	Relative Intensity
54.09257	0.3
56.63157	0.3
63.10454	0.3
67.05461	0.5
68.69743	0.3
78.40588	0.3
79.05453	0.8
81.07018	0.5
81.74795	0.3
85.68064	0.3
89.12137	0.3
91.05419	1.2
95.08578	0.4
101.49110	0.3
103.05389	0.4
107.04912	0.4
109.06459	0.7
115.05405	0.5
117.06913	0.4
129.06956	0.5
131.08528	0.4
133.02820	0.4
134.03600	0.9
135.04333	1.1
137.90596	0.3
141.06989	0.7
143.08492	0.5
144.05643	0.5
145.06450	0.5
147.64511	0.3
149.02301	0.6
151.03833	0.6
153.04532	0.3
153.05496	2.6
153.06657	0.6
158.03677	0.3
159.08032	0.8
161.02296	0.3
161.05913	0.5
162.03143	6.2
163.03806	0.4
164.04689	0.5
165.06941	0.3
169.06459	0.3
171.08015	0.9
173.05952	0.6
174.06824	0.3
175.07532	0.3
176.04720	0.4
177.05472	16.4
178.05757	0.4
178.14783	0.3
179.03345	1.2
179.50925	0.3
181.06451	0.5
183.04384	0.5
183.08150	0.5
184.05139	0.7
185.05972	1.2
187.03893	2.9
187.07588	1.9
195.08046	0.5
197.05864	0.6
199.07515	2.5
200.04655	1.1
201.05403	1.1
202.07748	0.7
203.06966	0.7
205.04924	1.0
211.07486	0.9
213.08989	0.5
215.07013	1.8
217.10107	0.6
219.08041	0.4
220.80652	0.3
221.09554	0.4
223.07533	0.9
225.09044	0.4
227.07053	0.9
228.04190	1.6
234.06667	0.5
235.07684	0.6
235.10800	0.4
237.05476	0.5
237.08951	0.4
239.07074	0.9
241.08537	0.7
243.06578	2.6
245.09618	1.4
245.24638	0.4
247.07379	0.7
248.08337	1.2
249.05539	0.5
249.09033	1.4
251.07089	1.6
261.05560	0.4
261.09125	0.4
263.10632	0.8
265.05042	0.8
265.08557	1.3
266.05432	0.3
266.09567	0.5
267.10144	0.4
273.09109	1.8
275.07016	1.2
276.07870	2.3
277.05005	0.9
277.08383	0.5
279.10110	0.4
281.04239	0.4
286.06119	0.4
290.09360	1.0
291.10168	2.4
293.04456	1.1
293.08072	5.8
294.05310	0.5
294.08517	0.5
295.06076	0.6
295.13245	0.7
296.06848	0.4
301.08627	1.5
303.06470	1.2
304.07339	1.4
305.04663	0.5
305.08075	1.5
305.11618	0.5
307.06134	0.7
307.09641	0.8
308.06781	0.7
308.10300	0.8
309.07675	0.8
309.11255	1.0
317.07968	0.4
318.08875	2.3
319.09637	14.0
320.10019	0.3
321.03854	0.8
321.07578	12.3
322.08099	0.7
323.12881	0.9
329.08356	0.5
331.06036	0.6
332.06778	1.6
333.07520	1.7
333.11240	3.5
335.09241	1.1
336.05997	0.6
336.09897	6.9
337.10602	0.6
347.09164	4.1
348.09714	0.5
349.06921	1.2
349.10791	0.8
351.12286	100.0
352.12592	3.0
361.10883	0.4
364.09402	1.3
379.11792	36.2
380.12149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
70.22498	1.9
70.22879	2.0
79.05492	0.9
91.05512	1.1
116.04161	0.9
131.04971	1.1
134.03662	1.2
144.05701	1.1
149.02440	0.9
153.05467	2.0
161.06041	1.3
162.03177	4.8
173.05981	2.0
177.05475	17.7
183.04408	1.0
187.03909	2.0
187.07600	1.4
199.07585	2.0
203.07050	1.0
215.06895	1.4
223.07509	1.3
228.04250	1.4
235.32719	1.1
243.06499	3.5
245.09555	1.8
248.08308	1.8
249.05582	1.0
249.09102	1.5
251.06990	1.3
263.10428	1.5
265.08786	1.0
267.21518	0.9
269.07892	1.1
275.07092	2.4
276.07852	2.1
277.08276	1.0
289.08444	1.0
291.10114	3.9
293.04724	2.0
293.08127	6.1
295.13373	1.3
301.08517	1.9
303.06625	1.6
305.08023	1.0
307.06155	0.8
307.09442	23.3
308.10046	1.5
309.11087	1.3
318.08835	2.8
319.09647	13.6
321.07593	14.3
323.12830	1.0
332.06708	1.7
333.11142	3.7
336.09930	7.7
347.09131	7.5
349.06967	2.2
351.12292	100.0
352.12527	3.9
361.14188	4.4
364.09384	1.5
379.11560	24.2
379.15216	40.5
380.15723	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	379.1178
Annotation	Isomillettone
Peak:m/z	Relative Intensity
51.02370	0.6
52.39315	0.4
53.00315	0.6
53.03958	2.2
55.01865	0.9
55.05510	0.5
65.03936	1.7
66.04707	0.4
66.96149	0.3
67.05495	0.8
68.99782	1.3
69.07079	0.4
69.25326	3.2
77.03917	0.7
78.04706	2.2
78.85889	0.3
79.05492	4.7
79.81581	0.3
81.03421	12.2
81.07066	2.4
83.01337	0.6
83.08640	0.4
86.10087	0.3
89.03906	1.7
90.04683	0.3
91.05484	11.2
92.02617	0.6
93.03408	2.9
93.07043	1.5
95.01334	4.3
95.04977	1.9
95.08630	0.8
98.06026	0.3
98.20760	0.6
103.05464	2.2
105.03404	1.1
105.04514	0.7
105.07059	1.8
106.04179	16.2
107.04951	1.0
107.08599	0.9
109.06522	1.8
109.10168	0.5
111.04485	0.6
117.03383	1.2
118.04173	1.2
119.01295	0.5
119.04939	3.0
119.08577	1.2
121.02869	1.1
121.06512	31.3
122.06794	0.3
128.06233	0.4
129.06996	1.4
132.02039	0.5
133.02829	0.6
133.06509	1.2
134.03630	5.0
135.04433	3.2
135.08046	0.5
137.02361	0.7
144.05719	0.5
145.02873	2.1
145.06471	0.4
147.04422	1.2
147.08078	1.7
148.05205	0.7
149.05986	100.0
150.06226	0.7
151.03958	0.6
153.05469	0.9
153.06964	0.3
155.04903	0.4
157.06456	0.4
159.08061	0.5
160.01570	1.0
160.05147	0.5
161.02365	4.5
161.05980	2.0
162.03133	2.6
163.03906	1.2
167.03395	0.8
175.03920	6.6
175.07541	1.3
177.05478	43.6
178.07823	0.4
180.04158	3.3
185.05937	3.1
187.03873	2.9
187.07539	0.8
188.01060	0.7
188.04616	0.5
195.06551	3.5
195.08167	0.6
201.05600	0.4
203.01479	0.8
203.03410	21.6
203.07030	26.5
204.03801	0.5
204.07379	0.6
205.05003	0.4
206.02164	0.4
208.15730	0.4
211.07610	0.5
211.43851	0.3
213.05559	0.4
215.07024	0.8
217.50458	0.4
219.07977	0.6
221.04431	0.7
221.08008	0.8
223.07532	0.5
225.08943	0.3
235.07532	0.7
237.05547	0.7
239.10738	0.4
240.07832	0.8
241.08592	0.6
243.06566	0.6
245.09625	1.0
247.07632	0.5
248.08339	1.2
249.05511	0.7
249.09064	0.6
250.06232	0.5
251.07045	0.5
253.05000	0.8
253.08694	0.6
253.34370	0.4
255.10170	2.9
259.09659	1.3
261.05536	0.5
261.09039	0.6
263.07001	0.6
263.10693	0.6
265.04953	0.6
265.08621	0.5
271.06000	1.2
273.09082	1.2
275.07059	1.5
275.10040	0.3
276.07962	1.7
277.04956	1.0
277.08557	2.2
279.06674	1.6
279.09421	0.5
280.07181	0.4
281.04605	1.6
281.07959	0.8
283.06039	1.1
283.09415	0.7
289.04941	0.6
290.09314	0.7
291.07120	0.6
291.10187	2.3
292.10709	0.7
293.04605	0.6
293.08160	1.5
294.08847	0.4
301.08578	1.8
303.06528	2.0
303.09900	0.7
304.07376	1.0
305.08038	2.4
307.06085	0.9
307.09595	0.6
309.07767	0.4
309.11130	0.8
311.09268	3.6
318.08835	0.5
319.06158	0.6
319.09644	7.1
320.10150	0.7
321.04111	0.6
321.07529	2.9
323.12689	0.6
329.08008	0.8
331.05945	0.5
332.06824	0.7
333.07462	1.3
333.11459	1.2
335.09225	0.7
335.12845	1.4
336.09842	0.8
337.10468	0.5
346.08353	0.4
347.09149	8.3
348.09961	2.8
349.06921	0.8
349.10721	0.8
351.12332	10.0
361.10629	1.6
363.08612	0.4
364.09616	0.5
379.11771	50.6
380.12061	1.6
397.12979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1178
Annotation	Isomillettone
Peak:m/z	Relative Intensity
50.03028	0.3
50.87009	0.3
53.00303	0.9
53.03956	2.0
55.01879	0.9
55.69294	0.3
65.03938	1.7
66.04723	0.4
67.05490	0.8
68.99790	0.8
70.58752	0.4
70.80509	1.0
77.03943	1.2
78.04703	2.1
78.53434	0.4
79.05496	3.9
81.03422	10.8
81.07075	2.3
83.01348	0.8
85.02888	0.5
89.03921	1.7
90.16070	0.3
91.05487	10.8
92.02623	0.4
93.03421	2.6
93.07051	1.9
95.01317	2.9
95.04999	2.0
103.05466	2.4
105.03386	1.0
105.04523	0.7
105.07037	1.6
106.04180	14.3
107.04974	0.8
109.02893	0.5
109.06527	2.2
111.04476	0.7
117.03390	1.1
117.07056	0.6
118.04157	1.3
119.04947	2.9
119.05994	0.5
119.08588	0.4
121.02885	1.4
121.06515	32.3
124.05266	0.4
128.06242	0.5
129.06998	1.2
131.08633	0.4
133.02876	0.8
133.06497	1.1
133.73196	0.4
134.03659	4.8
135.04425	3.2
135.08052	0.9
137.02377	0.5
145.02849	1.8
147.04410	1.4
147.08070	1.9
148.05231	0.7
149.05988	100.0
150.06325	1.0
151.03938	0.6
153.05423	0.6
160.01627	0.6
161.02354	4.8
161.05966	1.2
162.03110	2.3
163.03902	1.2
165.06993	0.5
167.03415	0.8
175.03928	5.7
175.07574	1.1
177.05478	45.4
178.05949	0.6
180.04228	3.2
185.05965	2.7
187.03909	3.3
187.07578	0.5
188.01038	0.8
192.29694	0.4
195.06548	4.0
195.08154	0.5
201.05455	0.6
202.07877	0.4
203.03407	21.2
203.07037	30.5
204.07483	0.6
207.08058	0.5
211.07678	0.6
213.05510	0.5
215.06862	0.5
217.10204	0.6
219.08040	0.9
220.08807	0.4
221.04445	1.4
221.08162	1.2
235.07631	0.5
237.05482	0.5
237.09138	0.7
240.07823	1.0
243.06404	0.5
245.09695	0.8
247.07503	0.4
248.08281	1.1
249.05528	0.8
249.09067	0.6
251.06960	0.6
253.04886	0.8
253.08603	0.5
255.10199	4.0
259.07248	0.4
259.09650	1.4
261.05560	0.6
261.09164	0.5
263.07071	0.6
263.10760	0.7
265.04929	0.5
265.08682	0.5
266.05576	0.5
268.07156	0.4
271.05991	1.3
273.09152	1.6
275.07068	1.8
276.07840	1.6
277.05283	0.6
277.08649	2.3
279.06595	1.5
281.04590	1.0
281.08139	0.4
283.06015	0.9
283.09641	0.6
287.07178	0.5
289.05014	0.6
291.06815	0.7
291.10220	2.2
292.10626	0.5
293.05066	0.5
293.08163	1.8
293.11334	0.4
295.09595	0.5
296.06799	0.5
301.08670	1.3
303.06494	2.1
303.09879	0.8
304.07208	1.1
305.08133	2.9
305.11481	0.7
307.06006	0.8
307.09680	0.7
309.11081	0.8
311.09149	3.0
317.08179	0.6
319.06076	0.8
319.09628	6.5
320.10382	0.8
321.07584	2.7
323.12881	1.1
329.08130	0.6
331.06052	1.0
332.06943	0.6
333.07510	1.0
333.11157	1.4
335.09177	0.7
335.12854	1.3
336.10034	0.6
337.10849	0.9
346.08246	1.0
347.09140	9.0
348.09857	3.5
349.07135	0.8
351.12292	10.9
361.10825	1.8
364.09073	0.5
379.11780	52.0
380.12119	1.8
397.12943	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
53.19297	1.0
55.01864	2.3
55.05511	1.6
55.75393	1.1
56.05017	1.9
56.96560	3.4
57.03434	3.0
60.04525	2.7
61.02920	2.7
67.05495	3.0
67.11189	0.9
69.03430	8.6
69.07058	3.2
70.06595	10.5
71.04991	2.4
71.57127	1.8
72.08155	4.8
72.54919	1.1
73.02914	2.7
79.05494	4.3
81.03416	6.6
81.07075	2.2
82.06570	1.9
83.04974	2.6
84.08134	4.6
85.01140	2.6
85.02908	18.9
86.06857	1.0
86.09690	1.9
87.00849	1.3
87.04459	1.7
91.05493	5.1
93.07027	5.3
95.04929	2.9
95.08598	2.0
96.08105	1.6
97.02886	8.0
98.09730	1.5
98.97586	4.8
99.04468	3.0
99.12520	1.0
101.02322	1.5
102.05525	1.3
103.04012	1.6
103.05470	21.0
105.01837	1.4
105.07066	2.5
107.04995	1.5
107.08556	1.5
109.02884	3.2
109.06536	2.0
110.97558	1.4
112.02200	35.9
112.07633	5.7
113.06014	1.2
116.07101	7.1
116.98650	2.9
119.04956	2.8
120.04482	1.3
120.08112	1.2
121.02828	1.4
121.06524	5.7
121.10155	1.3
122.03650	2.1
122.06031	1.0
123.08009	1.1
124.07584	4.7
126.09145	4.8
127.03932	7.3
128.98575	1.2
129.05467	1.3
130.03235	7.9
130.08626	7.9
131.04926	4.3
135.04303	1.1
135.08092	2.1
136.07567	4.5
137.05984	100.0
140.07045	1.2
141.10283	1.2
144.10237	1.9
145.04993	3.6
146.99625	1.1
147.04417	2.7
149.05983	4.9
151.07533	2.3
153.09189	1.3
158.99689	2.1
160.98987	1.2
162.09149	1.7
163.03880	1.4
163.07562	9.8
167.07042	1.2
177.00662	1.3
181.08604	16.3
188.09340	6.4
196.06099	1.5
197.06242	1.5
204.12325	1.5
205.12624	2.0
207.08444	1.6
208.09766	1.7
216.08817	19.1
216.12189	7.1
216.15990	1.5
219.01790	2.2
237.02789	1.5
292.08594	1.4
300.43686	1.3
378.13965	1.9
378.21231	2.0
379.10596	1.4
379.15021	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	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	1.3
70.06540	1.2
81.03403	1.6
81.07077	1.7
81.50630	0.8
85.02937	1.3
91.05478	4.9
92.39568	0.8
93.07020	1.3
95.04965	1.1
98.97639	0.9
102.05537	2.0
105.07091	0.9
107.08591	1.0
108.08107	1.0
119.04980	1.3
119.08571	1.6
121.02914	1.7
124.07596	1.0
136.07597	1.6
145.10106	0.9
174.46489	1.0
175.03880	1.3
188.01106	1.0
207.06609	2.7
227.05324	1.6
255.11343	1.1
271.04230	1.9
278.45053	0.9
293.09998	5.1
307.06253	1.0
317.10043	1.7
335.11020	32.6
338.87497	0.9
347.12411	1.3
351.08606	1.8
375.37595	0.8
379.10037	100.0
380.10422	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	379.1179
Annotation	Decaspirone E
Peak:m/z	Relative Intensity
53.03939	0.9
64.69593	0.5
65.03945	0.6
69.03447	0.5
70.69352	1.0
70.69712	1.2
71.35521	0.6
79.05495	1.7
81.03497	0.6
81.07052	2.5
86.65784	0.7
91.05493	3.3
93.07069	0.9
95.04983	0.8
95.08577	0.8
98.97617	1.1
99.00350	0.5
105.03368	1.0
105.07036	1.6
106.04167	1.1
107.04942	0.8
109.06507	1.5
109.97741	0.7
119.04961	1.6
119.08582	1.2
121.02865	0.8
121.06511	4.8
129.07062	0.8
133.02861	1.2
134.03650	1.4
135.04408	4.6
137.02336	6.4
145.02901	0.7
145.06532	0.5
147.04457	0.9
147.08086	0.6
149.05994	11.4
150.75772	0.5
155.03377	0.6
155.04858	0.9
159.08035	2.2
160.01556	1.2
160.05170	0.9
161.02359	2.3
161.06026	1.4
162.03093	0.9
163.03802	0.7
163.71953	0.6
165.01845	0.6
175.03899	2.8
177.05479	18.7
179.03407	0.7
185.06021	1.7
187.03963	3.6
187.07547	3.0
199.07564	0.7
203.03427	3.7
203.07036	14.8
205.04962	0.9
205.06673	0.9
209.05916	0.7
215.07002	2.9
221.05972	0.7
221.15524	0.6
223.07573	0.6
227.07065	0.9
231.07935	0.6
232.08755	0.6
235.07625	0.7
237.05423	1.0
237.82126	0.6
237.91840	0.6
243.06451	1.2
245.09639	2.5
247.07596	1.6
248.08377	2.3
249.05518	0.9
249.09439	0.7
251.07014	1.8
261.05542	1.0
261.09100	0.7
262.06155	0.9
263.07202	0.7
263.10742	1.4
265.05023	1.8
265.08728	0.7
271.06046	6.6
273.09235	2.9
275.07077	2.8
276.07806	8.7
277.04947	3.3
277.08591	1.5
279.10162	0.6
283.05908	1.0
287.07010	1.5
289.05032	0.7
290.05844	0.8
291.06909	0.9
291.10175	7.3
293.04489	1.5
293.08173	2.1
301.08591	4.6
303.06827	3.1
303.10040	1.1
304.07379	3.9
305.08090	6.9
305.42337	0.7
315.06442	0.8
318.08966	0.7
319.09665	55.0
320.10098	1.9
321.07648	1.4
331.06128	0.8
332.06778	7.3
333.07556	7.4
333.11307	1.3
335.12769	1.0
337.10751	1.9
347.09158	17.4
348.09818	1.8
349.07025	2.6
351.12326	5.7
361.10553	0.9
364.09326	1.8
379.11789	100.0
380.11957	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	378.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01871	2.3
55.05516	1.3
56.05032	1.2
56.96569	3.0
57.03437	2.7
60.04518	2.9
61.02925	1.5
67.05507	6.6
69.03431	7.6
69.07061	5.5
70.06602	12.6
70.07994	3.6
71.05017	1.2
72.08165	5.7
73.02908	2.0
74.06088	1.3
79.05488	1.5
81.03425	6.3
81.07069	2.4
82.06569	1.2
83.05005	1.6
84.04517	2.9
84.08166	6.9
85.02420	1.5
85.02916	19.0
85.06570	1.2
86.03224	0.9
86.06092	1.1
86.09712	2.8
87.00854	1.6
87.04477	1.5
89.03898	1.0
91.05484	3.1
93.07064	2.7
94.04252	1.0
95.04960	2.5
97.02907	7.2
98.03196	0.9
98.97591	6.2
99.04454	3.2
100.07608	1.1
103.05489	1.6
107.04944	1.5
109.02898	3.9
110.06039	1.1
110.07219	1.0
111.04487	1.1
112.02206	4.4
112.07623	19.2
113.06033	2.8
116.07111	9.6
116.98628	3.0
119.04945	1.9
120.08131	1.9
121.06516	3.4
122.03659	3.2
122.06035	1.7
124.07612	1.0
127.03931	16.5
128.04274	8.3
129.04420	2.7
130.03246	2.8
130.04720	2.1
130.08614	5.0
131.00174	1.2
131.04962	2.0
132.10155	1.1
135.04372	1.7
136.07611	7.4
137.05994	100.0
138.06412	1.6
145.04979	3.0
147.04427	1.3
153.05527	1.0
161.01233	1.2
163.04002	1.6
163.07578	5.0
177.00743	1.3
177.05478	1.5
179.07051	1.3
181.08607	15.5
188.07216	1.2
200.05272	3.8
208.09718	2.6
214.08870	1.3
215.13937	1.1
216.15953	1.8
219.01805	1.6
235.14519	2.9
237.02792	2.0
249.16853	1.2
378.10919	1.4
378.15430	2.9
378.20520	2.3
378.25009	2.5
379.15012	1.2
399.09476	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01874	4.7
55.05509	0.7
56.05027	0.7
56.96556	1.5
57.03440	0.5
58.06581	0.4
61.01152	0.7
61.02913	1.0
67.05490	0.6
68.96013	0.5
68.99766	0.4
69.03434	4.7
69.07072	6.1
70.02950	0.6
70.06588	1.6
71.04983	1.0
71.55047	0.4
72.08176	0.9
72.93776	0.4
73.02913	1.1
77.53241	0.4
79.05516	0.4
80.25616	0.4
81.03422	4.8
81.07060	0.9
82.06588	1.0
83.04988	0.9
83.69547	0.4
84.08145	7.1
85.02912	6.0
85.06526	0.8
87.00847	2.1
91.05502	0.7
93.07036	0.7
94.06609	0.5
95.04975	1.5
96.04491	0.5
96.08137	0.7
97.02908	3.0
98.06062	0.8
98.09694	2.0
98.97584	2.2
99.04463	1.2
102.09212	0.4
103.05457	1.4
105.01859	1.0
105.07019	0.5
107.04981	0.4
109.02892	3.5
109.06485	0.7
110.06036	0.5
111.04442	0.9
112.02196	2.2
112.07613	36.2
116.07149	1.0
116.98608	0.6
117.01894	0.6
120.08173	0.7
121.02877	0.5
124.05231	0.4
124.07590	1.2
126.09157	2.1
127.03918	4.2
128.98648	0.5
129.01930	0.4
130.03232	0.9
130.08649	100.0
132.08430	3.5
134.99553	0.5
136.07559	1.0
137.06003	3.7
138.09099	0.5
140.07079	1.2
142.08661	1.1
145.04980	1.1
154.08621	5.2
158.99652	0.8
159.02878	1.0
163.07561	0.8
172.09683	6.2
178.08641	0.5
181.08575	0.9
192.10257	0.8
196.09732	1.7
201.22476	0.5
216.12344	1.3
219.01781	0.6
220.09604	2.0
231.05125	0.5
237.02870	0.6
238.10873	2.2
288.14551	0.7
310.08914	0.8
378.14255	2.3
378.21170	0.9
379.09988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01872	9.2
55.05506	3.4
56.05032	2.4
56.96566	6.9
57.03435	5.7
61.02927	5.6
67.05506	3.2
69.03430	15.0
69.07078	6.7
69.21896	23.5
70.06615	5.3
71.04992	7.1
71.93002	2.3
72.08154	8.8
73.02932	2.9
76.20767	2.3
81.03422	10.4
81.07066	2.7
82.06583	5.8
83.04982	2.6
84.04520	3.5
84.08141	7.7
85.02913	39.2
86.09689	5.5
87.04477	3.5
89.54906	2.5
94.06585	2.3
95.04987	7.1
96.08147	4.1
97.02912	16.5
98.09725	10.9
98.20734	5.6
98.97586	16.5
99.04432	14.8
102.05615	2.3
102.09183	4.3
107.08605	3.0
109.02902	7.6
110.06081	3.7
110.09671	3.4
110.97615	2.7
112.02180	6.2
112.07619	40.6
116.07085	3.7
116.98610	5.7
121.06616	2.1
123.04408	6.3
124.07575	4.1
126.09163	24.3
127.03921	11.7
128.10730	7.9
130.08650	100.0
136.07648	4.3
137.05974	6.7
138.09155	3.6
140.04689	25.8
140.07071	3.4
144.10196	9.7
145.05000	5.2
147.04422	3.4
148.03693	3.0
154.08652	5.6
155.07011	13.7
158.99649	3.6
163.03896	3.6
172.09674	3.6
177.00702	5.5
179.07076	4.4
180.10298	4.1
181.04916	3.4
181.08614	3.6
188.12778	2.9
198.11142	3.3
199.06012	20.5
200.12300	2.5
204.06358	2.7
205.06709	2.2
206.05864	5.8
206.55995	4.8
207.04950	3.9
208.05409	2.8
210.04494	3.1
216.12363	6.1
216.15849	3.4
219.01842	4.3
234.99026	6.3
237.02858	4.5
238.03876	4.7
256.04935	2.9
276.24817	2.6
288.14514	17.7
360.12424	4.2
378.13699	74.1
378.21478	7.3
393.09924	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	378.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
54.52201	2.0
55.01862	5.4
55.05508	4.1
56.05039	3.2
56.96564	43.3
57.03438	13.5
59.05001	2.4
61.02921	15.4
64.50946	1.8
66.13383	1.6
67.05495	2.4
69.03432	47.5
69.07027	2.0
69.78761	10.9
70.06588	6.2
71.04987	5.8
71.95232	2.9
72.08159	6.6
73.02911	14.2
73.06575	2.2
79.05486	2.3
81.03425	19.8
81.07031	2.0
82.06582	2.9
83.05012	3.4
84.08164	9.8
84.96039	9.8
85.02905	90.4
86.03227	3.4
87.04470	11.3
90.66540	2.1
91.03945	3.9
91.05469	7.1
93.65120	1.7
95.08588	2.5
97.02893	47.3
97.06552	2.8
98.09675	4.2
98.97586	100.0
99.04441	14.9
99.97910	2.5
100.99136	3.6
102.09189	4.5
103.05486	2.5
107.04935	8.3
109.02879	12.2
110.06051	3.1
110.97581	20.3
111.04429	2.2
112.07612	10.4
112.99123	8.3
115.00733	2.4
115.03940	4.4
116.98629	36.8
119.04929	8.0
121.06508	5.5
124.07615	2.7
124.99101	4.0
126.09155	7.7
127.00719	2.2
127.03928	25.7
128.04230	2.2
128.98619	21.9
130.04996	2.8
130.08621	10.8
131.00168	9.1
131.04909	4.6
131.49373	2.2
133.01752	2.3
134.99660	8.2
135.04428	3.0
136.07559	2.5
137.05992	23.6
138.05518	4.4
139.03938	2.2
141.05388	2.4
142.08624	2.3
143.00169	9.3
144.10216	6.5
145.01657	3.8
145.04951	11.5
146.99654	9.1
147.03249	2.3
147.04401	7.3
149.01247	7.6
149.04909	2.3
149.05984	6.8
151.07559	4.9
156.03320	8.1
158.99657	18.1
159.03191	2.1
161.01233	6.5
161.04750	3.2
162.99150	2.5
163.02740	3.5
163.04022	2.7
163.07556	3.3
165.00700	3.3
167.07062	9.4
168.03333	7.7
170.05168	3.8
170.99658	6.7
173.01262	8.7
174.04402	10.6
175.02818	3.0
177.00726	16.7
177.04256	3.1
177.05597	3.6
179.07191	1.8
180.06474	2.0
181.08574	22.8
184.04881	2.6
185.01270	2.3
186.04410	27.7
186.07629	3.8
187.02698	2.5
189.00717	5.4
189.04294	3.8
190.04907	7.0
191.03926	3.0
197.01221	2.6
198.04575	2.2
198.07602	4.4
199.02644	2.3
199.05333	3.1
201.00754	7.3
201.04294	3.2
203.02318	4.5
203.05852	2.6
204.05446	20.0
205.03764	3.2
207.05359	4.4
208.04881	4.0
209.08134	3.6
212.06224	4.7
213.00711	2.8
215.02162	2.5
216.12144	2.1
217.05539	2.3
219.01807	29.3
220.02222	2.6
223.05400	9.1
227.06808	14.6
227.08916	3.2
228.05400	18.2
229.03783	2.6
236.05008	4.0
237.02834	39.0
238.03180	2.8
242.03320	2.6
242.07060	4.2
243.01854	2.1
244.06204	3.0
246.06531	7.9
249.02629	2.3
249.06511	2.8
253.03812	4.9
257.03104	2.6
258.06503	4.2
265.03781	3.7
265.06268	2.7
268.02576	3.2
276.07523	4.7
280.07111	2.7
283.04874	7.1
285.06192	2.2
286.03534	2.6
288.08755	12.6
288.14465	12.6
295.07458	3.2
298.06830	4.5
302.09088	6.0
307.04800	4.6
310.08832	3.7
318.05872	2.6
321.08563	3.1
325.05981	7.9
336.10126	3.5
349.07809	3.9
360.09180	2.7
367.08676	3.6
369.11282	7.9
369.61490	3.6
378.13153	3.8
378.21185	8.5
379.08844	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	377.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	30.5
59.79179	9.0
67.05512	65.8
69.03431	18.4
69.07052	37.7
69.19446	97.5
69.99504	8.9
70.06584	32.5
71.04980	11.7
72.08179	10.8
79.05489	44.4
81.03397	16.7
81.06725	8.4
81.07069	100.0
83.04958	27.0
83.08637	16.5
85.02938	11.8
85.06554	82.7
86.09700	10.5
91.05485	61.6
93.07068	60.4
95.04978	22.4
95.08614	85.2
97.02912	14.5
97.06538	13.3
99.04462	10.4
103.05501	16.8
105.07035	73.6
107.04981	14.7
107.08617	50.2
109.06499	12.0
109.10152	42.7
117.06993	16.7
119.08591	34.8
119.33462	9.2
120.08111	14.0
121.06459	12.5
121.10141	46.1
123.11698	15.1
127.03852	13.8
131.08568	22.0
133.10123	42.1
135.11671	31.8
142.07722	11.6
145.10107	43.9
147.11697	16.2
149.13243	20.7
157.10271	12.4
159.11688	15.4
161.13303	21.7
163.14723	10.7
171.11696	13.5
173.13286	20.0
175.14850	17.7
175.20033	10.1
185.13254	13.5
187.14845	12.7
196.74690	9.9
203.05315	19.0
213.16296	11.0
252.10719	11.3
284.09283	16.2
285.07971	12.1
287.23520	15.1
345.10651	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	377.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.6
56.12225	0.4
56.61623	0.4
60.65321	0.4
65.03946	2.1
67.05495	0.8
68.63167	0.4
69.07085	2.9
71.57813	0.6
75.92794	0.4
81.07059	1.7
83.01350	1.8
91.05488	99.1
92.05827	1.6
92.56678	0.4
93.07027	0.9
95.04973	0.7
95.08617	1.0
98.97581	0.6
103.05469	0.4
105.03416	0.9
105.07043	1.9
109.10161	1.1
135.04384	0.5
141.07024	1.8
143.08580	0.7
147.04431	1.8
149.02379	0.6
153.06966	0.5
155.08557	1.0
157.06522	1.2
161.06035	0.7
163.03915	1.0
165.07036	0.8
167.03412	0.7
167.08611	0.7
169.10143	0.7
171.08017	0.6
175.03923	16.6
178.07774	2.0
178.19214	0.4
179.07054	0.6
179.08562	8.1
181.06541	0.6
182.07306	0.6
183.08035	0.7
189.05495	1.1
193.04950	0.8
193.10265	0.4
195.08162	0.6
197.09641	2.5
199.07611	2.8
207.08055	4.4
210.06776	1.7
211.07632	2.9
223.07620	1.0
225.09119	9.2
235.07539	7.0
241.08632	1.8
251.07123	1.0
253.08621	100.0
254.08987	2.0
255.10233	2.4
267.10242	2.0
267.13782	0.4
271.09622	0.8
295.13223	1.0
313.14297	2.0
315.11172	0.6
321.14789	0.7
337.42459	0.4
359.94263	0.5
377.10373	1.6
377.21146	46.6
378.21460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	19.9
55.05504	12.5
57.03438	7.4
65.44395	5.7
67.05498	11.6
69.03429	71.7
69.07078	40.1
69.19902	5.1
70.06572	7.4
71.04977	21.4
79.05470	14.2
81.03411	58.4
81.07043	15.5
83.04967	15.4
83.08604	5.7
85.02908	48.8
85.06541	10.1
87.00818	20.4
91.05460	10.5
93.07037	9.1
95.04961	7.7
96.67720	4.8
97.02871	15.8
98.97592	8.4
99.04448	24.8
102.59971	6.1
105.07034	23.1
107.04929	8.7
107.08591	6.1
109.02884	48.9
109.06493	5.8
109.10156	13.6
111.04440	10.2
111.11761	7.1
117.07017	8.2
119.08570	7.0
120.08076	7.5
121.06492	10.0
121.10191	8.4
122.06098	6.2
127.03934	100.0
129.12787	6.6
130.07803	5.7
133.10110	14.8
135.11711	7.0
145.06430	8.3
145.10184	15.1
151.87157	5.4
157.10240	5.8
159.11644	9.5
177.76559	5.3
187.11224	8.6
192.05083	5.7
213.03978	6.1
231.05011	25.5
342.27835	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	377.2112
Annotation	Ovaliflavanone A
Peak:m/z	Relative Intensity
53.07543	0.4
53.92843	0.5
55.82475	0.5
64.50267	0.6
65.03934	3.9
69.07070	4.8
71.08585	0.7
71.31317	1.2
71.31667	0.6
76.21351	0.6
81.07041	1.0
83.01329	0.7
89.06030	1.4
91.05484	50.6
91.72455	0.6
93.03400	1.8
97.51836	0.5
105.07056	0.6
119.08604	0.7
121.02871	1.4
123.01429	0.5
131.01285	3.2
131.04955	1.4
133.08601	0.9
141.06993	1.1
143.08492	0.9
147.04477	1.4
149.02347	76.3
150.02675	0.6
157.06505	0.6
163.03912	3.2
163.35928	0.6
167.03407	70.5
168.03831	1.0
175.03922	8.1
178.07747	0.8
179.08609	4.1
181.06339	0.6
183.08073	0.8
195.12408	0.6
197.09621	1.5
199.07617	0.9
207.08093	1.9
211.07608	1.6
217.08560	0.7
225.09145	4.7
229.04514	0.6
235.07507	3.7
251.07184	0.7
253.08612	100.0
254.08884	2.6
255.10161	1.5
267.10172	3.5
267.12854	0.5
273.14874	2.1
295.13327	1.2
307.32172	0.5
309.14871	0.8
313.14273	0.9
321.14914	1.7
350.46277	0.6
377.21152	31.2
378.21280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
53.20296	0.5
55.01863	1.3
57.03425	1.7
61.02909	0.6
64.02190	0.5
65.03954	0.8
67.05508	0.9
67.93774	0.6
69.03415	1.1
69.07076	0.9
73.02911	0.7
77.28239	0.5
78.55103	0.6
79.05495	6.0
81.03427	1.0
81.07040	0.9
82.71957	0.5
85.02911	7.8
91.05485	43.9
93.07088	1.1
95.04974	2.1
95.08604	1.3
97.02896	1.9
100.29783	0.5
103.03972	2.7
103.05486	3.9
105.07037	100.0
106.07375	1.5
107.04995	1.5
107.08591	0.7
109.02901	1.7
115.05459	0.7
117.06982	0.9
121.06577	0.8
123.04478	1.5
129.06998	1.2
131.08623	0.8
133.06491	5.5
137.05966	2.5
141.06972	0.7
143.08597	0.7
147.04413	2.9
147.08044	1.3
149.05962	0.7
151.07524	0.9
157.06528	0.9
159.11778	0.6
160.05209	0.7
161.05989	13.7
165.05518	1.5
169.79802	0.5
171.08044	0.6
173.05981	1.1
175.07555	1.8
179.07079	5.0
186.06850	1.1
189.05516	1.2
201.10028	0.6
203.07068	2.1
213.05554	0.8
214.06267	0.7
215.10690	2.7
226.49571	0.6
227.10680	44.2
228.11018	1.4
231.06648	0.9
239.10672	16.2
251.10658	3.7
253.12294	1.3
257.11752	26.0
258.12125	0.8
277.12344	1.7
281.11749	12.8
293.11798	1.5
305.11731	1.9
311.12833	1.5
319.06082	0.6
323.12817	4.2
341.13953	2.7
359.15277	0.7
377.10773	2.8
377.15811	3.4
377.23264	0.6
395.64673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1359
Annotation	Lactacystin
Peak:m/z	Relative Intensity
56.96553	0.7
69.69414	2.6
91.05541	0.5
98.20748	1.0
178.03210	0.5
197.12393	0.5
269.44485	0.6
283.09738	1.2
377.13651	100.0
378.13943	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1458
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03965	2.0
55.01859	0.6
57.03442	8.2
59.04993	0.5
61.02937	3.8
62.52481	0.4
69.03436	14.3
69.59557	2.8
70.06579	0.8
71.01366	3.1
71.04995	3.9
73.02930	2.1
74.30971	0.3
75.04486	2.9
79.05478	0.5
81.03057	0.4
81.03421	4.3
81.07029	0.6
84.08134	0.5
85.02879	0.6
87.04467	0.6
91.05464	0.8
99.03918	0.5
99.04469	6.0
103.05480	0.4
105.07014	0.8
107.08626	0.6
109.06495	0.6
109.10175	0.4
113.06046	0.4
117.05476	1.6
118.06522	0.4
120.41846	0.4
125.09542	0.4
130.06511	0.7
137.06012	2.9
138.06305	0.9
145.07635	2.8
151.03955	0.5
157.06360	0.5
157.07639	0.8
159.09145	0.9
170.07164	2.3
172.08714	36.7
174.10295	0.5
175.08713	0.5
179.10648	0.7
190.09744	1.0
197.11700	0.5
198.06638	8.7
198.10312	0.5
200.08206	5.6
201.09055	0.7
203.10960	0.6
214.09651	0.4
215.18521	0.5
216.07704	19.4
225.07693	0.6
231.14943	0.6
243.08794	81.4
244.07005	0.7
244.09166	1.3
273.11359	0.7
316.12827	0.6
317.11346	0.6
341.12506	0.6
359.13507	4.2
377.14590	100.0
378.14951	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01867	1.9
55.05504	4.0
57.03431	2.3
57.07055	1.2
62.75654	0.9
67.05500	5.8
69.03423	4.3
69.07070	6.0
71.04970	1.5
71.57684	1.5
73.02905	0.9
73.06557	0.9
79.05487	10.2
81.03416	3.5
81.07061	11.5
82.32178	0.9
83.04979	2.2
83.08611	2.5
85.02924	9.5
85.06577	5.5
85.06989	1.1
87.49219	1.0
91.05479	44.6
93.07038	6.0
95.04960	3.8
95.08611	8.7
97.02901	3.3
97.06499	1.4
97.10157	2.1
99.08086	2.7
103.03934	2.5
103.05475	3.6
105.07031	100.0
106.07372	1.9
107.04974	1.6
107.08625	6.2
109.02890	2.3
109.06474	1.8
109.10162	6.1
111.08078	1.1
113.09596	1.3
115.05338	1.2
117.07025	1.6
118.27837	0.9
119.08585	4.3
121.06517	1.9
121.10132	5.0
123.04399	1.2
123.08107	1.3
123.11726	2.1
127.03904	2.9
127.11169	1.1
128.06317	1.1
129.06992	1.9
131.08591	2.1
133.06499	6.6
133.10106	4.4
135.08032	2.6
135.11670	2.6
137.05966	3.0
137.13272	1.1
143.08560	1.9
145.10112	4.3
147.04370	1.7
147.08113	1.1
147.11707	2.4
149.05928	1.7
149.13225	1.4
157.06435	1.1
157.10162	1.3
159.11746	2.5
161.05965	10.5
161.13225	1.6
163.11147	1.2
165.05472	2.5
173.13312	2.4
175.07542	2.2
177.16431	1.8
178.16762	1.4
179.07033	3.8
186.06754	1.0
195.17528	1.6
203.06992	1.6
215.10689	2.9
215.19011	1.0
227.10664	41.3
228.11006	1.2
239.10622	14.9
251.10577	4.1
257.11743	22.8
266.05704	1.2
281.11734	12.5
287.23782	1.4
293.11700	2.7
305.11719	2.3
305.24872	1.9
311.12881	2.4
315.18680	1.1
316.03882	1.1
323.12933	4.9
341.13794	2.6
377.15982	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	377.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31362	0.7
53.03935	0.9
53.12046	0.7
55.01864	1.5
55.05507	1.3
56.96561	3.3
59.84761	0.8
65.03938	1.0
67.05493	1.2
69.07058	1.1
70.98124	0.8
71.51928	0.7
71.58356	1.1
75.04485	5.5
76.47630	0.7
79.05493	7.2
80.70058	0.7
80.72064	0.7
81.03424	1.6
81.07050	1.6
85.02907	1.1
88.75057	0.8
91.05484	9.7
93.07034	2.2
95.04984	5.5
95.08595	1.7
98.97583	1.6
101.06004	1.3
105.03375	2.5
105.07033	3.2
107.04953	11.6
107.08614	1.1
108.02070	0.8
109.02838	1.1
109.06527	3.1
109.10136	1.3
111.04469	1.7
113.02370	1.4
117.03378	1.3
119.04971	5.3
119.05725	0.9
121.02928	1.0
121.06509	5.5
123.04407	1.2
123.08097	2.0
125.05930	0.9
131.08530	1.4
133.02864	9.4
133.06479	2.3
134.03592	0.8
135.04425	11.3
137.02415	1.1
137.05998	1.4
139.07559	1.4
145.06517	1.0
145.10127	1.2
149.05971	7.6
151.03909	100.0
151.07521	13.5
152.04213	1.9
153.05507	1.8
159.11688	0.9
161.02357	5.7
161.05965	4.0
163.03929	9.0
165.05533	5.0
167.07065	2.9
169.04970	1.3
175.03835	0.8
175.07758	0.8
177.05472	11.3
183.10258	0.9
189.01837	17.5
189.05513	5.1
191.07025	1.5
193.05026	2.4
195.06538	14.3
195.08212	1.2
201.05440	1.8
203.03453	1.6
203.07065	1.9
205.04869	1.0
209.08113	1.1
211.07585	1.0
213.09154	2.2
214.06274	1.0
215.07094	1.2
217.04941	9.8
221.04504	3.4
227.07056	1.1
227.09059	1.0
229.08659	2.5
235.05991	0.9
239.05385	14.3
241.08578	2.0
243.06491	1.2
251.07100	1.1
257.08060	2.2
259.06033	1.6
259.09634	0.8
267.06516	1.2
275.09122	1.0
277.10776	1.0
285.07642	2.5
295.05984	2.7
297.07150	0.7
301.07724	1.1
301.10779	7.8
310.93762	0.9
313.07053	30.7
314.07639	0.9
317.10098	6.0
327.08618	4.2
333.13373	1.6
345.09763	21.5
359.11151	1.2
359.73862	0.9
377.09750	1.4
378.31955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85444	1.2
53.03976	1.3
55.01868	6.1
57.03427	2.4
58.21924	1.3
61.02932	6.1
65.65751	1.2
68.99805	8.7
69.03415	3.0
70.91445	3.0
71.01353	1.5
79.05482	3.0
81.03414	5.3
85.02910	9.6
87.00838	11.8
91.05498	10.9
92.36069	1.5
96.12867	1.4
97.02870	3.7
103.01086	1.2
103.05451	4.3
105.01858	2.0
105.07040	19.0
107.04946	1.9
111.04476	1.4
113.98961	1.4
115.05453	10.7
116.06216	1.4
117.07016	4.1
121.06474	3.2
123.37411	1.4
128.06250	6.8
129.01839	5.4
129.06992	6.8
130.07755	1.5
131.04956	4.3
131.08539	1.4
133.06491	2.9
137.05960	4.5
141.07019	14.2
143.04953	2.9
143.08542	3.8
144.05711	12.5
145.06479	6.2
146.07245	1.4
148.05177	4.5
149.05901	2.1
151.07526	1.6
152.06207	4.2
153.06934	4.9
155.04860	2.7
155.08546	2.2
157.06502	6.1
158.07266	14.5
159.04420	2.7
159.08051	7.0
160.05193	5.5
161.05992	29.8
161.09592	2.7
162.06767	4.4
163.07523	3.6
165.06970	4.9
167.08548	12.0
168.05705	2.3
169.06500	12.8
170.07285	6.5
171.03035	1.4
171.04420	5.7
171.08031	8.6
172.05234	7.0
173.05968	3.2
173.09625	4.1
174.06717	7.5
175.07542	19.4
177.05553	1.7
177.06947	1.7
177.09097	8.1
178.44185	1.7
181.06474	4.8
183.07985	2.2
184.05154	3.1
184.08842	3.2
185.06047	7.6
185.09578	4.0
186.06729	15.0
187.07558	39.0
188.04662	5.4
188.08134	2.1
189.05443	5.2
189.09123	9.2
190.06264	5.8
191.07076	7.1
195.08084	14.2
196.08853	2.0
197.05994	7.1
198.06720	4.2
199.03900	5.2
199.07585	7.3
200.55640	1.3
201.09119	79.4
202.09824	2.2
203.07037	1.7
203.10690	9.3
204.07793	2.1
205.04808	1.5
209.09621	1.9
211.07584	3.7
212.08293	5.6
213.05611	2.1
213.09123	11.3
214.06271	13.5
215.07050	1.5
215.10722	8.4
215.73299	1.4
217.04980	11.9
217.08577	3.0
217.12146	1.9
223.07481	4.8
225.09100	3.3
227.07164	3.1
227.10683	52.3
229.08615	14.9
231.10130	10.0
232.07298	26.7
237.09021	4.1
239.10574	2.9
240.07811	2.1
241.08452	2.2
243.10161	4.5
245.08075	1.9
245.11726	5.9
255.10190	37.5
257.11743	2.9
261.11218	3.2
273.11240	100.0
274.11511	2.9
281.11942	1.8
291.12305	8.1
299.09177	1.7
317.10187	3.0
323.12540	1.5
332.89032	1.3
377.11972	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01862	0.7
55.05503	1.1
57.03432	2.0
61.02915	0.5
67.05505	1.1
69.03450	2.9
69.07082	2.0
69.40197	3.2
70.06591	1.1
71.04979	1.0
72.08134	0.4
73.02934	0.5
75.04486	0.7
79.05484	1.2
81.03444	2.0
81.07055	1.5
82.06583	1.0
83.05003	0.5
85.02915	5.6
85.06537	0.6
86.09698	1.6
87.04455	0.8
91.05479	1.5
93.07047	1.7
94.06570	1.6
95.04982	0.6
95.08614	1.5
96.08128	1.9
96.08701	0.4
97.02900	3.1
97.06539	2.6
97.10177	0.4
97.70899	0.5
98.97575	0.6
99.04432	0.8
105.07037	1.1
106.06551	0.6
107.04971	0.6
107.08570	0.8
108.08118	0.9
109.02888	1.4
109.06514	1.2
109.10142	0.6
110.06048	0.7
110.09720	0.7
115.00059	0.4
115.03928	0.5
116.07072	0.7
116.10626	0.4
120.08089	1.1
121.06503	0.6
121.10137	0.6
122.09666	3.0
123.06807	0.6
123.08065	1.5
124.07603	26.5
124.11191	0.6
125.09558	0.6
126.09155	2.0
127.03939	2.3
128.04311	0.6
131.08505	0.4
132.58351	0.4
133.10193	1.4
135.11676	0.8
136.07501	0.5
136.11238	2.4
137.05971	0.9
137.09584	0.5
138.09149	21.4
140.10699	2.8
147.04436	0.5
150.09125	0.7
150.12788	10.5
151.11186	0.6
152.10706	2.0
157.07677	0.5
160.11253	0.5
161.02382	0.6
161.09633	1.1
166.08682	0.5
168.13889	0.6
176.10738	0.4
178.12289	12.7
179.10680	3.1
187.03958	1.2
194.02307	0.4
195.10039	0.4
196.13342	7.2
208.57019	0.4
209.09267	0.9
214.14395	100.0
215.14726	1.7
226.14378	0.5
238.14281	0.8
243.02866	1.3
256.15567	0.5
261.03918	0.8
271.10938	0.6
280.15497	0.5
292.15552	1.1
349.07089	1.5
376.15921	0.5
376.19739	6.3
377.06561	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	376.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01870	1.4
56.05056	0.6
56.96568	0.7
57.03427	1.8
59.05008	0.6
60.04524	0.6
60.09856	0.4
61.02935	3.0
62.64462	0.5
64.68865	0.5
66.16889	0.6
69.03433	6.4
69.07051	1.0
70.06598	1.7
70.85208	0.7
70.85542	1.3
71.05011	0.6
72.08152	1.2
73.02917	0.7
74.06086	0.8
81.03416	2.6
81.07057	0.9
84.04518	1.1
84.08141	1.2
85.02914	20.0
85.03429	1.1
86.09705	2.2
87.04456	0.7
91.03953	1.2
91.05485	1.0
97.02905	6.7
98.06071	0.7
98.97582	1.5
99.04449	0.9
102.05544	0.8
109.02916	1.6
110.06063	1.0
116.07108	1.5
117.03168	0.6
120.08147	1.1
122.03619	1.0
124.07651	0.9
127.03925	4.8
128.07103	1.0
128.46129	0.5
130.46922	0.6
137.05989	100.0
138.09146	0.6
145.04971	6.2
146.06065	0.7
151.07542	1.2
156.40083	0.6
158.06474	0.6
166.08601	0.7
179.07047	34.5
180.08653	1.2
187.10806	0.9
187.14368	0.7
188.03804	0.7
197.08044	4.1
202.02132	0.6
203.13911	1.0
214.10872	0.9
214.14409	0.6
215.10321	1.0
254.44522	0.5
255.11131	0.6
300.08655	1.1
308.13409	0.6
332.13776	1.3
376.16489	1.0
377.17755	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	375.238
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
50.33995	1.9
51.54488	1.8
53.03950	2.8
55.01889	2.6
55.05513	8.7
57.01992	1.9
57.07089	1.9
61.02932	2.8
67.05509	4.4
69.03424	7.6
69.07077	13.7
69.23157	17.5
70.06594	3.7
71.04993	4.4
72.08159	3.5
73.31321	1.7
79.05501	5.4
81.03421	4.7
81.07056	19.4
82.98746	1.8
83.08617	6.3
85.02907	10.8
85.06562	4.4
86.09698	3.1
86.13303	1.8
91.05521	2.4
93.07040	15.1
95.04994	2.9
95.08614	27.0
96.08149	2.3
97.02875	3.3
97.10158	4.9
99.08096	15.5
105.07040	4.8
107.08601	32.7
109.02894	3.4
109.06551	3.1
109.10170	8.2
110.09779	1.8
111.08099	5.3
113.09615	2.6
119.08603	2.2
121.10150	45.4
123.11777	2.7
125.09636	5.8
127.03921	30.2
131.08566	1.9
135.11703	10.0
137.05957	3.0
137.13284	6.1
138.09190	3.5
143.08784	2.1
145.04904	1.8
145.10153	2.2
146.06110	2.1
149.13216	4.1
151.03903	2.2
166.08664	5.7
172.03941	8.0
177.16391	100.0
178.16763	3.1
189.09140	3.0
190.05089	1.8
195.17502	15.4
204.06635	10.3
213.18509	29.0
241.77275	1.7
259.11215	1.6
272.96863	1.7
272.99942	1.6
277.04254	2.0
305.71359	1.8
347.07532	2.4
357.09906	2.6
369.80676	2.4
375.10776	2.6
375.19363	3.2
376.19501	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	375.2381
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03945	5.3
55.01871	8.3
55.05518	23.8
57.03441	10.7
57.07080	2.7
57.31129	1.3
59.04993	3.7
61.02939	13.6
67.05511	8.9
69.03432	38.5
69.06714	2.9
69.07074	43.7
69.28628	10.0
69.29036	2.8
71.01365	2.1
71.04991	11.0
71.08614	1.3
71.39394	1.3
73.02918	6.6
79.05510	7.3
81.03428	17.6
81.07064	32.7
83.01342	2.1
83.04991	10.3
83.08626	8.5
85.02911	82.0
85.06542	25.4
87.04489	9.4
88.50909	1.5
91.03955	6.4
91.05476	5.3
93.07054	17.6
95.04984	2.7
95.08616	41.9
95.09233	2.1
97.02896	29.5
97.06548	5.4
97.10191	9.4
98.20630	2.6
99.04470	5.2
99.08109	27.0
99.32031	1.5
105.07040	4.8
107.08601	35.4
107.09294	2.9
109.02888	13.5
109.10180	17.9
110.86707	1.4
111.08098	5.0
111.11733	7.6
113.09652	8.3
115.03914	1.9
119.08623	2.1
121.10150	39.4
122.19820	1.6
123.11710	9.5
124.07709	1.4
125.09637	6.4
125.13281	2.3
127.03925	67.5
127.11254	1.9
135.11716	19.7
137.05984	2.0
137.13251	21.5
139.11186	9.1
144.34601	1.4
145.04974	17.9
147.11748	1.6
148.03947	3.0
149.13283	5.5
151.03906	2.3
151.14824	5.1
153.12749	11.8
177.16400	100.0
178.16734	2.7
195.17467	39.9
213.18512	48.1
262.09210	1.5
343.04535	2.1
375.18427	1.6
375.23706	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	375.1957
Annotation	Spinochalcone B
Peak:m/z	Relative Intensity
53.03938	0.4
55.01869	0.6
55.05494	0.3
57.07064	0.4
60.38174	0.3
65.03927	0.4
67.05505	1.7
69.07076	1.9
70.34270	0.9
70.34650	0.6
79.05491	0.5
79.46404	0.3
81.07064	7.9
83.01375	0.3
91.05482	2.2
93.07030	0.9
95.04977	0.6
95.08617	1.6
98.21368	0.4
103.05442	0.5
103.13911	0.3
107.08601	0.9
109.10155	0.6
111.11681	0.4
115.05454	0.7
121.10098	0.6
123.11707	6.8
129.06987	1.2
131.04906	0.3
135.11720	0.7
141.06975	3.7
151.03888	1.1
151.07504	0.3
152.06215	5.6
153.06999	1.0
155.04944	0.9
155.08578	0.6
165.06990	4.9
166.07806	2.3
167.08565	11.4
169.06517	1.3
175.03926	0.5
176.06216	1.0
177.06982	3.8
178.07784	1.2
179.08499	2.2
181.06482	0.7
183.07874	0.4
194.07288	0.7
195.08060	6.5
197.05986	13.8
205.06461	2.0
207.08080	1.6
208.05222	0.5
215.06981	0.4
222.06686	0.4
223.07544	14.2
225.09151	0.6
235.07552	10.1
237.09106	0.6
239.07050	1.9
247.07652	0.7
249.08968	0.5
251.07042	100.0
252.07376	2.4
253.08615	13.1
254.08949	0.5
261.09164	0.4
261.54617	0.3
265.08609	1.5
269.08167	0.7
273.09030	1.0
275.10632	0.7
277.08649	0.5
290.09564	0.4
291.10208	2.1
293.11685	3.5
297.07474	0.5
298.08139	0.4
301.12164	0.8
305.11435	0.3
306.12469	1.2
307.13351	1.1
311.12817	0.5
313.10754	4.5
315.13730	0.5
319.13281	0.9
332.14185	0.5
333.14914	0.4
357.18530	1.5
375.19556	22.8
375.36600	0.5
376.20020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1956
Annotation	Spinochalcone B
Peak:m/z	Relative Intensity
51.39552	0.4
55.05511	0.6
56.96572	1.0
65.03936	2.0
67.05505	4.2
69.03415	0.5
69.07075	3.1
71.11535	1.0
79.05496	1.4
81.07063	6.8
83.01352	1.2
88.07652	0.5
91.05486	97.3
92.05827	1.3
93.07056	2.1
95.04984	0.9
95.08619	1.7
96.10962	0.4
103.05485	1.2
105.03393	1.8
105.07056	1.4
105.51574	0.5
107.04962	0.5
107.08625	2.4
107.15099	0.5
109.10152	5.9
115.05453	0.5
117.07053	0.8
117.74313	0.4
119.04954	0.9
119.08598	0.7
121.06523	0.6
121.10209	0.6
123.11706	5.9
123.99773	0.5
129.06998	1.0
135.04437	0.9
135.11700	2.0
135.29749	0.4
141.06973	2.1
143.08594	0.7
147.04425	2.0
149.02368	2.5
151.03935	4.0
151.07544	1.4
152.06181	0.4
153.06987	0.8
154.07799	0.7
155.08578	1.2
157.06468	1.1
161.06001	1.4
163.03923	1.6
164.96919	0.4
165.07019	1.1
167.03427	1.8
167.08553	0.8
169.10091	0.6
171.08022	0.5
175.03912	16.7
175.07510	0.5
178.07777	2.5
179.07060	1.0
179.08545	7.4
181.06543	0.9
183.08058	1.5
184.85249	0.4
185.06065	0.6
187.07573	0.6
188.56432	0.5
189.05455	3.1
189.09302	0.6
193.04887	0.5
195.08098	0.9
197.05850	0.5
197.09653	1.7
199.07616	2.8
201.05505	0.6
201.09041	0.5
203.07022	0.6
207.06487	1.0
207.08099	4.1
209.09612	0.5
210.06810	2.4
211.07529	2.7
213.09157	0.9
214.31062	0.4
215.07021	0.5
217.08644	1.6
223.07602	1.1
225.09123	8.3
226.64291	0.6
229.08662	0.7
234.10205	0.5
235.07562	7.3
241.08698	2.9
243.06784	0.4
251.07025	0.6
253.08614	100.0
254.08868	2.4
267.10175	3.6
268.54132	0.5
269.08041	1.0
271.09662	1.3
277.08771	0.9
277.21747	0.5
279.10065	0.8
281.11722	0.6
291.10226	0.8
293.11697	1.1
295.13333	5.1
297.07449	1.1
298.08240	0.5
301.12091	0.5
307.13300	2.1
313.10712	11.6
319.13315	7.7
333.14731	0.6
334.17709	1.8
375.19577	48.7
375.36545	1.6
376.19766	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.05518	0.8
56.96527	0.5
57.07085	1.0
64.02669	0.4
65.03947	2.2
67.05514	3.3
69.07072	1.4
69.41833	0.4
70.06601	0.6
79.05496	1.4
81.07059	5.5
83.01327	1.3
83.08598	0.7
88.07635	0.5
91.05486	100.0
92.05800	1.5
93.07053	1.6
95.04964	2.5
95.08585	1.5
102.09181	1.0
103.05462	1.1
103.68937	0.5
105.03392	1.2
105.06367	0.5
105.07044	1.9
107.04990	0.4
107.08620	2.2
108.47468	0.4
109.10171	3.9
117.07008	0.5
119.04945	0.6
119.08594	0.8
121.06541	0.8
121.10137	0.8
123.11729	4.9
129.06973	1.1
133.10139	0.6
135.04431	0.9
135.11693	1.9
141.07028	1.4
143.08598	1.1
145.10013	0.7
147.04402	2.3
149.02357	1.4
151.03905	7.8
151.07538	1.3
153.07002	1.5
155.08603	1.4
157.06560	1.0
161.06079	1.1
163.03903	1.1
165.06956	1.1
167.03436	1.1
167.08543	0.8
169.10072	1.0
171.08055	0.6
175.03922	13.4
177.05495	0.9
178.07787	2.5
179.07063	1.6
179.08592	6.8
180.09300	0.5
181.06503	1.0
182.07301	0.8
183.08083	1.2
187.03896	0.6
189.05467	1.6
191.08585	0.5
195.08177	0.9
197.06007	0.6
197.09657	1.7
197.52663	0.5
199.07594	2.6
201.05537	0.5
201.09091	0.5
203.07071	0.5
205.04996	1.2
207.06456	1.4
207.08119	3.9
209.05901	0.5
210.06738	1.5
211.07542	2.6
213.05428	0.5
213.09128	0.7
223.07507	0.8
225.09131	6.2
226.09496	0.4
227.07150	0.5
229.08766	0.5
235.07558	6.7
241.08510	2.3
251.07054	2.3
253.08614	93.1
254.08943	2.4
254.49911	0.5
255.10178	0.7
267.10123	2.2
269.08063	1.7
271.09674	2.3
275.72656	0.5
277.08752	0.6
281.08139	0.8
283.06137	0.8
291.10205	1.6
293.11792	2.4
295.13263	1.8
297.07544	2.5
298.08350	1.4
303.21790	0.5
304.38095	0.5
307.13080	0.7
312.32834	0.7
313.10706	22.9
313.33011	1.6
314.10904	1.1
319.13275	3.2
357.09665	1.9
374.36243	0.7
375.19565	38.6
375.36499	3.7
376.19858	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1957
Annotation	Spinochalcone B
Peak:m/z	Relative Intensity
53.13894	0.2
55.01870	0.7
55.05517	0.3
56.99896	0.2
57.07075	0.4
58.68259	0.3
65.03942	1.9
67.05504	2.2
68.89553	0.3
69.07077	1.3
70.30728	0.9
73.01530	0.2
79.05492	0.6
81.07058	3.3
82.98656	0.2
83.01340	1.5
91.05485	100.0
92.05814	1.1
93.07033	1.4
95.08582	0.4
103.05472	0.5
105.03398	0.9
105.07036	0.6
107.08565	1.5
109.02896	0.6
109.10154	3.0
115.05500	0.3
117.07004	0.2
119.04968	0.3
121.02882	0.3
123.11716	7.1
124.23622	0.2
128.06268	0.3
129.07018	0.8
131.05026	0.4
135.04434	0.6
135.11731	1.6
141.07027	1.6
143.08609	0.9
143.12025	0.2
145.06474	0.2
145.28920	0.2
147.04433	2.0
149.02397	0.4
151.17827	0.2
152.06273	0.3
153.06969	0.6
154.07799	0.4
155.08563	0.8
157.06508	1.0
159.08093	0.3
161.06007	0.7
163.03960	0.6
165.06963	0.7
166.07869	0.5
167.03413	0.6
167.08592	0.8
169.06488	0.5
169.10172	0.6
171.04413	0.4
171.08032	0.6
173.06020	0.3
175.03917	14.5
178.07739	2.2
179.08568	6.6
181.06493	1.0
182.07277	0.7
183.08060	0.8
185.09680	0.2
189.05478	1.3
193.04930	0.5
195.08115	0.4
197.06026	0.3
197.09630	2.2
197.75920	0.2
199.07555	2.6
201.05374	0.3
205.49171	0.3
207.08051	4.3
209.05965	0.3
209.09581	0.3
210.06755	1.8
211.07579	2.6
215.06937	0.5
217.08662	0.8
223.07520	0.6
225.09122	6.9
235.07547	7.2
236.07973	0.3
237.09023	0.2
238.06270	0.3
241.08606	2.5
251.07027	0.4
253.08609	98.9
254.08968	2.0
265.08514	0.3
267.10110	1.7
271.09482	1.6
277.08527	0.8
291.10071	0.4
293.11722	0.9
295.13214	2.0
307.13275	0.5
313.10660	0.7
319.13376	3.6
333.15012	0.4
375.19562	30.1
375.99854	0.3
376.04794	0.3
376.19925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.25134	0.2
64.19673	0.3
64.38184	0.2
65.03927	1.9
65.82438	0.3
67.05500	1.1
69.07081	0.6
70.86927	0.4
70.87270	0.3
74.30637	0.3
79.05505	0.6
81.07054	1.9
83.01350	1.1
91.05486	94.6
92.05830	0.8
93.07066	0.8
95.04961	0.3
95.08605	0.5
103.05483	0.4
105.03412	0.9
105.07053	0.4
107.08588	0.8
109.10175	2.2
115.05485	0.4
119.04943	0.4
121.02934	0.4
121.10197	0.3
123.11726	5.5
128.06166	0.3
129.06989	0.4
135.04376	0.4
135.11716	1.1
141.06985	1.2
143.08589	0.6
147.04405	1.8
149.02385	0.7
150.73763	0.3
151.03944	0.4
153.07031	0.7
157.06543	1.2
161.06003	0.4
163.03914	0.6
165.06985	0.8
166.07828	0.5
167.03429	0.4
167.08627	0.6
169.10121	0.7
171.08080	0.4
175.03909	14.4
178.07758	2.1
179.08566	6.5
181.06444	0.5
182.07298	0.8
183.08049	0.9
189.05478	1.0
190.48477	0.3
193.04933	0.4
197.05943	0.3
197.09669	2.6
199.07610	2.1
201.05554	0.2
207.08054	3.2
210.06790	1.8
211.07553	2.6
215.06818	0.3
217.08780	0.3
223.07504	0.5
225.05710	0.4
225.09116	7.4
235.07567	6.5
236.08128	0.3
241.08600	1.6
249.08995	0.3
251.07138	0.7
253.08612	100.0
254.08961	2.4
267.10257	0.8
271.09717	1.3
313.07297	0.3
313.10550	1.3
319.13416	0.7
343.11722	0.5
375.08749	0.9
375.19562	37.6
376.19934	0.8
384.46219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15396	0.4
53.03950	0.4
57.08851	0.4
60.82918	0.4
65.03943	6.5
67.05491	0.6
69.03413	0.5
69.40519	3.4
73.81455	0.4
79.05479	0.8
81.03419	0.6
81.07052	0.4
85.02909	1.4
89.03914	0.6
90.80212	0.4
91.05493	0.6
92.05006	3.3
93.07051	1.3
94.06565	2.1
95.07343	1.5
95.08624	0.8
96.08139	3.0
97.02886	0.7
98.21480	0.6
98.34448	0.4
103.05489	1.1
108.08122	6.1
109.02873	0.8
110.09696	5.6
116.04981	3.0
120.04479	8.4
120.08101	3.4
122.06033	2.6
124.07573	1.5
127.03919	4.6
134.06044	0.5
136.07585	3.2
138.05458	0.7
138.09148	5.5
144.04469	4.7
146.06042	1.0
148.03937	100.0
149.04288	1.1
151.03949	0.4
154.08615	1.2
162.05530	3.4
166.03552	0.4
166.05006	14.0
166.08655	11.7
172.03940	16.2
174.05473	0.6
186.09134	0.5
190.05013	6.5
194.08266	0.5
198.11653	0.5
199.12404	0.6
204.06569	23.4
212.09500	1.0
225.10211	0.5
226.10794	0.4
227.11819	1.8
243.11348	0.7
255.08633	0.9
255.11305	13.4
273.12354	8.7
283.10773	12.0
301.11844	74.0
302.12222	2.3
319.12842	2.0
325.11755	1.5
339.13553	0.5
343.09647	0.4
343.12894	10.5
375.15054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.5
57.39657	0.5
67.05505	0.7
69.28083	5.6
81.79863	0.6
91.05482	3.3
95.04988	5.0
95.18656	0.6
96.66764	0.5
98.20768	1.2
107.56247	0.5
108.02105	0.7
112.71731	0.6
114.99799	0.7
121.06517	1.7
123.04444	0.9
136.05190	1.7
148.05191	2.0
151.03915	26.6
151.07539	11.0
161.05925	0.9
163.03992	1.2
175.03912	1.5
177.05415	0.7
179.07042	7.6
192.04181	1.2
207.06537	7.5
208.07335	0.7
211.07460	0.7
213.09137	0.9
225.09151	0.7
227.07086	0.8
239.06903	1.2
241.08554	1.4
253.08630	3.5
254.09438	1.1
255.06473	1.1
257.11737	1.8
265.04965	0.7
269.08115	9.3
270.08499	1.3
281.08096	2.3
282.08917	1.1
283.06036	2.5
284.06723	1.0
297.07581	9.6
298.08417	6.5
313.10706	100.0
314.11118	3.0
329.10202	1.9
357.09723	7.2
375.19443	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
56.96576	0.9
64.99019	0.4
65.03928	1.3
67.05503	1.1
69.07066	0.7
69.80617	2.2
81.07040	0.6
91.05493	5.6
93.07035	0.5
95.04973	6.4
105.07015	0.5
107.04972	0.8
108.02102	0.9
108.05686	0.6
121.06479	1.5
123.04431	0.7
136.05182	2.1
148.05188	2.6
151.03909	28.4
151.07545	11.2
161.05978	1.5
163.03906	1.9
167.03607	0.6
175.03915	1.2
179.07037	7.2
179.08502	0.7
191.03560	0.7
192.04124	0.8
207.06534	8.1
208.07185	0.8
209.05881	0.6
211.07529	0.7
213.09094	1.5
227.07104	0.8
236.09000	0.5
237.05618	0.6
239.07103	1.0
241.08531	1.2
252.07782	0.6
253.08662	5.1
254.09401	1.0
255.06543	1.2
257.11670	2.7
267.06610	0.9
269.08081	9.8
270.08694	1.7
281.08099	2.2
282.08878	1.2
283.06036	2.7
284.06677	0.9
285.11417	0.7
297.07568	10.6
298.08328	5.4
313.10693	100.0
314.11020	3.3
329.10242	2.2
357.09641	8.0
357.13684	0.8
375.11411	0.8
375.19614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.05481	0.7
56.96525	0.8
57.07026	1.3
57.45263	0.6
58.94637	0.6
65.03896	1.8
67.05451	2.4
69.07039	1.6
70.42906	1.4
71.08610	0.6
81.06998	2.7
87.70192	0.6
88.07603	1.1
91.05483	31.1
93.07012	1.7
95.04974	5.9
107.04937	0.9
107.08565	1.3
108.05717	0.9
109.10115	2.0
119.08526	0.7
121.06473	2.4
121.10138	0.8
123.11715	1.1
129.06927	1.0
135.04399	1.2
136.05161	2.2
137.05925	0.8
141.06938	1.2
147.04408	1.3
148.05127	2.8
150.11215	1.5
151.03905	30.1
151.07555	12.3
161.06024	1.1
162.03099	0.7
163.03854	1.7
163.10989	0.6
164.56346	0.7
165.06955	0.8
167.03435	1.4
175.03900	5.7
178.07846	0.8
179.06984	8.7
179.08546	2.6
179.91380	0.6
181.05043	0.8
181.06487	1.2
189.05551	1.4
191.03358	0.8
191.06973	0.8
197.05925	0.8
197.09581	1.0
199.07542	1.1
207.06528	7.6
207.08165	1.1
209.05981	0.6
211.07504	2.4
213.09093	1.5
223.07471	0.8
225.09071	2.7
227.07141	0.8
231.08511	0.7
235.07457	2.9
239.07069	1.1
241.08624	3.1
251.06938	1.1
253.08615	32.0
255.06564	0.9
257.11758	2.4
267.06433	1.0
267.10175	1.8
269.08066	9.2
270.08759	0.9
281.08105	2.6
282.08826	0.9
283.05975	2.2
284.06827	0.9
293.11707	0.9
295.13379	3.3
297.07602	11.5
298.08307	5.9
306.02295	0.7
313.10703	100.0
314.11099	2.6
315.15802	1.2
316.16788	1.5
319.13235	1.7
329.10126	1.6
333.17267	1.0
334.17761	3.2
357.09705	8.3
357.18829	1.0
370.74942	0.8
374.36334	3.4
375.19568	21.3
375.24338	1.1
375.36551	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	375.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
55.05502	1.8
62.21617	0.7
65.03951	2.7
67.05502	3.9
69.07083	3.5
70.30364	2.5
70.30721	0.7
71.01674	0.7
79.05502	2.3
81.07058	7.2
83.01341	1.4
91.05483	100.0
93.07040	2.1
95.04970	4.6
95.08605	2.5
98.77837	0.9
103.05434	1.0
105.03404	1.5
105.07030	7.1
107.08588	2.8
109.10175	5.4
111.00826	1.3
115.05466	1.1
117.07036	0.7
119.08532	0.9
121.06529	1.5
121.10123	1.9
123.04458	1.7
123.11739	8.6
129.07019	2.4
133.10100	1.7
135.11688	2.5
136.05200	0.9
137.06032	1.4
140.17860	0.9
141.06995	3.1
143.08556	1.2
145.10127	1.4
147.04416	2.6
148.05179	1.6
151.03911	19.1
151.07547	7.9
152.06213	2.0
153.06929	1.2
157.06512	1.4
159.04494	0.9
163.03886	2.5
165.06972	3.7
166.07809	1.6
167.03421	1.3
167.08539	4.6
171.08081	0.7
175.03914	12.9
176.06367	0.7
178.07791	2.5
179.07027	4.1
179.08577	7.3
180.09203	0.8
181.06479	1.7
182.07330	0.9
183.08003	1.0
187.03912	1.0
189.05476	1.3
193.04941	0.7
193.10147	1.3
195.08047	2.4
195.11729	1.0
197.05960	3.6
197.09659	2.3
199.07561	2.3
201.09207	1.6
202.09854	1.0
207.06390	3.9
207.08118	3.2
208.08890	1.3
210.06789	2.4
211.07538	2.7
213.09088	1.3
215.10605	0.7
223.07484	3.4
225.09109	7.4
235.07559	8.4
238.06137	0.9
241.08604	3.0
251.07036	23.8
253.08606	99.9
253.12090	3.0
254.09140	1.2
257.11758	1.2
267.06580	0.9
267.10138	1.2
269.08026	4.2
271.09744	2.5
277.08499	1.0
277.11975	0.8
281.08063	1.9
283.06107	0.9
291.10223	1.4
293.11725	1.2
293.15378	2.0
295.13300	1.3
295.16830	0.8
297.07535	6.6
298.08389	3.5
307.13171	1.6
313.10696	64.6
314.10980	2.2
319.13239	2.3
319.16684	1.1
329.10196	1.4
357.09677	4.1
375.19467	40.2
375.23196	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11731	0.5
53.03915	0.4
55.01880	0.4
65.03911	1.0
66.10072	0.4
67.05512	2.2
68.93286	0.4
68.99786	0.6
69.07064	0.7
69.29610	0.5
69.56796	3.2
79.05502	0.7
81.07058	2.4
91.05484	21.1
93.07037	0.7
95.04973	4.8
95.08621	0.5
105.07040	1.2
107.04960	1.0
107.08597	0.8
108.02110	1.0
108.05714	0.5
109.10156	1.0
111.98016	0.4
113.32179	0.5
119.04977	0.6
121.06500	1.6
121.10140	0.5
122.11488	0.5
123.04407	1.0
123.11690	2.1
135.04417	0.6
135.11681	0.5
136.05179	1.1
141.06943	0.8
143.08521	0.7
147.04390	0.5
148.05211	2.3
149.02342	0.6
151.03917	27.7
151.06445	0.8
151.07541	9.7
152.06245	0.9
153.07063	0.7
161.06009	0.9
162.03008	0.7
163.03932	1.2
165.06969	0.6
167.08585	1.3
169.10092	0.5
171.07863	0.4
175.03960	4.0
178.07983	0.6
179.07036	6.5
179.08565	1.7
181.04971	0.5
192.04190	0.8
195.08095	1.4
197.06007	1.4
199.07602	1.0
207.06523	6.9
207.08183	0.6
209.05934	0.5
211.07564	1.2
213.05515	0.6
213.08994	1.1
223.07545	2.0
224.08363	0.5
225.09143	1.3
235.07632	2.4
238.06203	0.6
239.07129	0.6
240.07735	0.6
241.08577	1.1
242.09135	0.6
251.07034	13.8
252.07666	0.7
253.08615	23.4
254.09239	1.0
255.06485	0.7
257.11771	2.4
267.06641	0.9
269.08112	7.7
270.08862	1.1
271.09570	0.9
281.08084	2.3
281.48178	0.5
282.08643	0.7
283.06027	2.7
284.06644	0.8
285.11142	0.5
291.10052	0.7
295.22040	0.5
297.07590	9.2
298.08319	4.7
313.10709	100.0
314.11084	2.9
319.13284	0.6
329.10144	1.7
357.09756	6.2
375.11285	0.5
375.19513	10.2
375.24728	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	375.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.2
67.05483	2.3
69.07065	1.1
70.68042	1.6
75.09129	0.6
79.05491	0.9
81.07040	2.0
91.05488	17.4
93.03408	0.6
93.07092	0.8
95.04967	5.8
95.05515	0.8
95.08611	0.9
105.06989	1.3
107.04923	1.1
108.02112	0.7
109.10136	1.5
121.06537	1.1
121.10184	0.7
123.04459	0.9
123.11721	1.8
131.08557	0.8
136.05196	1.0
139.07578	0.6
148.05185	2.5
149.02362	7.8
151.03915	28.0
151.07538	9.7
151.08673	1.1
158.88531	0.6
161.05971	1.8
163.03888	2.1
165.06868	0.8
167.03421	7.6
167.08589	1.6
175.03938	3.0
179.07077	7.3
179.08524	1.3
185.66383	0.6
192.04150	1.1
195.08029	1.0
197.06006	2.1
197.09547	0.7
199.07516	0.9
205.04907	0.7
207.04724	1.0
207.06499	6.4
207.08153	0.8
208.79321	0.6
209.06013	0.7
213.09155	1.3
223.07562	1.6
225.09154	1.7
226.06242	0.6
235.07532	2.4
239.07141	0.8
241.08524	1.0
251.07028	10.1
252.07777	0.7
253.08635	22.4
254.05797	0.6
254.09131	0.8
257.11749	2.1
267.06671	1.1
267.10056	0.7
269.08090	6.9
270.08862	1.4
281.08069	3.0
283.06015	2.3
297.07599	8.8
298.08356	5.7
313.10709	100.0
314.11121	3.4
319.13406	1.2
329.10202	2.5
357.09680	7.6
375.19547	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	375.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29519	0.8
62.26685	0.6
65.03931	1.0
67.05499	1.1
69.07063	0.9
70.08857	1.8
70.09254	1.1
70.23063	0.7
75.63370	0.6
81.07057	1.6
91.05486	12.1
93.07024	1.7
95.04961	5.4
95.08614	0.9
105.07045	0.9
107.04972	1.0
121.06528	1.3
123.11733	1.0
136.05208	1.7
148.05211	1.5
151.03917	25.2
151.07539	10.3
161.05974	1.5
167.08604	0.9
175.03958	3.3
178.98369	0.7
179.07007	6.8
179.08429	1.1
192.04198	1.2
193.04964	0.7
199.07622	0.9
207.06525	7.0
211.07501	1.6
213.09367	0.9
223.07533	0.9
225.09178	1.6
227.07173	0.8
229.08632	0.7
235.07607	1.5
241.08632	0.7
251.07059	5.0
253.08606	12.7
254.09219	0.9
255.06567	1.2
257.11728	2.4
267.06677	1.7
269.08054	10.1
270.08783	0.9
281.08185	3.3
283.05936	2.1
297.07544	9.7
298.08319	5.5
313.10709	100.0
314.11041	2.6
329.10358	1.7
357.09738	7.8
374.36209	2.0
375.15533	1.3
375.19836	4.9
375.36676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16761	0.6
55.05470	1.0
57.07041	1.1
65.03893	1.6
67.05447	1.8
69.06993	2.2
70.06547	1.3
71.57661	1.0
71.58028	0.8
78.54151	0.7
79.05457	1.3
81.06974	2.8
88.07596	1.4
91.05484	33.5
91.05997	1.6
93.06985	1.4
95.04974	5.9
95.08546	1.2
102.09095	1.9
103.05403	0.7
107.04908	0.9
107.08543	1.5
109.10071	1.3
121.06435	1.6
123.11624	2.9
129.06949	0.7
131.72528	0.6
135.11627	1.1
136.05112	2.0
138.14706	0.6
141.06964	0.8
147.04326	0.7
148.05127	2.4
151.03914	24.4
151.07553	8.4
161.05898	2.2
163.03905	1.7
165.06900	0.7
167.08540	1.0
175.03856	5.7
177.05463	1.0
178.02704	0.7
178.07764	1.1
179.06950	7.3
179.08540	2.7
181.06372	0.8
183.08015	0.8
185.05972	0.8
189.05428	1.4
192.04202	0.8
197.09676	0.9
199.07443	1.5
203.06953	0.9
205.04851	0.9
207.06447	6.7
211.07529	1.5
213.05551	3.6
213.09062	1.6
225.09074	2.8
227.07062	1.2
235.07498	1.8
239.07108	0.8
241.08595	1.7
251.07043	1.6
253.08621	34.4
254.09261	1.4
255.06564	1.4
257.11774	2.2
263.10635	0.8
267.06393	0.9
267.10123	1.3
269.08087	10.2
270.08902	1.4
277.08539	2.7
281.08075	2.6
282.08936	1.3
283.06079	1.9
284.06799	1.1
285.11130	0.8
291.10269	4.5
293.11661	0.9
297.07635	8.8
298.08331	5.3
307.13562	1.0
312.32678	2.6
313.10699	100.0
313.32944	1.7
314.11154	2.2
319.13153	1.5
329.10104	1.6
357.09818	7.8
374.36307	5.4
375.19586	25.9
375.24393	1.0
375.36755	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	375.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
57.07077	0.5
63.62713	0.5
65.03951	2.4
67.05488	1.2
67.86864	0.4
69.07067	0.7
70.06584	1.5
71.08617	0.7
71.18561	0.4
79.05481	0.9
81.07053	1.8
88.07606	2.2
91.05482	14.6
93.07033	1.5
95.04977	5.6
95.08568	1.0
100.21968	0.4
101.73508	0.5
102.09180	1.2
105.07045	0.7
107.04982	1.0
107.08589	0.7
108.02119	0.9
109.02878	0.7
109.10155	1.3
119.08616	0.7
120.57617	0.6
121.02898	0.7
121.06519	2.4
121.10126	0.6
122.65837	0.5
123.04419	0.9
123.11709	1.0
131.01282	0.9
131.04916	1.1
135.04407	0.6
136.05203	1.4
137.05975	0.6
141.05571	0.5
141.06998	0.5
147.11591	0.4
148.05203	2.0
149.01137	0.8
149.02347	16.4
149.05988	0.6
151.03911	28.7
151.07535	10.0
153.05574	0.5
155.03529	0.5
157.06516	0.5
161.05933	1.2
162.03035	0.5
163.03879	2.5
167.03410	18.7
169.05049	0.6
175.03941	2.5
177.05490	4.0
178.07906	0.4
179.07060	7.0
179.08505	1.1
181.04916	0.6
181.06461	0.7
189.05466	1.6
191.03384	0.8
192.04202	1.0
199.07590	0.5
205.04964	5.5
207.06509	7.3
211.07585	1.3
213.09138	1.4
215.07010	0.7
225.09163	1.2
227.06969	1.3
235.07642	0.9
239.07057	0.7
241.08583	1.5
241.46983	0.5
251.07040	2.6
252.07832	0.8
253.08612	24.9
254.09541	0.6
255.06583	1.4
257.11856	2.9
267.06512	1.2
267.10181	0.7
269.08105	7.8
270.08755	1.6
280.07254	0.8
281.08115	3.1
282.08826	0.7
283.06113	2.3
284.06909	0.9
285.11273	0.5
293.11652	2.6
295.13260	0.5
297.07584	10.8
298.08392	6.3
311.12582	0.5
312.32654	2.0
313.10693	100.0
313.32849	1.6
314.11053	3.0
319.13272	0.7
329.10117	1.7
357.09683	8.0
359.09570	0.5
374.36194	6.3
375.19632	7.8
375.36655	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	375.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57087	0.4
64.34988	0.4
65.03923	1.1
67.71078	0.4
69.64021	2.2
69.64503	0.4
91.05482	0.9
93.93708	0.4
95.04974	5.2
98.20814	0.9
100.59996	0.4
107.04919	0.8
108.02095	1.0
108.05764	0.4
121.06489	0.9
123.04475	0.6
135.04387	0.4
136.05176	1.9
137.05894	0.4
139.07587	0.4
148.05215	2.0
151.03914	30.1
151.07549	10.1
161.05978	0.7
162.03059	0.6
163.03903	1.6
164.04643	0.5
175.03900	0.8
177.05515	0.5
179.07031	7.5
181.06573	0.5
192.04163	1.2
207.06544	5.5
211.07524	1.0
213.09148	1.1
222.06610	0.5
226.06381	0.5
226.09972	0.6
227.06967	0.6
239.06978	0.7
241.08675	1.1
251.07115	0.5
253.08559	0.9
254.05737	0.6
254.09401	1.0
255.06520	1.0
257.11728	3.0
267.06528	0.7
269.08115	8.8
270.08759	1.8
281.08176	2.5
282.08725	0.5
283.06113	1.9
284.06808	0.6
285.11185	0.7
297.07559	10.5
298.08362	6.4
313.10703	100.0
314.10986	4.5
329.10260	2.0
357.09653	8.1
387.15173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1076
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
56.96573	0.7
57.03435	1.0
65.03970	0.5
66.56429	0.4
69.03422	0.6
71.55833	0.6
71.56172	0.5
81.36890	0.5
81.49357	0.5
91.05492	2.4
100.17877	0.4
106.04214	0.5
118.04118	0.5
121.10190	0.4
125.02332	1.9
125.05990	0.5
135.04411	1.1
137.05960	1.1
138.03142	0.5
146.03673	0.8
149.02364	0.7
149.05980	1.4
151.03899	1.0
153.05478	1.2
163.03923	3.5
164.04672	1.8
167.03421	13.8
174.03134	0.6
177.01823	1.1
177.05544	1.0
179.03413	2.5
189.05463	1.3
191.03398	0.8
192.04189	1.6
193.04955	1.3
194.05734	1.8
201.05415	1.3
203.06950	0.6
205.04980	2.9
213.05525	0.7
217.05029	0.6
220.03694	3.6
221.04451	0.6
223.02339	2.6
227.07036	2.0
229.04991	4.7
230.05763	0.8
231.06543	0.9
232.03595	0.5
233.08247	1.1
237.04008	1.0
241.05052	1.1
242.05675	0.6
243.06564	3.3
244.07336	0.6
245.04517	1.3
246.05313	0.8
253.08644	1.2
255.06531	2.3
256.07333	0.8
257.04480	4.6
257.08154	1.7
259.02109	0.5
259.07114	0.5
259.09552	2.2
261.07568	4.1
267.03226	0.6
268.03571	0.8
269.04468	1.2
271.05966	2.4
272.06790	1.5
273.07574	1.3
274.04761	0.6
282.05328	0.6
283.06082	1.2
284.06863	1.0
285.03900	3.8
285.06848	0.5
286.08472	1.2
287.09146	4.9
289.07053	3.4
297.03870	1.0
299.05505	5.8
300.06323	2.5
301.07233	0.6
309.07983	0.7
311.05511	1.7
312.06195	1.3
313.03357	5.2
313.10797	1.1
314.04172	3.2
314.08041	1.4
315.05127	0.9
315.08661	12.7
317.06589	16.1
327.05014	0.9
328.05917	2.0
329.06610	8.4
342.07428	0.8
343.08203	2.6
345.06067	26.9
346.06528	1.1
359.07275	0.6
360.08450	8.4
375.10767	100.0
376.11188	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36977	0.2
53.03938	0.9
54.03838	0.2
55.01868	0.8
57.03435	0.6
57.49618	0.3
61.02922	0.5
68.99799	0.3
69.03427	2.7
69.07088	0.2
71.04996	0.5
71.31134	0.4
71.35326	0.2
73.02924	0.7
73.60383	0.2
81.03423	3.2
84.73117	0.2
85.02909	4.5
86.09725	0.3
87.00832	1.9
89.19571	0.2
95.93346	0.2
97.02896	1.8
99.04461	1.2
103.16109	0.2
105.01884	1.2
108.16895	0.3
109.02885	2.4
117.01867	0.3
119.08588	0.4
127.03924	100.0
128.04262	0.8
137.05995	0.2
145.04987	1.4
159.02869	1.7
177.09151	0.2
193.32971	0.2
195.10202	0.4
213.11215	1.6
231.05029	0.8
252.49055	0.2
331.13788	0.3
375.12662	0.9
375.16464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21791	0.4
55.01855	0.5
56.96545	0.4
69.58612	1.0
69.59021	1.3
71.08655	0.4
71.11909	0.4
83.01344	1.4
91.05478	0.7
95.04987	0.6
95.05997	0.4
98.21429	0.7
117.99670	0.4
128.06187	0.4
132.05688	0.4
137.05989	0.5
151.03922	2.7
161.02362	0.6
161.05969	0.7
161.41042	0.4
165.05434	0.7
167.07094	0.5
168.04195	0.5
171.08064	0.7
173.02431	0.9
176.04729	0.5
177.05482	1.1
179.03418	0.9
179.91104	0.4
181.04976	0.6
183.02950	0.4
184.05197	3.9
185.05876	0.5
191.07118	0.7
192.07790	1.0
193.04898	0.5
195.97427	0.4
199.07516	2.0
200.04701	1.3
201.05544	0.7
212.04735	3.7
214.06252	0.5
215.07062	1.2
221.02913	0.6
224.04626	0.6
225.01936	0.4
227.07036	6.4
228.07388	0.4
230.84338	0.4
239.07062	1.1
240.04172	7.5
255.06522	6.4
258.05368	0.7
268.03665	13.0
269.04199	0.7
269.08221	0.5
272.06821	0.5
280.57837	0.7
283.06015	9.5
296.03128	1.9
311.05508	100.0
312.05823	2.2
313.10864	2.3
315.08743	1.6
329.10446	0.5
343.08170	3.7
343.11893	0.6
354.05994	0.5
354.10126	1.0
355.59378	0.5
357.09555	0.6
363.10529	2.1
363.60840	2.1
364.11234	0.5
372.11331	0.5
372.61429	0.9
375.10983	0.7
375.18964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.1
53.03949	0.9
55.01865	0.6
57.03439	0.5
58.59084	0.2
61.02925	0.5
66.65753	0.1
67.05511	0.2
67.34206	0.2
68.99783	0.3
69.03441	2.5
71.04998	0.4
71.06164	0.2
71.06498	0.2
72.08153	0.2
73.02924	0.7
75.96199	0.2
81.03426	2.9
85.02911	4.6
86.09704	0.4
87.00838	1.9
91.03947	0.2
91.05487	0.5
93.07043	0.2
97.02901	1.6
98.97582	0.2
99.04469	0.9
99.05019	0.2
105.01883	1.2
105.07034	0.3
107.08598	0.6
109.02889	2.6
115.03944	0.2
117.01856	0.4
119.08587	1.1
121.10149	0.3
127.03927	100.0
128.04266	0.6
129.01840	0.3
131.08615	0.3
133.10214	0.2
141.10318	0.2
145.04910	1.0
147.02925	0.2
147.08063	0.2
149.09612	0.4
159.02913	1.8
165.09123	0.3
167.10645	0.2
177.09128	0.4
193.53607	0.1
195.10170	0.5
211.12708	0.1
213.11253	3.8
213.13306	0.2
231.05026	0.5
273.25867	0.2
275.09354	0.2
283.58908	0.1
304.85245	0.1
331.13586	0.5
346.79788	0.2
375.12433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	27.3
57.07076	1.6
71.16608	1.6
71.95273	5.3
72.96043	1.2
73.54478	1.0
73.56514	0.9
76.16716	0.9
84.96036	2.6
88.07633	0.9
91.05473	2.2
97.96812	2.6
98.97577	1.1
105.00130	1.4
107.27377	0.9
110.97571	14.5
115.97840	2.4
123.01189	1.6
128.98618	15.8
132.10178	2.0
137.02731	1.7
143.00163	1.8
146.99657	6.6
150.11295	1.8
151.03976	3.4
151.07570	1.0
161.01180	1.7
171.03300	1.9
175.02795	1.6
185.04771	1.4
189.04385	2.2
201.21515	0.9
205.26300	0.9
207.06552	1.7
208.06235	1.1
213.07742	0.9
240.10233	0.9
241.11081	1.8
241.57251	1.0
252.10225	1.1
253.08702	1.9
259.12140	1.3
263.09598	6.2
264.10309	1.1
269.07956	1.3
270.11414	1.1
285.11737	1.3
303.12708	1.9
313.10748	9.7
313.14569	1.9
315.16324	50.4
316.16718	1.4
331.15753	2.4
333.17377	100.0
334.17719	3.4
347.19110	1.2
351.18433	30.0
351.22766	1.9
356.18915	12.5
374.19745	2.3
374.36282	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	374.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09295	4.0
50.37749	3.7
51.80964	4.0
59.51174	3.6
66.01010	4.0
71.57814	5.6
85.02892	13.1
94.06591	4.2
97.02892	6.6
103.05468	10.6
105.07010	5.8
107.04959	10.6
109.02939	3.9
110.05986	4.6
118.06535	4.8
122.06032	17.9
127.03849	7.0
135.08051	9.4
139.03917	7.5
140.06995	3.9
154.06265	44.3
163.07538	35.3
180.07860	8.2
195.10179	100.0
249.57030	8.9
266.59326	8.1
279.58286	16.6
288.58597	13.4
289.08704	6.1
335.12198	6.1
345.73550	6.1
374.14734	6.2
375.19815	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	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01871	3.4
57.03429	2.8
61.02934	2.9
65.03934	2.0
69.03442	13.5
69.49628	8.2
69.49982	1.3
71.01340	1.0
71.04987	1.6
73.02927	3.3
81.03416	10.7
85.02906	41.8
86.09714	4.4
87.00832	20.9
91.05484	100.0
97.02895	17.6
99.04459	5.6
103.03962	1.3
105.01871	26.0
105.07020	1.3
108.04478	1.9
109.02886	11.8
117.07065	1.3
125.09645	1.7
127.03916	32.1
129.01881	1.7
129.07004	2.3
137.05943	1.3
145.04973	13.1
145.06085	1.7
145.06467	1.4
147.02885	1.6
151.03888	1.3
157.06479	1.3
159.02924	6.7
175.07582	1.2
184.00313	1.2
189.04010	2.3
189.70232	1.2
195.06491	1.2
213.04028	1.3
215.13980	1.4
217.08667	1.8
231.05029	9.5
248.07713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.7
56.05037	0.4
57.03427	0.6
61.02916	1.2
62.94262	0.4
67.05515	0.5
69.03433	3.1
69.07065	0.8
70.06589	1.1
70.81522	1.0
71.04988	0.4
72.08134	0.4
73.02965	0.4
76.35821	0.4
79.05502	0.5
81.03410	1.3
81.07051	0.4
84.04542	0.7
84.08118	0.4
85.02910	8.2
86.09706	4.5
91.03945	0.8
91.05490	2.6
94.04170	0.4
95.05004	0.6
97.02910	3.2
99.04502	0.6
102.05567	0.7
105.01831	0.5
109.02905	0.8
122.03676	2.6
122.05997	0.5
124.07611	1.3
127.03958	2.5
132.10211	0.6
137.05989	100.0
138.06334	1.5
145.05026	2.3
152.07097	1.0
170.08110	1.1
177.05502	0.6
180.08696	0.5
182.39911	0.4
194.82500	0.4
195.10184	3.7
198.07632	2.0
199.18005	0.6
211.22311	0.4
212.09218	3.5
212.12811	1.6
215.14009	0.5
225.12561	0.4
298.08722	0.5
316.15182	0.5
374.18863	2.1
374.22787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
56.96560	1.6
57.03423	1.7
61.02919	2.9
62.74417	1.0
69.03434	6.4
69.07065	0.9
70.06581	1.8
70.84940	1.6
71.04984	1.9
72.08129	1.0
73.02910	1.0
81.03410	3.3
81.07051	2.0
82.06587	1.0
83.04946	0.9
84.08127	1.5
84.46787	0.9
85.02908	16.8
86.09703	1.8
87.04493	1.1
88.03991	2.3
89.03907	5.7
91.03970	0.9
91.05495	2.0
93.07023	2.4
95.04953	3.3
95.08595	1.0
97.02915	5.6
98.97578	3.5
99.04463	1.7
105.07035	1.1
107.08595	1.3
109.02879	2.4
109.10167	2.0
109.71271	0.8
116.98606	1.0
117.02608	1.2
117.03384	15.8
119.04939	0.9
119.08543	1.6
121.10138	0.9
122.02702	1.0
124.07607	1.2
127.03903	4.4
128.98615	1.5
131.82050	0.8
133.10133	2.1
134.03603	2.6
134.70200	0.9
135.04364	1.4
137.05917	1.4
137.09592	1.3
145.02847	41.2
145.04938	4.0
145.06442	2.1
146.03275	1.1
149.05969	6.6
152.07024	0.9
153.05476	1.2
158.05989	1.3
158.99548	1.0
162.03081	1.1
163.03883	3.4
167.07068	1.0
168.06476	1.1
177.05481	100.0
178.05994	1.3
180.08630	1.2
191.07033	1.3
195.06537	47.1
197.96443	0.9
205.08568	2.0
209.15390	1.1
212.03818	1.0
212.12701	1.4
217.15976	1.1
233.08128	2.2
237.02690	0.9
249.08620	0.9
251.09242	1.4
272.31143	0.8
275.64429	0.7
279.08694	4.5
323.49533	0.9
356.19223	0.9
358.08145	3.2
374.14584	1.3
374.18622	11.7
375.19910	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.4
57.03434	2.9
59.04992	1.2
61.02920	4.3
67.05510	8.9
69.03432	12.1
69.07063	4.3
69.32437	4.7
69.32858	6.6
71.05000	7.5
71.72641	1.3
73.02928	1.6
79.05477	2.8
81.03413	4.8
81.07069	9.7
83.04990	3.4
83.08635	4.2
85.02910	32.7
85.06538	4.2
88.01508	1.4
91.05457	2.5
93.07054	15.3
93.72680	1.2
95.04971	12.7
95.08619	24.7
97.02897	9.2
97.06517	2.2
98.20807	3.0
99.04457	10.2
99.08099	100.0
105.07030	3.7
107.08570	8.0
109.02879	4.3
109.06493	3.6
109.10165	28.8
111.08085	2.1
111.47023	1.4
119.08590	6.3
120.62790	1.2
121.10163	8.6
123.08045	2.2
123.11702	8.0
125.09618	4.6
127.03915	8.4
127.07608	1.9
133.10117	4.9
135.11694	16.1
137.09625	10.5
145.04947	6.6
149.13261	1.6
153.12512	1.2
155.10680	31.9
165.16406	4.4
175.14871	8.4
177.05417	1.9
193.15877	24.5
211.16942	93.6
212.17326	2.5
344.39450	1.3
373.22119	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
55.01870	0.6
56.96559	1.0
57.03442	3.9
69.03441	1.8
70.06589	1.1
70.09178	2.0
71.01359	3.5
72.08167	0.5
73.02917	5.5
75.04475	0.5
78.03447	5.1
78.03843	0.5
79.04265	0.5
80.05025	3.5
81.03423	0.6
83.01354	1.0
83.06126	0.5
84.04507	1.2
84.08162	0.9
85.02910	11.3
86.09712	1.0
87.04473	1.7
95.01341	5.7
96.04491	1.9
97.02915	2.3
98.97571	2.3
99.00826	1.5
101.02393	1.7
103.03968	1.2
106.02923	19.4
109.02869	0.6
113.02377	5.3
115.03946	0.5
116.98663	0.6
124.03963	100.0
126.05497	2.5
127.03944	2.7
129.10114	0.6
131.03413	1.9
141.01849	10.3
145.05002	0.6
158.99724	0.7
159.02867	2.4
180.06554	15.5
198.07629	81.2
199.07915	0.8
210.11203	0.6
211.11668	0.5
212.06253	1.3
212.09203	4.5
219.01721	0.8
233.92938	0.5
237.02693	0.6
356.09848	0.5
374.10663	6.0
374.14383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.05520	2.3
56.05049	1.8
57.03426	2.6
59.85524	1.4
65.03947	2.9
67.05510	2.2
69.03432	21.0
69.07051	2.0
70.06601	3.7
71.04996	4.4
71.57563	2.5
72.08153	3.7
79.05486	2.1
81.03428	16.2
81.07045	2.7
83.01318	1.4
83.04988	3.6
84.04512	3.6
84.08154	6.4
85.02908	23.0
85.06568	1.4
86.09715	14.7
87.00834	12.5
87.04499	2.1
87.10048	1.5
91.05486	100.0
93.07078	2.4
95.04971	2.2
95.08610	3.1
97.02897	33.5
97.06525	1.4
98.97584	2.2
99.04462	11.0
102.05571	7.4
105.01868	12.2
105.07029	1.6
107.04923	1.6
107.08612	2.7
109.02868	4.4
109.06510	2.1
109.10134	1.9
110.51159	1.3
111.08176	1.5
115.03967	1.5
116.07096	1.9
119.08547	2.0
120.08051	1.4
121.06524	2.0
123.04473	1.8
124.07601	4.6
125.09605	3.1
127.03930	41.4
130.06554	1.5
132.10229	3.3
136.07561	1.8
137.05992	10.5
138.09128	3.2
141.05583	1.4
144.08073	1.4
145.02930	1.6
145.04973	24.5
149.05954	1.4
156.86720	1.3
165.05400	1.6
166.08600	2.6
167.07054	1.7
174.11308	1.9
177.05589	1.6
185.82895	1.4
202.05745	1.4
206.13802	1.5
212.12839	4.4
215.13951	1.8
224.13037	1.6
225.47682	1.4
231.05013	21.0
231.11252	1.5
249.06075	5.7
256.66489	1.4
283.07242	2.5
349.85156	1.4
356.24457	1.3
370.40750	1.6
374.18176	12.1
375.19876	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	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.5
57.03418	0.9
59.14853	0.4
61.02913	0.8
63.43348	0.5
65.03915	1.4
67.05511	0.6
69.03421	2.2
70.06583	0.6
70.23479	1.6
71.04990	0.6
72.08147	0.6
73.02899	0.7
75.59560	0.4
79.05514	0.7
81.03427	1.3
81.07023	0.5
85.02901	5.0
86.09721	1.1
91.05490	0.7
92.05008	13.8
93.05793	2.3
94.06567	1.2
97.02879	2.3
97.06537	0.5
102.05535	0.6
106.74510	0.4
108.04493	1.2
108.83070	0.5
109.02831	0.7
109.05276	2.4
109.06555	0.5
110.06051	1.2
119.03663	0.8
122.06033	1.1
123.06817	4.9
124.07608	7.0
127.03938	1.6
137.04749	4.2
137.05980	17.5
145.04965	0.9
152.07074	21.6
170.08136	24.4
173.04279	0.6
180.06552	0.6
194.08180	1.7
195.10175	0.6
198.07628	48.0
199.07964	1.0
212.09189	100.0
213.09474	1.8
232.84494	0.4
354.64789	0.5
374.14462	1.0
374.18515	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	373.2223
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.05515	7.4
57.03434	2.9
59.04992	1.2
61.02920	4.3
67.05510	8.9
69.03432	12.1
69.07063	4.3
69.32437	4.7
69.32858	6.6
71.05000	7.5
71.72641	1.3
73.02928	1.6
79.05477	2.8
81.03413	4.8
81.07069	9.7
83.04990	3.4
83.08635	4.2
85.02910	32.7
85.06538	4.2
88.01508	1.4
91.05457	2.5
93.07054	15.3
93.72680	1.2
95.04971	12.7
95.08619	24.7
97.02897	9.2
97.06517	2.2
98.20807	3.0
99.04457	10.2
99.08099	100.0
105.07030	3.7
107.08570	8.0
109.02879	4.3
109.06493	3.6
109.10165	28.8
111.08085	2.1
111.47023	1.4
119.08590	6.3
120.62790	1.2
121.10163	8.6
123.08045	2.2
123.11702	8.0
125.09618	4.6
127.03915	8.4
127.07608	1.9
133.10117	4.9
135.11694	16.1
137.09625	10.5
145.04947	6.6
149.13261	1.6
153.12512	1.2
155.10680	31.9
165.16406	4.4
175.14871	8.4
177.05417	1.9
193.15877	24.5
211.16942	93.6
212.17326	2.5
344.39450	1.3
373.22119	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2223
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
52.76170	1.0
53.03944	1.9
54.02461	1.2
55.01880	2.0
55.05506	6.9
56.96568	1.6
57.03432	2.5
57.07071	2.1
59.05002	2.1
61.02925	4.2
65.03977	1.0
67.05508	9.5
69.03434	16.1
69.07068	3.4
69.24825	8.6
70.06583	6.9
71.04998	8.3
72.08178	5.2
73.02937	2.3
79.05501	5.4
81.03426	7.3
81.07061	9.5
83.01341	1.2
83.04982	4.2
83.08627	4.2
84.08142	4.5
85.02908	31.8
85.06543	4.5
86.09708	14.0
86.15765	1.0
91.03951	1.0
91.05494	3.1
93.07048	15.2
95.04978	12.2
95.08614	18.4
97.02896	10.6
97.06557	1.4
98.97587	3.8
99.04472	9.4
99.08097	100.0
101.06007	1.3
105.07024	5.0
106.02934	5.1
107.04984	1.8
107.08599	12.6
109.02876	4.9
109.06519	5.4
109.10160	28.4
111.04493	1.6
111.08124	1.4
113.06034	1.0
113.09664	2.5
115.03949	1.6
116.07100	3.9
119.08599	9.9
120.08114	1.2
121.06520	1.7
121.10140	5.2
123.04488	2.1
123.08069	2.6
123.11708	3.0
124.03970	9.1
124.07545	1.3
125.09624	4.8
127.03906	8.1
129.10274	1.8
131.08585	1.3
133.10172	7.7
135.08105	1.1
135.11703	19.9
137.05952	7.7
137.09645	12.3
143.11751	1.8
145.02852	2.1
145.04962	4.8
149.13271	1.6
151.11205	1.9
151.14799	2.0
152.05717	1.8
155.10681	19.3
161.06061	1.2
163.07550	1.2
165.16391	1.5
167.07013	1.6
175.14816	12.8
177.05486	6.2
177.16380	1.2
178.70665	1.0
179.07231	1.1
193.05025	1.4
193.15892	27.8
195.06587	1.8
203.14034	1.2
211.16942	44.9
212.09216	1.6
250.07277	1.7
253.08453	1.1
268.08228	3.5
308.05338	1.1
329.12201	5.6
373.10147	7.1
373.14905	14.5
373.22345	2.9
374.11011	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1837
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
55.05502	0.7
57.03411	0.5
67.05487	0.9
69.03426	1.1
69.07077	0.6
71.05016	0.5
71.58492	0.6
72.08140	0.7
79.05492	0.6
81.03410	0.8
81.07054	0.9
84.08146	0.9
85.02910	1.5
86.09711	2.5
90.19906	0.4
91.05457	0.9
93.07026	1.1
95.04966	0.9
95.08588	0.9
99.08076	1.6
105.03392	0.6
105.07015	0.9
107.08612	0.6
109.10144	1.1
118.06556	0.5
120.08078	0.5
121.06564	0.6
121.10146	0.5
123.08041	0.4
124.07597	1.7
125.05927	0.4
133.10133	0.5
137.05963	1.8
149.05957	0.5
167.07144	0.5
167.10495	0.4
172.03841	0.6
177.05443	0.8
185.12698	0.4
193.12386	0.4
193.15947	0.8
201.05615	0.4
204.06561	1.7
211.13002	1.0
211.16878	0.7
212.12813	1.2
319.18521	0.5
373.18353	100.0
374.18832	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	373.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
57.03411	0.5
67.05487	0.9
69.03426	1.1
69.07077	0.6
71.05016	0.5
71.58492	0.6
72.08140	0.7
79.05492	0.6
81.03410	0.8
81.07054	0.9
84.08146	0.9
85.02910	1.5
86.09711	2.5
90.19906	0.4
91.05457	0.9
93.07026	1.1
95.04966	0.9
95.08588	0.9
99.08076	1.6
105.03392	0.6
105.07015	0.9
107.08612	0.6
109.10144	1.1
118.06556	0.5
120.08078	0.5
121.06564	0.6
121.10146	0.5
123.08041	0.4
124.07597	1.7
125.05927	0.4
133.10133	0.5
137.05963	1.8
149.05957	0.5
167.07144	0.5
167.10495	0.4
172.03841	0.6
177.05443	0.8
185.12698	0.4
193.12386	0.4
193.15947	0.8
201.05615	0.4
204.06561	1.7
211.13002	1.0
211.16878	0.7
212.12813	1.2
319.18521	0.5
373.18353	100.0
374.18832	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	373.1763
Annotation	GS-2
Peak:m/z	Relative Intensity
55.05503	1.2
56.96559	2.2
57.03439	0.7
65.03934	1.0
67.05499	2.2
69.03439	1.3
69.07071	2.7
73.02943	0.7
79.05495	2.4
81.03404	1.2
81.07056	3.0
83.04958	0.8
85.02907	0.7
85.06508	0.5
89.03926	1.7
91.05480	2.9
92.77147	0.5
93.07033	2.2
94.45340	0.6
95.04955	2.1
95.08616	2.6
97.02856	0.7
97.06487	0.7
98.11822	0.5
98.97575	2.1
105.07045	3.0
107.07327	2.1
107.08593	1.5
108.08122	1.0
109.02895	0.6
109.06506	0.8
109.10180	2.8
116.04985	8.2
117.07027	0.8
119.08590	1.8
120.04505	0.9
121.10130	2.2
122.03577	0.7
122.09666	2.8
123.04431	0.5
123.11700	0.6
131.00179	0.7
131.08563	1.1
132.04471	0.6
133.06421	0.6
133.10172	1.0
135.04414	1.0
135.06836	0.8
135.11682	0.9
137.05995	3.1
137.09665	0.7
139.82036	0.5
140.23862	0.6
143.08542	0.8
144.04448	17.4
145.05060	0.5
145.10080	1.2
147.03149	0.7
147.11542	0.6
148.05272	0.6
149.01280	1.3
149.09595	0.5
150.09158	16.2
151.03915	4.1
155.14500	0.5
157.10199	0.5
159.11710	0.9
161.05957	0.8
162.05511	5.8
163.03917	2.3
165.05515	0.5
165.09081	0.7
167.07156	0.6
171.08072	0.6
172.03941	60.1
176.07062	1.1
177.00743	0.8
179.08539	0.6
181.06537	0.5
197.06055	1.2
203.07072	1.0
204.06567	100.0
205.04919	1.0
205.06772	1.2
207.08069	0.7
211.09859	0.6
220.60437	0.7
235.07419	3.1
251.07053	3.4
257.12619	0.7
267.60095	0.5
268.07239	2.2
271.06027	0.7
284.67523	0.6
292.12476	3.1
292.62570	0.7
296.06827	2.0
309.12408	0.8
313.07190	1.1
313.10693	0.6
314.07837	1.8
329.10205	12.9
329.13898	1.1
334.43958	0.6
341.10669	1.4
341.14905	12.1
343.64316	0.6
373.08939	1.2
373.13229	1.2
373.17807	2.5
373.23285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	24.7
64.39106	16.6
66.73777	18.0
67.05512	29.6
69.07052	49.1
69.25238	78.8
69.25659	100.0
76.13836	17.5
79.05484	39.0
81.07048	49.7
91.05475	70.7
93.07043	64.0
95.08604	57.7
98.21509	39.6
101.77585	18.4
105.07045	85.0
107.08584	64.9
109.10165	64.8
117.07024	17.9
119.08582	22.4
121.10114	45.5
123.11729	24.1
131.08493	23.1
133.10117	24.0
135.08102	17.9
135.11670	26.0
137.05969	73.8
147.11667	24.0
175.14771	16.9
177.05476	37.1
191.10672	26.2
201.05466	21.2
201.16393	27.3
203.18117	18.4
205.04948	67.8
220.20605	17.7
251.07040	74.0
253.08714	27.2
263.16602	19.3
267.10129	63.4
279.10175	34.6
283.09653	78.0
309.14871	32.6
337.14355	21.7
355.15417	60.6
355.30115	24.4
373.17950	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.2
55.05512	5.7
56.96556	4.7
57.03428	3.5
67.05490	10.0
69.03420	4.5
69.04644	3.2
69.07056	10.6
71.57978	6.8
79.05486	7.2
81.03420	11.9
81.07060	17.8
85.02904	9.5
91.05470	20.2
93.07042	10.0
95.04974	7.0
95.08608	11.3
97.02909	5.0
97.06542	3.7
98.97585	6.9
103.05484	4.3
105.07029	11.7
107.08626	9.8
109.06538	4.3
109.10145	4.6
111.04453	3.9
119.08613	8.5
121.10158	3.5
123.04426	3.2
129.07034	5.6
131.08565	5.7
133.10168	5.3
137.05989	14.6
138.91768	4.3
141.05473	15.7
143.07031	7.9
143.08571	4.1
147.11693	7.3
149.09544	4.6
161.05957	8.3
162.03142	21.8
175.07484	4.7
177.05486	21.0
191.06964	5.7
191.08586	4.5
196.03735	11.4
203.07039	25.6
205.04965	59.6
223.68686	3.2
231.06496	8.5
233.07684	4.0
265.08609	7.0
267.09149	8.7
271.09705	4.3
281.07898	4.7
283.09702	100.0
284.09949	4.7
285.10114	6.6
299.09042	7.5
341.06561	7.1
355.11688	5.1
355.15466	6.0
358.06940	4.8
373.09097	60.5
373.13037	19.6
373.24054	3.5
391.80673	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	373.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.1
56.96561	14.3
59.05013	12.3
61.02937	6.1
66.29588	6.5
67.05497	8.1
69.03439	8.2
69.86272	21.6
69.86687	15.6
71.04980	5.7
77.46558	5.8
79.05505	14.4
81.03407	16.7
81.07037	7.9
85.02860	6.8
91.05486	36.3
95.08629	6.9
95.85193	7.4
97.02938	9.8
99.22875	6.5
103.05469	15.5
105.07036	82.5
106.43197	5.7
111.08084	7.6
112.20425	5.9
113.42572	5.7
131.05008	7.2
137.05954	9.7
142.59239	5.9
161.05988	12.3
173.05974	18.6
177.05481	19.9
189.05489	10.2
193.12236	8.1
201.05516	32.3
205.04926	35.1
211.13383	13.1
231.10263	15.1
237.09175	14.2
243.08882	13.3
249.08142	9.3
267.08954	59.8
267.15833	8.7
279.10257	49.5
281.08081	11.0
283.09631	22.7
285.10120	86.2
292.26443	6.3
297.11118	8.7
307.02502	6.2
309.14853	53.0
337.14273	28.3
355.11340	7.8
355.15448	100.0
360.41711	6.4
373.21927	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	373.1285
Annotation	5,6,2',3',4'-Pentamethoxyflavone
Peak:m/z	Relative Intensity
53.03948	0.3
53.96188	0.3
55.01871	0.4
55.05506	0.6
56.96569	0.7
65.03947	0.4
67.05505	1.0
69.03446	0.3
69.07051	0.8
70.65188	0.5
70.65545	0.8
79.05479	1.0
81.07048	1.4
87.04484	0.3
91.04960	0.4
91.05484	5.5
93.07039	0.9
95.04961	1.5
95.08609	0.5
97.06540	0.3
98.96995	0.3
98.97572	0.6
103.05436	1.1
103.96152	0.3
105.03399	0.3
105.04585	0.3
105.07021	1.7
107.04956	0.3
107.08612	1.7
108.05731	0.3
109.06563	0.5
109.10145	1.0
119.08576	0.8
121.02885	0.5
121.06516	19.7
121.10131	0.8
123.04456	0.5
123.08063	0.5
124.05096	0.3
126.06748	0.3
129.50154	0.3
131.04961	0.3
131.08493	0.4
133.06529	0.4
133.10127	1.1
134.03693	0.8
135.04381	0.9
135.08049	0.3
137.05978	1.2
139.07520	1.3
139.08510	0.4
141.06950	0.3
145.10162	0.6
149.05991	5.8
149.09622	0.3
151.03908	17.0
154.06274	0.6
157.10162	0.4
161.06024	0.9
162.03162	0.9
163.03922	0.4
165.06946	0.4
169.08615	14.9
175.03903	1.1
175.07533	0.3
177.05478	74.7
178.05801	1.3
178.07730	0.3
179.08539	0.9
181.08597	2.2
183.08057	0.3
189.05571	0.6
193.04976	0.4
197.09576	0.3
203.06990	1.7
205.04974	100.0
206.05441	2.3
207.08136	0.4
211.07561	0.4
223.05992	0.5
225.09111	2.2
231.06587	0.6
235.07567	0.5
239.07091	0.4
243.10187	0.5
251.07115	0.7
253.08624	5.6
259.09628	0.4
267.09988	0.9
271.09552	0.5
285.11057	0.6
289.10611	0.4
297.07407	0.6
299.09143	0.4
305.11612	0.4
311.05460	0.8
317.11752	0.3
327.08649	0.5
331.13330	2.8
355.08136	2.1
373.12759	11.4
373.17856	5.6
373.22867	0.4
374.13144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05264	0.5
55.05513	6.5
56.05027	0.4
57.07079	10.9
57.18925	0.2
59.28020	0.3
60.04528	16.8
60.19055	0.2
63.17944	0.3
65.03935	0.3
67.05177	0.3
67.05504	5.1
69.07072	9.8
69.86018	0.5
69.86433	1.0
70.06597	2.4
71.08224	0.3
71.08632	5.6
75.00027	0.9
78.01133	3.9
79.05486	1.1
81.07060	10.4
83.08619	5.5
84.04479	0.7
84.08143	1.4
85.10192	2.4
87.04438	0.8
89.01573	1.2
92.02669	0.7
95.08610	7.7
96.79655	0.3
97.10177	3.1
98.21177	0.8
98.40907	0.3
103.03138	0.7
106.04212	1.0
109.10161	3.1
111.11720	1.1
111.58968	0.3
117.04664	0.4
123.10934	0.3
123.11700	1.6
137.13231	0.5
146.09613	0.3
268.30014	8.1
294.31616	2.1
299.82065	0.3
310.31198	0.3
330.29230	16.9
331.29715	0.6
372.30286	100.0
373.30704	2.2
382.59567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22788	0.7
54.26962	0.7
55.01864	0.8
55.05507	1.1
56.96562	3.6
62.08610	0.6
63.02375	0.6
65.03928	2.1
67.05497	2.9
69.03413	0.8
69.07037	1.7
69.64265	4.3
79.05486	2.1
81.03390	0.7
81.07063	3.4
85.45853	0.6
87.04424	1.1
91.05483	8.2
93.07060	3.7
93.16418	0.6
95.04972	8.4
95.08593	2.6
103.05434	1.6
105.07061	4.5
107.04974	1.2
107.08599	5.0
108.02058	1.2
109.06516	2.0
109.10151	1.6
111.04446	0.7
117.07047	1.2
119.04929	1.0
119.08582	2.6
121.06510	5.0
121.10156	2.9
123.04424	1.5
123.11703	1.1
124.05215	2.1
125.06011	0.8
131.08592	1.5
133.06546	0.9
133.10127	2.7
134.07259	1.5
135.04407	2.3
135.08127	0.9
137.06018	3.8
139.07535	5.1
141.06981	0.8
145.10106	0.8
147.04457	0.8
147.08035	0.8
149.06026	2.0
149.09631	1.2
151.03908	100.0
151.11185	0.7
152.04221	1.0
159.11693	1.4
161.05995	1.8
161.13266	0.7
163.03894	0.9
165.09166	1.2
167.03471	0.8
167.07040	2.0
169.08626	1.4
175.03896	0.7
177.05467	19.1
179.08582	1.3
180.02533	0.9
183.08112	0.7
185.05994	1.2
186.02528	1.0
187.14807	0.8
189.05443	1.8
190.65852	0.7
191.03328	0.7
191.07129	1.3
193.05093	1.1
195.03197	1.0
195.06538	2.2
199.07727	0.7
203.07062	2.7
205.04977	22.6
206.05702	4.2
207.06528	1.1
211.07509	2.6
213.05429	1.0
217.04965	0.8
219.06537	1.3
223.05995	6.3
225.09114	4.6
227.06848	0.6
229.08632	1.4
231.06509	1.0
235.07680	0.8
239.06989	1.8
240.07634	1.2
243.10242	1.0
251.07007	1.1
253.05043	0.6
253.06079	1.0
253.08633	10.3
255.06563	0.8
256.07269	0.7
259.09723	0.8
267.06558	2.5
267.10266	1.7
269.04550	0.8
271.09726	3.6
282.05359	1.1
283.05984	1.9
284.06940	0.7
285.11301	1.3
287.12589	0.7
289.10886	1.6
291.06091	1.9
295.06070	1.7
296.06870	0.9
297.07581	9.7
298.04898	1.5
298.07831	1.5
299.09094	2.0
300.06409	1.0
303.13763	0.9
305.11731	0.9
311.05493	5.4
311.09113	2.4
312.06171	1.5
313.07245	1.2
326.04251	1.0
327.08701	5.7
331.08597	1.2
331.13263	5.7
341.06750	4.7
355.08163	19.2
355.14923	0.8
355.19171	0.9
358.58237	3.8
359.04422	1.3
364.08026	0.7
365.13763	0.8
371.04410	0.8
373.08902	5.9
373.13120	1.0
373.17996	9.2
373.23337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01869	1.1
56.96566	0.9
57.03429	1.7
61.02924	2.2
62.06087	0.5
69.03430	6.3
70.06580	0.8
70.90838	1.1
70.91197	0.5
71.04993	0.7
72.04507	1.2
72.08069	0.4
73.02916	2.2
74.44337	0.4
79.05534	0.6
81.03423	2.7
85.02908	15.1
91.03951	1.1
91.05479	2.0
95.68439	0.5
97.02896	5.4
97.06513	0.5
98.97566	1.6
99.04465	1.2
103.05463	2.9
105.07031	4.3
107.04946	1.4
109.02903	1.5
110.76845	0.5
110.97584	0.7
117.05676	0.6
117.07016	1.9
118.06544	2.1
119.07350	4.1
120.08108	4.9
124.07554	0.8
127.03930	2.8
128.06203	0.6
129.07010	3.1
131.04924	1.6
131.07291	0.9
138.05507	0.6
144.08086	0.7
145.04974	2.1
146.09660	6.4
164.10719	100.0
165.11032	1.5
192.10188	1.5
199.61746	0.5
210.11258	87.0
211.11588	1.6
234.11308	0.6
250.58815	0.6
252.12151	0.6
356.07080	0.5
372.16473	3.8
388.88120	0.5
388.93298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	10.9
69.49420	18.5
69.49828	23.4
75.20815	6.2
79.05505	5.7
81.07058	7.4
91.05469	29.9
98.21472	11.5
105.07038	11.3
107.06034	6.2
109.10181	9.4
121.06480	14.9
121.10152	11.1
143.95340	5.6
151.03775	6.5
153.18279	5.8
167.83209	5.8
169.08597	13.8
177.05482	82.9
187.07549	11.4
191.06937	10.4
202.26581	7.9
202.86867	5.8
203.07021	12.9
203.86446	6.2
205.04951	94.6
231.06612	15.6
235.07500	7.7
246.08836	19.0
251.07037	21.0
253.08662	12.5
283.09698	14.7
300.89520	7.7
330.12338	7.4
337.14401	100.0
373.13074	14.1
373.17899	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	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03950	5.1
55.01872	9.6
55.05268	2.1
55.05517	31.2
57.03429	9.2
57.07076	3.0
59.05002	2.6
59.46988	2.1
61.02944	10.7
61.28562	2.1
65.03936	3.8
67.05507	8.7
68.20237	2.3
69.03434	42.5
69.07065	7.8
69.41497	9.1
69.41917	6.4
70.06594	5.0
71.04996	6.0
72.08134	3.1
73.02917	6.6
79.05494	9.1
81.03417	14.6
81.07066	17.3
83.04989	53.9
83.05457	4.2
83.08625	37.3
84.08186	2.2
85.02911	58.0
85.06538	7.0
86.09731	2.9
87.04455	6.3
91.03951	3.9
91.05496	7.9
93.07046	11.5
95.04968	11.4
95.08617	15.9
96.08086	1.9
97.02898	30.6
97.06523	11.4
97.10198	3.3
99.04478	7.7
103.03930	12.7
103.36464	2.0
105.07043	11.9
107.04951	6.9
107.08614	20.8
109.02896	12.7
109.06532	9.6
109.10152	15.2
111.04447	4.8
111.08099	11.5
113.06013	2.1
113.09660	3.9
119.08585	7.2
121.06518	6.4
121.10138	14.8
123.04468	2.5
123.08092	9.7
123.11711	7.8
125.06000	6.1
125.09619	12.4
127.03931	14.5
129.05522	2.5
129.06996	5.0
131.08534	5.3
133.10178	14.8
135.08099	5.1
135.11697	4.1
137.05997	11.2
137.09628	3.0
139.11192	26.6
144.04477	4.8
145.04993	7.0
145.10139	4.4
147.11694	3.8
149.05995	2.8
149.09630	27.8
149.13162	3.3
151.11183	29.1
153.09088	2.8
155.10678	5.1
156.05743	2.9
161.09647	2.9
161.13242	2.9
163.11130	3.9
167.07033	14.3
167.14323	44.6
169.12219	4.3
172.03917	16.1
173.13214	4.5
175.07535	4.1
175.11200	3.3
181.12244	50.7
185.08144	6.6
187.07655	3.8
191.07054	4.7
191.14296	10.7
192.07814	3.3
204.06599	26.5
209.15384	100.0
210.15691	3.6
217.08629	5.8
233.15427	9.4
237.10406	5.4
247.09724	2.7
251.08141	3.9
261.09122	3.0
263.16443	3.5
265.09741	4.7
278.09457	2.4
285.07507	4.2
293.17691	2.7
295.15570	2.6
300.09863	4.1
307.07007	2.9
311.10226	3.1
313.16486	2.5
321.11349	2.3
335.18454	4.9
353.14301	2.9
371.12595	6.1
371.16345	10.0
371.20700	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	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03942	7.0
55.01860	8.0
55.05510	21.2
57.03438	10.4
57.07088	10.8
59.04999	8.4
61.02932	6.9
67.05515	13.1
69.03432	45.5
69.07060	21.5
70.06591	13.8
71.04971	8.6
71.11646	6.2
71.11983	5.7
71.35734	3.7
72.08149	17.5
73.07819	4.6
79.05489	18.9
81.03421	25.6
81.07061	71.2
83.04991	36.4
83.08624	44.7
85.02905	90.3
85.06524	6.7
86.09710	8.2
86.17382	4.5
91.05482	14.8
93.07034	27.5
95.04948	25.4
95.08602	15.3
97.02885	32.9
97.06545	8.8
97.69019	4.5
98.97617	6.8
99.04469	17.4
102.05529	4.7
103.31789	4.1
104.33640	4.2
105.07040	13.3
107.08591	37.1
109.02877	37.9
109.06524	35.2
109.10190	29.1
111.04467	5.8
111.08088	18.0
119.08549	12.2
121.06505	9.6
121.10155	26.4
123.08110	5.9
123.11714	20.0
123.35694	4.4
124.07577	7.0
124.09573	4.3
125.06005	5.9
125.09651	15.0
127.03915	55.8
129.05452	6.5
131.08597	7.6
133.06563	4.6
133.10159	12.1
135.08072	9.9
135.11766	8.0
137.06055	8.1
139.03951	5.9
139.11168	6.0
145.04961	10.9
145.10123	4.6
146.61482	5.3
147.08054	4.4
147.11662	6.4
148.07643	5.4
149.09645	10.4
149.13260	37.5
151.11198	11.6
153.09140	11.8
158.04518	4.2
163.11217	4.7
163.14821	6.7
167.07034	35.2
167.14310	44.4
169.12404	6.5
171.10121	5.2
173.13223	13.9
181.12172	6.1
187.05968	6.4
191.14359	46.8
205.07065	13.5
209.04489	15.3
209.07997	5.7
209.13577	6.4
209.15379	63.3
315.14459	4.8
325.42761	5.3
353.19724	9.9
371.12845	9.5
371.16690	100.0
371.20602	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	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
51.98384	3.5
53.03939	9.7
55.01872	3.6
55.05508	33.9
57.03423	7.6
57.07077	19.7
59.05002	5.4
67.05501	16.9
69.03431	34.8
69.06776	3.0
69.07073	38.1
69.47863	19.2
69.48264	7.5
71.04988	9.9
79.05506	27.2
81.03424	15.0
81.04530	9.7
81.07060	100.0
83.04996	22.0
83.08624	80.0
84.08127	3.7
85.02912	34.4
85.06531	6.3
86.09721	3.7
89.16602	3.2
91.05472	10.2
93.07056	36.9
93.83973	3.0
95.04960	9.4
95.06099	12.7
95.08605	23.9
97.02892	18.5
97.06527	14.6
99.04446	8.3
99.08095	3.4
105.07014	14.6
107.08601	46.6
109.02868	7.6
109.06522	66.9
109.10162	45.0
111.08083	24.1
119.08604	10.0
121.06548	4.3
121.10153	38.3
123.08088	8.9
123.11713	33.4
125.07125	12.0
125.09605	6.1
125.13260	8.6
127.03905	23.5
129.06998	4.6
131.08572	5.8
133.10170	15.4
135.08040	10.6
135.11694	7.5
137.05989	7.8
139.07486	4.2
139.11139	5.8
143.08138	8.4
145.04994	4.3
145.10144	5.8
147.08063	3.9
147.11729	4.0
149.09650	19.0
149.13269	56.5
151.07634	4.3
151.11212	6.6
153.09116	14.6
163.14848	11.0
167.07047	14.1
167.14310	67.6
169.12230	4.2
171.10179	7.7
171.11574	3.5
173.13261	10.2
177.05537	4.6
191.14301	40.7
209.15398	37.9
227.16516	5.2
257.94531	3.2
353.19745	7.6
371.12634	5.3
371.16647	65.9
371.21646	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01860	0.8
55.05504	1.6
57.03411	0.9
58.97497	0.6
60.13268	0.6
61.02922	1.0
63.87213	0.5
65.35073	0.5
67.05503	1.9
67.43009	0.5
68.91392	0.5
69.03428	4.1
69.07081	0.8
70.06580	1.7
70.89604	1.2
79.05502	5.5
81.03409	1.8
81.04540	1.1
81.07051	2.5
83.04977	2.3
83.08613	1.3
85.02491	0.6
85.02915	6.3
86.09713	1.0
91.05440	2.9
93.07050	6.7
94.97348	0.7
95.04963	1.7
95.06116	0.8
95.08614	1.9
97.02894	2.5
97.06521	0.6
99.04446	0.8
102.05544	0.9
103.05470	1.4
105.06384	0.8
105.07045	10.6
106.07857	0.7
107.04995	3.7
107.08618	0.9
109.02862	1.3
109.06534	3.6
109.10147	1.9
110.06062	1.4
111.06345	1.0
119.08595	3.2
121.06522	3.7
121.10155	18.7
123.08059	2.7
123.11735	1.7
125.07101	1.7
125.09618	1.6
127.03912	1.2
129.06946	0.6
130.08653	0.6
131.08586	1.5
133.07607	1.3
134.07224	0.6
135.08098	1.2
139.05806	1.0
139.11137	0.8
143.08170	1.3
145.10106	1.1
147.11655	0.6
149.09628	100.0
150.09970	1.3
151.11183	3.2
167.07095	2.6
167.10678	0.7
167.14322	2.2
173.13252	0.6
181.12227	1.4
190.89931	0.7
191.14319	35.2
192.14651	1.0
209.04456	1.6
209.15347	5.5
229.91550	0.6
353.06702	0.8
371.13239	1.8
371.16769	13.0
371.21637	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	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97950	1.0
55.01859	2.1
55.05506	2.4
57.03435	2.9
57.07066	3.2
65.39691	1.1
67.05502	4.1
69.03426	16.6
69.07053	4.8
69.66380	6.9
70.06583	3.5
71.04994	1.4
72.08155	2.9
73.02886	1.2
79.05487	4.5
81.03418	2.2
81.04544	3.5
81.07056	5.9
83.04990	12.3
83.08623	2.4
84.08140	1.6
85.02915	9.6
85.06528	3.8
86.09725	1.2
88.48653	1.0
89.06039	9.6
91.05463	5.0
93.07060	5.9
95.06086	2.8
95.08607	9.7
97.02879	3.5
97.06535	3.8
99.04460	1.6
105.07024	8.1
105.34679	1.2
107.04951	1.3
107.08598	18.3
109.02875	1.4
109.06529	8.9
109.10162	4.2
111.04494	1.3
111.08106	8.8
115.05457	1.5
119.08568	4.9
121.06498	2.6
121.10143	9.9
123.08068	4.8
123.11710	3.1
124.07643	1.4
125.07109	4.4
125.09629	29.9
127.03941	5.0
129.06985	1.4
131.08589	8.2
133.08586	4.1
133.10133	13.0
135.08064	23.5
135.11659	5.9
137.05940	1.8
137.09630	2.2
143.08388	2.3
145.10156	5.3
147.11676	3.4
149.09628	13.7
149.13217	5.7
150.10396	2.8
151.11157	2.6
153.09128	8.3
158.10945	3.7
159.08012	1.3
161.04103	1.1
161.09610	2.6
163.11189	7.7
163.14825	4.7
165.12785	1.4
166.37160	0.9
167.07036	3.7
167.10692	3.6
171.11559	1.2
173.09593	1.2
173.13269	26.4
175.08681	1.5
176.11952	3.2
191.14310	100.0
209.15375	97.2
210.15706	3.1
217.08617	1.1
221.09328	1.7
262.97214	1.0
353.13611	1.5
353.19687	3.0
371.12531	2.4
371.16656	15.3
371.21066	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91514	1.7
51.66642	1.6
53.03935	4.5
53.58833	1.6
53.78718	1.6
55.01867	4.8
55.05521	8.4
56.96561	5.8
57.03425	7.0
57.07067	3.3
59.04969	2.3
61.02914	6.2
61.50549	1.6
65.03941	1.8
67.05509	14.0
69.03135	1.7
69.03439	20.3
69.07069	15.3
70.06596	13.8
71.01362	2.5
71.04988	10.0
72.08142	7.9
73.02912	5.4
73.04746	5.4
79.05489	14.1
81.03426	13.7
81.07058	29.1
83.01338	2.0
83.04975	10.4
83.08623	17.6
84.04504	2.3
84.08128	5.5
85.02420	2.9
85.02910	42.6
85.06519	4.6
86.09694	7.0
91.05447	7.4
91.05859	5.5
93.07044	14.6
95.04961	8.2
95.08603	7.1
97.02907	16.1
97.06538	35.1
98.97571	6.8
99.04449	6.9
101.02399	2.9
101.06035	1.9
103.03945	1.9
105.07031	12.8
107.04964	2.8
107.08594	19.4
109.02866	6.7
109.06525	100.0
109.09456	3.2
109.10162	49.6
110.07185	3.0
111.04440	3.9
111.08081	6.0
113.05988	3.2
117.06995	5.1
119.08552	7.1
121.02876	62.6
121.06516	3.0
121.10136	19.4
122.06028	4.3
123.08092	9.6
123.11732	4.6
124.07594	2.2
125.06012	2.5
125.09653	2.2
127.03926	15.9
128.98636	2.7
129.05502	2.5
129.10236	2.4
130.08656	2.1
131.04852	1.8
131.08578	7.7
133.06430	2.0
133.10149	28.9
135.08051	18.5
136.07597	2.2
137.06013	3.9
137.09630	2.4
138.05492	1.7
139.07526	2.3
141.01889	2.4
145.04930	6.7
145.10121	4.2
147.04408	2.9
147.11667	2.9
149.05956	2.8
149.09662	4.4
149.13260	11.4
150.05551	3.1
150.22546	1.6
151.11212	3.4
152.06993	2.3
153.09123	8.7
163.14867	4.8
164.07089	4.0
165.10349	1.9
166.08580	2.2
167.07043	3.7
167.14325	9.6
169.09784	2.5
173.13252	13.6
177.05519	2.5
182.08168	2.8
191.14330	53.3
194.02168	3.3
195.06561	4.7
205.07062	3.4
209.04498	20.8
209.09010	44.6
209.15399	16.5
212.00098	7.1
213.07671	1.9
214.08595	2.7
217.08493	1.8
238.10789	1.7
267.10709	2.1
268.97794	3.5
282.56812	1.9
285.00940	3.8
315.49686	1.8
355.06842	5.2
371.12939	14.4
371.17191	6.0
371.21115	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	371.1857
Annotation	Macquarimicin C
Peak:m/z	Relative Intensity
55.05490	1.2
63.72453	1.1
67.05492	2.0
69.07072	2.2
69.30393	11.1
79.05494	3.1
81.07050	4.8
91.05486	61.5
93.07039	1.3
95.08613	1.5
99.98301	1.0
103.05479	1.6
105.03379	2.2
105.07035	11.4
107.08600	1.4
108.88939	1.0
109.06493	1.7
109.10143	2.5
115.05489	1.3
116.22200	1.0
117.07040	1.1
119.08601	3.8
121.10175	1.0
131.04938	2.1
133.06482	1.2
137.05943	1.5
145.10152	1.7
147.11650	1.7
151.03918	2.8
153.06963	1.8
154.58601	1.0
155.08609	1.2
159.04433	2.9
161.05951	2.4
165.07042	2.1
165.12758	1.3
166.07802	5.1
173.05928	1.7
178.07782	2.1
179.08569	4.2
181.10130	4.2
189.05484	9.6
191.08534	3.5
194.07362	3.5
195.08124	1.4
201.05493	3.3
203.07069	8.0
203.08675	1.8
207.06511	4.6
209.09637	4.5
211.11296	1.8
213.48535	1.2
219.08080	1.7
224.08322	1.9
237.09181	6.9
239.10609	4.0
243.10178	3.0
249.09003	3.0
251.10809	1.2
253.08527	1.3
255.10164	2.1
267.10178	100.0
268.10522	2.1
279.10217	3.1
284.23657	1.3
291.09976	1.7
295.13278	2.3
299.12833	8.3
321.14874	16.7
339.11868	2.9
339.15942	56.5
353.17474	6.5
371.11121	1.7
371.18454	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	371.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01866	4.7
55.05511	4.8
56.05053	1.4
56.96569	52.0
57.03447	13.0
58.06596	2.8
60.95844	1.9
61.02936	9.1
65.03927	1.8
67.05506	4.6
68.05023	2.0
69.03071	2.3
69.03436	36.2
69.07062	1.9
70.03780	1.9
70.06592	7.9
70.55745	1.5
70.56097	4.9
71.04994	5.9
71.95274	2.3
72.08167	7.7
73.02930	18.0
73.04774	2.7
73.06580	3.5
79.05473	1.8
81.03423	12.9
81.07086	2.6
82.06609	2.7
83.04970	2.1
84.08147	8.8
84.96059	8.4
84.96465	1.4
85.02914	67.0
85.06557	3.3
86.03260	3.0
86.09682	1.9
87.04470	11.6
91.03970	2.9
91.05393	2.7
91.05873	3.2
93.07050	1.9
94.06576	7.8
95.04993	3.8
96.08144	2.2
97.02901	39.1
97.06483	2.1
97.96806	2.1
98.09697	2.3
98.97590	100.0
99.04459	4.7
99.97963	2.2
100.99133	2.1
102.05599	1.6
102.09194	1.9
102.96899	3.7
105.07014	1.9
106.06566	2.5
107.04962	2.2
109.02866	8.5
109.06472	1.9
110.01322	2.2
110.09685	2.4
110.97578	23.7
111.04504	2.3
112.07560	2.4
112.99169	6.8
113.06006	3.8
115.00735	2.4
115.03953	4.0
116.98634	39.2
116.99447	2.7
119.01878	4.8
119.04942	7.7
120.05284	1.8
120.97948	1.7
121.02883	2.0
121.06531	1.8
122.06046	3.3
123.04449	2.1
123.05579	2.0
124.07595	4.6
124.99170	2.9
125.99124	1.8
126.09182	2.1
127.00748	2.1
127.03958	13.5
128.10693	1.8
128.98624	22.2
129.05476	1.8
130.08650	1.9
130.93294	2.5
131.00169	11.6
131.04999	1.9
133.01715	3.0
133.04971	2.2
134.99670	10.9
136.06201	17.4
136.07584	3.7
137.05989	16.4
138.05536	4.0
140.07043	1.9
142.08560	1.8
143.00177	6.5
144.98103	2.3
145.01707	3.4
145.04973	11.9
146.06035	3.3
146.99678	12.8
147.03235	4.2
147.04449	15.3
148.03900	2.9
149.01227	6.1
150.05511	77.0
151.07381	1.7
152.98582	2.8
153.05513	1.5
154.08630	3.3
155.04683	7.3
155.54843	1.6
157.01791	2.4
157.03352	1.9
158.01144	1.8
158.04390	1.6
158.99690	19.1
159.00966	2.2
159.01485	2.0
159.03316	6.1
161.01227	7.6
161.02928	2.5
161.04706	1.9
162.03592	2.4
162.99118	2.0
163.02751	2.3
163.06075	2.4
164.05200	2.5
164.07123	3.5
165.02716	1.8
166.05009	1.9
166.06352	1.6
167.02173	1.7
167.07034	4.8
168.06657	2.7
170.99707	5.9
171.03215	3.9
172.94373	9.4
173.01324	3.7
174.11224	1.8
174.97585	2.2
174.99072	2.4
175.02817	2.1
177.00745	17.0
177.04341	5.3
178.04962	1.9
179.02396	2.3
179.07137	3.6
183.06017	4.0
184.02866	3.6
185.01208	1.9
185.02962	1.7
186.04489	2.4
187.02771	3.4
189.00723	5.0
189.04369	3.8
190.95416	7.7
191.02280	3.0
191.05742	2.0
192.06599	8.5
198.04478	2.1
200.05136	2.7
201.00676	7.8
201.04330	2.0
202.03827	4.3
202.98738	1.7
203.04150	2.3
203.05833	1.9
205.05479	3.0
207.05354	1.6
208.04984	2.2
208.55128	2.1
208.96588	3.1
209.03362	1.6
209.09171	33.0
210.11377	1.9
212.00130	13.5
214.01862	3.5
214.03952	1.9
214.95483	4.9
215.02402	1.8
215.05817	1.8
217.05511	2.0
219.01762	29.5
219.05252	2.7
220.02112	1.7
221.05444	3.6
223.03038	2.4
223.05278	1.6
227.02214	2.2
227.06802	6.4
232.96391	7.7
235.02797	3.7
235.04906	2.3
236.06245	4.6
237.00420	3.2
237.02815	45.0
238.03583	1.8
238.06154	1.7
240.03795	1.9
242.03401	2.7
244.55685	4.0
244.96648	3.2
245.06837	32.4
245.56744	10.0
250.97566	4.1
253.03908	3.7
259.04959	1.9
260.08145	2.1
264.08640	2.0
265.58267	3.1
268.97760	2.7
269.05634	2.9
270.11954	3.2
272.10129	8.0
274.97589	5.8
275.04474	4.6
280.59131	2.4
281.09702	6.4
284.99789	6.1
286.97577	2.5
291.07455	7.3
293.05521	5.9
295.07117	5.1
296.08102	1.7
297.07126	1.7
303.00482	8.7
304.98550	2.0
309.02795	2.2
309.08517	7.1
311.13010	2.5
321.01889	2.4
326.06842	3.7
329.06244	2.3
329.13992	1.9
335.10104	4.1
351.09711	1.9
355.07404	1.6
362.12076	6.5
371.13766	11.7
371.18393	2.4
371.26797	2.0
372.12674	3.7
389.07434	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	(+)-Demethoxyaschantin
Peak:m/z	Relative Intensity
53.03941	0.4
55.01875	1.8
65.03938	0.4
67.05511	0.5
69.03445	0.2
71.00368	0.2
71.01457	0.3
71.01800	0.5
75.36788	0.2
79.05495	2.1
79.24670	0.2
81.03414	1.1
81.07057	7.0
87.04506	0.4
87.17788	0.2
91.05482	2.5
95.01344	0.4
95.04969	3.0
95.08620	0.3
97.02927	0.4
100.28432	0.2
105.07021	0.4
107.04940	0.3
107.08542	0.2
108.05718	0.4
109.06525	12.0
115.05476	0.3
119.04955	1.3
119.08606	0.6
119.25851	0.2
121.02853	2.0
123.07989	0.3
129.06998	0.8
131.04953	0.2
131.08604	0.4
133.02867	0.3
133.06480	0.4
135.04390	0.4
137.05983	46.5
138.06369	0.4
144.05714	0.3
147.04414	0.3
147.08044	1.5
149.02333	1.6
151.03867	0.5
151.07526	1.3
157.06444	0.6
160.05151	0.3
161.02356	5.2
161.05992	2.0
163.03906	4.9
164.08856	0.2
164.66740	0.2
167.03406	0.7
169.08629	0.4
173.05936	0.2
175.03914	0.5
175.07661	1.2
185.05989	2.2
187.03903	0.6
188.04652	0.3
199.07516	0.5
203.07037	100.0
204.07355	1.7
241.08629	0.6
242.55055	0.3
243.10197	2.0
251.07263	0.3
257.81082	0.3
263.06931	0.4
269.08231	0.3
275.10785	0.3
279.10254	0.4
281.08142	0.6
293.11716	0.5
297.11166	0.6
311.12750	0.4
321.11301	0.8
339.12286	10.6
340.12576	0.6
353.13715	0.3
371.14932	12.4
372.15338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.3
55.01860	3.1
67.05510	7.3
67.88329	2.9
69.03453	3.5
69.07057	3.1
71.04985	3.2
71.56622	5.5
79.05499	12.2
79.06994	2.4
80.40425	2.9
80.63548	2.5
81.07057	9.8
82.79890	2.9
85.02908	3.5
91.05486	12.2
93.07035	5.1
94.04202	4.3
95.04967	6.5
95.08611	4.1
97.06545	5.7
98.97611	4.3
103.05418	3.2
105.07034	7.8
107.04960	20.7
107.08602	4.1
109.06495	4.6
109.10152	7.0
115.05442	6.2
118.80721	3.3
119.04936	3.5
119.08552	3.1
121.02827	3.1
121.06538	3.6
122.03650	10.2
123.04483	4.2
123.08057	2.9
124.05190	3.4
125.05996	4.2
127.03981	2.4
128.06194	7.0
129.07047	14.9
131.04906	4.8
131.08531	14.3
133.02841	3.0
133.06491	3.2
137.05983	100.0
141.06995	4.6
144.05641	6.6
145.06511	5.0
145.10107	4.1
147.11659	3.8
148.99718	2.2
149.05949	4.5
151.03983	4.5
151.07497	3.7
153.05490	7.0
156.05698	20.6
157.06491	8.0
159.08072	21.1
160.05186	4.3
161.06000	4.8
163.03894	3.1
167.07056	50.8
169.06415	3.1
172.05164	5.5
173.13239	5.6
174.06766	4.0
175.07544	11.6
177.05484	10.7
178.07704	5.0
179.07004	3.9
180.05713	3.5
181.06459	4.0
184.05182	3.2
186.06763	6.3
187.07532	26.4
189.09093	6.7
190.07732	6.7
191.14319	6.4
195.06535	3.3
198.06766	3.0
201.09149	5.7
202.06299	7.8
202.07942	3.4
203.08594	8.3
205.06737	5.6
205.08629	12.2
206.07304	6.2
207.06371	4.1
207.08081	6.4
209.08044	3.2
210.06779	3.5
211.07565	6.7
215.08664	4.8
217.06526	5.9
217.08595	67.1
218.07291	15.0
219.08052	9.2
219.10135	5.2
221.09665	9.5
223.07507	4.4
224.04555	5.3
226.06223	7.4
229.08559	4.3
231.08022	9.3
232.08922	3.9
233.06064	3.7
233.09639	23.0
234.06839	12.8
235.07550	10.2
239.07077	14.1
241.08569	19.9
245.06114	2.8
246.06790	8.1
247.07463	12.8
247.09685	26.2
248.08336	5.6
249.09126	19.4
250.09813	4.2
251.07034	7.5
251.10774	3.9
252.07835	7.4
257.08105	6.2
259.07550	3.2
260.08197	6.3
261.09109	33.4
262.06345	5.0
262.09772	3.7
263.07028	13.6
263.10541	3.7
264.07574	3.3
265.08594	6.5
266.09586	4.0
269.08130	11.8
270.08951	3.9
271.06055	6.5
277.08511	29.2
278.09308	17.7
279.06534	4.1
279.10074	6.4
280.07346	4.2
281.08347	2.9
281.11737	7.4
285.07596	36.5
286.08240	9.8
289.08691	7.4
291.06573	3.4
291.10159	4.6
293.08258	6.4
293.11707	23.6
294.08777	3.6
295.09558	4.9
300.09906	41.9
301.10666	19.5
306.08777	10.2
307.09659	8.7
308.10483	2.9
309.11176	26.0
311.09195	4.5
311.12741	3.1
313.10730	8.7
321.11188	37.6
322.11746	4.9
323.09213	11.5
326.11624	13.9
338.11533	5.2
339.12372	13.4
341.13757	7.7
353.13849	60.3
371.07693	3.5
371.15057	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	371.1491
Annotation	(+)-Demethoxyaschantin
Peak:m/z	Relative Intensity
53.03950	0.7
53.82544	0.5
55.01873	1.2
59.04994	0.6
69.56586	4.0
74.69814	0.5
79.05489	2.4
81.03415	1.5
81.07059	7.1
85.10220	0.5
91.05474	2.9
95.04960	3.2
98.20760	1.3
101.41759	0.5
105.07037	1.5
109.06525	12.9
115.76249	0.6
119.04966	1.1
119.08592	0.9
121.02872	2.4
121.10181	0.6
129.06976	0.8
133.02840	0.6
135.04407	0.9
137.05983	44.2
147.08017	1.5
149.02341	1.0
151.07549	2.3
161.02353	4.7
161.05991	1.9
163.03934	6.2
168.68951	0.6
175.03839	1.0
175.07481	0.9
185.05981	2.1
203.07037	100.0
204.07428	1.9
207.06577	1.0
241.08516	0.7
243.10130	2.1
268.26367	3.0
293.11832	0.6
321.11044	1.0
339.12296	10.7
371.14856	13.2
372.15234	0.8
378.23453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0977
Annotation	Fraxin
Peak:m/z	Relative Intensity
53.03934	0.6
54.50854	0.2
55.01864	0.7
55.05500	0.8
56.96568	0.3
57.03424	0.7
57.07704	0.2
61.02924	1.7
65.03934	0.8
67.05505	0.5
69.03433	3.7
69.07048	0.4
70.06586	0.6
70.82693	0.5
71.04984	0.7
72.08136	1.0
73.02884	0.3
73.04755	0.3
79.05492	0.4
81.03423	1.5
81.07043	0.7
83.04962	0.7
83.08611	0.3
84.04508	0.3
84.08128	0.6
85.02910	8.4
85.03429	0.4
85.48760	0.2
85.53565	0.2
86.09696	0.7
87.04472	0.5
91.05824	0.3
92.63776	0.2
93.03393	0.9
93.07039	0.5
95.01354	0.2
95.04967	1.0
95.08586	0.4
97.02898	3.3
97.06534	0.4
98.09722	0.2
98.97597	0.5
99.04446	0.8
101.05964	0.2
103.05474	0.2
105.07013	0.6
107.04948	0.4
107.08582	0.8
109.02873	1.1
109.06487	0.5
109.10184	0.4
111.04440	0.4
115.03920	0.3
117.06973	0.2
119.08564	0.4
120.07971	0.2
121.02898	0.3
121.10148	0.5
121.47185	0.2
125.05981	0.3
127.03928	1.9
128.10727	0.5
129.05513	0.3
133.06496	0.3
133.10165	0.3
135.04361	0.3
135.08073	0.3
135.11639	0.3
137.05937	0.6
137.09538	0.2
145.05020	1.1
147.04448	0.3
149.02350	1.3
149.09578	0.4
151.03911	0.9
151.11212	0.3
161.06140	0.2
163.07552	0.4
166.02649	1.9
167.07039	1.1
167.14349	0.2
173.13235	0.4
177.01881	1.6
177.05513	0.7
191.14305	0.8
194.02112	11.6
206.11897	0.3
209.04457	100.0
209.15396	0.9
210.04820	1.6
216.10362	0.2
353.06583	0.3
371.12784	0.6
371.16806	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	370.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52966	0.8
53.03937	0.9
55.05502	2.6
65.03930	3.0
67.04250	2.2
67.05507	8.8
69.03423	2.7
70.06562	1.1
70.87018	1.2
70.87363	1.4
71.04994	9.0
72.08171	1.0
73.34946	0.8
76.63776	0.6
79.05482	1.4
80.05028	1.1
81.03408	1.9
81.07047	2.1
82.06587	8.9
83.04984	8.3
85.02909	5.6
85.06567	1.5
87.00874	0.9
91.05489	1.1
93.03419	3.6
93.07055	1.1
95.04977	3.0
96.04510	2.1
97.02878	1.2
97.06556	1.2
102.05547	1.3
105.01893	1.3
107.08592	1.2
109.02882	2.3
109.06542	2.0
110.06048	100.0
111.04459	6.7
111.06402	0.9
119.04990	1.2
121.02848	1.1
123.04415	1.4
123.11672	0.7
124.07607	2.8
125.06030	2.0
126.05531	1.5
127.03870	1.5
127.07555	4.9
131.07063	3.2
132.76956	0.7
134.06029	1.0
135.08110	0.9
136.03964	1.6
136.07596	0.9
137.05984	9.8
138.05507	48.9
139.03905	23.2
139.05707	0.9
143.08569	0.8
145.04967	1.0
145.08611	20.3
146.09668	0.9
148.07593	1.2
149.09602	1.0
152.07083	11.0
153.05496	2.7
154.08643	1.5
160.07521	1.0
162.05557	1.1
162.09123	0.8
165.05501	6.7
166.08586	1.5
167.03401	14.2
171.06563	0.8
176.04305	0.8
183.06519	3.6
185.04411	5.4
186.09151	1.3
190.08629	2.5
191.09169	3.0
191.14346	1.9
197.08006	3.5
198.09326	0.9
199.06017	18.3
199.07758	1.4
200.10732	1.3
201.09120	1.1
202.08699	1.7
207.10234	0.9
209.15511	0.9
214.08646	1.4
228.10201	2.4
230.08151	7.1
246.11221	0.8
256.09750	4.4
258.07663	1.1
260.09259	1.6
272.09268	0.9
274.10739	3.5
276.08777	2.8
302.10239	6.0
320.11288	9.8
330.27466	0.8
334.12875	1.6
352.13907	7.5
370.15054	5.3
371.16891	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	369.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05520	0.9
56.96562	1.6
57.03416	0.5
64.75317	0.4
67.05499	1.8
69.03436	0.4
69.07061	1.5
69.57388	2.3
71.04970	0.4
79.05493	1.8
81.07073	4.3
83.04978	0.7
85.06515	0.6
91.05476	3.2
93.07031	1.8
95.04971	0.8
95.08606	1.9
95.36047	0.4
97.06540	1.0
98.97607	1.0
105.07032	1.8
106.66631	0.4
107.04941	0.7
107.08608	1.5
109.06511	1.8
109.10158	1.6
111.04478	0.8
117.07038	0.6
119.04949	0.6
119.08573	1.5
121.06487	0.7
121.10146	1.2
123.04448	0.5
123.08059	0.9
125.09547	0.4
129.06955	0.5
131.08546	0.6
133.10144	1.4
135.08055	0.8
135.11684	0.8
135.18686	0.4
137.05992	6.6
139.11275	0.5
143.08594	0.9
145.10091	1.1
147.11703	0.9
149.05933	0.6
151.07588	0.4
155.08519	0.5
159.08043	0.6
159.11673	0.6
161.06035	0.5
161.09663	1.1
165.09193	0.4
166.88300	0.5
171.11642	0.6
175.03943	1.1
175.11176	0.6
179.07135	0.5
187.07535	0.7
201.09218	0.6
202.98811	0.5
203.07042	0.8
207.06493	0.9
221.06052	0.7
225.09157	0.7
231.17459	1.0
232.96385	0.5
237.05461	1.0
240.07741	0.5
249.09113	0.6
249.18393	0.8
253.08638	1.2
262.09888	0.5
267.10089	1.0
277.12045	0.5
277.17999	4.3
280.07462	0.9
281.08221	1.3
283.05844	0.4
293.08087	1.3
295.13260	0.5
295.19128	0.5
305.11508	0.4
308.10233	0.8
318.08997	0.5
321.07703	0.5
323.12784	4.8
333.11154	1.2
336.10062	1.0
338.47180	0.4
351.12302	4.2
369.13400	13.0
369.29779	100.0
370.29959	2.7
394.27444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2426
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03937	1.0
54.02295	0.5
55.01871	1.2
55.05507	2.9
57.03419	0.5
57.07068	1.8
59.04999	1.2
65.03938	1.1
67.05505	4.5
69.03423	2.1
69.07074	10.6
70.13998	2.0
71.04999	0.8
73.20043	0.6
79.05496	5.1
81.07061	18.2
83.04972	1.8
83.08656	2.8
85.02888	1.2
91.05486	31.2
93.07034	4.9
95.04971	2.1
95.08617	11.5
97.02899	2.3
97.06528	2.5
97.10182	0.8
99.04462	0.7
103.05477	1.3
105.03416	1.1
105.07037	63.1
106.07374	0.8
107.04977	2.0
107.08584	4.6
109.06541	3.0
109.10155	3.2
111.04441	2.7
111.08118	0.9
113.06020	1.0
115.05458	0.9
117.07014	3.9
119.04948	0.8
119.08598	6.1
121.06519	4.2
121.10145	3.3
121.43472	0.5
123.04458	1.6
123.08067	3.3
125.05971	1.1
125.13285	0.9
128.06259	1.3
129.07033	3.7
131.08589	4.8
133.02867	7.8
133.06503	5.9
133.10141	2.0
135.00797	1.1
135.08067	1.9
135.11726	2.1
136.01582	0.9
137.05997	2.6
137.09615	1.1
137.13255	6.5
139.07561	1.3
141.06982	1.5
143.08589	4.5
145.06497	0.7
145.10135	4.0
147.08075	1.4
147.11646	1.2
149.02364	1.3
149.05989	3.0
149.09642	0.6
149.13231	1.5
151.03917	11.4
151.07510	0.7
157.06456	1.0
157.10126	1.6
159.08086	1.0
159.11708	2.4
161.02368	5.7
161.05923	0.9
161.09622	0.7
161.13272	2.4
163.14745	0.5
165.05482	1.4
165.06927	0.6
165.09167	1.5
166.07867	1.0
167.03380	0.7
167.07065	4.0
167.08568	1.8
169.10078	0.6
171.11757	0.7
173.09564	0.9
173.13226	1.0
175.03889	0.9
175.07576	5.2
175.14825	1.9
177.12746	1.9
179.03357	0.7
179.14354	1.2
181.10092	3.9
183.08015	1.0
183.11763	1.3
185.06012	1.4
185.09671	1.7
185.13217	1.6
187.03874	1.5
187.11215	1.1
187.14648	0.7
193.04973	18.3
193.15894	0.6
199.11200	1.5
201.05522	0.9
203.07036	20.0
203.14346	4.1
205.12268	2.6
209.09657	3.7
215.10767	1.3
221.15370	3.2
223.13271	1.1
225.16348	0.7
227.10709	11.8
233.11726	0.6
241.12288	6.0
253.12114	0.7
255.13835	1.8
267.10269	0.6
267.13657	0.7
267.17514	0.8
269.15387	1.2
277.08792	0.7
277.12109	0.5
281.15472	0.7
291.10110	0.9
295.09659	1.4
295.16928	3.7
304.07236	1.1
309.11343	0.7
309.18500	0.6
313.18045	0.6
319.09683	3.0
333.22424	1.1
337.10635	2.4
351.12280	6.7
351.19858	0.5
351.23193	18.8
369.13873	2.3
369.24252	100.0
370.24579	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	369.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59953	0.3
51.85786	0.3
54.36452	0.2
63.13921	0.3
69.85406	1.3
72.08157	1.6
91.12163	0.3
98.97581	0.3
124.03736	0.6
124.07296	0.5
129.73116	0.2
154.65997	0.3
192.26584	0.3
196.09467	100.0
197.09897	0.5
219.01830	0.2
232.10481	0.3
296.13608	0.3
301.85236	0.3
369.19974	11.4
377.06458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01875	5.4
55.05507	4.8
56.96568	0.9
57.03428	2.5
57.07064	1.4
64.71880	0.6
67.05494	6.0
69.03432	0.8
69.07064	4.8
69.69361	0.6
69.81229	0.7
69.95329	0.6
70.56223	0.6
71.09966	1.4
79.05495	7.9
81.07063	28.4
83.04977	2.8
83.08604	2.5
91.05477	5.2
93.07039	6.4
95.04895	0.7
95.08611	6.1
97.06531	2.4
105.07042	4.3
107.08617	5.7
109.06526	12.2
109.10159	2.7
111.04452	16.3
111.08104	1.8
113.05968	0.7
115.09362	0.6
117.07002	0.6
119.08562	5.6
121.06510	0.7
121.10155	5.4
123.08083	3.0
123.11736	1.9
125.06002	5.3
131.08582	3.5
133.06485	0.8
133.10149	5.2
135.08012	3.5
135.11700	4.1
137.05983	100.0
137.13249	1.9
139.07507	0.8
142.07768	0.9
143.08582	1.7
145.10129	2.2
147.08066	2.0
147.11711	6.8
149.09619	4.9
149.13240	1.3
151.07561	4.9
151.11153	1.1
157.10138	2.0
159.11679	1.3
161.09622	6.4
161.13248	2.2
163.11217	3.4
163.14957	0.8
165.09132	2.4
167.10631	1.0
167.33479	0.7
171.11806	1.0
173.13272	0.7
175.11198	5.2
175.14792	1.5
177.12724	1.1
179.10670	1.8
181.12189	0.7
189.12729	1.0
193.12289	1.3
203.17964	5.3
205.19482	0.9
207.06546	0.8
213.16496	3.4
221.18977	2.2
223.14742	1.2
231.17467	12.3
231.19576	1.2
241.15796	1.5
249.18523	13.6
268.34128	0.7
277.18002	71.2
278.18381	2.2
283.06015	0.7
295.19077	8.6
351.21634	7.7
369.09711	1.4
369.15494	1.0
369.23004	3.1
369.29779	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	369.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
53.81646	0.5
55.01865	1.1
55.05503	1.4
56.96558	1.0
57.03433	0.6
61.02909	0.4
67.05505	1.3
69.03429	2.3
69.07060	1.0
70.06577	1.8
70.65357	1.2
71.05004	1.3
72.08154	1.3
73.02901	0.5
77.03951	0.5
79.05492	6.5
81.03429	2.1
81.05791	0.6
81.07062	8.7
82.06579	0.8
83.04984	1.5
84.08131	0.7
85.02910	2.8
85.06523	0.7
86.09729	0.6
87.00827	0.6
91.05457	2.7
93.05788	1.3
93.07048	1.1
94.06596	1.3
95.04957	1.2
95.08611	0.8
96.08132	3.5
97.02892	1.6
97.06588	0.7
98.97581	2.1
99.04482	0.5
99.08093	0.7
102.05532	0.5
105.07034	1.3
106.06551	1.4
107.04967	0.8
107.07335	0.9
107.08601	0.8
108.08121	1.3
109.02867	1.3
109.06522	2.4
110.06055	7.1
111.04416	0.8
116.98592	0.5
117.07018	1.2
119.04935	0.8
119.08595	0.7
120.08100	0.6
121.02874	0.8
122.06053	3.3
123.04500	0.8
123.06815	4.8
124.06696	0.9
124.07603	17.7
126.05534	0.6
127.03939	1.0
128.10744	0.7
133.06499	1.1
134.06018	2.3
135.08092	0.7
135.11668	0.5
136.07578	2.8
137.05971	1.4
138.05479	1.1
140.07069	2.3
145.02832	0.5
145.06479	1.2
147.04472	2.2
150.05545	1.6
151.03891	0.6
152.07076	100.0
153.07388	1.4
154.08665	0.6
159.08105	0.6
159.26842	0.5
161.07063	0.5
161.50504	0.5
162.05463	0.9
163.03835	0.7
163.07564	1.7
164.07089	1.5
167.03442	0.7
168.06569	1.1
170.08134	28.2
171.13829	1.3
175.03889	0.9
177.05489	0.6
178.05051	0.8
182.08118	1.2
186.88171	0.5
189.12732	1.1
189.14958	0.7
196.09718	5.2
198.07719	0.7
200.09190	11.3
200.10973	0.7
203.08324	0.5
207.06335	2.5
208.06026	1.0
237.02779	1.1
244.10735	0.5
249.11813	0.5
276.91586	0.4
303.12360	0.4
351.11679	1.0
369.15594	1.7
369.20151	1.0
369.24094	0.7
370.11298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90092	0.7
53.03947	2.0
54.31936	0.8
55.01859	2.1
55.05518	0.9
56.05052	0.9
57.03430	2.5
61.02926	1.4
64.36518	0.8
65.03944	1.1
67.05499	2.4
69.03433	6.8
69.07056	1.1
69.51154	3.4
69.51561	2.3
70.06583	3.3
71.01331	0.9
71.04989	2.0
72.08150	1.9
73.02926	1.5
74.99346	0.7
79.05490	2.4
81.03410	5.3
81.07053	1.2
82.00087	0.9
83.04963	1.2
83.08620	0.9
84.04503	3.5
84.08141	2.5
85.02916	12.5
86.09707	3.6
87.00837	3.3
89.03918	1.4
91.05485	10.3
93.07045	8.4
95.01330	6.8
95.04974	2.6
95.08617	1.0
96.04503	1.2
97.02912	4.1
98.97582	3.2
99.04460	2.0
103.03940	2.1
103.05479	2.0
105.07037	5.4
107.04945	2.3
107.08617	4.8
109.02863	4.3
109.06532	1.5
110.06049	2.6
110.21922	0.8
110.97657	0.8
111.05562	0.9
111.08089	5.0
112.03976	28.1
112.34978	0.9
115.05448	3.8
116.98629	1.6
117.03363	3.0
117.07020	10.8
119.04955	2.4
119.08621	2.1
120.08083	2.1
121.06514	8.1
122.06020	2.2
124.07628	1.6
126.05486	1.8
127.03928	6.4
128.06178	0.8
129.01862	1.3
129.07018	1.4
131.04948	1.9
131.08626	1.5
132.08063	1.0
133.06520	6.2
134.09673	4.3
135.08052	12.5
136.07585	14.6
137.06009	3.3
138.05536	1.3
139.05029	1.6
140.07047	2.3
141.07001	1.5
144.08087	1.4
145.02858	4.1
145.06503	13.0
147.04422	3.5
147.08061	2.5
147.11682	1.9
148.07556	1.0
149.06003	2.5
150.09177	1.1
151.07535	3.5
152.10747	3.0
154.08630	1.6
155.06104	1.3
155.08488	1.4
157.06488	3.4
157.09628	0.8
158.07307	1.2
159.07985	1.9
161.05986	2.9
161.08299	0.9
162.05547	4.4
162.09152	29.0
163.03860	1.0
163.07555	33.5
164.07080	16.1
166.05125	1.8
172.07515	1.4
175.03923	4.2
175.07581	2.6
177.00705	1.0
177.05463	9.2
178.08630	1.8
179.11667	1.0
180.06552	1.4
180.10211	23.4
181.06172	1.0
182.08130	10.0
183.08134	2.0
185.06039	1.0
187.07588	5.0
189.12671	1.7
190.08664	13.8
191.09335	1.4
196.09656	3.0
201.09087	1.6
207.06264	6.0
207.11295	3.5
207.13847	1.5
208.09706	100.0
209.10097	1.5
211.07536	1.3
219.01895	1.0
229.08585	4.7
237.03061	1.1
247.09793	1.4
257.13052	0.9
273.12390	1.4
283.11716	2.5
289.12201	1.1
295.12872	9.0
298.62311	0.9
301.11804	11.9
319.12903	51.6
337.13940	2.4
351.11227	1.9
351.15366	1.8
369.11603	1.4
369.16733	4.2
369.20712	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	369.1335
Annotation	Massarinin A
Peak:m/z	Relative Intensity
53.03940	0.9
55.01863	1.5
55.05505	1.5
57.07066	1.0
60.08157	1.2
65.03941	2.0
67.05516	3.2
69.07071	1.5
69.83809	0.6
70.35641	0.5
71.57857	0.8
73.06509	0.9
74.02849	0.6
79.05495	7.3
81.03425	1.0
81.07067	4.1
83.08615	1.5
91.05481	3.7
93.03426	1.4
93.07038	2.6
95.04971	1.5
95.08598	2.6
97.06540	13.5
105.04548	0.8
105.07014	2.6
107.04953	5.4
107.08588	2.1
109.06496	1.1
109.10147	1.3
111.04541	0.6
111.08091	3.0
119.08522	3.0
121.06485	0.9
121.10123	0.9
123.08070	0.8
123.11727	0.8
123.54781	0.7
124.05250	0.7
125.06001	6.6
129.06918	0.6
131.08516	0.7
133.10141	1.3
135.04459	3.4
137.05992	1.6
138.06776	8.7
139.07542	7.3
143.08517	0.8
145.10117	1.6
147.11641	0.6
149.02434	0.6
149.06013	0.8
149.09566	0.8
151.03931	1.6
157.10155	0.7
159.11662	1.6
161.02315	1.6
167.07048	100.0
168.07372	0.7
171.11621	0.8
173.05986	0.8
175.03949	0.8
185.05980	0.9
193.05043	0.8
198.18607	2.8
199.14876	0.7
203.07040	36.3
215.21242	0.8
243.10265	3.0
281.08167	0.7
307.74115	0.6
309.11276	0.9
351.12222	2.1
368.42462	3.8
369.13330	12.2
369.20377	0.9
369.27911	2.8
369.43002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01878	0.8
55.05506	0.9
57.07070	0.5
60.08152	0.7
65.03932	1.7
67.05487	2.2
69.07060	1.4
71.58568	0.7
79.05497	5.0
81.07056	3.2
82.04216	0.6
83.05019	0.5
87.67294	0.4
91.05473	2.9
93.03411	0.8
93.07039	2.1
95.04977	1.3
95.08607	2.0
97.06538	15.0
105.07035	1.8
107.04967	5.5
107.08588	1.3
109.02893	1.1
109.06509	1.0
109.10181	1.6
111.04402	0.6
111.08097	2.9
117.07034	0.7
119.08586	1.6
121.06510	0.5
121.10203	0.7
123.04453	0.5
123.08097	0.6
124.05188	0.9
125.05992	6.2
125.50830	0.5
128.06165	0.5
129.07034	0.9
131.04922	0.5
131.08549	0.7
133.10097	1.1
135.04454	3.3
137.05972	1.4
138.06773	10.1
139.07552	6.4
143.08565	0.6
145.10126	0.9
147.11708	0.6
149.05992	1.4
151.03902	2.0
155.08609	0.5
157.10239	0.5
161.02328	1.5
161.06056	0.6
167.07050	100.0
168.07388	1.0
168.17805	0.5
169.10086	0.5
175.07423	0.6
193.04941	0.5
203.07042	28.5
203.17915	0.9
243.10208	1.3
327.07828	0.7
368.42575	2.0
369.13263	7.1
369.24084	1.5
369.42917	0.7
382.59650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1336
Annotation	Massarinin A
Peak:m/z	Relative Intensity
53.40590	1.3
55.01859	1.6
55.05500	2.5
65.03944	1.9
66.11513	1.2
67.05496	3.5
69.07080	7.7
69.96937	2.8
69.97323	5.6
77.03940	1.6
79.05498	5.8
81.07067	13.0
83.04966	1.1
83.08611	1.3
83.80869	1.4
91.05488	17.6
93.07043	3.4
95.01344	2.3
95.04971	2.0
95.08614	7.7
105.03415	2.6
105.07040	39.2
107.04947	2.9
107.08585	4.9
109.06518	4.4
109.10162	3.6
111.04446	2.2
117.07017	4.3
119.01328	2.4
119.04960	2.8
119.08576	5.7
121.06482	5.2
121.10143	2.0
123.08064	1.9
129.07005	6.4
131.04922	2.2
131.08563	4.4
133.02869	22.6
133.06523	2.7
133.10118	2.5
135.00758	4.6
135.04422	3.4
135.11662	1.8
136.01555	8.8
137.05975	2.2
137.13252	4.1
139.03780	1.2
139.07515	2.4
141.07095	1.4
143.08575	3.0
145.10146	2.9
145.13463	1.2
147.04515	1.5
147.08028	3.9
147.11646	1.3
149.02359	5.5
149.05989	7.3
150.03186	1.5
151.03917	56.0
152.04245	1.5
155.08510	2.0
157.06427	1.9
159.11765	2.5
160.05247	2.0
161.02367	20.3
161.06020	3.1
161.13191	1.6
163.03949	2.6
165.05501	4.1
165.09183	1.5
167.03374	1.3
167.07088	5.7
175.03970	2.4
175.07581	4.4
175.14804	1.8
179.03398	1.3
181.10138	2.8
185.06020	5.0
185.09679	1.4
187.03877	3.8
193.04988	94.3
194.05267	1.5
197.06151	1.2
201.05479	3.1
203.07042	100.0
203.14346	1.7
203.17845	1.1
205.12276	2.2
209.09572	1.4
215.07039	2.3
221.15439	2.3
227.10797	6.6
229.08730	1.5
235.07509	1.7
241.12262	4.2
248.08272	1.5
277.08533	2.8
289.05121	1.8
291.10211	2.2
295.09570	5.4
295.17026	2.6
301.08664	2.1
304.07288	5.2
309.11151	1.3
319.09601	15.2
336.09973	1.3
337.10812	10.1
351.12262	38.6
351.23279	8.2
369.13269	5.1
369.24261	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01875	1.5
55.05499	1.2
55.23423	0.2
57.07074	0.3
59.05000	0.3
65.03948	1.9
67.05508	4.5
69.03413	0.3
69.07042	0.8
69.70142	1.6
78.57401	0.2
79.05054	0.4
79.05496	6.8
81.03423	0.5
81.06641	0.3
81.07069	2.9
82.04200	0.4
82.17776	0.3
83.04961	0.4
83.08590	0.8
91.05489	3.7
93.03393	1.0
93.07041	1.7
95.04952	1.1
95.08612	1.6
96.05736	0.3
97.06535	14.1
97.10155	0.9
101.86584	0.3
105.07050	1.9
106.04180	0.4
107.04968	5.9
107.08590	1.8
109.02856	0.5
109.06526	1.0
109.10167	1.9
111.04445	0.7
111.08099	2.5
117.07040	0.5
119.08607	1.6
121.02821	0.3
121.06508	1.0
121.10150	0.7
123.04415	0.6
123.08032	0.3
123.11771	0.3
124.05202	0.9
125.05998	6.8
125.09593	0.5
128.06218	0.3
129.07018	0.7
131.08583	0.6
133.02885	0.5
133.06581	0.3
133.10130	0.4
135.04428	4.0
135.11702	0.8
137.05956	1.6
137.13348	0.2
138.06766	9.9
139.07547	6.5
143.08473	0.3
145.10136	0.6
147.04428	0.4
147.08035	0.9
149.02373	0.6
149.05986	1.1
149.07098	0.3
149.13391	0.3
151.03906	1.5
152.04616	0.6
155.04770	0.3
157.10219	0.4
159.11646	0.5
161.02377	1.7
161.05974	0.4
163.03909	1.2
165.05566	0.5
167.07048	100.0
168.07401	0.8
169.10129	0.3
173.13281	0.3
175.03931	0.4
175.07486	0.3
185.05962	0.7
185.13182	0.3
187.07579	0.3
193.04993	1.8
203.07040	34.1
204.07379	0.5
207.06514	0.4
227.10796	0.3
232.96581	0.4
241.19492	0.4
243.10252	1.1
277.21722	1.5
281.08197	0.3
351.12302	0.3
351.25653	0.5
369.13254	7.4
369.24026	1.3
369.28296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	Massarinin A
Peak:m/z	Relative Intensity
53.03941	0.7
55.01873	1.3
55.05512	1.5
57.03421	0.5
57.07052	0.3
61.88251	0.3
65.03943	1.7
66.01060	0.3
67.05508	5.2
69.07053	0.8
69.80727	1.6
79.05051	0.5
79.05497	7.3
81.03407	0.7
81.07055	3.0
82.04185	0.5
83.04984	0.4
83.08630	0.4
85.06546	0.3
85.70760	0.3
91.05480	2.2
93.03392	0.9
93.07059	1.8
95.01293	0.3
95.04982	1.3
95.08605	1.4
95.92032	0.3
97.06535	15.6
97.10164	0.8
103.34665	0.3
105.07039	1.2
106.04156	0.4
107.04961	5.3
107.08583	2.1
108.05695	0.3
108.14092	0.3
109.02863	0.5
109.06506	1.2
109.10160	2.0
111.04424	1.0
111.08084	2.8
117.07052	0.4
119.08581	1.1
121.06500	1.2
121.10141	0.8
123.04436	1.1
123.08079	0.5
123.11681	0.4
124.05200	0.8
125.05994	6.3
125.09629	0.7
129.06984	0.5
131.08580	0.6
133.02788	0.3
133.10124	0.8
135.04428	4.1
135.08138	0.3
135.11711	0.7
137.06001	1.8
138.06763	9.3
139.07549	6.4
143.08568	0.4
145.10089	0.4
147.04315	0.3
147.08063	0.7
147.11702	0.7
148.24477	0.3
149.02344	0.8
149.05956	1.0
149.13280	0.5
151.03947	1.6
151.04945	0.3
152.04666	0.6
159.11722	0.7
161.02324	1.9
161.05994	1.0
161.13245	0.4
163.03906	0.8
165.05521	0.3
167.07045	100.0
168.07367	1.1
173.13327	0.3
175.03952	0.3
175.07523	0.7
185.05981	0.8
189.11325	0.4
193.04990	1.5
203.07037	33.7
204.07420	0.5
227.12840	0.6
243.10229	0.9
258.51495	0.3
259.20572	0.5
277.21564	1.5
327.11908	0.3
350.42947	0.3
351.25363	0.9
369.13275	7.2
369.24313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	5,4'-Dihydroxy-5''-(1-hydroxy-1-methylethyl)-4''-methoxyfurano[2'',3'':7,6]isoflavone
Peak:m/z	Relative Intensity
55.05510	1.4
56.96567	1.3
60.31281	0.8
62.26074	0.7
64.69907	0.7
67.05496	2.0
67.26077	0.7
69.03435	0.9
69.07084	1.8
71.06879	1.2
71.07186	0.8
72.97061	0.8
79.05505	4.7
81.07063	12.9
85.02902	1.6
91.05510	3.5
93.07047	1.9
95.04957	1.9
95.08624	1.5
97.06526	0.9
105.07032	2.0
107.04987	0.9
107.08582	0.8
109.06506	9.5
109.10147	1.0
109.89787	0.7
117.07021	0.9
117.66470	0.7
119.04968	1.6
119.08595	1.5
121.06482	0.9
123.08075	0.7
128.06256	0.8
129.07030	1.1
131.08586	0.8
135.04424	2.3
137.05981	1.0
147.04448	1.1
157.06584	1.1
159.08047	1.1
161.06020	2.1
165.07002	2.1
175.07562	2.4
177.05424	0.9
181.06451	1.2
182.07217	1.3
185.06082	1.0
187.07530	3.9
193.06450	0.8
197.06073	2.0
197.09575	1.7
199.07689	1.1
201.05482	1.2
202.07800	1.4
203.07065	3.0
207.06522	1.0
209.06027	1.2
210.06813	2.9
211.07478	3.8
212.08270	1.7
213.05508	1.0
215.07065	3.2
216.09399	0.7
219.08090	1.6
220.08905	0.8
221.05948	2.9
222.06799	0.9
223.07661	1.4
224.08321	1.6
225.05544	1.2
225.09135	7.8
227.07051	1.2
231.08150	1.7
234.06754	1.1
234.10439	1.0
235.07552	1.6
237.05479	5.0
237.09157	1.7
238.06174	1.6
238.09921	1.3
239.07019	2.2
240.07816	8.6
241.04965	1.1
243.06592	1.1
243.10216	0.8
245.09653	1.8
246.10431	1.3
247.07541	2.3
248.08310	1.8
249.09094	1.6
250.06227	2.1
251.07059	3.1
252.04205	1.1
252.07899	1.1
252.11670	1.3
253.08583	14.1
255.06412	1.7
257.08026	0.9
259.11258	1.1
262.09958	4.8
263.07108	0.9
263.10648	2.6
264.07916	1.3
264.11359	1.1
265.04956	1.7
265.08646	3.7
266.05777	2.7
266.09229	0.7
267.06485	4.0
267.10114	1.5
267.13770	1.8
269.08209	1.6
274.09946	2.3
275.07104	1.9
276.08032	0.8
277.08618	2.4
277.12204	4.0
279.06607	1.1
279.10107	1.6
280.07303	15.1
280.10861	2.1
281.08118	10.9
281.11386	1.9
287.10690	1.0
290.09323	4.3
291.06863	1.1
291.10165	3.1
293.08096	9.6
294.08844	2.9
295.06180	1.6
295.09674	3.3
295.13342	5.1
300.07947	1.1
303.06506	7.1
305.11841	6.8
307.09723	5.2
308.07129	1.3
308.10379	4.3
309.11246	2.4
311.09006	0.9
315.10156	2.0
317.08008	1.2
318.08856	4.3
321.07672	5.5
322.11975	1.2
323.12802	46.2
324.13205	1.4
333.11234	14.5
336.09915	8.0
337.10663	0.9
341.13971	4.7
351.12289	42.9
352.12604	1.2
369.13354	100.0
369.29291	3.7
370.13693	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	5,4'-Dihydroxy-5''-(1-hydroxy-1-methylethyl)-4''-methoxyfurano[2'',3'':7,6]isoflavone
Peak:m/z	Relative Intensity
55.01860	0.5
55.39603	0.3
57.03441	2.3
64.74892	0.3
67.01866	1.9
67.05505	0.5
71.32449	0.6
71.48045	0.2
79.05496	1.1
81.07079	1.4
85.02899	0.3
91.05473	0.6
93.07027	0.3
99.04459	1.6
105.07021	0.5
107.04952	0.7
109.06522	1.0
113.88065	0.2
115.05501	0.3
117.07027	0.7
123.08023	0.3
127.03917	1.3
128.06226	0.4
129.06998	0.6
131.04948	0.5
131.08621	0.3
133.02855	0.3
135.04398	0.7
136.05121	0.3
141.07007	0.6
145.06494	3.7
147.04430	0.3
153.06989	0.3
154.07788	0.4
155.04904	0.5
155.08658	0.3
157.06567	0.4
159.04437	0.4
159.08055	0.8
159.11736	0.3
160.05235	0.4
161.02367	0.4
161.05956	0.9
165.01924	0.7
165.07010	0.4
167.07103	0.4
167.08665	0.3
169.06396	0.3
169.10118	0.5
171.04381	0.5
173.06010	3.3
175.03906	0.6
175.07501	0.3
178.07800	0.5
179.08560	1.0
181.06540	0.6
182.07283	0.7
185.06068	1.3
185.07491	0.3
186.06769	0.4
187.03886	1.3
187.07524	0.8
187.11227	0.9
189.05428	0.3
191.61023	0.3
195.08025	0.8
197.05962	0.6
197.09642	1.6
198.06750	0.3
199.03923	1.2
199.07642	0.3
200.04680	0.4
201.05470	2.6
201.09175	0.6
203.07048	7.1
205.06590	0.4
207.08028	0.5
209.09589	0.3
210.06781	1.0
211.07518	0.6
213.05562	0.5
213.09062	0.3
215.03378	2.4
215.07059	0.6
215.10669	2.3
221.06102	0.3
221.09563	0.4
223.07544	0.8
225.09140	1.8
226.06210	0.6
227.03444	1.8
227.07085	0.9
229.04984	0.4
235.07629	0.6
237.05522	0.7
241.04971	0.4
243.06569	0.8
243.10185	3.9
245.04527	0.3
249.09068	1.2
250.06297	0.4
251.07065	4.6
252.07805	0.8
252.11554	0.4
253.04929	0.4
253.08711	0.5
254.05928	0.4
262.10052	0.4
263.10648	0.4
265.08704	0.7
266.06067	0.5
266.09378	1.4
267.10153	3.3
269.08105	4.2
275.06921	0.4
276.07700	0.4
277.08618	0.5
279.06451	1.4
279.10025	0.4
280.07504	0.4
280.10992	0.5
281.08047	0.6
281.11493	0.3
287.09161	4.6
290.09406	0.9
291.10141	1.0
293.08041	4.2
294.08728	0.4
295.09650	0.7
301.32019	0.3
305.12079	0.3
307.09698	1.0
308.10458	2.4
309.07599	0.9
309.11261	3.0
311.09155	0.5
319.09747	0.6
321.07608	4.0
321.11191	0.5
323.09174	1.3
323.12866	1.2
333.11246	3.3
335.09183	1.4
336.09875	2.3
337.10522	0.5
351.12289	32.8
352.12665	0.8
369.13345	100.0
370.13733	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	369.1332
Annotation	Massarinin A
Peak:m/z	Relative Intensity
53.03955	1.2
55.01871	0.4
55.05532	0.3
57.03442	6.5
57.03698	0.5
65.03950	0.9
67.05495	1.6
70.04071	1.0
70.04464	0.5
75.02808	0.3
79.05498	12.1
81.03426	1.7
81.07062	2.3
85.02902	0.4
91.05466	3.0
93.03413	1.0
93.07084	0.6
95.04974	1.5
97.06549	1.1
99.04475	1.8
105.03419	0.4
105.04547	0.5
105.07040	0.8
106.04181	0.8
107.04971	5.6
107.08613	0.5
107.83786	0.3
109.02901	2.0
109.06526	6.7
111.04440	0.5
111.08083	4.2
115.53455	0.3
117.07070	0.5
119.04909	0.3
119.08611	0.8
121.02945	0.4
121.06517	1.0
123.04423	1.0
125.06007	1.4
128.31912	0.4
129.07024	0.9
131.08591	0.5
133.02852	1.7
135.04427	3.4
137.05994	2.6
138.06767	0.5
139.07547	27.0
145.06535	0.4
147.04451	0.4
147.08052	1.7
149.02338	3.1
149.05914	0.5
150.03072	0.3
150.80556	0.3
151.03938	1.0
156.86345	0.3
157.06526	0.7
160.05136	0.5
161.02348	5.4
161.05962	1.9
163.03926	0.6
165.05473	2.2
167.03461	2.1
167.07054	21.8
168.07433	0.6
169.10175	0.5
175.03940	1.0
175.07538	1.1
177.05467	0.8
181.06497	0.5
185.05962	3.0
187.03850	0.8
193.04953	6.1
193.06677	0.4
203.07040	100.0
204.07423	1.4
205.04910	1.0
225.09088	0.5
238.46645	0.4
241.08626	1.2
243.10176	16.4
251.07076	0.4
267.10126	0.7
269.08096	4.4
281.11551	0.4
291.09918	0.4
295.09656	1.2
309.11209	5.3
312.09189	0.4
313.09830	0.8
323.62076	0.6
337.10672	1.1
341.13797	2.4
369.13226	12.0
370.13748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1184
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03943	0.7
55.01855	0.5
55.05502	0.6
55.89607	0.3
56.34349	0.3
57.03441	0.4
57.07051	0.4
61.02913	1.2
67.05486	0.8
69.03071	0.4
69.03431	4.6
69.07072	0.5
70.12951	1.0
71.04987	0.5
79.05489	0.6
81.03422	2.7
81.07056	1.2
83.04977	0.6
83.08636	0.6
85.02908	5.8
85.06530	0.5
87.04450	0.5
90.25730	0.3
91.03947	0.3
91.05482	3.1
93.07056	1.0
95.04974	1.2
95.08611	1.1
97.02896	2.3
97.06527	0.4
99.04436	0.8
105.07052	1.6
107.04971	0.5
107.08578	1.0
109.02871	1.3
109.06513	1.0
109.10153	0.4
117.07034	0.4
119.04942	2.5
119.08559	1.0
120.08107	0.8
121.10136	0.6
123.04453	0.5
123.08073	0.7
125.05930	0.3
125.09663	0.4
127.03928	2.0
131.08551	0.4
133.06491	1.0
133.10130	0.5
135.08061	0.4
137.05960	1.1
145.04967	1.1
145.10182	0.4
147.04393	2.6
147.11671	0.5
151.07553	1.2
159.11696	0.6
164.04695	2.9
175.03909	4.8
175.08591	0.4
176.08987	0.3
179.07036	0.4
179.10674	0.4
189.12794	1.4
192.04187	4.3
207.06538	100.0
207.13811	2.4
208.06943	1.6
222.09373	0.4
249.14848	0.8
285.07190	0.3
291.10287	0.5
305.07678	0.4
315.08640	0.9
351.11221	1.2
369.13235	1.7
369.18607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42366	0.4
55.05511	3.4
56.05016	0.7
58.06585	0.9
67.05508	0.6
69.03426	0.6
69.43494	1.1
69.43913	2.7
71.04998	0.6
72.04516	0.7
72.08157	3.6
73.06554	0.6
74.46346	0.5
79.05466	1.8
83.04534	0.6
83.04986	7.3
84.08126	2.0
85.06540	1.6
85.08908	1.5
87.08106	1.1
89.03922	7.9
91.05480	0.6
95.04977	0.6
97.06533	0.8
98.09666	1.8
100.07603	1.0
101.06062	2.5
102.05542	6.3
102.09178	4.3
107.04983	2.6
110.09703	1.0
111.04430	1.2
115.07563	2.1
116.10702	0.7
117.02615	0.8
117.03394	12.8
125.05981	0.9
128.09784	1.0
128.10725	17.1
129.05461	0.5
135.04424	22.7
143.07098	2.7
145.02852	18.5
145.03992	0.9
147.04378	0.6
156.10217	15.0
160.13327	7.5
163.03911	100.0
164.04231	1.3
165.90259	0.5
174.11264	17.2
177.05449	0.6
188.12830	11.4
205.80942	0.5
206.13884	64.3
207.14180	1.1
325.13153	0.5
336.14487	1.7
352.42990	0.5
368.12735	0.9
368.17078	16.4
368.21500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1183
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
53.03956	3.2
55.01870	5.2
56.96572	2.4
57.03437	3.4
61.02920	3.0
65.03928	1.7
67.05505	1.9
68.99789	5.7
69.03424	13.0
70.06602	2.0
71.04987	2.9
71.12801	3.0
72.08159	2.2
73.02911	3.3
77.31673	1.2
79.05479	6.5
81.03419	11.2
81.07059	1.6
84.08172	2.3
85.02905	25.7
87.00842	10.6
89.03920	3.4
91.05482	16.1
93.07043	6.0
95.04961	3.3
95.08611	1.7
97.02908	5.7
97.74135	1.2
98.97575	2.9
99.04483	3.0
103.03979	7.4
103.05478	5.2
105.01855	2.6
105.07030	12.3
107.04959	3.8
107.08577	10.2
109.02891	7.8
110.06034	2.3
115.05457	9.1
117.03399	5.7
117.07022	31.5
119.04948	4.6
119.08602	3.2
121.02893	2.2
121.06517	18.3
124.07556	1.6
126.05541	1.6
127.03920	13.4
128.06242	2.9
129.01857	4.6
129.07013	3.2
131.04927	2.3
131.08595	2.4
133.06493	18.3
135.08057	24.5
136.07593	13.6
137.05939	1.6
141.06960	2.6
144.05717	3.3
145.02859	12.1
145.06494	43.6
145.07651	2.7
145.10208	2.2
147.03040	2.5
147.04424	5.3
147.08028	4.9
147.11737	2.0
149.05966	9.5
151.07567	7.0
153.07045	2.1
155.06013	3.3
155.08560	3.8
157.06512	8.9
158.07310	4.6
159.08032	8.2
161.06003	4.7
162.09280	1.5
163.07555	100.0
164.07043	24.5
165.05490	1.3
165.06985	3.1
169.06425	2.1
171.02945	1.7
173.09608	2.2
175.03972	7.2
175.07532	7.8
177.05463	18.3
179.07065	1.7
182.08131	16.5
183.08058	6.1
185.05978	2.8
185.07520	1.4
187.07574	13.2
189.03915	3.0
201.09117	4.5
203.07018	1.6
207.06415	12.5
207.13937	1.6
208.09709	3.3
211.07545	6.3
217.08743	1.9
229.08580	15.0
247.09662	2.7
268.08331	1.3
283.11816	8.6
319.12891	2.0
333.14581	1.6
351.10938	3.7
365.05740	1.7
369.11832	5.9
369.15692	2.9
369.20840	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	368.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10212	0.3
57.03428	1.0
61.02932	0.8
69.03423	2.5
70.06589	0.6
71.01767	0.4
71.02096	0.6
77.97695	0.5
78.51349	0.3
79.29082	0.3
81.03433	1.0
85.02904	7.1
91.03983	0.4
93.31382	0.4
97.02887	2.0
99.04457	0.8
109.02878	0.8
113.39322	0.4
127.03922	1.2
132.04449	9.9
140.84773	0.4
143.60536	0.3
145.04987	1.1
160.03925	1.0
165.63420	0.4
178.04994	67.8
179.05325	1.0
206.04483	100.0
207.04836	1.6
212.34546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.4
55.01883	6.7
55.05511	19.8
57.07063	10.6
57.77142	5.8
65.03932	6.8
67.05509	47.1
69.03421	9.4
69.07082	27.9
69.76628	20.0
69.77058	14.5
71.05002	6.9
79.05505	32.2
81.07063	59.1
83.04984	6.5
83.08614	6.0
85.06541	10.6
85.16229	5.0
86.03729	5.8
91.05482	89.7
93.07048	71.1
95.04967	41.0
95.08606	58.5
97.06522	13.7
105.07038	90.1
107.04963	6.8
107.08600	51.1
109.06517	13.3
109.10149	38.7
117.07037	24.8
119.08592	89.3
121.06517	10.7
121.10139	43.6
123.08054	5.4
123.11705	20.0
128.06226	9.4
129.07011	21.5
130.07780	10.8
131.08577	49.3
133.10130	60.6
135.08044	15.5
135.11711	18.1
137.09625	8.3
141.06989	9.8
142.07806	14.2
143.08583	37.2
145.10120	61.9
146.07254	5.5
147.04446	9.9
147.08034	12.4
147.11676	25.1
149.02361	12.3
149.09622	14.8
151.07558	6.6
155.08557	22.7
156.09380	16.5
157.10138	54.3
159.08032	6.7
159.11707	34.1
161.09628	42.2
161.13278	7.5
163.03882	4.9
165.06970	8.8
169.10162	17.2
170.10864	7.1
171.11681	25.5
172.12384	7.6
173.09691	7.6
173.13232	27.0
175.11107	11.6
175.14793	20.9
177.05550	5.2
179.08493	12.1
181.10098	9.2
183.08115	7.0
183.11732	27.3
185.09651	5.8
185.13239	15.5
187.14850	10.0
189.09230	7.0
189.12750	6.1
191.07069	22.0
191.08620	5.3
192.07811	18.2
194.10947	8.7
195.11746	14.9
197.13182	10.8
199.14789	16.8
201.09151	10.2
201.16405	5.2
203.07005	15.5
207.06532	26.2
209.13254	19.9
211.07512	6.0
211.14755	8.1
213.12770	10.6
213.16292	9.1
221.13460	5.9
222.92686	6.1
223.14690	6.8
225.16438	6.6
227.10660	13.6
227.14346	12.8
229.08646	18.1
239.17935	11.7
251.07100	13.9
255.17514	8.4
265.19467	7.2
269.08295	6.4
284.21481	6.2
311.09149	33.7
321.11090	8.4
339.15945	12.0
349.25220	7.8
367.11554	39.8
367.15372	100.0
367.22345	9.4
367.26334	12.7
367.30432	10.0
372.83548	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
55.05515	23.2
57.07089	7.5
63.41784	3.1
65.03938	4.3
66.93919	2.9
67.05505	39.2
68.86445	2.9
69.03425	7.8
69.07080	26.1
71.04976	10.2
79.05495	40.1
81.07062	43.1
83.04971	8.0
83.08595	8.6
85.06501	3.5
91.05485	100.0
93.07050	72.5
95.04991	34.8
95.08603	51.9
97.06517	12.2
97.10204	3.4
98.21564	5.3
103.05477	7.7
105.06384	6.2
105.07035	87.0
107.04948	5.6
107.08612	54.8
109.06511	17.2
109.10166	45.2
111.08061	6.0
115.05437	7.7
115.46416	3.2
117.07038	23.8
119.07790	5.8
119.08591	91.4
121.06482	11.5
121.10154	38.6
123.08068	6.3
123.11700	12.4
125.09585	3.9
128.06215	15.8
129.07010	13.2
130.07779	10.9
131.08571	49.8
133.10146	49.2
135.08081	16.3
135.11716	25.1
137.09618	4.1
141.06979	7.5
142.07764	19.1
143.08578	40.8
144.09361	5.9
145.10152	57.6
147.04398	4.8
147.08037	12.5
147.11697	20.6
149.02371	6.1
149.09627	16.2
149.13226	5.0
151.03882	3.8
155.08543	14.4
156.09334	10.0
157.10147	52.6
158.10898	4.4
159.08049	5.9
159.11699	35.4
161.09634	37.6
161.13292	7.9
163.14847	3.8
166.07777	3.6
167.03419	5.3
167.08597	9.5
168.09325	3.8
169.10112	17.3
170.10880	10.2
171.11705	27.2
172.12502	5.7
173.09608	12.2
173.13283	28.4
175.11128	11.0
175.14775	17.5
177.97322	3.3
179.08549	10.2
180.09305	4.2
181.10129	13.5
182.10887	6.9
183.11754	19.2
185.09557	4.7
185.13249	12.3
187.03900	6.5
187.14784	7.4
191.07042	6.9
192.07817	4.2
193.10152	4.9
195.11784	16.8
196.12456	6.5
197.13248	13.6
199.14767	12.5
201.09029	6.5
201.12823	6.0
201.16338	7.0
203.07028	11.0
207.06497	7.2
207.11665	7.4
209.13306	19.6
211.11020	3.9
211.14761	7.3
213.12767	6.8
213.16273	7.4
223.14966	3.9
225.16321	5.7
227.10716	5.5
227.14227	16.7
229.08772	5.2
237.09216	3.8
237.16240	5.5
239.17969	5.9
242.90660	3.2
251.07004	14.4
251.18086	4.2
253.08574	6.4
253.19666	4.2
255.17253	5.5
260.15579	4.5
267.10147	12.1
269.08035	4.3
269.19009	4.0
283.20566	6.1
293.19098	3.6
311.20001	3.6
321.11218	5.9
335.09210	4.6
349.14395	7.7
349.25458	9.6
349.76669	3.4
367.11493	31.4
367.15747	25.5
367.26508	17.6
367.30255	6.7
385.10858	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.6
55.01871	10.1
55.05502	28.1
56.96558	22.9
57.03437	42.3
57.07080	8.2
65.03936	6.9
67.05512	71.3
69.03419	14.2
69.07060	36.6
71.04988	11.9
73.13430	4.9
79.05500	60.7
81.03431	8.7
81.07059	86.1
83.04954	9.1
83.08613	10.7
85.06545	11.5
91.05493	73.4
93.07047	72.3
95.04964	16.9
95.08620	70.1
97.06537	15.2
97.10154	5.2
98.97601	9.7
99.08094	5.6
105.07038	71.8
107.04945	13.7
107.08610	57.4
109.06513	37.7
109.10149	34.0
111.08069	11.9
117.07015	20.4
119.08596	59.1
121.06506	13.6
121.10151	37.2
122.62051	5.8
123.08054	9.7
123.11716	6.4
125.09612	10.7
128.06293	6.7
129.07016	7.8
131.07043	12.6
131.08568	35.3
133.10135	45.4
135.08037	15.9
135.11685	18.0
142.07742	5.7
143.08539	22.2
145.10146	44.1
147.08034	7.6
147.11710	27.4
149.09648	18.8
149.13214	9.7
151.11180	6.5
155.08615	13.5
157.10115	17.4
159.08109	6.4
159.11696	36.2
161.05945	6.2
161.13228	9.4
163.11174	10.4
165.01836	5.4
169.10109	8.3
171.11604	7.0
173.13255	21.1
175.14838	9.8
177.05548	5.9
177.12784	11.7
185.05920	9.7
185.13269	22.1
187.11209	6.0
189.09178	8.3
189.16452	8.1
191.07095	25.1
191.14290	6.8
192.07846	11.7
197.13210	9.5
201.16379	14.5
202.48006	5.5
203.03407	7.7
203.14317	14.3
205.12303	5.3
205.15880	5.6
211.14700	5.7
213.05464	5.7
219.17436	68.2
227.07172	6.0
239.17984	17.2
257.19025	26.9
265.15982	5.2
275.20071	100.0
281.07977	7.4
283.06125	31.2
284.06473	5.2
289.64105	5.6
293.21136	9.7
295.06161	7.6
296.03317	7.8
297.07379	6.8
298.04605	6.6
298.08032	6.2
309.07700	7.9
311.05490	15.9
312.05972	6.6
313.07184	8.5
313.10672	12.5
330.04727	5.4
331.04022	9.9
335.09155	13.6
337.07037	8.0
340.04199	11.0
340.54440	10.7
341.10101	14.8
346.05954	22.3
346.56412	9.9
348.05502	7.1
349.23834	43.2
350.56058	6.8
351.06052	7.8
352.09113	13.3
355.06610	35.1
355.56787	16.6
359.05759	5.9
367.11664	66.6
367.15414	7.7
367.24792	19.4
367.28891	36.1
369.02847	6.3
371.05981	19.0
385.06030	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	367.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01880	2.5
55.05516	1.4
55.11964	0.3
55.72579	0.4
56.96570	2.1
57.07071	0.5
65.03945	1.6
67.05515	3.5
68.99815	0.4
69.07070	3.0
71.04988	0.7
71.56123	0.4
78.83224	0.3
79.05504	2.7
81.07072	6.5
83.04987	0.6
83.08633	0.5
84.96039	1.4
85.02956	0.6
85.06573	0.6
91.05489	100.0
92.05841	1.0
93.07056	4.3
95.04987	0.9
95.08604	3.6
95.25829	0.4
97.02921	0.7
103.05435	0.5
105.03394	0.4
105.07037	8.6
107.04987	0.7
107.08602	4.2
109.06539	1.4
109.10181	3.9
111.11742	1.2
117.07031	0.9
119.08591	2.4
121.06501	1.1
121.10175	1.4
123.04436	1.7
123.08073	0.5
123.11712	10.6
125.09641	1.4
128.06224	0.6
129.07001	1.1
131.01375	0.4
131.04929	0.4
131.08578	0.7
132.37595	0.4
133.10150	1.1
135.04465	0.7
135.11710	5.4
136.05287	0.5
137.05995	0.6
137.09622	0.5
141.01836	1.1
141.07054	0.6
143.08556	1.8
145.06531	0.6
145.10112	0.7
147.04424	1.4
147.08015	1.0
147.11717	0.8
148.05211	0.6
149.01289	0.5
149.02374	5.8
149.06012	1.0
151.03967	0.6
151.07552	0.9
151.11102	0.4
153.07024	0.5
155.08545	1.2
157.10121	0.8
159.08089	0.7
159.11702	0.9
160.05281	0.4
161.05974	1.1
161.13234	0.6
163.03903	0.4
163.07600	0.8
165.01852	15.2
165.06998	0.5
166.07828	0.9
167.03438	8.9
167.08609	1.3
171.08070	0.5
171.11732	0.6
173.09616	0.6
175.07570	0.6
176.04706	0.6
177.05498	1.6
177.12695	0.5
179.07072	0.5
180.08768	0.4
181.10211	2.4
183.02910	9.0
183.11659	0.4
185.06148	0.4
185.09601	3.1
185.13286	0.5
189.09157	1.5
191.07030	4.6
191.08566	0.5
192.07864	4.3
195.08035	0.5
199.11203	1.5
201.09151	1.4
203.07059	1.1
207.06505	3.1
209.09657	1.8
211.07585	1.0
213.09148	0.8
215.10721	0.4
225.09149	0.4
226.09480	0.4
227.10684	66.5
228.11012	0.8
229.08672	3.8
235.04549	0.8
241.12279	0.6
243.06520	0.9
251.07137	0.6
251.10623	0.7
253.12273	0.4
255.13731	0.4
257.08057	1.6
259.09787	0.4
269.08118	19.8
270.08533	0.7
275.14166	0.4
277.14719	0.7
283.06039	1.2
293.08307	0.6
295.15817	0.8
311.09225	0.7
321.11145	1.1
331.20627	0.9
337.10593	0.7
339.15894	1.2
349.14923	2.0
349.21631	12.2
367.11581	1.8
367.15323	12.2
367.22653	28.5
368.23068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2271
Annotation	4-Geranyl-3,5,4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
51.51102	0.5
53.03938	0.7
55.01872	0.7
55.05517	1.4
56.96566	0.9
65.03941	2.5
67.05506	4.3
69.07067	1.4
70.92989	1.6
79.05499	3.3
80.32600	0.5
81.03431	0.7
81.07067	5.0
85.06561	1.0
91.05485	100.0
92.05799	0.7
93.07045	6.0
94.65610	0.5
95.04999	1.5
95.08611	2.3
99.08091	0.6
103.05465	0.5
104.69394	0.5
105.07037	10.1
105.07684	1.0
107.04919	1.0
107.08614	3.4
109.06482	0.8
109.10166	8.6
117.06997	1.1
119.08609	1.1
121.06541	1.3
121.10176	1.3
123.04478	1.1
123.11694	1.4
125.09571	0.7
131.04944	0.8
131.08556	1.3
133.10107	0.6
135.04457	1.4
135.08040	0.7
135.11723	3.7
143.08556	0.6
145.06500	0.7
145.10155	0.7
149.02336	0.9
149.05984	1.7
151.07599	1.4
151.44533	0.6
153.12752	1.7
155.08577	0.9
159.08104	0.9
161.05954	0.7
161.09575	0.6
163.07567	1.8
165.01857	5.3
165.06976	0.7
167.03413	1.1
167.08464	1.0
174.06802	0.7
175.07599	1.0
177.05577	1.2
179.79662	0.6
181.10123	1.4
183.02916	3.2
185.06036	0.7
185.09753	0.9
187.07457	0.6
189.09111	1.2
191.07033	4.6
192.07805	1.6
199.07539	0.7
201.09146	2.3
207.06482	3.2
211.07651	0.8
213.09102	0.8
215.10699	1.0
218.06845	0.6
223.07629	1.1
227.10678	92.9
228.11009	1.3
229.08682	3.0
241.12247	2.7
251.07062	6.5
253.08681	0.8
257.07977	0.9
265.12085	0.8
267.13779	3.6
269.08072	6.2
283.06009	2.0
293.15335	1.8
321.11069	0.9
337.10498	0.8
339.15921	2.3
349.14151	2.8
349.21533	3.1
367.11682	1.5
367.15417	16.1
367.22781	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	367.2271
Annotation	2-Geranyl-3,5,4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
53.03945	0.5
53.73637	0.3
55.05518	2.0
57.07069	0.7
58.34367	0.4
59.05002	0.6
63.54517	0.3
65.03947	1.8
67.05529	2.0
69.07081	5.3
79.05493	2.1
81.06626	0.6
81.07061	4.0
83.08621	0.5
91.05486	100.0
93.07041	3.4
95.04951	0.6
95.08598	2.6
97.02898	0.4
97.06542	1.0
103.05473	0.7
105.07034	11.3
107.04948	0.6
107.08611	3.1
109.06518	0.6
109.10124	1.9
109.23388	0.3
111.11689	0.9
117.07009	0.8
119.08640	0.4
119.22909	0.3
121.06503	0.8
121.10133	0.8
123.04449	0.8
123.11707	4.9
129.07011	0.7
130.10995	0.4
131.04997	0.4
133.06621	0.4
135.11700	3.0
141.06985	0.6
143.08569	1.1
145.10178	0.4
147.04431	0.5
149.06013	1.4
151.07484	0.5
159.08058	0.6
159.11813	0.6
161.05998	1.2
161.09662	0.5
163.03925	0.6
163.07536	0.6
163.29332	0.4
167.03358	0.7
167.08574	1.1
174.06790	0.8
175.07646	0.7
181.10104	1.5
185.09677	1.5
187.07518	0.5
189.09058	0.4
191.07047	1.7
192.07851	1.2
199.11337	0.4
201.09119	0.8
203.07060	1.1
207.06541	1.6
209.09566	0.6
211.07494	0.6
213.09058	0.5
215.10757	0.6
226.09338	0.7
227.10680	91.7
228.10992	0.9
229.08682	1.3
241.12120	1.0
251.06921	1.1
251.10742	1.3
253.12175	0.6
265.12265	3.5
267.13776	1.8
279.13730	0.7
281.11542	0.5
281.15195	0.5
293.15466	2.8
309.18344	0.7
311.09097	0.5
349.21652	2.6
367.11670	2.0
367.15704	4.9
367.22433	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	367.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96547	0.5
55.05512	1.0
56.96568	25.7
57.03425	0.6
57.31456	0.5
58.28452	0.6
67.05508	1.1
69.07049	1.4
71.56170	1.0
71.94948	0.5
71.95273	4.5
72.96039	2.1
79.05501	3.6
81.07060	9.8
84.96029	1.2
91.05479	1.6
91.98102	0.5
93.07050	1.0
95.08594	1.6
97.06540	3.2
97.96793	1.6
98.97572	2.0
105.00140	1.1
105.07020	1.5
107.08607	0.8
109.10183	0.8
110.97572	5.5
115.97801	0.9
116.17328	0.6
116.98621	1.1
119.01703	0.8
119.08556	1.0
123.01178	0.6
127.00690	1.0
128.98604	3.8
129.02248	0.6
132.99640	0.6
133.10068	0.6
137.02730	1.7
143.00175	1.6
143.03856	0.7
145.10030	0.7
146.99661	1.2
151.00706	0.7
153.02242	0.8
155.00249	0.7
155.03793	1.4
157.10149	1.1
159.03285	0.9
161.09586	0.5
162.82559	0.5
167.03802	1.0
167.98952	0.6
169.01752	1.4
169.05341	1.1
171.03256	2.0
173.04843	1.0
175.02849	0.9
178.01382	0.6
181.05275	1.2
185.04906	2.7
189.04369	1.1
195.06938	1.5
199.02658	0.7
199.06419	4.7
203.05946	1.7
205.07492	2.9
209.04903	0.7
211.06477	1.4
213.07983	13.2
217.07492	4.0
223.02768	1.2
223.08339	1.2
223.10272	1.1
225.07916	3.4
227.09389	0.7
229.07478	6.3
231.09039	10.9
237.04295	1.1
237.08005	1.6
239.09476	3.7
241.11115	5.9
242.08443	0.9
243.09076	4.3
247.08565	3.0
251.09479	6.9
253.11093	1.1
255.09065	8.3
257.10666	2.7
259.12186	5.3
261.07745	0.7
261.10110	0.7
267.09186	0.8
269.10623	31.0
270.11206	0.7
273.10037	3.4
275.20044	1.0
278.10693	0.8
279.09000	2.2
280.09781	1.8
283.05923	1.0
287.11661	12.0
292.12201	1.6
297.10095	2.5
298.10992	1.2
307.15985	0.8
313.14474	0.7
315.11176	1.8
331.15793	10.4
335.05264	1.6
349.16867	17.8
367.17896	100.0
368.18311	2.7
372.18628	1.0
385.14352	1.0
385.19012	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67827	0.3
53.03942	0.8
55.01870	2.2
57.03436	1.8
57.07074	0.7
60.04522	0.4
61.02913	1.3
67.01843	0.3
68.99794	1.0
69.03432	11.1
69.42976	2.0
69.43375	0.5
71.04973	1.1
73.02914	1.3
79.01856	0.4
79.05483	0.6
81.02979	0.4
81.03422	5.6
83.05022	0.4
85.02909	25.5
87.00838	13.3
91.05495	0.5
93.07018	0.3
95.08623	0.5
97.02892	7.6
98.20679	0.6
99.00827	0.4
99.04459	2.7
105.01875	16.8
105.07045	0.5
107.44406	0.5
109.02886	6.6
109.10091	0.3
117.01878	0.3
119.04944	2.0
119.08578	0.4
119.10652	0.5
120.08121	0.6
121.02866	4.8
123.00783	0.6
127.03925	15.9
129.01819	0.5
130.06380	0.5
131.04962	0.4
137.02339	0.9
137.05981	0.4
141.01843	2.9
145.02798	0.4
145.04965	4.3
147.02893	0.4
151.07481	0.6
153.05431	0.4
159.02907	1.1
165.01839	23.4
171.11693	0.4
183.02902	5.9
189.03976	0.7
207.11333	0.4
208.11603	0.6
213.03941	0.7
231.05035	3.0
271.06036	3.7
283.06021	100.0
284.06366	3.2
287.05484	1.1
295.06149	0.4
296.06628	0.5
297.07748	0.4
311.09192	0.4
321.07394	0.5
339.08710	0.7
349.07193	0.8
358.53201	0.3
367.08096	6.6
367.15497	0.4
367.21332	0.6
386.89725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01878	3.7
55.05525	1.2
56.96592	0.7
59.05014	0.9
67.05507	2.7
68.99807	1.3
69.03439	1.4
69.07075	2.3
69.40801	4.4
76.52789	0.5
79.01862	1.1
79.05507	2.4
81.03433	1.5
81.07070	6.6
83.05011	0.9
83.08607	0.9
85.02898	0.7
85.06567	1.4
91.05489	13.2
93.07054	5.2
94.88319	0.6
95.04977	1.2
95.08609	3.0
97.02921	1.3
97.06542	0.6
99.00858	0.9
102.16271	0.6
103.05502	1.2
105.07045	18.0
107.04974	1.1
107.08598	3.5
109.06536	1.6
109.10187	3.4
111.08081	1.0
117.07024	1.2
119.08602	2.0
121.06543	2.6
121.10160	1.3
123.00776	1.5
123.08064	1.1
123.11730	3.5
128.06229	1.0
129.07016	2.2
131.04967	1.6
131.08592	2.7
133.06485	1.3
133.10118	2.0
135.04404	1.2
135.08104	1.4
135.11711	3.2
136.05301	0.7
137.02388	1.9
139.07585	0.9
141.01836	7.7
143.08598	1.6
145.06435	0.8
145.10130	2.1
147.04381	0.6
147.11687	0.7
148.27029	0.5
149.02376	1.1
151.07523	1.5
151.11198	0.9
155.08600	0.8
157.10086	0.9
159.08093	0.6
159.11656	1.5
161.09581	0.8
161.13316	1.1
163.07552	2.2
165.01849	100.0
166.02328	1.0
167.03360	0.7
167.08533	0.7
173.05989	0.6
173.13298	1.2
175.07539	1.2
176.04651	0.9
177.05504	0.6
177.12807	1.7
179.07011	0.8
181.10136	1.1
183.02902	46.6
185.09572	1.0
189.09030	0.7
191.07060	5.0
192.07820	2.6
201.09167	1.7
201.12721	0.9
203.07085	0.7
203.10655	0.8
207.06526	3.2
209.09598	0.8
211.14877	0.7
219.01509	0.6
219.13797	1.7
221.65573	0.6
224.08369	0.7
227.07053	2.6
227.10585	3.9
229.08565	3.7
241.12236	1.3
245.08116	0.9
251.06998	1.4
255.13840	0.8
263.09241	1.3
269.08105	94.1
269.15356	1.8
270.08536	1.1
275.10767	0.5
279.10278	0.8
283.05872	0.8
287.16382	1.2
293.15372	3.0
307.20663	0.8
311.09164	1.1
321.11096	1.2
331.20657	1.0
334.11682	0.6
339.15936	1.4
349.14307	1.2
349.21576	6.1
367.11652	2.3
367.15335	13.5
367.22617	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	367.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55864	0.5
52.80711	0.5
55.01636	0.4
55.01871	3.1
56.96564	0.7
58.88150	0.5
65.03902	0.5
67.05486	1.4
68.99783	1.5
69.07053	1.1
71.13336	1.1
79.05495	3.1
81.03389	0.9
81.07052	3.4
85.06528	1.3
91.05485	7.0
92.05815	0.6
93.03364	0.5
93.07057	2.7
95.04955	1.1
95.08611	1.2
97.02896	0.9
103.05450	1.6
105.04556	0.5
105.07043	3.1
107.04938	2.2
107.08544	1.0
109.02895	0.8
109.06505	1.7
109.10164	0.5
117.06983	0.8
119.04947	1.5
119.08563	2.1
121.06509	7.4
123.00775	1.2
123.04407	0.5
124.05222	0.5
125.05980	1.0
128.06200	1.6
129.07004	1.1
131.04936	2.1
131.08563	1.1
132.76399	0.5
133.02919	0.6
133.10120	1.3
135.04401	1.2
137.02295	1.5
139.03851	0.5
139.07550	1.9
141.01854	5.0
143.08563	1.7
145.06433	0.7
145.10104	0.9
147.04413	6.9
147.08029	8.1
148.05190	1.4
149.05943	4.0
151.03940	0.6
151.07568	1.4
152.04723	0.8
152.06200	0.7
153.05492	1.0
155.08467	0.7
157.06430	0.6
159.04411	1.2
159.08044	0.9
161.06012	4.5
161.09619	0.9
163.03830	0.6
163.07487	1.4
165.01839	57.7
167.07034	3.6
167.08463	0.9
170.07295	0.6
171.04376	1.5
171.08037	2.6
174.06758	0.9
175.07501	0.7
176.04701	5.3
177.05473	22.1
179.07016	1.1
183.02887	26.5
183.08142	0.6
185.05917	0.9
185.09586	1.2
189.09117	23.4
189.39589	0.6
191.07031	62.3
192.07811	100.0
193.08128	1.4
195.08119	3.2
197.06149	0.5
198.06842	2.6
199.07532	2.0
201.09053	1.9
203.07039	1.1
207.06520	4.2
211.07553	1.2
213.09111	12.2
214.09821	0.6
214.60483	0.6
214.78679	0.5
217.08516	0.9
221.05954	0.6
227.06969	1.7
227.10629	2.4
229.08635	4.7
244.06816	0.6
249.09393	0.6
251.07088	1.1
256.72342	0.5
259.09558	1.0
263.09195	1.6
269.08087	55.9
270.08377	1.1
277.08530	1.2
281.08206	0.6
283.06076	1.1
293.11697	0.7
299.09158	0.5
306.08789	0.7
307.13248	0.8
309.11090	0.5
311.09146	0.9
321.11261	3.7
324.09982	0.9
335.12698	1.1
336.13547	0.7
337.10522	2.2
339.12274	0.7
339.15860	2.4
349.14276	2.4
349.21317	0.6
352.00412	0.6
367.15405	44.1
368.15741	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1542
Annotation	3,4-Dimethoxylonchocarpin
Peak:m/z	Relative Intensity
54.64845	0.3
55.01867	0.8
55.05493	0.4
56.21878	0.3
57.07063	0.6
65.03938	0.8
67.05497	1.4
68.99789	0.4
69.07066	1.1
69.21712	0.8
69.22120	3.0
79.05483	2.5
81.07050	3.6
83.08605	0.3
84.08150	6.6
91.05492	4.8
91.06020	0.6
93.03411	0.9
93.07057	1.1
95.04975	0.8
95.08613	1.8
98.21532	0.7
103.05463	1.5
105.07040	2.4
107.04961	2.3
107.08617	0.8
108.05753	0.7
109.06514	2.4
109.10167	0.7
115.05457	0.9
117.07034	1.5
119.04967	2.6
119.05711	0.5
119.08589	1.0
120.05714	0.4
121.02872	0.5
121.06509	3.5
123.04448	0.5
123.08050	0.5
124.05190	0.5
125.06022	0.6
128.06233	1.0
129.06998	1.9
129.10252	8.1
129.11211	0.5
131.04927	5.7
131.08566	1.0
133.02858	0.9
133.06506	0.9
135.04390	2.3
135.08055	0.8
135.11778	0.4
136.05203	2.9
139.07532	1.4
141.06982	2.1
142.07762	1.4
143.08557	1.0
144.05736	0.5
145.06490	1.6
145.10121	1.5
146.03639	0.7
147.04419	5.9
147.08069	2.6
148.05212	4.0
149.02332	0.5
149.05980	1.2
151.03932	0.3
151.07553	10.8
152.04729	0.5
152.06250	0.8
153.05475	1.7
153.06937	0.8
154.06258	0.5
155.08554	4.3
157.06512	0.9
157.10135	0.9
158.07301	1.3
159.04393	1.9
159.08049	1.6
160.05196	0.4
161.05992	2.7
161.09564	0.6
163.03868	3.0
163.07559	7.3
164.04675	0.9
165.05643	0.4
165.07028	1.0
167.03439	0.6
167.07051	2.4
167.08592	1.5
168.05664	0.7
169.06496	0.7
170.07251	0.7
171.04398	0.7
171.08083	2.3
171.87872	0.3
172.05173	0.5
173.05978	2.1
173.09666	1.5
174.06764	1.0
175.03931	1.9
175.07539	1.1
176.04691	5.5
177.05479	4.8
177.09113	0.5
179.07054	5.6
179.08492	0.6
181.06474	0.5
181.08643	0.4
182.07201	0.4
183.08076	3.2
185.06012	1.6
185.09621	3.2
186.06779	1.6
187.03926	1.0
187.07576	3.1
189.09116	5.3
191.07040	33.9
192.04214	0.9
192.07831	17.2
193.04990	1.1
195.08072	2.6
197.06058	1.1
198.06760	1.9
199.07542	2.8
200.08281	0.4
201.05446	0.7
201.09117	16.5
203.07071	0.4
205.08565	0.5
207.06537	33.5
208.06827	0.4
211.07549	9.7
212.08148	0.3
213.05640	0.3
213.09119	8.1
214.06197	1.5
214.09810	0.5
217.08615	0.9
223.07523	0.4
224.08391	0.3
225.07397	0.4
227.07082	0.5
227.10623	0.9
229.08609	28.0
231.10229	1.1
235.07596	0.9
235.11151	0.4
237.09018	0.4
238.09993	0.3
239.06987	0.9
241.08527	1.5
245.09648	0.5
248.08417	0.4
249.09068	0.9
251.07043	2.3
252.07785	0.5
253.08699	1.0
257.08157	0.4
259.09668	0.7
261.09189	0.7
263.06964	0.6
263.10699	0.6
264.07779	0.4
265.08600	1.1
265.12317	0.3
266.09308	0.4
269.08109	1.1
275.10699	0.8
276.07904	0.5
277.08640	1.3
278.09354	0.7
279.06717	0.6
279.10159	0.8
279.13629	0.6
281.08154	0.9
281.11755	1.0
283.09631	0.4
289.08734	0.4
290.13049	0.7
291.10138	0.9
292.10791	0.8
293.08206	0.9
293.11707	1.8
293.14874	0.4
294.08960	0.6
295.09723	0.6
297.11288	1.0
299.09125	0.4
303.10092	0.7
305.08127	0.8
305.11548	0.6
306.08884	1.3
306.12265	0.5
307.10016	0.5
307.13400	1.1
308.10663	0.4
308.14099	0.7
309.07608	1.7
309.11255	2.0
311.09174	0.5
319.09738	0.7
319.13101	0.4
321.07651	0.7
321.11243	9.7
321.14832	0.6
322.08334	0.6
322.11740	0.5
323.12759	1.5
324.10040	1.6
324.13339	0.5
325.10760	0.5
335.12936	1.7
336.13605	3.2
337.10703	6.1
339.15952	14.0
349.14322	2.2
349.31223	0.6
352.12997	1.7
367.15424	100.0
368.15833	1.8
374.25378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1543
Annotation	trans-Tephrostachin
Peak:m/z	Relative Intensity
53.03939	0.5
55.01860	1.0
55.05515	3.2
56.96560	1.0
57.03429	1.3
61.00981	0.4
67.05502	3.7
69.03383	0.4
69.07050	1.3
71.08622	2.2
71.12543	0.5
74.63687	0.4
75.57759	0.4
79.05499	3.9
81.03387	0.5
81.07060	4.1
83.04974	0.7
83.08612	1.1
85.06542	1.8
91.05473	6.9
93.07076	2.6
95.04971	1.4
95.08621	2.2
97.06522	1.8
97.10164	1.0
99.08090	1.6
103.05474	0.6
105.03387	0.9
105.07031	3.0
107.04960	1.3
107.08582	2.8
109.06527	1.1
109.10150	1.6
117.07043	0.7
119.04921	0.8
119.08562	1.4
121.06460	0.9
121.10137	0.9
123.08087	0.6
123.11657	0.5
125.09628	1.4
128.06206	0.5
129.07016	1.3
131.04970	0.8
131.08609	1.0
133.10094	1.6
135.04381	0.8
135.08044	0.8
135.11717	0.5
141.06976	1.8
143.08548	0.7
145.10129	1.0
147.04405	0.7
147.08035	0.8
149.02371	0.5
151.07547	0.8
152.06155	2.2
153.06807	0.5
155.04924	0.6
155.08537	1.1
157.10094	0.9
159.11714	0.5
161.02399	0.5
161.05995	0.7
163.03877	0.8
163.07568	0.9
165.01840	3.9
165.06973	2.1
165.12712	0.7
167.08560	7.8
168.94099	0.4
169.06520	0.8
173.09541	0.5
175.03889	0.8
176.06134	0.4
177.05415	1.3
177.07019	1.9
178.07796	0.6
179.07004	0.6
179.08554	0.9
183.02914	1.7
185.09685	0.5
189.11185	0.7
190.02272	0.5
191.02309	0.6
191.07037	3.9
192.07808	2.3
195.08063	4.3
197.06004	8.5
201.09091	1.7
203.07066	1.1
204.07384	0.5
205.07831	0.6
207.06534	3.4
207.07993	0.4
207.11589	0.5
211.07591	1.5
213.09138	0.9
223.07539	10.4
225.09099	1.0
227.10664	2.5
229.08565	3.4
235.07550	3.0
239.06998	0.9
247.20607	0.5
251.07043	100.0
252.07394	1.9
253.08655	2.3
257.08099	0.9
265.08295	0.5
269.08093	11.9
275.20053	0.9
283.05984	1.0
289.12262	0.7
293.21185	3.8
307.09949	0.7
311.09158	0.5
321.11182	1.6
331.13260	3.8
339.16058	2.2
349.14346	36.6
350.14642	0.9
367.11090	3.0
367.15320	14.2
367.22269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1537
Annotation	3,4-Dimethoxylonchocarpin
Peak:m/z	Relative Intensity
53.03926	0.9
55.01866	2.2
55.05500	0.7
56.96567	0.8
59.05005	0.5
63.95247	0.4
65.03949	0.7
67.05478	1.5
68.99780	1.2
69.03407	0.5
69.07072	0.9
71.55914	0.6
79.05509	2.5
81.03424	0.5
81.07057	3.8
85.06530	1.2
91.05492	7.7
92.05777	0.5
93.03397	0.6
93.07037	2.9
95.04965	1.0
95.08597	1.4
97.02854	0.7
99.00784	0.5
103.05486	2.8
105.07050	3.0
107.04940	1.7
107.08606	0.9
109.06493	1.1
109.10056	0.7
111.08091	0.6
115.05424	0.5
117.07020	0.5
119.04934	1.7
119.08588	2.2
120.05724	0.5
121.02854	0.5
121.06519	5.3
121.10134	0.8
123.00806	1.0
123.08041	0.6
124.05222	0.7
125.06030	0.6
128.06207	1.3
129.07001	0.6
130.04156	0.4
131.04921	2.2
131.08560	0.8
133.10107	1.0
135.04431	1.6
135.11668	0.4
136.05145	0.5
137.02332	0.6
139.07538	1.7
141.01836	4.9
143.08531	1.2
144.05623	0.5
145.06474	0.6
145.10078	0.8
146.03618	0.6
146.07234	0.5
147.04424	8.7
147.08066	7.6
148.05190	1.5
149.05989	3.3
151.03937	0.5
151.07567	0.9
152.04721	1.1
153.05469	1.1
155.08563	0.9
157.06474	0.4
157.10158	0.8
158.07248	0.6
159.04407	1.3
159.05583	0.6
159.11719	0.5
161.05994	5.4
161.09578	1.5
163.03833	0.6
163.07549	1.9
165.01843	49.7
166.02267	0.5
167.03351	0.6
167.07042	3.1
167.08440	0.9
169.06482	0.6
171.04410	1.3
171.08080	3.1
174.06755	1.1
175.03931	0.8
175.07523	0.8
176.04721	4.8
177.05482	23.1
178.05780	0.5
179.07057	0.8
183.02905	26.3
185.05988	0.9
185.09637	0.9
187.07553	1.0
189.09119	24.1
191.07040	67.9
192.07822	100.0
193.08214	1.0
195.08096	3.6
197.05928	0.9
197.09537	0.4
198.06746	2.7
199.07588	2.6
200.08240	0.6
201.09209	2.6
203.07068	0.5
207.06500	4.3
211.07518	1.5
213.09119	12.6
214.09622	0.5
217.08479	0.8
227.07063	1.9
227.10640	2.4
229.08621	4.5
249.09126	0.6
251.07008	0.6
253.08879	0.5
259.09610	1.2
263.09232	1.4
265.08627	0.7
267.06598	0.6
267.10092	0.6
269.08109	49.2
270.08585	0.9
277.08545	0.6
283.05997	1.2
283.09314	0.5
289.12482	0.6
293.08206	0.5
293.11597	0.5
294.08868	0.5
305.08295	0.7
306.08871	0.7
307.13171	0.7
309.07520	0.5
309.11093	1.0
311.09094	1.9
321.11194	3.7
335.12750	0.7
336.13531	1.4
337.10593	2.3
339.15897	2.5
349.14325	2.1
352.12961	0.4
367.11844	2.1
367.15427	43.5
368.15756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1544
Annotation	Xanthoangelol C
Peak:m/z	Relative Intensity
50.87890	0.5
55.01854	0.6
56.96560	1.2
65.03944	4.1
67.05511	1.1
68.21870	0.5
69.07052	0.8
69.35574	4.4
79.05480	1.2
81.07058	2.6
81.55016	0.5
85.06541	0.8
91.05484	6.2
92.79539	0.6
93.03397	2.5
93.07042	1.8
95.01334	0.6
95.08595	1.0
97.06500	0.6
98.20777	1.1
105.07028	2.6
107.04997	0.6
107.08595	1.4
109.10166	0.8
116.98621	0.5
119.04935	1.5
119.08570	0.9
121.02884	3.7
121.06520	1.7
127.15812	0.6
128.97531	0.5
129.06989	0.7
130.30362	0.5
131.01302	5.1
131.04932	1.1
131.08583	0.5
133.10063	0.5
135.11668	0.8
145.10097	0.7
147.04414	7.8
147.08069	0.5
148.05191	0.8
149.02353	93.4
150.02681	0.7
151.03923	2.3
151.07544	2.0
155.08597	0.8
163.03920	1.4
163.07579	0.9
165.01860	0.8
167.03415	100.0
168.03770	0.7
175.03949	0.6
176.04692	1.0
177.05507	1.4
179.06981	0.5
183.08118	0.8
185.09615	0.5
191.07072	4.6
191.08633	0.8
192.07680	2.4
193.20706	0.5
201.09140	1.7
203.06973	0.7
207.06561	2.5
211.07605	1.3
213.09209	1.1
227.10664	4.1
229.08601	7.9
247.09718	5.3
253.08878	0.5
257.08282	1.2
269.08121	54.4
270.08539	0.7
275.13354	0.6
283.06146	1.6
283.09521	0.6
293.07956	0.8
293.21155	0.9
311.09076	3.7
314.91785	0.5
321.10989	1.3
336.09537	0.6
337.10135	1.7
339.08270	0.7
339.15808	1.1
348.64679	0.6
349.14261	6.3
351.11530	1.2
367.15240	37.8
368.15598	1.0
382.36621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1544
Annotation	3,4-Dimethoxylonchocarpin
Peak:m/z	Relative Intensity
53.03932	0.7
55.01864	2.1
55.05516	2.7
56.96560	3.9
57.03444	3.7
57.37054	0.6
59.05011	0.6
65.03932	1.9
67.05517	5.4
69.03432	1.2
69.07063	3.4
71.04987	1.5
71.58260	0.9
73.02933	0.8
77.70941	0.5
79.05498	7.0
81.03408	1.2
81.07062	9.3
83.01352	1.4
83.04990	0.7
83.08604	1.7
84.96038	0.8
85.02922	1.4
85.06552	1.3
91.05485	70.9
93.07038	5.5
95.04965	2.2
95.08600	5.5
97.02877	1.1
97.06522	1.9
97.10208	0.7
98.97571	3.1
102.04728	0.6
103.05473	1.6
105.03403	1.5
105.07038	5.6
107.04945	2.3
107.08597	4.2
109.02873	0.8
109.06522	3.0
109.10161	2.9
111.08070	0.8
115.05460	1.3
117.07017	2.3
119.04922	2.0
119.08592	3.8
121.06497	1.9
121.10152	1.9
122.10537	0.6
123.04345	0.7
123.11754	0.7
125.09643	0.8
128.06207	1.1
129.07028	1.5
131.00174	2.3
131.04953	3.2
131.08565	2.1
133.06470	0.7
133.10123	2.4
135.04396	1.8
135.08080	0.6
135.11693	1.4
136.05191	1.6
137.05925	0.9
137.09628	0.9
139.07561	1.0
141.06978	2.4
143.08569	2.3
145.06506	1.8
145.10144	1.4
147.03293	0.9
147.04414	5.5
147.08058	2.0
147.11699	1.8
148.05193	2.5
149.01236	3.9
149.02316	1.2
149.05998	1.0
150.01448	0.5
151.07545	6.7
152.98637	0.8
153.05476	1.1
153.12663	0.7
155.08549	3.5
156.03632	0.9
157.06508	1.0
157.10161	0.7
158.07278	1.1
158.99709	0.6
159.04436	2.0
159.07967	1.2
159.11687	1.1
161.05978	1.8
161.09605	0.7
163.03908	3.4
163.07545	5.0
164.04655	0.8
165.01891	1.0
165.05597	0.9
165.07010	1.7
166.07703	0.6
167.03421	1.2
167.07054	2.4
167.08562	1.8
169.06535	0.7
170.07297	0.7
171.04382	0.9
171.08086	2.0
171.11725	0.6
173.01201	0.7
173.09628	1.6
175.03925	12.1
175.07512	1.1
176.04710	3.4
177.00681	0.8
177.05489	3.1
178.07785	1.4
179.07019	3.4
179.08588	5.2
183.08125	1.9
183.11786	0.7
185.05971	1.5
185.09633	2.0
186.06703	0.9
186.13533	0.6
186.88788	0.6
187.03923	0.9
187.07545	1.6
187.14786	0.7
189.09111	4.4
191.07043	24.5
191.08786	1.3
192.07823	14.1
193.05032	0.8
194.07343	0.6
195.08072	1.5
197.05974	1.2
197.09645	1.4
198.04887	0.7
198.06740	1.7
199.07579	3.8
201.09128	11.5
204.10895	0.9
204.61072	1.3
207.06502	20.9
207.08092	2.2
210.06677	1.6
211.07553	7.9
213.09142	6.1
213.11218	1.0
214.06227	0.8
217.08501	0.9
223.07521	0.9
225.09145	7.2
227.07118	0.6
227.10706	11.9
227.12917	1.1
229.08612	17.0
235.07585	7.0
241.08594	2.4
251.07085	2.3
253.08620	64.8
259.09555	0.7
263.07089	0.9
267.10251	1.1
269.08044	1.4
271.09695	1.0
275.10535	0.8
275.20010	3.2
277.08554	1.5
278.09335	0.7
279.06610	0.7
279.10342	1.1
279.13513	0.7
281.08026	1.0
283.06140	1.3
285.13730	2.6
285.63751	6.6
286.13815	1.3
293.11588	0.6
297.07657	0.7
303.10266	0.8
306.08878	1.2
307.13199	0.6
309.07605	1.4
309.11099	1.1
313.10654	2.1
321.07529	1.0
321.11224	7.0
321.14847	1.8
323.12646	1.3
324.09811	1.1
331.13303	3.1
333.17239	1.0
335.09003	0.7
335.12845	1.2
336.09995	0.6
336.13324	2.8
337.10651	3.3
339.12000	0.4
339.15939	10.2
349.14273	6.3
352.13037	1.2
366.66379	2.7
367.15427	100.0
367.24222	3.6
368.15747	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	367.154
Annotation	3,4-Dimethoxylonchocarpin
Peak:m/z	Relative Intensity
50.23220	0.2
53.03934	0.3
55.01849	0.5
55.05490	0.2
65.03936	0.6
67.05503	0.4
68.99772	0.3
69.03417	0.3
70.89531	0.5
71.53019	0.2
77.00742	0.2
77.03941	0.2
78.04681	0.2
79.05493	1.8
81.03394	0.2
81.07056	2.7
91.05474	2.8
93.03390	0.5
93.07025	0.7
95.04959	0.5
95.08587	0.3
103.05463	1.3
105.03385	0.4
105.07020	2.0
106.04152	0.2
107.04955	1.8
107.08583	0.2
108.05721	0.7
109.02850	0.2
109.06519	1.8
110.03665	0.2
115.05429	0.9
116.06210	0.2
117.07022	0.9
118.04133	0.4
119.04944	2.3
119.08568	0.5
120.05703	0.3
121.02882	0.5
121.06506	3.0
123.04417	0.4
123.08064	0.3
124.05181	0.3
125.05994	1.0
128.06198	1.2
129.07021	1.2
130.04213	0.2
130.07776	0.4
130.81134	0.2
131.04924	4.6
131.08536	0.7
132.05727	0.5
133.02831	0.6
133.06499	0.3
133.10143	0.3
134.03664	0.2
135.04420	1.9
135.08049	0.4
136.05203	2.6
137.05975	0.2
139.03865	0.4
139.07547	1.2
141.06999	2.0
142.07817	1.3
143.04881	0.5
143.08617	1.0
144.05710	0.7
145.06493	1.5
145.10104	0.8
146.03618	0.9
147.04413	5.4
147.08060	3.0
148.05193	3.5
149.02333	0.6
149.06006	1.5
151.07544	10.1
152.04668	0.7
152.06201	0.7
153.05464	1.8
153.06958	0.8
154.06337	0.3
154.07721	0.3
155.05988	0.2
155.08551	4.6
157.06459	0.8
157.10132	0.6
158.07294	1.5
159.04414	2.5
159.05591	0.2
159.08058	2.1
160.05209	0.7
161.05975	2.4
161.09618	0.5
162.06700	0.3
163.03899	3.5
163.07539	8.4
164.04677	1.0
165.05525	0.4
165.06984	0.8
165.09131	0.3
166.07690	0.2
167.07037	2.9
167.08559	1.3
168.05673	0.5
169.06474	0.5
170.07248	0.5
171.04434	0.9
171.08034	2.3
172.05225	0.2
173.05978	1.8
173.09644	1.3
174.06764	0.9
175.03911	2.1
175.07518	0.6
176.03085	0.3
176.04674	5.5
177.05470	5.7
179.07047	5.6
179.08461	0.2
181.05055	0.3
181.06488	0.4
181.08537	0.4
182.07214	0.3
183.08064	3.0
185.06000	1.8
185.07567	0.2
185.07927	0.3
185.09595	2.8
186.06778	0.8
187.03940	1.2
187.07526	2.5
188.08188	0.3
189.09109	6.4
191.07028	38.2
192.07806	20.7
193.04906	0.4
193.08287	0.3
195.08044	2.6
196.08746	0.3
197.05960	0.9
198.06754	2.3
199.07558	2.6
200.08369	0.4
201.09105	16.0
203.10646	0.2
205.08490	0.2
207.06523	33.2
208.06892	0.4
209.09703	0.4
211.07544	8.5
212.07996	0.2
213.09100	7.8
214.06273	1.7
214.09633	0.4
215.06982	0.4
217.08585	0.8
218.07434	0.2
221.05951	0.3
221.09554	0.3
223.07625	0.5
224.08139	0.2
225.05486	0.3
225.09087	0.6
227.07027	0.5
228.07826	0.2
229.08592	27.1
230.08907	0.4
231.08101	0.3
231.10170	0.8
232.08804	0.3
233.09554	0.3
235.07564	0.6
236.08395	0.3
237.08937	0.4
238.06145	0.2
238.09962	0.2
239.06976	0.4
239.10739	0.3
241.08496	1.3
245.09694	0.2
246.10355	0.3
247.11115	0.6
248.08260	0.4
249.09067	0.4
250.06284	0.4
250.10004	0.2
251.07045	0.6
251.10689	0.2
253.08586	0.6
254.09268	0.2
257.07980	0.3
259.09756	0.7
260.08228	0.3
261.09088	0.4
263.07117	0.6
263.10687	0.5
264.07947	0.3
264.11365	0.3
265.08591	0.6
265.12299	0.3
266.06027	0.3
266.09344	0.4
267.06531	0.5
267.10138	0.3
269.08075	0.5
269.11563	0.3
273.08987	0.3
274.09818	0.2
275.10632	1.0
277.05591	0.2
277.08517	0.9
277.11978	0.2
278.09351	0.7
278.12323	0.2
279.06638	0.4
279.10037	0.3
279.13626	0.2
280.07507	0.2
281.08084	1.0
281.11716	0.6
282.08926	0.3
283.09543	0.3
284.10413	0.4
285.07578	0.3
288.07928	0.2
289.12103	0.4
290.09421	0.3
290.13220	0.4
291.06702	0.4
291.10181	0.9
292.10864	0.7
293.08096	1.2
293.11728	1.2
294.08795	0.5
295.06049	0.2
295.09683	0.3
297.11267	0.8
303.10196	0.9
305.08099	0.8
305.11551	0.4
306.08838	1.5
306.12149	0.4
307.09805	0.4
307.13300	0.9
308.10403	0.4
308.14023	0.6
309.07550	1.5
309.11215	1.3
310.08429	0.3
311.09048	0.4
311.12653	0.2
311.16293	0.3
313.10779	0.2
317.11694	0.3
318.12396	0.5
319.09766	1.0
319.13150	0.3
320.10379	0.2
321.07635	0.9
321.11206	9.7
321.14807	0.8
322.08261	0.5
322.11584	0.3
323.09384	0.3
323.12637	1.1
324.09906	1.2
324.13443	0.4
325.10663	0.4
325.14261	0.2
334.11975	0.4
335.12723	1.3
336.13608	3.4
337.10690	5.9
337.13956	0.2
339.15921	14.0
340.16364	0.3
349.14322	1.3
352.12949	1.6
367.15393	100.0
368.15726	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	367.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.7
55.05526	34.9
67.05502	10.8
69.03436	25.9
71.02049	12.0
71.02406	11.0
72.15227	6.5
79.05512	12.1
80.27340	4.9
81.07085	7.5
83.05010	6.5
83.08614	9.7
91.05487	13.0
93.07045	22.5
95.04977	16.9
95.08609	8.5
97.02892	21.3
97.06534	7.2
100.11255	16.5
102.05527	9.5
105.07006	15.3
107.08590	17.8
109.02245	7.7
109.02858	32.2
111.04481	9.4
115.05458	8.8
119.08573	18.9
121.06510	23.9
122.06049	10.4
123.04401	8.6
123.08054	6.5
123.88240	6.4
128.06232	8.8
129.07025	9.0
131.08562	11.7
135.08089	33.7
137.97580	6.7
142.07860	7.2
143.08556	18.0
145.10109	9.5
145.35931	6.8
147.08015	12.2
147.11659	6.4
149.09557	12.1
153.06944	9.9
155.08650	7.7
156.09334	24.6
157.10118	18.1
159.08121	16.6
161.06015	9.0
163.07607	8.2
165.01820	9.7
171.08070	11.4
171.11723	18.6
172.08853	6.2
173.09732	9.6
175.11166	12.5
181.10193	7.9
183.11755	7.8
184.08867	18.4
185.09621	25.5
187.11192	9.5
189.12798	8.3
197.03262	5.7
199.01617	7.1
199.11169	65.1
203.10632	53.1
209.09685	11.2
212.08365	18.0
215.10693	35.9
215.12491	6.6
217.12244	21.8
227.10631	65.0
245.11687	100.0
263.12692	12.1
280.11066	7.9
283.06116	46.5
335.08472	6.5
348.78122	7.1
349.20932	9.5
358.21371	31.7
366.72113	24.4
367.11996	15.0
367.17355	8.1
367.21881	92.3
367.72156	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	367.1179
Annotation	Candidusin C
Peak:m/z	Relative Intensity
53.03943	1.3
54.04703	0.6
55.01875	2.7
55.05494	2.7
56.96572	0.8
57.03443	1.8
59.41370	0.8
65.03930	1.9
67.05506	4.6
68.99775	1.6
69.03417	1.3
69.07061	2.4
70.09148	3.4
71.05000	1.2
72.99404	0.7
79.05500	7.2
81.03416	1.4
81.07062	6.2
83.04948	0.7
83.08649	1.2
85.02923	1.0
87.75306	0.6
91.05485	6.5
93.07051	3.7
95.04971	3.0
95.08606	2.9
97.02906	0.8
97.06531	5.9
97.10206	0.8
98.20790	0.7
99.08120	0.7
103.05470	2.1
105.03360	0.9
105.07046	5.7
107.04963	2.2
107.08595	3.5
109.06525	4.5
109.10164	1.4
110.03641	1.5
111.04459	1.0
115.05460	2.6
117.07027	3.1
118.04147	0.9
119.04999	0.8
119.08603	4.8
121.02824	0.9
121.06530	2.3
121.10151	1.7
125.05975	1.0
128.06203	1.6
129.06999	2.8
131.04921	2.6
131.08571	2.2
132.05740	0.9
133.02823	1.2
133.06505	4.6
133.10156	1.9
135.04420	1.2
135.08055	0.8
137.05980	18.2
138.03128	24.1
143.08557	1.3
145.06487	2.2
145.10150	2.0
146.03656	1.2
147.04442	2.1
147.08067	3.3
147.11719	1.8
148.05199	1.7
149.02271	0.8
149.06001	3.4
149.09660	1.8
150.02840	1.4
153.05473	100.0
154.05681	0.7
156.05717	0.8
157.06493	1.0
157.10228	0.7
158.07191	0.8
159.04376	1.4
159.08078	1.3
160.05165	4.4
161.05986	7.7
162.03116	2.7
162.06689	1.2
163.03932	3.4
163.07573	0.8
163.11330	0.8
165.05466	0.8
167.03378	0.9
167.07118	1.0
173.05962	1.6
173.09560	0.7
174.06874	3.4
175.03992	0.9
175.07544	7.9
176.04672	1.6
177.05499	8.1
178.06288	1.7
179.07022	0.7
179.08543	1.2
183.04453	1.5
183.08029	1.0
184.05156	1.5
185.05946	1.3
187.03947	1.1
187.07582	1.7
188.04666	1.4
189.05458	2.6
189.07031	1.5
189.09096	1.1
190.06181	1.0
191.07047	4.2
191.08551	1.6
192.07722	1.0
193.04987	1.9
194.07323	1.0
195.08121	0.8
195.11829	0.9
197.06026	1.0
197.13298	1.1
198.06883	1.6
199.07603	2.6
200.04634	1.3
203.07034	33.4
205.04828	0.9
205.06580	1.3
207.08041	1.6
208.08806	1.0
209.09476	1.2
211.11182	0.8
213.05490	1.0
215.07031	3.9
218.07253	2.9
219.06432	11.8
219.08168	1.7
220.08760	1.2
221.05962	1.6
223.07617	1.7
223.11139	0.9
227.07039	10.2
234.06743	1.4
235.07564	2.3
236.08383	1.8
237.09171	1.7
239.07037	1.1
243.06590	1.1
246.06755	1.4
247.07552	2.9
248.08301	0.8
249.05409	1.0
249.09088	1.0
250.06296	1.5
252.07811	1.1
253.08527	1.1
261.09119	1.5
262.06265	0.8
263.07001	3.4
264.07834	3.5
265.08560	2.1
267.10205	1.5
269.08206	1.9
271.06143	0.9
275.07034	3.0
275.20068	2.3
276.07990	1.9
277.04990	0.9
278.09293	1.1
279.10199	3.2
283.06003	4.5
283.09781	0.8
284.10477	2.5
289.08566	2.7
291.06525	2.8
292.07336	4.1
293.08047	2.7
295.06284	1.4
295.09729	1.2
297.11169	1.4
303.06482	1.4
304.07309	1.5
305.04587	0.8
306.08878	2.1
307.09683	10.3
308.06778	0.8
308.10202	1.6
309.07458	1.9
311.09189	5.0
317.08112	1.9
320.06845	1.7
321.07523	1.8
321.11142	1.4
323.09262	2.1
324.09915	1.3
334.08206	1.6
335.05182	1.4
335.09125	21.7
336.09946	5.6
337.06937	1.5
339.12402	3.6
349.10797	1.3
352.09409	2.5
367.07910	4.3
367.11746	37.6
367.15417	3.5
367.20413	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01875	6.3
55.05514	3.7
56.96563	3.9
57.03434	5.2
67.05512	5.6
69.03432	8.6
70.06601	4.0
71.04978	3.7
71.57171	2.3
72.08149	6.5
75.03586	1.7
75.28445	1.8
79.05498	4.5
81.03416	4.9
81.07066	2.9
83.04986	2.3
83.08607	2.7
84.08157	3.9
85.02925	16.7
86.09713	6.1
87.04476	2.3
88.27703	2.3
91.05495	7.1
95.01338	27.9
95.04968	2.3
95.08614	2.1
97.02888	5.6
98.97576	6.5
103.05478	6.7
105.07053	10.2
107.04962	4.8
109.02891	2.5
110.42795	1.9
110.97697	1.9
113.02396	12.8
115.05476	6.6
116.06276	2.0
116.98605	3.7
117.07024	7.6
119.04961	5.2
119.08582	2.5
120.08123	2.8
121.06473	3.3
121.08462	3.2
122.06049	5.4
123.04412	4.2
123.26170	2.2
127.03937	2.7
128.06210	10.5
129.07007	6.7
129.10246	2.0
130.04141	2.2
131.04936	13.3
133.06526	11.1
136.06227	3.0
136.07619	2.5
137.05952	5.7
138.05496	2.3
139.55518	2.2
141.07022	4.2
143.04938	2.9
143.08580	4.7
144.05743	4.8
145.06511	10.7
146.03627	2.3
147.04419	8.3
147.08131	2.6
147.09163	11.7
148.05240	6.2
149.06003	5.5
152.06108	3.3
152.07214	2.9
153.05484	2.1
153.06981	7.7
156.05733	3.6
157.06511	7.3
159.04451	4.9
160.05228	2.6
161.05937	14.0
163.07500	2.8
164.07135	3.2
165.05505	8.1
167.07030	20.2
169.06464	4.5
171.08035	13.6
172.05215	4.8
173.06012	8.0
175.07594	6.8
176.04761	5.6
177.05472	7.4
179.07100	2.5
181.06520	6.2
181.08731	2.7
182.08087	4.5
184.05203	7.7
185.06010	4.0
187.03902	2.3
187.07611	3.9
189.05476	4.0
190.06337	2.2
191.07100	11.7
193.08588	19.7
194.05725	4.6
195.06551	2.8
198.07597	3.7
199.07518	14.3
201.05412	3.3
203.07065	2.9
205.05067	3.3
205.08646	5.9
207.06609	6.3
209.08009	9.5
212.04688	3.9
213.05551	4.5
217.08627	5.0
218.05707	2.4
219.01717	2.5
219.06522	6.8
221.08080	5.1
227.06982	19.6
229.09811	2.4
230.05490	2.5
231.06497	2.9
231.10176	7.1
232.07265	2.2
233.08054	13.7
237.02702	3.0
237.07622	2.7
243.11435	3.1
245.08217	8.2
249.07599	4.2
251.09094	2.3
253.09718	2.0
259.09576	10.2
261.07599	6.6
263.09241	3.8
271.10779	13.7
277.10709	2.5
281.14996	17.2
287.09512	2.9
289.11765	3.6
293.10373	2.4
299.10303	5.3
305.10172	12.7
307.12936	2.5
317.11267	9.0
323.11282	100.0
331.12897	2.8
335.12204	4.0
339.11148	2.1
349.13593	3.7
350.13620	2.7
367.10092	33.1
367.14099	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	3.3
56.96569	62.7
61.02897	1.8
69.03429	2.7
70.65228	1.3
70.86024	1.4
71.57016	1.7
71.95259	1.9
84.96051	8.0
85.02906	4.0
97.02908	4.1
98.97591	64.7
100.99155	23.9
102.09211	1.8
110.97572	29.9
112.99146	9.5
115.00703	2.0
116.98608	17.1
119.00190	7.0
124.99187	2.5
125.00102	1.5
127.00703	6.8
128.10738	2.7
128.98625	19.5
131.00186	5.7
134.99698	2.2
143.00195	5.0
145.01727	31.1
146.99672	4.8
149.01163	3.1
152.98567	3.4
158.99654	9.8
161.01233	3.3
163.02795	61.1
163.47462	2.0
170.99663	6.1
174.11209	3.0
177.00706	4.8
180.13249	1.8
181.03864	15.5
187.02834	5.9
188.12791	9.3
189.00832	2.8
191.02306	3.0
201.00702	10.1
205.03809	9.4
208.75339	1.5
217.03914	7.0
219.01775	67.1
219.05124	2.5
220.06023	2.5
223.04933	4.7
237.02832	67.1
241.03882	2.4
247.04858	4.1
248.48663	1.4
249.06525	2.1
251.04367	1.6
255.03976	3.5
263.04456	3.0
289.06143	2.0
295.07010	2.2
307.07013	100.0
325.08075	71.9
325.14032	2.2
367.09152	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01868	6.3
55.05510	14.1
56.96560	3.5
57.03434	7.8
57.17236	3.3
61.02928	5.6
63.63643	2.6
67.05504	9.7
69.03439	22.5
69.07061	9.7
70.06589	9.7
71.04993	16.3
71.57966	2.3
72.08157	11.6
79.05474	8.1
81.03415	5.5
81.07069	19.3
83.04972	10.1
84.04512	3.0
84.08145	6.7
85.02918	15.1
85.06548	3.2
85.44724	2.8
86.09711	24.7
87.04446	4.8
91.05478	4.9
93.07035	9.2
95.04959	9.3
95.08650	4.1
97.02905	8.0
97.06539	5.4
98.97603	6.0
99.04450	4.2
99.08081	3.3
105.07062	6.6
107.08590	10.8
109.02893	3.5
109.06518	3.1
109.10159	9.3
111.08090	5.2
114.05584	3.2
119.04901	4.1
120.08109	6.8
122.06050	3.3
123.11702	11.2
124.07601	5.6
127.03914	5.2
128.10756	6.1
133.07616	8.5
133.10136	4.3
134.06032	3.6
136.06177	4.8
136.07550	6.8
137.05998	4.9
143.06020	4.0
145.04977	9.0
151.11235	17.0
156.10228	4.9
157.13382	5.3
163.08688	19.0
168.06526	5.1
169.12221	6.4
175.08687	3.6
182.08199	3.2
188.12947	3.3
201.10352	4.8
203.08182	3.3
204.08501	6.6
204.10242	5.2
207.07675	100.0
215.11781	5.7
220.11801	6.1
223.08760	3.8
229.09792	6.8
232.07210	9.9
243.11301	5.8
244.11708	3.4
253.09883	3.7
271.10803	15.9
279.13428	7.8
299.10184	5.7
305.11337	3.3
317.11423	8.2
320.83868	3.3
323.12399	58.4
330.11697	5.8
335.12369	5.1
348.12674	13.2
366.12677	59.2
366.19971	5.8
367.13705	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	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.9
55.01876	7.2
55.05500	3.2
57.03440	7.8
59.09163	1.2
60.04533	1.7
61.02918	6.0
67.05511	1.5
68.99786	2.8
69.03435	36.9
70.07321	6.0
71.04987	3.5
73.02916	8.4
73.03249	1.2
76.47276	1.3
78.33636	1.4
81.03426	21.3
83.04942	1.8
85.02910	100.0
87.00295	2.3
87.00829	44.5
91.03996	1.8
97.02898	33.3
98.97626	1.5
99.04459	10.9
102.11562	1.4
105.01876	68.9
108.04475	2.9
109.02885	30.6
111.04459	1.3
111.08055	2.8
115.03933	2.8
117.01842	2.7
121.06483	1.8
126.05449	1.6
127.03924	73.0
129.01868	2.8
136.06183	8.9
141.09129	2.0
145.04971	37.6
147.02893	2.6
151.07681	1.6
159.02931	13.7
177.03918	1.5
189.03944	3.8
202.03831	1.4
209.11754	4.2
211.19312	1.8
220.14774	1.4
230.06483	2.3
231.05013	19.7
248.07562	1.7
249.06120	3.3
283.06049	1.9
295.11847	4.4
304.18250	4.5
313.12961	1.6
348.20667	2.2
366.21628	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	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53877	0.2
53.03934	0.6
55.01871	1.2
55.05499	0.2
55.76100	0.2
57.03431	0.5
60.04514	0.4
61.02909	0.5
68.99799	0.6
69.03432	3.9
71.05004	0.5
73.02906	0.5
79.01840	0.4
79.29610	0.2
81.03417	2.3
81.07043	0.3
85.02905	10.3
87.00833	4.7
91.05487	0.3
97.02895	4.3
99.00843	0.2
99.04453	1.6
102.05518	0.8
105.01871	8.0
108.04454	0.3
109.02208	0.3
109.02887	3.3
117.01820	0.2
119.04935	1.7
120.08066	0.2
120.44835	0.2
121.02869	3.4
121.10178	0.2
123.00797	1.1
127.03917	6.9
129.01836	0.2
137.02303	0.8
141.01837	2.4
144.06580	0.2
145.04955	3.0
159.02922	0.7
165.01839	22.5
169.12244	0.2
183.02895	5.7
189.03902	0.3
231.05006	2.7
232.05472	0.2
249.05963	0.9
255.06477	0.5
271.06015	3.7
283.06015	100.0
297.07523	0.4
321.07559	0.4
349.07178	0.6
366.22742	0.6
367.08118	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30975	0.3
52.54514	0.3
53.03936	0.9
55.01865	1.4
55.05507	0.5
56.05040	0.4
56.53150	0.4
57.03443	3.0
60.04534	5.1
61.02935	2.8
61.91344	0.4
63.87289	0.4
67.05506	1.7
69.03433	9.4
69.07070	0.4
69.41957	1.3
69.42376	1.7
70.06586	0.8
71.01341	1.3
71.04998	2.8
72.08186	0.4
73.02914	1.2
79.05483	1.6
81.03408	1.5
81.07044	1.3
83.04969	0.4
85.02885	0.8
86.09707	0.8
91.05451	0.9
93.07055	1.0
95.04970	0.6
95.08621	0.6
97.06525	0.6
99.04451	2.3
104.05030	0.6
105.05836	0.4
105.07057	0.8
106.06571	2.6
107.08615	1.0
109.10146	0.7
116.04992	3.3
117.05523	1.0
118.05308	2.9
118.06561	0.7
120.08068	1.1
124.07619	0.6
128.10686	0.4
131.06058	1.9
132.06827	0.7
133.07631	8.9
133.10098	0.4
134.06017	0.8
136.07597	0.9
141.79630	0.4
143.06035	1.9
144.06749	0.9
145.07619	14.5
146.08377	1.2
147.09171	1.5
151.73126	0.4
157.07635	2.0
158.04782	0.9
158.08351	0.6
159.09216	1.3
161.07115	3.1
163.08687	15.5
171.05540	1.3
171.09189	1.3
173.07124	1.4
173.10699	0.7
175.08678	4.2
176.09451	0.9
177.06602	2.0
183.09154	0.7
184.09898	0.5
185.07054	0.4
185.10757	0.9
187.08662	0.4
189.06609	7.3
191.08180	0.9
197.06427	0.9
200.09486	1.2
201.10265	2.5
202.10957	0.6
203.08150	0.7
203.11748	0.4
205.09836	1.2
207.07672	100.0
208.07964	1.1
213.10345	0.9
214.06218	1.6
215.08319	1.0
215.11809	1.2
217.09628	0.5
229.09731	1.2
230.10527	0.7
231.11304	1.4
232.07190	13.6
241.09761	0.7
249.12346	0.9
250.62778	0.4
252.02710	0.4
261.12347	1.4
275.10315	0.9
279.13416	8.2
287.10269	1.3
305.11404	3.2
312.25363	0.5
323.12411	52.7
324.12772	1.5
330.26364	1.0
338.15872	0.4
348.11945	5.0
348.27353	1.6
366.12973	55.0
366.28326	2.6
367.13535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.269
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.01871	0.8
55.05529	2.3
55.05741	0.4
57.07086	2.4
63.82517	0.3
65.03957	0.5
67.05500	3.1
69.07074	4.4
71.04987	0.8
71.08570	0.7
71.08887	0.4
76.74165	0.3
79.05497	1.9
81.03422	0.8
81.07063	4.8
83.04961	0.8
83.08613	1.0
85.06549	1.6
90.51839	0.4
91.05496	3.4
92.35092	0.4
93.07038	2.9
95.04974	1.2
95.08625	3.3
95.95755	0.4
97.06534	1.3
97.10155	0.5
105.07036	4.2
107.05003	0.4
107.08608	3.6
109.06528	2.4
109.10168	1.7
111.04459	1.4
111.08125	0.5
115.48650	0.4
117.07042	1.0
119.08574	1.9
121.10149	1.6
123.08080	5.8
123.11691	0.5
123.59129	0.4
124.08835	1.1
125.05998	1.5
128.06238	0.5
129.81516	0.4
131.08591	0.7
133.10118	1.3
135.08070	1.6
135.11716	1.2
137.05956	1.3
137.09625	0.7
139.07532	1.3
145.10165	0.4
147.04497	0.5
147.11694	1.0
149.09644	0.5
151.07547	4.6
152.08359	3.7
157.10143	0.7
159.11678	0.8
161.09682	0.6
163.07642	0.4
165.09132	13.2
165.12738	0.8
166.09978	0.9
171.11740	0.5
173.05998	1.0
173.13300	0.6
175.11188	0.8
177.09126	0.9
179.10669	2.4
179.14412	0.6
181.12215	0.5
183.26878	0.4
185.09637	0.6
187.07593	0.7
188.72585	0.4
191.07033	1.1
191.10751	0.5
193.12242	1.3
195.13905	0.7
208.14635	1.4
211.07648	0.5
221.15321	2.3
223.11026	0.4
225.09152	0.7
227.10692	1.3
228.03508	1.0
229.03853	1.0
249.18568	1.2
263.20059	0.9
265.12277	0.4
279.10568	0.4
279.13867	0.4
291.19608	0.5
305.24792	5.3
307.09460	0.5
319.26337	5.6
321.11169	0.6
329.24796	0.5
331.09665	0.6
335.09158	2.4
347.25839	48.7
348.26129	1.5
349.10825	1.4
350.11569	0.9
355.52328	0.4
365.09985	1.9
365.13852	17.1
365.26901	100.0
366.14371	0.5
366.27277	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05500	0.9
57.07077	1.8
60.32500	0.2
65.03948	0.3
67.05514	1.3
67.68553	0.2
69.07072	0.9
69.89261	0.9
75.62285	0.2
79.05491	0.7
81.07060	1.6
83.04984	0.2
85.06546	1.1
91.05485	1.7
93.07068	1.2
95.04987	0.6
95.08600	1.2
97.06529	0.3
105.07062	1.2
107.04912	0.3
107.08597	1.6
107.84357	0.3
109.06535	1.7
109.10161	0.6
117.07042	0.5
119.08568	1.1
121.06574	0.4
121.10184	0.6
123.08073	3.3
123.11737	0.3
124.08890	1.9
127.06615	0.2
129.06973	0.2
131.08594	0.5
133.10129	0.7
135.08070	0.6
135.11711	0.5
137.05998	0.6
137.09584	0.3
138.06769	0.3
139.07523	0.3
143.08553	0.7
145.10173	0.6
147.08064	0.3
147.11688	0.3
149.09616	0.5
151.07553	4.1
151.11169	0.3
152.08337	7.4
152.09528	0.4
157.10092	0.4
159.11732	0.6
161.09630	0.4
163.11188	0.3
164.08455	0.2
165.09120	9.4
165.68474	0.2
166.09885	0.5
171.11655	0.3
173.05997	0.5
177.09117	0.5
177.12746	0.4
179.08459	0.2
179.09190	0.3
179.10687	2.6
179.14293	0.2
181.10022	0.3
181.12265	0.4
183.11749	0.3
185.13240	0.3
187.14825	0.3
191.07042	0.4
193.12065	0.4
194.13054	4.1
195.13646	0.2
207.13838	2.1
221.15358	0.3
225.09079	0.9
227.10965	0.2
235.16997	0.8
249.18529	0.9
261.18362	0.3
263.20096	2.1
267.17407	0.2
275.17850	0.3
277.21692	0.5
291.10062	0.3
297.17383	0.2
307.09653	0.4
317.08182	0.2
319.26193	1.5
321.11398	0.6
335.09277	1.2
347.12857	0.4
347.25848	18.8
348.26190	0.7
349.10751	0.7
350.11288	0.3
365.10043	1.3
365.14081	10.0
365.26898	100.0
366.14133	0.4
366.27249	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	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.84739	0.3
55.01867	0.4
55.05503	1.1
55.62234	0.3
56.76689	0.3
56.96555	0.5
57.07079	1.9
57.28246	0.3
60.18120	0.3
65.03930	0.3
67.05502	1.6
69.03432	0.3
69.07069	1.5
70.70176	0.7
71.04988	0.5
71.08624	0.5
78.59197	0.3
79.05493	1.7
79.39116	0.3
81.07054	2.9
81.55714	0.2
83.05000	0.4
85.02912	0.3
85.06541	0.5
91.05482	7.7
93.07043	1.7
95.04976	0.6
95.08626	1.8
97.64575	0.3
105.03415	0.5
105.07024	2.5
107.04960	0.4
107.08582	2.1
109.06522	1.9
109.10178	1.4
111.08076	0.3
117.07050	0.6
119.04942	0.3
119.08618	1.3
121.06522	0.6
121.10147	0.9
123.08073	3.5
123.11735	0.6
124.08833	1.8
125.06038	0.3
125.09684	0.3
129.06999	0.5
131.08635	0.6
133.10147	1.0
135.08066	0.9
135.11700	0.8
137.05980	0.6
137.09628	0.5
138.06743	0.5
139.07582	0.4
141.07027	0.5
143.08578	0.7
145.10127	0.8
147.04445	0.5
147.08081	0.4
147.11694	0.6
149.13342	0.3
151.07533	3.7
151.11201	0.5
152.08327	6.9
155.08588	0.5
157.10104	0.5
159.08069	0.5
159.11719	1.1
161.05989	0.4
165.07056	0.5
165.09119	9.8
166.07797	0.4
166.09866	0.6
167.08615	0.5
171.08058	0.3
171.11734	0.4
173.06009	0.9
175.04039	0.3
175.11223	0.5
175.14795	0.3
177.05574	0.3
177.09067	0.3
177.12761	0.4
179.08627	0.5
179.10715	1.6
179.14400	0.4
181.10097	0.4
181.12294	0.7
181.23480	0.3
183.08119	0.4
183.11528	0.3
187.07590	0.5
189.01807	0.3
189.05457	0.5
191.07068	0.9
194.13081	3.8
195.08107	1.1
195.13789	0.3
203.07024	0.7
206.04944	0.3
207.13824	1.6
209.09607	0.5
211.07607	0.4
213.09151	0.8
221.15309	0.5
223.07605	0.4
225.09157	0.6
227.10765	0.4
229.08533	0.4
232.28703	0.3
235.17032	1.0
237.09135	0.5
239.10693	0.8
241.08589	4.5
243.10312	0.3
249.09198	0.5
249.18591	1.0
251.06998	0.7
251.10670	0.6
263.20108	2.0
267.10172	5.2
267.12796	0.5
269.11926	0.7
279.06696	0.4
289.08646	0.4
291.19827	0.3
294.38937	0.3
303.10257	0.5
305.07913	0.4
307.06290	0.4
307.09680	1.0
309.11255	0.3
309.14743	0.3
317.08200	0.3
319.26456	1.1
321.08060	0.3
321.11389	1.2
323.16348	0.4
329.11990	0.4
329.24701	0.4
331.09818	0.5
333.11392	0.6
335.09204	3.3
347.13007	1.4
347.25818	16.6
348.26544	0.4
349.10645	1.6
350.11377	0.7
363.42230	0.3
365.10193	1.4
365.13934	22.9
365.26883	100.0
366.14215	1.3
366.27200	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	365.2477
Annotation	Quinestrol
Peak:m/z	Relative Intensity
50.56486	0.5
51.89865	0.5
53.03925	0.7
53.98984	0.5
54.65725	0.5
54.75548	0.5
55.01862	0.8
55.05482	1.5
57.07043	1.5
61.36765	0.5
64.58313	0.5
65.03918	0.9
67.05509	6.7
69.03380	0.7
69.07072	16.8
69.58151	2.7
75.55202	0.5
76.31576	0.5
79.05065	0.5
79.05496	3.8
81.07059	22.9
83.08600	0.6
85.06528	0.5
88.59193	0.5
91.05478	14.2
93.07001	1.7
95.04967	13.3
95.08607	10.0
97.10151	0.7
98.21510	0.6
99.04418	0.8
99.08790	0.6
105.07032	6.4
107.08561	1.1
109.02796	0.7
109.10092	1.7
110.73894	0.5
117.07057	0.6
119.08499	2.1
121.10071	1.6
123.04426	1.2
123.08002	1.2
129.06979	1.0
131.08556	0.8
135.11668	0.8
136.04266	1.0
136.05199	12.2
137.05980	18.3
137.13174	1.0
138.06781	6.2
143.08484	0.8
145.06519	0.5
145.10054	0.6
146.70584	0.5
150.06683	2.1
151.07484	1.5
152.08226	1.1
157.06407	0.8
159.11607	0.6
165.09021	2.0
171.07990	0.7
173.05945	1.2
175.07582	2.9
179.08406	0.6
179.10545	0.7
185.05789	0.6
189.01750	0.6
191.06891	1.8
193.12418	0.6
195.07982	0.6
199.67320	0.5
203.06918	0.8
207.13907	0.7
225.09036	0.8
227.10667	36.3
228.11459	55.1
229.10158	0.9
229.12222	15.2
237.08990	0.6
241.08536	0.6
241.12241	11.7
251.06841	0.8
253.12289	0.7
263.10443	0.7
263.19925	0.9
267.09995	0.7
279.09985	0.8
281.15240	1.0
297.18466	2.5
307.05804	0.9
307.09515	0.8
321.11020	1.4
331.09439	0.7
335.09113	5.2
347.12393	0.9
347.25839	3.8
349.10730	2.9
350.11215	1.5
365.14008	31.6
365.24524	100.0
366.13901	1.1
366.24750	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	365.23
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69058	0.6
67.05492	0.6
67.43590	0.5
69.07093	0.7
69.75320	2.9
71.69301	0.5
79.05480	1.4
81.07042	1.7
91.05500	0.9
93.07032	1.0
105.07018	0.7
107.08691	0.8
108.06111	0.5
109.06528	0.8
109.10162	0.7
111.15345	0.6
113.64429	0.6
190.36200	0.5
195.05194	0.5
195.09944	0.8
262.29291	0.5
267.14401	2.7
285.15344	0.6
315.18033	0.8
333.19052	1.5
339.69745	0.6
349.33649	0.6
365.23007	100.0
366.23260	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2312
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03938	1.0
55.01865	1.6
55.05507	2.2
56.96566	5.4
57.03436	8.3
59.65611	0.7
61.02914	1.2
65.03939	1.2
67.05504	11.9
69.03422	2.7
69.07063	3.7
71.04987	1.8
71.37575	1.5
72.96025	0.8
76.55328	0.8
79.05486	10.1
81.03410	2.1
81.07051	8.5
81.48808	0.8
83.04994	1.0
83.08620	1.4
84.92473	0.9
85.02901	1.7
85.06542	8.6
85.67540	0.9
91.05489	8.9
93.07043	8.7
95.04973	10.7
95.08620	6.5
97.02921	1.7
97.06539	1.8
98.97592	4.2
105.07041	8.0
107.04964	1.9
107.08603	5.1
109.06521	8.2
109.10156	2.3
113.06004	16.6
115.05470	1.0
116.98605	1.1
117.07039	2.3
119.08591	4.5
121.06499	1.6
121.10158	4.8
123.11723	1.0
123.67171	0.7
125.09621	1.1
127.03884	0.8
127.07607	1.3
128.98625	1.1
129.07021	1.3
131.00217	1.4
131.08569	2.5
132.50031	0.8
133.10132	3.7
135.08052	6.5
135.11707	3.4
135.54353	0.8
137.05969	1.1
143.00084	0.9
143.08565	2.7
143.63268	0.8
145.10156	2.8
147.08115	0.9
147.11684	2.0
149.01215	2.3
149.09587	1.3
155.08572	0.9
157.10103	1.6
158.99686	1.8
159.11728	1.4
161.01300	0.9
161.09639	1.9
162.04442	0.8
171.11708	1.5
177.00735	2.6
189.00664	1.1
191.07014	1.0
195.11691	1.0
199.14885	2.2
211.07642	1.1
213.09540	1.0
217.15938	2.9
235.07483	0.7
263.12534	2.0
267.14389	1.9
269.10681	2.6
273.18561	4.9
277.21509	1.1
279.04019	1.0
284.12827	2.0
285.09979	1.3
291.19565	5.7
321.04816	1.0
333.19116	1.9
335.08990	1.1
347.12970	1.2
347.21826	1.2
357.15607	1.4
365.10175	3.4
365.13937	6.1
365.23016	100.0
366.23245	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44196	2.8
51.53205	3.0
55.05501	4.5
57.03435	7.7
60.04525	4.4
61.02917	3.2
67.05504	26.8
69.03425	10.1
69.04605	3.3
70.06579	4.4
70.85526	2.9
71.57204	3.3
72.08157	13.8
73.02876	4.9
74.85743	3.0
79.05480	23.5
80.16641	3.0
81.03416	4.6
81.07067	17.2
83.04996	5.9
85.02910	10.6
86.09724	6.1
91.05482	9.1
93.03405	3.1
93.07035	4.8
95.04975	3.1
95.08614	3.8
97.02901	3.9
98.97625	4.8
99.04453	3.6
99.06428	2.7
100.04779	2.9
107.08602	48.3
109.06527	5.0
109.10166	8.8
111.04444	12.8
120.08118	5.3
125.09610	9.8
135.08038	8.0
137.06007	4.8
138.05524	3.7
146.05992	3.9
149.06960	3.2
153.09108	46.6
158.11836	7.0
171.10178	87.3
181.74420	3.1
203.08231	7.7
255.11160	5.1
262.01984	3.3
283.10840	3.7
319.12857	4.5
329.11200	4.4
329.25027	4.0
347.12396	17.7
365.12234	100.0
365.20493	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	365.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05513	0.5
65.03947	1.8
67.05492	0.9
69.07070	1.1
79.05499	1.0
81.07069	1.8
91.05486	90.6
92.05805	0.8
93.07027	0.9
95.04974	0.8
95.08620	1.1
103.05452	1.4
105.03411	2.7
105.07043	3.0
107.04968	0.7
107.08583	0.6
109.06499	0.7
109.10165	1.3
113.17674	0.4
115.05468	0.9
117.07019	0.4
119.08586	1.0
121.10194	0.5
123.08056	0.8
128.06262	0.4
129.07045	0.4
131.04933	2.5
131.08563	0.6
133.10141	0.5
137.06056	0.5
141.06969	1.1
143.08565	0.7
143.40967	0.3
149.05972	1.0
151.07594	0.5
152.08345	0.5
153.07040	0.5
155.08586	0.7
157.10141	0.4
159.04474	2.3
159.11702	0.6
161.05966	0.6
165.07008	2.5
165.09088	0.8
166.07811	5.4
167.08519	0.8
169.10066	0.5
173.05952	0.7
177.05554	2.2
178.07751	2.1
179.08585	3.6
179.10031	0.5
181.06467	0.9
181.10078	4.1
183.07999	0.7
183.11751	0.5
188.04959	0.3
189.05473	10.1
189.06969	0.5
190.07835	1.0
191.07053	0.6
191.08553	4.0
193.10143	0.6
194.07321	3.7
195.08066	1.6
196.08820	0.6
197.09622	0.5
203.07079	0.7
206.07321	0.5
207.08018	1.4
208.08853	0.4
209.05865	0.6
209.09619	4.7
211.07640	0.5
211.11168	1.5
213.09123	1.2
219.08139	2.1
221.09613	0.7
223.07657	0.6
224.08351	1.8
225.09099	1.1
227.10660	0.8
234.06964	0.4
235.07651	0.7
236.08331	0.4
237.09116	7.2
239.10706	5.3
241.08595	2.5
249.09096	3.2
251.07314	0.3
253.08556	0.5
255.10168	1.7
260.08542	0.5
261.09198	0.4
265.08630	0.5
267.10172	100.0
268.10419	1.2
268.19003	0.4
279.10239	0.8
285.11206	1.3
291.10086	0.6
292.07437	0.5
297.10886	0.5
307.06152	0.6
307.09671	0.8
321.11139	0.8
323.16428	24.0
335.09048	2.8
347.12726	0.8
347.16415	2.2
347.19876	0.4
347.25879	2.4
349.10620	1.1
350.11441	0.8
353.21490	0.4
365.10101	1.3
365.13696	16.0
365.17496	23.4
365.22760	0.8
365.26874	10.3
366.17908	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	365.1385
Annotation	3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Peak:m/z	Relative Intensity
53.03935	0.1
55.01864	0.2
62.44247	0.1
67.05489	0.3
68.99788	0.1
69.03434	0.1
69.07077	0.1
69.74348	0.4
70.68584	0.1
72.40385	0.1
77.74384	0.1
79.05499	0.6
81.03397	0.1
81.07053	0.5
91.05487	0.8
92.76811	0.1
93.07055	0.1
95.04990	0.1
95.08600	0.3
98.20828	0.2
103.05473	0.1
105.07026	0.2
107.04945	0.5
107.08568	0.1
109.06508	0.3
109.10157	0.2
115.05424	0.3
115.73643	0.1
116.06223	0.2
117.07012	0.2
119.04931	0.3
119.08572	0.1
120.05766	0.1
120.79121	0.1
121.06477	0.1
121.10104	0.1
123.04411	0.1
125.05978	0.3
128.06194	0.3
129.06998	0.2
131.04915	0.2
131.08559	0.6
135.04393	0.3
135.11740	0.1
135.35268	0.1
139.07544	0.1
141.06985	0.4
142.07791	0.1
143.08600	0.2
144.05684	0.2
145.06523	0.4
147.04401	1.3
148.05188	0.3
149.02335	0.1
151.07539	0.5
153.05453	0.4
153.06981	0.3
155.08563	0.5
157.06497	0.2
158.07285	0.2
159.04449	0.1
159.08037	0.7
161.02383	0.2
161.05940	0.5
162.03148	0.5
163.03899	0.1
163.07520	0.3
163.14824	0.1
163.74986	0.1
165.07005	0.3
167.07027	0.4
167.08514	0.3
168.05698	0.1
169.06461	0.3
170.07253	0.4
171.08022	0.8
172.08772	0.2
173.05984	3.6
174.06683	0.3
175.03889	0.7
175.07574	0.1
176.04681	0.2
177.05450	0.1
177.06937	0.1
178.07846	0.1
179.07053	0.1
181.04970	0.2
181.06364	0.2
182.07315	0.2
183.04443	0.2
183.08051	0.6
184.05225	0.1
185.05971	0.6
186.06728	0.1
187.03903	0.1
187.07541	1.9
188.08250	0.2
191.07025	3.5
191.08739	0.2
192.07690	0.2
193.04947	0.1
193.06514	0.1
194.07372	0.1
195.08113	0.5
197.05977	0.5
198.06807	0.6
199.07472	0.3
201.09062	0.1
202.07733	0.1
203.08528	0.1
205.06544	0.1
207.08141	0.2
208.08803	0.1
209.06030	0.1
209.09641	0.2
210.06755	0.2
211.07494	0.8
212.08282	0.1
213.05449	0.3
214.06258	0.2
215.06905	0.1
215.08685	0.1
218.07246	0.2
219.07970	0.3
219.09897	0.1
220.08702	0.1
221.05968	0.2
221.09636	0.1
222.06796	0.2
223.07500	0.6
224.08278	0.2
229.08301	0.5
231.08179	0.2
232.08850	0.2
233.05994	0.1
233.09560	0.4
234.06766	0.1
235.07509	0.3
235.11092	0.2
236.08282	0.4
237.05418	0.2
237.09085	0.4
238.06161	0.1
239.04852	0.1
239.07031	0.3
239.10666	0.1
241.04813	0.1
242.05742	0.1
244.08920	0.1
245.09637	0.7
246.10501	0.1
247.07535	0.3
247.11195	0.4
248.08299	0.5
249.05365	0.3
249.09198	0.3
249.12553	0.1
250.06305	0.2
250.09760	0.1
251.07089	0.7
251.10649	0.3
252.07666	0.1
253.08377	0.1
257.07803	0.5
259.07639	0.2
259.11166	0.3
260.08224	0.1
260.11954	0.3
261.05551	0.1
261.06326	0.1
261.09100	0.9
262.09772	0.2
263.07144	0.4
263.10764	0.6
264.07758	0.5
265.05060	0.2
265.08542	0.4
265.12262	0.2
266.05658	0.2
267.06470	0.3
267.10034	0.1
272.08206	0.1
273.09109	0.3
274.09976	0.2
275.07300	0.5
275.10226	0.4
276.07675	0.3
276.11304	0.1
277.05048	0.2
277.08566	0.5
277.11841	0.1
278.05798	0.2
278.09424	0.2
278.12881	0.2
279.06476	0.9
279.10129	1.1
280.07254	0.2
281.04559	0.1
281.07816	0.1
283.09662	0.1
285.09067	0.2
286.09882	0.2
287.07324	0.1
287.10648	0.3
288.08072	0.1
288.11398	0.4
289.08603	1.1
290.09320	0.3
291.06500	0.4
291.10162	0.8
291.13773	0.5
292.07306	0.8
293.04929	0.1
293.08047	0.4
293.11646	0.4
294.05191	0.1
294.08994	0.1
294.12216	0.2
295.05939	0.5
295.09579	0.2
297.07452	0.2
300.07941	0.2
301.08594	0.4
303.06552	0.3
303.10135	1.4
304.07364	0.2
304.10941	0.4
305.08081	1.2
305.11716	0.4
306.08862	0.7
306.12485	0.3
307.05978	1.7
307.09644	3.4
308.06873	0.1
308.10269	0.2
309.07513	0.3
309.14822	1.0
311.09140	0.2
314.09402	0.1
315.10092	0.8
316.10812	0.3
317.08078	1.0
318.08841	0.3
319.09634	1.1
319.13287	0.3
320.06735	0.2
320.10306	0.1
321.07581	0.6
321.11157	4.1
322.08231	0.3
322.11945	0.4
323.09024	0.5
323.12790	0.6
329.11874	0.1
331.09628	2.0
332.10327	0.5
333.07489	0.3
333.11130	1.3
334.08218	0.4
334.12061	0.4
335.09137	12.8
336.09769	0.6
337.10825	0.2
337.14319	0.7
347.12790	4.4
348.13208	0.2
349.10699	6.8
350.11475	4.2
351.11661	0.1
365.13831	100.0
366.14188	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	365.1383
Annotation	3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Peak:m/z	Relative Intensity
53.91417	0.1
54.55663	0.1
55.01886	0.1
67.05524	0.2
70.76109	0.2
79.05489	0.6
81.07059	0.5
84.70244	0.1
91.05477	0.8
95.05005	0.1
103.05473	0.1
103.34608	0.1
104.82893	0.1
105.07056	0.1
107.04987	0.5
109.06538	0.2
110.03626	0.1
114.16798	0.1
115.05461	0.2
116.06234	0.2
117.07079	0.2
119.04963	0.3
120.05737	0.2
121.06547	0.1
122.03684	0.1
123.04449	0.2
125.06031	0.4
128.06244	0.4
129.07039	0.2
130.72557	0.1
131.08565	0.5
135.04453	0.4
141.07050	0.3
142.07890	0.1
143.08594	0.2
144.05754	0.2
145.06491	0.4
147.04419	1.4
148.05209	0.4
151.03969	0.1
151.05276	0.1
151.07578	0.4
152.06210	0.1
153.05522	0.5
153.07013	0.2
154.84528	0.1
155.08589	0.5
157.06487	0.2
158.07292	0.2
159.04471	0.2
159.08105	0.6
160.05217	0.2
161.02419	0.2
161.05997	0.5
162.03159	0.4
163.07596	0.2
165.05643	0.1
165.07047	0.3
167.07042	0.2
167.08525	0.2
168.05750	0.1
169.06461	0.2
170.07330	0.2
171.04448	0.2
171.08041	1.2
172.08757	0.2
173.05989	3.7
174.06778	0.3
175.03943	0.8
176.04744	0.3
177.05516	0.2
179.07077	0.1
181.05032	0.2
181.06529	0.2
181.08508	0.1
181.10167	0.1
182.07262	0.2
183.08096	0.5
185.06000	0.5
187.03951	0.1
187.07553	1.8
188.08189	0.1
191.07039	3.8
191.08754	0.2
192.07684	0.2
193.72560	0.1
195.08063	0.6
197.06010	0.7
198.06790	0.6
199.07481	0.2
201.09183	0.2
203.08560	0.2
205.10199	0.1
207.08180	0.2
209.05992	0.1
209.09630	0.2
211.07515	0.8
212.08339	0.1
213.05550	0.4
214.06201	0.2
215.06844	0.1
215.08658	0.1
216.09366	0.1
217.10234	0.2
218.07265	0.2
219.08099	0.4
220.08936	0.1
221.05995	0.2
221.09563	0.2
222.06775	0.2
223.07573	0.7
224.08240	0.1
225.09236	0.1
226.06245	0.2
229.08643	0.5
231.08070	0.2
232.08904	0.3
233.06120	0.2
233.09616	0.5
234.06674	0.1
235.07448	0.3
235.11124	0.2
236.08400	0.4
237.05521	0.2
237.09064	0.6
239.07153	0.2
239.10809	0.1
242.05516	0.1
244.08867	0.2
245.09610	0.6
247.07584	0.3
247.11232	0.5
248.08385	0.4
249.09164	0.3
250.06364	0.3
250.09761	0.2
251.07021	0.7
251.10774	0.4
252.07832	0.2
257.08084	0.3
258.10345	0.2
259.07571	0.1
259.11295	0.2
260.08450	0.2
260.11987	0.3
261.09140	0.9
262.10083	0.2
263.07129	0.4
263.10776	0.7
264.07892	0.4
264.11157	0.1
265.05124	0.1
265.08603	0.4
265.12183	0.2
266.13162	0.1
267.06503	0.3
267.10187	0.1
272.08383	0.2
272.64880	0.1
273.09164	0.4
275.07083	0.4
275.10596	0.5
276.07764	0.2
277.05029	0.2
277.08606	0.7
278.05789	0.4
278.09479	0.2
278.12982	0.2
279.06583	0.9
279.10211	1.3
280.07465	0.1
285.09253	0.3
287.07373	0.1
287.10690	0.2
288.07874	0.3
288.11450	0.3
289.08545	1.3
289.11450	0.2
290.09418	0.3
291.06641	0.4
291.10147	0.8
291.13831	0.5
292.07312	0.9
293.08099	0.5
293.11798	0.4
294.08823	0.2
295.05994	0.4
295.09506	0.2
300.07980	0.1
301.08716	0.3
302.09500	0.2
303.06555	0.3
303.10052	1.6
304.07526	0.2
304.10846	0.4
305.08099	1.1
305.11746	0.5
306.08856	0.7
306.12466	0.3
307.06067	1.9
307.09689	3.4
308.06921	0.3
308.10303	0.2
309.07501	0.4
309.14868	1.0
311.09079	0.1
313.08643	0.2
315.06906	0.2
315.10083	0.9
316.11011	0.2
317.08173	0.9
318.08832	0.3
319.09753	1.3
319.13196	0.2
320.06711	0.3
320.10419	0.3
321.07715	0.5
321.11182	4.3
321.14963	0.3
322.08374	0.4
322.11926	0.4
323.09186	0.4
323.12866	0.6
329.12170	0.1
331.09631	2.3
332.10483	0.8
333.07648	0.2
333.11185	1.5
334.08313	0.5
334.12061	0.3
335.09152	14.6
336.09854	0.7
337.10907	0.2
337.14313	0.8
347.08575	0.2
347.12784	4.1
348.13348	0.3
349.10724	6.6
350.11490	3.7
365.13843	100.0
366.14188	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	365.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
57.43820	0.1
67.05506	0.2
69.62145	0.4
69.62557	0.3
79.05501	0.9
81.07075	0.6
91.05492	1.2
93.07040	0.2
95.04967	0.3
98.20753	0.1
103.05488	0.2
103.52431	0.1
105.03410	0.2
105.07030	0.4
107.04958	0.8
109.06486	0.4
115.05457	0.4
117.07011	0.4
119.04923	0.6
119.08549	0.2
120.05711	0.1
121.06499	0.2
121.41071	0.1
123.04415	0.2
125.06040	0.3
128.06203	0.4
129.07004	0.5
131.04915	0.3
131.08578	0.6
133.02843	0.2
135.04402	0.6
137.05952	0.2
139.07535	0.2
141.06987	0.4
142.07764	0.1
143.08557	0.3
144.05702	0.2
145.06497	0.6
145.10089	0.2
147.04427	1.8
147.08029	0.3
148.05179	0.5
151.03860	0.1
151.07562	0.5
153.05487	0.5
153.06978	0.3
155.08589	0.7
157.06482	0.3
158.07240	0.2
159.04439	0.3
159.08081	0.8
160.05148	0.2
161.02342	0.5
161.05997	0.6
162.03146	0.7
163.03865	0.3
163.07559	0.2
165.01826	0.2
165.05553	0.2
165.07016	0.5
166.07758	0.1
167.07124	0.2
167.08463	0.3
169.06532	0.4
170.07335	0.3
171.08089	1.5
173.06000	4.3
174.06660	0.4
175.03909	0.9
175.07594	0.4
175.30586	0.1
176.04715	0.4
177.05489	0.4
178.07814	0.2
181.05042	0.2
181.06497	0.4
182.07213	0.2
183.04501	0.1
183.08043	0.9
184.05267	0.3
185.05968	1.0
185.09496	0.1
187.03940	0.2
187.07561	2.5
188.08327	0.2
189.01823	0.7
189.09209	0.2
191.07034	4.8
191.08727	0.3
192.07712	0.2
193.10060	0.1
194.07291	0.2
195.08095	0.7
197.05972	0.6
198.06760	0.8
199.07584	0.3
201.09232	0.2
202.07706	0.2
203.07031	1.2
203.08562	0.1
205.06419	0.1
207.08102	0.2
209.05983	0.2
211.07608	1.1
213.05482	0.4
213.09044	0.2
214.06232	0.2
215.08691	0.2
218.07286	0.2
219.08063	0.5
221.05945	0.4
222.06644	0.2
223.07582	1.1
223.11121	0.2
224.08124	0.2
225.05464	0.1
225.09210	0.2
226.06163	0.1
227.10674	0.1
229.08423	0.7
231.08192	0.2
232.08853	0.5
233.06021	0.2
233.09668	0.6
234.06673	0.3
234.10403	0.1
235.07477	0.6
236.08337	0.5
237.05437	0.2
237.09143	0.6
239.07002	0.3
239.10695	0.1
242.05611	0.1
244.08665	0.2
245.09721	0.5
246.10417	0.1
247.07506	0.5
247.11203	0.4
248.08359	0.5
249.05527	0.4
249.09148	0.3
249.12939	0.1
250.06316	0.4
251.07043	0.9
251.10680	0.4
252.07652	0.2
253.04974	0.2
257.07889	0.6
259.07669	0.1
259.11243	0.3
260.08392	0.2
260.11905	0.3
261.09183	1.0
262.09827	0.2
263.07083	0.5
263.10672	0.8
264.08008	0.7
264.11349	0.1
265.05032	0.3
265.08606	0.5
265.12219	0.2
266.05786	0.2
267.06503	0.3
267.10141	0.3
269.08032	0.1
271.07468	0.2
272.08258	0.2
273.09158	0.5
274.09650	0.1
275.07138	0.5
275.10675	0.5
276.07809	0.3
276.11642	0.2
277.05176	0.2
277.08609	0.7
277.12216	0.3
278.05664	0.2
278.09384	0.3
278.12784	0.2
279.06549	1.1
279.10190	1.3
280.07425	0.1
281.08191	0.2
281.11679	0.2
285.09161	0.4
286.09924	0.2
287.07086	0.2
287.10822	0.2
288.08173	0.2
288.11459	0.5
289.08566	1.4
289.11636	0.2
290.09152	0.4
291.06592	0.4
291.10153	1.3
291.13760	0.4
292.07343	1.0
293.08075	0.5
293.11749	0.5
294.12381	0.2
295.06006	0.3
295.09659	0.2
295.13132	0.1
297.07578	0.3
300.07727	0.2
301.08606	0.5
303.06635	0.4
303.10217	1.9
304.07648	0.2
304.10968	0.5
305.08109	1.3
305.11752	0.6
306.08896	0.8
306.12497	0.3
307.06027	2.0
307.09683	4.2
308.10330	0.3
309.07495	0.3
309.11484	0.3
309.14795	1.0
311.09122	0.1
315.10086	0.7
316.10843	0.3
317.08084	0.9
317.11496	0.2
318.08884	0.4
319.09677	1.4
319.13290	0.4
320.06818	0.3
320.10468	0.2
321.07620	0.8
321.11191	5.0
322.08389	0.4
322.11884	0.4
323.09088	0.5
323.12808	0.9
331.09698	2.5
332.10501	0.7
333.07611	0.4
333.11264	1.7
334.08249	0.6
334.12103	0.4
335.09161	15.9
336.09790	0.9
337.10913	0.2
337.14420	0.9
347.12808	4.3
348.13196	0.3
349.10730	8.4
350.11502	4.1
365.13864	100.0
366.14218	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	365.121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	4.1
57.03423	0.7
60.08135	0.6
61.02929	0.5
64.70739	0.5
67.05501	0.8
69.03429	1.8
69.07059	0.9
70.06578	1.6
71.57427	0.8
72.08172	3.3
81.03404	1.6
81.07043	1.3
83.04966	0.7
84.08153	1.0
84.96045	0.6
85.02912	2.9
85.06561	0.6
86.09688	1.7
91.05461	1.1
97.02901	1.6
98.97563	3.2
99.04381	0.7
99.08112	0.6
103.05499	0.8
105.07024	0.7
109.06479	0.9
110.97539	1.5
116.98635	1.7
118.11962	0.6
120.08105	2.2
122.06039	0.7
124.07618	0.8
127.03919	1.6
128.98613	1.2
131.04947	1.1
152.07115	0.6
158.11771	2.1
158.99638	0.7
185.04243	3.8
191.07118	0.9
202.05920	1.2
205.12312	0.5
208.09760	0.8
219.01790	1.0
237.02827	2.2
239.02275	1.7
301.11972	0.7
332.07401	0.6
347.12384	2.1
365.05728	3.6
365.12091	100.0
365.20908	3.5
366.12204	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25712	0.6
56.96564	4.2
70.13647	1.8
70.14030	1.3
70.98125	0.8
84.96033	1.5
98.20837	1.0
98.97590	13.1
105.72799	0.8
110.97561	2.6
116.98643	3.2
119.01936	1.1
124.95502	1.9
124.99078	0.7
128.98589	3.8
142.96523	0.9
143.00145	1.0
143.01979	0.9
146.99603	1.7
151.80898	0.8
155.02054	0.7
158.99748	0.9
166.46935	0.7
170.96078	1.5
170.99753	0.9
173.02968	0.9
174.99211	2.1
184.97597	1.9
185.04228	24.8
188.97101	3.3
189.00807	2.3
193.00185	1.4
202.98814	1.5
203.05286	52.9
207.01797	2.2
217.00240	1.3
219.01791	1.3
230.98180	3.0
237.02774	1.1
244.99698	1.6
245.05161	1.5
251.00740	1.3
260.99503	1.0
263.00815	3.1
269.05301	0.9
345.52463	0.8
365.10574	100.0
366.10843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14027	0.5
70.71099	1.6
88.03053	0.6
141.56577	0.6
185.04225	24.9
203.05287	50.1
275.42374	0.7
331.31000	0.7
340.56607	0.6
365.10590	100.0
366.11169	1.4
387.07559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
54.92416	1.5
55.01868	2.7
55.05512	2.0
56.96289	2.8
56.96564	41.0
57.03431	5.1
58.06599	1.8
59.04983	1.6
61.02929	4.0
67.05518	2.7
67.21029	1.8
69.03435	14.2
69.07051	2.8
70.06595	3.4
71.04984	3.3
71.58047	1.8
72.08157	4.0
73.02912	6.3
74.97620	2.1
79.05479	1.9
81.03419	6.1
83.04980	6.7
84.08153	6.7
84.59556	1.9
84.96049	15.8
85.02911	21.6
85.06538	1.9
87.04473	3.5
93.07086	3.1
95.04958	1.7
97.02911	11.5
98.97589	75.5
99.04494	4.2
102.97099	2.4
103.03996	1.8
107.05009	1.6
109.02827	3.4
110.06000	2.0
110.97588	24.9
112.07602	2.7
112.99160	7.1
116.07164	1.6
116.98631	26.5
118.57318	1.6
122.06098	3.1
122.07149	6.6
122.64410	1.5
124.99087	2.6
126.97050	2.1
127.03931	6.1
128.10753	1.8
128.98611	23.0
129.02251	1.9
129.10248	1.9
130.06548	6.3
131.00192	5.8
134.99677	7.4
140.98566	3.7
141.02248	3.5
143.00159	9.9
144.04779	4.6
144.98091	5.8
145.01729	3.2
145.04973	2.3
146.99683	9.3
147.03247	4.5
149.01199	3.1
152.07098	1.8
152.98610	2.7
157.07628	4.7
158.06073	1.7
158.99677	15.1
159.03297	14.7
161.01286	9.3
161.04823	15.0
162.99171	3.0
170.99683	7.5
176.08150	3.6
177.00755	16.8
177.04353	12.7
179.02318	3.1
179.05939	18.0
182.13481	1.8
189.00732	7.5
189.04317	2.6
201.00783	6.4
203.05923	15.6
203.08112	4.5
203.14069	2.0
204.07735	4.5
207.05367	1.9
208.09679	4.1
212.06218	3.6
215.06053	1.9
219.01764	45.2
219.05161	2.1
220.02144	2.1
221.06987	6.7
222.08781	10.2
231.05399	3.2
232.05930	2.3
234.98973	2.0
237.02821	68.4
239.02368	5.3
245.07053	4.8
255.03819	3.1
257.03458	3.7
257.06851	1.9
305.09061	82.1
319.07010	2.1
323.10141	100.0
346.11844	3.8
347.12552	1.9
363.09586	2.1
365.05872	10.5
365.11053	20.0
365.20279	2.9
383.06421	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	365.1019
Annotation	Gerberinol I
Peak:m/z	Relative Intensity
51.02371	0.4
53.00301	0.4
53.03944	0.4
55.01867	1.0
56.96574	0.6
57.03439	0.3
65.03951	0.3
67.01882	0.4
67.05510	1.0
68.99797	0.6
69.03436	0.3
69.07054	0.5
70.74916	0.5
73.32611	0.2
75.62930	0.2
77.03925	1.6
79.05497	6.5
81.03417	0.4
81.07064	2.3
91.04958	0.4
91.05487	5.4
93.07076	1.2
93.30640	0.2
95.01336	3.3
95.04963	0.9
95.08626	0.7
96.12792	0.2
97.06511	0.3
103.05466	0.4
103.33610	0.2
105.03395	6.7
105.04521	0.5
105.07028	1.9
107.04959	11.1
107.08578	1.2
109.06521	2.0
109.10137	0.4
115.05434	0.4
115.24182	0.3
116.06229	0.4
117.07024	1.2
119.04948	3.0
119.08574	2.4
121.02862	0.3
121.06489	0.3
121.10147	0.6
123.00778	3.2
123.04401	0.3
128.06227	0.9
129.07002	3.0
130.07828	0.3
131.04948	0.3
131.08560	0.8
132.05698	0.7
133.02859	23.8
133.06479	0.8
133.10167	0.3
135.04419	11.5
135.08061	0.8
135.11665	0.3
141.06984	0.8
143.08569	0.8
144.05698	1.1
145.02780	0.3
145.06485	0.4
145.10147	0.5
147.04427	0.7
147.08052	4.7
149.02336	3.6
151.03909	1.9
153.05464	0.4
155.08594	0.5
157.06474	1.3
157.30872	0.3
159.08064	0.5
159.11699	0.5
160.05225	0.8
161.02348	29.4
161.05971	4.3
162.02777	0.3
163.03917	12.7
165.05647	0.3
165.07002	0.4
167.03442	2.5
167.08580	0.4
170.04796	0.2
171.08012	0.3
173.06033	0.9
173.13213	0.3
175.03954	2.2
175.07550	2.2
177.05521	0.3
179.03304	0.4
179.08549	0.7
183.08069	0.3
185.05984	5.8
187.03879	1.0
188.04678	0.7
189.01836	52.7
190.02257	0.7
191.06973	0.4
195.08049	0.8
198.06772	0.3
199.07607	0.7
201.05522	0.5
201.09160	0.8
203.07037	80.9
204.07315	1.1
209.06033	0.3
211.07565	0.5
213.05457	0.5
213.09097	0.4
215.03423	0.3
220.62834	0.2
221.06146	0.3
221.08084	0.9
223.07555	1.1
225.09129	1.4
226.06250	0.6
227.07091	0.8
227.10664	0.4
235.07681	0.3
239.07208	0.3
241.08585	2.1
242.05716	0.6
245.09613	0.4
248.08226	0.4
249.05655	0.3
249.09134	0.4
251.07027	0.8
257.08176	1.3
261.08844	0.3
265.08737	0.4
267.10013	0.5
269.08054	5.2
272.01877	0.3
273.09158	0.7
276.07788	0.4
277.08524	0.4
279.06580	0.2
279.10107	0.4
287.09134	0.7
289.08780	0.3
291.06891	0.4
291.10196	0.9
292.07318	0.3
295.06125	0.4
301.08548	0.4
303.10144	0.3
305.08105	0.5
307.05994	0.8
307.09641	0.9
311.08972	0.2
319.09598	1.7
321.11261	0.9
322.08316	0.3
323.09048	0.3
335.09146	2.3
337.10672	1.1
337.14206	0.4
347.09097	0.6
347.12881	0.8
349.10834	1.4
350.11630	0.7
365.10135	100.0
365.13977	11.9
366.10522	2.5
366.14441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05506	1.2
56.96553	1.4
57.03431	0.9
57.92301	0.5
67.05495	2.7
69.03452	0.6
69.07060	1.2
70.06583	1.3
71.57873	0.7
75.53281	0.5
79.05486	2.5
81.07079	4.3
84.58521	0.7
91.05480	2.6
93.07048	1.3
95.04936	1.5
95.08615	1.7
97.06493	0.6
98.97560	0.5
105.07029	2.4
105.54803	0.6
107.04944	1.6
107.08576	1.4
109.06506	1.6
109.10148	1.7
119.08570	1.6
121.06516	0.8
121.10178	1.1
128.98624	0.5
131.08583	1.1
133.10147	1.1
135.08014	0.8
143.08549	0.7
145.10175	0.8
147.08107	0.7
159.07988	1.0
165.01927	0.7
187.03960	0.7
203.07030	1.7
211.07599	2.6
227.10631	0.7
229.08585	3.9
231.47876	0.6
239.07138	1.9
242.05565	0.7
257.08118	12.1
267.06509	1.2
273.18491	1.6
291.19604	1.2
302.29562	0.9
321.11349	0.9
335.09491	0.7
337.10760	1.6
347.12881	1.4
350.07904	0.8
364.33301	4.6
365.09991	100.0
365.13861	7.7
365.23062	2.0
366.10199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.96572	0.8
57.07057	1.8
59.04990	2.7
59.68891	0.5
62.71045	0.5
66.22931	0.5
67.05500	1.2
69.07042	1.0
71.08629	1.0
79.05462	0.8
81.07048	1.9
85.06564	0.6
91.05471	3.9
93.07031	1.2
95.08606	1.9
105.07043	2.2
107.08610	1.5
109.06501	1.1
109.10155	1.5
115.11183	0.7
119.08581	1.1
131.08553	0.9
135.08046	0.7
135.11736	0.7
145.10178	0.8
151.07590	1.1
153.12753	0.6
159.11771	0.6
160.68744	0.5
173.06038	0.7
179.07092	0.8
191.07021	1.2
203.07016	0.7
225.09137	1.5
227.10675	1.0
253.73465	0.5
257.08139	0.7
263.20099	0.8
269.08252	1.2
295.48947	0.5
307.09631	0.6
309.11224	0.7
321.07452	0.6
321.11124	1.2
329.11734	0.6
331.09512	0.8
333.07364	1.0
335.05743	0.7
335.09149	3.2
343.00134	0.7
347.12775	1.4
347.25925	1.3
349.10831	1.9
350.11627	1.0
365.09976	100.0
365.13989	20.4
366.10327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.102
Annotation	Gerberinol I
Peak:m/z	Relative Intensity
50.01597	0.2
51.02382	0.3
53.00306	0.5
53.03944	0.7
55.01877	0.9
57.03429	0.3
65.03934	0.4
67.01874	0.4
67.05491	0.3
68.99787	0.6
70.82306	0.3
70.82660	0.1
77.03923	2.2
78.58855	0.1
79.05495	6.1
81.03419	0.4
81.07063	1.6
85.57978	0.1
89.03951	0.2
91.05483	4.5
93.07035	0.3
95.01332	3.2
95.04971	0.5
97.02901	0.1
100.66906	0.1
103.05482	0.4
104.23312	0.1
105.03397	7.2
105.04459	0.3
105.07029	1.2
107.01313	0.2
107.04958	12.2
107.08582	0.4
109.02878	0.2
109.06524	1.7
115.05466	0.5
116.06218	0.2
117.03394	0.2
117.07028	0.9
119.04204	0.2
119.04969	2.9
119.08588	2.3
120.02058	0.2
121.02876	0.4
121.27232	0.1
123.00796	3.7
123.04453	0.2
128.06209	1.0
129.06999	2.9
131.01241	0.2
131.04930	0.6
131.08569	0.6
131.39378	0.1
132.05704	0.4
132.74481	0.1
133.02853	26.3
133.06505	0.5
135.04419	13.0
135.08075	0.5
141.06981	0.6
144.05699	0.6
145.02844	0.5
145.03885	0.2
145.06465	0.2
147.04420	0.8
147.08049	4.6
149.02339	4.5
151.03899	1.7
153.05479	0.4
153.06879	0.2
155.04915	0.2
155.06032	0.2
155.08598	0.5
157.06477	1.3
158.07309	0.3
159.04402	0.2
159.08060	0.2
159.11687	1.0
160.05212	0.8
160.89104	0.1
161.02344	32.5
161.05966	4.9
162.02719	0.2
163.03908	14.6
165.07018	0.3
167.03395	2.2
167.08621	0.3
169.10057	0.2
170.07239	0.2
171.04413	0.2
171.08107	0.2
173.05965	0.2
174.03157	0.2
175.03911	2.4
175.07536	2.9
177.05479	0.4
177.09163	0.2
179.03398	0.5
179.08606	0.3
181.06522	0.3
182.07310	0.3
183.08041	0.3
184.40573	0.1
185.05989	5.6
185.09584	0.3
187.03886	0.9
188.04695	0.8
189.01830	56.0
190.02145	0.5
194.93561	0.2
195.08028	0.7
197.09695	0.2
198.06735	0.5
199.07645	0.7
201.05447	0.2
201.09109	0.5
202.07866	0.2
203.07033	86.0
204.07420	1.0
205.04970	0.6
206.05714	0.2
207.08064	0.2
209.05994	0.2
211.07558	0.5
213.05464	0.5
213.09120	0.5
215.03392	0.2
221.07990	0.9
223.07524	0.8
225.05420	0.2
225.09053	0.2
226.06248	0.4
227.07077	0.6
229.05040	0.2
229.08612	0.3
238.96634	0.2
239.07033	0.4
241.08595	2.6
242.05743	0.7
245.09807	0.2
248.08321	0.2
249.05516	0.3
249.09113	0.2
251.07082	0.7
257.04361	0.2
257.08072	1.1
261.08902	0.1
267.06674	0.4
267.10132	0.3
269.08090	5.5
273.09113	0.4
275.07031	0.3
276.07800	0.4
277.05295	0.2
277.08588	0.5
279.06497	0.4
283.09668	0.2
287.09183	0.6
289.08762	0.2
291.06726	0.3
291.10138	1.0
295.09378	0.2
301.08652	0.4
305.08121	0.4
306.08881	0.2
307.06018	0.3
309.11206	0.3
319.09637	1.3
321.07559	0.2
321.11224	0.4
323.09094	0.4
335.08978	0.5
337.10715	0.6
347.09189	0.8
347.12823	0.2
349.10855	0.3
350.07739	0.2
365.10187	100.0
366.10611	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	364.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01869	1.7
55.05516	24.8
56.96553	1.5
57.03427	2.0
57.07073	2.0
60.08162	4.4
63.29226	1.1
65.03936	3.6
67.05510	57.8
69.06715	2.0
69.07071	24.9
71.04984	3.5
71.58160	1.7
73.02918	2.7
75.34457	1.2
77.03923	1.5
79.05501	34.1
81.07065	51.3
82.57211	1.1
83.08610	7.3
83.44170	1.3
85.06525	1.9
86.09698	1.4
87.11127	1.2
91.05482	19.7
93.07055	43.5
95.04949	2.7
95.08614	38.2
97.10175	3.7
99.04479	3.3
105.04552	1.2
105.07034	15.0
107.05016	1.3
107.08607	22.2
109.06511	2.3
109.10167	10.6
117.07016	2.9
119.08586	8.6
121.06501	2.0
121.10156	14.0
123.11742	3.2
131.08574	4.1
133.10144	4.8
135.11697	9.0
141.06908	1.3
143.08536	2.6
145.10197	2.4
147.11691	2.7
149.13261	5.2
151.03859	2.6
157.10161	2.1
159.11722	11.5
161.02296	1.3
161.13322	1.7
163.03870	1.5
163.14857	2.6
173.13205	1.5
177.05478	6.4
189.01765	2.9
191.07024	2.0
203.07072	5.5
205.04955	5.6
207.06519	1.9
241.08522	1.7
305.24780	84.6
306.25201	2.7
330.59430	1.5
335.09186	2.1
364.32114	100.0
365.10013	7.9
365.13885	23.2
365.17621	7.9
365.24841	1.4
365.32477	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	365.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58590	0.6
53.03925	1.1
53.71214	0.6
55.05507	1.8
56.96560	2.9
57.03416	2.2
63.51196	0.7
67.05489	3.2
69.03397	0.8
69.07063	2.0
71.56341	0.8
72.17617	0.7
73.02909	0.8
79.05489	3.2
81.03412	1.9
81.07061	3.5
83.04949	1.0
83.08626	1.4
85.02919	1.0
91.05469	4.5
93.07050	4.4
95.04958	0.9
95.08604	3.0
97.02876	0.9
97.06535	1.1
98.97592	0.9
99.04469	0.7
105.07050	2.4
107.04969	1.0
107.08588	2.3
109.06513	1.8
109.10150	1.6
116.98573	0.7
119.08603	2.4
121.10130	1.7
123.08060	1.4
131.08572	2.3
133.10133	2.4
135.11685	1.5
143.08556	0.9
145.10101	0.9
147.04414	0.9
147.11673	1.0
159.11685	1.1
169.10066	0.8
171.11748	1.4
173.13226	1.2
176.98109	0.8
183.11818	0.7
198.65996	0.8
217.15907	0.7
251.79939	0.7
267.09000	2.1
273.18341	1.8
285.10138	1.3
286.10419	1.0
350.04105	2.0
365.06351	100.0
365.13840	7.2
366.06662	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	363.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	23.4
57.01830	10.6
67.05491	44.4
69.03439	10.7
69.07065	27.4
69.82802	61.6
77.57435	11.4
79.05475	25.0
81.03397	17.2
81.07056	100.0
83.05015	16.6
85.06538	24.0
93.07050	50.3
95.08607	62.5
97.06486	12.2
102.86630	10.3
105.07041	16.3
107.08589	36.5
109.10165	36.6
111.08016	13.2
119.08576	23.5
121.10132	31.7
123.11707	25.6
131.08527	17.6
133.10207	10.4
135.11690	13.7
149.13298	22.8
151.96980	10.5
154.92767	11.2
177.16354	12.1
182.52728	10.5
185.13081	12.9
195.17400	16.2
213.04803	10.0
213.18483	34.9
218.16005	11.7
218.84894	11.2
291.26859	13.3
363.17606	14.1
363.21646	22.9
363.26141	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	364.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85035	0.3
50.99199	0.3
53.03979	0.3
55.01872	0.4
55.05507	0.8
67.05505	0.9
68.39651	0.3
69.03444	0.6
69.07079	0.9
70.32993	0.3
71.04986	0.3
71.15032	0.8
79.05497	1.4
81.03418	3.4
81.07068	1.6
83.04984	0.5
83.08628	0.8
85.02907	0.6
91.05498	1.5
93.07034	0.7
94.04050	0.6
95.04983	1.0
95.08611	0.5
97.06535	4.2
105.07050	1.0
107.04944	0.4
107.08630	0.4
119.03560	1.3
119.08574	0.6
129.06995	0.5
131.08591	0.5
133.10120	0.7
136.06190	100.0
137.04572	0.9
137.05745	0.3
137.06630	0.5
145.06474	0.4
146.05984	0.3
147.06787	3.5
147.11679	0.5
153.05492	0.5
157.10144	0.9
159.08017	0.7
164.07144	0.4
174.07758	1.4
175.11211	0.5
176.07114	1.0
176.10709	1.9
177.07863	3.4
185.09615	0.5
188.10669	0.5
189.09171	0.5
193.12277	1.9
202.12315	1.4
204.10187	1.9
205.10979	0.5
206.11749	1.0
211.13300	2.2
216.10262	0.4
229.10939	0.9
230.15479	0.5
230.24171	0.4
258.14871	1.8
260.12933	0.5
273.13605	7.1
287.11191	0.4
293.59506	0.4
302.17514	44.8
303.17776	1.1
310.16467	0.4
320.18576	8.0
321.18884	0.3
328.17627	1.1
346.20047	6.2
347.11142	0.5
364.19916	33.2
365.20297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19899	17.7
62.74747	18.6
67.05517	16.9
69.03434	21.0
69.07046	16.9
69.52214	100.0
70.63744	16.6
81.07069	86.6
85.06525	23.5
93.07065	35.4
95.08604	54.3
97.02905	20.2
98.20736	30.1
105.07047	35.9
107.08598	28.6
109.10194	41.3
119.08630	30.8
121.10187	18.0
123.11711	31.2
129.10272	16.7
145.10135	19.3
149.13367	18.4
208.04608	18.5
291.26733	22.0
296.67374	18.3
341.53452	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	5.8
57.07067	3.2
67.05497	6.3
69.07069	11.6
69.59594	1.9
69.59994	6.0
71.08620	2.3
79.05505	5.3
81.07059	13.6
83.04974	1.8
83.08620	5.5
85.06551	1.1
89.06031	2.2
91.05482	5.7
93.07050	7.3
95.04975	2.7
95.08624	10.6
96.94212	1.1
97.06516	2.0
105.07040	5.3
107.08588	4.3
109.06532	10.1
109.10181	4.8
111.07333	1.1
111.08101	3.3
117.07088	1.2
119.08574	6.9
121.06538	1.1
121.10156	4.1
123.08080	58.6
123.11700	1.6
131.08586	2.2
133.10138	3.4
135.08040	5.4
135.11716	3.2
135.91725	1.1
137.09659	3.3
137.13252	1.5
145.10118	2.0
147.08109	1.5
147.11678	2.9
149.09645	1.2
149.13245	1.5
157.10149	1.4
159.11635	1.6
161.13245	1.1
165.12802	1.0
179.14304	20.9
233.19235	1.1
275.20139	1.5
303.26788	1.4
307.22623	8.0
321.65393	1.1
331.26361	4.5
363.28967	100.0
364.29230	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	363.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27341	0.8
69.54572	4.8
78.94560	0.9
81.07069	0.9
94.78580	0.7
98.20679	0.7
100.17477	0.7
105.07023	1.0
107.08563	0.9
146.72818	0.8
148.11823	0.7
150.09334	0.7
215.25090	0.8
227.03172	86.7
228.03578	1.3
234.74063	0.8
239.10782	0.8
256.55212	0.7
268.05847	0.7
278.76068	0.8
292.54718	0.9
363.15701	100.0
364.16022	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	363.1629
Annotation	Trp Thr Gly
Peak:m/z	Relative Intensity
54.99888	0.4
55.05500	0.5
55.50622	0.3
56.05051	0.4
56.96561	1.6
61.02905	0.5
63.01574	0.3
67.05493	0.7
69.03419	1.0
69.07071	0.4
70.06588	1.0
71.05003	0.7
71.57104	0.6
72.08150	2.3
75.54781	0.4
79.05490	0.5
81.03426	0.8
81.07067	1.0
82.06580	0.5
83.04974	1.0
84.04505	0.5
84.08146	0.5
84.96007	0.4
85.02920	1.7
85.80080	0.4
86.09717	0.9
91.05500	0.6
97.02907	0.8
97.06533	0.5
98.97578	2.3
99.04446	0.6
100.07628	1.0
107.04998	0.5
108.08220	0.3
109.02875	0.8
111.04424	0.4
113.05997	0.4
113.07155	0.4
115.08700	0.7
116.98645	1.3
119.04956	0.5
124.07575	0.5
127.03946	0.8
137.05981	0.9
140.07063	0.6
141.10251	0.5
155.11752	0.5
158.99652	0.5
167.07083	1.1
177.00719	0.6
189.04321	0.5
201.10982	6.0
212.07129	0.5
219.01801	1.2
237.02812	1.2
259.09659	0.6
345.10886	0.7
354.51758	0.4
363.16269	100.0
364.16608	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	363.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39268	0.8
51.27070	0.8
53.03940	1.0
56.05040	1.3
56.96570	26.7
57.03432	3.5
61.02937	2.6
69.03430	8.0
70.98122	3.5
71.04971	0.9
71.55513	1.0
71.95290	1.5
72.08160	3.6
73.02927	3.4
74.97612	1.0
81.03429	3.0
81.27626	0.8
84.08157	2.1
84.96041	6.4
85.02915	12.4
86.09729	1.4
87.04485	3.1
88.99159	1.3
97.02903	7.9
98.97594	77.5
99.04461	1.0
99.97935	1.6
109.02911	2.0
110.09666	1.0
110.97585	13.7
112.07668	1.1
112.99151	2.8
115.03968	1.0
116.98631	20.3
119.01837	1.7
124.99160	1.7
127.00731	1.7
127.03950	3.8
128.98622	12.3
128.99458	1.5
130.93307	1.8
131.00208	3.3
134.99704	3.7
137.06061	1.5
140.02353	1.0
140.98683	1.8
143.00172	4.5
144.98131	1.1
145.01741	1.3
145.05020	1.0
146.99669	5.8
149.01277	1.4
152.98674	1.5
154.93376	3.1
155.03804	1.2
156.98114	1.1
158.11761	2.0
158.99673	17.9
159.03362	2.7
161.01286	4.0
161.03003	1.3
162.99115	1.3
163.02867	1.5
169.01799	1.2
170.99629	4.8
172.94356	6.0
173.01234	1.6
173.04893	1.3
174.99217	3.3
175.02853	1.8
177.00737	12.6
177.04324	2.0
182.03442	1.2
183.03529	1.1
186.99213	1.0
187.02827	2.7
189.00797	3.8
190.95474	5.2
191.02332	1.3
191.03981	3.0
191.05971	2.6
193.00266	3.4
193.03839	1.3
194.99983	0.9
197.04909	2.9
200.04475	1.6
200.54665	2.2
201.00658	4.5
201.04451	3.0
203.02325	1.4
205.00266	3.2
205.03860	2.2
205.05576	1.3
205.55772	1.0
207.01834	1.9
208.96561	1.1
213.00732	1.1
214.95488	3.6
215.05917	7.0
216.96967	1.5
217.00356	1.2
217.07527	1.9
219.01785	21.5
219.03609	1.4
219.05287	2.0
223.01158	1.3
228.96989	2.2
230.98442	1.6
231.01837	1.5
232.96579	3.3
233.06961	1.2
237.02827	19.6
242.03415	1.2
243.05624	2.9
246.06433	1.2
246.98135	2.8
249.02913	1.8
251.04547	1.2
255.03372	1.1
257.07031	4.2
260.96088	2.3
261.02924	3.2
266.06671	1.1
269.05710	1.5
271.06985	1.1
272.57693	1.0
275.04395	1.4
277.06058	1.9
278.97040	1.3
279.04013	4.2
279.09525	2.3
290.97076	1.7
295.07114	6.2
302.97159	3.6
303.00684	2.6
303.07620	1.8
307.07123	2.5
317.09256	2.9
320.98148	3.0
321.02206	4.0
321.08789	3.5
335.10184	6.8
338.99200	1.2
339.03113	1.3
345.08652	2.1
350.56311	1.0
363.12778	100.0
381.10776	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	363.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01853	0.8
56.96572	15.3
57.03431	2.3
60.04512	0.5
61.02933	2.5
69.03433	7.5
69.61533	3.3
70.06583	0.7
71.04990	1.0
71.95274	0.7
72.08168	0.7
73.02923	2.4
81.03426	3.2
82.06566	0.6
83.04981	0.5
84.08161	1.0
84.96037	5.5
85.02911	15.5
86.09702	0.9
87.04458	1.2
88.99175	0.5
91.03943	1.0
91.05490	0.7
97.02898	7.2
97.96800	0.6
98.21487	0.9
98.97592	100.0
99.04444	1.2
99.97927	0.7
100.99133	0.6
102.09108	0.5
102.97076	0.7
107.04924	0.6
109.02904	2.0
110.09656	0.7
110.96815	1.0
110.97580	12.4
110.98333	1.0
112.07641	1.3
112.99158	4.7
115.00737	0.8
116.98633	30.3
119.01845	0.8
119.04948	1.2
121.02859	0.5
124.99125	1.0
126.09148	1.2
126.97060	0.9
127.00728	0.6
127.03914	3.1
128.07088	0.5
128.98627	9.6
129.02319	0.6
130.08612	0.9
131.00194	4.6
133.01744	1.4
134.99666	4.3
137.06001	2.8
140.98605	1.9
141.02257	0.5
143.00169	3.5
144.10182	0.6
144.98097	1.3
145.01730	1.2
145.04991	2.2
146.99678	3.1
147.04404	2.3
149.01218	1.1
152.98584	2.0
155.00169	0.9
157.01762	1.4
158.99675	35.3
159.03311	2.1
161.01276	2.6
161.04805	0.6
162.99188	1.2
163.02766	0.7
167.07053	0.6
170.99649	4.7
172.94385	0.5
173.01237	1.9
173.04808	0.6
175.02811	2.3
175.04309	0.7
177.00737	28.9
177.04317	1.4
179.02371	0.6
179.07056	0.8
183.03331	0.6
185.01280	0.7
186.04457	0.9
187.02831	1.1
189.00726	2.2
189.04346	0.9
191.02318	1.2
191.03961	1.2
191.05817	1.2
191.54057	1.0
192.04565	0.9
193.03899	1.0
194.99641	0.6
195.01846	1.5
197.03139	0.7
197.04817	0.8
200.02365	0.7
200.04367	0.6
201.00655	3.3
201.04362	3.4
204.05449	0.6
205.03769	0.7
208.04987	1.5
215.05962	2.1
216.11371	0.7
217.03743	1.1
217.05585	1.2
217.07487	0.7
219.01791	34.3
219.05397	1.9
220.02148	1.0
225.04361	0.6
229.03842	0.6
231.01880	0.6
235.02844	1.0
235.04996	0.9
236.55099	0.7
237.02843	24.8
241.03806	1.0
243.01807	0.5
243.05342	3.4
253.03848	1.4
255.03972	0.8
257.06918	1.2
260.02023	0.5
260.04489	0.7
261.02890	0.8
261.06458	0.9
273.08060	1.1
277.03537	0.7
277.06049	9.0
279.03952	1.6
280.07007	0.7
282.08347	1.0
288.14355	0.7
295.07132	25.6
303.07513	11.4
307.07086	0.6
309.08618	0.9
317.08966	1.4
318.08670	0.8
319.07019	1.8
321.08591	16.9
321.12271	1.1
327.96170	0.7
335.10251	1.7
337.08044	3.7
345.08380	0.8
363.09378	4.7
363.12695	11.3
363.16592	1.3
364.19919	1.1
381.10638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
59.42476	1.7
65.03936	8.2
67.05506	2.5
69.32580	16.7
71.01318	1.9
79.05492	4.2
85.02909	2.1
85.06553	2.0
91.05492	4.4
92.05025	4.3
93.03415	3.2
93.07042	6.9
94.06577	9.2
95.07351	9.0
95.08582	2.6
96.08144	16.9
97.06554	3.9
106.06553	2.0
108.04479	3.3
108.08121	12.6
110.09702	26.6
110.10395	3.7
116.04972	3.2
118.06522	3.0
120.04484	6.4
120.08110	18.4
122.06049	3.9
124.07620	3.6
127.04102	1.9
130.06488	3.5
134.05989	2.3
136.07574	14.8
138.09145	37.2
144.04448	11.2
146.06017	48.1
148.03937	100.0
148.07538	3.7
154.08653	4.5
159.09274	1.7
162.05511	4.1
164.07126	12.5
166.05049	12.3
166.08650	94.3
172.03964	26.1
180.29816	1.8
190.05000	86.2
253.13266	3.5
255.11333	11.6
257.12842	3.4
271.14383	7.5
273.12332	7.5
281.12814	5.2
283.10898	11.2
299.13956	23.3
301.11847	53.2
302.56482	2.1
305.57797	2.1
317.14990	2.1
319.12787	2.6
343.12848	5.4
361.17899	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1496
Annotation	Yuheinoside
Peak:m/z	Relative Intensity
50.90129	3.9
51.92476	4.2
53.03933	6.8
55.01847	5.2
55.05499	6.6
56.96560	12.1
57.03431	4.9
59.26486	5.0
60.28890	4.1
61.02944	4.5
67.05499	8.5
68.10799	4.6
69.03425	29.7
69.07060	7.4
69.90517	4.0
70.06596	24.0
70.89819	10.7
72.08147	8.3
73.44485	4.1
79.05493	16.2
81.03418	27.8
81.07046	9.4
82.06499	5.6
84.04497	9.8
84.08122	13.4
85.02899	33.7
85.06512	6.1
86.03236	4.3
86.09711	35.1
87.10030	10.3
91.05460	10.6
93.07033	18.7
95.04962	6.1
97.02881	13.6
97.06517	6.4
98.97559	18.4
99.04448	9.1
103.05457	8.2
109.02881	12.5
113.06019	11.4
116.07067	14.4
116.98601	6.9
121.06491	22.8
122.05985	5.9
123.04503	6.2
123.05466	4.4
123.08035	10.2
127.03957	22.4
131.04919	8.6
135.08107	5.3
137.05991	87.6
139.07521	15.3
143.77173	4.8
144.06566	5.4
145.02759	4.8
145.04956	4.7
147.04402	9.0
149.05984	15.3
151.07513	5.7
153.10236	6.0
158.99739	4.8
161.05957	5.8
161.09256	6.2
162.05426	4.8
163.07544	7.5
165.09077	5.7
167.07051	100.0
175.07614	5.5
185.08145	7.0
191.05505	15.9
192.06218	5.0
198.03983	5.1
199.08003	6.5
199.09616	18.9
199.11023	11.3
199.14490	8.9
199.18011	4.8
205.94420	5.0
211.83031	4.2
219.01884	5.8
239.07129	5.1
256.13629	4.2
269.09143	5.3
305.23642	4.7
334.80493	4.7
343.12897	15.8
361.14401	93.3
361.18332	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	361.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33138	0.3
51.45744	0.3
55.05499	0.5
55.62132	0.3
56.96555	0.3
67.05502	1.2
67.52994	0.3
68.99791	2.5
69.03429	0.7
69.07068	0.7
70.11596	1.2
79.05499	1.2
81.03416	0.6
81.07068	2.1
83.04970	0.6
85.02911	0.4
85.06543	0.6
91.01839	0.6
91.05494	1.2
92.84588	0.4
93.07050	1.7
95.04956	1.4
95.08601	1.4
96.86498	0.3
97.06544	0.3
98.21442	0.3
98.97586	0.5
99.08080	0.4
105.03367	0.4
105.07037	1.3
107.04922	0.6
107.08595	1.1
109.02857	0.4
109.06491	0.4
109.10136	0.8
116.23845	0.4
119.08575	1.0
121.06480	0.7
121.10143	0.9
123.04442	0.7
123.08074	0.4
123.11723	0.5
128.06236	0.4
128.59805	0.3
129.07082	0.4
131.08572	0.5
133.02843	0.3
133.10120	0.5
135.04425	0.8
135.11780	0.5
136.15936	0.3
137.09639	0.6
144.05710	0.5
145.06554	0.6
145.10135	0.8
147.11737	0.7
148.05263	0.4
149.09602	0.5
151.03911	11.7
151.07594	0.3
157.10091	0.4
159.08032	0.7
159.11676	0.5
161.02362	0.7
161.05998	1.2
163.03946	0.5
168.05780	0.6
170.03667	0.5
171.08052	1.8
171.11711	0.4
172.05214	2.6
175.03947	0.5
183.08157	0.5
184.05244	1.9
185.05991	8.8
185.07657	0.5
187.07591	2.5
189.05461	1.2
197.06046	0.5
199.07562	3.0
200.04713	3.9
201.05464	1.0
205.01241	0.5
207.06555	1.4
209.13188	0.4
211.07594	0.6
212.04729	1.1
213.05476	4.6
214.06277	0.7
215.07036	14.4
217.08653	0.9
225.05443	0.8
226.02675	1.1
227.07034	9.0
228.04263	0.8
240.04225	0.8
241.04958	4.2
243.06560	16.6
254.02167	0.5
255.06548	11.1
259.05981	1.8
267.06540	0.9
268.03802	0.9
269.04474	15.5
283.06052	8.0
285.07550	3.4
287.05505	3.7
301.07095	0.8
311.05521	100.0
312.05911	2.9
329.06577	9.6
343.08209	3.1
361.09219	3.0
361.23761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95634	1.0
55.05492	1.1
55.25179	1.0
56.96557	2.4
57.03432	1.2
61.02905	1.1
67.05487	1.8
69.03384	4.5
70.06575	3.6
71.04972	1.3
71.57143	1.2
72.08123	3.0
79.05470	1.5
81.03387	2.9
81.06997	1.7
84.08122	3.2
85.02898	6.1
86.09663	3.2
91.05418	1.3
93.07028	2.4
95.04934	1.6
95.08566	1.1
97.02852	3.1
97.06503	1.2
98.97562	5.4
105.07001	2.2
107.08544	1.2
109.02850	1.8
109.06502	1.1
110.97598	1.7
113.05766	1.5
116.98574	2.1
119.04900	1.4
121.06458	1.7
123.04353	1.4
124.07616	1.1
125.05967	1.7
127.03840	2.2
137.05905	4.7
141.10223	5.4
149.05936	1.7
151.07460	1.2
156.31529	1.0
164.06995	1.2
167.06944	2.1
173.06369	1.5
181.06239	1.3
185.06017	1.2
191.05475	2.1
191.07527	1.7
193.81262	1.0
219.01677	2.2
227.05283	1.1
237.02693	1.2
241.07307	1.5
271.31348	1.1
275.11038	8.0
299.10797	1.7
317.12088	58.6
318.12305	1.8
343.12698	3.3
361.10815	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83129	12.0
55.05500	49.3
67.05509	98.7
69.07063	32.7
71.04998	100.0
71.37602	19.4
71.37952	15.4
76.32058	11.2
79.05503	98.6
81.07039	54.2
83.08604	19.3
91.05462	33.5
93.07057	97.5
93.42400	10.6
95.08578	39.7
96.18507	11.7
97.10179	32.1
107.08577	40.7
109.10162	62.1
119.08602	18.2
121.10149	81.8
125.09673	17.3
133.10115	24.4
149.09612	17.0
153.12718	60.8
155.10641	27.4
159.11531	11.3
173.11771	86.4
173.13087	17.0
189.11298	24.8
275.20038	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	360.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01856	1.5
56.96559	2.9
60.04500	1.1
61.02926	1.3
65.03936	1.9
66.86987	1.4
69.03444	6.1
69.07076	1.2
69.10898	1.1
69.53939	3.7
69.54349	4.5
70.06587	4.4
72.08139	5.3
79.05480	1.6
81.03386	3.0
82.06572	1.8
84.04511	1.7
84.08136	3.3
85.02911	12.5
86.09709	13.5
91.05502	2.3
92.05004	2.6
92.42675	1.2
97.02911	6.7
98.97573	3.0
103.05474	40.9
105.07063	1.4
109.02831	2.2
110.06056	2.2
110.97566	1.2
120.04474	2.2
120.08104	1.3
124.07573	1.5
126.09061	1.3
127.03949	2.2
130.40353	1.4
130.78175	1.2
131.04935	100.0
132.05235	1.7
134.38678	1.3
135.04398	1.2
137.05991	3.6
138.05508	17.3
139.07693	1.2
145.04965	1.7
156.06563	15.1
163.03934	4.5
163.07558	36.2
163.08952	2.1
166.05002	2.2
167.07037	1.4
180.10175	4.0
181.04926	2.8
184.06061	34.7
191.03143	5.5
192.03477	6.0
198.07620	45.6
198.11287	3.3
199.18155	1.8
219.01671	2.0
220.79434	1.3
303.13367	1.5
360.13461	4.9
360.17062	2.6
361.18347	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	359.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82107	2.5
53.97900	2.4
55.05515	14.5
57.03417	5.7
57.07078	100.0
67.05181	2.3
67.05515	32.3
69.07069	23.6
69.62197	9.6
69.62608	6.7
70.06593	5.4
71.08637	70.1
79.05476	5.8
81.07059	45.4
83.08636	19.8
84.61087	2.4
85.06583	2.9
85.10191	38.9
88.07641	3.6
91.05482	9.1
93.07054	6.8
95.04926	3.1
95.08611	58.8
97.10185	21.3
98.21485	4.5
99.11690	3.7
103.07564	3.0
105.03672	3.3
105.07027	9.4
106.08617	2.4
107.08595	4.2
109.10169	30.9
111.11723	10.3
119.08583	7.1
121.10141	4.5
123.11682	15.0
131.08594	3.5
133.10080	2.4
135.31116	2.4
137.13249	8.0
139.14694	2.4
151.03957	7.0
151.07663	2.9
151.14801	4.1
163.03920	3.5
166.07898	2.3
177.05473	6.2
181.04976	3.7
191.07034	4.0
193.05006	3.0
207.06549	2.9
213.71397	2.5
237.09050	3.3
251.34761	2.5
267.26855	9.7
271.14511	3.0
285.27863	6.0
296.29459	8.0
299.09030	3.4
301.07077	5.9
303.13861	3.1
313.06949	3.0
315.10934	4.0
329.06570	7.6
341.30600	66.3
344.08817	4.7
359.11349	31.4
359.19943	2.9
359.37143	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.2
55.05511	24.8
57.03433	6.4
57.07081	12.9
57.25288	1.8
59.05009	3.2
62.76236	1.9
65.03946	2.5
67.05512	41.2
69.03423	8.5
69.07076	68.3
71.04987	4.4
71.58361	2.3
76.00554	1.8
79.05503	28.3
81.03405	4.8
81.07064	91.4
83.04980	8.2
83.08607	8.2
85.02909	6.4
85.06550	100.0
85.07073	5.1
91.05480	26.5
93.07050	48.7
95.04997	10.3
95.08614	47.5
95.80874	1.9
97.02937	2.7
97.06524	12.2
97.10141	6.7
99.04462	4.2
99.07558	2.7
99.08103	31.8
101.06030	4.7
103.05464	3.5
105.06382	2.9
105.07043	45.7
107.04884	2.9
107.07946	3.6
107.08607	38.6
109.02895	5.3
109.06529	6.5
109.10162	37.7
111.08078	5.6
111.11726	13.3
113.09637	4.7
116.73958	2.1
117.07019	9.7
119.04931	2.0
119.08582	32.2
121.06501	3.7
121.10151	38.3
123.04449	2.7
123.08092	5.0
123.11737	12.3
125.09682	10.2
127.03970	2.6
127.11223	2.5
127.35695	2.0
129.06972	3.2
131.04944	3.8
131.08585	11.9
133.10138	55.6
135.08025	3.4
135.11690	25.5
137.06000	5.5
137.09639	7.9
137.13289	5.2
139.11182	9.2
142.07797	2.8
143.08565	5.9
145.04953	2.5
145.06549	2.4
145.10120	11.0
147.04430	2.9
147.11685	17.3
149.09621	2.7
149.13271	18.1
151.11180	7.6
152.20134	2.3
153.12781	4.9
155.10605	2.9
157.10094	6.4
157.12260	3.7
159.11707	18.0
160.98801	2.4
161.09695	2.8
161.13214	7.7
163.11189	3.9
163.14815	5.2
171.11627	5.9
173.13306	6.4
175.11133	5.9
175.14809	8.0
177.05363	2.2
177.12665	5.4
177.16393	4.0
179.10704	2.5
179.14319	2.9
181.12117	2.3
187.14845	5.0
189.16472	9.7
191.14293	2.5
195.13831	22.4
197.11751	2.4
201.16406	2.6
210.57849	2.4
211.16954	15.2
213.16428	4.3
219.62143	2.2
261.15982	2.1
269.22711	4.6
275.23648	6.5
285.11261	2.7
287.23856	9.8
305.24722	10.0
323.25729	6.1
341.10202	2.6
351.08038	2.4
359.15573	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	359.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.2
55.05511	24.8
57.03433	6.4
57.07081	12.9
57.25288	1.8
59.05009	3.2
62.76236	1.9
65.03946	2.5
67.05512	41.2
69.03423	8.5
69.07076	68.3
71.04987	4.4
71.58361	2.3
76.00554	1.8
79.05503	28.3
81.03405	4.8
81.07064	91.4
83.04980	8.2
83.08607	8.2
85.02909	6.4
85.06550	100.0
85.07073	5.1
91.05480	26.5
93.07050	48.7
95.04997	10.3
95.08614	47.5
95.80874	1.9
97.02937	2.7
97.06524	12.2
97.10141	6.7
99.04462	4.2
99.07558	2.7
99.08103	31.8
101.06030	4.7
103.05464	3.5
105.06382	2.9
105.07043	45.7
107.04884	2.9
107.07946	3.6
107.08607	38.6
109.02895	5.3
109.06529	6.5
109.10162	37.7
111.08078	5.6
111.11726	13.3
113.09637	4.7
116.73958	2.1
117.07019	9.7
119.04931	2.0
119.08582	32.2
121.06501	3.7
121.10151	38.3
123.04449	2.7
123.08092	5.0
123.11737	12.3
125.09682	10.2
127.03970	2.6
127.11223	2.5
127.35695	2.0
129.06972	3.2
131.04944	3.8
131.08585	11.9
133.10138	55.6
135.08025	3.4
135.11690	25.5
137.06000	5.5
137.09639	7.9
137.13289	5.2
139.11182	9.2
142.07797	2.8
143.08565	5.9
145.04953	2.5
145.06549	2.4
145.10120	11.0
147.04430	2.9
147.11685	17.3
149.09621	2.7
149.13271	18.1
151.11180	7.6
152.20134	2.3
153.12781	4.9
155.10605	2.9
157.10094	6.4
157.12260	3.7
159.11707	18.0
160.98801	2.4
161.09695	2.8
161.13214	7.7
163.11189	3.9
163.14815	5.2
171.11627	5.9
173.13306	6.4
175.11133	5.9
175.14809	8.0
177.05363	2.2
177.12665	5.4
177.16393	4.0
179.10704	2.5
179.14319	2.9
181.12117	2.3
187.14845	5.0
189.16472	9.7
191.14293	2.5
195.13831	22.4
197.11751	2.4
201.16406	2.6
210.57849	2.4
211.16954	15.2
213.16428	4.3
219.62143	2.2
261.15982	2.1
269.22711	4.6
275.23648	6.5
285.11261	2.7
287.23856	9.8
305.24722	10.0
323.25729	6.1
341.10202	2.6
351.08038	2.4
359.15573	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	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
55.01871	2.3
55.05498	4.6
56.96554	1.5
61.02940	3.6
67.05488	5.2
69.03448	11.5
69.07047	4.4
70.02407	1.5
70.06573	4.7
71.04981	4.5
71.55424	1.6
72.08148	4.3
79.05491	6.0
81.03429	3.3
81.07084	7.8
83.04977	2.7
84.08148	4.3
85.02911	26.4
85.06544	2.3
86.09714	54.3
87.05616	2.8
91.05499	8.2
93.07061	10.3
95.04955	3.3
95.08595	6.3
96.08128	3.5
97.02885	9.3
97.06524	2.0
98.02415	2.8
99.04461	3.3
103.05465	1.6
105.03412	2.2
105.07040	12.5
107.04980	2.1
107.07866	2.6
107.08601	45.4
109.02853	4.8
109.06514	2.5
109.10197	3.2
110.02403	3.4
110.09666	2.0
113.06023	3.8
113.10785	2.7
117.07042	1.8
119.04985	2.0
119.08575	9.2
121.06506	3.5
121.10155	10.4
123.08086	2.2
125.09669	2.1
127.03924	5.0
129.10245	2.0
131.04886	2.2
131.08560	2.8
132.10205	3.7
133.10152	25.5
135.11737	3.0
136.07594	3.2
137.02344	1.8
137.05971	6.3
137.09596	2.6
138.09142	3.2
139.07603	1.8
141.10220	5.9
143.08563	1.7
145.04942	3.4
149.09627	5.0
151.03900	1.9
151.07596	1.7
151.11185	8.5
151.16391	1.6
155.11815	10.1
161.06062	2.5
161.09613	8.6
163.03828	2.4
163.11272	2.1
166.08653	2.5
167.07077	2.4
167.10730	15.3
179.03363	1.5
179.06979	2.7
179.10669	23.7
181.04930	2.1
183.11279	6.2
191.07143	1.7
197.11748	100.0
200.13986	29.6
207.94495	1.8
212.09152	2.4
228.13419	10.0
265.08664	1.9
279.10434	3.7
285.07617	2.9
295.09872	1.7
297.11200	2.2
299.05545	5.2
311.12769	2.6
313.07169	9.5
315.13397	4.4
341.06540	4.9
341.10333	3.4
341.20926	2.0
344.08936	2.5
359.07553	7.6
359.11588	3.4
359.16705	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2218
Annotation	Kuhistanol G
Peak:m/z	Relative Intensity
53.03943	2.5
55.01856	1.3
55.05502	3.3
57.07060	4.5
65.03919	1.3
67.05500	7.6
69.07068	16.5
70.23296	3.4
71.04984	1.5
79.05494	6.9
81.07063	22.4
83.04980	2.4
83.08622	2.9
85.02911	6.3
91.05489	8.8
93.07049	12.6
95.04961	3.0
95.08048	1.6
95.08613	23.5
97.06529	2.3
103.05495	3.9
105.07042	26.5
107.08604	27.2
109.02908	2.6
109.06495	4.3
109.10164	9.5
111.04456	11.1
111.08044	1.5
113.06016	1.5
115.05420	1.8
117.07024	7.1
119.04915	2.9
119.08595	36.1
121.06501	1.8
121.10157	11.1
123.04453	1.3
123.08045	2.8
123.11695	3.2
125.05996	5.0
128.06198	1.4
129.06993	4.4
130.07721	1.4
131.08548	4.9
133.06531	1.8
133.10115	8.6
135.08058	4.8
135.11705	2.3
137.02391	8.1
137.05995	4.1
137.13275	4.9
139.03908	24.4
141.05453	12.4
143.08557	4.6
145.10149	15.6
147.08080	1.6
147.11697	6.4
149.09621	2.9
149.13252	18.0
151.07559	2.1
151.14789	1.4
153.00839	1.2
155.03410	12.4
155.08554	3.9
157.04927	3.5
157.10121	4.4
159.08067	2.9
159.11678	4.5
161.09628	4.2
161.13210	1.8
163.07542	21.8
163.11140	1.3
165.09131	16.5
169.10094	5.7
171.08176	1.4
171.11655	2.8
173.09618	5.8
174.06819	1.5
175.07587	10.7
175.11157	2.8
175.14771	1.3
177.09163	11.6
182.10902	1.5
183.11691	2.5
185.09573	1.4
185.13136	1.8
187.07617	1.8
189.09103	8.8
189.12691	2.0
189.16455	1.3
191.07025	1.6
191.10658	4.7
195.11781	1.5
197.09529	1.5
197.13240	5.3
198.10419	1.3
201.09038	2.0
201.16379	4.5
203.10648	4.2
203.14336	3.5
205.12254	5.9
207.11699	1.9
211.14801	8.1
213.12885	2.0
214.09946	1.6
215.10599	2.2
217.12190	2.6
219.13785	1.4
221.13332	1.4
225.12747	1.9
229.12231	4.2
229.15926	5.5
231.13803	5.5
243.13969	2.6
245.15396	16.2
253.15852	1.4
253.19501	4.1
257.15366	13.6
259.13318	4.5
263.18076	1.9
271.16821	2.9
273.14850	1.5
281.19144	2.8
283.17017	1.8
285.22052	3.2
295.20639	11.9
313.21625	100.0
314.22101	1.6
323.20065	9.5
329.06512	2.2
341.21115	32.8
359.11234	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03942	1.4
55.01863	1.6
57.03431	2.5
61.02927	2.9
66.77187	0.9
69.03443	7.8
71.04968	1.4
71.15794	1.7
73.02909	1.9
79.05482	2.0
81.03423	4.1
81.07066	2.0
85.02427	1.9
85.02914	29.2
86.09725	0.8
91.03956	0.8
91.05473	4.8
93.07063	8.6
95.04955	2.8
95.08652	1.4
97.02911	7.5
99.04430	1.9
105.07037	8.8
107.08610	24.5
109.02879	3.3
109.06539	1.8
109.10177	2.7
119.08604	2.5
120.08099	1.2
121.06493	2.8
123.08125	1.2
127.03898	4.2
131.08562	1.0
133.10147	25.0
135.11708	21.3
136.67387	1.0
137.06007	1.6
137.09608	2.4
145.04987	3.1
151.11198	1.9
161.09628	13.0
177.92973	0.9
179.10693	37.6
189.97388	0.8
197.11749	100.0
198.12152	1.5
247.37621	0.8
257.98877	0.8
359.12473	1.2
359.16745	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	359.113
Annotation	5,7-Trihydroxy-6,8-dimethyl-3-(2'-hydroxy-3',4'-methylenedioxybenzyl)chromone
Peak:m/z	Relative Intensity
50.95805	2.5
55.05519	1.9
56.96559	5.1
61.02908	2.1
67.05508	4.2
69.07072	3.2
71.46687	2.8
79.05490	6.6
81.07062	4.6
91.05502	10.9
93.07037	6.0
95.04971	8.5
95.08611	4.8
96.08966	2.3
97.02896	2.3
98.97597	3.7
103.05422	2.7
105.03412	5.6
105.07027	6.2
107.04963	5.4
109.06493	2.6
109.10135	2.5
116.98599	2.6
119.04955	2.5
121.06522	31.2
121.23775	2.3
123.04391	4.1
125.05929	2.1
131.00192	3.3
133.02850	8.0
133.06537	2.6
135.04425	3.6
135.08041	4.3
136.05124	5.4
137.05969	5.7
139.07567	6.0
147.03264	3.1
147.04416	16.5
148.05196	9.1
149.01234	7.1
149.02356	3.2
149.05988	17.7
151.03912	78.6
151.07541	30.8
156.03587	3.3
161.05949	11.9
163.03954	17.8
163.07568	7.6
164.04681	14.6
167.07027	7.3
169.05009	4.4
175.03880	3.0
176.04663	7.0
177.05482	47.5
178.06236	2.7
179.07025	27.2
181.04974	19.6
181.06360	3.0
181.08568	3.9
191.07047	100.0
192.07809	50.5
205.05005	18.7
207.06509	3.4
209.08127	13.0
211.07623	3.3
213.05486	2.6
220.03688	3.4
227.07117	11.9
235.06088	6.2
238.06342	2.5
239.07152	2.4
241.04926	5.3
241.08554	3.9
253.04909	3.5
254.05772	2.5
255.06406	2.6
256.07123	3.2
266.05826	6.9
267.06448	3.9
269.08124	5.4
269.11798	2.1
271.09689	16.8
277.63913	9.8
281.08133	9.8
282.05170	2.2
285.11194	4.4
287.12747	2.7
295.05875	4.8
297.07669	5.8
299.09238	4.2
309.07663	7.5
310.08356	7.5
313.07040	2.2
313.10706	3.3
315.11896	3.3
319.88800	2.4
327.08563	3.8
329.06543	5.9
329.10001	4.7
341.10150	12.0
344.09015	3.7
358.66528	12.5
359.11322	53.9
359.24243	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	359.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01864	2.9
55.05492	3.3
55.91786	1.1
61.02914	2.0
67.05502	1.7
69.03442	7.8
69.07059	1.9
69.92605	7.0
70.06561	4.8
72.07816	2.0
72.08160	27.3
73.02905	2.2
79.05450	1.7
81.03408	3.7
81.07038	1.6
82.06564	1.7
83.06115	13.2
84.04129	1.1
84.04508	14.7
84.08117	5.6
85.02919	9.3
85.06528	2.2
86.09222	2.1
86.09711	31.8
87.04462	2.4
91.05471	2.3
92.05003	3.2
95.04953	3.1
97.02864	4.5
97.06496	1.6
98.97557	1.5
99.04386	1.5
101.07106	1.4
102.05521	1.5
103.05412	3.8
108.04473	1.8
109.06522	1.4
110.06003	2.6
113.07125	1.5
118.08619	5.4
119.06073	24.6
121.07645	1.3
122.05994	2.3
123.06811	3.1
123.08039	3.9
125.06001	2.2
127.03876	3.4
129.06639	1.5
129.10193	1.9
130.06522	1.6
131.04961	6.6
132.10165	6.5
137.05931	8.6
137.07054	5.5
137.71884	1.4
138.07930	1.2
138.09088	4.1
145.06453	1.6
147.04575	1.1
147.05528	19.0
148.03853	5.9
148.06325	63.0
149.07112	81.5
150.05458	1.4
151.03873	6.1
151.07539	2.7
155.11752	2.9
157.07643	1.7
157.13321	3.7
161.05965	1.6
164.05753	2.4
165.06613	54.6
166.07401	10.3
167.06973	2.8
175.10828	3.5
179.08189	58.2
179.14284	2.1
182.12849	7.0
183.11317	6.9
185.12758	2.3
196.14352	4.9
197.09267	49.2
197.12920	3.3
200.13855	4.0
207.07774	2.6
210.12425	3.3
222.80440	1.3
224.13878	1.8
228.13345	2.0
242.14935	2.1
297.11264	1.9
303.13367	1.6
316.25818	1.3
341.21915	7.1
359.14307	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	359.1127
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
51.09428	0.3
56.96530	0.3
57.03404	0.4
63.69809	0.3
69.07011	0.4
69.37213	2.1
79.05468	0.3
80.25024	0.3
81.07024	0.4
91.05461	0.4
98.21444	0.4
99.20184	0.3
100.55930	0.3
105.07017	0.4
107.04879	0.8
107.08505	0.3
109.06483	0.4
111.04436	0.3
125.02312	0.6
135.04370	0.9
136.55002	0.3
137.05974	2.5
139.07483	0.5
144.39133	0.2
147.04405	0.3
149.05942	0.3
151.03880	0.6
151.07416	0.3
153.05397	0.9
161.02263	0.4
161.05907	0.3
163.02711	0.4
163.03923	4.4
164.04573	0.5
165.05315	0.3
165.38144	0.3
166.02600	0.3
167.03403	3.9
167.07053	1.6
175.03845	1.4
176.04727	0.2
177.05466	0.9
178.04774	0.5
178.06259	8.5
179.06970	0.3
185.06003	0.3
188.56419	0.2
192.04185	0.3
193.04984	1.3
197.04468	0.4
199.07507	0.4
203.03273	0.3
203.06952	0.3
204.04153	0.8
205.04919	0.8
211.87125	0.3
213.05437	0.6
214.06233	0.7
217.04918	1.0
226.02809	0.3
227.07117	0.4
230.05736	6.9
231.06401	0.6
241.04958	2.4
242.05716	1.0
243.06566	0.6
245.04446	0.8
245.08154	1.0
255.06538	2.2
257.08118	1.9
258.05301	3.4
267.06436	0.6
268.03561	0.5
269.04459	10.8
270.04974	0.7
271.09506	0.4
273.07556	5.8
282.05405	0.3
283.06042	5.0
284.06442	0.5
285.07596	1.0
285.10788	0.3
286.04703	1.2
295.06061	1.1
297.03943	2.1
297.07581	1.8
298.04675	1.5
298.08331	0.9
299.05640	0.5
299.09067	0.5
301.07080	19.3
302.07239	0.4
303.12067	0.5
311.05551	3.6
312.06320	0.5
313.07071	3.0
314.04257	5.1
315.08649	0.5
316.09433	0.3
325.07111	0.6
326.07779	1.7
327.08585	2.6
329.06567	56.9
330.06949	1.1
331.11700	0.5
343.08139	0.9
344.08926	20.2
359.11270	100.0
360.11542	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1127
Annotation	5,7-Trihydroxy-6,8-dimethyl-3-(2'-hydroxy-3',4'-methylenedioxybenzyl)chromone
Peak:m/z	Relative Intensity
53.03943	2.1
55.05531	2.6
63.71355	1.8
64.32452	2.0
65.39850	1.8
67.05506	3.4
72.19479	1.7
79.05494	4.4
81.07060	2.3
91.05466	11.1
92.68321	1.8
93.07017	2.7
95.04981	11.3
103.05487	2.6
105.03414	5.7
105.07009	3.8
107.04959	4.9
107.30993	2.1
109.10217	2.4
116.79854	2.2
117.30003	2.0
119.08598	2.2
121.06507	31.1
123.04474	3.1
124.05219	2.8
126.94920	1.9
129.09062	2.2
133.02846	8.8
133.06483	2.0
135.08044	5.6
136.05190	3.9
137.05995	11.7
138.06798	2.2
140.55666	2.2
141.05473	2.9
147.04417	14.5
148.05222	9.5
149.06012	16.3
151.03917	81.4
151.05128	4.5
151.07556	31.0
152.04303	2.8
153.05539	2.5
157.10178	2.3
161.02390	2.1
161.06000	13.4
163.03931	15.5
163.07564	7.4
164.04739	11.8
167.07054	6.9
169.05031	4.2
175.03886	6.7
176.04710	7.1
177.05469	47.0
178.06363	3.0
179.03403	2.3
179.07048	27.1
181.04961	28.2
181.08672	2.5
185.06018	2.3
190.02620	2.6
191.07040	100.0
192.07819	59.7
194.05753	2.5
198.06880	3.0
205.05022	23.5
207.06570	8.2
207.49255	2.2
208.07086	2.0
209.08086	12.9
209.25980	2.1
211.07573	3.4
213.05475	2.2
213.09164	2.2
220.03682	4.5
225.05846	2.6
226.06232	2.0
227.07043	10.1
239.07082	3.3
241.04962	4.7
241.08698	2.9
255.06607	2.9
266.05734	8.3
267.06564	3.5
269.04749	1.8
269.08148	8.2
271.09665	16.7
281.08075	8.8
282.05197	2.7
284.10406	2.3
285.11252	3.3
287.12875	5.3
294.65854	1.9
295.05942	3.9
297.07703	11.2
297.10764	2.9
299.08804	3.7
301.07111	4.2
309.07599	7.1
310.08340	7.0
311.05682	2.2
313.10779	5.0
315.11151	10.9
327.08682	2.8
329.06522	7.1
329.10074	4.2
341.10278	15.6
344.08820	6.5
358.33380	3.3
359.06860	3.0
359.11276	53.4
359.33575	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1126
Annotation	Cimiracemate A
Peak:m/z	Relative Intensity
53.03929	2.5
56.00285	1.0
68.99787	1.6
70.05892	4.3
74.03588	0.8
77.03905	1.3
78.23100	0.8
79.05492	3.4
81.07076	1.2
85.02906	9.9
91.05484	3.2
93.03420	0.9
93.07058	1.3
94.04161	1.0
95.04955	1.8
96.05738	1.3
98.21402	1.0
106.04169	1.4
107.04953	1.4
108.05713	3.3
109.06512	2.3
111.04471	1.5
121.06528	5.0
123.04456	2.0
124.05250	5.8
125.05997	1.7
129.83208	1.0
134.03659	1.1
135.04398	3.7
136.05170	2.3
139.07558	13.2
147.04378	2.4
148.05190	1.7
149.06030	6.0
151.07553	16.2
151.08672	1.8
153.05478	23.4
155.07024	5.9
161.05986	4.3
161.28857	0.9
162.03143	2.8
162.06720	1.8
163.03946	2.2
165.06708	0.9
165.09187	1.7
167.03416	29.0
167.07048	12.5
175.03896	1.6
175.62407	1.0
176.04710	2.3
177.05479	100.0
178.06265	4.2
179.07048	38.8
181.04877	1.1
191.07047	37.3
192.07817	55.9
193.04968	2.8
193.08571	3.4
198.63673	0.9
198.96396	0.8
205.04994	19.4
209.06033	0.9
219.06482	1.2
267.06549	1.5
269.07922	1.2
278.08517	1.0
281.07916	0.9
283.06009	1.4
295.06216	1.1
297.07419	1.8
298.08691	1.1
313.10669	2.9
325.07077	0.9
331.11719	9.6
341.10223	22.3
359.11270	63.0
360.11758	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	359.1125
Annotation	5,7-Trihydroxy-6,8-dimethyl-3-(2'-hydroxy-3',4'-methylenedioxybenzyl)chromone
Peak:m/z	Relative Intensity
51.02375	1.0
53.03930	1.6
60.88274	1.1
64.19710	1.5
64.60577	1.0
65.03920	1.3
70.79852	2.4
77.03944	2.4
79.05487	1.9
81.26875	1.3
91.05468	2.4
93.07044	1.1
95.04963	3.6
105.03396	31.6
109.10165	1.2
121.06529	2.9
128.21169	1.3
133.02861	38.7
137.05992	1.9
148.05180	1.1
149.02365	2.4
149.05974	2.1
151.02711	2.2
151.03905	28.6
160.05147	1.3
161.05972	2.2
163.03911	99.4
167.07042	1.7
176.04759	1.5
177.05521	8.4
181.04968	100.0
190.02647	3.1
191.07025	21.4
191.08740	1.4
192.07805	23.0
205.04974	13.8
241.05177	1.3
309.07501	3.7
313.10596	1.3
329.06555	1.8
341.06314	2.4
341.10229	34.4
349.19870	1.1
353.14499	1.1
359.11407	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	359.1126
Annotation	5,7-Trihydroxy-6,8-dimethyl-3-(2'-hydroxy-3',4'-methylenedioxybenzyl)chromone
Peak:m/z	Relative Intensity
53.03933	1.1
65.03947	1.0
69.65194	3.8
77.03931	2.0
79.05491	0.9
83.82487	0.9
93.07011	1.5
95.04980	4.3
98.21531	1.5
103.05473	1.1
105.03401	29.7
119.12697	0.8
119.58079	0.9
121.06481	2.0
133.02867	36.3
137.06007	2.7
147.04398	1.6
149.02339	1.9
149.05980	2.1
151.03912	30.8
151.05128	1.9
160.05247	1.3
161.06000	1.5
163.03920	100.0
167.07077	1.7
176.04707	1.5
177.05444	6.9
181.04971	87.8
182.05304	1.4
190.02629	2.7
191.07034	18.0
192.06177	1.7
192.07828	21.0
193.04993	4.1
205.04999	15.0
281.08063	2.0
297.07495	0.9
309.07510	3.1
310.08371	0.9
313.10748	2.8
337.62445	0.9
341.10257	34.4
341.14368	1.7
359.07568	1.0
359.11353	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	359.1129
Annotation	5,7-Trihydroxy-6,8-dimethyl-3-(2'-hydroxy-3',4'-methylenedioxybenzyl)chromone
Peak:m/z	Relative Intensity
51.02371	0.8
53.03942	1.7
55.01868	1.4
57.03429	0.8
65.03940	1.1
65.56491	0.8
67.05506	2.6
67.37517	0.9
68.99259	0.7
69.03419	1.9
69.07073	2.0
71.56643	1.0
77.03931	1.7
79.05495	3.3
81.07066	4.0
83.04931	0.9
85.02921	0.9
85.06538	1.6
91.05473	2.6
93.07042	3.3
95.04967	5.7
95.08608	3.7
97.06519	1.5
98.38055	0.8
98.97565	2.0
105.03400	25.0
105.07019	3.1
107.08604	2.2
109.06521	2.0
109.10141	2.2
119.08569	3.4
121.06505	3.5
121.10191	1.0
122.09683	2.8
123.04480	1.0
123.08086	1.0
123.11696	1.3
131.08542	1.2
133.02866	37.2
133.10153	2.0
135.11725	1.7
137.05986	3.5
138.79170	0.7
139.11188	1.0
145.10149	1.6
147.04387	1.5
147.11684	1.5
149.02367	1.9
149.05952	2.2
149.09512	1.1
149.13281	0.9
150.09166	0.8
151.03911	33.9
152.04251	0.9
156.26729	0.8
157.10146	1.1
160.05188	1.0
161.05981	2.1
163.03917	83.5
167.06998	1.9
175.03963	1.0
176.04698	3.9
177.05539	10.6
181.04974	100.0
182.05359	1.2
185.13275	1.0
190.02603	1.9
191.05579	0.7
191.07034	25.2
192.07823	26.5
205.04973	17.1
205.12050	0.9
243.14359	0.8
255.06572	0.9
267.06613	1.0
281.08197	1.3
309.07538	2.9
310.08459	1.4
313.10669	1.2
341.10199	33.7
342.10654	1.2
359.11215	4.5
359.22159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1127
Annotation	5,7-Trihydroxy-6,8-dimethyl-3-(2'-hydroxy-3',4'-methylenedioxybenzyl)chromone
Peak:m/z	Relative Intensity
53.03944	1.7
55.01873	1.8
65.03929	1.6
67.05498	1.6
68.58300	1.1
69.07069	1.7
71.09101	2.3
77.03893	1.3
78.89214	1.0
79.05498	4.1
81.07072	2.4
82.83406	1.0
91.05479	7.6
93.07050	3.5
95.04976	10.5
95.08607	2.1
103.05471	4.3
105.03410	5.9
105.07033	4.6
107.04967	5.5
109.06549	1.7
115.05492	1.4
118.04205	1.4
119.04965	1.7
121.06515	28.8
123.04421	3.4
125.06089	1.3
130.12703	1.2
131.04922	2.0
133.02859	5.4
133.06477	3.2
135.04434	2.3
135.08060	5.0
136.05225	5.5
137.06007	7.3
139.07553	3.9
141.05492	2.8
145.06470	1.4
145.10185	1.2
147.04410	17.1
148.05219	8.8
149.02347	3.3
149.05978	17.4
151.03906	74.5
151.07536	28.9
161.05980	12.9
162.27556	1.2
163.03915	17.3
163.07594	6.5
164.04684	10.5
167.07051	6.0
169.04990	4.7
175.03914	2.9
176.04645	5.7
177.05472	40.2
178.06200	3.2
179.03378	2.2
179.07040	28.4
181.04968	16.9
181.08574	2.5
190.02629	2.8
191.07031	100.0
192.04196	1.9
192.07814	53.7
194.05731	2.2
197.06055	1.8
198.06815	1.9
199.07677	1.6
205.04974	17.9
207.06522	5.8
209.08057	15.2
210.06700	1.3
211.07556	4.1
213.05487	3.3
213.08989	1.8
220.03563	1.9
225.08963	1.2
226.06116	1.8
227.07066	10.0
228.07761	1.5
238.06334	2.1
239.07007	2.7
240.07895	1.7
241.05042	4.0
241.08647	3.0
242.05711	1.6
251.07024	2.5
253.08600	2.6
254.09412	2.1
255.06586	2.0
255.10213	1.6
256.07358	2.7
256.10962	1.4
257.07849	1.4
257.11716	2.1
266.05685	7.9
267.06543	5.1
269.04462	1.3
269.08209	8.2
271.09647	16.3
281.08182	9.0
282.05380	2.7
283.05939	1.3
284.10431	4.1
285.11453	1.6
287.12793	3.9
295.06073	4.5
297.07642	9.0
297.10898	2.2
299.09274	1.7
300.09995	1.7
301.07080	2.6
309.07529	6.9
310.08295	8.3
311.05600	1.7
313.10757	2.0
315.12411	2.5
329.06577	9.3
329.10306	5.2
341.10214	13.9
344.08978	5.0
359.07535	5.4
359.11325	41.3
359.22296	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	359.1123
Annotation	2-(3,4-dimethoxyphenyl)-7-hydroxy-5,6-dimethoxychromen-4-one
Peak:m/z	Relative Intensity
51.78057	0.3
54.73286	0.3
57.03423	0.6
63.29507	0.3
69.18871	3.5
85.66216	0.4
95.04997	0.6
98.20763	0.6
100.28830	0.3
103.71347	0.3
114.76588	0.4
118.04167	0.4
121.06461	0.6
137.06001	1.0
146.03629	0.5
148.05190	0.7
149.02351	0.7
151.03905	4.6
163.03902	1.0
164.04726	2.3
164.06075	0.3
168.05673	0.5
168.17563	0.3
176.04787	0.4
177.01747	0.5
179.03432	1.6
185.05991	1.6
189.05455	1.5
192.04210	2.3
193.04977	0.5
194.05762	0.9
196.05191	0.6
197.05963	0.4
199.07547	0.8
200.08244	0.4
201.05435	0.6
202.02649	0.6
203.03339	0.4
203.07137	0.3
207.06573	0.7
211.07571	1.3
213.05475	3.1
214.06271	1.4
215.07018	0.6
215.10660	0.3
216.04182	0.8
217.04977	1.1
220.03696	5.0
221.04398	2.1
223.02339	1.8
224.04706	0.6
225.05435	0.7
226.06184	0.5
227.07028	2.6
228.07817	1.1
229.05017	0.3
230.05754	0.8
231.06584	0.6
239.07050	2.5
240.07716	0.4
241.04941	3.4
241.08594	1.4
242.05721	0.6
243.02948	0.9
243.06737	0.3
243.10225	1.3
245.08122	3.6
251.03444	0.9
253.04976	1.1
255.06482	3.0
256.07336	1.8
257.08176	1.8
258.05240	1.8
261.03995	0.7
267.06561	1.0
268.03815	0.5
269.04465	4.0
269.08066	1.0
270.08868	0.5
271.09732	1.9
273.07596	5.7
281.04572	1.2
283.02893	0.6
283.06033	8.3
284.06705	1.8
285.07407	0.5
295.06042	2.7
296.06818	1.0
297.03970	4.0
297.07336	0.6
298.04758	3.2
298.08383	2.0
299.09158	6.5
301.07065	19.9
311.05493	1.1
312.06308	1.0
313.07062	7.5
314.03970	0.3
326.07855	1.4
327.08582	2.2
329.06555	37.3
330.07080	0.8
343.08112	0.4
344.08905	8.9
359.11258	100.0
360.11603	2.2
380.82748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1127
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
57.48660	0.4
65.03941	0.4
67.05508	0.7
69.03387	0.4
69.04692	0.4
69.07063	0.6
70.82061	1.2
79.05488	0.7
81.03414	0.6
81.07067	0.9
91.05473	1.3
93.07064	0.6
95.04982	0.6
95.08633	0.9
97.06525	0.4
98.97626	0.5
105.07033	0.9
107.04961	0.9
107.08575	0.6
108.08138	0.6
108.87150	0.4
109.10143	0.8
112.72426	0.4
116.34482	0.4
123.04430	1.1
131.04895	0.5
133.10104	0.6
137.02336	4.9
137.05957	0.6
139.03984	0.5
141.06979	0.6
144.04510	0.4
147.04485	0.9
147.08052	0.4
148.03952	4.3
149.02357	0.5
150.09149	1.1
151.03922	4.4
163.03928	1.6
167.03500	0.4
172.03894	1.0
175.03931	0.9
176.04630	0.4
177.05476	1.8
179.06973	0.6
181.04974	0.6
185.05954	0.8
187.03888	0.8
190.04924	0.6
191.03406	1.1
191.07027	1.1
193.04984	3.5
197.05986	1.5
198.03279	0.4
199.03926	0.5
200.29520	0.4
201.05513	0.6
202.02710	0.5
203.03510	0.4
204.06523	1.6
205.04999	1.9
207.06528	1.5
208.07339	1.1
212.04678	0.7
213.05493	3.7
214.06248	0.6
215.03392	1.1
219.02896	1.4
225.05476	1.7
226.02643	0.9
227.03404	4.0
227.06984	0.6
230.05736	0.4
234.05276	2.5
237.05681	0.5
239.03413	0.7
239.07040	0.8
241.04987	4.0
242.05765	0.9
243.02966	0.6
243.06496	0.5
244.03705	1.3
245.08278	0.4
252.04234	1.5
253.04938	0.9
255.02878	0.6
255.06587	1.7
257.04367	0.6
257.08093	1.3
257.13028	0.4
258.05267	1.5
266.05640	0.7
267.06436	0.9
268.03769	1.0
269.04462	6.1
271.06131	0.6
273.07611	1.9
280.03598	2.3
281.04501	1.0
282.05237	1.0
283.02557	1.1
283.06046	3.5
285.04565	0.7
285.07489	3.0
285.12341	1.8
286.04666	2.9
295.06021	7.4
297.03986	8.0
297.07605	2.9
298.04681	2.0
298.07996	0.7
299.05270	0.6
301.07050	13.0
310.04184	0.4
311.05554	3.9
312.06314	0.5
313.07074	10.3
315.08575	1.6
325.07123	0.9
326.07870	1.5
327.08621	1.4
328.05673	0.7
328.09302	1.3
329.06580	26.3
341.10120	0.5
343.08118	3.2
344.08902	7.0
359.11276	100.0
359.29398	1.5
360.11469	2.6
373.80661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1126
Annotation	Quercetin 3,5,7,4'-tetramethyl ether
Peak:m/z	Relative Intensity
51.27639	0.7
55.05500	0.7
55.55515	0.6
65.76463	0.5
66.06100	0.7
68.54279	0.7
69.63943	3.2
71.13116	0.7
88.22228	0.7
105.07060	0.8
107.08564	0.7
110.29810	0.6
121.06512	0.8
135.04466	1.3
137.05840	0.7
149.05948	1.5
151.03928	14.2
153.05334	0.7
157.06435	0.8
163.03935	1.7
168.05753	0.7
178.60811	0.8
179.03342	0.7
181.04970	2.2
182.07285	0.8
183.07991	1.1
185.06013	1.1
191.07101	0.6
194.05833	0.8
196.05196	0.8
197.05983	1.9
199.07455	1.0
200.08418	1.0
201.05511	1.9
210.06871	0.8
211.07556	3.9
212.08128	1.0
213.05484	4.9
215.06987	1.0
223.03909	0.9
225.05479	2.8
226.06227	1.2
227.07043	7.3
228.07735	2.0
229.04985	2.9
239.07054	2.9
240.07886	5.6
241.04996	10.6
241.08542	1.1
242.05688	1.1
243.10242	1.4
245.08165	3.1
253.04968	8.1
255.06567	7.1
255.10237	1.2
256.07364	6.9
258.05127	1.4
266.05588	1.5
267.06580	2.2
268.07382	2.9
269.04465	5.5
269.08478	0.8
269.25314	0.7
271.09653	10.0
273.07562	1.1
281.04468	18.5
282.05203	0.9
283.06042	10.4
284.06754	2.7
294.05295	2.4
295.05902	1.3
296.06799	24.2
296.10138	1.3
297.03909	3.5
297.07190	1.1
299.09140	26.9
301.07104	2.2
311.05524	14.2
312.06186	4.4
313.07074	1.3
314.04349	2.3
326.07870	1.2
327.08661	38.8
328.09027	1.0
329.06598	9.8
331.11987	0.7
344.08920	3.5
359.11267	100.0
360.11639	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21968	1.4
57.03365	1.7
59.05004	8.2
67.30888	1.6
69.03421	1.9
70.06596	7.4
71.08128	3.4
71.08466	2.8
72.08142	5.6
79.05497	2.7
81.03422	2.3
81.07030	2.7
84.08128	3.3
85.02892	2.2
86.09683	1.8
87.04472	34.0
89.06031	69.9
95.04923	2.3
102.05502	4.4
103.03944	100.0
103.07552	4.4
107.07062	1.9
108.04450	3.7
109.02834	1.5
111.04459	1.4
119.08602	1.9
120.08141	2.2
121.08584	3.3
127.07575	1.6
130.06526	1.5
131.07042	8.4
133.08612	41.1
137.05957	2.5
138.09114	3.2
147.06508	9.3
151.03865	2.7
163.09644	3.8
166.08635	3.8
174.11194	1.7
175.09659	6.2
177.11237	9.3
191.09160	7.1
192.17952	1.7
196.04253	6.6
196.09689	1.7
196.13277	1.7
207.12268	5.8
209.13902	2.3
219.97134	1.5
235.11792	5.4
295.17490	4.5
341.17996	18.7
358.15387	7.7
359.17001	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	358.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01873	0.9
55.05505	1.2
56.05035	1.2
56.96553	1.6
67.82616	0.5
69.03425	2.3
69.07064	0.9
70.06591	1.0
71.04993	0.9
71.58057	0.6
72.08153	1.4
81.03426	0.6
82.06567	0.7
84.04535	0.6
84.08144	1.4
85.02912	4.1
85.06503	0.5
86.06056	0.5
86.09713	1.9
87.04462	0.7
89.06093	0.5
97.02899	1.9
97.07668	2.2
98.97617	2.8
99.04465	0.6
102.05558	1.0
110.06042	0.6
111.04433	0.6
112.07629	0.6
116.07115	0.6
128.07094	0.7
136.07610	1.0
137.05981	1.2
138.05502	0.5
157.36705	0.5
158.99583	0.9
163.03853	0.7
166.08672	1.5
168.06540	0.5
176.03416	1.2
178.05092	0.6
194.04535	0.5
196.06180	0.8
196.09494	6.8
205.05031	1.4
207.36748	0.5
218.06322	1.6
219.07014	0.5
237.02881	0.6
247.51585	0.5
254.15007	0.6
287.12238	0.5
298.17560	0.5
323.07547	0.8
340.10156	0.8
358.14780	100.0
358.19272	6.5
359.13708	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	357.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11295	1.3
53.03934	1.6
54.17539	1.3
55.01862	2.7
55.05517	13.3
65.03949	2.3
65.87298	1.2
67.05508	13.5
69.03416	5.9
69.07079	14.3
70.06573	1.4
71.04968	2.8
71.58801	2.6
77.72448	1.5
78.98762	1.5
79.05505	8.6
81.03404	3.7
81.07061	30.9
83.04980	2.5
83.08620	4.1
84.04468	1.5
85.02889	3.1
85.06529	4.3
91.05493	11.1
93.07054	15.7
94.04180	2.3
94.06545	4.0
95.04984	9.1
95.08127	1.5
95.08614	16.1
96.94118	1.3
97.02879	2.6
97.06514	3.3
97.10184	22.2
99.04450	2.6
99.08092	3.0
102.05534	5.2
105.07031	9.7
106.07362	1.6
107.05003	1.7
107.08605	15.1
109.02868	3.3
109.06486	4.4
109.10173	10.7
111.04407	2.0
111.08093	3.2
115.05490	2.2
116.04991	1.4
117.06955	2.2
119.08610	11.1
121.06505	2.7
121.10167	8.9
122.03616	5.6
122.06047	11.7
123.04436	1.4
123.08022	3.9
123.11703	7.1
125.09605	5.2
127.03912	3.2
130.05034	2.0
131.08572	2.4
133.02818	1.6
133.10132	8.5
135.04411	1.5
135.11693	12.6
136.07587	4.1
137.05991	46.4
139.11201	4.2
140.07089	3.0
143.04984	1.9
143.08600	1.7
143.10654	7.9
144.04460	2.5
145.02824	1.9
145.06480	1.4
145.10110	3.7
147.11719	7.0
149.09659	3.6
149.13252	3.9
151.03923	36.8
151.05022	3.0
151.11125	3.2
153.09081	1.5
153.12775	9.0
157.10133	2.4
159.11679	4.4
163.03853	1.5
165.05516	2.0
165.12724	2.3
167.07065	2.5
167.10756	1.6
171.10210	1.4
172.03963	16.6
173.13451	1.8
175.07570	1.8
177.05463	3.7
177.16489	1.7
179.08629	1.6
179.14304	1.4
189.16452	1.6
191.06979	2.9
204.06587	26.7
205.08644	1.5
209.15486	2.3
235.07732	1.7
235.17017	2.1
246.37259	1.5
249.05661	1.7
253.17957	1.7
263.06909	1.7
285.22165	2.4
288.58655	1.6
291.23123	4.2
303.23181	6.7
307.09637	5.0
309.11612	1.7
309.24258	3.0
321.11346	2.7
321.24219	4.6
325.32358	1.5
327.12323	1.8
339.12408	4.4
357.09760	3.6
357.13635	11.5
357.18823	100.0
357.25345	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	357.1699
Annotation	Juglanin A
Peak:m/z	Relative Intensity
55.05513	2.2
56.96565	2.5
57.07057	0.9
65.03947	2.6
67.05499	5.7
68.99790	1.2
69.07079	7.7
69.26083	1.1
77.74785	1.1
79.05488	4.8
81.03393	1.2
81.07066	9.3
81.50900	1.0
83.08609	1.7
85.02907	1.4
85.06544	1.7
91.05487	33.3
93.07049	8.4
95.04984	9.9
95.08624	6.7
95.09135	1.2
98.21460	2.2
103.05499	1.8
105.03405	1.7
105.07038	13.2
107.04961	2.2
107.08596	5.2
108.02097	1.5
109.06538	1.6
109.10161	5.8
110.24237	1.0
111.04475	1.9
117.07019	3.2
119.08616	5.6
121.06506	3.2
121.10165	6.3
123.04443	2.0
123.08049	1.4
123.11681	2.6
125.05994	1.6
128.06236	3.2
129.07010	2.0
131.05011	1.2
131.08563	3.3
133.06531	1.6
133.10135	4.8
135.11703	2.9
136.05208	1.4
137.05989	4.5
143.08560	3.7
145.10152	6.1
147.08067	1.0
147.11707	2.6
148.05212	3.0
149.05989	1.7
149.09671	2.0
149.13268	2.0
151.03922	37.8
151.07552	12.8
153.05545	1.3
153.06987	3.0
155.08562	2.8
157.10132	2.8
159.11726	2.6
161.06017	4.7
163.03940	3.5
165.07103	1.7
166.07755	3.4
167.06999	1.4
169.10155	1.8
171.08023	1.7
171.11827	1.2
173.13231	3.0
175.03973	1.5
175.07579	1.2
177.05476	5.4
179.07051	7.0
179.08524	2.2
181.04955	6.0
181.06381	2.0
181.10141	2.7
183.08051	1.7
187.14854	1.2
189.05484	6.0
189.16634	1.1
191.03325	1.1
191.06998	1.4
191.08601	2.5
194.07281	2.9
195.08058	1.7
199.07614	5.7
199.14934	1.3
201.05482	1.9
201.16341	1.3
203.10649	1.3
205.04980	3.0
207.06526	9.1
207.08121	1.4
208.09059	1.1
209.05991	1.7
209.09648	2.7
211.07591	2.3
213.09204	1.7
213.16359	1.1
225.09099	1.5
226.06255	1.5
227.07072	1.8
229.08675	1.5
237.09077	2.9
239.07208	1.2
239.10606	2.0
241.08714	1.8
249.09012	1.4
251.10747	1.4
253.08611	2.0
254.05846	1.4
255.06686	1.1
257.11768	2.1
267.07141	1.9
267.10175	49.6
269.08121	11.6
270.08868	1.5
279.10236	3.0
281.08148	3.6
283.05942	2.5
285.11215	2.6
295.13489	1.8
297.07571	14.8
298.08365	7.2
305.13040	1.2
313.10699	100.0
314.11118	2.2
321.14859	6.9
325.07114	4.1
329.10233	5.8
339.08652	1.2
339.15909	32.6
339.26730	2.6
351.12732	1.4
357.09637	8.9
357.16824	2.4
357.20581	3.0
357.24167	1.5
357.27875	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	357.17
Annotation	Deoxypseudopterolide
Peak:m/z	Relative Intensity
52.78259	1.4
53.03945	2.2
55.05511	2.7
56.96550	4.2
57.03418	1.7
61.02906	2.6
61.92938	1.7
65.03937	1.6
67.05505	8.5
69.03412	3.0
69.07051	4.1
69.26814	17.5
71.04983	2.4
79.05496	8.0
81.03415	6.0
81.07052	6.8
83.04975	2.9
83.08625	2.3
85.02898	2.2
91.05487	68.5
93.07051	6.0
95.04971	6.7
95.08606	6.0
97.06531	6.6
98.20780	3.5
98.97585	3.4
103.05486	2.7
105.03368	2.5
105.07032	12.9
107.08599	4.4
109.02863	2.1
109.06506	2.2
109.10182	4.2
111.08094	1.8
115.05495	2.0
117.07010	2.7
119.08590	5.3
121.06532	1.7
121.10135	1.9
123.04459	1.8
123.08034	1.8
129.07054	1.9
131.04903	2.0
131.08495	2.8
133.10127	2.2
135.04459	2.6
137.06007	5.2
143.08627	2.0
145.06570	2.3
145.10091	3.5
146.03584	2.3
147.11694	2.8
148.05190	2.7
151.03874	12.0
151.07584	2.8
153.05603	2.2
153.06932	2.9
155.08562	2.6
157.10085	2.8
159.11697	2.4
161.06027	3.7
163.03876	5.6
163.07585	2.0
165.06850	2.5
166.07808	6.8
167.07045	1.8
169.06378	1.7
169.10168	2.8
172.03911	2.3
174.03026	2.6
177.05455	4.7
179.08553	4.2
181.10071	5.9
189.05534	13.4
189.09064	1.7
191.07050	2.0
191.08574	4.0
192.04082	2.2
193.12201	2.1
194.07222	3.2
197.05931	4.6
198.06761	7.6
201.05507	5.3
203.10934	1.8
204.06590	3.2
205.04970	2.6
207.06413	3.7
207.08138	2.1
209.05896	1.8
209.09560	5.3
210.06781	3.2
211.07538	6.1
211.11200	2.2
211.13202	2.1
212.08376	2.9
213.09093	3.1
215.07039	3.4
215.10669	1.7
217.08557	2.0
225.05345	2.4
225.09143	3.6
226.06224	12.3
229.04964	3.5
237.05470	2.2
237.09090	7.1
239.03407	2.6
239.06992	2.6
239.10681	3.8
240.07730	3.3
241.04921	3.0
241.08554	7.4
243.06520	2.0
243.10182	2.1
249.09074	2.4
253.04945	3.3
254.05783	15.5
255.06474	3.4
265.08649	1.8
267.10208	100.0
268.07428	14.6
268.10178	2.2
269.08096	19.6
269.12326	3.0
270.12534	3.0
271.05997	7.8
279.06741	2.1
279.10150	3.0
282.05286	8.1
283.05948	3.1
285.07382	2.1
285.10239	8.3
295.05923	2.3
295.13181	3.1
296.06818	12.1
297.07629	22.4
299.05527	4.2
310.04715	1.9
311.05399	2.1
313.07010	5.2
313.10684	4.7
314.07986	10.5
321.14801	7.5
325.07120	21.7
329.10226	67.7
339.15955	74.7
342.07315	4.0
343.08215	2.9
357.05759	3.4
357.09702	39.3
357.13522	2.7
357.17065	7.1
357.24228	6.2
357.28052	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	357.17
Annotation	Tephrowatsin C
Peak:m/z	Relative Intensity
53.03942	1.6
54.11501	1.8
56.96571	1.8
65.03941	2.9
67.05497	5.4
69.07063	4.2
71.37775	2.9
79.05491	5.5
80.44964	1.5
81.07059	9.6
83.08636	1.8
91.05488	30.8
93.07033	5.8
95.04980	10.9
95.08613	5.9
103.05471	3.7
105.07043	10.1
107.04967	81.0
107.08594	5.8
109.06552	2.9
109.10177	4.4
117.07023	2.9
119.08566	5.0
121.06499	4.3
121.10149	4.4
124.08750	1.5
131.04947	5.2
131.08598	2.2
131.60941	1.9
133.06535	1.8
133.10213	3.8
135.11694	2.3
136.05199	3.9
137.05994	6.8
137.09599	2.2
145.10136	2.5
147.04451	2.8
147.11670	3.2
147.61479	1.5
148.05226	3.4
149.05978	7.4
151.03922	36.5
151.07553	13.2
159.04422	5.7
159.11719	2.9
161.06041	5.4
163.03842	2.0
166.07860	3.3
167.08649	1.5
173.13260	2.0
177.05507	21.5
179.07050	7.6
179.08542	2.7
181.04927	3.9
181.06413	1.8
185.13246	2.3
189.05476	48.7
191.07076	2.4
191.08737	2.2
199.07452	1.8
199.11275	1.5
203.07082	3.5
205.04999	7.2
207.06482	9.5
209.09576	1.9
211.07599	2.3
227.07098	2.3
237.09097	2.2
247.05968	1.7
253.08791	1.7
255.06532	2.1
257.11725	2.8
267.10168	39.2
269.08121	10.2
270.09113	1.8
279.10205	2.1
283.06476	3.3
283.09659	61.0
285.11227	2.1
296.29590	2.9
297.07584	12.7
298.08408	8.1
301.10742	7.1
313.10712	100.0
314.11234	2.4
321.14880	5.7
329.10129	5.7
339.15982	45.2
349.43326	1.7
357.09711	8.7
357.16861	6.2
357.20697	2.9
361.49741	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1699
Annotation	2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone
Peak:m/z	Relative Intensity
53.03938	1.6
55.05520	4.0
56.96561	3.5
57.03426	1.7
65.03943	2.7
67.05496	5.0
69.03419	3.7
69.07072	2.7
69.46564	9.7
71.04981	1.7
73.02940	2.0
79.05492	5.8
81.03419	4.8
81.07072	9.3
83.08607	2.2
84.14489	1.6
85.06512	2.0
86.90500	1.6
91.05485	65.3
93.07040	3.7
95.04966	3.8
95.08601	7.3
97.02902	3.0
97.06522	5.2
98.21423	3.3
103.05474	3.6
105.03407	2.0
105.07049	11.7
107.04944	3.0
107.08611	4.3
109.02889	1.9
109.06525	2.6
109.10175	3.4
115.03934	1.7
119.08588	4.4
121.06475	1.4
121.10109	2.8
129.06943	2.2
131.00255	1.8
131.04936	2.3
131.08577	3.2
133.10155	3.0
135.04436	4.4
135.11673	1.6
137.05974	3.7
137.09621	1.8
141.07014	2.2
145.06564	1.9
145.10123	3.2
151.03912	9.2
151.11229	3.2
153.05574	1.5
153.06987	1.6
155.08607	2.5
157.10124	2.0
159.04439	2.3
161.05910	2.6
163.03912	3.8
165.06960	3.7
166.07808	4.6
167.07040	2.8
167.08641	2.0
171.11758	2.1
173.05974	2.2
174.03110	2.0
177.05463	5.0
179.07074	3.5
179.08530	4.4
181.06477	2.5
181.10162	5.2
183.04433	2.1
187.11197	2.1
189.05533	7.6
191.08585	3.9
193.12230	2.3
194.07320	3.4
195.08171	1.9
197.06123	2.1
198.06790	4.1
201.05502	3.9
203.10675	2.2
204.06549	3.6
207.06538	4.4
209.09634	5.3
210.06671	1.7
211.10988	1.4
215.07027	2.1
225.05539	2.2
226.06281	7.6
237.09131	7.0
239.03423	1.7
239.10672	3.4
240.07878	1.8
241.08629	5.6
241.12341	1.9
243.10173	2.5
249.09114	3.3
253.04948	1.9
254.05803	7.7
255.06270	1.6
267.10193	100.0
268.07312	10.4
268.09970	2.2
269.08047	11.4
271.06064	4.5
279.10080	2.6
282.05237	5.0
283.05951	2.8
285.10519	6.3
295.13419	3.8
296.06818	6.4
297.07602	13.7
299.05582	3.2
313.06998	3.8
313.10544	4.4
314.07782	9.0
321.14755	8.8
325.07129	15.8
329.10236	46.1
329.13831	1.7
330.10617	2.3
331.21045	1.7
339.15961	78.6
343.08118	2.2
346.20108	1.8
357.05679	2.9
357.09671	30.2
357.16931	5.1
357.24261	4.5
357.28055	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1698
Annotation	2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone
Peak:m/z	Relative Intensity
50.72440	0.8
56.38572	1.1
56.96560	1.1
67.05496	2.9
69.03403	1.3
69.07051	1.9
71.19343	1.1
79.05480	2.9
81.03418	2.4
81.07053	2.0
91.05488	68.9
91.65862	1.0
93.07038	2.0
95.04934	1.7
95.08599	2.0
97.06542	2.1
103.05476	2.3
105.03369	1.6
105.07039	8.1
107.08592	1.7
107.67668	1.1
109.06618	1.1
119.08578	2.3
122.27957	1.1
131.04938	2.4
133.10112	1.9
134.03641	1.1
136.06598	1.0
137.06001	1.6
143.08533	1.1
151.03929	3.0
151.07526	1.7
159.04417	2.7
163.03937	1.2
165.07005	2.5
166.07765	4.2
175.07487	1.4
177.05460	1.9
178.07762	2.3
179.06985	1.7
179.08588	3.2
181.04973	1.2
181.10121	4.6
183.04419	1.2
189.05492	9.5
190.07869	1.2
191.08577	3.7
194.07188	3.2
198.06795	1.3
201.05432	1.9
203.10675	1.5
207.08104	1.8
209.09607	4.6
210.06795	1.6
211.11244	1.4
213.09073	1.4
215.10757	1.6
217.08531	1.5
219.08133	2.0
221.09692	1.3
225.09023	2.5
226.06241	4.5
235.07585	1.4
237.09079	8.0
239.10663	5.0
241.08539	4.1
243.10202	2.1
249.09248	1.4
251.10658	2.3
254.05701	4.6
264.11099	1.1
267.10196	100.0
269.08179	10.8
279.10135	2.1
282.05301	2.2
285.10617	4.6
295.13272	3.3
297.07648	8.1
313.10718	3.0
321.14911	9.1
325.07114	5.6
325.10443	1.3
326.03455	1.2
339.15948	73.4
340.15930	1.4
357.09756	15.9
357.16751	1.5
357.20642	1.3
381.13297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1699
Annotation	2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone
Peak:m/z	Relative Intensity
61.79071	1.9
66.85632	1.9
69.56633	4.4
69.57061	8.8
73.47509	2.0
74.96461	1.6
79.05502	2.2
80.23962	2.1
81.07050	3.2
81.25345	1.6
81.93554	1.7
91.05489	65.2
95.08622	2.5
98.07950	1.8
105.07046	8.6
107.08607	2.5
109.10229	2.1
131.04950	2.5
143.08548	2.6
150.89490	1.9
151.03900	5.4
151.07617	1.9
159.04398	2.3
165.07077	2.7
166.07814	4.8
179.08583	3.9
181.10133	4.4
183.08133	2.3
189.05501	8.1
191.08478	3.7
191.86501	2.4
193.06532	2.0
194.07301	2.9
201.05513	3.4
209.09555	4.1
219.08052	3.3
237.09119	9.0
239.10600	2.8
243.10269	3.5
249.09264	3.2
251.10695	2.2
267.10187	100.0
268.10376	3.0
279.10275	2.6
285.11295	4.4
295.13257	2.0
313.10706	10.0
321.14804	13.4
339.15961	68.9
357.12604	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1699
Annotation	2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone
Peak:m/z	Relative Intensity
51.23410	3.1
69.54764	10.0
69.55186	10.8
77.62704	2.6
90.53594	2.6
91.04955	5.0
91.05489	59.7
95.05018	3.5
105.07044	8.7
112.03751	3.0
117.51479	2.5
139.49208	3.0
140.00967	3.1
151.03943	11.5
151.07555	6.1
166.07762	6.0
177.15817	2.7
179.08607	5.2
181.10101	5.7
189.05464	7.9
191.08630	6.6
201.05374	3.3
209.09549	4.7
211.11230	3.3
219.08051	3.1
237.09155	4.7
239.10799	4.5
243.10147	3.4
249.09088	4.4
253.08513	2.9
267.10184	100.0
268.10504	3.9
269.08362	3.2
285.11035	4.5
297.07553	5.1
298.08435	3.0
313.10797	37.0
321.14923	11.3
339.15955	73.5
350.77899	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	357.1697
Annotation	2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone
Peak:m/z	Relative Intensity
53.27835	1.9
71.02199	4.4
74.06658	1.9
91.05483	55.3
102.53439	2.1
105.03369	3.2
105.07036	4.3
159.04448	2.5
165.07104	2.2
166.07776	5.6
177.05472	2.7
179.08571	4.4
181.10124	3.8
189.05511	8.2
189.08969	2.1
191.08591	5.4
194.07367	2.9
201.05357	2.1
209.09639	2.8
237.09135	6.9
239.10696	3.4
243.10172	2.4
249.09384	2.1
267.10193	100.0
279.10223	3.9
285.11292	4.5
321.14825	10.0
339.15945	64.8
356.41830	2.4
357.12469	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	357.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43706	1.9
65.34885	1.8
67.05504	2.9
70.63124	6.7
70.84093	2.1
91.05482	53.2
95.04967	6.6
98.20823	2.5
103.05426	2.3
105.03378	2.1
105.07010	4.5
121.06517	2.6
151.03902	27.8
151.07495	10.0
161.05887	2.6
165.06946	3.0
166.07828	4.6
168.44324	2.1
176.69164	1.9
179.07007	7.4
179.08450	2.2
181.10045	4.7
189.05473	8.1
191.08611	2.0
193.10243	2.0
194.07277	3.4
201.05415	2.4
207.06519	6.8
208.08746	2.0
209.09575	2.5
213.09152	3.9
237.09056	5.9
239.10590	3.8
243.10184	2.1
257.11606	3.0
266.88855	2.0
267.07233	4.2
267.10165	86.3
269.08142	10.2
279.10132	2.6
281.08115	2.6
283.05936	3.1
285.11319	3.5
295.13318	3.2
297.07535	15.0
298.08389	6.0
313.10687	100.0
314.10971	2.4
321.14789	5.6
329.10172	2.4
334.45944	2.2
339.15955	58.0
345.07407	2.2
374.11963	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	357.1696
Annotation	Tephrowatsin C
Peak:m/z	Relative Intensity
67.09160	2.7
70.76599	4.5
70.76924	4.4
79.05486	4.0
91.05485	51.2
91.59476	2.6
103.05453	6.6
105.03370	3.0
105.07037	50.1
125.58353	2.6
137.32211	2.5
161.05957	4.2
165.07001	4.0
173.05968	9.4
175.07568	3.4
178.07709	3.8
181.10146	3.5
189.05499	3.7
193.90472	2.9
199.70232	2.9
201.05515	15.4
203.10619	3.8
237.09142	4.4
251.10675	3.2
251.58069	3.5
267.10205	45.2
279.10110	13.3
293.15405	3.5
297.11203	3.5
316.11740	3.3
321.14877	23.2
339.15964	100.0
368.65604	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	357.1695
Annotation	Tephrowatsin C
Peak:m/z	Relative Intensity
50.19489	1.3
50.49411	1.4
53.03931	2.1
55.05506	3.3
65.03946	2.7
67.05507	3.9
69.07062	3.5
70.50224	5.1
74.09715	2.6
74.93152	4.6
75.56892	1.2
79.05494	5.1
81.07036	6.1
91.05492	21.3
93.07054	15.0
95.04968	6.4
95.08581	2.4
103.05473	2.3
105.07038	49.2
107.08599	6.6
109.06488	1.9
109.10131	3.1
115.05449	1.9
117.07008	3.4
119.08586	4.6
121.06502	20.1
121.10183	3.4
129.06970	1.7
131.04947	3.7
131.08546	6.0
133.10136	100.0
135.04358	2.0
135.08090	1.4
135.11665	4.1
137.05960	5.1
145.10088	2.6
148.05167	2.1
149.05981	4.5
151.03911	44.5
151.07532	6.1
151.11197	7.3
159.11664	1.5
161.05959	2.8
161.56439	1.3
162.82579	1.5
163.03970	1.8
175.07582	1.5
177.05475	79.6
178.06140	1.8
179.07065	3.4
187.11105	2.5
189.05429	1.7
189.12740	1.6
191.07048	7.9
193.05042	1.9
198.06763	1.5
203.07059	2.6
205.04974	76.0
206.05655	3.3
207.06570	7.7
213.08881	1.5
215.10591	3.2
217.04974	3.6
219.06532	37.2
226.06172	2.7
227.07109	1.8
229.04839	1.7
229.08496	2.5
231.06506	2.8
233.08147	2.1
241.08701	2.1
253.08624	1.7
255.06467	1.9
259.09695	1.5
267.10144	4.1
269.08130	7.3
271.09576	2.8
281.08118	1.7
282.05194	2.9
283.06262	2.2
283.09659	7.1
287.12790	2.9
293.15442	2.7
297.07516	8.7
297.10696	2.5
298.08273	2.8
310.04800	1.7
313.10696	48.1
321.14798	6.1
325.07028	12.4
329.10193	3.3
339.15921	47.4
357.09857	13.2
357.16864	14.3
375.03036	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69849	0.2
55.92173	0.3
59.82912	0.2
63.62558	0.3
63.78970	0.3
65.03944	0.6
67.05490	0.5
69.03418	0.4
69.07057	0.4
69.50253	1.7
70.09628	0.2
79.05489	0.3
81.03429	0.3
81.07056	0.5
86.09679	0.3
89.03915	1.9
91.05473	0.7
93.07023	0.8
94.06592	0.6
95.07355	0.5
95.08586	0.6
96.08125	0.8
97.04049	0.3
97.06455	0.3
107.08579	0.4
108.08100	0.6
109.10144	0.3
110.09708	1.6
116.04984	10.1
120.08094	0.8
122.03593	0.3
122.06013	1.9
132.04434	0.4
134.06006	0.7
136.07559	1.6
137.05960	3.1
138.09157	1.4
144.04448	19.8
145.05128	0.4
146.05991	0.8
148.07578	0.7
151.03914	0.6
162.05510	5.2
166.08696	2.2
172.03935	63.2
173.04314	0.6
177.16373	0.5
187.87906	0.3
190.04955	0.6
204.06564	100.0
205.06909	1.2
230.05722	0.3
241.44922	0.3
246.30202	0.3
257.43912	0.3
265.04694	0.3
298.15680	0.3
325.11841	0.4
329.15176	0.4
339.13434	0.6
357.14676	1.3
357.18362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1698
Annotation	Tephrowatsin C
Peak:m/z	Relative Intensity
55.05483	1.5
65.03915	2.5
67.05511	4.3
79.05499	2.4
81.07081	3.3
91.05484	72.9
93.07053	2.2
95.04980	3.3
95.08619	2.3
96.78613	1.8
103.05471	2.3
105.03368	2.5
105.07040	6.7
107.08586	2.1
109.10162	3.7
119.08607	2.2
121.06512	2.8
131.04906	3.9
133.10152	10.2
133.48468	1.5
147.04350	1.9
149.06039	2.2
151.03911	5.2
151.07515	1.9
153.07039	1.8
159.04457	1.9
161.06018	3.7
165.07069	4.1
166.07797	4.4
175.14787	1.6
177.05490	12.5
178.07748	3.3
179.08514	4.2
181.10143	7.0
181.26190	1.4
183.08067	2.0
189.05429	8.1
191.07132	1.7
191.08606	5.6
194.07315	4.1
205.04968	13.4
207.06470	1.7
209.09637	5.3
211.11150	2.0
215.07117	2.2
219.06412	2.9
224.08319	2.3
237.09132	9.6
239.10739	3.4
249.09177	3.2
254.05621	2.2
257.82019	1.7
267.10184	100.0
273.49878	1.9
279.10089	1.8
283.09637	1.7
291.09927	1.7
295.13278	2.1
297.07532	4.6
313.10693	15.9
321.14856	10.9
325.10553	1.9
329.10355	2.7
339.15936	61.4
357.09686	3.5
357.16901	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	357.1697
Annotation	2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone
Peak:m/z	Relative Intensity
65.03948	1.7
70.21037	5.1
70.21410	3.3
71.67983	1.7
76.58811	1.5
77.34570	1.4
91.05486	60.3
103.05470	2.0
105.07040	7.8
105.81622	1.3
131.04939	2.3
135.04417	12.2
156.79991	1.5
159.04430	2.1
161.57175	1.5
166.07826	3.0
179.08549	4.5
181.10172	5.1
184.38959	1.5
189.05441	7.9
191.08621	3.7
194.07265	2.9
209.09671	4.9
211.11086	1.7
219.08087	2.1
224.77048	1.5
237.09166	7.4
239.10666	3.2
243.10245	2.5
244.99957	1.6
249.09071	1.8
267.10196	100.0
268.10547	2.4
285.11328	2.6
295.13287	2.2
311.09195	4.4
321.14838	9.9
339.15952	65.8
349.28360	1.6
357.09766	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	357.1334
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
53.03949	0.3
55.01886	0.5
57.03426	0.2
57.03835	0.2
65.03938	0.6
65.20535	0.2
66.04726	0.6
67.05511	0.6
68.78664	0.2
69.03430	0.6
69.19904	2.0
69.66138	0.2
70.06572	0.2
71.04991	0.3
79.05495	1.0
81.03426	0.9
81.07051	0.8
83.04974	0.3
84.08147	0.3
85.02904	0.4
85.06548	0.4
86.09705	0.4
87.98855	0.2
90.99762	0.2
91.05499	1.2
93.07061	0.6
94.04192	2.2
95.04961	0.7
95.21239	0.2
97.02912	0.4
97.06539	0.2
98.21518	0.4
105.07022	0.4
107.04966	0.7
107.08616	0.4
108.02094	0.5
109.02918	0.3
109.06525	0.4
109.10149	0.6
111.04401	0.4
115.05476	1.6
117.07022	1.1
119.08575	0.3
122.03657	7.0
125.09645	0.5
128.06256	0.3
129.07033	0.7
131.04970	0.3
137.05984	100.0
138.06303	1.0
141.05490	0.5
143.04929	5.8
144.04440	0.4
144.09262	0.2
145.06500	0.8
146.06102	0.2
149.06021	0.3
151.03920	21.3
151.05025	1.8
155.06035	0.3
157.06488	0.5
160.05173	0.3
161.05981	0.6
163.07664	0.3
165.05472	0.5
171.04417	0.3
172.03938	1.2
175.07574	2.3
177.05379	0.3
187.07581	0.3
189.09076	0.5
190.04999	0.3
191.07021	0.4
192.58101	0.2
192.85919	0.2
196.11223	0.3
203.07059	2.5
204.06569	2.3
205.08609	2.8
215.06898	0.3
219.08032	0.3
235.07468	0.3
237.09315	0.3
246.06740	0.3
247.07436	0.3
263.07129	0.3
267.09967	0.3
269.08463	0.2
279.10257	0.6
297.70810	0.3
307.09677	0.5
321.11182	1.0
327.12292	10.9
328.12384	0.4
339.12338	0.9
342.25146	0.3
347.95520	0.3
357.13312	17.7
358.13754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05535	0.2
56.77900	0.2
57.13116	0.1
59.44936	0.2
59.68616	0.2
60.12376	0.2
63.89447	0.2
65.03931	1.1
67.05515	0.3
69.03432	0.4
69.07075	0.4
71.35888	0.3
75.43072	0.1
79.05502	0.8
81.03413	0.4
81.07047	0.7
84.08169	0.2
85.02892	0.3
89.03926	3.0
91.05466	0.6
93.05791	0.4
93.07046	1.2
94.06563	0.7
95.04956	0.4
95.07352	0.3
95.08617	0.4
96.08146	1.0
97.06514	0.2
98.97565	0.3
99.42237	0.2
103.05452	0.3
105.07027	0.5
107.08584	0.3
108.08118	1.2
109.10100	0.3
110.09686	1.4
111.04462	0.2
116.04983	12.9
117.03398	0.2
118.06535	0.2
119.08587	0.3
120.08124	1.2
121.10146	0.4
122.06028	2.1
123.08065	0.2
127.03935	0.2
131.08560	0.3
132.04448	0.3
133.10130	0.2
134.06042	1.1
136.07587	2.2
137.05974	2.0
138.09140	1.2
144.04449	23.2
145.02827	0.3
145.05196	0.3
145.10188	0.2
146.06015	0.7
147.04489	0.2
148.07542	0.6
151.03888	0.3
159.11687	0.2
160.04001	0.3
162.05510	6.6
166.08650	2.3
167.07143	0.2
172.03937	72.3
173.04318	0.8
174.05513	0.4
176.07079	0.4
177.05481	0.7
177.09032	0.2
189.04196	0.5
190.05020	0.8
204.06564	100.0
205.06886	1.0
236.09598	0.2
251.10931	0.2
325.11261	0.4
329.14932	0.3
339.13321	0.2
346.01297	0.2
357.14200	1.8
357.18814	5.5
357.25485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09529	0.6
53.00296	0.6
53.03946	1.3
55.01870	1.8
55.05511	0.9
65.00808	0.5
65.03932	2.5
67.05507	4.6
68.99780	1.8
69.03425	1.3
69.07060	1.2
69.49465	0.5
71.04990	0.9
71.57681	1.0
79.05505	9.8
81.03415	1.9
81.07071	3.5
83.04993	0.8
85.02897	0.9
85.06538	1.0
89.03899	0.7
91.05466	2.6
93.03413	3.6
93.07063	2.6
95.04982	3.2
95.08614	2.1
96.05759	1.4
97.02896	0.7
97.06545	0.7
99.04439	0.7
103.05470	1.2
105.03376	0.8
105.07033	2.1
106.04138	0.6
107.04960	6.2
107.08598	1.2
109.02888	1.3
109.06520	1.1
109.10174	1.1
111.04443	1.9
111.08080	1.6
115.05449	1.1
118.01395	0.5
119.04952	1.1
119.08593	1.0
121.02878	3.9
121.06508	1.3
121.10162	0.8
123.04416	2.6
123.11703	1.0
124.05215	2.0
125.05983	2.5
127.03931	3.5
129.06982	0.6
131.08635	1.1
133.10143	1.0
135.04449	3.1
137.02382	1.0
137.04988	0.8
137.05991	7.9
137.09653	0.6
138.03075	3.0
138.23953	0.5
139.07553	18.2
143.04996	0.8
145.10130	0.9
147.04373	1.3
147.11684	0.7
149.02289	1.0
149.06007	1.0
151.03918	60.0
152.04704	9.6
153.05489	9.2
159.11745	0.8
160.05164	0.8
161.06027	0.7
162.03094	1.1
163.03915	2.2
165.05498	1.4
167.07056	20.1
172.03932	1.6
175.03920	6.9
175.11075	0.7
176.04678	1.5
177.05472	1.7
185.06039	0.6
191.07050	3.3
193.05031	1.6
195.06549	100.0
196.06982	0.7
204.06613	2.9
207.06421	0.8
211.07599	0.7
218.07184	0.6
221.06020	1.0
235.07623	0.7
241.08511	0.6
249.05495	0.7
265.94055	0.6
269.07764	0.6
297.07614	1.2
307.06305	1.0
307.09515	0.7
313.10760	1.7
325.07059	1.5
327.12308	0.8
329.10159	1.2
339.08673	1.1
339.15250	0.7
357.09506	2.1
357.13489	1.9
357.20422	0.9
357.24921	1.0
362.28821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03170	0.5
55.05510	0.5
65.03955	1.6
67.05502	1.3
68.99792	0.5
69.07066	1.1
69.64114	0.9
69.64530	1.0
77.03924	0.4
79.05476	1.5
80.02626	0.4
81.07045	1.4
83.08654	0.3
91.05488	4.8
93.03406	0.3
93.07047	1.4
95.04972	10.1
95.08620	0.9
98.97632	0.3
105.07037	4.9
107.04955	1.3
107.08582	0.9
108.02084	1.4
108.05726	1.0
108.90583	0.3
109.06559	0.4
117.07034	0.5
119.08585	1.3
121.06513	1.7
121.10139	0.7
123.04430	1.5
125.05993	2.0
126.89623	0.3
131.04881	0.4
133.02855	0.6
133.10115	1.7
135.04451	0.9
136.05194	2.2
137.05971	2.0
139.07533	0.6
143.08582	0.5
145.04872	0.3
145.10129	0.9
147.11659	0.3
148.05203	2.9
149.05986	0.5
151.03912	74.7
151.07535	14.6
152.04274	0.4
153.05460	0.5
153.06972	0.4
159.11707	1.0
161.02377	0.3
161.05984	2.0
161.13274	2.5
162.03143	0.8
163.03979	1.9
169.04980	0.8
169.06416	0.3
173.09621	0.8
175.03975	0.8
177.05484	1.1
179.07037	8.1
181.05002	0.7
181.06517	0.7
182.07297	0.5
183.08029	0.4
185.05991	0.4
189.12791	0.7
191.03381	1.5
191.07117	0.3
191.57080	0.3
192.04173	1.1
197.06085	0.4
198.06674	0.4
199.07576	0.6
205.05002	0.5
205.12296	0.9
207.06535	6.1
207.13741	0.5
209.05930	0.7
210.06660	0.4
211.07576	1.1
213.09094	1.3
215.10744	0.4
217.12164	0.4
222.06790	0.3
224.08315	0.4
225.05545	0.4
225.09084	0.5
226.09848	0.6
227.07057	1.2
231.94080	0.3
238.06235	0.5
239.07092	1.3
241.08551	1.6
251.07027	0.7
252.07790	0.6
253.08690	1.0
254.05809	0.8
254.09354	1.5
255.06546	1.4
257.11765	2.4
257.63947	0.3
266.05920	0.7
267.06635	0.9
267.10114	0.9
268.07523	0.3
269.08099	11.8
270.08841	1.6
281.08075	3.5
282.08817	1.1
283.06067	2.8
283.09039	0.5
284.06866	0.6
285.07791	0.5
285.11203	0.5
297.07581	12.7
298.08356	6.6
311.09305	0.4
311.16400	0.7
313.10703	100.0
314.07620	0.5
314.10941	1.9
325.07248	0.5
329.10199	2.7
329.17560	0.6
339.15964	1.5
357.09641	2.0
357.16806	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0972
Annotation	5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.87432	0.6
52.12381	0.5
53.03948	0.7
55.05508	0.7
56.96557	1.2
64.88734	0.6
65.03953	0.7
67.05493	1.7
69.03432	1.0
69.07059	1.1
69.51987	2.4
69.52398	1.1
71.04990	0.5
76.93900	0.5
79.05497	1.9
81.03403	1.1
81.07053	2.8
83.04981	1.3
85.02899	1.1
91.05478	7.1
93.07038	2.2
95.04980	2.1
95.08594	2.0
97.06543	1.8
98.97533	0.7
99.04463	0.7
103.05470	0.7
105.03405	0.7
105.07024	1.6
107.04956	0.7
107.08602	1.1
109.02901	1.1
109.06540	0.8
109.10167	1.2
111.04446	0.9
111.08105	0.8
117.06967	0.6
119.04949	1.0
119.08622	1.4
121.06506	1.9
121.10118	1.0
127.03918	0.8
131.04979	0.8
131.08597	0.9
133.10132	1.2
135.04445	3.7
135.08095	0.6
137.05992	1.5
141.07018	0.8
147.04424	1.5
151.03911	9.8
151.07535	1.3
152.06233	0.9
153.06990	0.8
157.10028	0.6
161.05940	0.7
163.73235	0.5
165.07031	0.6
165.09119	1.0
168.05696	0.7
175.03897	1.4
177.05467	2.3
179.07069	1.0
180.05727	0.6
181.06560	1.4
182.07301	4.5
183.04420	5.3
183.08047	0.6
184.05217	0.7
185.06030	0.7
189.05455	1.2
193.12126	0.5
195.04477	0.7
196.05249	0.8
197.06038	1.1
198.06776	11.2
205.05043	1.7
209.06006	1.9
210.06773	9.4
211.03934	4.6
211.07532	1.5
212.04704	0.6
213.09158	1.2
216.25844	0.6
219.06496	1.2
223.03964	4.0
223.07529	1.1
224.04749	0.8
225.05577	3.0
225.09106	7.8
226.06252	32.6
227.06924	1.1
232.03827	0.8
236.04660	1.0
237.05528	2.6
237.09052	0.6
238.06221	8.0
239.03426	6.8
239.07071	1.2
240.04053	0.9
241.04906	2.2
241.08604	23.0
242.05771	1.7
251.03421	1.0
251.07062	0.8
253.05005	1.0
253.08578	2.5
254.05765	27.7
255.06512	1.8
265.05127	2.7
266.05780	3.5
267.02887	2.0
267.06421	0.8
267.10211	11.3
269.08099	49.1
270.08563	0.7
271.06058	0.8
279.06509	4.6
281.08163	0.7
282.05240	19.3
283.06039	2.2
285.10034	3.3
293.04346	1.3
297.07593	47.1
298.07864	1.0
299.05618	0.8
310.04745	1.7
311.05487	1.8
313.10657	1.0
321.14966	1.3
325.07059	25.6
329.10352	0.6
339.15985	6.9
343.08237	3.1
357.09702	100.0
358.09955	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	357.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
53.72147	1.0
55.01874	4.3
55.05509	4.3
56.96566	2.0
57.03440	1.4
57.07059	1.6
57.46479	1.3
65.03942	4.0
67.05504	8.6
68.99808	2.8
69.03425	4.4
69.07062	4.4
71.16418	1.6
71.16739	2.1
79.05490	11.8
81.03419	3.9
81.07064	13.3
83.04981	2.9
85.02879	1.8
85.06530	2.1
91.05473	9.1
93.03404	5.0
93.07044	8.4
94.04204	1.5
95.04996	6.4
95.08611	8.0
97.02934	1.4
97.06551	2.4
97.10172	2.5
98.97589	4.4
103.05474	3.2
105.03405	1.3
105.07043	5.8
107.04958	8.0
107.08563	6.3
109.02861	4.2
109.06530	3.2
109.10158	5.4
110.03633	1.2
111.04412	2.7
111.08101	2.9
115.05486	2.2
116.98641	1.9
117.03352	1.3
117.06986	2.4
119.04946	2.4
119.08569	4.7
120.08069	1.2
121.02863	4.5
121.06493	2.9
121.10133	4.6
122.03633	3.3
122.66347	1.1
123.04444	4.2
123.08097	1.6
123.11705	1.6
124.05212	2.3
125.05982	3.7
127.03901	5.4
128.06296	1.4
131.04939	2.5
131.08545	3.0
133.10115	2.8
135.04373	3.7
135.11685	2.2
136.07652	1.4
137.05998	25.9
137.09627	2.7
138.03131	3.2
139.03922	1.3
139.07553	15.9
143.08609	2.4
145.06520	2.3
145.10126	3.9
147.04405	3.8
147.08011	1.3
147.11705	2.2
149.05986	5.9
149.09683	1.9
151.03917	63.1
151.07518	3.8
152.04710	9.7
153.05435	8.9
157.10178	1.6
159.08095	1.9
159.11693	1.8
160.05148	2.0
161.05960	6.9
161.09624	1.3
162.06808	1.4
163.03918	3.6
163.07545	1.6
165.05496	7.2
165.06979	2.4
165.09122	2.7
167.07057	21.2
172.03929	4.3
175.03928	5.1
175.07474	1.9
176.04695	2.3
177.05498	4.8
177.09113	2.2
177.16432	1.4
187.07559	1.5
189.05435	1.6
189.06877	2.3
190.07761	1.3
191.07016	2.9
191.08578	2.7
193.05051	1.7
195.06548	100.0
199.15039	1.4
203.07152	3.0
204.06541	8.5
205.04918	2.2
205.08600	2.3
207.06496	2.1
218.07352	2.5
219.08055	5.5
219.10100	2.8
221.06085	2.1
222.06728	1.4
223.07590	1.3
235.07614	2.1
246.06848	2.1
247.07591	3.7
249.08977	1.4
251.10799	2.3
253.08366	1.4
261.09128	3.3
264.07779	2.2
267.10086	1.4
269.08170	2.5
274.06238	1.3
275.07101	3.2
277.08603	2.7
279.06796	1.4
279.10159	2.1
289.08624	5.7
290.09378	1.5
295.09656	2.0
297.07596	2.2
306.08908	2.3
307.09756	12.7
309.11249	1.6
313.10806	2.1
321.11191	8.5
321.24280	1.9
325.07150	3.3
327.12326	6.6
329.10132	3.4
339.08643	2.1
339.12247	3.7
339.15802	2.0
357.09418	6.7
357.13525	6.9
357.19778	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	357.097
Annotation	derrusnin
Peak:m/z	Relative Intensity
53.03917	0.8
55.05506	1.0
56.96569	4.1
65.03940	1.6
67.05502	2.2
69.07070	1.1
69.97198	2.2
69.97609	2.3
79.05518	1.9
79.08912	0.7
81.07050	2.2
83.04974	1.0
83.50214	0.8
91.05482	6.6
93.07050	2.5
95.04977	9.4
95.08643	1.7
98.21463	1.0
105.07031	3.3
107.04941	1.5
107.08612	1.5
109.06496	0.9
110.97601	2.2
117.06974	1.1
119.08591	1.8
121.06503	1.7
121.10129	1.1
123.04413	1.2
128.98625	1.8
131.08580	1.3
133.10072	1.0
135.04428	0.9
136.05257	1.0
137.06003	2.2
145.10135	1.3
146.99649	1.0
147.04405	2.8
148.05194	3.2
151.03917	34.7
151.07544	13.1
153.06949	0.8
159.08203	0.9
161.06013	2.5
162.03128	0.9
163.03937	2.5
175.03981	1.3
179.07060	5.4
184.05226	1.0
187.14777	0.9
189.05554	1.8
191.03429	1.8
191.07065	8.6
192.04321	0.9
198.06767	0.8
199.07443	1.1
201.05443	1.5
207.06528	7.6
209.05992	1.4
213.09070	1.9
225.05510	2.1
226.06233	2.0
227.07060	2.0
229.08742	0.9
231.06573	0.9
236.04742	0.9
237.05470	1.4
237.09146	1.1
241.08594	2.0
243.06561	3.7
251.07060	2.0
252.04330	1.1
253.04979	3.0
254.05698	7.0
255.06523	10.9
257.04498	9.0
257.11792	2.2
266.05835	1.4
267.03745	0.8
267.06674	4.5
267.10117	7.6
268.07367	1.6
269.04797	1.6
269.08087	14.5
270.08749	1.1
271.05978	1.4
281.04681	1.7
281.08136	5.9
282.05246	33.2
282.08496	2.0
283.06030	19.8
284.06802	0.9
286.04932	1.0
293.04355	1.6
295.06107	1.8
296.06723	1.8
297.07590	50.9
298.08319	7.0
299.05478	2.7
310.04672	1.6
311.05548	26.8
311.08804	1.7
313.10693	100.0
314.07727	0.9
314.11160	1.3
316.16821	6.4
324.06390	1.4
325.07034	24.8
326.07892	34.5
327.05023	6.3
327.08377	1.4
329.10129	6.2
333.17429	1.7
334.17697	11.1
339.08627	1.5
339.15942	5.5
342.07199	5.8
352.18808	2.4
357.09705	92.6
357.19333	2.3
357.27802	2.3
369.49539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0974
Annotation	G(8-O-4)Esculetin
Peak:m/z	Relative Intensity
51.02383	1.2
53.03953	1.5
60.44468	1.1
65.03925	2.5
67.05490	2.3
69.07091	0.9
69.59074	6.7
79.05482	2.3
81.07072	1.8
86.24663	0.9
91.05492	1.7
95.01298	2.4
95.04980	15.0
98.20794	1.5
107.04943	1.8
108.02095	3.3
109.02917	1.3
110.03674	5.8
118.04166	1.4
119.04948	1.1
121.02847	1.1
121.06547	1.0
122.03679	1.3
123.04460	2.7
124.05213	2.0
125.06016	10.2
134.03642	3.0
135.04425	4.7
136.05188	1.2
137.05962	1.4
139.07544	5.6
148.05154	1.3
149.05997	37.1
150.03081	1.6
151.03912	100.0
151.07533	5.9
153.05481	18.4
161.06007	3.3
162.03059	1.2
163.03961	6.7
164.04678	3.1
165.05476	3.4
167.07050	37.3
169.05008	1.7
177.05464	3.6
179.03447	9.8
179.07001	5.8
181.04982	2.9
189.05479	5.5
191.03334	6.3
193.04962	25.5
194.24397	1.1
197.05998	1.2
198.06760	2.5
205.04976	29.2
206.05704	1.2
207.02911	2.1
207.06537	17.7
210.06778	2.5
211.07545	1.1
217.64850	1.2
225.05486	2.4
225.09004	1.9
226.06313	7.4
229.04976	1.4
233.04520	3.0
238.06326	1.3
239.07098	1.8
241.08614	6.1
251.05495	17.7
252.04158	1.7
253.04974	2.3
254.05786	4.9
266.05667	2.0
267.06509	6.5
268.07312	2.8
269.08099	10.8
271.06049	1.8
273.11383	2.3
278.05914	1.6
279.06433	1.0
280.03677	1.7
282.05142	4.2
283.06061	2.2
295.05991	16.9
296.06750	6.1
297.07596	8.7
299.05356	1.8
301.10641	1.7
309.03967	1.1
310.04794	2.1
311.08975	1.8
313.07144	1.7
313.10779	2.0
314.07852	2.5
323.05518	3.1
324.06360	3.7
325.07028	3.7
329.10226	42.1
330.10461	1.3
339.08643	42.5
339.14999	1.8
340.09155	1.2
357.09702	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.097
Annotation	derrusnin
Peak:m/z	Relative Intensity
53.47652	1.0
56.78169	1.1
65.43053	1.1
67.16259	1.0
68.90235	1.1
70.46705	3.9
92.21352	1.1
95.04970	2.5
107.04962	3.2
123.04474	2.3
135.04390	1.9
137.06035	1.3
147.04417	13.9
148.05147	3.5
149.05936	1.2
151.03935	12.1
153.05450	2.2
163.03902	6.1
164.04703	2.3
175.03941	2.8
176.04672	4.6
177.05429	1.6
178.06306	9.0
179.03427	8.3
191.07042	40.0
191.08791	2.0
193.05060	1.5
197.06015	1.8
198.06850	2.8
201.05499	1.9
205.04958	1.4
209.06009	2.1
210.06731	2.4
225.05519	2.1
226.06236	9.7
227.07039	2.1
229.05048	2.3
231.06633	2.2
233.04480	4.1
239.03477	1.8
240.04196	1.2
241.08647	4.5
243.06549	3.4
253.04973	4.4
254.05762	11.0
254.70436	1.2
255.06546	3.9
257.04495	7.7
257.07889	1.1
259.06082	3.4
260.19962	1.1
264.04050	1.8
265.05042	2.0
267.03070	1.5
267.06503	3.5
267.65839	1.1
268.07242	3.9
269.08109	7.8
270.09048	1.3
271.06012	3.8
272.06760	1.7
273.11188	1.4
281.04572	2.4
281.08118	1.9
282.05234	25.1
283.06018	8.2
285.07571	8.9
286.08350	1.5
295.06137	1.8
296.06812	2.6
297.07593	32.9
298.05029	1.6
298.08264	2.3
299.05502	2.9
300.06284	1.6
310.04739	8.6
311.05472	8.4
313.07068	12.7
313.10364	2.0
314.07907	5.5
315.08636	9.0
325.07083	71.3
326.07855	11.2
327.05011	3.4
329.10217	71.3
330.10495	1.3
339.08612	2.7
342.07443	4.1
357.09711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0969
Annotation	Milldurone
Peak:m/z	Relative Intensity
53.00303	1.2
53.03938	0.9
65.03942	0.9
66.50748	0.9
67.05517	1.1
68.99788	1.0
69.84239	4.5
79.05482	3.3
89.03914	1.0
91.05479	4.7
92.02592	0.9
95.04970	5.8
98.21490	1.2
98.97559	0.9
102.04685	4.6
103.05450	3.2
103.11519	0.8
105.03414	0.8
105.04545	1.2
105.07038	4.0
107.08563	1.0
110.03645	3.1
115.05438	2.0
118.04185	9.4
119.04939	1.1
121.06517	3.4
122.03569	1.1
123.04419	1.7
125.06010	4.0
126.03118	1.2
130.04143	2.2
131.04915	1.0
133.06506	10.1
133.10075	0.8
134.03629	1.5
135.04463	5.2
137.05981	1.4
141.05464	3.5
145.06516	5.8
146.03639	13.8
148.05228	1.3
149.05948	1.1
151.03918	20.5
151.07539	3.8
153.05460	4.1
161.05989	100.0
162.03157	1.9
163.03873	4.2
169.04988	4.3
175.03943	1.3
177.05484	34.6
179.03400	2.4
179.07059	1.4
181.04967	27.1
181.06525	1.8
189.05478	83.6
190.06046	1.2
193.04950	2.7
194.05797	5.4
198.06848	1.7
201.05470	2.4
205.04991	1.7
207.06537	89.0
207.77399	1.1
208.07054	1.4
211.07523	0.8
213.05557	1.3
215.03516	0.9
215.07004	1.4
225.05548	3.7
226.06311	9.8
227.07047	1.0
229.05020	1.4
230.08165	1.9
240.07820	0.9
241.08569	1.8
245.37474	1.3
251.07166	1.0
254.05847	4.6
255.06476	1.0
265.05115	1.1
267.06464	1.1
267.10211	2.1
269.08105	15.2
271.05997	1.7
271.09366	0.9
279.06448	1.0
281.08203	2.1
282.05240	3.5
283.05984	2.1
283.09656	0.9
295.06091	1.3
297.07578	12.0
298.08401	1.7
299.05432	1.0
299.09201	1.2
301.10791	0.9
311.09158	3.9
313.10699	30.9
315.08707	1.1
321.14822	1.2
324.06552	1.4
325.07166	5.0
327.08765	1.4
328.74445	0.9
329.10190	13.0
339.08743	4.8
339.16013	4.2
342.07199	1.1
357.09717	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	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91024	2.3
55.05497	6.8
57.03427	2.7
57.07066	5.3
61.12688	2.0
61.55027	2.4
61.59265	2.1
62.06091	100.0
66.00399	2.2
66.71702	2.0
67.05504	15.5
69.07075	11.8
71.04982	3.9
71.08627	6.0
71.58054	3.1
79.05478	7.8
81.07065	16.1
83.04971	3.7
83.08609	4.0
91.05476	12.0
93.07048	12.2
95.04967	5.4
95.08581	13.8
99.08105	2.7
105.07041	12.2
107.04935	2.7
107.08583	7.0
109.10151	3.7
117.07050	3.5
119.08553	7.0
121.10143	6.8
131.08562	4.7
133.10139	16.2
135.11670	5.1
141.12773	6.0
145.10146	7.4
147.04372	2.9
147.11696	4.3
151.03934	8.3
159.11670	4.8
161.05952	3.9
177.05391	7.1
178.06223	3.0
179.07104	3.8
185.13264	3.0
191.06976	6.9
201.16365	6.6
203.07039	6.9
204.07472	4.9
205.04958	9.1
207.06619	6.5
210.14844	4.2
226.18002	11.0
228.16118	4.4
229.57993	2.7
255.06645	2.6
267.09970	3.2
277.21567	5.8
282.05115	3.5
283.05875	3.4
295.22644	5.0
297.07504	8.0
313.07407	3.8
313.10629	19.6
320.25873	22.1
325.07007	5.3
326.08081	2.9
329.10117	18.6
330.31006	2.5
333.18869	3.0
338.26923	64.1
339.15753	4.0
356.08618	13.9
356.15613	4.6
356.27649	10.1
357.09653	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	356.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
53.54342	0.7
54.79132	0.7
55.01867	1.6
55.05513	6.2
56.05033	1.5
56.96558	1.4
58.06609	1.5
65.03945	1.4
67.05512	4.5
69.03431	1.7
69.07072	2.1
70.06589	2.2
70.84805	0.7
71.05004	1.8
71.29165	1.5
72.04522	1.9
72.08157	7.3
72.93793	1.2
79.05479	1.3
81.03411	1.2
81.07056	1.7
81.15633	0.7
82.06611	1.2
83.04977	8.1
84.04514	1.2
84.08138	3.2
85.02908	2.2
85.06545	2.1
85.08924	1.1
86.09700	2.9
87.08115	1.8
88.03992	1.0
91.05487	2.5
93.07063	0.8
95.04960	2.3
96.08129	1.2
97.02879	1.1
98.97593	2.3
99.04448	0.9
100.07659	1.0
101.06040	1.3
102.05547	9.8
102.09183	2.1
105.07025	1.3
107.04968	1.1
107.08637	1.0
108.02131	2.6
110.09685	1.9
111.04433	2.0
113.05994	1.2
115.07575	1.9
116.10753	1.1
119.08569	1.6
120.08089	0.8
125.05939	1.5
126.09187	0.9
127.03916	1.0
128.10728	21.0
131.08560	0.9
136.32680	0.7
137.05981	1.8
138.09239	0.9
140.07062	1.0
141.05437	2.1
143.07068	2.8
145.10092	1.0
151.03918	100.0
151.05020	8.4
156.10210	28.2
156.11481	1.6
158.97417	0.9
160.13327	13.0
166.04955	1.1
168.06615	0.9
174.11249	9.9
176.98482	1.0
177.05569	1.3
179.94762	0.8
180.07794	1.3
182.56741	0.9
188.12814	14.9
188.14412	1.2
194.08125	1.3
202.05750	0.8
206.13889	17.2
219.01831	1.0
324.14432	4.7
356.13199	1.5
356.17053	32.6
356.20596	2.0
357.15295	2.8
358.08347	1.0
376.80252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01870	7.3
55.82191	1.4
56.96559	1.4
57.03424	5.9
61.02925	6.6
68.99782	1.6
69.03081	2.1
69.03438	40.9
69.07066	6.0
70.06593	3.1
71.05002	3.6
71.25204	2.2
71.25529	2.5
72.74880	1.3
73.02909	5.7
73.06564	16.0
81.03042	1.8
81.03426	19.4
85.02909	100.0
87.00832	51.5
87.04459	1.7
91.03931	2.0
97.02280	2.4
97.02895	31.0
98.97584	2.4
99.04466	12.8
102.05551	2.5
105.01871	87.8
109.02886	24.5
117.01891	2.8
124.57139	1.4
127.03925	66.3
129.01846	2.6
140.07062	2.6
145.04968	26.6
147.02905	1.7
151.07559	1.7
159.02878	10.4
160.87140	1.4
168.06525	5.4
189.03949	2.7
193.04938	2.0
194.05379	1.9
194.08134	1.8
213.03987	4.6
231.04973	17.7
247.33852	1.5
249.06105	5.5
345.29944	1.5
356.13275	2.9
357.15271	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	355.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01871	4.0
55.05513	39.3
57.03427	7.0
57.07087	13.2
65.03933	4.2
67.05510	87.4
69.06726	3.1
69.07075	46.5
70.06578	2.5
71.04977	3.8
71.08614	6.3
79.05500	31.3
81.07062	100.0
83.04948	2.6
83.08620	25.7
85.06509	3.3
88.07633	3.1
91.05482	70.3
93.07058	35.1
95.04959	5.6
95.08613	87.7
96.44104	2.5
97.06527	11.1
97.10192	19.3
98.20721	6.0
105.03400	7.5
105.07030	25.6
107.08601	22.4
109.06503	5.9
109.10171	47.9
110.97620	3.6
111.08051	3.4
111.11686	5.8
117.61520	2.8
119.08607	20.7
121.06513	5.2
121.10155	27.1
123.08011	3.0
123.11723	23.2
125.13276	3.5
129.05443	2.9
129.07007	3.8
131.08595	4.4
133.10130	26.6
135.11682	20.5
137.09573	6.3
137.13254	9.1
143.08559	4.3
145.10086	3.3
147.11671	18.2
149.13264	18.5
151.03902	4.8
151.07542	3.7
151.14874	7.0
153.07018	3.4
159.11705	3.5
161.13303	15.1
163.14836	15.9
165.06985	7.1
165.16412	7.5
166.07788	4.6
167.08505	3.1
168.09093	3.1
173.13248	3.2
175.14835	12.1
175.16110	2.8
177.05467	6.6
178.07747	2.8
179.08516	4.7
179.17911	4.4
182.07317	3.1
187.14818	2.7
189.16440	7.6
191.17900	3.0
195.08058	6.4
203.07028	3.4
203.18019	4.2
205.05017	13.6
210.06740	3.1
221.06201	2.9
223.07533	3.9
240.07817	2.8
243.06584	4.1
245.22664	56.9
253.08473	9.2
255.10222	9.6
257.08139	3.2
263.07101	3.1
263.23718	51.3
267.06506	2.8
271.09705	6.2
281.08072	35.1
282.05179	2.8
283.09662	11.7
299.09128	4.6
315.16281	6.4
319.13165	2.8
333.17270	9.9
337.14355	45.0
337.27365	34.3
338.14624	3.4
351.18539	3.2
355.08191	28.5
355.15308	20.3
355.28772	8.4
355.33981	17.8
360.25525	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	355.2845
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
53.03926	3.6
55.01853	5.3
55.05304	2.8
55.05520	30.4
57.03422	12.6
57.07071	13.2
67.05515	61.8
69.07072	53.3
71.08638	5.4
71.55975	3.6
79.05498	29.4
81.07066	78.1
83.04990	6.8
83.08641	28.3
85.06560	3.1
85.10163	3.3
91.05490	40.3
93.07064	33.3
95.08619	73.4
96.41919	2.7
96.50890	3.0
97.06548	7.7
97.10179	18.5
103.05479	4.8
105.07051	31.4
107.08614	28.8
109.10165	52.3
111.08055	5.4
111.11688	6.1
119.08597	27.7
121.10157	36.7
123.11715	18.6
123.14157	2.9
131.08598	4.8
133.10129	20.4
135.11742	16.3
137.05989	4.1
137.13264	8.7
139.11159	4.9
143.08516	5.3
145.10118	6.6
147.11696	20.0
149.02290	3.4
149.05995	4.1
149.13261	19.0
151.03934	18.8
151.14816	9.8
157.10175	4.6
159.11716	6.9
161.06027	4.5
161.13235	15.8
163.14789	13.3
165.16418	8.8
166.07748	3.8
171.11694	4.0
173.13310	5.4
175.14838	12.1
177.05508	6.8
177.16380	4.2
185.13326	4.9
189.16405	10.1
191.08655	4.3
203.07086	5.7
203.17969	6.7
205.04958	10.1
209.09673	3.2
213.16507	4.4
245.20343	4.8
245.22688	36.3
254.99712	3.8
262.66824	3.6
263.23770	40.1
267.10135	11.7
268.53949	3.9
281.08151	4.3
283.09634	12.1
295.13248	4.4
309.14920	8.2
337.14487	17.0
337.27377	23.2
355.08273	19.7
355.15128	16.9
355.28165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	42.3
57.02070	2.8
57.03433	9.9
57.07083	16.5
67.05511	72.3
69.03428	4.3
69.07074	46.8
69.30819	24.5
69.31213	6.3
71.08628	9.7
72.08139	5.2
72.91508	2.6
73.04744	2.7
79.05495	31.3
81.07066	100.0
83.04987	5.7
83.08623	26.0
85.02930	3.7
85.06559	5.0
85.10194	4.5
88.07642	4.3
91.05485	51.5
93.07052	52.9
95.04984	7.4
95.08609	78.1
97.06529	8.2
97.10166	23.2
99.08055	3.7
103.05460	3.8
105.03432	4.8
105.07047	41.6
107.04939	4.8
107.08597	33.3
109.06480	5.4
109.10170	55.2
111.08125	3.4
111.11729	5.1
111.49525	2.7
117.06985	5.4
119.08586	37.8
121.06515	8.6
121.10146	38.0
123.11722	29.3
127.11189	5.6
127.41291	2.6
129.05531	3.8
129.06963	4.8
131.08578	16.1
133.10143	29.5
135.08049	5.4
135.11679	21.5
137.09607	3.9
137.13258	9.7
143.08572	5.0
145.06505	3.3
145.10136	11.4
147.11682	19.5
149.09628	10.8
149.13295	17.9
151.03897	15.2
151.11185	6.6
151.14877	7.7
153.12727	3.9
157.10164	8.8
159.04329	3.3
159.11693	12.6
161.06000	5.5
161.13242	17.8
163.03975	3.8
163.14827	17.8
165.16406	6.4
166.07793	7.3
167.07133	3.2
167.08525	4.3
169.10110	5.0
171.11723	7.2
173.05992	4.9
173.13252	8.5
175.14886	12.5
177.05482	13.7
177.16431	5.4
178.07759	3.6
179.08601	5.2
179.17964	6.0
185.13226	6.6
187.04002	3.3
187.14845	6.5
189.05501	11.0
189.09094	3.2
189.16367	6.5
189.71759	2.9
191.08647	5.8
197.13194	6.3
199.14853	5.0
201.05450	7.3
201.16455	4.5
203.03439	4.3
203.07028	21.2
203.18080	3.3
205.04965	27.5
209.09596	4.5
213.09239	4.2
215.17914	3.3
217.04982	3.0
217.08611	5.6
221.04546	3.4
227.17943	4.5
231.10162	7.7
234.24359	2.9
237.09193	7.4
239.10774	6.2
245.22681	31.7
249.09045	3.2
252.80797	3.2
253.08748	4.0
263.23767	34.4
265.08636	8.0
267.10162	27.1
269.22610	6.6
279.10187	8.6
281.08209	5.9
281.11688	3.8
283.09637	28.7
291.13742	3.0
295.13385	4.2
309.14905	27.0
313.40826	2.7
337.14368	30.1
337.27490	21.4
338.34174	7.5
355.08279	25.5
355.15289	38.6
355.19116	4.4
355.22662	5.6
355.25977	4.3
355.30243	27.7
355.36819	5.7
356.35358	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	355.1729
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.35785	0.7
55.05505	1.6
67.05514	1.2
69.03440	1.2
69.07082	1.0
69.56344	4.5
73.04736	0.7
79.05473	0.9
81.07050	1.8
82.06580	0.8
83.04987	1.2
83.95049	0.8
85.02904	2.7
87.00835	1.3
91.05486	1.7
93.07040	2.5
95.08606	1.6
100.11284	1.7
105.07043	1.2
107.04945	1.1
107.08609	1.4
109.06548	1.0
109.10153	1.1
111.04431	2.1
111.08088	1.5
119.08630	1.4
121.10143	0.9
127.03964	1.6
128.07152	1.0
137.05968	2.1
147.04388	1.0
148.54486	0.9
149.05989	0.9
149.09700	1.0
161.07166	1.3
163.03915	1.2
179.06973	1.0
182.15433	1.9
182.45073	0.8
189.07066	0.8
193.04945	1.1
201.03729	9.7
201.05495	4.9
203.05298	3.3
210.14886	3.8
234.06836	1.0
262.06470	0.8
283.06128	1.8
295.35114	0.8
305.07999	0.9
337.07379	0.9
337.21274	1.4
355.08029	3.7
355.17319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35785	0.7
55.05505	1.6
67.05514	1.2
69.03440	1.2
69.07082	1.0
69.56344	4.5
73.04736	0.7
79.05473	0.9
81.07050	1.8
82.06580	0.8
83.04987	1.2
83.95049	0.8
85.02904	2.7
87.00835	1.3
91.05486	1.7
93.07040	2.5
95.08606	1.6
100.11284	1.7
105.07043	1.2
107.04945	1.1
107.08609	1.4
109.06548	1.0
109.10153	1.1
111.04431	2.1
111.08088	1.5
119.08630	1.4
121.10143	0.9
127.03964	1.6
128.07152	1.0
137.05968	2.1
147.04388	1.0
148.54486	0.9
149.05989	0.9
149.09700	1.0
161.07166	1.3
163.03915	1.2
179.06973	1.0
182.15433	1.9
182.45073	0.8
189.07066	0.8
193.04945	1.1
201.03729	9.7
201.05495	4.9
203.05298	3.3
210.14886	3.8
234.06836	1.0
262.06470	0.8
283.06128	1.8
295.35114	0.8
305.07999	0.9
337.07379	0.9
337.21274	1.4
355.08029	3.7
355.17319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.3
67.05521	1.6
69.03449	0.8
69.07081	0.9
69.41994	7.2
71.04998	4.8
71.21513	0.9
79.05499	1.6
81.07058	1.6
85.00803	1.0
91.05486	31.9
93.07034	1.7
95.04957	2.2
95.08630	1.6
97.19686	0.8
103.05512	2.0
105.03378	1.3
105.07055	2.6
107.04942	1.4
107.08608	1.7
109.10125	1.1
115.05444	1.3
117.07025	1.1
119.08623	1.6
121.06495	1.2
122.03640	1.2
122.40642	0.9
131.04935	1.4
133.06505	1.5
135.07970	1.1
137.06047	1.6
147.11691	1.3
149.06035	1.2
151.03925	10.3
151.07524	3.4
152.04303	2.1
153.05482	2.4
159.04413	1.3
161.06023	6.2
162.06352	1.0
163.03955	2.2
165.06987	2.1
166.07704	2.4
167.07033	3.2
168.07332	1.2
169.03094	1.1
177.05490	11.1
177.06935	1.2
178.06223	1.5
178.07784	15.0
179.07065	3.5
179.08562	28.0
181.10095	1.4
183.02937	1.2
183.53047	2.4
184.02917	1.5
185.04382	0.9
185.54660	1.7
186.53525	0.9
189.05473	3.9
189.07005	1.3
190.03537	1.0
190.06267	3.5
190.54077	1.4
191.07057	3.6
191.08629	2.4
192.07785	5.0
193.10207	1.1
194.07336	2.2
201.05721	1.5
201.09108	1.0
201.12680	1.0
201.55933	1.7
202.06039	0.8
203.07060	1.5
205.05028	4.1
206.07228	1.2
207.08105	6.6
209.09637	1.8
211.07527	1.1
219.08005	6.1
221.02980	3.9
221.09695	2.1
222.03226	2.6
222.06868	2.3
223.02744	1.1
235.07552	11.0
237.00740	1.4
237.09111	9.1
249.09125	26.3
250.09679	1.4
251.07082	1.1
259.57022	1.2
264.56320	1.1
265.08624	100.0
266.08777	2.0
266.58121	1.3
267.06921	1.5
267.10199	14.0
271.57721	1.1
272.07599	2.6
272.57489	1.7
273.56937	2.5
274.06827	1.6
275.58569	2.8
276.08469	1.8
277.08783	5.2
277.11572	1.0
279.10190	2.2
280.57822	3.7
281.08255	5.1
281.58072	2.5
283.09686	67.2
284.09900	2.3
285.08972	1.8
287.09164	1.2
289.58246	2.3
290.08588	2.6
290.58502	1.4
291.13898	2.0
292.08636	1.1
295.09753	2.2
295.13239	1.1
297.03915	1.2
309.14890	3.2
311.05505	2.0
319.13297	7.0
324.06348	1.3
325.03433	2.0
337.14368	68.0
338.14618	2.3
354.05469	1.8
354.60287	4.3
355.07816	5.5
355.11392	5.3
355.15286	16.8
363.60846	5.0
364.10739	5.1
364.60880	2.1
370.08368	1.3
372.61395	1.6
373.11688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1543
Annotation	Helichromanochalcone
Peak:m/z	Relative Intensity
65.03944	2.3
67.05521	1.6
69.03449	0.8
69.07081	0.9
69.41994	7.2
71.04998	4.8
71.21513	0.9
79.05499	1.6
81.07058	1.6
85.00803	1.0
91.05486	31.9
93.07034	1.7
95.04957	2.2
95.08630	1.6
97.19686	0.8
103.05512	2.0
105.03378	1.3
105.07055	2.6
107.04942	1.4
107.08608	1.7
109.10125	1.1
115.05444	1.3
117.07025	1.1
119.08623	1.6
121.06495	1.2
122.03640	1.2
122.40642	0.9
131.04935	1.4
133.06505	1.5
135.07970	1.1
137.06047	1.6
147.11691	1.3
149.06035	1.2
151.03925	10.3
151.07524	3.4
152.04303	2.1
153.05482	2.4
159.04413	1.3
161.06023	6.2
162.06352	1.0
163.03955	2.2
165.06987	2.1
166.07704	2.4
167.07033	3.2
168.07332	1.2
169.03094	1.1
177.05490	11.1
177.06935	1.2
178.06223	1.5
178.07784	15.0
179.07065	3.5
179.08562	28.0
181.10095	1.4
183.02937	1.2
183.53047	2.4
184.02917	1.5
185.04382	0.9
185.54660	1.7
186.53525	0.9
189.05473	3.9
189.07005	1.3
190.03537	1.0
190.06267	3.5
190.54077	1.4
191.07057	3.6
191.08629	2.4
192.07785	5.0
193.10207	1.1
194.07336	2.2
201.05721	1.5
201.09108	1.0
201.12680	1.0
201.55933	1.7
202.06039	0.8
203.07060	1.5
205.05028	4.1
206.07228	1.2
207.08105	6.6
209.09637	1.8
211.07527	1.1
219.08005	6.1
221.02980	3.9
221.09695	2.1
222.03226	2.6
222.06868	2.3
223.02744	1.1
235.07552	11.0
237.00740	1.4
237.09111	9.1
249.09125	26.3
250.09679	1.4
251.07082	1.1
259.57022	1.2
264.56320	1.1
265.08624	100.0
266.08777	2.0
266.58121	1.3
267.06921	1.5
267.10199	14.0
271.57721	1.1
272.07599	2.6
272.57489	1.7
273.56937	2.5
274.06827	1.6
275.58569	2.8
276.08469	1.8
277.08783	5.2
277.11572	1.0
279.10190	2.2
280.57822	3.7
281.08255	5.1
281.58072	2.5
283.09686	67.2
284.09900	2.3
285.08972	1.8
287.09164	1.2
289.58246	2.3
290.08588	2.6
290.58502	1.4
291.13898	2.0
292.08636	1.1
295.09753	2.2
295.13239	1.1
297.03915	1.2
309.14890	3.2
311.05505	2.0
319.13297	7.0
324.06348	1.3
325.03433	2.0
337.14368	68.0
338.14618	2.3
354.05469	1.8
354.60287	4.3
355.07816	5.5
355.11392	5.3
355.15286	16.8
363.60846	5.0
364.10739	5.1
364.60880	2.1
370.08368	1.3
372.61395	1.6
373.11688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1542
Annotation	Helichromanochalcone
Peak:m/z	Relative Intensity
53.03934	1.6
53.12338	1.3
54.39925	1.4
55.05502	3.8
57.07074	3.0
63.19217	1.2
65.03928	2.0
67.05480	4.8
69.07076	8.9
70.03824	6.1
71.08611	3.4
75.61630	1.3
77.00053	1.5
79.05470	5.4
81.07056	10.3
83.04987	1.7
83.08630	1.9
89.04085	1.2
91.05478	39.8
93.07053	8.2
95.04966	2.6
95.08595	8.2
98.20785	1.2
103.05495	7.0
105.03374	4.4
105.07029	14.6
107.08605	7.6
107.33708	1.2
109.06528	2.3
109.10136	9.7
115.05443	3.3
117.07002	4.6
119.04938	1.5
119.08585	9.4
121.06484	2.7
121.10140	3.9
123.11690	3.2
128.06206	1.4
129.07005	2.7
131.04921	4.0
131.08540	3.8
133.10123	7.7
134.03635	1.5
135.04385	2.2
135.08057	1.6
135.11682	2.7
141.06987	1.9
143.08516	3.8
145.10120	5.6
147.04405	1.7
147.11662	3.8
149.05969	5.8
149.13252	2.1
151.03870	6.9
153.06975	2.6
155.08585	2.1
157.06529	1.4
157.10161	2.4
159.04404	3.2
159.11670	4.1
159.18349	1.3
161.05963	5.4
161.13261	2.3
162.03143	2.9
163.14778	1.5
165.06999	3.9
166.07819	6.5
167.07024	1.6
167.08536	1.9
170.07387	1.4
171.08061	1.7
171.11693	1.3
173.05948	3.7
173.13191	3.1
175.03833	2.2
175.07465	2.4
175.14844	1.9
177.02074	1.4
177.05479	38.4
178.07762	3.2
179.08620	3.9
181.10027	6.3
187.14828	2.5
189.05498	10.2
189.09045	3.2
191.07007	2.6
191.08562	5.5
191.10464	2.4
192.04236	1.9
194.07253	4.1
195.07927	2.0
198.06784	1.3
199.14925	1.7
201.05519	5.4
201.09108	1.7
201.16446	2.0
203.03386	5.9
203.07042	6.4
203.18042	2.3
205.04968	85.9
207.08081	2.4
209.09612	4.8
211.07599	2.9
213.09041	4.1
217.05019	2.0
217.08530	6.0
219.08028	4.2
221.04295	2.2
222.06766	1.5
225.09128	2.3
231.06509	1.9
231.10144	7.7
235.07570	2.7
237.09119	11.7
239.10764	1.9
241.08658	3.2
249.09106	3.8
250.14375	1.3
253.08591	4.7
255.10378	2.5
263.07016	4.9
265.08609	9.7
267.10168	35.7
268.10577	2.2
269.22601	1.7
279.06918	1.2
279.10123	5.5
281.08127	9.0
281.11151	2.1
281.15070	2.2
283.09665	100.0
284.10059	3.0
295.13254	4.6
297.11353	1.5
309.14841	25.3
319.13214	5.2
337.14368	38.4
354.40900	5.7
355.08551	8.7
355.15366	53.8
355.22733	3.5
355.30212	6.2
355.41156	2.8
356.35391	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	355.1541
Annotation	Vismione B
Peak:m/z	Relative Intensity
52.24735	1.3
63.85852	1.0
65.03926	2.3
65.59786	1.0
67.05531	1.2
69.07068	1.5
69.95656	3.1
69.96066	2.2
73.04785	1.1
73.14448	1.1
75.13699	1.1
79.05484	1.3
85.69611	1.2
91.05489	100.0
92.05785	1.4
93.07032	2.3
95.08597	1.5
101.57068	1.1
105.03423	7.9
105.07043	12.5
109.06418	1.1
115.05421	1.4
117.06989	2.1
121.06516	3.9
129.06995	3.4
135.04424	1.5
141.07045	2.5
142.07834	1.2
143.08580	1.5
145.10104	1.4
150.83701	1.2
151.03929	7.3
153.07018	5.0
154.07773	1.5
155.04955	2.5
155.08556	1.8
157.06490	2.2
157.10008	1.1
163.03867	1.5
165.07042	11.6
166.07764	5.0
167.08583	4.5
171.08044	1.8
173.05951	1.4
177.05530	1.5
178.07803	3.7
179.08521	6.8
181.06490	4.5
181.10103	3.1
182.07281	3.9
185.06058	1.0
187.07504	1.1
189.05498	2.8
191.08636	1.3
192.09384	1.3
193.06560	4.3
193.10150	1.7
194.07233	3.5
195.08057	4.7
197.05907	1.5
197.09659	2.4
199.07498	1.4
201.05382	1.4
203.07033	2.1
207.08090	5.1
209.06038	1.6
209.09596	4.7
210.06839	6.5
216.09332	2.5
217.04912	2.8
217.31897	1.1
219.06561	2.4
221.05948	2.1
222.06754	2.4
223.07553	4.2
225.09148	4.3
227.07001	1.5
227.10652	4.4
233.13249	1.9
234.06792	1.5
235.07578	2.4
237.05208	1.4
238.06334	6.2
240.07825	3.4
247.09805	1.5
249.05530	2.1
249.12804	4.3
251.07065	2.6
253.08572	9.4
255.10202	25.4
259.11160	3.3
261.12857	1.7
263.06879	1.9
265.05130	1.8
266.05783	7.1
267.10129	1.7
271.09726	13.7
277.12115	4.8
279.06555	2.4
279.13806	3.7
281.08096	42.3
283.09625	1.9
287.10626	2.3
295.09637	2.0
296.04355	1.1
297.11221	2.2
299.09128	6.2
305.11691	6.9
309.14691	1.6
319.13239	3.4
323.12836	1.9
337.14355	39.7
339.05157	1.1
355.08292	5.4
355.15417	9.8
373.08292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87556	0.6
54.38926	0.6
55.05491	1.4
56.96561	0.7
57.72064	0.7
64.12416	0.6
67.05487	2.3
69.03431	1.2
70.72396	1.5
70.72728	0.7
77.03902	0.6
82.06586	6.3
85.02910	0.7
91.05457	0.8
94.06578	0.8
97.02882	0.9
98.06063	1.4
98.97585	1.0
106.06624	0.7
110.06047	18.4
122.06028	1.7
123.94107	0.6
126.05522	8.5
128.07077	2.2
136.07582	57.2
137.07852	0.8
138.05515	2.5
140.07083	1.0
150.05486	0.8
152.07072	2.8
164.07077	100.0
166.05159	0.6
170.09698	0.7
182.08139	75.1
183.08478	1.2
193.04974	1.7
230.08101	0.7
256.09863	1.3
259.10873	1.7
301.11752	1.3
302.10245	2.7
319.12952	4.9
320.11246	1.3
337.13986	1.1
338.13208	1.8
355.15128	1.1
364.41519	0.9
375.97678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1541
Annotation	Vismione B
Peak:m/z	Relative Intensity
55.01875	0.8
55.05512	0.8
55.67895	0.8
65.03940	3.4
67.01867	1.4
67.05521	0.7
69.07060	2.5
70.81792	1.9
77.03953	0.7
79.05479	1.8
81.03451	0.8
81.07059	1.9
91.05486	100.0
93.07050	1.4
95.04988	1.7
95.08601	1.3
98.21431	1.1
103.05484	2.2
105.03407	6.4
105.07037	9.7
107.04973	1.8
107.08605	1.6
115.05468	1.8
117.07023	3.0
119.08566	0.9
119.97299	0.9
121.06509	4.9
128.06194	2.0
129.07028	3.3
131.08572	1.0
135.04430	2.4
137.05968	1.1
141.07008	2.4
143.08492	1.0
145.06488	1.9
147.08047	1.3
151.03885	9.5
152.06186	2.0
153.05676	1.0
153.07011	5.1
154.07790	1.3
155.04915	3.6
155.06029	1.0
155.08597	2.1
157.10004	0.9
161.05981	1.2
163.03929	1.5
165.07007	12.3
166.07802	3.7
167.08591	5.6
169.06532	1.1
169.10147	0.8
170.07269	0.9
171.04483	0.8
171.08061	1.3
173.05977	1.7
177.05559	1.2
178.07803	3.5
179.03304	0.9
179.08560	5.3
181.06471	4.2
181.10046	3.7
182.07291	3.5
183.07967	1.0
185.05998	1.1
185.09622	1.9
189.05457	2.1
190.07837	0.8
191.08672	1.3
193.06505	4.2
193.10063	1.6
194.07344	2.2
195.08044	5.6
197.09607	2.2
199.07439	1.3
201.05502	1.2
202.07886	0.8
203.07065	3.0
205.04982	2.5
207.08092	4.8
209.06030	1.4
209.09621	5.4
210.06802	5.4
211.07413	1.3
212.08234	1.4
215.08607	1.6
216.09386	2.6
217.04968	3.0
218.10939	1.0
219.06485	2.1
219.08298	1.2
221.05994	2.9
221.09685	2.3
222.06647	1.2
223.07524	5.9
225.09155	3.2
227.07043	1.0
227.10663	3.8
231.11702	2.4
233.13206	1.6
235.07588	2.2
237.05580	1.6
237.09189	1.6
238.03967	1.0
238.06203	5.8
239.06972	1.9
240.07838	2.8
247.07422	1.0
247.09720	1.5
249.05518	2.7
249.12856	3.6
251.07005	1.1
253.08636	9.9
255.07487	1.4
255.10184	25.6
259.11151	2.4
261.12695	3.0
263.07202	1.9
265.05090	1.2
265.08572	1.6
266.05743	7.8
267.06442	1.1
267.10315	1.8
271.09674	15.3
277.12546	4.8
279.06567	2.1
279.13702	4.5
281.08109	44.4
282.08478	1.1
283.09604	2.0
287.10730	3.0
295.09756	2.2
295.13199	1.1
296.13873	1.0
297.11255	2.1
297.14697	0.9
299.09140	7.6
305.11755	6.9
309.14713	1.7
319.13287	3.6
323.12769	2.5
335.14200	1.0
337.14359	41.0
347.04092	0.9
355.08105	6.6
355.15302	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	355.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.0
55.05512	1.1
66.35514	0.5
67.05514	2.6
70.85186	0.5
71.30854	1.1
73.04790	0.6
82.06584	5.5
85.02901	0.8
91.05487	1.2
98.06075	1.2
98.97580	0.7
102.86652	0.6
103.51820	0.6
108.08107	1.0
110.06050	17.0
115.63631	0.6
122.06033	1.2
126.05527	7.4
128.07079	1.4
128.98473	0.6
136.07584	56.2
138.05522	2.1
140.07014	0.9
145.02725	0.6
152.07091	2.8
155.66135	0.6
162.05473	0.7
164.07079	100.0
165.07401	1.2
166.04951	0.7
182.08139	80.1
183.08498	1.0
193.05016	0.7
198.09218	1.2
202.08427	0.5
216.10132	0.9
230.08080	1.2
242.63124	0.6
251.82158	0.6
256.09775	1.4
259.10770	1.3
276.08627	0.9
301.11972	0.9
302.10040	2.7
319.12827	6.0
320.11334	1.4
337.13901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05515	0.6
67.02763	0.5
67.04221	0.5
67.05514	2.7
69.03433	1.5
71.09645	1.2
71.73228	0.6
73.04751	0.8
81.03391	0.6
82.06586	5.9
85.02895	1.5
91.05444	0.5
97.02878	1.0
98.06048	1.0
98.97576	1.0
107.79984	0.5
108.04525	0.5
108.08108	1.2
110.06050	19.6
110.97559	0.7
112.91391	0.5
122.06075	1.1
126.05544	7.4
128.07112	1.3
136.07585	60.8
137.07895	0.5
138.05515	2.6
140.07098	1.1
145.02850	0.5
152.07045	1.6
156.06534	0.7
164.07077	100.0
165.07469	1.0
172.79398	0.6
177.05464	1.0
182.08138	79.8
182.99577	1.1
183.08490	0.8
193.05023	0.9
194.08392	0.5
201.00587	0.7
209.73447	0.5
219.01759	0.9
230.08078	0.7
237.02803	0.9
256.09775	1.1
259.10840	0.8
302.10196	1.9
309.06067	0.6
319.12894	1.7
320.11331	1.5
337.13834	0.7
355.14569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Scopolin
Peak:m/z	Relative Intensity
52.88969	0.2
67.01859	0.6
67.05501	0.2
68.99787	0.4
69.03439	0.2
69.54034	1.0
69.54446	0.4
70.06580	0.2
73.04755	0.2
79.05482	0.3
81.03405	0.2
81.07046	0.3
85.02895	0.6
91.05506	0.2
91.89242	0.2
93.07034	0.2
105.03384	0.8
105.07039	0.3
107.04922	0.2
117.06995	0.3
119.04979	0.3
121.02850	0.5
122.36251	0.2
125.05988	0.4
127.03883	0.3
137.05983	0.9
145.02809	0.5
147.04398	0.7
150.18558	0.2
151.03925	0.5
153.01822	0.6
163.03857	0.2
164.32817	0.2
169.04913	0.3
175.03940	0.3
175.11172	0.3
177.05489	0.6
191.03300	0.2
193.04974	100.0
194.05362	1.2
201.05490	0.9
219.02896	0.5
280.07401	0.3
281.08157	0.6
284.06448	0.2
294.05356	1.1
297.07574	0.3
308.06689	0.3
309.07605	0.8
337.07089	2.7
355.08160	2.0
355.12665	0.3
355.17722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1176
Annotation	(+)-EI 1507-1
Peak:m/z	Relative Intensity
56.95830	0.7
56.96574	1.6
67.05500	1.6
69.07067	1.3
71.06932	1.7
73.03002	0.8
79.05484	2.0
81.03437	0.9
81.07051	2.8
85.58519	0.8
91.05489	2.6
93.07054	1.0
95.05010	1.3
95.08624	1.9
97.80889	0.9
105.07042	1.3
107.04916	1.1
107.08596	1.0
109.06559	1.0
113.02366	1.2
117.07022	0.9
119.08629	1.8
129.07054	1.1
135.04439	1.4
137.05995	1.2
141.06915	1.6
145.06451	2.7
145.10092	1.7
151.03929	6.3
161.05972	2.5
161.79639	0.9
163.03773	1.0
165.06947	1.1
167.07016	2.1
173.05969	3.0
174.52745	0.8
177.05469	5.2
177.09145	0.9
178.05873	0.8
178.07857	0.8
179.08585	1.9
182.07353	1.2
183.02878	1.4
183.07991	1.2
184.02800	1.4
185.06021	1.4
189.05449	2.2
190.06216	1.1
191.07004	2.2
192.07736	4.0
195.08177	1.1
197.09561	1.6
199.03923	3.4
201.05453	2.7
203.07028	3.5
205.05057	1.0
207.08163	1.2
211.07562	1.1
213.05466	1.2
215.03441	5.9
215.10764	1.5
221.02977	1.8
222.03171	2.1
225.09119	3.4
227.03384	4.0
227.07051	3.0
229.05019	1.5
239.07085	1.8
241.04990	2.7
243.10147	3.7
249.09253	1.9
251.07080	3.2
265.08643	3.7
267.06531	2.0
267.10193	2.2
268.06793	1.5
269.08044	4.6
271.57162	1.0
273.57382	1.1
275.58646	1.2
276.08209	1.2
277.08728	1.8
279.06439	3.7
280.58017	2.0
281.05032	1.3
281.08075	3.7
281.57938	1.1
283.06049	2.5
283.09647	3.4
287.09119	1.0
291.10242	2.0
293.08145	1.4
295.06476	1.6
295.09622	4.6
304.07294	1.0
307.05917	2.9
309.07565	1.5
309.11215	1.7
311.05511	2.8
311.94907	0.9
319.09769	6.3
321.07516	4.3
322.08429	5.3
324.06091	1.8
325.03479	2.3
337.10718	44.3
337.14307	2.8
339.04938	3.8
340.05844	1.8
342.10776	1.1
354.05695	1.4
354.60495	0.9
355.07983	21.1
355.11746	100.0
356.12219	1.4
363.61063	2.1
364.10742	2.8
372.61520	1.4
373.09677	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	355.1025
Annotation	Scopolin
Peak:m/z	Relative Intensity
55.01860	0.2
57.03394	0.2
63.93518	0.2
69.03429	0.5
70.06577	0.5
70.89653	0.5
73.04732	0.2
79.01849	0.3
79.05500	0.2
81.03407	0.3
81.07061	0.2
85.02897	0.9
86.09696	0.3
89.03933	0.4
97.02852	0.3
105.03383	0.6
105.07059	0.2
109.06516	0.4
116.98614	0.2
117.03357	0.7
121.02865	0.3
122.03603	0.3
133.02852	1.0
137.05971	0.5
145.02859	1.0
147.04449	0.3
149.06012	0.3
150.03096	1.7
150.73337	0.2
151.03957	0.4
156.36177	0.2
161.02368	2.9
165.05443	0.4
171.41919	0.2
175.05904	0.5
177.05458	2.1
178.02615	9.8
179.03391	0.4
181.04974	0.3
184.09810	0.2
186.31035	0.2
193.04973	100.0
194.05325	1.2
201.05469	0.4
205.04974	2.6
206.05750	1.3
217.04997	0.6
219.06496	0.7
231.06642	0.4
235.06013	3.5
245.08136	0.7
259.06024	1.0
273.07626	0.3
289.07083	0.9
294.05225	0.4
301.07156	0.3
309.07706	0.5
319.08276	1.3
337.07059	0.9
337.09641	0.3
355.10446	2.6
355.13992	0.3
355.17972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03932	0.8
55.05269	0.6
55.05516	12.4
56.05024	2.1
57.05809	2.5
57.07076	15.2
57.07362	0.8
58.02950	2.3
58.06601	16.6
60.04526	3.8
64.93801	0.6
67.05176	0.7
67.05507	9.0
69.07071	20.7
69.73241	3.5
70.02958	3.5
70.06306	0.6
70.06602	7.0
71.04988	2.2
71.08277	0.8
71.08637	9.1
72.04518	2.9
74.06083	2.8
79.05492	2.2
79.32453	0.5
81.07061	14.5
82.06565	1.9
83.04977	1.0
83.08621	13.7
84.08144	6.7
85.06561	0.8
85.10185	5.0
86.06073	5.0
87.06853	2.0
88.07622	0.8
91.05463	0.8
93.07058	2.9
94.06610	0.8
95.04958	0.6
95.08608	15.4
96.08133	1.3
97.06540	1.3
97.10177	7.7
98.09689	1.5
98.20828	1.1
100.07632	0.6
105.07058	0.7
107.08611	2.3
108.08114	0.9
109.10165	8.6
111.08130	0.7
111.11704	5.5
112.07603	1.1
112.11225	0.8
119.08578	0.7
121.10143	0.9
122.24300	0.6
123.08088	1.2
123.11726	3.8
125.13271	1.6
126.56524	0.6
135.11674	1.2
137.13280	1.7
198.22136	0.6
240.27156	0.5
268.30023	1.1
277.28827	0.8
282.31610	0.6
294.31580	4.1
306.31467	3.4
307.29956	3.1
308.33157	4.1
318.31668	1.6
319.29980	0.7
324.32504	1.2
326.34271	5.7
336.32617	15.3
337.31033	1.9
354.33670	100.0
355.07703	0.9
355.34048	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	354.1185
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03935	0.8
57.03431	0.8
61.02924	0.4
64.51482	0.3
67.05492	0.6
69.03436	2.5
69.07055	0.4
69.92457	1.6
73.02903	0.7
79.99232	0.4
81.03424	0.8
85.02905	4.5
87.04460	0.7
89.09752	0.3
91.03976	0.4
91.05488	3.3
94.06578	4.4
95.04949	0.4
97.02874	1.4
98.97604	0.7
99.04482	0.5
101.71331	0.4
104.04988	0.4
105.03359	0.5
109.02867	0.4
115.07569	1.1
117.05739	1.0
118.06551	6.5
119.04884	0.4
122.06033	5.4
127.03901	0.4
131.04933	0.7
134.06024	1.0
136.07590	0.8
145.02798	0.5
145.04976	0.6
146.06012	19.3
147.06743	0.7
150.05478	1.1
157.08606	0.9
162.05490	1.4
164.05692	0.5
164.07060	9.0
174.05515	100.0
175.05986	1.2
176.07083	0.7
192.06563	55.6
193.04988	5.0
193.06796	0.7
222.92850	0.4
235.06158	0.4
336.10751	1.6
354.11853	43.8
355.12067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82368	1.5
53.03947	2.5
55.05520	9.0
56.96569	9.2
57.03431	6.1
59.04985	2.0
62.06094	100.0
66.22215	1.2
67.05511	16.9
69.03422	3.4
69.07070	8.8
71.04996	6.9
71.17759	3.0
79.05503	15.1
81.03428	3.4
81.07063	17.7
82.06593	2.6
83.04979	4.7
83.08603	2.5
84.08135	2.2
85.06557	1.7
86.38748	1.5
91.05486	41.4
93.07048	20.6
95.04967	4.7
95.08620	14.0
96.08132	1.9
97.06538	3.7
98.06055	5.1
98.97594	7.1
103.05486	2.6
105.03369	3.0
105.07047	15.0
107.04961	3.3
107.08597	14.5
109.06519	2.5
109.10181	6.9
111.08066	7.4
115.05443	2.4
116.98647	3.6
117.07034	5.5
119.08588	9.4
121.06530	2.2
121.10144	9.2
122.54038	1.4
123.08068	1.3
124.11288	1.9
125.09608	2.4
129.06992	3.2
131.04951	2.9
131.08591	9.4
133.10130	4.9
134.99660	1.4
135.08095	3.2
135.11700	2.8
138.12778	6.1
139.11182	1.5
143.08543	3.8
145.10121	6.4
147.08043	3.0
147.11687	3.4
149.05974	1.8
149.09624	2.1
151.03847	1.6
153.07007	1.5
157.10127	2.1
159.04434	2.3
159.11693	4.7
161.05962	2.7
161.13223	2.3
165.05614	2.2
165.07010	3.3
166.07758	2.9
167.08498	1.7
171.11670	2.3
173.13264	3.0
175.11101	1.8
177.05467	4.7
179.08617	2.6
181.10168	3.8
184.13397	2.4
185.13359	2.0
189.05460	7.4
189.12749	1.9
194.07281	3.3
195.07982	2.2
196.13354	1.9
201.00696	3.0
203.07031	3.3
205.15965	1.5
209.09622	3.4
210.14951	12.8
213.09103	5.1
213.16557	1.7
214.14403	2.2
215.18056	1.8
219.01701	1.7
220.12721	1.7
226.18033	2.0
228.15994	14.2
237.09035	5.6
239.10655	3.2
239.17848	1.9
241.08466	1.9
257.18881	1.9
262.21613	2.9
266.05521	1.3
266.21216	4.8
267.10199	36.6
275.19995	8.6
280.22867	1.7
290.58182	1.7
291.07028	1.6
291.13858	1.8
291.85629	1.5
294.24167	2.8
297.11172	2.8
309.14410	1.7
318.24298	11.7
319.13245	6.2
336.25339	81.1
337.14426	6.6
337.23950	1.7
354.10516	1.6
354.17410	2.1
354.26410	21.8
354.33142	1.9
355.08112	6.2
355.15390	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	354.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.5
72.54363	1.1
77.18060	1.0
78.68118	0.9
79.01865	2.0
98.21542	1.9
98.97575	3.1
106.04169	4.6
107.01315	3.0
109.10224	1.2
115.36398	1.0
116.98624	1.0
131.89581	1.0
151.03876	2.3
160.72479	1.1
229.04759	1.3
239.07025	2.6
253.04529	4.6
254.05067	1.5
254.55350	1.2
255.06062	1.6
262.04663	1.4
263.05524	3.5
267.03903	2.1
267.06497	5.4
269.04675	1.8
270.04623	1.4
271.05365	1.2
274.04245	1.1
274.55396	1.8
276.04373	4.2
276.54639	1.8
283.05963	1.7
285.07645	2.0
288.54810	7.5
289.04944	1.5
290.04193	2.4
294.04532	1.4
294.14664	1.5
294.55020	1.8
295.05783	5.8
295.55618	1.6
296.06091	13.1
296.56088	3.8
297.55441	1.4
301.05576	1.6
302.54623	8.2
303.04633	2.6
304.04385	1.5
308.54642	2.5
309.05063	2.3
310.05817	29.2
310.56030	7.7
311.55176	1.3
313.07245	1.9
316.54370	6.5
317.04575	2.1
318.04471	1.5
319.06342	1.9
319.56287	1.3
324.05554	100.0
324.55725	30.0
325.05566	3.3
325.54849	1.8
330.57053	1.4
331.56699	19.0
332.07199	5.4
333.05997	3.8
339.07944	63.6
339.58203	18.5
340.08008	2.4
341.04996	2.2
343.06610	5.7
343.11572	2.4
344.56943	3.7
345.06897	1.2
346.59076	87.7
347.09332	30.8
347.58975	1.8
348.08563	1.7
354.10263	30.4
354.16718	2.2
354.60562	9.0
356.03287	1.5
356.07263	1.9
359.59283	3.2
360.09695	1.4
367.10294	2.7
371.06201	3.1
374.61459	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.85645	1.6
52.87138	1.3
53.03947	3.3
55.01867	1.7
55.05515	12.1
57.03437	5.7
57.07074	5.0
60.64875	1.4
65.03957	2.3
67.05510	88.3
69.07071	17.6
70.82009	3.3
71.05002	2.5
71.08629	2.7
75.50493	1.5
79.05499	35.7
81.07064	100.0
83.08620	6.9
85.06523	1.8
91.05487	22.0
93.07049	50.3
95.04972	2.3
95.08617	72.7
95.09236	3.5
97.06541	3.6
97.10168	3.3
99.08085	1.8
103.05537	1.5
105.07037	23.0
107.08600	36.4
109.02732	1.3
109.10160	35.2
111.08106	2.4
112.84038	1.4
117.07045	8.3
119.08588	17.3
121.10149	29.2
123.08088	2.5
123.11703	21.0
130.07825	2.0
131.08586	17.3
133.02823	2.2
133.10162	10.7
133.74445	1.8
135.11700	24.2
137.09576	1.7
137.13242	7.5
141.07010	1.5
145.10129	13.7
147.11676	11.2
149.05911	2.5
149.13271	20.1
151.11186	1.6
157.10124	2.1
159.11708	13.3
161.13278	8.6
163.14822	9.5
165.12735	1.7
165.75040	1.6
170.08957	1.6
173.13274	13.1
175.14850	3.0
177.05487	7.0
177.16388	3.8
179.14290	1.7
187.14827	8.5
192.40294	1.6
193.04993	9.6
201.09184	4.0
201.16379	3.3
203.54713	1.5
213.09157	1.7
229.08597	3.2
233.22682	2.5
243.21152	19.9
261.22159	69.0
262.22455	2.1
279.23251	5.1
293.11533	1.6
321.11298	2.3
325.13995	3.4
335.12851	2.8
335.25909	6.9
353.13901	23.0
353.17728	3.2
353.26868	19.5
354.99728	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
54.63192	1.5
55.01876	1.7
55.05516	19.7
56.21445	1.6
57.03439	8.4
57.07081	6.6
65.03935	3.5
67.05511	93.6
69.06755	2.0
69.07079	18.1
70.64248	1.4
71.04990	5.8
71.58253	2.8
75.04477	2.2
79.05499	47.4
81.07063	100.0
83.04938	2.5
83.08639	9.0
85.06567	3.8
91.04955	3.0
91.05483	30.6
93.06466	3.7
93.07053	66.7
95.04980	2.5
95.08616	73.0
97.06528	4.5
97.10181	4.0
98.85601	1.5
99.08061	1.9
105.07034	18.5
107.08607	42.4
109.06511	3.0
109.10169	37.5
109.45158	1.5
111.08085	2.2
113.09628	1.6
117.07026	11.7
119.08608	18.9
121.10147	32.2
123.08068	3.0
123.11714	24.4
124.40773	1.8
131.08577	27.0
133.02849	2.5
133.10135	17.0
135.04431	11.9
135.08109	1.7
135.11699	30.5
137.13312	7.8
145.10150	21.5
147.11688	15.7
149.13269	23.9
151.03966	2.4
151.11200	2.8
153.12767	1.7
157.10124	2.6
159.11749	11.2
161.13277	12.3
163.11327	2.3
163.14806	12.9
171.11612	1.8
173.13264	15.8
175.14833	4.9
177.05505	4.5
177.12802	2.6
177.16403	4.6
187.14835	9.6
193.05020	7.0
195.11853	1.9
198.06583	2.0
201.09120	3.4
201.16331	4.4
205.15988	2.7
215.06911	3.0
217.47424	1.7
229.08623	6.3
233.22716	5.2
236.10764	1.8
241.08600	2.4
243.21132	25.2
245.64525	2.0
246.66486	1.7
261.22174	94.2
262.22354	2.2
279.10229	1.8
279.23273	3.9
293.46698	1.5
297.14630	2.4
321.11044	2.3
325.10870	2.1
325.14398	2.9
335.12778	7.8
335.25653	8.1
353.09860	1.6
353.13916	24.6
353.20822	10.7
353.26962	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01865	3.6
55.05516	17.4
56.96568	13.5
57.03424	3.9
57.07074	5.5
59.05005	2.5
60.60219	2.0
65.03925	2.9
67.05508	91.5
69.03429	2.4
69.07072	26.3
69.54355	5.1
69.54768	11.5
71.04988	5.4
71.08617	3.5
79.05058	3.9
79.05495	51.7
81.03432	2.8
81.07063	100.0
83.04996	6.0
83.08614	8.2
87.15013	2.3
91.05486	58.5
92.05811	2.5
93.07052	66.8
95.04956	10.2
95.08609	70.5
97.06539	6.0
97.10171	5.4
98.21446	5.3
98.97591	2.8
99.08107	4.6
105.03336	2.4
105.07035	37.5
106.07457	2.0
107.04958	4.6
107.08597	46.5
108.05735	2.7
109.06514	8.8
109.10159	46.3
111.04416	6.2
113.09641	2.3
115.05441	2.8
116.98605	2.3
117.07018	11.3
119.04932	22.2
119.08581	34.6
121.06513	5.3
121.10145	37.7
123.08102	17.4
123.11696	20.4
127.11166	2.5
129.06985	8.5
131.08589	24.2
133.10132	20.7
135.04440	5.3
135.08080	3.4
135.11700	28.0
137.09628	3.2
137.13235	5.7
142.07800	2.4
143.08572	6.1
145.10124	24.3
146.01913	2.1
147.08003	2.8
147.11703	17.8
149.05965	5.4
149.09613	2.7
149.13266	21.9
151.03909	10.1
151.07544	93.0
153.12682	2.5
155.08557	3.1
157.10132	6.6
159.11697	21.6
161.02348	3.4
161.05960	2.5
161.09569	3.7
161.13298	14.1
163.14786	12.4
167.03429	3.1
171.11714	2.8
173.09634	2.6
173.13272	17.7
175.07532	3.3
175.14883	6.7
177.05440	6.6
183.11670	3.1
185.06017	3.8
185.13300	3.1
187.07672	2.9
187.14876	10.6
193.05011	4.7
199.14853	4.0
201.16354	6.7
203.07027	25.7
205.04930	2.9
211.07616	3.2
213.16432	3.5
217.04884	3.0
223.14812	2.5
233.22591	3.4
241.11206	4.9
243.21033	19.1
251.07098	3.7
253.08504	3.8
261.09351	2.6
261.22171	85.5
263.24026	3.3
265.08606	5.5
267.10147	7.3
267.21045	2.9
277.08459	2.6
279.10196	4.1
279.23312	3.1
293.08249	3.3
293.11703	5.1
294.14536	2.4
295.09491	2.2
297.07538	9.2
307.09576	2.7
312.12286	3.9
315.14243	4.9
321.11154	6.2
325.06949	3.1
325.13907	2.5
335.12555	7.0
335.26566	4.7
353.06482	3.8
353.10117	11.1
353.13806	90.0
353.17014	4.8
353.20795	8.9
353.27969	21.3
354.13968	4.8
362.89795	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.05513	11.4
55.31493	1.0
57.03429	3.6
57.07062	4.9
65.03933	2.2
67.05510	93.3
69.06774	1.2
69.07072	13.8
69.32470	8.1
69.32886	2.8
71.04996	3.0
71.05373	1.0
71.08607	2.5
72.22539	1.4
75.04481	1.9
77.03914	1.8
79.05499	49.5
81.07063	91.6
83.08619	6.5
85.06535	2.5
87.43118	1.2
91.05484	25.6
93.07049	63.0
95.04991	2.7
95.08614	70.4
97.06532	3.8
97.10162	3.2
98.20764	2.4
99.08125	1.3
105.04486	1.6
105.06402	1.3
105.07041	19.1
107.08602	40.8
109.06518	2.2
109.10163	37.5
111.08099	1.1
117.07017	11.6
119.08598	17.4
121.09318	2.5
121.10154	36.0
123.08051	1.7
123.11710	19.4
125.09595	1.4
131.08575	25.5
133.10155	13.3
135.11707	28.9
137.13257	8.7
145.10135	17.1
147.11694	11.8
149.13277	20.5
151.14766	1.4
153.12672	1.5
159.11699	16.7
161.13286	11.3
163.11099	1.4
163.14819	14.7
165.12714	1.4
173.13284	14.6
175.14821	3.3
177.16423	4.2
187.14844	10.5
188.23834	1.4
191.14224	1.7
201.07491	1.1
201.16428	2.8
205.15868	2.0
233.22655	4.8
243.21118	21.0
261.22162	100.0
262.22473	2.5
279.23114	3.8
335.25812	6.7
336.19843	1.2
343.79089	1.1
353.26889	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.92503	1.3
53.03930	4.1
55.05515	13.5
57.03436	8.1
57.07065	4.6
65.03948	4.3
67.05506	87.5
69.07067	12.7
69.58988	12.2
71.04974	2.1
71.08640	2.1
72.74979	1.4
73.18086	1.8
75.04452	1.5
79.05058	2.6
79.05497	41.8
79.98120	1.6
81.07059	100.0
83.08636	8.1
85.06556	3.1
89.49841	1.6
91.05480	17.1
93.07051	50.7
95.08611	72.7
96.41563	1.5
97.06515	2.3
97.10184	2.8
105.07044	13.1
105.82572	1.6
107.08596	30.7
109.06541	1.7
109.10155	36.1
117.07004	7.4
119.07809	1.5
119.08578	11.4
120.08964	1.5
121.10138	26.9
123.11701	18.5
125.09679	2.2
131.08572	17.8
133.10146	13.4
135.11699	25.0
137.13274	9.8
145.10144	14.3
147.11708	9.3
149.13271	18.2
151.11134	1.9
159.11702	10.5
161.13287	8.1
163.14830	13.3
173.13274	15.7
175.14851	2.7
177.16351	4.5
187.14848	9.2
191.14352	2.0
201.16374	3.1
233.22658	4.2
243.21077	19.8
254.57396	1.9
261.22147	88.3
279.23221	5.6
335.25943	9.2
353.26877	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.46561	0.8
53.03944	3.3
55.05514	14.7
55.94513	0.8
57.03443	5.5
57.07080	5.7
65.03937	2.7
67.05509	95.6
69.07071	13.7
71.04983	2.6
71.08620	1.1
74.08633	0.9
75.04510	2.0
76.33450	0.8
77.03910	1.3
79.05499	41.6
81.07062	100.0
81.10836	0.9
83.04959	1.1
83.08631	6.3
85.06559	2.3
91.05483	20.7
93.07050	56.3
93.55425	0.9
95.04963	2.1
95.08613	66.9
97.06543	3.8
97.10181	4.1
98.43253	0.9
99.08103	2.1
105.07035	17.7
107.08599	34.1
109.06519	1.2
109.10165	38.2
109.58017	0.8
111.08096	0.9
111.11739	1.8
113.09664	1.5
117.07029	9.4
119.06068	1.1
119.08588	12.3
119.13168	0.8
121.10149	29.8
123.08118	2.3
123.11720	18.8
125.09641	1.2
131.08577	15.5
133.10144	12.8
135.11694	22.6
135.12694	1.4
137.09642	1.2
137.13235	6.4
139.00584	0.9
145.10132	11.7
147.11710	8.6
149.09676	1.4
149.13260	16.1
151.11150	1.9
151.14822	2.8
153.12755	1.3
158.24323	0.8
159.11711	11.6
161.13289	7.9
163.11232	0.9
163.14839	10.3
165.12790	1.1
173.13289	13.4
175.14845	2.6
177.16414	3.6
179.14320	2.3
187.14848	7.4
191.14334	1.1
201.16394	2.2
205.15854	2.0
215.17920	1.1
216.74556	1.2
217.19440	1.2
233.19106	1.0
233.22589	3.0
233.41223	0.8
243.21109	18.4
243.23369	0.8
255.25522	0.9
261.22165	77.1
262.22491	2.0
279.23221	6.1
291.34775	0.8
335.25769	9.3
353.13733	1.2
353.26889	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.05510	12.6
57.03428	4.4
57.07079	2.8
65.03941	2.4
67.05511	87.7
69.07079	13.2
70.79834	3.3
71.04983	3.2
71.08630	1.7
79.05500	48.5
81.07063	93.2
83.04942	1.6
83.08643	6.3
85.06557	2.4
91.05486	23.6
93.07053	67.9
95.04958	2.8
95.08615	67.3
97.06524	2.7
97.10190	2.8
99.08119	3.2
99.94051	1.1
105.07035	18.8
107.08602	41.5
109.09454	2.3
109.10168	37.7
113.09663	1.4
117.07043	10.2
119.08590	15.4
121.09308	2.5
121.10154	36.5
123.11723	21.4
131.08575	22.8
133.10138	14.1
135.11707	31.1
137.09647	2.1
137.13239	9.4
145.10139	18.0
147.11693	11.1
149.09547	1.1
149.13268	21.7
151.11104	1.3
151.14859	2.9
153.12776	2.2
159.11713	17.6
161.13281	10.9
163.14836	15.1
173.13301	16.8
175.14784	3.5
177.12744	1.4
177.16380	5.1
187.14851	10.3
201.16315	2.6
205.15852	3.2
215.17798	1.9
219.17744	1.3
233.22661	4.6
243.18791	2.0
243.21129	22.8
261.22171	100.0
262.22418	3.2
263.23697	1.4
279.23154	4.5
335.25809	6.1
337.82309	1.2
353.26904	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.05502	1.9
56.96554	1.6
57.03425	0.7
67.05505	2.9
69.03430	0.8
69.07056	2.6
70.07458	0.5
71.04988	1.1
71.58264	0.7
79.05489	2.9
80.05822	0.6
81.07064	4.2
83.04984	1.0
83.08614	1.2
84.96068	0.6
91.05489	4.3
92.89796	0.6
93.07047	3.1
93.61794	0.6
95.04961	1.4
95.08620	4.0
97.02888	0.8
97.10150	1.9
98.97589	3.1
104.04612	0.6
105.03411	1.5
105.07043	4.2
107.04929	0.8
107.08599	4.0
109.02937	0.7
109.06466	1.1
109.10159	2.9
111.08060	0.7
111.40292	0.6
116.98625	1.4
117.07050	0.9
119.08619	3.3
121.06474	1.1
121.10162	2.1
123.11679	1.3
128.06233	0.7
131.08548	1.8
133.10118	1.3
135.04414	0.9
135.08069	0.9
135.11662	1.3
137.05960	0.8
140.02748	0.6
143.08551	0.7
145.10092	1.8
147.11697	1.7
149.09625	0.9
151.03963	0.6
159.11673	1.5
161.13272	0.9
161.78267	0.6
171.11760	0.8
175.11188	0.6
175.14825	0.8
177.05447	1.9
179.08649	0.7
191.10721	0.9
199.14783	0.7
211.15057	0.6
215.11313	0.8
225.16661	0.7
243.14421	1.0
251.07089	0.9
253.08560	1.4
253.12959	1.6
271.14032	1.2
283.09464	0.6
293.14343	0.7
293.23282	0.8
297.07666	1.8
317.19595	0.8
321.11240	0.7
325.07089	0.9
325.10678	0.7
335.12717	1.8
335.20871	2.3
353.06393	1.4
353.09955	2.8
353.13855	4.8
353.22971	100.0
354.23282	2.3
371.22873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.1
56.58516	3.2
58.54575	3.5
67.05515	24.0
69.03424	10.0
69.07069	13.2
70.06593	5.5
71.04993	34.8
71.08630	3.7
71.29049	7.6
72.08154	7.8
79.05512	7.9
81.07069	67.2
83.04982	30.3
84.08154	5.1
85.02907	12.0
85.06556	35.2
85.08919	11.6
91.05485	9.4
93.03414	6.8
93.07040	4.0
94.06586	3.9
95.04994	4.7
95.08607	67.1
97.02940	4.8
97.06531	12.1
98.09685	7.5
99.08106	5.4
100.07605	4.5
102.09198	20.3
103.05464	4.3
105.07044	6.2
109.10154	9.9
109.51382	3.8
110.06081	9.2
111.06382	5.5
115.07636	4.8
116.28033	3.3
116.30547	3.1
119.08624	4.4
120.07243	4.1
120.08116	82.4
121.10158	4.5
125.02213	3.3
125.06017	17.6
127.03922	5.7
128.10719	19.9
131.04967	6.1
133.10098	4.3
135.08080	4.2
136.06194	4.7
136.07585	6.6
137.13310	11.1
139.40297	3.2
146.06017	9.6
149.09749	3.7
152.07007	6.2
155.14313	100.0
158.09628	3.7
160.13304	5.3
164.07056	7.0
166.08649	8.1
167.07100	7.0
167.08673	4.9
172.07637	5.4
173.15416	25.7
174.11269	10.2
177.05495	5.4
184.11278	7.4
188.12874	7.2
191.14349	12.2
191.16435	18.6
202.12300	16.4
203.30522	3.3
206.13927	13.9
212.10684	6.7
220.11856	4.4
230.11781	13.4
248.12793	4.8
258.11301	5.5
276.12265	8.1
279.53574	3.6
308.14993	7.9
321.18210	22.3
325.07010	4.4
335.12445	6.2
353.06491	13.0
353.13577	6.7
353.20749	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.1
56.55691	3.9
56.96563	7.0
57.03432	6.3
57.07070	4.5
61.51390	4.0
66.25946	4.0
67.05511	39.8
69.03435	25.2
69.07092	20.5
70.06577	11.2
71.04997	41.0
71.57123	3.9
71.57597	6.5
72.08140	13.1
73.02894	6.4
79.05499	10.6
81.03410	9.8
81.07064	100.0
83.04959	5.0
83.08606	7.2
84.04443	5.1
84.08143	9.8
85.02901	29.6
85.06548	54.2
86.09727	7.9
88.06205	4.3
89.03948	6.0
91.05483	24.1
93.07023	15.1
95.04964	6.7
95.08611	82.6
97.02873	8.3
98.97583	14.0
99.08070	14.0
104.98890	3.8
105.07026	10.3
107.04973	8.6
107.08577	7.5
109.02892	7.7
109.10176	24.2
113.34577	4.2
115.05462	6.3
117.03380	12.9
119.08568	8.0
120.08142	7.0
121.06531	6.0
121.10157	5.2
123.08034	5.0
127.03898	6.8
135.08070	9.0
135.11693	4.5
136.07541	7.7
137.05959	9.4
137.13242	15.5
139.03854	4.2
143.01968	6.3
145.02835	39.3
147.04367	6.0
147.09167	9.7
149.06018	7.3
149.09592	4.6
155.14304	95.6
159.09241	4.2
160.05069	9.5
161.02962	5.6
161.10693	5.3
164.06989	5.3
167.07062	23.6
173.13174	8.6
173.15401	44.0
175.08670	16.8
177.04045	5.5
177.05484	72.0
191.14314	28.8
191.16428	13.9
192.07751	8.4
192.10188	3.9
201.10268	4.5
233.09337	6.7
237.02870	5.8
289.11902	6.3
293.08408	5.4
297.07605	5.0
309.14368	7.2
325.07083	11.0
335.12347	16.7
338.08105	4.9
353.06546	19.0
353.13086	23.7
353.20181	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	353.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05518	1.6
57.03433	0.5
57.07083	0.4
65.03942	1.1
67.05508	2.6
69.03424	0.3
69.07072	3.9
69.67082	0.8
71.08632	0.4
73.88380	0.2
79.05505	1.8
81.06636	0.3
81.07066	3.8
82.03989	0.2
82.07393	0.2
83.04974	0.4
83.08630	0.7
91.05487	100.0
92.05848	0.9
93.07044	1.7
95.04966	0.3
95.08614	2.5
97.06551	0.5
97.10175	0.7
98.39557	0.2
99.08096	0.3
99.55418	0.2
105.07039	2.8
107.08617	1.4
109.06534	0.2
109.10162	1.4
111.08058	0.2
112.53326	0.2
117.07052	0.3
119.08584	0.7
121.10122	0.9
123.08128	0.3
123.11806	0.2
125.09706	0.3
128.57684	0.2
129.07039	0.3
129.48613	0.2
131.08554	0.6
133.06523	0.7
133.10120	0.3
135.11705	0.8
137.13234	0.5
145.10138	0.7
147.11703	0.4
149.02344	0.3
149.06039	0.2
149.13248	0.5
151.03915	0.2
151.14891	0.2
153.12785	0.4
155.08539	0.9
157.10063	0.2
159.11670	0.2
161.13287	0.3
167.08595	0.6
170.07292	0.2
175.07574	1.3
177.05482	0.4
183.08122	0.9
185.09546	0.3
193.04965	0.7
193.06555	0.2
195.90703	0.2
211.07460	0.2
213.09068	0.2
217.08607	2.5
229.08612	42.0
230.08990	0.8
233.22667	0.2
243.10222	2.6
243.21127	0.5
253.08572	0.2
257.11737	0.2
261.22134	1.3
271.13626	0.3
279.23233	0.9
285.15063	1.3
295.09549	0.2
297.14798	1.5
321.10663	0.3
335.12784	0.6
348.12363	0.2
353.14182	1.5
353.21118	7.5
353.26730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76038	0.5
53.03959	0.9
55.05508	4.8
56.96559	0.9
57.07081	1.8
65.03945	1.4
65.62063	0.4
67.05513	4.7
69.03435	4.1
69.07074	8.9
71.05544	0.4
71.57745	0.7
79.05499	3.2
81.03410	1.1
81.07063	9.0
83.04989	2.7
83.08619	2.2
87.22495	0.4
91.05488	100.0
91.49779	0.5
92.05826	1.4
93.07056	5.1
95.04981	2.0
95.08611	10.8
97.02885	0.7
97.06544	2.0
97.10174	0.9
98.97607	1.5
99.08082	0.5
103.05428	0.6
103.37474	0.4
105.03369	0.7
105.07040	28.9
107.04964	0.9
107.08592	3.2
109.02873	0.5
109.06531	5.0
109.10175	6.1
111.04370	0.7
111.08107	1.9
115.05453	0.6
116.98650	0.6
117.07050	2.3
119.08586	4.9
121.06533	1.3
121.10168	2.5
123.08085	2.2
123.11726	1.3
125.09621	1.2
128.06247	1.0
129.07042	2.2
131.08582	2.7
133.02859	1.0
133.06519	4.1
133.10153	2.8
135.04456	0.7
135.08057	0.7
135.11723	2.2
137.05962	0.6
137.09677	1.2
137.13261	4.1
141.07007	0.8
142.07834	0.7
143.08572	2.1
145.06566	0.7
145.10156	3.8
147.08066	1.5
147.11740	3.0
149.02347	1.0
149.05983	1.5
149.13284	1.2
151.03906	1.2
151.07555	0.8
153.05562	0.6
155.08575	1.5
157.10144	2.0
159.08098	0.6
159.11760	2.4
161.06047	0.7
161.09676	0.6
161.13246	1.1
163.03954	0.6
163.11301	0.6
167.08569	0.6
169.10127	1.1
171.04440	0.8
171.11678	1.6
173.13348	1.5
175.04143	0.5
175.07559	10.0
177.05550	4.0
177.12697	0.5
178.06323	1.3
179.14406	0.7
183.08070	0.5
183.11700	1.0
185.09685	0.8
185.13330	1.7
187.07553	0.5
187.14854	1.0
189.16461	0.8
192.07701	0.5
193.04987	5.3
195.02895	0.9
197.13289	0.7
199.07657	0.8
199.14850	1.4
201.09171	1.5
201.16376	1.4
203.07059	1.3
203.14355	0.6
209.13248	0.7
211.07626	0.8
211.14789	1.0
213.09210	0.9
213.16449	1.0
215.10747	0.5
215.14336	0.7
217.08629	9.5
221.15453	0.9
227.18001	0.7
229.08617	12.9
239.17918	0.6
241.12352	1.1
243.10191	27.6
243.17197	0.6
243.21135	0.6
244.10519	0.6
253.08713	1.0
255.10164	1.6
255.13908	1.0
255.21092	0.7
257.11752	5.1
267.21194	0.6
269.11780	6.3
269.15396	1.6
271.13290	6.1
279.21106	0.6
283.10486	0.5
283.13229	2.9
285.14917	6.3
297.14880	8.2
297.22104	0.9
311.16422	2.7
321.07681	0.7
321.11243	0.9
323.09180	0.6
325.07120	0.9
325.14532	1.2
325.28989	0.6
330.19727	0.6
335.12827	2.1
335.27258	2.5
353.06775	1.1
353.10507	0.6
353.14120	12.2
353.21121	32.9
353.28189	12.0
354.21677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.01846	0.6
55.05514	1.8
56.04994	0.3
58.06571	0.3
65.03912	0.7
66.56447	0.2
67.05515	1.8
68.99799	1.8
69.03401	0.4
69.07043	0.5
69.36887	1.4
70.06590	0.9
72.08146	0.5
75.91885	0.2
79.05486	1.9
79.82932	0.2
81.03403	0.7
81.07032	0.3
82.06544	0.4
83.04982	5.8
84.08150	1.1
85.02891	0.7
85.06538	0.5
85.08447	0.2
85.08928	4.0
85.97079	0.2
86.42927	0.2
87.08074	0.6
89.03907	0.8
91.05484	1.7
93.03401	1.0
93.07038	0.4
95.04967	3.7
97.02875	0.3
97.06544	1.1
98.09678	0.8
100.07613	1.7
100.11254	0.4
101.05999	0.5
102.05536	0.2
102.09180	2.4
103.05448	0.8
105.03369	0.3
105.07006	0.3
107.04287	0.3
107.04958	3.8
108.12830	0.2
109.02840	0.2
111.04396	0.6
112.11252	0.2
115.07594	1.0
117.03380	0.9
119.04937	0.6
119.92725	0.2
120.08110	12.0
121.02872	1.8
121.10101	0.3
123.04435	0.3
125.05989	2.4
127.03909	0.4
128.10719	6.8
131.04898	0.3
133.10141	0.3
134.03644	0.2
135.04424	8.0
137.02350	4.7
137.03387	0.3
143.08525	0.2
145.02844	1.4
146.06049	1.4
147.04367	0.5
148.04741	0.3
149.02350	1.0
149.05936	0.2
156.10239	1.4
158.09621	0.5
160.07579	0.6
160.13373	0.9
161.01102	0.4
161.02342	4.8
161.05981	0.3
162.02843	0.2
163.03911	19.9
164.04250	0.3
165.05536	0.3
165.06956	0.2
166.08632	0.9
167.07195	0.3
167.08546	1.2
172.07533	0.4
173.02356	0.7
174.11261	4.4
176.01129	0.5
177.01837	0.3
179.03410	0.4
181.04967	5.5
181.06419	0.2
184.11266	1.1
185.09653	0.4
188.12822	0.8
190.02579	0.4
191.03391	9.4
192.03709	0.2
195.08109	0.4
202.12267	2.4
205.06522	0.4
206.13872	1.7
209.04347	1.2
211.07550	0.3
212.10663	0.9
213.05482	0.2
217.67137	0.2
223.07524	0.6
226.06119	0.3
227.07002	0.5
230.11777	1.4
245.04501	0.5
248.12906	0.7
251.07011	0.7
254.05815	0.4
255.06566	1.2
258.11334	0.4
258.25238	0.2
269.08124	1.3
275.17462	0.2
276.12360	1.2
279.06436	1.3
282.05240	0.6
283.06076	1.5
295.05997	3.7
296.06726	0.6
297.07584	33.5
298.08090	1.2
299.80981	0.2
300.54236	0.2
303.16986	0.3
307.06046	1.4
308.14993	0.9
310.04755	2.1
311.05502	0.9
321.18088	6.0
323.05490	0.7
324.06201	1.9
325.07062	84.6
326.07446	3.5
335.12708	0.2
344.02155	0.3
345.99091	0.2
353.06567	100.0
353.20673	15.4
354.06863	3.8
354.20786	0.4
365.48193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
55.05515	4.5
56.58510	0.5
57.03434	2.0
57.07082	3.4
59.05003	0.6
65.03919	0.7
67.05508	5.2
68.99798	0.5
69.03435	11.1
69.06773	0.5
69.07075	5.3
71.01350	1.0
71.04988	2.6
71.08602	0.5
71.20040	0.6
71.53363	1.0
72.08157	0.6
73.02925	1.0
78.04703	0.5
79.05493	4.5
81.03419	2.4
81.07059	12.1
83.04978	2.2
83.08633	4.2
83.40143	0.6
85.02917	5.6
85.06551	1.3
86.09707	0.5
89.03919	6.5
91.05495	4.6
93.07059	7.3
95.01326	1.2
95.04967	2.3
95.08614	11.8
97.02896	3.7
97.06522	2.0
99.04452	1.5
103.03941	0.6
103.05499	0.7
105.07039	4.9
107.04941	1.8
107.08602	10.7
109.02875	1.0
109.06519	4.9
109.10170	5.2
111.04440	1.7
111.08076	4.2
113.05981	0.5
113.09662	1.4
115.03952	1.3
117.03393	19.8
117.07041	0.7
119.04892	2.6
119.08579	5.0
121.06501	2.4
121.10161	10.3
122.48582	0.5
123.08073	4.2
123.11716	10.9
125.05955	1.0
125.09644	1.2
127.03915	2.4
127.07556	0.9
128.10710	0.5
129.07034	0.8
129.11034	0.6
131.08574	2.4
133.10130	2.7
134.03651	2.1
135.04411	1.2
135.08049	3.6
135.11713	6.4
137.05972	1.6
137.09602	2.3
137.13264	1.8
139.07565	0.6
141.01814	1.6
145.02858	52.8
145.10124	1.6
146.03209	0.8
147.04440	4.1
147.08043	1.0
147.11681	2.1
148.04771	3.4
149.05997	7.4
149.09653	1.0
149.13300	8.9
151.03969	0.6
151.07584	0.9
151.11172	0.9
153.09091	1.8
155.10657	0.6
155.14360	0.7
158.10912	0.6
161.09605	0.9
161.13287	1.9
163.07556	1.2
163.11180	1.1
163.14848	5.6
165.09175	0.8
167.07027	2.1
167.10719	0.5
167.14334	2.3
173.09633	0.9
173.11864	0.8
173.13316	2.0
175.11435	1.3
175.14749	1.2
177.05482	100.0
178.05785	1.8
179.14330	1.5
185.13242	0.8
186.05481	0.6
189.12848	0.6
191.06906	0.7
191.10635	1.3
191.14366	6.1
203.14267	0.7
206.13895	2.0
207.14116	2.7
209.15428	3.8
219.13780	0.7
221.15395	0.7
258.91818	0.5
260.06833	2.1
288.46082	0.6
293.17569	0.9
297.07376	0.7
325.07205	1.8
335.18735	1.1
353.09268	5.1
353.19653	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29576	0.6
53.87006	0.6
55.01858	1.8
55.05510	5.0
57.03426	2.6
57.07075	3.5
59.05002	0.7
60.86514	0.6
63.02343	0.6
65.03944	0.7
67.05508	6.6
68.99781	0.7
69.03080	0.8
69.03429	13.7
69.07067	6.9
70.06583	1.0
71.01344	1.8
71.04982	2.8
71.57609	0.9
73.02927	0.8
79.05489	5.9
81.03415	2.9
81.07057	15.0
82.07358	0.6
82.76546	0.5
83.04979	4.4
83.08624	4.7
84.08091	0.8
85.02914	5.4
85.06556	2.8
87.04468	0.7
89.03920	6.9
91.05473	6.4
93.07063	8.5
95.01350	1.0
95.04965	3.6
95.08608	13.7
97.02888	4.4
97.06520	2.0
99.04441	2.1
100.07601	0.6
103.05508	0.9
105.07033	5.9
107.04953	2.0
107.08600	14.2
109.02883	1.6
109.06520	5.7
109.10148	6.7
109.92693	0.6
111.04434	1.7
111.08071	4.0
113.09628	1.0
115.03922	2.4
117.03380	22.2
117.07011	1.8
119.04940	2.5
119.08589	6.5
120.05278	1.3
120.08106	0.9
121.06494	2.2
121.10149	13.9
123.04378	0.9
123.08070	5.0
123.11713	12.7
125.05985	1.3
125.09632	1.7
127.03906	2.6
127.07544	0.6
131.08589	2.7
133.06546	0.8
133.10123	4.7
134.03578	1.1
135.04443	1.7
135.08051	4.5
135.11691	7.2
137.06003	2.8
137.09619	2.4
137.13255	1.6
139.07549	1.4
141.01823	1.9
145.02846	59.9
145.10123	2.3
146.03165	0.8
147.04407	3.4
147.08014	0.7
147.11676	2.3
148.04778	3.9
149.05977	9.0
149.09628	2.0
149.13261	11.3
151.07538	0.7
151.11186	0.9
153.09154	1.7
155.06943	0.7
155.14241	0.7
159.11578	1.7
161.09593	0.6
161.13264	2.2
163.03917	1.0
163.07483	1.0
163.11172	2.3
163.14841	5.1
165.09113	1.1
165.12712	1.1
167.07129	2.8
167.08337	0.6
167.14285	3.4
171.10191	0.8
173.09804	0.7
173.11856	0.7
173.13251	2.4
175.11496	0.8
175.14778	1.3
177.05470	100.0
178.05945	1.4
179.14317	1.9
181.08614	0.8
186.05415	0.7
189.12726	0.7
191.07034	0.6
191.10680	1.6
191.14308	7.9
203.14201	1.5
206.13866	3.4
207.14149	3.4
209.15378	4.6
221.15327	0.9
260.06808	2.2
297.07635	1.4
299.16537	0.6
317.17599	0.8
321.98538	0.7
325.07123	3.1
335.18439	1.8
353.06067	0.9
353.09567	3.4
353.19608	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	353.1385
Annotation	Pongachalcone II
Peak:m/z	Relative Intensity
53.03929	0.4
53.05522	0.3
55.01867	0.6
55.05516	0.7
65.03943	0.5
67.05497	1.6
68.99793	1.6
69.03423	0.4
69.07059	0.6
71.00209	0.7
79.05497	2.4
79.98775	0.3
81.07060	4.6
81.47622	0.3
85.02881	0.3
89.03918	0.7
91.05480	3.3
93.03400	1.0
93.07033	1.3
95.04965	0.8
95.08608	1.8
95.55408	0.3
97.06555	0.4
103.05489	0.8
105.03384	1.0
105.07028	1.7
107.04964	1.6
107.08601	0.9
108.13249	0.3
109.06530	3.0
109.10168	0.7
115.05430	0.8
115.57352	0.3
117.03391	0.7
117.07037	0.8
119.04913	2.0
119.08569	0.8
121.02917	0.6
121.06490	2.3
121.10167	0.4
122.03674	0.9
123.11724	0.5
125.06017	0.8
128.06224	1.3
129.06998	1.4
131.04930	3.9
131.08569	1.1
133.02861	9.7
133.06477	0.4
133.10159	0.6
134.03659	0.7
135.04422	2.0
137.05997	4.5
138.03105	0.4
141.06975	1.4
142.07796	0.8
143.04955	0.5
143.08556	1.5
145.06480	1.1
145.10146	0.8
147.04413	4.2
147.08064	2.0
149.02396	0.4
149.05983	8.3
149.13237	0.4
150.03137	1.7
151.03891	1.0
153.05469	5.0
153.06921	1.0
155.08556	2.5
156.09293	0.3
157.06505	1.2
157.10144	1.0
158.07268	1.1
159.04424	1.8
159.08037	1.5
160.05197	0.8
161.06003	1.6
161.09579	1.1
162.03119	2.4
162.47365	0.4
163.03914	3.3
165.05519	6.7
165.06982	0.9
167.04866	0.4
167.07188	0.4
167.08574	1.5
168.05696	0.4
169.06453	0.7
171.04425	1.2
171.08031	1.8
173.06020	0.8
173.09639	1.2
173.13210	0.3
174.06766	0.6
175.03912	1.2
175.07538	1.2
177.05476	30.6
178.02615	4.8
178.06255	7.0
179.08446	0.4
181.06410	0.7
183.08012	2.0
185.05995	1.9
185.09665	2.0
186.06744	1.3
187.03929	1.3
187.07619	1.8
189.09134	4.0
193.04971	36.4
195.08051	2.6
197.05968	0.9
198.05145	0.3
198.06720	2.2
199.07498	2.8
201.05508	0.5
201.09119	14.2
201.10956	0.7
203.07056	1.4
203.08760	0.4
204.07611	0.4
204.09476	0.4
205.06445	0.6
211.07562	6.5
213.05550	0.6
213.09123	5.8
214.06276	1.2
214.09521	0.6
215.07013	0.7
217.08627	0.8
221.09666	0.4
223.07547	1.4
223.11333	0.4
225.05420	0.6
227.07054	1.7
229.08598	19.8
230.08890	0.5
232.08945	0.6
233.09532	0.4
235.07549	0.6
237.09010	0.8
238.06259	0.4
239.07083	0.8
245.07994	0.7
247.11241	0.6
249.05617	0.4
249.09245	1.0
250.09961	0.7
251.07011	1.5
251.10768	0.4
253.08621	0.7
255.06940	0.4
261.09000	1.1
263.07040	0.6
264.07758	0.4
265.04822	0.4
265.12231	0.8
267.06586	1.2
267.10123	0.9
275.10696	1.0
277.08694	1.5
278.09323	1.1
279.06561	1.2
279.10217	1.0
280.07462	0.3
281.08154	0.9
282.12479	0.6
283.09641	0.9
288.07928	0.4
291.06610	0.7
291.09875	0.4
293.08087	0.6
293.11688	2.1
295.06058	1.2
295.09662	1.6
297.14819	0.4
303.10159	0.6
305.08032	1.2
306.08823	3.6
307.09586	1.4
307.12891	0.6
308.06738	1.1
309.11206	0.5
310.08398	1.5
310.11716	0.6
320.10461	0.7
321.11206	9.8
321.14920	2.5
323.09140	6.2
324.09744	0.4
325.11017	0.5
325.14322	13.3
335.12692	2.0
338.11392	2.2
353.13843	100.0
353.28632	1.1
353.35257	0.9
353.79553	0.5
354.14233	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	353.1384
Annotation	Pongachalcone II
Peak:m/z	Relative Intensity
51.02386	0.3
53.03940	0.3
55.01866	0.5
61.38644	0.3
65.03930	0.5
67.05499	0.5
68.99785	1.1
69.03404	0.4
69.23224	1.3
69.23643	1.7
70.77781	0.3
75.28385	0.3
77.03925	0.4
79.05484	1.3
81.07057	3.6
89.03908	0.5
91.05479	2.2
93.03401	0.9
93.07021	0.6
94.04181	0.3
95.04955	0.5
95.08588	0.5
97.24557	0.3
103.05473	0.8
103.83274	0.3
105.03378	0.7
105.07027	0.7
107.04945	1.1
107.08553	0.3
107.43562	0.3
109.06505	2.9
111.04440	0.5
115.05463	0.7
117.03339	0.6
117.07002	0.6
119.04970	2.2
119.08581	0.5
121.06506	1.8
122.03654	0.7
125.05977	0.8
128.06215	1.3
129.06984	1.2
131.04961	3.0
133.02859	8.7
134.03613	0.6
135.04422	1.7
137.05972	3.7
138.03120	0.6
139.03880	0.6
141.06978	1.8
142.07787	1.0
143.04883	0.4
143.08533	0.9
144.05687	0.4
145.06476	1.5
145.10074	0.8
147.04428	4.1
147.08037	2.3
149.05989	7.4
150.03113	0.9
152.06244	0.5
153.05479	4.2
153.06833	0.5
155.08589	2.8
157.06493	1.0
157.10130	0.5
158.07246	1.0
159.04422	1.7
159.08058	1.6
160.05208	0.9
161.05986	1.6
161.09595	0.9
162.03128	2.4
163.03911	3.4
164.04677	0.4
165.05508	6.2
165.06888	0.6
167.03468	0.4
167.07193	0.4
167.08548	1.7
171.04437	1.1
171.08037	1.8
173.05957	1.3
173.09596	1.2
174.06750	0.9
175.03922	1.1
175.07516	1.1
176.04677	0.4
177.05473	30.4
178.02644	4.6
178.06236	7.3
181.06476	0.8
183.08109	2.6
185.06010	2.3
185.09602	2.4
186.06749	0.7
187.03926	1.0
187.07573	2.3
189.09111	4.8
193.04967	35.4
195.08051	2.4
197.05946	0.6
198.06760	2.2
199.07510	2.6
201.05501	0.5
201.09106	13.2
203.07095	0.6
204.09290	0.4
207.08176	0.4
210.06731	0.4
211.07555	6.9
213.05580	0.7
213.09117	6.3
214.06267	1.2
214.09836	0.4
217.08603	0.9
219.11714	0.4
221.06076	0.3
223.07524	1.5
225.05391	0.6
227.07028	1.7
229.08591	19.9
230.08995	0.3
232.08896	0.7
233.09583	0.5
235.07582	0.7
237.09134	0.4
239.07091	1.0
245.08072	0.6
247.11169	1.0
249.09071	0.6
250.06326	0.4
251.07103	1.3
251.10689	0.6
252.07828	0.4
253.05124	0.4
253.08469	0.4
261.09149	0.3
263.07114	0.7
265.08563	0.5
265.12228	0.5
267.06549	1.0
267.10214	0.6
269.08215	0.4
270.08878	0.6
275.10580	1.4
277.08633	0.9
278.09366	0.9
279.06619	1.6
279.10214	0.8
281.08157	0.8
283.09665	1.1
292.10941	0.4
293.08057	0.9
293.11719	2.5
295.06049	1.4
295.09738	1.6
296.06732	0.4
297.14746	0.4
303.10056	1.5
305.08035	1.1
306.08832	3.8
307.09653	1.4
307.13425	0.8
308.06781	1.1
309.07385	0.4
309.11011	0.4
310.08408	1.7
310.11508	0.3
311.09149	0.6
311.12747	0.3
320.10394	0.8
321.11221	9.9
322.11734	0.4
323.09100	6.1
325.14346	13.1
326.14734	0.4
335.12823	1.1
338.11426	1.9
353.13837	100.0
354.14279	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	353.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78324	0.8
50.79781	0.7
53.65431	0.7
55.01863	1.3
55.05493	0.9
56.20638	0.6
56.96564	2.0
57.03413	1.3
61.02896	0.7
67.05513	1.8
69.03419	3.0
69.07053	2.2
70.06590	1.1
71.04984	1.2
71.57877	1.3
71.58284	1.5
72.08138	2.4
73.02909	1.2
79.05482	1.7
81.03424	2.0
81.07052	2.5
83.04980	1.5
84.08121	2.1
85.02914	5.3
85.06572	0.9
86.09705	1.0
87.08096	1.7
91.05473	2.7
95.04961	1.4
95.08605	1.7
96.50470	0.9
97.02894	2.7
98.97593	3.1
99.04427	0.9
104.74351	0.8
105.07034	1.9
107.04935	0.9
107.08574	2.2
108.04508	0.7
109.02876	1.4
109.10126	2.0
110.05999	1.2
113.05978	0.8
116.98639	1.2
119.04938	1.1
119.08578	1.1
121.02856	3.2
121.10094	1.5
122.06042	1.2
123.11704	1.0
124.07589	0.8
127.03893	1.3
129.01648	0.7
130.06549	1.1
133.10190	0.9
135.11719	1.0
136.07556	1.2
137.05956	1.3
147.04405	3.2
150.05499	1.3
151.19035	0.7
153.09175	1.0
158.99632	1.0
164.07080	1.3
167.07024	1.9
177.05527	1.3
185.04245	1.9
185.06985	0.8
188.12709	1.5
190.08632	1.2
191.06668	0.8
191.14323	0.9
202.08661	1.1
237.02919	1.4
257.09692	0.9
263.78418	0.8
268.69043	0.9
271.10916	1.0
272.09274	1.0
275.10428	0.9
289.11853	1.7
317.11172	1.8
335.12326	4.1
335.15942	1.1
353.12085	100.0
354.12390	1.3
376.32965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
53.16908	1.6
55.01868	2.7
55.05504	5.5
56.96564	3.8
65.03922	3.4
67.05493	7.6
69.03419	6.0
69.07058	9.7
71.04985	1.5
71.31374	2.9
75.17610	1.5
79.05499	12.2
81.07059	13.5
83.08632	1.7
85.06541	3.6
91.05483	100.0
93.07058	15.9
95.04955	5.7
95.08619	12.2
98.97564	6.9
103.05483	4.5
104.82884	1.7
105.03400	5.9
105.04541	2.1
105.07036	29.4
107.04936	3.3
107.08570	9.5
109.02872	1.7
109.06553	3.0
109.10153	5.6
115.05450	14.4
116.98634	4.7
117.07036	9.8
119.04945	48.3
119.08572	8.8
121.06487	6.6
121.10138	5.2
123.08069	3.4
123.11629	2.9
125.09636	2.1
128.06236	6.1
129.07016	15.8
131.08557	6.6
133.06497	3.0
133.10121	4.2
135.04361	2.3
135.08034	3.5
135.11647	4.9
137.09622	2.1
141.06990	5.8
143.08562	5.3
145.02834	1.9
145.06541	2.4
145.10127	6.4
147.04410	3.9
147.11693	4.4
149.05984	5.3
149.09514	3.3
149.13290	2.3
151.03949	1.8
151.07553	7.2
155.04915	5.3
155.08534	4.3
155.54500	1.6
157.06506	13.8
157.10103	4.6
159.11688	3.5
161.05919	4.1
161.13187	2.3
165.07011	8.1
166.07730	1.6
167.08604	3.0
171.04501	2.2
171.11642	2.6
173.06020	2.8
173.13248	2.0
174.03223	1.7
177.05472	5.5
178.07765	8.2
179.08565	12.3
183.04446	5.0
185.06027	2.4
185.13232	1.7
186.03368	1.8
189.06956	2.4
190.07765	2.3
191.06995	2.9
191.08553	11.9
191.10329	2.5
192.09445	8.6
193.06468	3.5
193.10110	6.2
194.07295	3.0
195.08055	3.0
195.11760	2.1
197.05975	3.2
197.09727	2.8
197.13287	2.6
199.07584	2.5
199.14703	2.3
201.05455	4.3
202.02567	3.6
202.07819	7.5
203.06923	3.7
203.08562	17.2
204.09343	20.4
205.04868	2.6
205.06596	2.5
205.10114	5.2
206.11029	2.2
207.08098	12.7
207.11696	13.0
215.06998	2.8
215.08638	23.0
216.09344	25.9
217.04967	62.9
217.07008	3.6
217.10117	8.4
218.05350	2.3
218.07233	3.7
218.10910	5.0
219.08061	6.4
219.11719	11.7
220.08951	2.6
221.09618	6.8
221.13191	5.1
223.07515	4.0
225.09103	4.3
226.07793	2.8
227.08615	2.4
228.09262	9.1
229.10158	30.7
230.10887	2.2
231.08134	8.9
231.11705	28.0
232.08781	11.7
232.12474	2.2
233.09599	10.5
233.13251	2.2
234.10384	5.3
235.05800	2.5
235.07753	3.6
235.11176	12.5
239.14284	2.5
242.07332	2.9
244.08960	7.9
245.09776	2.7
246.10452	2.2
247.11209	23.5
248.12068	3.0
249.09068	5.9
249.12756	41.2
250.06282	3.8
251.07068	2.0
251.14154	1.9
253.00204	2.0
253.08656	2.5
257.09653	11.6
258.10400	3.6
259.07797	1.7
259.08649	2.1
259.11200	19.0
260.08173	3.3
261.09131	7.3
261.12698	3.3
262.09885	4.4
267.13800	4.7
272.24374	1.7
274.09857	4.3
275.10651	25.9
276.11359	5.0
277.08939	2.5
277.12238	43.9
279.10132	15.9
279.13553	3.1
281.07953	2.4
283.06058	2.9
285.09122	10.4
289.08813	2.0
289.12234	6.5
291.13620	2.9
293.08472	2.8
293.11536	3.3
293.23050	2.1
294.12485	3.1
295.05804	1.7
302.09354	4.9
303.10165	12.3
305.08099	2.9
307.13364	8.0
309.14758	3.8
317.11499	8.7
320.10199	4.9
321.11020	3.4
330.18430	2.0
335.12753	81.0
353.06656	2.2
353.10034	28.5
353.13864	12.6
353.22800	39.9
353.28122	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	352.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.05502	3.2
56.05032	4.7
56.96553	0.8
57.03431	2.1
58.06595	3.2
59.04996	1.8
65.03947	2.0
67.05505	7.7
69.03412	2.4
69.07047	1.2
69.96190	4.0
70.06586	1.5
71.04997	7.5
72.04529	1.1
72.08158	3.4
73.06557	1.6
81.03402	1.1
82.04179	1.9
82.06560	1.1
83.04980	11.4
84.08146	13.7
85.02906	2.8
85.06538	2.3
85.08932	1.2
86.09718	1.7
87.04472	1.6
87.08147	1.0
93.03413	4.0
96.08135	1.6
97.02911	1.4
97.06541	23.6
98.09702	15.1
98.20753	0.8
98.97595	1.8
99.08115	1.6
102.09156	1.6
110.09665	2.9
110.23579	0.9
111.04441	14.4
112.07624	1.1
114.09226	1.1
115.03931	1.7
115.07580	5.8
116.10736	65.3
123.04450	0.8
125.05151	1.5
125.06000	17.6
126.09150	1.7
127.09915	1.2
128.10712	19.9
129.09126	4.6
133.04976	2.0
138.09155	1.5
142.12294	3.8
142.87988	0.7
143.07037	13.8
156.10225	8.3
158.99782	0.9
165.05426	0.9
175.05986	0.8
188.12828	41.9
215.53548	0.8
220.15474	9.6
230.13811	1.4
242.13858	1.3
274.16507	15.0
306.19086	4.4
320.13370	1.8
320.17056	28.4
334.18683	2.8
352.19669	100.0
353.20047	2.6
370.75784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	44.0
57.03423	3.1
61.02910	3.9
65.18736	2.2
69.03432	12.8
70.06566	2.3
71.56918	2.3
71.57367	3.2
81.03417	4.9
82.06569	3.0
84.96029	10.8
85.02907	23.5
97.02898	10.0
97.96811	4.2
98.97588	100.0
99.04481	2.6
100.99144	7.4
102.11404	2.5
110.97562	17.3
112.99140	12.3
116.98631	20.9
124.99135	6.8
127.03909	5.1
128.98595	14.1
131.00169	18.2
134.99648	3.3
136.07672	2.2
143.00154	14.4
144.22070	2.6
144.98044	3.0
145.01642	2.8
145.03459	4.3
145.04898	2.9
146.99643	5.5
149.01234	10.9
152.19905	2.5
158.99670	15.3
161.01241	9.4
165.00746	2.8
170.99643	5.8
171.03242	2.8
173.01260	4.3
173.02972	2.7
174.11186	4.7
175.02829	2.6
177.00706	5.6
180.12088	4.4
182.99603	2.4
185.03008	2.4
189.00710	5.5
189.04314	3.0
189.48000	2.3
190.98695	5.0
191.02290	4.4
201.00757	5.7
203.02287	3.6
205.03856	3.2
207.01779	6.3
208.99773	4.0
209.03357	4.9
219.01689	18.8
223.05011	3.6
232.99706	5.7
233.03212	3.8
237.02805	16.0
251.04376	8.6
261.02887	3.1
269.05460	15.3
293.05374	27.1
293.08597	4.3
311.06552	40.7
311.09891	5.1
353.07773	17.9
353.12518	7.6
353.19818	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	352.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.05514	3.5
55.95831	0.4
58.06601	0.4
65.03930	1.1
65.09658	0.4
67.05494	0.9
69.03416	1.2
69.07072	0.8
70.06596	0.6
71.04996	0.5
71.58218	0.5
72.08160	2.9
73.08473	0.4
73.15079	0.4
76.40485	0.3
78.61214	0.3
80.98943	0.3
81.03416	0.5
82.06574	0.4
83.04984	5.1
84.08138	1.4
85.02900	1.3
85.06542	1.0
85.08920	1.4
86.09727	0.6
87.00838	0.5
87.08098	0.7
91.05486	11.6
95.04948	0.4
97.02879	0.9
97.06538	0.6
98.09692	0.9
99.04464	0.4
100.07623	0.7
101.06017	2.0
102.05540	4.3
102.09164	2.7
105.01879	0.8
109.02888	0.7
109.29778	0.4
110.09675	0.4
111.04414	1.9
115.07561	1.4
116.10754	0.8
119.04951	32.0
120.08109	1.2
125.06008	0.6
126.09131	0.4
127.03880	0.9
127.33295	0.4
128.10719	11.0
129.05431	0.4
136.07504	0.3
143.07077	2.0
145.04967	0.6
147.04416	100.0
148.04752	1.0
156.10220	10.6
160.13329	5.1
166.08681	0.4
167.07019	0.5
174.11276	10.5
175.04016	0.5
177.05473	0.8
183.12364	0.4
188.12830	9.2
188.14412	0.6
191.90854	0.4
206.13889	42.0
207.06598	0.9
207.14279	0.5
305.30893	0.4
320.14841	1.3
321.13965	0.5
352.08804	0.4
352.17609	13.7
369.36063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
54.70414	0.8
55.01870	1.8
55.05508	1.5
57.03425	1.5
61.02924	2.1
67.05508	2.1
68.99799	1.9
69.03432	9.1
69.07074	16.1
69.25890	2.3
69.26306	5.6
70.70786	0.7
71.04977	1.2
72.08155	0.9
73.02915	1.8
78.40053	0.7
79.05496	2.6
81.03418	6.7
81.07065	1.6
82.06573	1.7
83.04980	2.2
84.75340	0.7
85.02415	1.6
85.02906	22.6
86.09701	0.9
87.00829	12.8
91.05490	3.7
93.07065	0.9
95.04971	3.0
95.08636	0.9
97.02898	14.9
98.97578	0.9
99.04448	3.1
104.03213	0.9
105.01869	19.4
106.88014	0.8
107.04958	3.3
108.04540	1.2
109.02888	6.6
111.08092	2.2
115.07601	0.9
117.01906	1.0
117.03271	0.8
119.04934	2.5
120.08113	4.1
121.02882	1.7
127.03919	22.6
128.06989	1.1
128.10698	2.3
129.01884	1.0
131.08577	1.1
135.04419	7.5
137.02322	4.8
145.02840	1.2
145.04964	15.2
147.04396	5.8
149.02347	1.1
153.09076	0.9
156.10165	1.1
159.02905	5.3
161.02306	5.1
163.03912	19.7
165.09154	0.8
167.03331	0.7
174.05496	1.8
174.11264	2.5
175.04004	1.1
177.09129	1.8
181.04993	5.4
189.03940	1.0
190.08798	0.7
191.03386	10.4
195.08307	0.9
195.10170	3.1
206.13892	2.7
207.06500	1.3
209.04417	1.8
223.07593	1.1
231.04979	6.7
249.06081	3.6
269.08087	1.2
279.06534	1.4
283.05911	0.9
295.06116	3.8
296.06738	1.0
297.07593	34.6
307.06113	2.4
310.04620	1.9
321.18060	1.5
323.05502	0.9
324.06213	2.0
325.07068	83.4
352.05502	0.8
352.17700	1.2
353.06577	100.0
353.20792	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01879	7.8
55.05511	13.8
55.97967	1.4
57.03442	9.9
57.07075	3.7
60.19212	1.5
67.05172	2.4
67.05511	35.6
69.07063	14.3
70.69977	4.6
70.70368	1.4
71.04974	2.9
71.08630	1.4
79.05498	53.0
81.07061	69.4
83.04976	3.4
83.08628	8.4
85.06544	2.7
91.05483	39.0
93.07051	60.3
95.04964	5.6
95.08044	2.3
95.08615	31.4
97.06530	3.9
97.10167	2.2
98.88003	1.6
98.97624	1.8
99.08104	1.6
105.07040	41.5
107.04990	2.2
107.08602	36.0
109.06535	15.2
109.10165	13.0
111.04453	18.8
111.08073	3.4
113.09660	1.4
117.07017	8.4
119.07784	2.5
119.08585	32.3
121.06480	1.4
121.09296	2.4
121.10152	31.5
123.08086	3.0
123.11740	3.8
125.05982	4.9
125.09626	1.5
128.06259	1.6
129.07004	5.2
131.08577	14.8
133.10139	33.9
135.08054	4.0
135.11714	33.9
137.05984	100.0
137.09601	3.1
137.13252	3.6
142.07855	1.6
143.08580	9.1
145.10123	14.2
147.08084	1.4
147.11694	37.8
149.09612	5.7
149.13272	21.1
151.07532	3.6
151.11153	2.9
157.10115	10.4
157.16818	1.6
159.11710	15.2
161.09692	8.5
161.10884	1.6
161.13271	29.4
163.11192	4.2
163.14832	6.6
165.09096	2.1
165.12770	1.2
171.11662	9.5
173.13293	7.2
175.11176	6.3
175.14818	13.9
177.12796	3.0
177.16438	1.6
179.10640	2.8
185.13295	10.9
187.14864	2.9
189.12753	3.4
191.07065	3.0
191.14316	1.7
193.12230	2.6
199.14804	4.1
203.14307	2.7
203.17990	5.4
213.16417	4.9
217.15808	1.7
217.19499	4.4
219.35678	1.3
221.15543	1.8
221.18896	2.2
227.10553	1.7
231.17461	13.4
231.21056	6.5
241.19553	24.5
249.18568	11.1
259.20587	61.8
277.17978	43.4
277.21588	9.4
295.19016	4.8
319.54074	1.4
323.09106	1.8
333.24234	5.2
351.08444	3.2
351.12329	5.6
351.21393	18.8
351.25345	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97197	0.8
53.03933	2.1
53.04871	0.9
55.01866	6.9
55.05515	11.1
56.96563	2.6
57.03436	4.4
61.35762	0.9
65.03944	0.9
67.05164	1.7
67.05507	18.4
69.03451	1.1
69.07075	8.5
69.55178	6.3
70.57390	1.1
71.04995	1.8
79.05502	25.1
81.07062	49.4
83.04986	4.3
83.08611	3.6
85.06532	1.3
91.05482	18.2
93.07054	31.1
95.04971	1.6
95.08611	16.9
97.06548	2.6
97.10221	1.2
98.97576	4.5
99.08055	1.9
105.07034	22.6
107.08592	18.5
109.06525	12.3
109.10169	7.6
111.04462	12.1
111.08077	1.8
115.05502	1.6
117.07011	5.8
119.08590	18.9
121.06468	1.1
121.10149	16.2
123.08055	2.7
123.11695	3.0
125.05965	2.9
127.07539	1.0
128.06226	1.1
129.06998	3.4
131.08597	9.6
133.06468	1.2
133.10143	17.4
135.08054	3.1
135.11700	19.1
137.05984	100.0
137.09587	2.3
137.13257	1.9
138.06424	1.5
142.07785	1.3
143.08562	4.2
145.10149	9.7
147.07977	1.2
147.11697	19.8
149.09581	3.0
149.13271	9.6
151.07564	2.4
151.11246	1.3
157.10115	5.2
159.11681	6.0
161.09654	5.7
161.13261	12.6
163.11221	3.7
163.14801	2.8
165.09192	2.0
165.12740	1.1
166.63928	1.0
171.11743	6.8
173.13263	4.2
175.11143	5.0
175.14841	6.1
177.09172	1.1
177.12807	2.7
179.10701	2.3
179.14285	0.9
181.12247	1.3
185.13287	6.6
189.12735	2.4
193.12216	1.3
197.13145	1.2
199.14809	3.0
199.66556	0.9
203.17986	5.6
213.16388	3.6
217.19513	2.1
221.19116	2.6
231.17458	10.3
231.21098	2.6
241.15854	1.8
241.19502	9.4
249.18530	9.4
259.20590	26.1
277.14935	1.8
277.18024	36.1
277.21555	3.8
278.18439	1.2
295.19043	3.8
309.13690	3.6
317.05884	0.9
333.19821	1.2
333.24200	2.1
341.66803	1.0
351.08475	23.5
351.12134	2.2
351.21445	38.2
351.25443	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.0
53.03939	4.4
55.01862	1.6
55.05294	1.7
55.05511	19.6
55.06104	1.5
56.96556	6.5
57.03430	6.0
57.07068	5.4
63.29109	1.8
67.05167	3.0
67.05509	47.5
69.03420	3.3
69.07076	17.2
69.27717	15.7
71.04979	3.9
75.04484	2.0
79.05499	61.6
79.05959	3.4
81.03436	1.7
81.07063	51.7
83.04959	2.2
83.08615	7.5
85.06539	6.4
90.81106	1.5
91.05486	54.9
91.35513	1.5
93.07052	80.9
94.07372	1.6
95.04968	5.9
95.08614	34.6
97.06510	4.4
98.97583	5.6
99.08084	4.0
105.07037	64.0
107.04949	2.8
107.07868	2.2
107.08597	44.8
109.06533	3.1
109.10151	13.8
113.09616	1.7
116.98641	2.9
117.07028	19.8
119.08594	58.6
121.06511	1.7
121.10159	35.0
123.08063	2.3
123.11734	2.0
129.07027	9.7
130.07776	2.3
131.08577	22.5
133.10143	45.3
135.08072	3.1
135.10680	2.1
135.11707	30.0
142.07860	1.9
143.08607	11.8
145.10144	23.5
147.11697	46.7
149.09732	1.8
149.13263	20.7
151.11205	2.3
157.10172	11.2
159.11710	23.3
161.09555	2.8
161.13278	34.4
163.11192	3.4
163.14844	8.1
171.11707	18.3
171.67380	1.5
173.13278	11.2
175.11195	2.5
175.14827	21.7
177.05602	1.8
177.12747	3.1
185.13293	15.3
187.14847	3.7
189.12773	3.6
189.16286	2.1
191.14294	1.9
197.13231	2.5
199.14801	10.3
203.14226	1.9
213.16373	5.1
215.18106	1.8
217.19585	4.9
222.96819	1.6
231.17461	2.3
231.21088	10.9
241.19537	31.4
251.07033	2.3
259.20590	100.0
277.21625	5.1
291.12756	2.4
303.61255	1.8
321.07715	2.6
333.24390	3.4
336.10107	2.0
351.08334	2.3
351.11948	19.3
351.21332	22.6
351.25302	51.8
351.37622	1.9
352.25378	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
53.53036	2.2
55.01881	2.9
55.05516	35.6
56.96567	1.9
57.03181	2.9
57.03444	50.6
57.07069	5.5
65.03947	2.9
67.05511	74.0
69.03445	2.3
69.07072	27.8
69.45760	8.1
69.46194	6.6
71.04994	5.2
78.44196	1.7
79.05500	77.7
81.07063	87.5
83.04980	5.3
83.08633	19.9
85.06544	7.5
91.05487	71.1
91.06063	3.0
93.07053	100.0
95.04969	9.6
95.08616	67.1
95.09230	3.4
97.06520	6.6
97.10190	5.3
98.33057	1.8
99.08034	4.2
105.04539	2.4
105.07032	61.1
107.08602	66.7
109.06512	5.8
109.10165	27.1
111.08092	4.5
113.09670	2.9
117.07003	15.2
119.08588	46.1
119.36347	2.3
121.10159	47.6
123.08087	3.1
123.11736	11.6
125.09634	4.2
129.06978	10.4
130.07759	3.0
131.08577	23.4
133.10150	45.0
133.11110	1.5
135.11699	39.3
137.09659	4.4
141.17047	1.8
143.08554	7.2
145.10146	17.6
147.10698	1.8
147.11703	44.6
149.13254	26.0
151.03954	3.1
151.11096	3.1
153.12851	1.9
157.10158	8.3
159.11737	19.2
159.93268	1.9
161.13248	21.6
163.11148	5.0
163.14798	5.4
165.12779	3.8
171.11716	12.2
173.13271	6.4
175.11281	2.5
175.14813	12.0
185.13286	13.6
187.14825	12.2
199.14839	8.0
201.16431	5.0
203.14459	2.2
203.18068	2.9
205.15877	4.5
213.16321	2.0
216.62556	1.8
217.16025	2.2
221.19016	4.1
231.17537	3.1
231.21030	5.0
241.19531	19.2
253.08640	6.1
259.20599	62.6
277.21631	25.3
333.24188	5.9
351.12289	11.2
351.16132	4.3
351.25348	77.3
360.74176	2.3
369.66208	2.1
370.74466	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54726	1.5
53.03934	3.2
54.45095	1.5
55.01867	3.6
55.05516	16.0
56.96562	4.8
57.03431	5.6
57.07069	2.6
60.13378	1.5
65.03936	2.0
67.05508	48.1
69.07074	13.8
70.81214	3.6
70.81564	2.3
71.04983	2.0
79.05499	66.1
81.07059	48.8
83.08604	7.1
85.06524	3.3
91.05488	64.3
93.07051	73.7
95.04957	7.2
95.08611	39.3
97.06525	4.5
97.10207	1.9
99.08069	2.7
105.04506	2.8
105.07036	69.1
107.04955	2.1
107.07876	2.5
107.08597	50.5
109.06522	5.0
109.10164	13.9
111.08067	2.2
115.05462	3.1
117.07039	15.9
119.08583	55.4
121.06466	2.2
121.10152	35.4
123.11694	3.2
125.09663	2.0
128.06227	2.1
129.07016	11.4
130.07796	1.8
131.08577	22.6
133.10133	48.6
135.08083	2.7
135.11707	33.9
137.09534	1.8
142.07719	3.2
143.08580	13.0
144.14500	1.6
145.10123	23.6
147.11694	52.0
149.09654	4.1
149.13268	24.4
155.02440	1.6
157.10097	12.3
159.11699	26.1
161.09618	1.9
161.13274	40.6
161.74240	1.6
163.11282	2.1
163.14841	6.2
165.01804	5.2
165.12723	3.5
171.11691	12.6
173.13298	12.0
175.14844	16.6
177.12669	1.9
183.02885	2.7
185.13301	13.9
187.14848	4.5
189.16396	1.8
193.63837	2.3
199.14835	9.0
203.14223	2.5
213.16397	6.0
217.15851	2.3
217.19513	2.2
231.17426	3.5
231.21066	7.7
241.19496	31.4
251.06924	1.6
253.08533	3.6
259.20587	100.0
261.22211	1.8
269.08035	5.0
277.21664	4.7
285.10138	2.2
296.62921	1.9
333.17273	2.0
333.24326	3.2
351.12326	10.5
351.18546	4.3
351.25296	57.0
352.25589	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
53.25958	1.0
55.01868	2.7
55.05300	1.1
55.05519	11.8
55.07998	1.1
57.03183	1.9
57.03440	27.8
57.07074	2.0
65.03922	2.1
67.05168	2.0
67.05506	29.1
69.07077	9.4
71.02111	2.5
71.02436	1.4
71.04992	2.6
77.03923	1.6
77.95300	1.0
79.05055	2.1
79.05499	33.5
81.07062	40.6
83.04991	2.0
83.05894	1.1
83.08620	7.2
85.06548	2.9
91.05486	35.6
93.07052	44.0
95.04972	2.8
95.08611	29.4
97.06550	3.5
97.10181	3.5
99.08103	1.7
105.03395	1.0
105.07035	26.6
107.07875	1.4
107.08600	26.2
109.06538	3.2
109.10170	9.1
111.08068	1.5
111.11797	1.2
117.07023	7.0
119.08597	19.2
121.10145	22.3
123.08105	2.3
123.11710	3.8
125.09679	2.0
128.06195	1.3
129.07014	3.9
131.08577	12.1
133.10132	20.3
135.11693	19.3
137.09631	1.4
140.69659	1.2
143.08577	3.4
145.10133	12.3
147.11690	18.2
149.09529	1.4
149.13249	10.8
151.11183	2.1
157.10167	3.5
159.11716	7.7
161.13295	12.2
161.21651	1.1
163.14856	3.0
169.37503	1.3
171.08105	1.1
171.11717	4.1
173.13293	4.5
175.03999	2.8
175.14876	5.2
177.05501	2.9
177.16504	1.2
185.05986	1.8
185.13316	4.2
185.24922	1.1
187.07544	2.7
187.14844	6.4
195.08022	1.6
199.14832	4.6
203.18001	1.6
205.15932	3.0
211.07744	1.2
221.19043	2.5
229.08574	2.7
231.17477	2.0
231.21117	3.8
235.07509	1.5
237.09174	1.7
241.19499	10.4
253.08612	11.9
254.04971	1.3
255.10170	1.4
259.20602	29.2
262.09900	1.9
263.06891	1.1
265.08524	1.9
277.08542	1.9
277.21658	12.7
290.09058	1.9
293.07718	6.1
294.08286	1.1
297.07550	1.1
305.08145	2.8
305.11554	1.4
307.09006	1.6
308.72012	1.0
309.07623	1.2
309.11032	1.4
315.10394	1.1
318.08603	1.5
319.09558	2.7
320.10471	1.8
321.07547	7.2
323.12097	3.4
333.11172	6.1
333.14685	1.5
333.24365	2.5
335.09164	1.6
336.09763	4.2
337.10727	3.1
351.12173	100.0
351.15921	3.8
351.25262	37.5
352.12900	4.9
352.26218	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.3
53.03938	3.8
55.01865	2.6
55.05512	18.8
56.96568	9.9
57.03436	7.7
57.07052	2.0
58.85670	1.1
65.03934	4.3
67.05507	47.1
69.07076	19.3
71.04990	3.1
71.58172	1.2
72.01071	1.3
75.04490	1.7
77.03940	1.5
79.05494	66.1
81.07056	52.8
83.04984	3.1
83.08624	8.9
85.02895	1.5
85.06535	4.8
85.09095	1.5
86.34548	1.2
91.05480	72.9
93.07043	92.1
95.04967	8.2
95.08607	41.3
97.06538	3.7
97.10142	3.2
99.08096	3.9
103.05444	2.2
105.07029	62.9
107.05012	2.2
107.08597	56.2
109.06516	4.3
109.10151	15.5
109.93175	1.5
113.09660	2.7
115.05438	2.0
117.07027	12.5
119.08585	56.2
121.06525	1.7
121.09302	2.4
121.10144	38.6
123.08079	1.8
123.11703	5.0
125.09673	1.5
129.07002	10.0
130.07744	1.5
131.04884	1.4
131.08583	21.8
133.10133	49.3
135.08054	3.4
135.10660	2.8
135.11696	47.1
137.09602	3.3
137.13231	1.4
143.08560	11.7
145.10129	28.6
147.08138	1.8
147.11690	46.6
149.09625	3.9
149.13269	27.3
151.11174	3.3
156.09160	1.4
157.10150	8.9
159.11691	23.2
161.09601	2.2
161.11960	2.2
161.13266	37.6
163.11084	2.0
163.14836	7.3
165.06926	1.4
171.11708	14.0
173.13266	12.8
175.04030	1.4
175.11227	2.6
175.14827	19.0
177.12782	3.9
177.16449	1.4
185.13251	14.9
187.14839	4.7
189.12717	1.7
199.14842	9.2
203.14297	2.1
213.16431	3.7
215.17992	2.1
217.19478	1.8
231.17433	2.8
231.21049	8.7
235.07445	1.5
241.19527	35.8
248.08389	2.3
251.06908	1.9
253.08609	5.6
259.20575	100.0
260.21066	2.1
265.08701	1.7
267.10281	3.1
277.08658	3.5
277.21613	12.1
291.09909	2.7
293.08035	2.6
305.11871	1.8
309.13879	1.7
310.11469	1.3
319.09579	4.0
323.12961	3.2
333.11237	2.5
333.17545	2.6
333.24237	6.7
351.08612	2.0
351.12320	46.7
351.15964	5.1
351.25305	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	351.2321
Annotation	3,5-Dihydroxy-4-(3',7'-dimethylocta-2',7'-dienyl)bibenzyl
Peak:m/z	Relative Intensity
53.03937	1.3
55.05504	2.3
57.03415	0.6
57.07067	1.7
65.03941	1.1
67.05511	8.4
69.07075	31.1
79.05500	10.5
81.07062	59.8
83.08632	1.1
85.02901	2.3
91.05485	38.1
93.07057	2.9
95.08614	21.5
97.02916	1.0
105.07040	13.3
107.08601	1.8
109.06557	1.0
109.10158	2.3
117.07009	0.8
119.08562	1.5
121.06458	0.7
121.10133	2.0
123.04427	5.5
124.05222	20.8
127.39236	0.6
129.07007	0.9
131.08577	1.1
133.06512	1.8
133.10150	1.6
135.11743	0.9
136.05153	1.0
137.05928	0.9
137.13255	2.1
140.23013	0.6
145.10124	1.1
147.11632	0.6
154.93059	0.6
161.05959	0.7
161.13283	1.4
175.03886	0.7
175.07559	3.5
177.16434	0.7
178.07805	0.7
199.14763	0.7
201.09135	1.1
209.13127	0.7
214.09880	14.5
215.10689	44.4
216.11180	0.7
219.17389	0.8
227.10684	13.8
241.12096	0.8
242.79651	0.6
251.07364	0.8
253.08656	5.2
267.10141	3.6
267.13419	0.7
271.42810	0.7
283.16895	5.0
293.08231	0.7
295.16928	2.2
351.11902	2.3
351.16013	4.4
351.23196	100.0
352.23526	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01865	2.7
55.05298	1.8
55.05516	23.4
56.96551	9.8
57.03427	6.4
57.07067	4.6
57.50634	1.9
58.69133	2.0
60.08606	2.0
61.50325	1.7
63.86805	2.3
65.03905	2.5
67.05509	55.9
67.09382	2.2
67.46007	2.4
69.07063	15.8
71.04984	5.3
71.08619	8.9
74.74287	1.9
75.00369	2.4
79.05063	4.4
79.05498	71.7
81.07063	56.8
83.04964	3.8
83.08589	6.3
85.06528	4.2
91.05483	78.4
93.07050	91.5
95.04932	7.7
95.08611	38.7
97.06526	6.5
97.10149	3.3
98.97603	3.3
99.08089	13.9
105.07034	72.1
107.08599	47.3
109.06497	2.7
109.10159	15.9
111.08031	2.5
114.24316	2.2
115.05482	3.1
117.07034	16.2
119.08582	63.9
121.10152	33.1
123.08098	4.0
123.11690	5.0
125.09610	3.3
128.06198	2.4
129.06990	9.5
131.08601	22.6
133.10139	54.7
135.08084	2.3
135.11707	39.2
143.08569	14.0
144.09227	2.3
145.10106	29.7
147.11693	57.5
149.09579	3.6
149.13263	25.0
151.11142	2.7
157.10172	15.4
159.11697	20.1
161.11972	3.2
161.13277	44.9
163.11209	5.3
163.14810	8.3
171.11722	14.9
173.13290	11.2
175.14828	24.3
177.12732	2.6
179.14369	3.5
185.13260	16.9
187.14789	3.3
189.12729	4.3
189.16411	3.5
199.14807	7.2
213.16396	3.1
217.19472	3.4
231.17429	6.2
231.20967	12.5
241.19478	40.8
241.21742	4.1
253.08604	5.7
259.20596	100.0
267.07196	2.6
267.10056	3.6
277.21622	10.0
285.07919	16.0
303.09003	7.2
321.07440	4.3
324.49994	2.2
333.24240	4.4
336.10019	3.9
351.08469	4.0
351.12366	30.5
351.16437	4.2
351.21533	4.6
351.25305	66.1
369.13815	18.6
369.18082	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.232
Annotation	3,5-Dihydroxy-4-(3',7'-dimethylocta-2',7'-dienyl)bibenzyl
Peak:m/z	Relative Intensity
55.05513	0.3
57.07071	0.3
57.45346	0.2
60.73076	0.2
63.85175	0.2
65.03945	1.1
67.05499	0.9
69.07082	3.1
71.28555	0.4
79.05494	0.4
81.07058	2.7
84.79999	0.2
89.58273	0.2
91.05486	100.0
92.05835	0.8
93.07061	0.3
95.08632	1.4
97.02885	0.3
103.05454	0.4
105.07038	3.6
111.11692	1.1
113.02322	0.3
117.06980	0.3
121.06518	0.3
123.04421	1.3
129.06998	0.4
131.04927	1.0
135.04369	0.2
137.13271	0.4
141.07008	0.3
143.08563	0.6
149.06007	1.3
152.46071	0.2
155.08612	0.3
160.68324	0.2
165.06969	0.3
166.07816	0.8
167.08502	0.7
167.19171	0.3
170.73747	0.2
173.05940	0.4
181.10143	1.5
182.16283	0.3
185.09592	1.5
191.08502	0.3
199.11166	0.6
209.09575	0.9
211.11302	0.3
218.27855	0.3
226.09561	0.3
227.10677	93.5
228.11044	1.9
241.08583	0.8
241.12216	1.4
251.06960	0.6
253.08556	0.4
267.13763	0.9
283.17105	0.3
291.90005	0.2
295.13385	0.3
297.56168	0.4
330.99652	0.3
351.12357	0.3
351.19547	0.6
351.23264	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	351.2145
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05504	0.4
56.96560	0.5
57.30051	0.3
60.42905	0.3
64.55026	0.3
67.05511	1.0
69.03436	0.3
69.07076	0.8
69.95689	0.9
69.96101	1.2
77.00910	0.5
79.05503	0.9
81.07052	1.9
81.58800	0.4
83.04974	0.4
91.05487	1.5
93.07037	1.1
95.08639	0.9
105.07050	0.9
107.08604	0.8
109.06519	0.4
109.10144	0.4
117.07016	0.4
119.08603	0.6
121.10160	0.3
128.52643	0.4
131.08600	0.7
132.60414	0.3
137.06047	1.0
145.10107	0.8
175.14955	0.4
177.05460	0.7
211.38684	0.4
215.11317	1.0
235.13181	0.4
243.14412	0.6
247.07378	0.4
251.06973	0.4
253.12956	1.1
271.13882	0.9
291.10040	0.5
293.08112	1.0
319.09729	0.6
321.07635	3.1
323.13107	0.5
333.11230	0.6
333.19870	1.8
336.10028	1.9
351.12384	16.8
351.21439	100.0
352.21658	2.0
369.21536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2159
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
53.03950	2.1
55.01875	6.2
55.05518	6.9
56.30282	0.8
56.96561	1.3
57.03444	4.8
57.07067	1.3
67.05508	14.7
69.07073	6.4
71.04987	1.6
71.08631	1.1
71.11568	2.0
73.49331	0.9
79.05503	17.7
81.03437	0.8
81.07063	41.2
83.04980	3.3
83.08624	3.6
85.06535	1.4
91.05492	13.1
93.07049	23.2
95.04980	2.0
95.08614	14.0
97.06531	1.9
97.10159	1.8
98.97614	1.5
99.08083	1.1
103.05478	1.1
105.07040	14.3
107.04960	1.2
107.08605	17.0
109.06528	14.2
109.10146	4.7
111.04446	14.2
111.07325	0.8
111.08077	1.4
117.07030	2.4
119.08584	15.6
121.10146	13.9
123.08092	1.8
123.11738	2.5
125.05998	5.3
129.07001	2.9
131.08571	5.7
133.10152	14.5
135.08023	3.3
135.10776	1.5
135.11705	12.4
137.05988	100.0
137.13252	2.1
143.08540	3.4
145.10118	8.0
147.08047	1.1
147.11710	12.6
149.09637	3.8
149.13289	7.9
151.07558	3.6
151.11211	1.3
157.10115	3.9
159.11674	5.2
161.09618	5.8
161.13260	9.9
163.11197	4.4
163.14813	3.3
165.09039	1.7
165.12961	1.0
167.10707	0.9
171.11699	3.5
173.13248	4.1
175.11218	5.8
175.14815	5.4
177.12715	1.6
179.10710	2.4
179.14224	1.0
184.95047	0.8
185.13274	3.5
187.14757	1.7
189.12743	1.9
193.12254	1.2
199.14850	2.0
203.14384	1.4
203.17995	6.1
213.16373	3.1
213.94182	1.0
221.19031	2.0
223.14864	1.1
231.17471	8.6
231.21115	2.5
241.15869	1.2
241.19540	7.9
249.18535	10.4
259.20581	22.6
277.18018	34.7
277.21246	2.7
295.19009	3.8
333.20340	4.0
333.24103	1.8
351.08514	15.1
351.12408	1.3
351.21408	59.5
351.25418	13.0
367.35446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1954
Annotation	Phenothrin
Peak:m/z	Relative Intensity
51.72874	0.5
52.48201	0.5
55.01872	4.3
55.05506	1.2
64.22132	0.5
67.05499	2.0
68.99797	1.2
69.07056	2.1
71.57692	0.6
71.58072	0.5
72.19628	0.5
79.05499	2.0
81.07076	4.3
82.02263	0.5
84.89877	0.5
85.71822	0.4
91.05488	10.0
93.07040	3.9
95.04980	1.0
95.08598	2.3
103.05472	3.4
105.03357	0.8
105.07037	3.9
107.08591	2.1
109.06519	1.0
109.10157	2.1
115.05449	0.9
117.07027	12.2
119.08575	2.4
121.10122	1.5
123.11664	0.6
128.06239	0.7
129.06990	2.7
131.04938	43.1
131.08560	1.3
133.10118	1.6
135.11719	0.7
137.05971	0.9
141.01862	4.3
141.06923	0.8
143.08575	1.4
145.10132	2.3
151.03978	0.7
152.06129	0.5
153.06952	0.7
155.04916	0.9
155.08569	0.6
157.06502	1.4
157.10149	1.7
159.11699	1.4
162.12221	0.6
167.08556	0.7
169.10175	1.3
171.11668	0.6
173.06000	1.1
173.13231	0.7
179.08517	0.6
181.10115	0.8
185.06001	14.7
185.13249	0.5
195.11679	1.0
197.13318	0.7
199.07521	1.1
203.07072	5.7
209.13257	0.9
213.16470	0.7
215.07010	2.8
217.15474	0.5
227.07043	100.0
227.10703	3.9
228.07359	1.6
229.08339	0.6
229.11893	0.6
241.08629	2.1
253.08630	2.2
259.09695	1.8
267.09970	0.7
269.11749	1.3
283.13208	0.9
295.13391	1.4
319.09634	0.8
351.08749	0.8
351.12466	3.6
351.15912	1.5
351.19547	5.4
351.23279	5.7
365.74664	0.5
369.13733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1591
Annotation	Ehretianone
Peak:m/z	Relative Intensity
53.03940	0.5
55.01871	0.6
55.05510	0.8
55.93399	0.5
56.96553	1.2
57.03429	0.5
65.03933	1.5
67.05507	2.2
69.03399	0.6
69.07071	1.1
71.18714	1.0
77.55247	0.4
79.05502	2.5
81.07059	10.6
83.01344	1.3
83.08628	0.7
91.05482	87.5
92.05811	0.8
93.07040	4.1
95.04962	1.0
95.08617	1.6
98.97577	0.6
103.05462	0.8
105.03393	1.2
105.07036	2.9
107.04994	0.5
107.08611	2.1
109.06482	0.6
109.10146	0.8
111.08080	0.7
115.05452	0.6
117.07026	0.7
119.04905	0.6
119.08582	2.4
121.10156	1.4
129.06943	0.6
131.08563	0.8
133.10141	1.3
135.04414	1.7
135.11690	1.3
137.06010	1.5
141.06990	1.4
143.08580	1.1
145.10129	1.5
147.04437	2.7
147.11687	1.1
149.02328	1.0
149.13240	0.8
151.03934	0.5
153.06982	0.8
155.08589	1.0
157.06529	1.0
157.10094	0.6
159.11700	1.2
161.13246	1.1
163.03920	2.0
165.07010	0.9
167.08571	1.3
169.10112	1.2
171.08011	0.7
175.03917	16.5
175.14786	0.6
176.04225	0.6
177.05524	0.5
178.07776	3.0
179.08557	7.8
181.06459	1.1
182.07263	1.0
183.08005	0.8
185.13235	0.5
187.14799	0.5
193.04988	0.6
195.08054	1.3
197.06000	1.1
197.09631	2.0
199.07553	2.0
199.14804	0.6
203.07086	0.5
207.08006	4.0
210.06721	2.1
211.07559	2.0
223.07651	1.3
225.09100	9.9
227.10796	0.6
229.08630	0.5
235.07568	8.3
241.08597	1.5
251.07042	7.0
253.08606	100.0
254.08916	2.7
255.10185	9.2
259.20621	1.9
269.08139	1.6
271.09579	1.3
277.08463	0.9
291.10403	0.4
295.09818	0.7
296.50531	0.5
309.11011	0.6
316.73108	0.5
333.14828	9.4
333.18829	0.5
351.12335	2.2
351.15897	41.7
352.16183	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91337	1.1
85.02925	0.8
87.00876	0.4
91.05494	0.5
100.91886	0.4
121.10137	0.8
132.99454	0.4
145.06557	0.8
155.08496	0.5
157.06451	0.8
158.07303	1.0
159.08086	0.9
167.10698	0.6
167.21191	0.4
168.78517	0.4
183.08087	0.7
185.10786	0.4
185.72644	0.4
188.09453	0.7
189.10265	1.0
189.95940	0.5
199.08701	3.3
200.09444	7.9
201.10269	8.3
202.10887	0.5
203.07050	0.5
211.07541	0.8
212.09441	0.8
213.10222	10.1
214.11037	5.5
215.11806	20.6
216.12500	1.2
217.09727	1.2
219.11307	10.8
220.11703	0.4
225.10434	0.5
226.10951	2.5
227.08253	1.1
227.11794	1.4
228.08896	0.9
228.12596	3.1
229.08604	2.6
231.11292	2.8
232.12109	0.7
240.12665	0.6
241.09717	3.3
241.13379	5.2
242.10498	12.8
242.14232	1.0
243.11267	2.9
245.09241	0.7
247.09590	3.2
254.10457	1.0
255.11467	0.7
256.12079	3.6
259.10806	3.4
260.11523	4.9
261.12372	1.3
265.10812	0.5
269.12866	4.8
270.13547	0.6
271.14459	0.6
272.11630	1.4
274.13181	1.1
277.11838	3.7
280.12317	0.6
282.09955	0.8
287.13889	3.5
289.15506	0.8
291.10800	0.7
291.41312	0.4
293.89258	0.5
297.12360	7.0
300.11087	3.2
305.15213	0.5
315.13385	19.3
315.17126	0.9
333.10629	1.0
333.14514	18.9
351.15530	100.0
352.15775	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.7
55.01867	6.5
55.05526	12.7
56.96564	3.2
67.05496	3.1
68.15918	2.2
69.03442	3.3
69.07056	3.3
70.59364	7.4
79.05503	25.1
81.03408	7.3
81.07064	8.6
83.04992	3.9
83.08609	4.1
91.05481	15.5
93.07035	5.9
95.04977	7.0
95.08583	4.5
97.02886	3.0
98.97559	2.7
100.11265	10.0
103.05463	7.0
105.07046	55.7
107.04962	44.3
107.08566	4.9
109.06515	7.2
109.10162	3.8
111.04441	3.1
111.08096	2.4
115.05483	8.2
117.07055	3.3
118.04165	7.3
119.04970	5.5
119.08596	4.1
121.06450	3.8
121.10144	2.6
124.05202	7.4
125.05975	7.1
127.07555	4.3
129.05482	11.3
131.04941	5.3
131.08559	3.8
133.02846	5.5
133.06499	46.3
133.10123	5.6
137.05968	11.8
137.80299	2.4
138.03145	9.4
141.05450	8.8
143.06081	3.2
145.10088	5.4
149.36401	2.6
153.05476	100.0
153.06740	5.2
155.07037	9.4
157.04968	19.3
159.08168	3.3
161.05992	69.5
165.05498	3.8
167.07050	66.3
176.04738	6.1
179.07053	5.7
182.15347	4.7
191.07014	22.0
193.08609	30.9
197.06262	3.4
197.08105	55.3
207.06560	5.7
210.14948	3.0
213.09111	3.1
229.15646	2.5
231.08093	4.0
241.08810	2.9
267.06793	3.0
273.11426	5.6
276.07724	3.6
287.71976	7.8
301.10727	9.1
309.22580	2.5
319.09616	6.8
323.08939	3.1
333.13416	14.4
342.24173	7.2
351.08569	5.3
351.12247	9.7
351.15237	4.5
351.24609	69.4
351.74603	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	351.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	11.0
69.87814	2.6
71.95262	0.8
75.37170	0.4
84.96043	2.1
98.97591	100.0
102.07742	0.4
103.93511	0.5
110.97580	12.0
112.99138	1.6
116.97803	1.1
116.98627	19.9
116.99441	1.1
124.99124	1.2
126.97035	0.7
127.00685	0.9
128.98619	5.7
129.02245	0.9
131.00169	1.5
134.99710	2.6
140.00188	0.5
140.98595	1.3
143.00160	1.9
145.01767	1.2
146.99678	0.9
147.03279	2.6
152.98613	2.5
158.99661	37.7
161.01202	0.6
170.99681	2.6
171.03297	5.2
175.02603	0.5
177.00717	14.1
177.34099	0.5
189.00629	1.2
189.04369	4.6
201.00714	3.2
201.04369	0.6
203.05896	0.6
207.05370	0.8
216.74928	0.4
219.01785	17.7
231.05440	1.3
233.37036	0.6
237.02850	10.8
255.03618	0.6
291.04758	0.4
291.07510	22.2
309.08578	39.0
310.09021	0.6
325.35648	0.5
351.09604	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	351.1227
Annotation	Semiglabrinol
Peak:m/z	Relative Intensity
53.03938	0.1
55.01862	0.2
55.05504	0.3
57.03413	0.2
57.49696	0.1
65.03939	0.2
67.05501	0.6
68.99784	0.6
69.03431	0.1
69.07070	0.3
70.06552	0.1
71.08627	0.2
71.58225	0.2
79.05497	1.2
81.03411	0.3
81.07063	1.2
83.04946	0.2
85.02892	0.2
91.05487	1.2
93.07050	0.7
95.04980	0.3
95.08609	0.4
98.97583	0.3
103.05497	0.2
105.07034	0.6
107.04962	0.5
107.08584	0.5
109.06522	0.6
109.10145	0.5
111.04408	0.3
111.08077	0.2
115.05452	0.4
116.06195	0.2
117.07011	0.5
119.04941	0.4
119.08561	0.4
121.06535	0.3
121.10162	0.3
128.06209	0.4
129.06996	0.4
131.04964	0.2
131.08559	0.8
132.05743	0.2
133.02869	0.5
133.10088	0.3
134.03619	0.2
135.04453	0.4
135.08066	0.1
135.11630	0.1
137.06004	0.8
139.03909	0.3
141.07001	0.3
143.08569	0.3
144.05649	0.3
145.06496	0.6
145.10133	0.2
147.04405	0.3
147.08075	0.2
147.11723	0.3
149.02679	0.1
149.05959	0.3
151.03860	0.3
153.05478	0.5
155.04906	0.3
155.08569	0.4
157.06398	0.2
158.03667	0.2
158.07309	0.3
159.04366	0.2
159.08046	0.9
160.05162	0.2
161.05988	0.5
161.13277	0.2
162.03134	2.1
163.03900	0.4
165.05644	0.2
165.07025	0.5
167.03413	0.2
169.06499	0.3
171.04457	0.2
171.08031	1.0
172.05135	0.2
173.05878	0.6
173.09544	0.2
174.06807	0.4
175.07559	0.2
177.05487	5.5
177.07060	0.3
178.06172	0.2
178.07748	0.3
179.08559	0.2
181.06561	0.4
181.10074	0.2
182.07288	0.2
183.04439	0.7
183.08014	0.6
184.05156	0.2
185.05981	0.4
187.07570	2.1
191.08546	0.3
193.06590	0.3
193.10117	0.3
195.08083	0.8
197.06001	0.3
198.06815	0.3
199.03734	0.2
199.07538	0.2
200.04657	0.3
201.05461	0.3
202.07816	0.5
203.08682	0.2
203.10646	0.2
205.06487	0.1
207.08107	0.3
209.06049	0.3
209.09653	0.2
210.06898	0.2
211.07616	0.7
213.09074	0.3
215.07013	0.5
217.10161	0.5
218.07259	0.2
219.08093	0.8
220.08815	0.6
221.05933	0.4
221.09601	0.5
222.06735	0.2
223.04042	0.2
223.07570	2.9
224.04759	0.2
224.08282	0.3
225.09145	0.5
227.07019	0.2
227.10660	0.2
230.07491	0.2
231.08028	0.4
233.09656	0.7
234.06859	0.2
234.10382	0.2
235.11172	0.2
237.05489	0.6
237.09140	1.1
238.06258	0.3
238.09938	0.5
239.10840	0.2
243.06572	0.7
244.08998	0.2
245.09546	1.1
247.07503	1.0
248.08374	1.3
249.05446	0.3
249.09093	1.4
250.06247	0.3
251.07053	2.7
251.10664	0.3
252.07858	0.2
253.05055	0.2
253.08603	0.4
255.06616	0.3
258.06747	0.3
259.07480	0.2
261.09119	0.5
262.09863	0.3
263.10724	0.8
264.07846	0.3
265.05002	1.8
265.08655	2.5
266.05786	0.4
266.09305	0.4
267.07007	0.2
267.10196	1.2
269.08325	0.3
273.09146	0.9
275.07092	1.1
275.09958	0.2
276.07870	0.6
277.05060	0.1
277.08597	0.6
277.12216	0.4
278.05795	0.3
279.06754	0.8
279.10181	0.6
280.07285	0.4
280.10950	0.4
281.04419	0.4
281.07834	0.3
283.06100	0.3
289.08633	0.2
289.17688	0.2
290.09488	0.8
291.10077	1.7
292.07321	0.5
293.04501	1.8
293.08026	10.7
294.05179	0.6
294.08652	0.6
295.05966	0.5
295.10260	0.2
295.13242	1.2
296.06735	0.3
297.07587	0.4
300.07913	0.2
301.08572	1.0
303.06522	0.6
304.07339	0.6
305.08212	0.4
305.11566	0.3
307.06046	0.7
307.09686	1.0
308.06757	0.7
308.10480	0.9
309.07550	0.8
309.11255	0.9
317.08008	0.3
318.08893	2.8
319.09674	2.8
320.06833	0.3
320.10211	0.2
321.07590	20.3
322.08121	0.7
323.09326	0.3
323.12738	1.0
333.11185	4.5
333.20059	0.2
335.09109	2.1
336.09909	11.4
337.10324	0.3
351.12280	100.0
351.20770	2.4
352.12595	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11365	2.3
71.07092	2.6
71.07431	3.0
83.42365	2.3
97.90523	2.6
98.97608	3.1
101.00940	2.4
168.61191	2.4
171.05067	2.4
351.06903	61.2
351.12607	100.0
370.59036	2.4
371.10706	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	350.2693
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
50.33980	1.3
53.03940	3.1
54.62560	1.6
55.01875	1.9
55.05301	1.6
55.05517	18.2
56.05029	6.1
57.07069	5.6
58.02972	10.3
58.06597	3.7
60.04535	3.3
61.10516	1.6
67.04272	1.4
67.05510	31.7
67.12508	1.2
67.52902	1.3
68.05013	2.2
69.07076	19.5
70.06604	18.7
70.07432	5.0
71.08639	14.9
72.04523	2.1
72.08154	2.9
79.05500	37.0
80.05019	4.4
81.05773	2.1
81.07068	34.4
82.06590	18.5
83.04974	2.6
83.08628	7.8
84.04501	6.4
84.07690	2.5
84.08154	35.7
85.06559	2.7
86.06071	1.6
86.09743	1.8
88.11281	34.4
91.04956	2.5
91.05489	27.4
93.05774	1.5
93.07053	26.9
94.06577	36.7
95.04972	4.5
95.07352	3.0
95.08614	28.3
96.08148	14.5
97.06533	2.3
97.10170	5.2
105.07034	17.4
106.06552	5.7
107.04971	2.6
107.07380	1.8
107.08607	24.7
108.08147	8.0
109.06511	4.0
109.10178	11.7
110.09704	7.9
111.11761	1.4
112.07618	8.2
112.11241	1.9
114.09170	3.4
115.09458	1.3
117.07031	7.6
119.08614	13.3
120.08178	2.9
121.10155	11.5
122.09692	5.5
123.08094	2.6
123.11703	3.1
124.11253	18.7
125.09633	1.5
129.07037	3.4
131.08556	6.6
133.10132	7.8
134.09680	3.2
135.11700	8.0
136.11223	5.3
143.08629	2.1
145.10133	6.3
147.10582	1.3
147.11691	7.0
149.13257	2.9
152.10764	10.1
152.14336	2.1
154.12317	1.7
156.13826	3.3
157.10147	1.8
159.11716	3.1
161.13293	2.3
162.12752	2.3
163.11224	2.0
164.14375	5.9
170.15392	2.6
173.13278	2.9
180.13843	6.7
184.17105	1.3
185.13271	1.5
192.17604	1.4
206.15433	2.6
212.16484	26.9
212.20087	2.2
220.17058	6.9
225.16354	1.4
226.18134	1.7
232.17007	3.3
238.18033	5.3
240.16064	3.9
245.22685	1.6
252.19644	29.4
264.19589	2.3
278.21509	1.7
280.19098	3.7
291.23105	1.8
292.22772	21.4
300.19623	2.1
301.21790	2.4
303.23102	2.2
315.23053	1.8
318.24283	3.1
332.25980	12.2
350.26956	100.0
350.33911	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2329
Annotation	Acetylfawcettiine
Peak:m/z	Relative Intensity
53.03939	2.9
55.01870	6.3
55.05266	1.8
55.05519	31.6
56.05027	4.4
56.96552	3.6
57.03437	3.2
58.06608	1.7
58.78993	1.1
60.04525	3.4
61.02924	2.2
63.43728	1.1
64.85276	1.2
65.03942	1.5
67.05221	1.5
67.05513	18.0
69.03429	4.0
69.07074	12.6
70.06596	2.7
70.19054	2.9
71.04986	2.3
72.36343	1.2
79.05496	28.0
80.05009	3.4
81.03416	3.4
81.07063	36.2
82.06583	5.3
82.07373	2.0
83.04980	3.4
83.08633	16.9
85.06548	1.4
88.28267	1.3
91.04956	2.3
91.05489	27.8
91.06059	1.4
92.05813	2.7
93.07052	22.7
94.06565	4.1
95.04986	6.5
95.08614	13.2
96.04495	7.3
96.08168	1.7
97.02862	1.4
97.06537	2.8
97.10178	29.0
97.10774	2.3
100.07600	1.2
105.07025	19.0
106.06522	1.4
106.07346	1.1
107.04964	9.9
107.08600	14.9
108.08138	1.9
109.06499	3.3
109.10158	6.4
110.06049	3.3
110.09682	3.7
111.08043	2.1
117.07014	11.2
119.08590	23.5
120.08123	1.6
120.08912	1.6
121.06514	4.0
121.10151	13.1
122.09686	7.0
123.08067	2.0
124.07603	1.6
125.09644	17.5
129.06990	4.5
130.07828	1.4
131.08597	8.1
132.08095	3.2
133.03505	2.7
133.06482	1.4
133.10211	4.2
135.08049	5.8
135.11717	4.0
136.11247	2.6
137.09631	1.5
138.12791	16.0
143.01906	1.5
143.08571	4.6
145.06490	1.4
145.10130	13.9
147.08057	11.9
147.11723	2.1
149.02385	1.7
149.09616	1.6
149.13237	1.7
152.10715	12.6
155.08478	1.1
157.10152	4.7
159.08099	1.9
159.11713	5.5
161.09656	3.8
162.12814	4.6
163.11218	3.0
167.03375	2.5
168.03893	1.3
171.11942	4.6
175.11212	2.3
180.13814	9.0
181.12254	3.4
189.11223	6.5
199.11330	1.8
204.13821	2.0
205.12283	3.2
208.13373	13.6
222.14877	3.9
223.13292	17.9
226.14432	4.3
227.10713	2.1
228.11143	1.7
249.14928	1.6
250.14587	1.9
253.08636	2.9
255.17494	3.3
270.08368	1.4
272.20123	4.7
273.18494	23.4
273.21127	1.7
290.21155	23.0
291.19547	35.4
301.20206	3.4
308.22220	21.1
332.22235	15.2
350.11322	2.7
350.23349	100.0
351.15781	2.0
351.23651	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	350.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01863	0.8
55.05504	0.6
56.05024	1.0
56.96572	7.4
57.03441	1.7
58.06601	1.8
59.04996	0.4
61.02912	1.0
67.05515	1.2
69.03438	2.8
69.07064	0.5
69.76292	1.4
70.03779	0.2
70.06593	1.6
70.98116	0.9
71.01371	0.2
71.05006	2.1
71.95252	0.3
72.04520	0.3
72.08160	5.1
73.02910	0.9
74.97558	0.2
75.94444	0.2
79.05509	0.6
81.03441	1.4
81.07052	1.2
81.69703	0.2
82.03716	0.3
82.06590	0.4
83.01380	0.2
83.04977	0.7
83.08639	0.4
84.04520	0.3
84.08146	1.8
84.96037	1.5
85.02419	0.4
85.02911	5.3
85.06133	0.3
85.06554	2.4
85.08913	0.3
86.03240	0.3
86.06088	1.4
86.09744	0.3
87.04485	1.3
87.08170	0.3
91.03916	0.3
91.05502	0.3
93.07047	0.9
94.06545	0.3
95.04990	2.8
95.08633	0.3
96.08115	0.6
97.02357	0.3
97.02906	3.0
97.06523	0.6
97.96804	0.3
97.99147	0.2
98.09702	14.4
98.21467	0.4
98.97595	12.6
99.04443	0.9
99.97928	0.6
100.07620	0.4
100.99139	0.8
101.00912	0.5
102.05549	1.2
102.09187	5.1
104.10702	0.3
108.08179	0.3
109.02884	0.8
109.06528	1.8
110.09707	0.4
110.97576	2.7
111.04356	0.3
111.08099	0.8
112.07590	0.6
112.11279	0.6
112.99146	3.2
113.06016	4.2
114.09192	0.5
115.00687	0.4
115.03931	0.8
116.98624	4.1
119.01901	0.8
120.01976	0.3
121.06503	0.4
124.99142	0.6
125.05959	0.3
126.09170	0.7
127.00694	0.3
127.03915	1.1
128.07098	1.6
128.10699	0.8
128.98621	1.9
130.01808	0.3
131.00179	3.0
131.01854	0.4
133.03465	0.4
133.04929	0.6
134.99660	0.5
136.11140	0.2
137.06004	1.6
138.05507	0.3
140.00191	0.3
140.06963	0.2
140.10710	2.1
140.98610	0.3
143.00172	2.1
144.10211	0.3
144.98053	0.4
145.01729	1.0
145.04982	0.5
146.08130	0.8
146.99626	1.0
147.03259	0.5
147.05121	0.3
148.03889	0.3
149.01198	0.8
152.06989	0.3
152.98586	0.4
154.08635	0.3
155.07048	1.1
156.03462	0.3
156.06535	0.3
156.13834	1.1
156.98007	0.3
157.01675	0.7
157.03381	0.3
158.11781	15.5
158.99673	2.2
159.00960	0.3
161.01241	1.6
161.03096	0.3
163.02808	0.8
164.10686	0.3
165.00768	0.3
167.01260	0.3
167.07047	0.4
169.01752	0.4
169.04443	0.3
170.05061	0.3
170.99619	0.8
171.05026	0.6
173.01251	1.2
173.02831	0.4
174.04474	0.3
174.11322	2.9
174.99179	0.9
175.02773	0.7
175.11601	0.5
176.12823	0.8
177.00745	1.4
178.04910	0.9
179.02361	0.3
182.11803	2.1
182.99640	0.4
184.04988	0.3
187.02815	0.5
188.02328	0.8
188.09232	0.5
188.12857	1.2
189.00664	0.6
189.04462	0.3
189.06079	0.8
191.02313	0.7
193.00224	0.5
193.03874	0.8
197.02243	0.4
200.12823	6.0
201.00739	1.0
201.04378	0.4
201.06099	0.4
205.03882	0.7
206.02858	0.6
207.01692	0.3
212.02315	0.2
214.03989	0.4
215.02267	0.2
218.13901	34.7
219.01788	3.7
219.14291	0.4
220.02283	0.4
221.03258	0.5
223.04916	0.6
228.05531	0.5
230.03410	0.6
231.01736	0.4
231.07138	0.3
233.03325	0.6
235.04883	0.8
237.02870	3.2
238.03181	0.4
242.13904	0.6
245.05247	0.3
246.06601	0.5
247.05254	0.3
248.08116	0.4
251.04417	2.9
252.57483	0.4
253.06000	0.4
253.58189	0.6
258.06555	0.5
260.04507	0.3
260.07297	0.5
260.14920	2.9
261.02701	0.3
261.07980	0.4
268.15448	0.5
269.05463	5.8
269.08347	0.4
276.07629	0.6
286.16473	2.4
287.06448	0.8
290.08987	0.4
290.15897	0.3
291.07150	0.3
291.09570	0.4
295.09109	0.3
304.17566	17.7
308.06656	0.4
308.10104	0.6
309.08615	0.9
332.17126	2.2
337.08066	0.6
345.68268	0.3
350.18130	100.0
351.06314	1.2
351.12897	3.2
351.18463	1.6
368.12534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01889	0.7
55.05284	0.7
55.05518	5.1
57.07076	1.7
59.05009	0.6
61.15052	0.5
64.50521	0.5
67.05506	4.3
69.07072	9.6
69.84904	1.8
71.05006	0.9
79.05501	4.1
81.07061	8.4
83.04985	1.1
83.08636	3.4
85.06534	1.0
91.05479	3.0
93.07050	5.8
95.04951	0.5
95.08047	0.6
95.08616	7.9
97.06528	1.8
97.10176	0.7
99.08070	0.6
105.07044	3.2
107.08611	4.2
109.06517	10.9
109.10157	3.9
111.08097	2.0
119.08589	4.0
121.06573	0.5
121.10151	3.0
122.07259	1.1
123.08076	61.6
123.11710	1.6
125.09647	0.7
133.10104	2.8
135.08061	5.1
135.11716	1.9
137.09651	3.5
145.10127	1.3
147.11707	2.1
149.09622	1.2
149.13252	1.3
159.11714	1.4
161.13303	1.3
163.11195	1.0
165.12738	0.7
167.14333	0.9
177.12759	0.8
179.14320	25.2
200.02457	0.4
227.11015	0.5
231.15913	0.5
233.19040	0.8
251.06985	0.6
263.06610	0.5
275.20053	2.3
289.25345	1.2
293.21133	15.6
303.26849	0.7
307.22696	0.8
331.26361	4.1
349.27386	100.0
350.27628	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	350.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
55.01881	1.0
55.25338	0.6
56.05037	3.3
56.80743	0.5
58.06601	1.1
64.66338	0.7
67.05502	0.8
69.03435	2.8
69.07072	1.1
69.40489	4.6
70.06571	1.0
72.08152	2.5
74.06079	2.5
81.03435	1.0
83.04983	1.0
84.04529	0.8
85.02913	5.1
86.09708	1.0
87.00852	1.4
89.03877	2.9
97.02882	1.4
99.04464	0.7
102.05546	56.1
102.09180	2.4
105.01833	1.1
105.07063	0.7
109.02946	0.8
109.10142	0.7
112.11256	0.8
113.06004	0.7
117.02602	1.2
117.03381	13.1
117.35442	0.6
127.03917	1.9
128.07123	0.7
128.10704	2.2
135.08093	0.8
145.02852	39.6
149.05984	4.3
156.10197	1.7
160.65813	0.6
174.11267	6.2
177.05478	100.0
178.05852	0.9
186.05591	0.8
200.11581	0.8
204.10971	0.8
207.13766	1.6
211.13353	1.0
228.11052	0.7
245.33815	0.7
246.12099	2.2
253.32300	0.7
304.15439	3.8
322.16724	0.7
350.07205	2.1
350.15945	28.1
351.17810	1.1
363.58710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05515	5.7
57.03431	1.1
57.07076	1.5
65.27489	0.7
65.96619	0.6
67.05504	6.6
68.40286	0.6
69.06711	1.0
69.07067	12.0
71.04990	1.7
71.08622	1.2
71.29350	1.3
78.92542	0.6
79.05502	5.0
81.07064	8.2
82.67350	0.6
82.83212	0.7
83.08629	5.0
85.06563	0.6
91.05475	3.1
93.07043	6.9
95.04995	1.0
95.08620	8.3
97.06525	1.8
97.10143	0.7
98.21163	0.7
105.07047	4.1
107.08591	6.0
109.06533	10.4
109.10151	4.6
111.08089	2.2
119.08600	4.5
121.10155	3.8
123.08075	67.6
123.11651	1.7
128.75462	0.7
131.08551	1.9
133.10127	2.6
135.08038	5.2
135.11696	2.4
137.09660	3.6
137.13281	1.0
145.10115	1.8
147.11679	2.5
148.51761	0.7
149.09650	1.6
149.13251	2.3
151.14816	0.6
159.11684	1.1
161.13237	1.5
165.12779	0.9
167.14310	0.8
171.11736	0.6
173.13327	1.1
177.12790	0.9
179.14322	8.1
198.38374	0.7
225.09215	0.7
231.15941	1.0
233.19029	0.8
275.20145	1.5
289.25171	0.8
291.06479	0.8
293.21112	18.1
321.11182	1.0
331.26321	4.5
349.10712	6.2
349.27396	100.0
350.27762	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.59047	0.4
51.65099	0.4
55.05517	2.2
57.07079	5.1
58.83380	0.4
67.05505	3.1
68.45080	0.4
69.07061	2.1
69.22880	1.3
69.23299	3.1
71.04984	0.7
71.08634	3.0
77.77008	0.4
79.05503	3.0
81.07064	7.2
83.04947	0.6
83.08594	0.7
85.06551	2.4
91.05489	2.3
93.07031	2.7
95.05036	0.5
95.08605	5.7
97.06505	0.4
97.10165	0.9
99.08080	1.6
104.14050	0.3
105.07021	1.9
107.08607	2.7
109.06525	18.6
109.10195	2.1
111.08054	0.9
119.08571	2.3
121.06526	0.5
121.10145	1.6
122.07292	1.9
123.08076	24.7
123.11724	0.9
127.57682	0.4
131.08612	0.7
133.10156	1.4
135.08046	4.3
135.11725	0.7
137.13274	0.6
147.11673	1.0
149.09630	0.5
159.11754	0.5
163.14830	0.5
165.12801	0.7
167.14297	0.6
173.13264	0.5
178.35304	0.4
179.14317	100.0
180.14626	1.0
192.15065	0.4
193.15884	2.1
242.20850	0.4
251.07042	0.7
289.25189	0.8
291.06491	0.4
312.49603	0.5
331.26361	2.5
333.41269	0.5
349.10861	1.2
349.27390	71.5
350.27731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90773	1.9
53.03937	8.7
55.01873	11.6
55.05516	47.2
56.96561	3.3
57.03441	16.9
57.07061	3.5
65.03936	5.6
67.05171	3.0
67.05511	56.0
69.03422	5.0
69.07081	21.1
71.04988	4.7
71.08758	5.1
71.09116	3.0
76.28233	2.9
79.05498	100.0
79.05960	4.9
79.82866	2.0
81.03440	5.4
81.07063	53.4
83.04993	33.3
83.08621	14.2
85.06548	4.0
86.48349	2.2
88.60849	2.4
91.05489	62.1
93.07053	66.0
94.29305	2.0
95.04969	10.4
95.08609	25.8
97.06495	5.9
97.10166	16.1
99.57954	2.1
103.05475	2.7
105.06378	3.6
105.07033	43.2
107.04965	29.3
107.08601	64.6
109.06494	7.0
109.10152	30.7
111.08075	3.3
117.07039	15.9
119.08598	33.8
121.06462	5.0
121.10163	26.8
123.08086	6.5
123.11682	7.8
125.09670	12.2
129.07025	4.1
131.04985	3.1
131.08578	18.0
133.10133	20.8
135.08035	7.1
135.11676	8.2
137.09572	3.4
141.06969	3.4
142.07880	2.7
143.08563	3.8
145.10146	16.1
146.32396	2.4
147.11707	18.6
149.09627	53.3
149.13239	3.2
153.09094	2.3
155.08618	2.0
157.10196	5.4
159.11685	9.1
161.13278	4.8
162.97275	2.4
163.11171	4.6
163.14857	3.7
169.10069	2.8
169.12251	2.6
171.11728	4.2
173.11833	4.2
173.13269	7.7
179.14290	7.1
183.11652	2.5
187.11221	3.2
187.14760	2.9
189.11230	10.2
197.13326	2.6
209.15331	5.2
211.14828	3.2
221.03015	4.1
225.09306	2.4
227.06993	3.7
227.10713	13.5
229.19447	4.5
239.17995	2.8
247.20549	3.7
251.07069	2.5
257.19022	8.4
269.08112	2.4
275.17215	3.9
275.20102	38.4
319.06085	2.3
321.11108	2.9
349.10675	17.1
349.14490	18.9
349.19724	8.5
349.23706	35.8
349.27466	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.1
53.03954	8.8
55.01873	10.5
55.05269	2.5
55.05516	48.5
56.96557	5.2
57.03445	14.2
57.07075	2.0
65.03925	3.0
67.05173	3.2
67.05511	53.6
69.03436	3.9
69.07073	18.3
71.04991	4.7
71.55978	1.8
73.02914	1.7
79.05496	100.0
81.03418	4.4
81.07063	48.1
83.04985	26.1
83.08615	13.1
85.06538	2.8
87.04499	1.9
91.05487	59.8
93.07052	59.1
95.04976	11.9
95.08607	23.9
97.06516	6.2
97.10178	12.5
103.05423	2.9
105.07036	44.6
107.04283	2.2
107.04970	28.8
107.08601	67.3
109.06511	7.8
109.10161	26.4
111.08070	6.1
117.07024	15.2
117.82725	1.6
119.08591	34.0
121.06502	5.4
121.10135	23.9
123.08076	6.7
123.11709	7.0
125.09641	17.2
129.07010	4.6
131.04944	3.1
131.08580	17.4
133.06497	3.1
133.10136	23.2
135.08047	7.4
135.11656	7.9
137.09566	2.8
141.06993	2.6
143.08603	2.9
145.10129	11.7
147.08022	3.4
147.11688	17.7
149.09630	48.6
153.09154	2.7
155.10626	1.8
157.10107	3.4
159.11713	9.0
161.06085	1.7
161.13245	6.2
163.11200	3.1
163.14857	5.3
165.01834	2.3
167.03505	2.5
169.10150	1.6
169.12199	2.8
171.11700	2.2
173.09573	2.0
173.11786	4.7
173.13292	7.9
177.12709	2.4
179.14296	5.9
181.15849	2.5
183.02945	1.6
183.11815	3.0
187.03972	2.4
187.11067	1.7
187.13350	1.6
187.14844	2.4
189.11243	5.1
191.14323	4.8
195.11679	2.0
197.13242	1.5
201.05476	1.8
201.12872	1.4
205.05006	1.8
205.23280	1.9
209.15421	6.9
221.02902	2.4
225.09178	3.6
227.07080	4.1
227.10704	13.7
229.19547	4.0
231.53787	1.9
235.95790	1.7
239.17992	3.0
247.20486	3.0
251.07088	3.9
257.18964	8.9
269.08167	2.3
275.17261	2.6
275.20087	34.4
279.10281	1.9
291.06375	2.6
319.09708	2.2
320.73740	1.7
321.11075	2.5
331.26706	2.0
349.10669	14.6
349.14325	15.0
349.19583	4.5
349.23721	26.0
349.27411	9.6
349.34091	2.0
352.09482	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01869	2.9
55.05514	11.0
57.03447	15.8
65.03924	2.5
67.05508	26.2
67.06046	1.4
69.03422	3.3
69.07067	10.2
69.86319	5.1
69.86747	2.7
71.04990	2.8
75.04517	1.4
75.45259	1.3
79.05504	23.7
81.07066	27.3
83.04974	2.6
83.08619	5.9
85.06530	4.1
91.05491	45.7
93.07049	27.2
94.74690	1.5
95.04977	4.0
95.08609	22.8
97.06517	4.3
97.10168	2.3
99.08072	2.6
103.05434	2.0
105.07037	42.5
107.08604	18.3
109.06536	4.4
109.10146	9.2
111.08076	2.6
113.09686	1.9
115.05494	2.3
117.07030	27.9
119.08588	37.3
121.06547	2.9
121.10156	12.3
123.08060	2.9
123.11675	1.9
129.07021	7.4
130.07736	2.2
131.08578	32.8
133.10144	23.6
135.08034	2.6
135.11690	4.7
141.06969	2.9
143.08557	9.7
145.06494	1.4
145.10136	45.1
145.11282	3.1
147.08049	1.6
147.11691	19.6
149.09613	5.4
149.13290	2.6
155.08534	3.1
157.10156	16.8
159.11696	42.9
161.09615	4.1
161.13283	12.8
163.11148	4.0
165.12730	1.3
165.53406	1.7
169.10135	5.2
171.11652	6.7
173.13245	14.0
175.14873	3.4
177.12749	2.4
183.11682	6.5
185.13255	10.7
194.13306	1.4
197.13231	5.1
199.14841	2.2
201.16367	2.1
203.14310	3.1
211.14787	2.2
213.16374	2.3
215.14407	2.2
215.18057	1.7
219.17467	8.3
221.15401	1.6
225.08981	2.0
229.19478	7.6
239.17970	17.3
247.20741	1.7
257.19037	37.9
269.12106	2.2
275.20102	23.2
331.22647	3.1
349.19791	100.0
349.23788	62.5
350.20181	3.7
350.24286	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.6
55.01864	4.7
55.05513	34.1
56.96574	2.9
57.03231	2.4
57.03444	29.2
60.82377	2.5
61.80641	2.8
65.03942	3.0
67.05511	60.9
69.03440	2.7
69.07070	23.0
71.04987	5.9
71.56239	4.6
79.05501	62.6
81.07058	52.7
83.05018	5.8
83.08635	15.1
85.06543	9.7
91.04970	4.3
91.05492	71.9
93.07050	59.8
95.04952	10.2
95.08605	39.3
97.06540	8.0
97.10164	4.5
103.05482	4.5
105.04580	3.4
105.07031	92.1
107.04955	6.9
107.08601	45.6
109.06512	10.6
109.10163	10.4
111.08126	3.5
115.05434	3.5
117.07030	42.6
119.08593	65.2
121.06487	3.8
121.10163	20.5
121.54428	2.8
123.08148	5.4
128.06189	5.4
129.07045	15.5
130.07744	3.9
131.08572	48.0
133.10138	39.4
135.11694	10.9
141.06984	5.6
142.07813	4.0
143.08549	18.1
145.10132	77.1
147.11705	42.2
149.09634	12.8
149.13275	6.4
151.11168	3.5
155.08600	5.2
157.10155	20.5
159.11705	72.7
161.09644	7.3
161.13310	18.5
163.11168	7.7
169.10139	12.1
171.11702	10.9
173.13278	23.1
175.14824	5.9
183.11766	11.3
185.13271	17.8
187.14912	4.8
197.13298	5.0
199.14673	3.6
201.16371	3.5
203.14297	10.3
211.14806	3.2
213.16351	3.3
215.14352	3.9
215.17938	3.1
219.17464	23.0
229.19478	5.8
239.17912	27.1
247.20677	4.2
257.19009	65.6
275.20068	52.7
331.22552	3.2
349.10638	24.0
349.14438	6.8
349.20294	3.9
349.23764	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	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.3
55.01876	6.0
55.05515	25.1
56.96581	3.6
57.03441	40.0
67.05513	44.4
69.03423	3.0
69.07069	19.4
71.04998	4.5
71.47812	3.5
79.05502	52.1
81.03409	5.3
81.07063	56.9
82.81548	1.9
83.04989	6.1
83.08620	12.8
85.06544	7.3
91.05487	68.1
93.07050	56.6
94.44732	2.5
95.04979	10.9
95.08619	40.6
96.31415	1.9
97.06534	7.9
97.10169	3.5
99.08097	4.7
103.05492	2.3
105.04501	2.6
105.07037	82.6
105.64430	2.2
107.04945	3.6
107.08609	32.3
109.06519	8.9
109.10165	14.5
111.08084	4.3
115.05479	3.4
117.07022	36.5
119.08588	71.3
121.06503	7.2
121.10165	20.7
123.08043	5.4
127.07548	2.5
128.06242	5.1
129.05531	2.8
129.07021	17.8
130.07793	2.5
131.08583	46.7
133.10144	38.8
135.08086	6.9
135.11693	11.1
137.09610	4.2
141.07030	5.8
141.80782	2.1
142.07750	2.4
143.08565	15.4
145.10133	56.8
147.08061	3.2
147.11707	35.4
149.09633	12.9
149.13339	4.4
151.11160	4.1
155.08563	6.2
157.10135	22.8
159.11702	52.6
161.09660	5.9
161.13269	20.8
163.11227	6.6
169.10144	9.7
171.11731	12.8
173.13293	18.9
175.11267	4.8
175.14841	7.8
177.09082	4.2
177.12759	3.8
183.11723	9.8
185.13254	22.9
187.11215	3.1
187.14871	2.9
191.14299	2.6
197.13303	6.9
201.09077	3.3
201.16353	4.5
203.14325	11.3
211.14885	3.7
213.16306	2.7
215.18118	2.8
219.17468	18.7
221.15361	2.5
225.09267	2.3
229.15965	2.0
229.19482	6.0
239.17966	29.0
243.35600	2.0
257.16275	3.0
257.19012	53.4
267.09140	3.5
275.20078	38.5
277.18124	4.4
285.10321	2.6
317.11630	2.4
331.22766	5.8
339.00635	2.3
349.10687	3.0
349.19916	26.5
349.23785	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	349.2165
Annotation	2(S)-7-Hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
50.93956	0.4
51.18113	0.4
51.34673	0.4
51.55799	0.4
55.01872	0.8
55.05516	2.1
56.96580	0.7
57.07075	1.9
65.03937	1.5
67.05502	3.2
69.07076	7.6
71.57921	0.7
72.85951	0.4
79.05499	3.8
81.07059	7.8
81.88792	0.4
83.04966	0.6
83.08610	0.9
91.05486	100.0
92.05812	0.8
93.07053	8.9
93.69074	0.4
95.04977	0.8
95.08614	2.9
97.06528	0.7
105.07039	10.1
107.04950	1.0
107.08603	8.9
109.06523	1.8
109.10172	2.6
111.11709	3.2
117.07027	0.8
119.08591	1.5
121.10152	1.6
123.04459	1.0
123.08098	4.4
123.11711	19.4
127.79290	0.5
128.06226	0.5
129.07028	0.5
133.10149	1.4
135.04417	0.5
135.08109	0.4
135.11694	11.9
141.06999	0.8
143.08562	1.5
145.10124	0.7
147.11673	0.5
149.05980	1.0
157.10139	0.8
161.06017	0.6
161.13315	0.5
165.07028	0.6
167.03423	0.6
167.08543	1.1
174.06787	0.7
174.86620	0.4
179.08611	0.5
179.14334	6.2
181.10123	1.9
185.09612	1.7
195.08060	0.5
197.06007	1.0
199.11295	0.7
209.09737	0.9
211.11174	1.5
215.10698	0.7
221.24292	0.5
223.07614	0.9
225.09123	1.7
227.10678	71.4
228.11061	0.7
237.09242	0.5
239.10674	1.7
241.08304	0.5
251.07065	5.4
251.09737	0.6
251.10573	0.5
253.08563	1.6
253.12228	0.7
257.15479	0.6
265.12122	1.0
267.14105	0.7
271.16757	0.5
279.13458	0.5
293.15186	1.1
293.21188	1.3
303.10034	0.5
319.05899	0.8
331.13300	1.2
331.20541	0.9
331.26410	0.7
349.10599	3.3
349.14713	3.4
349.17999	0.4
349.21622	11.2
349.27393	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	349.2164
Annotation	2(S)-7-Hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
53.03941	0.5
55.01859	0.8
55.05502	1.8
56.96565	1.3
57.07085	0.6
65.03931	1.4
67.05502	3.4
67.29635	0.4
69.07066	3.5
69.78754	2.7
70.06589	1.2
71.06927	0.5
73.09463	0.4
79.05493	2.2
81.07063	9.5
83.08614	1.2
88.07658	0.5
91.05484	100.0
92.05833	0.6
93.07046	4.2
95.08601	1.7
97.02864	0.6
97.10175	1.0
98.20794	0.7
103.05457	0.8
105.03358	0.5
105.07035	13.0
107.08602	3.1
109.06507	0.5
109.10152	4.0
115.05505	0.5
117.07014	0.7
119.08620	1.2
121.10132	0.7
123.04434	1.3
123.08082	1.3
123.11703	8.4
124.35158	0.4
129.07013	0.8
131.04922	0.8
131.08562	0.5
133.10161	0.8
135.11687	3.1
141.07013	0.7
143.08614	0.8
145.10086	0.9
149.06079	0.8
155.08575	0.5
160.05226	1.0
161.05994	1.3
165.15314	0.5
166.96338	0.4
174.06773	0.7
174.82069	0.5
179.08600	0.5
179.14331	1.7
181.10132	1.4
182.72105	0.5
185.09644	1.3
191.77635	0.5
199.11179	1.0
205.10027	0.5
209.09705	0.9
215.10617	0.7
227.10677	59.7
228.11050	1.1
239.10658	2.9
241.12248	1.1
251.07024	0.6
251.10744	5.5
253.08716	0.6
265.12305	1.6
267.09854	0.5
267.13913	2.2
275.25797	0.5
279.13794	0.6
281.15369	0.9
285.29886	1.1
286.30371	0.6
287.30441	1.2
293.15378	3.6
321.06866	0.5
331.09717	0.6
331.13559	0.8
343.86295	0.5
348.33951	0.7
349.10730	3.0
349.14621	1.0
349.21393	7.1
349.27487	1.6
349.34024	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2166
Annotation	2(S)-7-Hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
53.03928	0.4
55.01867	1.1
55.05508	1.6
56.38099	0.3
56.96560	1.2
57.03424	0.3
57.07069	0.7
59.04994	0.7
65.03941	0.5
67.05510	1.7
69.03432	1.2
69.07070	3.9
71.08624	0.5
71.46592	0.4
71.46952	0.5
76.26196	0.3
79.05489	1.5
81.07069	4.2
83.01340	0.4
83.08644	0.4
91.05490	22.2
93.07046	2.6
95.01337	0.4
95.04975	0.7
95.08629	2.5
97.02892	1.1
103.05491	0.5
105.03426	0.4
105.07040	5.6
107.04880	0.4
107.08604	2.6
109.02901	0.4
109.06502	1.3
109.10194	1.8
109.10854	0.4
111.11704	1.0
112.38143	0.3
115.05451	0.7
117.07016	1.5
119.04980	0.8
119.08590	0.7
121.02894	2.0
121.06541	0.7
121.10130	0.8
123.08083	2.9
123.11722	1.9
128.06253	0.6
129.07004	1.1
131.04971	0.8
131.08490	0.5
133.10158	0.7
134.03633	0.8
135.04442	0.5
135.11713	2.0
141.07019	4.0
141.83968	0.3
143.08588	1.2
145.10123	0.7
147.04410	1.0
147.11649	0.7
151.03914	1.2
152.06210	0.5
153.07008	1.3
154.07808	1.3
155.08554	0.9
157.10146	0.4
161.05922	0.5
165.01845	2.3
165.07030	1.3
166.07799	0.7
167.07227	0.4
167.08493	1.8
169.10115	1.0
174.06808	1.5
175.07671	0.4
177.07013	0.5
178.07779	4.2
179.08577	9.2
179.14320	4.4
181.06491	1.0
181.10184	0.4
182.07291	2.4
183.02901	1.5
183.08028	0.6
193.15820	0.4
195.08040	0.9
197.05983	1.5
197.09691	1.2
207.08116	2.4
210.06795	0.6
223.07567	1.4
225.09122	100.0
226.09460	1.4
227.10675	13.9
235.07538	1.1
239.10732	0.9
241.12123	0.4
251.07095	7.7
251.10687	1.5
253.08592	1.7
253.12357	0.5
262.78970	0.4
265.12259	2.7
267.13885	0.6
269.08133	2.5
279.13846	0.6
288.05423	1.5
291.06445	0.7
293.15363	1.2
297.05972	1.1
307.16898	0.5
308.57098	0.7
317.07205	0.5
319.05911	0.8
321.11319	0.5
331.04947	0.4
331.13391	1.9
331.20566	0.4
331.26328	0.7
334.08148	0.4
349.10657	4.0
349.14441	3.6
349.21622	7.2
349.27374	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	349.1985
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
55.01859	1.4
55.05501	1.7
57.03437	1.2
62.42886	0.8
67.05499	3.0
69.07067	1.5
69.21346	8.5
79.05477	4.6
81.07059	3.9
83.08608	1.3
87.94612	0.8
91.05486	5.3
93.07045	2.6
95.08614	2.5
97.06550	1.4
105.07040	6.2
107.04946	0.9
107.08590	2.6
107.70016	0.7
109.06527	1.9
109.10148	1.6
111.72889	0.7
117.07016	1.2
119.08578	3.3
121.10110	1.1
131.08565	3.0
133.10121	3.3
136.45282	0.9
145.10132	4.2
147.11688	2.4
149.09622	1.6
157.10098	1.0
159.11740	3.0
175.10988	0.7
239.18008	0.9
257.19012	2.0
275.20074	3.2
303.06442	1.3
331.18692	1.0
349.10901	6.0
349.19879	100.0
349.23709	6.8
350.20264	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
69.03418	1.1
69.07060	1.7
69.55849	1.9
81.07055	1.8
83.01337	1.0
91.05486	5.9
93.07021	0.4
95.08605	0.8
97.02880	0.8
101.20675	0.3
103.05492	0.7
105.03382	0.4
105.07034	0.9
107.04969	0.3
107.08607	0.4
109.02863	0.5
109.06638	0.3
111.11723	0.5
115.05492	0.4
117.07034	0.8
121.02891	2.0
121.10114	0.3
125.13378	0.3
128.06181	0.6
129.06998	1.0
134.03607	0.8
135.04396	0.3
141.07007	4.3
143.08585	0.3
147.04449	0.9
153.07007	0.7
154.07782	1.7
155.08574	1.1
165.06993	0.9
166.07744	0.4
167.08554	0.5
169.10167	0.9
178.07770	4.5
179.08575	10.4
179.14305	0.7
181.06519	0.9
182.07298	2.3
183.08009	0.6
186.12720	0.3
195.07991	0.3
197.09636	1.2
207.08051	2.0
210.06900	0.3
225.09113	100.0
226.09512	1.6
227.10707	0.5
231.73775	0.3
234.38582	0.3
239.10637	0.8
239.72038	0.4
251.07149	0.6
293.06851	0.4
349.10541	0.5
349.14374	0.9
349.21664	3.0
349.27481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63072	0.7
53.03933	1.0
55.01859	0.8
55.05511	1.7
56.27003	0.5
56.96558	2.0
57.03433	1.9
65.03916	0.9
67.05512	3.7
69.03422	0.8
69.07055	0.9
69.81352	1.8
69.81764	1.4
70.07352	0.7
77.00874	0.6
79.05487	5.0
81.03455	0.6
81.07072	3.7
83.04964	0.8
83.08605	0.8
85.06562	0.9
91.05489	6.3
93.07039	4.0
95.04974	1.4
95.08613	2.4
97.06542	0.6
98.21388	1.1
98.97567	0.8
105.07048	5.5
107.04958	1.1
107.08593	4.5
109.06548	0.8
109.10172	1.4
117.07026	1.4
119.08595	3.4
121.10162	1.4
123.04478	1.2
124.04798	0.7
131.08571	2.7
133.10135	2.7
135.11734	1.1
137.05760	4.7
141.95999	0.6
143.08650	0.9
145.10146	4.5
147.11711	2.2
149.09674	0.6
151.03906	2.7
152.04265	1.8
153.04361	0.9
157.10110	0.9
159.11732	1.7
163.11255	0.6
171.11769	0.9
173.13339	1.1
175.07504	0.5
183.11725	0.9
183.98842	0.6
189.11095	0.6
197.13275	0.9
215.11310	0.6
221.11548	1.1
225.09138	0.6
227.10789	0.8
235.13054	1.8
239.18001	0.7
253.12790	1.1
257.19040	2.5
271.13953	1.7
275.20053	2.9
275.41791	0.6
287.27719	0.7
331.15625	1.3
331.19122	0.8
331.22818	0.8
349.10928	3.8
349.19891	100.0
349.23618	5.6
350.20114	1.4
354.16595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91647	0.5
55.05511	0.8
56.96566	1.0
67.05492	1.7
67.05840	0.5
67.21809	0.5
69.07044	1.1
70.59173	1.0
70.59538	1.1
72.51547	0.5
73.34784	0.5
78.28553	0.5
79.05480	2.1
81.07078	2.6
82.71505	0.5
90.03892	0.5
91.05490	3.4
93.07038	1.4
95.04985	0.9
95.08608	1.4
97.06509	0.8
98.97587	0.6
105.07015	2.8
107.08596	0.8
109.10123	1.0
112.07604	0.6
119.08614	1.2
131.08611	1.1
135.11661	0.8
137.05759	1.7
143.08606	0.7
145.10133	1.2
147.11687	0.9
157.10173	0.6
159.11693	1.4
179.82678	0.5
221.11551	1.4
253.12906	1.4
257.19040	1.0
275.20084	1.4
280.13007	0.6
349.11081	3.8
349.19882	100.0
350.20261	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1395
Annotation	Achillamide
Peak:m/z	Relative Intensity
55.01874	1.6
57.73700	0.6
57.76146	0.5
69.70738	2.8
70.06577	0.8
81.07047	0.7
91.05519	1.0
107.04967	0.6
107.08592	0.6
110.06040	0.5
120.08099	0.7
122.06012	1.3
124.03915	0.6
124.07631	0.7
131.22641	0.5
135.08067	0.7
140.06989	0.5
152.65379	0.5
162.05531	0.9
172.07626	0.5
173.10867	0.7
174.09152	0.8
175.08685	3.1
177.06573	0.9
178.08667	5.1
178.89456	0.6
185.07083	0.6
186.09258	0.8
187.08672	1.0
194.08098	0.7
196.10007	1.1
197.10796	0.9
199.08646	3.2
201.10320	1.2
211.08644	1.3
211.12321	1.7
213.10266	1.1
215.08258	3.6
215.11855	2.8
217.09763	10.7
217.13185	0.6
225.10258	2.0
226.08717	0.7
229.09734	2.0
231.11267	2.5
233.09145	0.6
239.08154	1.2
239.11826	4.6
240.10229	1.2
241.09654	0.9
242.10460	0.5
243.07626	1.1
243.11336	7.9
245.12866	1.1
253.09717	1.2
256.09766	1.1
257.09238	3.3
257.12778	2.9
259.10831	1.5
261.12338	1.2
267.11325	6.1
271.10803	7.6
273.12381	6.0
275.10544	1.0
275.14093	0.6
285.12344	7.0
289.11945	2.0
295.10815	7.0
301.11823	1.3
303.13370	5.0
307.12891	0.7
313.11844	12.7
319.09344	1.0
319.12924	14.3
321.14462	1.5
329.26422	0.6
331.12881	20.5
349.13956	100.0
350.14310	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	349.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
55.05495	0.4
56.65176	0.2
58.05400	0.2
60.04517	0.5
67.05507	0.7
69.03407	0.7
69.07048	0.7
70.06583	0.3
71.04994	0.5
71.46809	0.4
79.05487	0.8
81.07051	0.7
83.04978	1.0
85.02892	0.7
87.04453	0.3
91.05472	0.8
93.01694	0.3
93.07022	0.7
95.04958	0.7
95.08607	0.6
97.02886	0.3
97.06535	0.2
99.04504	0.3
101.05960	0.3
105.07036	0.5
107.08608	0.6
109.06488	0.3
109.10156	0.6
110.06042	0.3
111.08067	0.4
113.06033	0.5
114.03195	0.3
119.04955	0.3
119.08604	0.5
121.02867	0.7
121.06523	0.3
121.10183	0.2
123.04411	0.4
125.06020	0.4
127.03968	0.4
129.05493	4.8
130.04179	0.3
131.08556	0.4
133.06500	0.3
135.04405	0.3
135.11707	0.3
138.09201	0.3
139.03889	1.2
139.07536	0.8
141.05431	0.4
145.06483	0.3
145.10149	0.3
147.04416	11.6
147.08031	0.3
148.05180	0.8
149.09694	0.3
151.07579	0.2
153.05466	0.4
156.10248	0.4
157.04971	7.9
157.10136	0.3
159.04427	0.3
159.11693	0.3
162.03131	0.6
163.03891	0.4
165.05565	0.3
167.07040	3.7
175.03935	1.6
175.07562	0.3
176.04688	5.6
177.05484	0.5
178.06215	0.3
179.07063	0.5
185.05930	0.3
189.41083	0.2
191.07036	100.0
192.07449	1.1
193.08630	0.5
201.05527	0.3
201.09065	0.3
202.06265	0.3
204.07895	0.5
204.10185	0.3
211.07516	0.4
213.05472	0.3
215.10579	0.3
217.08601	1.9
221.00871	0.2
227.07147	0.3
228.08159	0.2
229.04840	0.3
229.08578	0.4
230.05818	1.1
243.10149	0.3
245.08052	2.6
255.06566	0.3
257.07968	0.6
269.08075	0.8
271.09653	0.8
272.06781	0.3
272.10245	0.3
273.07541	1.1
287.09317	0.7
288.09839	0.6
298.41144	0.3
299.09149	1.2
301.07065	0.8
315.08829	0.5
316.09433	8.0
317.10126	0.6
331.07962	0.5
331.11758	7.5
349.12997	7.5
349.19968	1.0
357.87564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01870	2.9
55.05541	1.2
57.03436	1.6
67.05497	3.5
69.07059	3.8
69.51850	1.8
69.52270	3.5
71.04989	1.3
79.05500	9.4
81.03411	1.8
81.07066	4.9
83.04982	1.3
91.05502	5.1
93.07053	2.8
95.04975	3.0
95.08610	2.0
97.06528	1.6
98.97609	1.6
99.04449	1.0
103.05483	2.2
105.03384	2.0
105.07024	5.2
107.04974	4.7
107.08583	1.6
109.02879	1.6
109.06532	3.0
109.10150	2.2
113.05994	0.8
117.07048	1.3
118.04172	3.9
119.04952	2.7
119.08614	2.8
121.10118	1.0
123.08094	0.9
125.06016	2.8
126.03117	2.1
127.03912	1.9
127.07595	2.2
129.05493	7.5
129.07002	0.9
131.04948	2.5
131.08589	1.7
133.02866	4.2
133.06505	75.4
133.10120	1.4
135.03432	0.5
135.04431	14.7
135.07970	0.8
137.05971	6.9
138.03136	8.0
141.05473	11.7
141.09138	1.2
143.08601	1.1
145.10185	1.6
147.04436	2.5
147.11720	1.4
151.07578	1.9
152.04726	1.5
153.05479	100.0
155.07057	4.5
157.05000	11.6
159.08069	1.2
159.11754	1.6
160.05205	1.9
161.05994	60.6
162.03058	0.9
163.03937	2.6
165.05490	82.4
169.08588	2.5
169.09995	0.8
179.03368	0.7
179.07057	5.3
189.05484	7.5
191.07050	27.9
195.06598	4.8
197.08104	51.2
203.07091	1.4
205.04988	1.5
218.12149	0.9
237.08568	0.9
241.08688	0.8
257.18951	2.0
271.09741	1.4
275.20175	2.3
299.09152	1.9
313.10397	1.0
331.11807	3.9
349.13263	8.6
349.19647	4.5
349.23865	1.4
350.13168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.0
71.04982	0.7
75.20709	0.6
76.03017	0.7
78.56606	0.7
79.05482	1.1
83.74924	0.7
94.48086	0.7
100.31489	0.6
105.07009	1.1
110.73239	0.7
136.06142	1.6
185.04221	2.5
191.07082	1.4
308.08575	1.1
314.43570	0.8
349.12592	100.0
350.12900	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92267	0.5
52.92164	0.6
53.03945	1.3
55.01870	0.9
55.05501	0.9
56.05037	0.5
59.05028	0.6
60.04536	4.5
61.71550	0.4
65.03937	0.6
67.05486	1.0
68.99786	0.7
69.03416	1.5
69.07040	0.7
70.10085	0.5
71.04992	0.9
71.58141	0.8
71.58526	0.8
73.06548	1.2
77.03973	0.6
79.05492	2.5
81.03420	2.4
81.07049	1.7
82.54604	0.5
83.04941	0.7
87.04470	1.2
91.05476	1.1
93.07059	0.8
95.04969	0.9
95.08582	0.9
95.87116	0.6
97.02878	1.6
99.04481	1.5
100.11275	0.6
101.06007	0.8
105.03393	0.9
105.07030	0.7
107.04975	0.6
109.02878	1.6
111.04414	0.7
113.06010	5.2
114.03133	1.5
115.05504	0.6
119.08517	0.9
121.02879	1.3
121.06499	0.7
121.10222	1.0
121.98469	0.5
125.05982	1.0
127.03919	0.8
129.05486	24.2
129.06976	1.1
131.08655	0.6
133.02853	4.2
133.10239	0.6
135.04414	2.0
137.02377	0.8
139.03874	0.8
141.05473	6.1
143.03391	2.0
145.06410	0.8
147.04469	0.7
149.09688	0.6
151.03883	6.7
153.05457	1.5
157.04970	51.4
158.05676	1.0
163.03877	1.9
167.04938	0.6
169.04970	0.7
175.03931	2.3
181.04965	2.1
185.05936	1.3
185.94434	0.5
188.04662	0.9
189.01811	1.8
191.03400	100.0
192.03854	1.3
201.05484	1.2
203.03365	1.1
213.05528	1.3
214.06169	0.8
223.08147	0.7
229.05043	3.4
241.04796	0.7
243.06497	2.3
257.08240	0.5
271.05991	2.6
278.13889	0.5
285.07602	1.4
298.04791	0.9
303.08600	2.4
307.10294	0.5
313.07031	1.2
317.06628	0.7
330.26257	1.1
331.08218	1.6
331.26642	0.8
348.27408	1.7
349.09479	5.1
349.27945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.107
Annotation	Defucogilvocarcin V
Peak:m/z	Relative Intensity
51.64598	0.1
56.96546	0.3
59.36002	0.1
60.74342	0.1
62.14636	0.1
65.75401	0.1
67.05481	0.1
70.39633	0.2
70.39981	0.2
79.05492	0.3
81.07026	0.1
86.33414	0.1
91.05479	0.2
91.13425	0.1
100.44284	0.1
107.04962	0.4
119.04942	0.2
129.07013	0.3
135.04427	0.2
145.06474	0.5
148.01566	0.3
157.06514	0.4
158.07249	0.8
165.06955	0.1
169.06494	1.8
169.07800	0.2
175.03912	0.2
175.07567	0.1
176.01012	0.8
177.01828	0.9
183.08243	0.1
184.05173	0.3
185.05978	0.8
187.07509	1.8
187.08897	0.2
191.03386	3.4
194.02122	1.0
195.08057	0.3
203.08528	0.2
204.09171	0.2
207.08051	0.2
215.08699	0.2
218.07269	0.3
219.08087	0.2
221.05943	0.1
221.09669	0.2
223.07542	0.2
225.05411	0.3
231.08041	0.2
232.08850	0.7
233.09581	0.4
234.06735	0.2
235.07530	0.5
237.05501	0.2
239.06958	0.2
246.06950	0.2
247.07523	0.3
247.11263	0.2
249.05457	0.1
249.09032	0.3
250.09877	0.1
251.07080	0.3
253.04982	1.1
259.07559	0.3
260.08365	1.3
261.09161	1.1
262.06274	0.8
262.09979	0.3
263.03647	0.3
263.07022	3.2
264.04202	0.6
264.07327	0.2
265.04956	1.4
267.02710	0.1
267.06564	1.0
272.08347	0.2
274.09955	0.3
275.07077	0.7
275.10663	0.5
276.04575	0.2
276.07898	0.4
277.05008	0.6
277.08588	1.7
278.05765	0.6
278.09372	0.4
279.06512	0.5
280.03696	0.2
283.06085	0.2
287.07019	2.5
288.07819	4.8
289.08557	2.5
290.05719	1.2
290.09192	0.4
291.06525	18.8
292.03683	0.5
292.07117	0.9
292.10553	0.2
293.04440	1.3
293.08014	0.4
294.05200	0.2
294.08823	0.2
295.05951	0.4
295.09619	0.4
302.09320	0.3
303.06653	0.5
303.10132	6.7
304.10773	0.2
305.08096	11.4
306.05414	0.2
306.08841	3.5
306.12021	0.1
307.05994	0.5
307.09430	0.3
316.07309	3.6
317.08109	3.5
318.05264	0.6
318.08627	0.2
318.12646	0.1
319.06055	6.4
319.09503	0.4
320.06583	0.3
320.10379	2.3
321.11218	15.9
322.11554	0.3
331.09662	6.8
331.15836	0.3
333.07562	2.4
334.08362	6.1
334.11835	0.3
349.10703	100.0
350.11057	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59528	10.3
55.01865	12.2
55.05526	49.7
56.96573	24.9
57.03439	15.6
62.09766	8.4
65.03949	9.8
67.05513	100.0
69.03409	15.1
69.07058	30.6
70.45865	24.9
78.68618	8.0
79.05518	43.2
81.03424	14.6
81.07070	82.4
83.05020	11.7
83.08615	21.5
85.02915	11.1
91.05480	49.0
93.07034	42.3
95.04988	19.6
95.08618	35.3
97.10188	26.6
98.97601	19.6
105.07034	44.7
106.07324	13.5
107.08607	35.2
109.10162	89.0
111.08089	11.0
112.50681	8.5
119.08588	31.7
120.00203	8.3
121.10165	20.8
123.04433	10.3
123.11712	9.4
125.09650	20.5
131.08582	22.9
133.10135	21.5
135.11725	10.8
145.10114	24.1
147.11732	15.1
149.09665	9.8
149.13286	15.6
155.10623	12.8
159.11681	19.7
173.11797	71.1
173.13161	13.8
189.11220	18.5
195.13782	28.7
213.14867	14.8
277.21719	28.9
295.22839	12.3
330.21271	18.1
348.22278	15.6
349.19803	50.4
349.23743	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	348.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.05495	3.5
56.96567	1.8
57.03424	2.3
61.02919	3.6
67.05502	1.5
69.03443	6.4
69.79105	7.1
70.06584	3.8
71.04995	1.8
73.02908	1.9
79.05486	2.0
80.38829	1.1
81.03421	3.3
83.04988	6.3
84.05311	2.0
84.08160	2.1
85.02911	24.6
85.06594	1.3
85.08920	3.3
91.05491	14.8
95.04996	3.9
95.08598	1.8
96.08156	1.3
97.02897	9.7
97.06532	1.7
98.21439	1.3
98.97597	2.8
100.07591	2.5
102.09172	4.4
109.02915	2.0
110.97581	1.7
111.04427	2.6
119.04962	14.6
122.09660	1.8
123.04344	1.3
123.08060	5.2
124.07652	1.6
125.05987	2.6
126.06318	2.1
126.09162	2.1
127.03897	4.2
128.10721	4.8
128.98607	1.5
129.11043	2.4
136.05205	1.7
137.05908	1.3
138.09126	1.8
142.08603	6.5
143.08995	5.6
145.04947	4.1
150.09131	1.6
151.07556	100.0
158.08134	1.5
168.06546	2.2
168.10164	10.6
169.08589	5.4
170.28760	1.5
171.30603	1.1
180.08749	1.4
186.11278	13.1
214.39900	1.1
219.01793	2.1
221.42078	1.2
237.02769	1.7
271.13666	1.8
316.19513	10.4
348.17175	14.3
348.22083	20.9
349.08917	2.9
373.36044	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2748
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03941	1.4
55.01865	0.9
55.05509	3.6
55.47241	0.8
56.05022	3.0
57.03431	1.3
57.53917	0.8
59.18604	0.9
60.04530	100.0
67.05511	12.3
68.05028	0.9
69.03425	1.4
69.07066	3.7
69.46326	3.7
69.46747	3.2
70.06592	4.1
72.04528	1.6
72.08165	1.0
74.06078	2.4
77.39387	0.9
79.05506	7.7
80.05007	1.7
81.03413	1.9
81.07071	13.5
82.06584	2.5
83.04968	1.1
83.08619	2.1
84.04503	4.4
85.02920	2.2
85.06563	1.0
86.06078	0.9
90.05539	0.9
91.05488	8.4
93.07055	8.5
94.06563	1.9
95.04973	2.2
95.08616	8.8
96.08125	1.5
97.06528	1.3
99.04459	1.6
103.03944	1.3
104.32001	0.8
105.07053	6.0
106.06532	0.8
107.08602	5.6
109.02832	0.8
109.10172	3.7
110.09602	0.9
115.69662	0.9
116.07098	2.7
117.07058	1.9
119.08606	3.3
121.06531	2.7
121.10132	5.4
123.08043	0.9
123.11731	0.9
123.53389	0.9
127.03899	1.0
129.06998	1.2
130.79991	0.9
131.08582	1.5
133.10104	3.0
135.11714	2.1
136.07626	1.0
143.08508	1.0
147.11664	2.1
149.13280	1.1
151.39561	0.8
151.64307	0.9
159.11731	1.7
161.13283	1.6
171.11644	1.0
173.13321	1.0
186.68800	0.9
201.12610	1.1
276.23251	3.2
294.24377	7.4
304.18060	1.9
312.25378	12.4
330.26395	28.4
348.12949	1.1
348.22028	2.7
348.27469	58.3
349.06860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05493	0.6
56.12544	0.6
56.96550	0.7
57.07076	0.6
67.05485	0.7
69.07056	0.6
70.82470	1.4
79.05489	1.4
79.44188	0.5
81.07047	1.4
88.07635	0.5
90.88476	0.5
91.05466	1.4
93.07037	1.0
95.08613	1.0
105.07047	0.7
109.10170	0.5
119.08602	0.7
131.08580	0.6
133.10146	0.7
139.03894	2.9
165.01945	2.3
183.02901	1.1
207.06482	0.6
223.06035	1.4
223.08139	0.5
224.65637	1.1
225.09184	0.6
225.88840	0.5
261.14655	4.7
265.08652	1.7
267.10013	0.6
271.81049	0.6
272.05719	0.6
285.29822	0.7
289.14420	1.9
347.21964	100.0
347.33566	2.3
348.22177	1.7
348.25793	0.7
363.80441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2196
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.96557	1.0
57.07072	1.4
67.05510	1.2
69.07063	2.0
70.00523	2.8
71.08617	0.6
73.75283	0.6
76.34847	0.6
78.20284	0.5
79.05458	0.8
81.07052	1.6
84.29154	0.6
89.77931	0.7
91.05475	3.8
93.07034	1.3
95.04973	0.8
95.08627	1.0
97.02892	0.9
98.97585	1.6
105.07024	1.0
107.08583	0.8
109.10203	1.2
117.06995	0.8
119.08595	0.7
121.10105	0.8
123.11698	1.0
131.00175	0.8
133.10098	0.6
134.57068	0.6
135.08043	1.1
142.84077	0.6
148.80739	0.6
149.01193	1.4
151.11246	0.7
156.03618	1.1
165.05414	0.7
181.10042	0.6
184.58151	0.6
207.06439	1.0
208.07257	1.9
211.46210	0.6
224.65685	0.7
225.09116	7.4
235.13065	1.3
249.14655	1.7
265.14111	1.1
266.14609	1.3
267.10205	2.4
301.07516	0.9
308.07208	0.7
347.17349	3.1
347.21964	100.0
347.67508	0.9
348.22287	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	347.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01871	2.7
55.05299	0.8
55.05514	11.3
56.05015	1.6
56.96550	1.2
57.03438	2.3
58.06596	2.6
67.05499	2.8
69.03421	2.0
69.07053	2.3
70.06609	4.5
70.83444	2.3
71.04984	2.1
72.08150	2.6
74.06054	1.1
79.05491	3.0
81.03419	1.4
81.07055	2.1
82.06573	3.2
83.04479	1.5
83.04985	30.0
84.04510	2.1
84.08145	6.1
85.02905	3.3
85.06549	6.1
85.08932	22.8
86.09705	1.6
87.08093	2.6
91.05473	1.6
93.03404	4.1
93.07052	1.7
96.08147	6.1
97.02922	2.0
97.06543	8.8
98.09716	4.7
98.97587	2.8
99.04500	1.3
99.51564	0.9
100.03971	1.0
100.07619	10.7
100.11269	2.1
102.09190	32.5
107.04958	1.5
108.08124	1.3
108.12960	0.8
109.02815	1.1
109.06499	0.8
110.06060	6.2
110.09682	2.5
111.04449	10.3
111.10046	1.2
112.07624	4.3
113.05981	1.1
115.07574	5.0
120.08115	1.6
121.06535	1.3
121.08447	2.3
124.07597	11.7
125.06005	20.0
126.09151	1.9
128.07082	4.4
128.10722	37.2
130.48117	0.8
131.00195	0.9
136.07605	2.1
136.11177	0.8
138.09135	3.2
139.09499	3.4
140.07062	3.2
142.08650	52.8
148.07634	1.6
149.05974	1.2
149.07979	3.8
152.07103	1.6
154.08730	0.9
156.10182	1.9
158.08171	4.2
160.09711	3.0
160.13330	4.0
166.08646	10.1
167.07036	0.9
167.07570	1.1
167.09010	14.4
168.06575	0.8
178.08617	1.6
185.09866	0.9
188.12857	4.9
192.10193	2.5
203.05444	1.1
206.11842	1.4
224.12944	1.9
234.11273	3.8
242.13860	1.6
252.12331	5.6
270.13345	6.5
272.10669	1.2
285.13068	1.6
297.18069	5.5
301.12503	1.9
302.15982	6.0
302.18900	1.0
303.13782	1.2
315.19159	47.9
329.11386	1.4
347.12955	11.2
347.21777	100.0
348.22266	1.4
350.75430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
56.05025	1.4
56.96327	0.7
56.96571	7.3
57.03425	2.0
58.06586	2.1
61.02922	0.9
65.20236	0.5
67.05494	2.2
68.99813	0.6
69.03429	3.5
69.07056	2.1
70.03749	0.7
70.06594	5.0
70.98145	0.7
71.04992	1.6
71.11459	1.2
71.95257	0.8
72.08160	43.0
73.08478	0.8
81.07070	0.8
83.04974	1.1
84.08148	4.8
84.96033	1.5
85.02901	3.1
85.06535	2.1
86.03302	0.4
86.06074	2.7
86.09698	1.2
87.04471	1.2
91.05479	0.8
93.07037	1.2
95.04978	7.5
95.08610	0.7
97.02899	3.0
98.09084	0.9
98.09692	10.0
98.97590	14.9
99.04473	0.6
102.09198	3.6
109.06506	2.4
110.01295	0.5
110.06039	0.5
110.97584	4.7
111.08081	0.9
112.07618	14.5
112.11248	0.6
112.99123	1.5
113.06015	3.9
115.03912	0.8
116.98618	5.3
119.01807	1.1
120.08093	0.6
122.09653	5.0
128.98616	2.3
129.10255	0.5
130.08650	7.7
130.93343	1.3
131.00113	0.9
134.99660	0.5
136.11205	2.4
137.06000	2.8
138.12776	1.8
140.10710	2.9
140.98611	1.3
143.00146	1.5
146.99678	1.3
148.03923	1.9
148.09709	0.8
152.05693	0.7
152.98529	0.6
154.08644	0.7
154.93288	1.8
157.07039	0.5
158.11775	39.3
158.99652	2.4
164.10713	2.1
170.99622	0.8
172.09702	2.7
172.94370	6.2
175.02792	0.6
176.12843	9.1
177.00723	1.2
177.04314	0.9
182.11775	4.7
189.00711	0.7
190.95390	2.7
196.94420	2.0
198.95879	0.8
200.12828	2.4
201.00716	1.5
203.02333	1.1
205.05515	4.5
205.55638	2.6
206.13829	0.5
208.09694	0.6
208.96425	0.5
214.95384	5.2
216.97021	1.7
218.13881	1.0
219.01801	7.0
227.07201	0.5
228.12405	0.6
228.96985	1.5
232.96477	3.8
233.96877	0.7
237.02837	5.6
238.95378	4.0
246.98000	1.5
250.97624	0.9
256.96487	10.9
256.99155	0.6
261.02823	0.6
262.97607	1.0
266.11325	0.8
266.13913	8.8
273.02750	0.8
274.97531	15.1
279.03940	0.8
280.60159	1.4
281.08969	0.7
284.15073	1.0
286.97482	1.7
292.98669	3.1
293.18588	1.1
295.07135	1.0
303.03964	0.7
304.98602	8.1
305.01926	0.9
311.19656	5.5
318.73993	0.6
322.99753	3.3
329.20789	6.0
334.74683	0.6
335.06589	1.2
347.06354	2.5
347.21771	100.0
348.21912	2.2
365.07312	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1673
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
51.59647	0.6
55.01885	0.6
55.05495	0.6
56.96558	0.6
61.72237	0.7
69.03420	1.1
69.07089	0.7
70.47742	0.8
70.48059	1.4
79.05482	0.6
81.07070	1.0
84.08115	0.5
85.02939	0.5
93.07033	0.6
95.08575	0.6
97.06538	0.8
98.97595	1.2
107.08555	0.6
116.98648	0.5
119.08631	0.7
135.11673	0.6
181.12239	0.9
184.17963	0.6
185.11479	1.6
199.08672	1.2
227.08218	1.2
237.02866	0.7
241.09641	0.8
255.11336	0.8
269.09140	1.2
273.08914	0.7
283.10828	2.8
303.17941	3.7
311.10333	3.9
329.11325	6.7
347.12442	11.6
347.16727	100.0
348.16989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89507	0.2
55.05521	0.2
56.05021	0.4
56.96561	0.2
58.06599	0.4
66.00185	0.2
69.03402	0.2
69.71017	0.4
69.71430	0.9
72.08153	2.3
83.04973	0.8
84.08128	0.2
95.04958	0.3
98.09699	0.3
98.97587	0.5
100.37199	0.2
101.06036	0.5
102.05544	12.2
102.09167	0.9
112.07556	0.3
114.09176	0.2
122.09681	0.2
128.10744	1.1
158.11766	1.9
169.81920	0.2
174.11261	100.0
175.11578	0.9
176.12791	0.3
182.11830	0.3
185.03972	0.4
185.05679	0.2
186.04683	0.2
266.06271	0.3
277.05280	0.2
325.78912	0.2
329.20776	0.4
347.21725	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	347.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
54.22988	0.6
55.01869	1.5
55.05510	1.3
56.96552	0.6
57.03426	1.0
59.70200	0.6
61.02926	2.7
65.03951	1.2
67.05507	1.7
69.03429	1.5
69.21963	6.6
71.04998	0.8
79.05491	6.2
81.03433	1.2
81.07063	2.3
82.06592	0.7
83.04980	0.7
83.08614	0.8
84.96040	0.8
85.02907	2.5
85.06537	1.1
91.03966	2.3
91.05486	40.8
93.07053	1.7
95.04963	1.8
95.08608	1.7
97.02915	4.0
98.20729	1.5
103.05479	4.0
105.07037	100.0
106.07378	0.8
107.04969	1.2
107.08548	1.0
109.06513	1.2
109.10193	1.2
110.97480	0.7
115.05456	0.7
117.07007	0.9
119.04981	0.7
119.08568	1.4
121.06573	0.9
121.10217	1.0
123.04431	1.5
123.08093	0.9
128.06175	0.8
129.07033	1.5
131.04887	0.7
131.08574	1.5
133.04936	0.7
133.06491	5.8
133.10179	0.8
135.04453	1.3
135.11658	0.6
137.06023	1.6
141.06996	1.2
143.08601	0.9
145.10133	1.0
147.04424	3.3
149.05984	1.2
151.07544	1.6
153.05460	0.9
159.07957	0.8
159.11719	0.8
161.06000	14.0
165.05495	2.2
167.07091	0.8
173.05998	1.7
174.06790	1.8
175.07500	0.9
178.04956	0.7
179.07083	7.3
185.09644	0.8
187.07642	1.6
189.16483	0.6
190.06332	0.9
201.05576	0.7
201.09160	0.9
202.06287	2.0
203.07025	0.9
215.07002	1.6
215.10730	1.3
227.10664	14.1
239.10684	15.9
243.06569	0.6
251.10690	5.9
253.12163	1.2
255.10010	1.0
257.11740	31.9
260.91611	0.6
263.10715	0.8
265.12296	4.9
281.11737	6.5
293.11728	13.8
299.12839	0.9
301.17636	0.8
311.12918	3.9
314.07904	0.8
329.10226	1.2
347.15137	4.8
347.18555	1.0
347.22272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1316
Annotation	Nordercitin
Peak:m/z	Relative Intensity
53.03936	0.8
54.19391	0.5
55.01865	0.7
55.05499	2.0
55.70515	0.4
56.05016	0.4
58.06614	0.6
61.02920	1.4
62.86441	0.5
63.57017	0.5
67.05493	0.6
68.05030	1.0
69.03432	3.2
69.07058	0.5
70.06594	1.1
71.04967	0.7
71.15627	0.7
72.08159	0.9
79.05477	1.1
80.05021	1.1
81.03413	1.6
82.06583	0.6
83.04991	3.0
84.08134	2.6
85.02912	7.7
85.08926	1.2
86.09723	3.0
87.10026	0.8
91.03975	0.7
91.05470	1.0
95.06099	1.6
97.02860	2.3
97.06524	1.2
98.09704	0.9
98.97600	0.9
100.07613	0.7
102.09169	1.8
107.04958	0.9
110.06052	0.6
111.04444	0.8
115.07555	0.5
121.07642	6.8
124.07596	1.4
125.05987	1.5
127.03924	1.8
128.07074	0.8
128.10728	3.4
137.06012	0.9
140.06982	0.5
142.08640	3.4
144.01154	1.4
145.04970	1.1
149.07112	20.6
160.62404	0.5
167.08153	15.7
170.06415	0.8
172.04256	0.7
178.04961	0.6
185.04408	0.5
185.07808	1.6
185.09245	12.7
203.05324	1.5
215.08521	1.1
232.09235	0.4
264.97968	0.6
270.08362	0.4
270.13480	0.6
285.13058	1.0
287.10953	1.0
301.08618	0.8
301.12463	1.2
315.19193	3.6
329.11530	0.7
347.13123	100.0
347.21680	6.1
348.13394	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	347.1315
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.05503	1.2
56.96558	1.9
61.02919	1.1
69.03429	3.7
69.88831	3.9
72.08163	1.1
74.59736	0.9
76.31944	0.8
76.48603	0.7
81.03413	1.4
83.04967	1.5
85.02909	4.1
97.02879	2.2
98.06116	0.8
98.97578	3.8
102.09139	1.5
109.02854	1.2
110.05991	0.8
110.97611	1.1
112.07601	1.1
116.98589	1.0
123.04426	0.9
125.06039	1.0
127.03883	1.4
128.07129	0.8
140.07082	0.9
142.08650	1.9
158.99698	0.9
167.06853	3.4
185.04240	4.2
185.07874	15.7
203.03873	0.8
203.05319	7.3
211.08168	1.0
221.05077	0.8
285.13049	5.9
301.12601	26.5
315.19202	1.8
329.11707	1.8
347.13071	100.0
347.16824	36.3
347.21768	3.1
348.13489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1127
Annotation	5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
51.02370	1.2
53.03950	2.8
55.01857	2.0
65.03934	4.0
69.03455	1.2
70.68625	3.2
77.03925	2.5
79.05499	11.6
81.07037	2.2
83.04966	2.3
91.04973	1.2
91.05488	18.3
93.07035	2.0
95.04976	11.8
97.06461	1.6
97.31607	1.0
99.04446	4.2
103.05463	2.3
105.03383	5.0
105.04472	1.4
107.04959	22.0
111.04435	3.4
119.04955	21.8
121.02881	1.8
121.06499	3.5
122.03625	2.6
123.04445	7.6
123.08073	1.5
124.05187	2.5
125.05981	2.5
127.03933	2.1
128.06241	2.1
129.07011	2.2
133.02859	97.2
133.06477	4.2
134.03697	1.3
135.04411	2.2
137.06007	12.3
138.03134	4.5
139.03923	2.9
140.04691	3.5
141.07019	2.2
143.08594	1.6
145.06477	1.2
147.04405	20.1
149.05919	1.6
150.03091	7.0
151.07576	3.5
152.01056	21.7
152.04698	3.9
152.06186	1.3
153.05475	33.8
153.06975	4.0
154.06255	2.3
155.07047	2.8
157.06529	2.8
159.04390	3.5
161.06061	2.8
162.03130	7.5
163.03964	1.7
164.04697	2.0
165.05484	43.4
166.06194	1.6
167.03407	51.0
167.04695	1.8
167.07050	42.5
169.06480	3.4
170.02127	2.8
171.08069	5.8
173.05994	2.9
177.05464	18.9
178.02625	3.2
179.03444	1.7
179.07050	48.6
180.07785	4.5
181.04993	2.7
181.06413	10.9
183.06555	4.0
184.05226	5.1
185.05974	3.1
191.07127	2.9
193.04974	47.1
193.06723	2.8
193.08638	3.7
197.06000	3.7
198.06741	2.8
199.07545	18.9
201.05501	3.0
205.08629	2.5
207.06557	13.3
209.05994	4.8
212.04729	7.7
213.05466	5.1
214.06230	1.4
215.07124	1.7
217.08702	2.1
218.99664	1.2
223.03870	5.0
224.05209	1.1
225.05502	3.8
226.06300	5.0
227.07028	24.6
229.04968	5.3
231.10156	7.0
237.05525	6.5
239.03307	1.4
240.04153	2.6
241.05084	1.2
241.08701	7.1
243.06458	3.6
244.07358	2.9
245.08089	2.7
253.04832	1.5
254.05882	2.1
255.06552	18.2
256.07007	1.7
257.04440	3.5
259.09662	25.6
261.07584	3.0
268.07401	2.5
269.08145	5.2
271.05972	1.8
272.06799	3.7
287.09152	30.2
288.09763	3.7
289.07327	1.9
291.12253	5.8
297.07635	1.2
299.05551	1.5
301.10684	2.9
302.01544	1.3
304.09460	3.9
315.08530	7.6
319.11783	76.7
326.15933	1.2
329.10336	5.4
347.11261	100.0
348.11700	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	347.1129
Annotation	Laurentiquinone
Peak:m/z	Relative Intensity
53.03924	0.6
55.01858	0.9
55.05500	0.9
56.96555	2.0
67.05507	3.1
68.99784	4.0
69.07076	1.8
69.50146	1.7
69.50578	2.2
74.12401	0.5
77.03880	0.5
79.05486	1.7
80.06255	0.5
81.03407	4.8
81.07054	2.3
82.14141	0.5
83.04977	5.1
84.44242	0.6
91.05495	2.8
91.57825	0.5
93.07050	1.0
95.04976	5.6
95.08615	1.7
97.06575	1.2
98.97580	1.0
105.07050	2.1
107.04987	1.3
107.08602	1.4
109.02889	1.5
109.06532	1.1
109.10155	0.8
109.38573	0.6
111.04452	0.7
118.61959	0.6
119.04923	0.6
119.08617	0.7
121.02905	0.8
121.06509	0.9
121.10108	1.1
123.04440	38.7
123.08067	0.8
125.05995	2.6
125.09657	0.6
131.08574	1.2
133.06503	1.3
133.10124	1.1
135.04411	1.1
135.11681	0.6
136.05209	1.8
137.05974	3.3
138.06779	1.7
139.03963	0.6
139.07648	0.7
147.11732	0.7
148.05257	0.6
149.02350	1.9
150.06844	1.1
151.03915	100.0
151.07523	9.9
152.04410	0.6
153.01811	4.0
153.05447	6.7
154.06256	1.6
161.05991	0.8
162.06766	1.1
163.03922	4.2
165.05544	0.9
165.09193	0.7
167.07109	0.7
168.07838	9.3
169.05003	0.8
169.08656	2.7
172.39996	0.5
177.05402	0.7
179.03410	12.7
179.07016	8.5
180.04189	0.9
181.08601	23.6
181.10208	1.2
183.06544	1.6
185.06102	0.6
189.16432	0.7
190.75349	0.6
191.07039	0.5
193.05064	0.7
193.08611	3.8
194.09399	8.6
203.07008	0.6
207.06543	2.4
208.07378	1.8
223.06036	7.6
227.07269	0.8
243.06432	0.7
251.06924	0.7
259.09720	1.5
261.07678	0.8
272.06827	0.8
273.07526	1.1
287.09177	2.3
288.09985	2.6
298.08499	1.0
299.05701	0.6
304.09540	0.7
319.11798	7.6
319.15216	0.9
329.10138	1.7
347.11331	18.7
347.18304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
56.96560	3.0
65.03930	2.1
67.05494	2.8
69.03423	1.0
69.07066	2.1
71.30727	0.8
71.57272	0.9
71.57656	1.4
72.48650	0.8
79.05474	3.0
81.07051	5.9
83.08641	1.4
91.05478	3.3
93.07032	4.1
95.04970	11.2
95.08626	4.9
96.63783	0.9
98.97584	3.8
105.07030	4.0
107.04990	1.2
107.08598	3.8
108.02100	1.1
109.06505	1.6
109.10158	2.7
116.98663	1.1
117.07053	1.0
119.08587	2.1
121.06495	1.6
121.10155	3.6
121.86588	0.9
123.04427	2.1
123.11728	1.7
125.06036	1.3
128.75002	0.9
131.83432	1.0
133.10115	1.0
135.08063	1.9
135.11679	5.1
137.05983	1.4
143.08562	1.1
145.10121	1.5
147.08051	0.9
147.11708	1.5
151.03915	100.0
157.10182	1.0
158.99655	1.1
159.11720	1.6
177.00571	1.0
179.08627	1.2
181.04865	1.1
193.04976	2.0
195.06534	18.0
198.03273	0.8
198.05310	1.2
200.08379	1.1
203.06821	1.2
209.13065	1.0
213.05602	2.0
217.96805	0.9
227.07124	1.9
241.04994	2.0
248.15411	1.0
251.01726	1.0
251.07066	1.9
256.07272	2.6
266.16360	1.0
271.09634	7.9
284.06982	1.0
285.34570	1.0
299.09119	9.8
329.10141	20.0
347.12692	2.5
347.18658	1.9
347.22134	3.5
347.26013	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67472	0.9
53.03944	1.4
55.01873	3.7
56.05029	1.6
56.96570	29.0
57.03442	12.7
61.02930	34.6
69.03437	24.9
70.06588	1.3
70.98117	4.4
71.04995	2.6
71.95255	1.5
72.08155	11.3
73.02922	24.0
81.03437	6.5
81.07041	1.0
83.00774	2.0
83.04991	1.9
84.08144	4.6
84.96038	7.9
85.02912	41.1
86.03260	1.7
87.04475	3.9
88.99158	2.8
89.00780	2.7
91.04036	1.3
95.00768	1.7
95.04984	2.1
96.01556	1.5
97.02901	20.8
98.09726	3.3
98.97588	53.6
99.04474	4.5
100.99170	1.6
101.00867	3.6
101.02432	1.4
102.05544	13.4
102.09192	1.6
104.01299	2.6
109.02892	4.7
110.01304	6.0
110.01942	1.3
110.97581	18.3
112.07593	4.5
112.99129	5.5
113.02403	2.1
115.03980	2.2
116.98627	15.5
117.02030	2.1
118.01014	3.2
119.01830	14.0
120.00780	2.6
123.00278	1.7
124.95486	4.2
124.99144	7.3
124.99916	1.3
125.01802	2.9
127.03925	15.0
128.02325	3.2
128.10719	2.1
128.40727	1.1
128.98598	16.2
129.02135	1.1
129.10255	2.9
130.08618	1.7
131.00189	5.4
131.01805	5.1
132.00735	2.1
133.03415	2.3
134.99667	2.3
137.01814	3.5
140.02318	4.5
140.98598	4.9
141.01270	10.9
142.96555	3.2
143.00194	10.1
143.01860	2.8
144.99782	1.7
145.01711	1.8
145.03470	1.5
145.05000	6.7
146.02310	5.6
146.99704	6.3
147.03099	1.6
149.01224	1.5
149.02856	2.6
150.01817	18.4
152.51990	1.4
152.98616	1.6
154.02121	1.2
155.00140	2.3
155.02870	6.7
156.98117	3.3
157.02609	1.4
158.11761	12.3
158.99684	15.5
160.97630	1.5
161.01201	6.4
161.02882	3.9
163.33282	1.1
164.03233	1.2
165.00720	1.5
167.02863	3.7
169.04431	2.8
170.03403	2.5
170.96042	3.8
170.99672	14.9
171.05058	3.0
172.97641	2.4
173.01259	4.3
173.02988	2.4
174.11276	100.0
174.99193	6.1
175.00829	3.4
175.02826	2.2
176.03381	41.0
176.05891	6.6
176.12764	2.1
176.53525	1.6
177.00764	7.3
177.02087	1.6
177.04164	3.4
178.04945	3.5
182.01540	2.5
182.03391	2.1
182.99689	4.4
183.02373	1.5
184.01358	4.5
184.04985	3.0
184.97745	1.1
185.01395	1.6
185.03969	25.9
185.06529	2.5
185.07980	2.6
185.54097	1.6
186.04659	2.0
186.99261	1.6
187.02606	1.3
188.97108	6.1
189.00697	11.0
189.06116	1.5
190.98689	2.5
191.00642	1.2
191.02188	7.1
191.03940	9.2
193.00192	3.7
193.01866	1.3
193.03833	1.8
194.01595	1.4
194.04404	1.8
194.06082	1.2
196.01328	8.2
199.05540	1.3
200.04445	8.2
200.97009	1.4
201.00681	8.9
202.98604	2.8
203.02211	2.9
203.05283	1.7
205.00253	2.0
205.01848	14.2
205.03702	1.6
205.52028	2.2
206.98143	1.5
207.01833	1.7
212.56900	1.1
214.02356	3.3
214.98677	1.3
217.00171	1.3
219.01747	12.8
219.03586	1.7
220.99699	3.3
221.05072	2.8
226.02379	26.3
226.52477	1.6
228.05885	2.0
230.98116	1.7
231.01740	8.9
232.96484	1.9
232.99809	2.0
233.03262	2.2
235.02869	20.8
235.53064	1.6
236.05403	2.6
237.02809	6.0
242.98111	1.8
243.01707	2.2
244.03481	2.5
245.05402	1.2
248.05592	2.3
248.99165	1.6
249.00232	1.2
249.02809	13.7
251.04359	4.8
255.60002	1.1
256.57166	1.4
256.96469	2.3
257.06027	24.7
257.08615	2.0
257.56223	2.9
258.06906	1.5
260.99112	1.2
261.02856	6.4
263.00797	3.5
266.06436	36.8
266.13956	2.3
266.56699	3.7
267.07477	1.2
269.05423	14.9
274.97552	3.0
275.00357	1.3
279.03949	3.1
281.06003	1.0
284.43143	1.2
287.06430	2.4
288.98810	1.4
291.03888	15.7
301.12363	3.3
311.19711	1.9
321.01465	1.9
321.04913	3.6
322.99661	1.4
337.08090	1.7
338.46460	1.2
347.13675	14.3
347.18011	2.7
347.21762	23.2
347.61108	1.1
349.01126	1.2
351.06009	3.5
351.11316	6.0
365.04031	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	346.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01854	1.7
55.05500	5.6
57.03446	2.5
60.04523	7.8
61.02910	2.9
67.05499	2.8
69.03442	7.2
69.61149	8.4
70.06583	4.0
72.08151	8.8
73.02930	2.4
76.50113	1.2
79.05492	3.3
81.03405	3.0
81.07043	2.2
84.04472	2.3
84.08146	1.8
85.02906	28.7
85.06541	1.9
86.09695	6.1
89.89082	1.2
91.03944	1.6
91.05480	3.0
93.07054	2.3
95.04941	1.6
95.08586	2.6
96.08128	1.6
97.02905	9.4
98.97581	4.2
99.04445	1.7
102.05519	1.7
102.33100	1.4
105.07053	1.5
106.88553	1.3
107.04964	100.0
109.02876	2.9
112.07590	2.1
120.08073	1.2
123.08082	2.3
124.07619	9.6
127.03901	5.3
131.04901	2.2
145.04930	4.9
145.06499	1.7
149.05984	4.1
149.09628	29.8
173.05994	2.5
176.46991	1.3
210.14925	2.3
215.06802	1.5
215.10487	2.3
233.08223	2.0
273.13623	1.7
302.17169	2.8
328.24582	1.5
346.22433	2.4
346.25922	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	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	26.0
57.03432	5.3
57.65351	3.5
58.27698	3.6
59.05008	4.4
61.16119	3.4
65.03927	3.7
67.05505	75.3
69.03410	4.3
69.07059	22.5
69.80800	16.6
71.05029	4.9
78.96827	4.4
79.05504	22.9
81.07059	38.7
83.08600	18.0
85.06567	3.4
87.83831	4.0
91.05479	16.9
93.07055	21.9
95.04929	3.6
95.08613	31.0
97.06542	7.0
97.10149	10.0
98.97578	16.8
105.07002	15.2
107.08610	35.3
109.10163	58.6
111.08081	5.6
116.98643	4.6
119.08543	15.0
121.10125	7.8
125.09618	11.4
131.08560	3.9
133.10158	11.7
137.09605	4.2
145.10155	5.9
147.11719	7.0
149.13248	8.8
155.10617	28.7
158.99588	5.0
159.11763	6.4
173.11742	100.0
173.13158	8.6
189.11230	11.5
195.13812	19.2
213.14813	10.9
214.06322	3.7
215.06642	7.7
226.05853	5.4
243.06207	4.2
254.05370	8.5
258.08356	17.6
275.20065	32.1
286.07953	29.8
293.21100	6.7
314.07364	31.5
357.01602	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	346.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65355	1.2
53.03953	3.2
54.57573	1.0
54.60162	1.1
55.01879	7.8
55.05513	3.2
56.05041	6.0
56.96566	19.0
57.03453	6.9
59.05006	1.4
61.02936	7.1
67.05508	4.9
68.05038	1.2
69.03433	24.2
69.07076	3.3
69.24603	10.7
70.03758	1.2
70.06597	5.7
71.01363	1.5
71.05002	5.6
72.04519	1.3
72.08163	16.2
73.02928	7.8
73.08492	1.8
75.04455	1.0
76.06329	1.0
79.05493	2.3
81.03428	9.2
81.07056	3.7
82.06583	3.8
84.04527	1.4
84.08162	5.7
84.96039	3.2
85.02914	54.3
85.03432	2.7
85.06550	3.5
86.03230	1.2
86.09705	3.4
87.04462	5.0
91.03944	2.8
91.05497	4.1
93.05792	3.0
93.07063	1.6
94.06580	23.2
95.04954	2.6
95.07349	1.2
96.04509	1.6
97.02900	19.9
98.97590	44.9
99.04456	4.8
100.04014	5.2
100.07635	1.4
100.99133	1.4
106.06554	8.8
108.08125	34.6
109.02891	5.6
109.06529	2.5
110.06011	2.8
110.09689	1.7
110.97570	9.6
111.04443	1.1
112.07616	25.3
112.99154	3.9
113.06064	5.3
113.07144	2.2
115.03934	2.3
115.37970	1.2
116.98631	12.9
117.10271	6.8
119.04990	1.2
120.04456	1.0
121.02917	1.4
122.06078	1.3
123.06823	13.2
124.07614	5.9
124.99153	1.4
126.05593	1.4
126.09106	1.1
127.00721	5.8
127.03920	11.3
128.02344	1.5
128.07114	2.2
128.98615	9.0
129.10300	1.8
130.08632	10.4
131.00175	5.0
131.01851	1.7
134.06036	2.4
134.99673	2.4
136.07591	82.0
137.06015	3.4
137.08383	8.2
138.05528	3.7
138.09151	56.3
140.03459	2.4
140.07065	1.6
140.98643	2.2
141.06619	4.5
142.08739	1.2
143.00186	5.6
144.98116	1.2
145.01741	10.9
145.04955	7.9
146.99693	3.4
147.03314	1.9
147.04468	3.0
148.03961	4.4
148.07617	3.3
149.01180	1.7
150.09193	2.1
151.07532	1.7
152.07083	15.2
154.08630	14.4
155.04678	3.3
156.03432	2.5
157.01686	2.4
158.11833	3.6
158.99663	11.5
159.03299	1.5
159.12119	2.7
161.01219	3.6
161.02939	1.9
163.02780	5.5
166.05017	10.8
166.08659	42.5
167.04744	1.7
168.03400	2.6
168.10223	1.4
169.01695	1.4
169.24123	1.1
170.05057	2.0
170.99626	5.2
171.03311	2.4
171.11320	2.0
172.94376	2.0
173.01250	2.4
175.02838	2.6
175.04399	3.8
176.03427	1.4
176.05202	2.6
177.00677	8.7
177.04248	1.1
177.10239	1.0
179.02400	1.4
182.08138	1.9
182.99683	3.7
184.04877	4.2
184.06291	12.2
184.09709	80.7
184.55177	1.4
185.01341	1.2
186.04414	3.0
187.02850	2.0
188.06078	1.3
189.00720	4.4
189.04318	3.4
190.95364	1.1
191.02269	1.9
191.03894	2.0
194.08174	2.7
195.05424	1.2
197.05478	1.3
199.10855	4.2
200.09142	5.2
201.00764	6.4
204.05547	1.2
205.03876	2.7
212.09221	4.2
212.14047	1.8
214.03871	1.5
214.08289	4.0
214.95335	1.3
215.02328	1.8
217.03896	3.5
219.01817	14.5
219.05301	1.7
220.06017	2.1
221.03346	2.5
227.06850	3.1
228.05473	1.5
230.10257	5.2
231.01816	1.8
232.96513	1.8
233.03322	1.6
235.04901	9.2
237.02829	12.2
238.95538	1.4
243.01753	1.6
249.02689	1.5
249.08127	2.7
251.04337	1.2
252.13434	1.4
256.07162	2.6
256.96552	4.1
261.02832	8.4
265.07657	3.6
269.05518	1.7
270.14432	5.6
274.04199	1.6
274.97522	4.9
275.09741	1.2
277.06009	3.4
279.03955	5.0
304.98627	3.0
309.08508	2.1
310.17947	1.8
314.12305	8.4
321.04980	3.3
323.06540	1.4
325.62320	1.1
328.14572	2.3
328.18710	27.4
346.14981	100.0
346.19855	42.6
347.09515	2.1
347.12805	1.8
347.16089	1.5
347.21671	1.4
367.09116	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
53.98513	0.6
55.01865	0.9
55.05497	0.8
57.03422	1.2
58.33355	0.6
61.02919	1.7
65.41113	0.6
69.03432	3.5
69.07069	1.0
69.19656	6.9
70.06599	5.5
72.08157	1.6
79.05494	2.2
80.05006	0.8
81.03406	2.2
82.06567	1.0
83.04954	1.2
84.04502	1.0
84.08139	1.3
85.02911	9.5
86.09702	2.8
87.61965	0.7
91.05474	2.3
93.07056	7.7
94.06571	2.7
95.04950	0.7
95.07340	2.4
96.08138	6.5
97.02898	3.2
97.06535	1.1
98.97572	2.4
99.04436	1.1
99.57975	0.7
102.09167	1.4
103.05476	3.8
105.05775	0.7
105.07041	0.8
107.04959	2.9
107.07317	0.7
108.08140	6.2
109.02892	1.2
110.09689	9.9
112.07595	0.7
116.07112	2.0
118.06538	0.6
119.04951	0.7
119.08583	1.0
120.08110	17.0
121.06520	0.8
123.06797	0.7
124.07610	1.5
125.05984	1.2
126.09145	4.0
127.03898	2.3
128.10727	1.1
128.43770	0.6
130.06516	1.5
136.07585	1.7
136.65236	0.6
137.06018	0.7
138.09142	31.3
140.07126	1.0
142.08649	1.6
145.04955	1.9
147.04437	1.7
148.07579	30.6
149.05977	1.7
156.10231	0.7
159.23326	0.6
163.03807	0.7
166.08647	100.0
167.05765	0.7
167.07069	2.1
167.08830	1.1
175.03897	0.8
178.56841	0.7
180.08618	0.9
182.52534	0.6
184.09703	4.7
207.10104	0.8
227.06935	0.8
237.09036	0.8
283.09592	1.5
300.12234	0.8
315.19147	1.4
329.10132	1.0
342.92496	0.8
347.13135	0.9
347.17603	0.9
347.21887	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
55.05511	0.9
56.96562	0.9
57.03439	1.2
57.84404	0.6
58.06629	0.7
61.02932	1.7
63.67113	0.7
67.05486	0.7
69.03422	2.7
69.07063	1.3
70.06583	2.1
71.30192	1.4
71.97407	0.7
72.08125	0.7
79.05492	2.7
79.15334	0.7
80.05016	1.3
81.03436	1.7
81.05801	1.2
82.06578	1.8
83.04983	1.4
85.02913	7.3
86.09707	3.6
91.05473	2.2
93.07050	6.5
94.06577	7.7
95.04951	1.1
95.07358	8.7
95.08603	1.1
96.07553	1.1
96.08141	18.2
97.02876	2.4
97.06532	2.3
98.97604	1.1
102.09155	0.8
103.05487	1.6
105.07028	1.1
107.04992	3.2
107.07403	0.7
107.08623	0.9
108.08134	7.1
109.02857	0.8
109.08895	1.6
110.06045	0.8
110.09690	33.6
112.07616	0.9
116.07095	1.0
119.07295	0.6
119.08575	1.0
120.07238	1.1
120.08109	20.8
121.06542	1.2
122.02707	1.1
123.06804	1.4
124.07601	1.4
125.06026	1.1
127.03915	2.1
128.10800	0.9
130.11371	0.7
136.07588	2.2
137.06042	1.0
138.09154	38.1
142.08614	1.5
145.04956	0.9
147.04414	0.9
147.11679	1.3
148.07594	6.2
149.07130	1.3
165.12817	0.8
166.01306	1.0
166.08655	100.0
168.10289	0.7
184.09714	9.2
185.09232	1.4
285.12979	0.7
295.39246	0.7
315.19092	1.1
347.13257	1.9
347.21793	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	345.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95889	0.4
55.01867	1.6
55.04252	0.4
55.05495	0.7
56.05029	1.3
56.96292	0.7
56.96568	13.2
57.03445	2.0
58.06594	1.9
61.02929	0.6
67.05501	1.4
69.03123	0.4
69.03442	4.3
69.07077	0.9
70.06598	7.0
70.98101	1.3
71.54906	0.7
72.04514	0.6
72.08158	39.3
72.96046	0.8
73.02906	1.3
79.05472	0.5
81.03403	1.2
81.07059	1.3
82.06585	3.4
83.04986	1.0
84.08150	3.8
84.96030	1.4
85.02909	4.7
85.06542	1.5
86.06059	3.4
86.09712	1.6
87.04469	1.1
91.05491	0.6
93.07022	1.0
95.04977	5.5
96.08127	1.3
97.02897	4.1
97.99203	1.3
98.09087	0.8
98.09697	11.5
98.97590	9.5
100.07603	0.9
101.00813	0.5
102.09178	5.2
108.08115	0.8
109.02893	0.6
109.06512	3.6
110.06023	1.5
110.80941	0.4
110.97562	1.7
111.01998	0.4
112.07574	0.4
112.11229	0.7
112.99160	1.2
113.06013	2.4
115.00685	0.7
115.03941	0.9
116.97918	0.4
116.98612	2.5
117.71828	0.5
119.04980	0.5
121.06512	0.9
122.09674	5.6
124.00700	0.4
126.02340	0.8
126.09137	3.3
127.03902	1.3
128.07085	11.6
128.98613	1.9
129.02231	0.4
129.10345	0.4
130.93315	1.4
131.00209	0.7
133.01735	0.6
134.99693	0.8
136.07607	4.2
136.11229	2.4
137.05995	4.4
137.07945	4.4
138.12766	1.0
139.03368	0.5
140.03839	1.4
140.10735	3.8
142.01778	1.7
142.05392	0.8
143.00186	0.7
145.01700	0.5
145.03416	0.5
145.04893	0.4
146.08112	1.5
146.99638	0.7
147.03120	0.5
148.03912	2.2
154.04984	1.3
154.93282	0.8
155.07059	0.7
157.01695	0.7
158.04872	1.3
158.11774	45.5
158.99652	1.2
159.03270	0.7
159.12144	0.5
160.02841	1.1
160.06482	1.8
161.01201	0.5
163.02895	0.4
164.07103	0.6
164.10732	1.8
164.11969	0.4
165.07471	1.0
166.05008	2.0
166.08691	0.7
168.98119	0.6
170.05142	0.8
170.99585	0.5
172.94347	3.4
173.01234	0.7
175.02806	0.6
177.00720	0.6
182.08136	4.5
182.11708	3.0
183.04190	1.7
183.08614	5.2
184.06264	0.7
184.09703	0.6
187.02750	0.5
188.05928	1.0
189.00764	0.7
190.95395	1.6
197.06638	0.4
197.56746	0.5
200.12851	1.6
201.00691	0.9
203.02281	0.5
205.03806	0.9
205.05502	5.4
205.55721	1.4
206.06947	2.7
214.09232	0.5
214.95416	2.8
216.96986	0.9
217.03796	0.5
219.01767	3.1
219.08003	0.5
224.08138	1.8
226.05853	0.8
227.06834	0.9
227.10635	0.6
230.98477	0.8
232.10371	1.0
232.96443	4.5
237.02817	2.0
242.94975	0.8
246.11322	0.6
246.98187	0.5
248.07947	0.6
248.99306	0.6
250.97505	1.3
255.06282	1.7
257.81656	0.4
259.13266	2.0
260.96097	1.0
264.06940	1.2
264.12387	1.3
264.56708	0.5
274.97351	0.6
277.05872	1.1
279.09064	0.9
282.11169	0.6
286.09686	1.1
289.14301	0.7
290.09161	0.4
295.07040	1.6
299.14059	0.6
302.97034	0.6
303.17685	0.9
304.07248	0.5
304.10654	1.3
309.18112	4.8
312.55838	0.6
313.14291	0.8
318.12692	0.4
320.98053	0.9
322.11667	1.4
327.19183	7.3
328.03928	1.0
328.11725	0.5
331.15430	2.3
337.90497	0.4
345.20215	100.0
346.04807	3.4
346.20554	2.5
363.18021	1.6
364.06064	1.1
365.07846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
57.03437	0.8
57.31995	0.5
60.02545	0.7
65.03941	1.0
67.05504	3.3
68.05016	1.1
69.03427	1.7
69.07072	7.1
69.86000	3.2
71.05013	1.0
79.05491	2.0
80.05028	1.7
81.03409	0.9
81.07074	3.5
83.04989	0.8
84.08130	0.7
85.02902	1.0
86.09752	0.7
89.03928	2.0
91.05472	1.3
93.05819	1.0
93.07055	1.4
94.06573	15.2
95.04981	2.6
95.08634	1.2
97.02846	0.8
97.06511	1.4
98.97572	0.8
99.04437	0.7
99.08078	0.6
107.04932	0.9
107.08585	0.8
108.08126	2.1
109.02922	0.6
109.06510	1.0
109.10175	0.9
110.06039	2.4
112.07609	1.8
113.06017	0.6
114.05613	0.5
116.04980	7.5
118.06552	1.0
119.08607	0.8
121.10155	1.1
122.06045	27.0
123.04414	1.2
123.08057	0.6
131.04916	1.0
132.04601	0.6
137.05992	1.4
138.09265	0.6
139.11163	0.8
140.07071	33.0
141.07887	1.0
144.04465	16.4
146.06018	7.9
159.11752	0.7
162.05518	7.2
172.03944	65.1
173.04520	0.6
174.05515	3.6
178.08640	1.1
183.13835	5.8
190.04993	1.7
204.06575	100.0
205.07088	1.2
206.08134	16.6
236.60786	0.6
239.07043	2.3
267.06607	1.1
293.48590	0.6
295.06006	3.5
300.12009	1.2
313.11670	2.1
321.77560	0.6
327.05109	0.8
327.13501	2.0
331.12875	2.3
345.06015	1.2
345.09763	3.7
345.14661	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	345.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.05513	0.5
56.96570	2.0
57.03428	0.6
59.04996	0.6
61.02910	0.7
63.71174	0.5
69.03425	2.6
70.06588	1.4
71.57118	0.8
72.08163	2.6
73.02917	1.2
83.05012	0.6
83.08663	0.5
83.93742	0.6
84.04479	0.6
84.08154	1.7
85.02933	4.0
86.09698	1.2
87.04500	0.5
91.05484	0.9
91.46259	0.5
95.04981	1.0
97.02888	2.1
98.97583	3.6
104.12120	0.6
107.04905	0.5
109.02878	0.9
110.97583	0.7
113.05991	0.6
116.98630	1.1
117.98954	0.6
118.08615	0.6
120.05332	0.6
120.49322	0.5
123.05575	1.0
127.03927	0.9
129.10201	0.6
132.04448	1.1
133.94408	0.6
137.05975	2.4
145.05020	0.6
147.04420	2.8
148.04782	1.7
158.99738	0.8
162.05455	0.6
164.07021	0.7
165.05519	1.4
165.07376	0.8
166.11545	0.7
177.00749	0.7
182.05009	1.4
183.05229	1.6
189.06604	0.9
192.03574	0.6
204.12430	0.7
219.01810	0.7
237.02760	1.3
248.23453	0.5
327.14093	1.8
328.12903	0.7
345.15259	100.0
346.15463	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0971
Annotation	Breverin
Peak:m/z	Relative Intensity
55.01879	1.6
64.74886	1.1
65.03944	1.9
65.79703	1.1
67.53625	1.1
68.68925	1.1
70.19921	2.9
70.20317	3.5
75.83044	1.2
79.05492	3.7
91.05492	3.3
93.07018	1.4
95.04971	9.1
98.20732	1.6
103.05476	2.5
105.03390	3.5
107.04958	3.3
109.06507	2.7
121.06538	9.3
125.06003	2.7
130.16400	1.3
131.04967	1.5
133.02870	15.9
133.06531	2.1
134.03575	2.1
135.04425	3.6
137.05984	11.8
139.39330	1.4
147.04422	2.5
148.05193	2.3
149.05995	11.0
150.03139	2.5
151.03914	100.0
153.05495	4.3
153.70514	1.3
161.05983	6.7
162.03146	4.3
163.03871	14.4
163.07597	2.1
165.05495	12.1
167.07112	1.5
168.05711	2.3
175.04068	1.8
177.05496	53.9
178.06271	10.6
181.05013	10.5
190.06227	1.3
191.07048	10.1
193.04994	10.9
195.06537	3.1
196.05228	2.5
197.05988	1.6
198.06696	1.5
205.04977	9.7
211.07584	3.0
214.06093	1.3
221.04478	6.3
227.03380	1.5
227.07085	2.7
228.07870	2.0
238.06288	1.6
239.07018	11.3
241.08757	3.1
242.05760	5.5
252.04080	1.4
255.06670	1.8
256.07489	1.8
257.08105	6.7
266.05829	2.3
267.06564	9.5
269.08221	2.1
271.09454	1.8
273.11246	3.9
284.33685	1.4
285.07364	1.8
295.05948	13.3
299.09091	4.2
301.10501	1.6
312.06171	1.7
313.07132	1.3
315.08539	5.5
327.08655	11.9
345.09433	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	345.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
64.74886	1.1
65.03944	1.9
65.79703	1.1
67.53625	1.1
68.68925	1.1
70.19921	2.9
70.20317	3.5
75.83044	1.2
79.05492	3.7
91.05492	3.3
93.07018	1.4
95.04971	9.1
98.20732	1.6
103.05476	2.5
105.03390	3.5
107.04958	3.3
109.06507	2.7
121.06538	9.3
125.06003	2.7
130.16400	1.3
131.04967	1.5
133.02870	15.9
133.06531	2.1
134.03575	2.1
135.04425	3.6
137.05984	11.8
139.39330	1.4
147.04422	2.5
148.05193	2.3
149.05995	11.0
150.03139	2.5
151.03914	100.0
153.05495	4.3
153.70514	1.3
161.05983	6.7
162.03146	4.3
163.03871	14.4
163.07597	2.1
165.05495	12.1
167.07112	1.5
168.05711	2.3
175.04068	1.8
177.05496	53.9
178.06271	10.6
181.05013	10.5
190.06227	1.3
191.07048	10.1
193.04994	10.9
195.06537	3.1
196.05228	2.5
197.05988	1.6
198.06696	1.5
205.04977	9.7
211.07584	3.0
214.06093	1.3
221.04478	6.3
227.03380	1.5
227.07085	2.7
228.07870	2.0
238.06288	1.6
239.07018	11.3
241.08757	3.1
242.05760	5.5
252.04080	1.4
255.06670	1.8
256.07489	1.8
257.08105	6.7
266.05829	2.3
267.06564	9.5
269.08221	2.1
271.09454	1.8
273.11246	3.9
284.33685	1.4
285.07364	1.8
295.05948	13.3
299.09091	4.2
301.10501	1.6
312.06171	1.7
313.07132	1.3
315.08539	5.5
327.08655	11.9
345.09433	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	345.0971
Annotation	F390B
Peak:m/z	Relative Intensity
53.03927	0.8
54.61250	0.8
55.01858	1.4
55.05510	1.8
56.96557	1.0
57.16007	0.7
57.39084	0.8
65.23520	0.7
67.05497	3.1
68.99780	2.3
69.03418	1.5
69.07050	2.7
70.70296	1.9
71.05000	1.0
79.05479	3.1
81.03417	0.8
81.07070	4.5
83.08588	1.0
85.02914	1.7
85.06530	1.0
91.05466	3.0
93.07054	4.1
95.04949	3.0
95.08606	4.4
97.02901	1.6
98.97602	1.6
103.05415	0.9
105.03394	0.9
105.07014	3.5
107.08595	3.7
109.06528	1.9
109.10152	2.3
115.05441	1.4
119.04875	0.8
119.08573	3.3
119.49235	0.8
121.06485	1.1
121.10136	2.9
125.09613	1.5
127.03857	0.7
128.06180	0.7
131.04982	0.8
131.08562	1.6
132.41859	0.8
132.74643	0.8
133.10120	3.0
135.04437	6.0
135.11717	1.2
137.05936	2.3
142.07758	1.3
143.08548	1.6
145.06505	1.0
145.10141	1.5
147.08046	1.3
147.11713	1.7
149.09644	1.4
151.03897	14.7
152.01089	1.4
157.10106	1.3
158.07268	2.8
159.11642	1.3
161.05983	1.3
167.03447	4.4
169.10167	1.0
171.11639	1.3
173.11707	0.9
173.13232	0.8
175.15042	0.8
176.04570	0.8
177.00723	1.2
177.05499	1.2
182.03700	1.1
183.02866	1.0
185.05995	0.9
186.06732	2.7
187.14874	1.4
191.07065	1.2
198.06792	1.1
199.03976	0.9
201.05524	2.0
201.09106	1.2
201.16312	1.0
203.06992	2.8
205.05005	2.5
210.03107	1.9
214.06250	28.6
215.06944	1.0
219.06528	1.1
225.05449	14.3
226.05988	1.2
227.07101	2.2
229.04909	0.9
229.08653	5.6
229.16133	1.0
234.57582	0.8
241.05186	0.8
241.08580	2.1
242.05737	15.0
243.06538	0.9
245.08199	4.0
249.87846	0.8
253.04964	27.2
257.08093	48.9
270.05188	2.5
281.04428	2.5
285.07581	100.0
286.07770	2.1
298.04688	3.9
299.08875	1.2
301.09805	1.6
313.07071	94.8
314.07367	2.3
327.19485	0.8
345.05743	1.2
345.09476	4.6
345.13333	3.3
345.16635	0.8
345.20413	2.8
345.24142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0972
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
51.04903	0.5
52.41039	0.4
65.03916	0.5
67.05507	0.5
69.07052	0.5
70.58149	1.4
79.05498	0.5
80.02635	0.4
81.07059	1.3
83.08562	0.4
85.02908	0.4
91.05487	0.7
92.02630	0.5
93.07033	0.5
95.08591	0.8
97.31133	0.4
107.05018	0.5
107.08604	0.5
108.02100	1.3
119.04957	1.4
121.10177	0.5
123.04488	0.6
124.01432	0.3
125.06028	0.7
133.02873	1.1
135.04430	0.8
137.02316	1.2
138.03131	0.8
148.05209	3.5
149.05995	1.1
151.07559	0.8
152.01041	4.0
153.01810	2.2
153.05450	1.1
157.06433	0.6
158.07307	0.7
163.04034	1.0
164.04776	0.8
166.02666	0.6
167.03398	6.6
168.05722	0.7
169.06488	0.6
170.02132	1.1
171.04433	1.1
175.03900	4.4
177.05600	0.4
178.06270	1.3
179.07019	0.4
185.05907	0.7
186.06743	3.0
192.04176	0.5
193.05022	0.5
195.04428	0.5
196.05238	1.1
197.05972	1.1
198.06807	0.5
199.03911	1.7
201.09021	0.5
205.05034	0.9
208.03682	0.5
211.07500	0.5
212.07271	0.4
213.05458	1.8
214.06342	2.5
216.04277	0.4
217.05006	0.9
224.04636	0.4
225.05418	2.3
227.03395	1.2
229.08755	0.9
231.06514	0.6
239.07056	0.6
241.04965	3.1
242.05727	6.9
243.06648	1.2
252.04179	1.1
253.04938	3.5
254.05688	0.5
255.02855	2.6
256.07315	1.4
257.08026	2.5
259.06104	0.9
268.03665	0.6
269.04477	2.4
270.05234	8.7
271.06091	0.8
281.04324	1.0
283.02466	2.7
284.06836	5.0
285.07559	12.1
286.04755	0.7
287.05524	1.7
289.10593	0.7
297.04068	0.7
298.04739	14.6
301.07138	1.8
302.07849	0.7
311.05478	0.7
312.06302	2.2
313.07092	8.6
314.04306	0.7
314.07895	0.6
315.04974	1.8
317.10132	0.8
329.06583	4.9
330.07339	10.4
345.09702	100.0
346.09961	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	345.0971
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05500	0.6
66.20903	0.4
69.07053	0.8
69.52374	2.2
69.52776	0.7
77.09587	0.4
81.07056	2.5
85.06541	0.8
91.05482	0.8
93.07028	0.8
95.08637	1.0
98.21474	0.6
99.08092	0.5
107.08631	0.7
109.10143	1.0
118.04167	1.2
119.04952	1.0
123.00763	0.5
123.11684	0.4
137.02353	2.1
137.05997	1.2
138.03120	1.5
139.05412	0.4
141.06979	0.9
147.04390	1.2
149.02356	3.7
149.13272	0.5
151.00252	0.6
152.01059	2.0
153.01846	4.7
153.05472	0.9
157.06512	1.0
163.03889	0.7
164.04700	5.2
165.01840	2.9
166.02632	1.2
167.03416	4.0
167.04768	0.6
168.05759	0.7
169.06442	0.6
174.03171	0.4
177.05415	0.6
177.16371	0.6
181.06459	0.6
182.07292	0.8
184.05197	0.6
185.05995	1.5
186.06807	0.7
196.05252	1.0
197.06055	1.0
198.06706	0.6
199.03868	1.1
200.04671	0.5
209.05847	0.9
210.06865	0.6
212.04715	1.0
213.05501	4.4
214.06232	1.1
216.04227	0.8
217.04959	1.0
223.04205	0.4
224.04720	0.8
225.05402	1.4
226.06219	0.8
227.03455	1.0
227.07043	3.7
228.07729	0.5
231.06531	1.2
237.05499	0.6
238.06343	0.8
239.06998	0.7
240.04156	0.9
241.04982	7.0
242.05759	4.3
243.06590	0.7
252.04179	0.4
253.04968	1.1
254.05745	1.0
255.02992	2.9
255.06512	3.0
256.07321	6.7
257.07944	0.5
259.05896	0.7
266.05774	0.6
267.02835	0.5
268.03668	0.7
269.04477	4.2
270.05249	8.9
271.05823	0.5
282.05249	1.8
283.02518	0.8
283.05862	1.0
284.03638	0.5
284.06796	9.4
285.07599	4.8
286.04886	0.5
287.05511	1.6
294.05396	0.5
297.03992	0.8
298.04739	3.2
299.05603	0.9
300.02625	1.1
301.07077	0.6
302.17413	0.5
309.27997	0.5
312.06311	9.7
313.07025	3.5
313.47620	0.4
315.05066	3.3
329.06445	0.9
330.07355	17.8
345.09702	100.0
346.10095	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	345.097
Annotation	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.67799	0.3
53.03946	0.7
55.05504	0.5
56.24365	0.3
65.03928	0.5
67.01865	0.5
67.05489	0.6
68.99799	0.5
69.03428	0.7
69.07061	0.8
73.85419	0.4
79.05499	0.9
80.02654	0.8
81.03425	0.5
81.07063	1.8
91.05492	0.7
93.07064	1.2
95.04978	1.0
95.08606	1.1
97.02877	0.5
98.97583	0.6
105.07037	0.7
107.04951	0.5
107.08627	0.7
108.02113	1.9
109.02878	0.8
109.06527	0.5
109.10121	0.6
117.06987	0.4
119.04967	2.7
119.08623	0.5
121.02895	0.5
121.06502	2.4
121.10151	0.7
123.04450	1.9
123.11677	0.5
124.05280	0.5
125.02391	0.4
128.06221	0.4
129.06953	0.4
133.02869	1.1
133.10144	0.7
134.03658	0.6
135.04437	1.7
136.01566	0.5
137.02296	0.8
137.05937	2.6
141.06845	0.4
145.06529	0.5
145.10121	0.5
147.04466	0.4
147.11703	0.6
148.05185	3.8
149.05983	4.3
150.06798	0.5
151.03983	2.6
152.01030	1.3
153.01817	1.6
153.05482	1.5
154.02591	2.2
155.02295	0.5
157.06509	0.7
159.11659	0.5
161.06024	0.5
162.03137	2.9
163.03865	4.5
164.01060	0.5
164.03651	2.0
165.01859	0.6
165.05486	1.1
166.02576	0.5
167.03427	2.9
168.05693	0.5
169.04977	1.2
169.06419	0.6
175.03905	7.0
177.05461	0.8
179.03432	2.3
181.01332	2.9
181.04948	0.4
182.02103	2.5
183.03044	0.4
183.87996	0.4
185.05943	2.3
186.06795	0.8
187.07602	0.5
197.04442	6.2
197.06021	0.8
199.07594	0.8
200.03195	0.5
200.08374	0.7
203.07063	0.9
211.07559	0.7
213.05496	2.8
214.06230	1.1
224.04752	0.7
225.05510	0.8
227.06995	1.4
228.07838	0.8
229.08621	1.2
231.06535	0.7
239.07155	0.7
240.04143	0.4
241.04942	2.7
242.05760	1.1
243.06560	7.5
244.03830	0.5
245.08150	1.0
252.04236	0.4
253.04709	0.4
255.06569	0.4
256.07321	1.3
257.03604	0.4
257.08124	2.2
258.05478	0.6
259.06003	3.8
260.46420	0.4
269.04504	1.8
270.05264	0.8
271.06097	2.2
273.07617	3.4
274.08392	0.9
283.06091	1.3
284.06802	6.1
285.07593	8.4
286.04974	0.4
286.08313	1.7
287.05389	1.5
287.08295	0.5
289.07529	0.6
289.10709	11.3
297.04010	0.5
299.05515	0.6
301.07074	4.6
302.07904	1.1
311.05475	0.8
312.06299	7.5
313.06927	1.1
313.10635	0.6
315.04825	1.4
316.05786	1.3
316.09512	1.5
317.10251	3.6
327.08667	0.7
329.06549	9.7
330.06931	6.4
345.09653	100.0
346.10059	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0972
Annotation	Araneol
Peak:m/z	Relative Intensity
55.05497	0.6
56.96555	0.4
58.53180	0.3
62.04798	0.4
66.68719	0.4
67.05508	0.7
68.84238	0.4
69.03422	1.1
69.07069	0.8
69.26629	1.9
69.27058	1.6
71.04963	0.4
79.05492	1.1
81.07059	2.0
83.08607	0.4
85.06565	0.8
86.82978	0.3
91.05489	1.1
93.07038	1.2
95.04974	0.5
95.08626	2.0
97.06523	0.6
105.03353	0.5
105.07018	1.1
107.04961	0.8
107.08587	1.1
108.02065	0.9
109.10166	0.8
111.08078	0.6
118.04179	0.6
119.04937	1.1
119.08577	1.0
121.02878	0.4
121.06483	0.7
121.10151	0.7
123.00797	0.8
123.08057	0.5
123.08976	0.3
123.11733	0.6
124.28437	0.4
125.02333	0.6
129.07004	0.8
129.39249	0.3
129.40250	0.4
137.02333	2.3
137.05988	1.3
138.03142	1.2
145.10175	0.5
147.04408	1.0
147.11737	0.8
148.05219	0.6
149.02303	3.7
149.03314	0.4
149.13257	0.7
151.00279	0.5
151.03903	1.1
152.01082	2.0
153.01846	5.1
153.05460	0.6
157.06480	0.9
158.07346	0.4
159.08075	0.5
161.06058	0.8
163.03934	1.3
164.04692	4.4
165.01834	3.0
165.07011	0.5
166.02602	1.7
167.03421	5.0
167.14200	0.4
168.05685	0.7
169.06454	0.7
171.04378	0.8
175.03928	2.6
177.05441	0.6
178.06244	0.9
181.06517	1.1
182.07256	0.8
183.02950	0.4
184.03580	0.4
185.06006	1.7
186.06775	1.3
191.07129	0.6
193.05008	0.6
194.05403	0.4
195.04436	0.5
196.05124	0.6
197.05969	1.2
199.03900	1.4
199.07469	0.4
201.05540	0.5
205.04985	0.9
209.05969	0.4
210.06764	1.0
211.07610	0.5
212.04759	1.1
213.05463	3.8
214.06209	1.8
216.04204	0.9
217.04948	1.3
224.04758	0.7
225.05475	1.7
226.06265	0.9
227.03369	1.7
227.07031	2.8
228.07864	0.5
231.06508	1.2
237.05440	0.5
238.06244	1.0
239.07135	0.7
239.11879	0.9
241.04956	6.4
242.05696	3.9
243.06479	0.9
244.03717	0.5
251.03127	0.5
252.04187	0.4
253.05049	2.1
253.08765	0.5
254.05664	0.6
255.02957	2.6
255.06567	3.0
256.07281	6.5
257.08026	1.6
259.06091	1.0
266.05673	0.6
267.11252	1.2
269.04428	2.9
270.05188	4.8
281.04465	0.8
283.02460	1.2
283.05817	0.6
284.06750	7.2
285.07608	6.0
286.04678	0.6
287.05594	1.0
289.10730	0.5
294.05206	0.5
295.06015	0.6
295.10547	0.7
297.03961	0.8
298.04755	5.5
299.05423	0.6
299.08823	0.5
300.02759	1.2
301.07077	0.9
311.05548	0.5
312.06293	9.9
313.07056	3.6
313.10831	0.6
315.04953	3.2
327.08618	1.0
329.06458	1.1
330.07336	18.3
331.08051	0.5
345.09702	100.0
346.09970	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0971
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05499	0.7
55.23196	0.4
67.05494	1.1
69.07055	1.5
69.52227	2.9
79.05479	0.7
79.31699	0.3
81.07059	3.5
83.08608	0.5
85.06543	1.6
90.66428	0.4
91.05479	0.9
91.59248	0.4
93.07040	1.4
95.01307	0.5
95.08630	2.0
99.08108	0.4
104.23387	0.4
105.07005	0.4
107.08611	1.0
109.10148	1.1
118.04147	1.0
119.04925	0.8
119.08588	0.6
121.10120	0.7
123.00800	0.9
128.06230	0.4
130.58777	0.4
133.10199	0.4
137.02341	2.9
137.05989	1.5
137.13361	0.4
138.03142	1.3
141.06944	0.5
146.03659	0.5
147.04425	1.1
149.02356	4.4
149.13293	1.0
151.00288	0.6
152.01062	1.7
153.01833	5.4
153.05496	1.2
157.06514	0.5
163.03935	0.8
164.04695	5.7
165.01857	3.1
166.02672	1.2
167.03435	3.5
168.05775	0.8
169.06464	0.7
170.02127	0.6
171.04443	0.6
175.07985	0.4
176.07143	0.4
176.10760	0.6
181.06587	0.6
182.07281	0.5
184.03648	0.6
184.05185	0.9
185.06000	1.6
186.06740	0.5
191.03438	0.6
195.17450	0.8
196.05270	0.6
197.05956	1.1
198.49377	0.4
199.03900	1.5
201.05478	0.5
205.10950	0.4
209.05917	0.7
210.06760	1.1
211.04010	0.5
211.07550	0.6
212.04712	0.7
213.05476	5.2
213.18567	0.6
214.06303	0.8
216.04251	0.7
217.04994	1.5
224.04683	0.8
225.05489	1.3
226.06346	0.5
227.03421	1.2
227.07021	3.6
231.06537	0.9
232.16238	0.4
237.05641	0.5
238.06326	1.5
239.06981	0.8
240.04185	0.9
241.04985	7.3
242.05748	5.0
243.06578	0.7
244.03679	0.6
245.04614	0.7
253.04948	1.0
254.02022	0.5
254.05734	1.1
255.02933	3.8
255.06490	4.1
256.07309	7.8
257.07965	0.9
259.05997	1.0
266.05777	0.7
267.02908	0.8
268.03653	0.9
269.04474	3.7
270.05252	7.0
271.06003	0.6
282.05344	1.3
283.02689	0.5
283.06021	1.0
284.03638	0.7
284.06796	8.2
285.07550	4.6
286.04797	0.8
287.05551	1.7
294.05020	0.5
295.05777	0.5
297.03955	0.7
298.04727	2.7
299.05432	1.0
300.02658	1.7
301.07175	1.7
302.17569	1.0
312.06296	10.6
313.07184	3.4
315.04974	3.4
329.06659	1.2
330.07343	18.4
345.09714	100.0
346.09866	1.9
368.01523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0972
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05501	1.1
60.49760	0.6
65.03952	0.8
67.05512	1.6
69.03426	0.8
69.07071	1.5
71.02052	0.8
71.02401	0.8
79.05498	0.9
81.03409	1.1
81.07064	2.4
84.03856	0.7
91.05484	1.7
93.07055	1.5
95.04960	1.4
95.08615	1.6
97.02893	0.9
97.06541	0.8
105.07034	2.1
107.05020	1.0
107.08624	2.0
108.02100	1.3
109.06525	0.7
109.10167	1.5
117.06966	0.9
119.04902	1.8
119.08540	1.2
121.06565	1.1
125.09608	0.7
133.02841	1.3
135.04446	1.5
137.02356	0.9
137.05986	1.7
148.05174	2.8
149.02350	1.0
149.05983	1.5
149.13347	0.9
151.03900	1.2
151.07558	1.2
152.01039	3.5
153.01826	2.8
153.05437	1.1
158.07249	1.0
160.84943	0.7
161.05998	1.1
163.03886	1.9
164.04610	0.9
165.05618	1.3
167.03412	7.5
167.07083	1.2
168.05779	0.8
169.04958	0.7
169.06514	1.0
170.02161	1.4
171.04486	1.3
175.03909	4.8
178.06340	2.3
183.02850	1.1
183.04404	2.0
184.05301	0.8
185.05939	1.0
186.06763	3.0
189.05490	1.4
191.03336	0.9
193.05061	1.0
196.05392	1.0
197.06169	0.8
198.06888	1.5
199.03915	2.1
200.41948	0.7
205.04982	1.0
207.06511	1.0
213.05521	1.3
214.06297	2.6
217.05060	1.8
225.05519	2.4
227.03412	1.4
229.08455	0.9
237.05571	0.7
239.03470	3.8
239.07083	1.2
241.04948	1.9
241.08624	1.6
242.05728	8.4
243.06677	1.1
252.04208	1.3
253.05038	3.7
255.02902	2.6
257.08078	3.9
259.06097	1.0
268.03763	0.9
269.04568	1.4
270.05322	6.3
271.05865	0.8
281.04474	1.2
283.02341	1.7
284.06842	2.4
285.07550	16.5
286.04785	1.4
287.05475	2.0
298.04727	15.1
299.05530	3.4
302.07904	0.9
312.06161	2.1
313.07065	9.7
313.10587	1.3
315.04956	2.1
317.10178	1.7
327.05032	9.2
329.06506	2.0
330.03622	1.0
330.07285	7.3
345.09689	100.0
345.18701	2.3
346.09964	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	345.097
Annotation	Scillavone A
Peak:m/z	Relative Intensity
53.03936	1.4
54.83811	0.9
55.01886	1.2
56.96566	1.6
63.73533	0.8
65.03943	1.3
66.53191	0.8
67.05484	2.5
68.99786	4.5
69.03437	1.8
69.54578	2.2
69.54986	3.3
71.01336	2.4
71.04964	0.8
79.05489	5.3
79.50500	0.8
81.03423	1.5
81.07046	2.2
82.48264	0.8
83.04932	1.0
85.02928	0.9
91.05486	2.8
93.03381	1.0
93.07049	2.1
94.04177	1.8
95.04961	2.7
96.05774	0.9
97.02853	1.4
98.20744	1.8
98.97574	2.0
105.07006	2.3
107.04949	2.9
107.06748	0.9
107.08551	0.9
108.05727	3.1
109.02875	1.7
109.06532	2.9
109.10155	2.4
111.00851	1.0
111.04440	1.2
112.91425	0.7
117.07156	0.9
119.04954	1.0
121.02872	3.3
121.06516	6.4
121.10091	1.2
123.04411	4.2
124.05246	7.6
125.06021	1.6
125.09554	1.3
126.58031	1.0
131.04958	0.9
133.06480	1.7
135.04431	7.6
136.05194	3.4
137.05937	1.9
139.03903	34.5
139.07542	18.7
140.76593	0.8
147.04428	1.4
148.05167	3.1
149.02339	0.9
149.05981	2.3
150.06732	1.3
151.03859	2.4
151.07545	19.5
152.04666	1.9
153.01831	30.3
155.07033	13.3
161.06015	3.7
162.06676	2.5
163.03909	100.0
164.04550	1.4
165.01678	0.8
165.05418	1.3
165.06693	0.8
165.09088	1.7
167.03387	1.1
167.07048	16.8
176.04678	1.9
177.05466	18.6
178.06252	5.9
179.03432	2.4
179.05434	2.0
179.07039	41.4
181.04965	1.6
183.06584	1.2
191.03410	15.8
191.07028	35.9
192.07817	67.4
193.08463	2.5
198.06844	1.1
205.04967	1.1
207.02815	0.9
214.06250	2.3
216.07808	2.1
219.06473	0.9
229.07608	3.0
247.08563	2.1
253.05028	2.3
255.06432	1.2
257.08011	2.0
267.06448	1.9
267.09033	2.0
281.04443	1.2
283.06122	1.5
285.07452	2.1
285.10156	1.3
287.05682	0.9
296.06790	1.8
299.05939	1.0
299.09003	4.3
311.05368	0.9
317.10205	12.2
327.08627	21.0
327.14276	3.1
330.07349	2.2
345.09680	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	345.0972
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.57440	0.2
55.05507	0.7
56.89261	0.3
57.03440	0.3
65.03936	0.4
67.05489	0.3
69.03412	0.4
69.07059	0.7
69.33875	0.3
71.56638	0.5
77.45610	0.3
77.70028	0.2
79.05518	0.4
79.87391	0.3
81.03392	0.5
81.07043	0.9
85.06523	0.4
91.05463	0.6
92.02644	0.3
93.07043	0.5
95.04972	0.6
95.08600	0.4
97.02899	0.3
97.06530	0.3
97.34150	0.3
98.25128	0.3
99.04477	0.3
102.05551	0.4
105.07050	0.6
105.83391	0.3
107.04930	0.4
107.08598	0.4
108.02113	0.4
109.02851	0.4
109.10147	0.5
118.04154	0.6
119.04956	0.8
123.00816	0.4
128.06187	0.3
130.05164	0.3
133.02850	0.4
134.03577	0.3
137.02345	2.0
137.05959	1.2
138.03120	1.1
142.03201	0.7
143.08546	0.3
146.03673	0.4
147.04433	0.7
148.05171	0.7
149.02338	2.3
149.05945	0.4
151.00273	0.6
151.03876	0.5
152.01048	1.8
153.01845	4.0
153.05463	0.6
157.06517	0.8
161.05943	0.4
163.03914	0.9
164.04697	3.7
165.01781	1.7
166.02646	1.1
167.03442	3.6
168.05698	0.9
169.06415	0.6
170.02643	0.4
171.04393	0.8
175.03922	1.0
177.05492	0.4
178.02740	0.4
178.06274	0.4
179.47031	0.3
181.05040	0.5
181.06422	0.5
182.07243	0.7
183.02863	0.4
183.04346	0.4
184.05232	0.5
185.05940	2.3
186.06743	0.8
193.04909	0.4
196.05156	0.8
197.04335	0.4
197.05994	1.2
198.06615	0.4
199.03932	1.2
205.04939	0.5
209.05936	0.5
210.06735	0.8
211.07526	0.5
212.04633	0.7
213.05498	3.8
214.06293	1.4
216.04202	0.5
217.04913	1.0
222.06723	0.3
224.04700	0.6
225.05437	1.6
226.06255	0.7
227.03368	1.3
227.06984	2.1
228.04153	0.4
229.08649	0.5
231.06506	1.0
237.05484	0.3
238.06296	0.8
239.03429	0.5
239.07103	0.5
240.04155	0.8
241.04977	5.8
242.05750	4.1
243.06400	0.9
244.03557	0.4
252.04195	0.9
253.04993	1.4
254.05759	1.0
255.02914	2.4
255.06499	2.6
256.07294	4.9
257.08026	1.1
258.05164	0.5
259.05945	1.2
266.05441	0.4
267.02939	0.6
267.06555	0.7
268.03632	0.6
269.04410	3.3
270.05252	5.5
271.05975	0.6
273.07675	0.4
281.04700	0.3
282.05310	1.1
283.02420	1.0
283.06033	0.9
284.03531	0.4
284.06772	8.3
285.04276	0.6
285.07538	5.5
286.04691	0.5
287.05505	1.7
295.06042	0.4
297.03964	1.2
298.04715	4.1
299.05499	1.0
300.02710	1.2
300.06140	0.4
301.07068	2.2
302.17581	0.7
312.06287	8.9
313.07065	4.8
314.04239	0.5
315.04977	3.2
316.05774	0.6
329.06549	3.9
330.07336	14.5
345.09695	100.0
346.10049	2.5
346.19995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0971
Annotation	Trypacidin
Peak:m/z	Relative Intensity
51.75679	0.9
53.03926	0.8
55.01869	1.3
55.05520	0.9
56.96579	1.6
62.86958	0.7
67.05497	1.9
68.99781	1.4
69.77613	4.7
70.86321	0.7
75.99995	0.7
77.03922	1.6
79.05501	4.7
81.03417	1.3
81.07047	3.4
82.38271	0.7
83.08614	1.0
85.18108	0.8
91.05477	5.4
93.07034	2.2
95.04955	4.1
95.08632	1.5
96.02103	1.0
97.01633	0.8
97.02925	1.2
97.06503	1.0
98.97594	1.5
105.03392	3.6
105.07034	2.1
107.04949	3.3
107.08584	1.3
109.06517	3.0
109.10194	1.0
111.04461	1.8
119.04936	6.3
119.08571	1.4
121.06487	1.7
121.10152	1.1
122.03632	0.9
123.04439	3.0
125.06077	1.1
129.07024	1.0
131.08615	0.9
133.02856	70.9
133.10109	0.9
135.04402	8.4
135.11736	0.9
137.02344	1.2
137.05989	10.9
138.03107	1.4
139.03897	3.7
141.05490	0.8
145.10112	1.3
147.04398	6.6
147.11673	0.9
149.05992	2.4
150.03122	1.3
151.03914	6.3
151.07576	1.0
152.01016	1.0
152.04697	4.3
153.05447	1.8
157.06595	1.0
157.10164	1.0
159.11699	1.0
162.03108	1.3
163.03906	20.7
165.05484	79.4
166.02602	1.2
167.03398	10.1
168.00529	0.9
169.01424	2.1
177.05490	12.1
178.02623	2.8
178.06253	50.1
179.03397	0.9
181.05017	4.7
183.06624	1.8
185.00868	1.7
185.05991	0.9
193.04976	31.4
199.07535	1.2
205.05040	1.2
213.05496	1.5
216.34210	0.8
223.06018	1.1
225.05493	2.3
227.07057	2.3
241.05029	1.2
253.04918	1.9
255.06404	3.2
257.04501	1.3
257.08118	3.2
259.05942	2.1
259.09631	1.1
269.04459	3.6
270.05173	2.0
271.05960	1.3
285.04605	1.2
285.07547	5.7
286.04654	1.2
287.05508	10.3
287.08707	1.3
297.03934	2.2
299.05609	2.4
301.07285	1.3
312.06311	2.7
313.06995	6.9
315.04910	8.2
315.08121	1.5
317.10208	20.0
327.05209	1.0
327.08743	2.7
329.06519	1.9
330.07333	13.3
345.09698	100.0
346.10065	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0972
Annotation	Trypacidin
Peak:m/z	Relative Intensity
55.01875	0.8
55.05498	0.8
56.96560	1.2
63.40912	0.7
67.05508	1.1
67.81970	0.7
68.48981	0.7
68.99788	1.8
69.07066	1.0
69.61568	0.6
77.03926	1.6
78.18909	0.7
79.05492	3.4
81.07045	2.1
85.02880	0.8
91.05477	4.7
93.07058	2.2
95.04964	2.9
95.08604	1.5
97.06513	1.0
98.21533	1.3
98.97599	1.2
104.63413	0.7
105.03388	2.0
105.07021	1.5
107.04925	2.0
107.08593	1.1
109.06531	1.4
109.10124	1.3
111.04432	2.1
119.04950	4.4
119.08583	1.4
121.06516	2.4
122.03638	1.1
123.04473	3.3
123.08107	0.7
123.11687	0.7
129.56197	0.6
133.02863	59.4
135.04456	6.3
137.02386	1.7
137.05972	7.3
138.03116	0.9
139.03902	3.3
147.04398	5.5
148.05206	0.8
149.05989	2.6
150.03180	0.8
151.03885	4.1
152.01053	1.0
152.04680	4.4
153.01782	0.9
153.05478	2.0
159.11635	0.8
161.06012	1.7
163.03914	17.1
165.01801	1.4
165.05489	61.5
166.02620	1.3
166.99846	0.7
167.03416	7.8
169.01404	3.2
177.05493	9.0
178.02791	3.6
178.06258	43.0
179.03366	1.4
181.04982	4.0
181.06313	0.8
182.06935	0.8
183.06564	1.3
184.05251	0.7
185.00887	1.9
185.05933	0.9
193.01300	1.4
193.04985	23.7
193.58823	0.6
195.04486	1.2
199.07590	1.3
203.07011	1.2
205.00597	0.6
205.04945	1.5
209.02194	0.6
212.04678	0.9
213.05460	2.2
225.05505	2.1
226.12259	0.9
227.07076	1.8
231.06667	0.9
241.05028	1.4
242.05656	0.9
243.06548	0.8
244.03760	1.2
253.04997	1.6
255.06509	1.5
257.04507	1.8
257.08081	2.1
259.06229	3.5
259.09592	2.4
269.04468	3.0
270.05194	1.1
271.05954	1.5
283.06189	0.9
284.06815	0.8
285.04214	1.3
285.07608	5.0
285.10522	0.8
286.04645	0.9
287.05521	16.2
287.08786	1.7
297.03925	2.0
298.04608	1.3
299.05518	2.0
301.03769	0.7
311.05286	1.0
312.06293	2.3
313.07141	6.2
314.04224	1.9
315.04968	12.8
315.08554	0.8
316.06107	1.0
317.10229	17.8
327.08688	2.2
329.06595	4.4
330.07339	23.7
331.07556	0.9
345.09695	100.0
346.10104	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	345.0971
Annotation	3',8-Dihydroxy-4',6,7-trimethoxyisoflavone
Peak:m/z	Relative Intensity
55.67959	0.2
57.03406	0.6
61.17079	0.2
67.34284	0.3
67.62756	0.3
68.99770	0.6
71.57748	0.4
79.05479	0.3
81.07023	0.5
85.94505	0.2
93.07031	0.4
95.04961	0.3
107.04922	1.0
115.15218	0.2
119.08582	0.4
121.06513	0.3
123.04379	1.1
132.05688	0.3
134.36603	0.3
135.04388	0.8
139.03871	0.5
139.07513	0.4
147.04347	0.3
147.08170	0.3
149.02332	0.4
149.05957	0.6
151.03888	0.6
151.07454	0.3
153.01839	3.3
155.04796	0.3
160.05225	0.4
161.02307	0.6
161.05972	1.0
163.03906	3.2
164.04950	0.3
167.07040	1.6
175.04028	0.3
177.05447	0.6
178.02690	0.3
178.06270	7.3
179.03349	1.0
179.07111	0.3
185.06010	0.3
191.03381	0.6
191.06990	0.3
194.22269	0.3
197.05971	0.3
199.03957	0.4
200.04713	0.3
201.05449	0.4
203.03455	1.3
203.07030	0.4
204.04137	0.9
205.05016	2.7
213.05447	1.0
216.04160	4.5
217.04866	0.8
221.04312	0.6
227.03464	2.2
228.04160	0.5
229.05099	0.5
231.02907	0.8
231.06500	0.8
241.05034	1.6
243.06522	2.0
244.03735	3.8
245.04465	0.3
253.05006	1.0
255.02908	13.7
256.03537	0.3
259.06064	6.4
268.03653	0.4
269.04507	4.6
270.05215	0.4
271.05972	0.9
272.03021	1.3
281.04373	0.9
283.02341	2.9
283.06003	2.1
284.03186	1.3
284.06750	1.3
285.03882	0.7
285.07516	0.5
286.08109	0.4
287.05530	16.3
287.08344	0.6
288.05679	0.3
297.03995	3.3
298.04706	1.0
299.05518	3.5
300.02670	3.7
301.07068	0.6
302.07626	0.7
311.05447	0.4
312.06235	2.0
313.07095	2.4
314.07773	0.9
315.05005	54.9
316.05432	0.8
317.09985	0.5
325.05328	0.6
329.06464	0.9
330.07352	27.2
331.07739	0.4
345.09695	100.0
346.09973	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.4
55.01864	8.8
55.05503	22.6
56.96567	23.9
57.03425	16.4
61.69999	7.4
61.89748	7.8
67.05502	45.4
69.07069	83.6
70.98672	6.8
71.05012	38.2
71.58216	11.1
79.05490	58.0
81.03416	31.7
81.07063	71.6
83.04988	12.9
91.05492	52.2
92.21663	8.8
93.07047	43.5
95.04984	50.2
95.08604	47.1
97.02901	24.1
97.06538	100.0
98.97586	10.5
99.08079	15.6
105.03389	25.6
105.07025	42.3
105.68297	7.8
107.04924	13.1
107.08601	47.0
108.08907	9.0
109.06562	20.7
109.10136	20.6
115.07551	44.1
117.07018	13.7
119.08580	34.9
121.06523	12.8
121.10117	21.9
131.08565	29.6
133.10156	26.4
135.11749	9.8
137.05997	14.0
138.06296	8.8
145.10127	21.6
147.11668	12.4
149.09605	10.0
151.03914	32.9
152.04236	10.0
159.08055	12.2
159.11710	16.6
161.06010	41.6
162.06332	49.8
168.07448	10.0
175.11278	8.3
177.09084	10.3
177.12708	8.1
191.07056	11.2
192.07518	18.7
193.08226	24.1
195.13794	10.2
242.05391	8.8
243.81848	8.1
258.04813	11.4
280.46368	9.4
286.07639	11.0
291.19543	20.2
298.07941	9.7
311.44229	9.4
313.06998	18.0
314.07422	22.9
316.08899	16.1
329.09888	12.2
344.08401	50.9
344.12106	98.8
344.18695	39.0
345.09863	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.05516	8.8
56.96563	4.2
57.03441	5.9
64.50582	4.5
67.05503	22.4
69.07076	24.7
70.58617	13.0
71.04993	12.3
79.05495	26.8
81.03432	12.7
81.07060	23.1
83.04966	4.3
85.06527	6.2
91.05486	16.7
93.07063	16.8
95.04976	25.6
95.08639	9.0
97.06532	100.0
105.07057	13.9
107.04928	7.8
107.08595	13.3
109.06536	7.6
112.50024	4.1
115.07578	14.8
119.04973	4.8
119.08598	6.8
121.10147	6.2
123.08024	4.2
131.08572	11.9
133.02864	25.3
133.10129	10.8
135.11711	4.7
137.05992	9.8
143.08571	8.3
144.79239	4.5
147.04384	4.9
151.03938	11.5
152.01056	9.9
152.04532	7.9
155.56879	4.7
159.11702	9.5
161.06084	9.8
162.06357	19.8
163.03893	6.5
165.05510	21.8
167.03412	16.7
167.07016	9.4
177.05490	13.0
177.12787	9.5
178.06233	12.6
178.37044	4.7
179.07025	4.4
181.57332	4.4
191.07100	5.4
192.07764	6.8
193.05032	24.7
213.05254	4.7
254.05438	7.5
255.06543	8.1
273.18784	4.5
287.09222	10.7
289.76453	4.2
298.57776	5.4
313.07065	7.2
314.07477	21.5
317.10309	35.9
321.05914	4.5
323.09650	6.0
329.09631	6.6
336.20224	5.2
344.08383	18.2
344.12143	34.9
344.18597	10.6
345.09790	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49950	0.3
55.01876	2.5
55.05502	1.8
56.05032	0.8
56.96568	6.3
57.03443	2.2
58.06614	0.8
59.05003	0.7
61.02929	1.6
61.19907	0.4
65.03948	0.4
67.05505	0.9
68.05045	0.9
69.03432	7.6
69.07067	1.4
70.06594	100.0
70.40561	0.9
71.01351	0.5
71.04991	0.8
71.06955	0.4
72.08158	5.0
73.02924	2.3
73.06573	0.7
75.31355	0.4
79.05499	0.9
81.03416	2.3
81.07050	0.8
82.06584	5.7
83.05000	1.1
84.04510	0.9
84.08136	1.9
84.18734	0.4
84.96034	1.2
85.02907	12.0
85.06524	0.7
86.09710	1.7
87.04483	1.8
91.03943	0.5
91.05475	0.7
94.06591	0.9
95.04990	0.6
96.04481	0.4
97.02906	7.5
97.06543	0.6
98.03168	0.4
98.06042	0.7
98.09688	4.5
98.10133	0.4
98.97590	11.9
99.04461	0.9
99.08088	0.5
100.07635	0.8
100.99139	0.4
101.06025	0.4
102.05563	0.9
102.09185	2.2
102.97020	0.4
105.07034	0.5
108.08121	1.2
109.02901	1.8
110.06024	1.2
110.09692	3.7
110.97577	2.7
111.04463	0.7
111.05524	0.4
112.07609	81.1
112.99179	1.0
113.05975	0.5
113.07944	0.4
114.09159	0.5
115.03922	1.8
115.08737	0.7
116.07097	1.0
116.98625	4.6
117.10236	0.9
118.06573	0.6
119.01823	0.8
119.04943	0.9
121.06532	0.5
122.06016	0.8
123.04454	0.7
124.03978	0.7
124.07592	0.6
124.99112	0.8
125.06036	0.4
125.07067	0.5
126.09149	1.9
126.10579	0.4
127.03935	2.4
127.12313	1.7
128.02342	0.7
128.04271	0.4
128.07100	4.6
128.98624	1.8
131.00177	1.2
131.07275	0.4
133.05008	0.5
134.99643	1.1
136.07564	4.9
137.05969	1.3
137.06979	0.4
137.10721	0.8
138.05472	0.8
140.07068	30.7
141.06514	0.7
143.00156	1.4
143.07069	0.9
144.13843	1.2
145.04924	1.3
146.09688	0.7
146.99611	0.5
147.03317	0.6
147.04419	1.0
151.03883	1.1
152.04228	0.9
154.05000	0.5
155.04655	3.6
156.10193	0.8
157.01778	0.6
157.09715	0.9
158.11757	1.0
158.99641	4.4
159.03276	0.5
160.09714	1.3
161.01282	1.1
161.02783	0.4
161.04666	1.1
161.05963	2.3
162.06331	1.8
163.02638	0.7
164.05234	0.7
164.07056	3.2
164.10684	1.5
165.05389	0.5
165.06592	1.0
167.06979	0.5
167.11824	7.4
168.03505	0.4
168.06516	1.8
170.04907	0.5
170.99605	0.7
171.11311	0.4
173.01189	0.5
173.12862	5.0
174.05544	0.4
175.02763	0.9
177.00694	2.2
182.05000	1.3
182.08110	6.2
182.11729	1.9
182.99577	0.4
187.02762	0.8
188.12831	3.2
189.00685	1.4
189.04230	0.5
192.07721	1.0
193.08167	0.8
195.11397	0.5
199.10826	0.5
201.00676	0.7
201.04337	1.2
203.02322	0.5
205.05476	0.8
205.15491	4.1
207.01805	0.5
207.11223	0.6
211.05470	0.8
212.06248	13.7
212.13942	22.7
212.56450	1.1
213.00673	0.6
213.05403	0.9
214.03978	0.7
217.00011	0.5
218.06284	1.3
219.01801	3.0
219.05217	0.6
219.96188	0.4
224.05899	0.4
227.06708	1.3
227.10220	0.5
231.01755	1.3
232.04932	1.3
232.57481	0.7
233.06729	0.4
234.07512	0.6
237.02843	3.5
243.05466	0.7
247.06491	0.7
249.02916	0.6
249.06299	0.4
249.12352	0.9
250.11827	0.4
252.17044	0.5
261.03040	0.5
261.06479	0.4
267.13318	1.3
268.13049	2.2
278.10202	1.0
284.61191	0.4
309.08646	1.9
312.19211	11.1
314.07352	1.6
319.07144	0.4
319.64868	0.4
321.08386	0.7
326.17291	4.4
326.20728	0.8
329.09900	0.5
344.12726	9.4
344.18021	18.0
344.21771	49.6
345.11621	2.3
345.19968	2.2
363.09549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64261	0.4
51.45702	0.5
55.01878	1.5
55.05519	1.3
56.05044	0.8
56.96568	6.9
57.03446	4.7
60.04524	1.3
61.02921	3.3
68.05043	1.4
69.03435	9.2
69.07051	0.8
69.54808	3.7
70.06594	5.6
71.01366	0.9
71.04988	1.9
71.28671	0.5
72.08159	4.1
73.02911	3.6
79.05478	0.7
80.05009	0.5
81.03417	3.8
82.06594	3.8
83.04971	1.0
84.08150	4.4
84.96050	2.1
85.02912	20.5
86.09708	0.9
87.04467	1.9
87.05580	0.6
91.05488	8.9
94.06569	1.6
95.04967	1.2
96.04510	2.8
96.08103	1.2
97.02287	1.1
97.02885	8.1
98.06080	1.1
98.09689	8.7
98.97593	12.9
99.04452	1.6
103.05472	0.8
106.06543	0.5
107.04939	0.7
108.08114	4.3
109.02878	1.9
110.06047	0.5
110.09708	3.8
110.97592	3.1
112.07610	7.9
112.99136	1.7
115.03948	1.1
115.05044	1.2
116.07159	0.6
116.98650	4.5
119.04955	23.9
120.08131	0.8
121.06492	1.3
122.09670	0.7
123.04417	3.4
124.07611	3.2
125.10801	0.8
126.09171	4.1
127.03924	4.2
127.61411	0.6
128.07016	0.6
128.98611	2.7
130.08629	1.6
130.93275	1.2
131.00160	1.4
136.07588	55.5
137.05981	0.7
137.10759	3.3
140.07089	1.1
141.02263	0.6
142.01761	0.8
143.00114	1.3
145.01723	0.7
145.04982	3.0
146.06018	0.9
146.99631	1.6
147.03313	1.0
147.04428	2.7
148.07555	0.6
149.05948	0.6
150.09184	1.2
152.07079	0.6
155.04710	2.5
156.03311	1.5
157.09712	5.1
158.11775	1.2
158.99657	3.4
161.01222	0.9
161.06010	1.2
162.06354	1.1
164.07077	6.6
165.05493	4.6
167.11813	32.1
168.03329	1.0
170.99629	1.0
172.94354	2.3
173.01286	0.7
177.00731	1.7
178.08707	1.5
182.08139	65.9
186.04359	2.5
189.04384	0.6
190.95464	1.5
191.02347	0.6
192.07695	0.6
195.11292	2.0
198.04570	0.6
199.05420	0.7
201.00743	0.8
204.05545	0.7
212.06314	1.4
212.13953	100.0
213.14410	0.9
214.03899	1.0
215.02231	0.6
216.96976	2.1
218.06219	3.4
219.01839	3.7
219.05186	0.6
224.09155	2.3
228.05531	1.1
231.01837	0.7
232.04933	1.2
232.96454	0.8
233.06789	0.6
237.02768	3.9
242.05402	0.7
242.94810	0.6
248.99638	0.7
249.02632	0.8
253.56213	1.1
260.96005	1.7
263.06796	0.6
264.08426	0.6
302.97043	1.2
308.11133	1.1
309.08636	1.9
316.12354	0.6
320.98019	1.1
326.12418	1.3
326.17184	0.6
335.09756	0.6
337.46478	0.5
344.13181	8.8
344.18143	61.9
345.11459	1.2
345.20209	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	344.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.8
56.05023	0.8
60.04536	3.7
67.05492	2.2
69.03433	4.7
69.07068	1.2
69.61797	4.3
70.02960	2.1
70.06600	2.5
71.04984	0.7
72.08166	3.6
73.02914	2.1
75.02700	0.7
75.77612	0.6
78.03448	0.9
79.05508	3.0
80.05042	1.2
81.03412	1.0
81.06602	0.6
81.07047	3.3
82.06591	0.8
83.04993	11.9
83.08649	0.9
84.04463	0.9
84.08138	1.3
85.02915	2.6
86.09715	3.0
87.04484	1.1
87.68477	0.7
88.04001	100.0
89.04786	1.8
89.06041	26.0
91.05484	3.1
93.07051	2.7
95.04996	1.6
95.08632	1.6
97.06593	0.8
102.05535	0.8
103.05493	0.8
105.07046	4.0
106.02937	1.6
107.04942	1.5
107.08601	5.5
109.06539	5.8
111.02674	1.1
113.04286	0.8
116.07046	0.8
118.86998	0.7
119.04987	1.2
119.08580	3.4
120.08121	0.9
120.99608	1.2
121.06501	1.4
121.10178	3.8
122.02747	0.9
122.06037	0.7
123.08073	4.4
123.11714	0.8
124.03958	5.6
125.09628	1.5
131.08562	1.2
133.06514	0.9
133.08609	18.1
135.08058	1.0
136.07536	1.5
137.04227	3.3
137.05989	1.5
138.02229	2.3
139.02245	0.8
139.05827	1.7
141.03694	4.9
141.09126	1.9
147.04459	1.2
147.08112	1.0
147.11729	2.9
149.05997	0.8
149.09631	1.5
151.03851	1.3
151.07588	1.0
154.08591	0.7
155.05301	3.4
157.03244	1.4
157.06860	1.9
157.89369	0.8
159.08049	1.1
159.11719	1.3
161.05983	1.6
161.13303	1.5
162.06421	2.3
163.11221	3.0
165.09161	1.0
165.12711	4.7
171.11765	0.8
177.05431	1.0
177.11235	5.8
179.08954	1.3
179.10677	1.6
181.06833	0.9
182.02638	0.9
182.08173	3.2
183.04779	3.4
186.14139	0.8
189.12733	4.5
190.13455	1.3
191.07059	0.8
195.08432	0.8
197.10023	2.2
205.12357	1.1
207.13799	5.7
209.04030	0.8
223.13387	0.9
239.11023	6.0
239.14874	1.0
251.53831	0.7
260.87704	0.6
283.17645	0.9
314.07416	1.1
326.23380	1.9
327.20181	7.4
344.12161	2.8
344.15607	8.9
345.11682	2.1
345.15402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63535	0.5
55.01875	2.1
55.05519	1.2
56.05031	0.8
56.96579	6.7
57.03436	4.4
60.04527	1.8
61.02941	4.0
68.05046	1.4
69.03439	10.8
69.07064	0.9
69.60018	3.9
70.06598	4.2
70.98119	0.6
71.04994	1.2
72.04529	0.7
72.08160	3.0
73.02930	3.9
73.06546	0.6
81.03426	3.2
82.06593	4.4
83.01328	0.8
83.04988	1.1
84.04539	0.6
84.08147	2.9
84.96017	0.9
85.02914	18.5
87.04481	1.8
87.05574	0.9
91.03964	1.1
91.05484	9.5
94.06583	1.5
95.04977	1.4
95.07384	0.6
95.08109	0.6
96.04481	1.4
96.08144	1.3
97.02905	9.7
98.03156	0.6
98.06075	0.7
98.09698	10.4
98.97595	18.7
99.04465	1.9
100.07621	0.7
102.05544	0.7
103.05489	0.8
106.06545	0.9
107.04967	0.8
108.08136	4.2
109.02887	1.5
110.06024	0.7
110.09695	2.8
110.97559	2.8
112.07635	5.9
112.99149	1.1
115.03922	1.4
115.05084	1.4
116.98628	5.3
118.06573	0.7
119.01786	0.8
119.04956	18.0
119.05770	1.2
121.27673	0.5
122.06036	0.7
123.04427	2.5
124.07681	1.0
124.99155	0.6
126.09153	3.9
127.00693	1.0
127.03960	3.9
128.98662	3.1
130.08687	0.6
130.93327	0.8
131.00195	1.7
134.99660	0.6
135.03233	0.5
136.07591	67.4
137.06000	1.0
137.10773	3.7
138.05515	1.1
138.09184	0.7
140.98616	0.5
143.00182	1.9
143.08212	1.1
145.04974	2.5
146.06035	1.2
146.08192	0.7
146.99689	0.9
147.03310	0.6
147.04428	1.9
149.01239	0.8
150.09184	0.8
151.03908	0.6
155.04700	2.9
157.01765	0.7
157.09749	4.7
158.11929	0.8
158.99641	5.0
159.03191	0.6
161.01216	1.5
161.04724	1.3
162.06415	0.6
164.07097	6.7
165.05508	4.7
167.11829	34.5
170.01241	0.7
170.99716	1.0
172.94363	2.0
173.01288	0.7
175.02797	1.0
177.00714	2.3
178.08705	1.7
182.08148	82.8
186.04411	0.9
190.95398	0.9
191.02420	0.7
195.11346	2.2
201.00632	1.3
205.05594	1.0
212.02394	0.8
212.13960	100.0
214.03918	0.9
214.06015	0.5
218.04498	0.7
218.06284	5.7
218.57980	1.5
219.01814	5.1
219.05257	1.2
224.09238	1.9
227.06673	1.8
232.04924	1.5
232.96628	0.8
237.02788	4.0
241.53752	0.6
247.58281	0.6
260.96133	0.9
272.10184	1.4
291.07410	1.3
293.59201	0.7
309.08478	1.8
326.17151	0.9
344.13211	12.9
344.18124	63.0
345.11304	0.9
345.19928	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01873	0.6
57.03432	1.6
61.02924	1.2
69.03434	3.7
69.79942	1.9
69.80353	1.0
70.06584	1.9
72.08172	1.0
73.02919	0.9
81.03420	1.8
83.04991	0.8
84.08149	0.8
85.02426	0.9
85.02911	15.5
86.09688	1.1
88.03986	1.8
91.03970	0.7
91.05496	5.0
95.04999	0.7
97.02908	4.8
99.04453	0.8
104.79251	0.5
106.02900	1.0
109.02864	0.6
116.07059	0.8
119.04952	16.8
123.04430	2.0
124.03984	1.2
127.03938	3.3
145.04970	3.3
147.04416	100.0
161.06017	1.2
162.06392	0.6
162.07596	0.6
165.05482	54.5
180.08664	1.6
182.08167	1.1
192.07928	0.5
263.09708	0.7
344.12253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01913	0.4
56.96373	0.4
56.96624	1.2
57.03485	0.7
57.19845	0.3
61.02980	1.0
65.54171	0.3
67.05537	0.7
69.03438	2.9
70.06644	1.1
71.05036	0.8
71.56919	0.4
71.57318	0.4
72.08192	0.9
73.02981	0.6
81.03497	1.3
84.08192	0.5
85.02907	6.8
91.05551	1.1
95.05019	0.9
97.02899	2.9
97.06609	0.5
98.97614	1.8
99.04542	0.5
99.44238	0.4
102.05594	0.4
107.03613	0.5
109.02949	0.8
109.05235	0.4
109.06551	0.5
112.07671	0.5
116.98662	0.7
119.04944	4.4
122.06063	1.6
123.04492	0.7
127.03990	1.3
128.98657	0.5
129.02232	0.3
134.04631	8.6
136.06241	0.7
136.07591	0.6
137.06052	1.1
139.07639	0.4
140.07066	0.4
143.03223	0.5
144.13878	0.6
145.05049	1.2
146.06026	0.9
147.04420	22.9
151.03909	1.0
152.05717	2.8
152.06812	0.5
154.03880	0.5
158.99680	0.6
161.06053	1.2
162.06354	1.8
164.07086	7.2
164.08379	0.7
165.02341	2.1
165.05479	11.4
167.02626	1.3
174.00543	0.4
180.08720	0.5
182.04977	100.0
182.06839	4.4
182.57248	0.4
182.66393	0.4
183.05214	0.7
191.07358	0.7
192.07779	0.5
193.08218	0.9
219.01807	0.5
314.07135	1.2
329.09555	0.4
344.09958	15.2
345.14899	1.2
363.13025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
57.03431	1.4
61.02910	1.5
62.55487	0.5
69.03436	3.9
70.06596	0.7
70.34813	0.8
70.35164	1.4
72.08151	0.6
75.80424	0.4
81.03426	0.9
85.02906	14.3
86.09701	0.5
87.04456	0.5
88.03969	0.8
91.03960	1.1
91.05475	4.5
97.02900	3.2
99.04464	0.7
109.02867	0.9
116.07108	0.8
119.04946	17.8
123.04452	2.3
127.03960	3.1
145.04944	3.7
147.04416	100.0
165.05479	50.3
166.05836	0.7
180.08727	2.0
182.08110	1.2
215.14278	0.5
248.55954	0.6
310.60074	0.5
344.13623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35432	2.2
53.03945	4.8
55.01867	2.9
55.05511	16.8
57.07074	7.3
60.01793	2.7
67.05505	30.3
69.07076	31.9
70.16122	9.8
79.05493	23.2
81.03410	3.5
81.07066	59.4
83.08643	12.4
91.05485	29.0
93.07054	52.3
94.19936	2.3
95.04964	4.7
95.08614	69.4
97.10178	15.1
105.07039	45.4
107.08607	27.5
109.06529	5.3
109.10168	47.4
111.08080	4.7
111.11791	3.3
113.09627	2.7
117.07063	3.2
118.04162	3.4
119.08595	40.8
121.06520	3.3
121.10149	67.0
123.08090	12.6
123.11716	26.9
125.09644	7.6
131.08575	9.4
133.06512	4.7
133.10138	28.9
135.11726	19.0
137.05975	17.7
137.09619	19.2
137.13254	5.0
139.07541	13.5
143.08549	4.2
145.10132	17.3
147.11694	100.0
149.13277	25.0
151.03909	32.3
151.07538	8.1
151.11185	10.3
157.10118	5.2
159.11700	10.8
161.05997	85.3
161.09644	2.5
161.13251	18.8
162.06726	3.2
163.14867	10.7
165.12746	15.9
167.07016	14.5
171.11736	4.0
172.27118	2.2
173.13263	9.9
175.14819	6.6
177.05528	9.2
177.16411	8.4
178.06232	3.4
179.07173	2.8
179.14307	5.1
179.17934	3.8
185.13252	3.6
187.14732	6.6
189.05461	6.9
189.16408	7.8
191.07060	19.7
192.07828	34.1
193.08536	2.7
195.17464	6.8
201.16408	7.5
203.07071	4.5
203.17975	3.2
207.17422	5.1
215.17917	6.0
217.19653	4.3
219.21312	2.6
229.19620	4.5
238.12988	2.7
242.05811	3.7
243.21126	16.4
243.51482	2.9
253.04958	8.3
261.22192	9.9
267.06635	2.5
269.10742	7.6
270.04993	2.9
285.07623	9.0
298.04639	3.7
313.07114	35.6
315.12164	6.8
325.28888	54.5
328.09540	8.2
343.08469	3.3
343.11798	83.1
343.26270	4.7
343.29935	37.5
344.12082	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.5
53.65693	2.1
55.05514	22.5
57.07073	8.9
57.31738	2.3
59.05034	2.4
65.03921	4.0
67.05511	32.8
68.40288	2.5
69.03439	3.5
69.07070	41.3
69.50169	4.6
69.50578	12.0
71.04986	4.3
79.05492	17.7
81.03427	3.2
81.07063	100.0
82.45233	2.7
83.04980	2.5
83.08630	10.6
85.06551	21.7
91.05486	12.8
93.07056	42.3
95.04959	14.7
95.08616	78.8
97.06539	5.3
97.10176	9.4
99.07508	3.3
99.08106	15.7
101.06040	4.0
105.07045	27.3
107.08598	44.7
109.06541	6.4
109.10161	43.3
111.08088	6.5
111.11700	7.4
113.09664	5.3
117.07047	4.8
119.08611	18.6
121.06514	4.4
121.10145	32.3
123.08123	3.3
123.11725	20.2
125.09646	5.5
131.08566	10.0
133.02832	2.6
133.10158	10.7
135.11703	27.1
137.05992	11.0
137.13258	8.5
139.11186	7.1
145.10129	9.2
147.11703	20.8
149.13251	17.0
151.03918	10.9
151.14684	2.3
153.12799	6.7
155.10745	3.4
159.11700	10.3
161.05980	24.8
161.13286	10.2
163.11160	4.3
163.14871	8.5
165.12776	6.0
167.07053	3.9
177.16402	15.9
179.14240	3.2
189.16420	4.5
191.07007	5.0
192.07910	6.0
195.17519	5.9
203.17833	2.4
215.18037	4.3
259.24316	5.0
271.24326	2.8
277.25308	10.3
282.05255	3.9
289.25336	9.5
295.26501	5.2
297.07501	19.4
307.26373	11.1
311.08908	2.4
313.07162	9.0
325.07068	3.4
325.27594	3.4
326.46817	2.7
343.08084	19.2
343.11841	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	26.2
56.25920	4.6
67.05503	32.4
69.07073	72.2
69.92232	25.7
71.04993	10.8
71.55671	5.3
79.05490	29.0
81.07063	100.0
83.05000	6.0
83.08583	9.9
85.02929	5.9
85.06535	19.6
91.05468	14.3
93.07040	45.1
95.04967	12.8
95.08610	69.8
97.06540	10.7
97.10168	11.2
98.97614	8.0
99.08095	18.8
105.07022	21.7
107.08608	36.5
109.06535	10.3
109.10175	46.7
111.08056	7.2
111.11715	14.8
119.08604	21.0
121.06477	6.5
121.10126	19.7
123.11697	22.4
125.09657	6.7
130.78476	5.6
131.08566	12.1
133.10092	18.1
135.11714	21.8
137.05995	17.3
137.13245	7.1
139.07542	7.2
139.11182	12.0
145.10083	12.3
147.04448	8.7
147.11714	20.2
149.13277	14.1
151.03918	19.3
153.12772	11.0
159.11690	15.8
161.05995	78.2
163.03938	6.6
163.11165	12.8
163.14725	5.8
167.07051	6.8
175.14725	5.8
177.05461	10.6
177.16348	5.9
178.06332	6.4
179.07140	6.8
185.59610	5.1
189.05511	5.8
191.07031	22.8
192.07831	16.9
193.19489	4.6
195.17409	7.1
197.05856	4.9
201.05539	5.4
253.04976	12.8
254.05453	5.2
257.08292	7.9
269.04520	12.6
271.24173	5.3
277.25330	7.8
282.05380	5.2
283.06088	6.1
284.06802	8.3
285.07516	12.2
289.25336	12.7
297.04297	6.3
299.05365	7.8
307.26309	12.3
310.05106	5.6
312.05948	8.3
313.06989	28.8
315.08600	25.3
315.12109	10.6
316.61063	6.6
325.27405	7.8
327.05038	8.5
328.05847	12.1
328.09390	10.5
343.08115	96.6
343.11862	71.1
344.08459	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03215	1.2
53.03934	2.6
55.01857	5.0
55.05260	1.3
55.05511	17.0
57.03434	2.5
57.07076	11.3
59.04985	2.0
65.03934	2.6
67.05173	2.2
67.05511	35.8
69.03442	5.9
69.06724	2.3
69.07070	30.3
70.50025	3.6
71.04984	4.7
79.05055	1.6
79.05492	27.1
81.03416	3.3
81.07061	100.0
83.04971	2.8
83.08614	9.7
84.88071	1.1
85.02901	3.1
85.06547	73.4
87.04451	1.5
88.84213	1.0
91.05479	15.5
93.07050	45.3
95.04964	4.6
95.08612	69.9
97.02882	1.2
97.06532	10.7
97.10172	6.0
98.97591	1.4
99.04452	1.2
99.08093	13.8
102.05535	1.9
105.07039	20.6
107.08598	44.9
109.02906	2.1
109.06516	3.4
109.10165	50.5
111.08083	18.3
111.11720	5.8
113.09657	6.0
115.07584	3.3
117.07018	1.8
119.04881	1.3
119.08583	22.7
121.06484	2.2
121.10146	31.1
123.08090	2.7
123.10828	1.4
123.11716	24.6
125.09619	9.0
127.11169	1.9
131.08565	4.1
133.02834	3.5
133.10138	11.7
135.11705	25.9
137.05965	2.9
137.09598	4.0
137.13254	8.8
139.11177	10.9
141.09177	1.4
141.12784	1.9
142.79865	1.1
143.10680	2.5
145.10136	5.4
147.11685	12.2
149.05956	1.8
149.09511	1.5
149.13260	23.6
151.03903	1.6
151.11186	4.5
151.14841	2.7
153.12825	5.3
157.12212	5.7
159.11696	5.7
161.13239	8.2
163.11134	6.1
163.14836	12.3
165.12762	3.5
167.03404	1.7
167.14293	2.7
171.13814	1.6
173.13335	2.9
175.14833	11.0
177.05534	1.2
177.16386	5.7
179.14313	3.4
179.17867	1.5
181.04990	2.8
187.14864	1.6
189.16357	7.0
190.04991	2.8
191.17984	5.0
193.12193	1.9
193.15878	4.9
194.12607	1.9
195.17450	1.3
201.16406	1.7
203.17969	2.7
207.17513	2.7
209.18945	1.7
211.09808	1.1
211.13312	1.2
211.16992	6.2
215.17867	2.8
231.21004	2.3
233.19041	1.8
237.18568	1.5
240.09111	1.2
243.06441	1.5
245.22643	1.3
254.05795	1.8
269.09164	3.5
271.05975	3.2
271.24249	1.4
277.25296	4.6
282.05365	4.4
289.25204	7.0
295.26266	2.7
297.07574	4.4
298.04465	1.5
300.06323	5.7
307.26315	6.6
310.04813	1.9
313.07098	2.2
313.27280	1.4
314.07816	3.0
325.06976	2.2
325.10776	2.1
325.27322	4.3
328.05789	13.2
343.08136	45.0
343.11929	2.8
343.16977	2.1
344.08670	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	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85481	1.0
53.03940	2.9
55.01864	1.9
55.05500	1.7
56.96529	0.8
57.03432	4.8
57.07070	1.3
61.02930	5.0
65.03930	1.1
65.06253	0.8
67.05489	2.6
69.03079	1.2
69.03430	18.2
69.07069	1.7
69.79671	2.1
69.80055	2.1
70.06587	2.0
71.01332	0.7
71.04982	2.3
73.02910	2.2
79.05505	5.3
79.05875	0.9
81.03408	5.8
81.07055	9.4
81.76992	0.8
82.44444	0.7
83.04994	8.0
85.02906	38.6
85.06525	1.5
86.09728	1.6
87.04446	2.2
91.03969	1.2
91.05480	8.8
93.07053	12.7
95.04974	21.0
95.08611	2.3
97.02897	12.7
97.06558	4.1
98.97581	1.1
99.04433	1.9
105.07036	10.3
107.04948	6.3
107.08595	11.7
107.36686	0.8
109.02893	3.6
109.06512	2.8
117.07001	3.5
119.08588	5.4
120.08108	0.8
121.06499	3.3
121.10149	13.4
121.24068	0.9
123.08060	1.6
125.05993	11.9
127.03938	7.8
130.07759	3.2
133.06480	1.3
133.10109	1.1
135.08076	1.2
135.11691	7.8
137.05966	2.9
143.08443	0.8
145.04965	9.7
145.09010	1.5
145.10115	19.1
145.11258	1.2
146.06055	0.9
147.08047	2.3
151.03868	1.7
151.07515	1.1
161.06004	5.5
161.09647	1.6
163.11188	100.0
164.11493	1.5
165.09111	2.4
167.07034	2.7
181.12234	17.8
183.10126	0.9
191.06978	1.4
192.07834	2.3
205.12183	1.9
223.13226	1.6
249.02618	0.8
273.14392	0.8
343.08240	0.8
343.12344	4.3
343.17261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1178
Annotation	CHEBI:67495
Peak:m/z	Relative Intensity
55.01863	0.6
55.05510	0.8
65.03947	0.7
67.05510	1.4
68.99805	0.9
69.07054	0.8
71.04962	0.5
74.36062	0.5
77.03899	0.5
79.05504	6.1
81.07079	3.0
81.07467	0.5
81.87663	0.5
82.04179	0.9
91.05486	8.2
93.07038	1.3
94.04182	0.9
95.04954	1.6
95.08594	1.9
98.21500	1.5
103.05494	0.7
105.03403	0.8
105.06995	1.9
107.04956	2.8
108.05769	0.9
109.06535	4.2
110.03665	2.8
115.05376	0.6
119.04971	6.3
121.06507	1.7
121.10139	0.6
123.08070	4.5
124.05189	0.7
125.06023	1.3
131.04886	0.9
133.06474	1.2
134.03468	0.6
136.05283	0.7
137.05986	34.3
138.03128	24.4
139.07509	2.9
147.04451	2.4
147.11716	0.7
149.05983	1.1
151.03888	1.9
151.07539	4.7
152.04712	1.5
153.05473	100.0
154.05853	1.1
161.06012	6.5
162.03119	1.4
163.03926	1.1
163.11197	0.6
167.07063	3.6
169.55072	0.5
175.07513	1.4
176.04538	0.6
177.05463	3.6
179.07048	24.7
185.06078	0.6
189.78581	0.5
191.07082	0.9
193.04973	1.0
194.07317	0.6
195.06538	20.6
203.07004	3.1
209.06000	0.6
216.18440	0.6
229.09026	0.5
239.07085	1.2
240.07774	1.1
250.06293	1.2
251.07039	1.0
265.08685	1.6
267.06506	1.0
268.07306	0.8
283.06628	0.6
283.09705	2.1
293.08139	1.9
311.05746	1.0
311.09183	4.6
313.07089	1.2
325.10745	2.1
343.08170	1.0
343.11798	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1177
Annotation	MUNDOSERONE
Peak:m/z	Relative Intensity
53.03940	1.4
65.03930	1.2
66.04710	0.7
67.05505	0.4
67.57989	0.4
68.99789	0.5
69.91151	1.9
79.05493	4.2
81.07056	0.6
91.05489	1.4
92.02617	0.5
93.07038	0.4
94.04199	2.1
95.04979	4.9
96.05715	0.8
98.21390	0.6
103.05478	1.4
105.04536	0.6
105.07018	2.0
107.04949	2.1
108.02100	0.7
108.05738	2.0
109.02880	0.4
109.06523	4.0
110.03656	0.5
111.08000	0.4
118.04155	3.3
119.04957	0.5
121.06519	4.3
122.03638	1.1
123.04443	0.5
124.05211	4.7
125.05996	1.1
127.35085	0.4
131.04933	0.8
133.06494	5.2
135.04446	2.1
135.05339	0.4
135.08070	0.6
136.05229	0.9
136.13411	0.4
137.05984	25.5
139.07547	10.9
146.03627	3.5
147.04410	1.7
148.05180	0.8
149.05986	2.2
150.06694	0.5
151.03914	29.9
151.07539	6.8
152.04630	0.4
153.05507	0.9
155.07031	1.7
161.05988	100.0
162.06770	3.0
163.03949	0.9
163.07513	0.9
164.04663	0.4
165.05490	1.5
165.06723	0.9
165.09122	1.5
167.07047	15.9
170.76059	0.4
176.04732	1.5
177.05475	12.0
178.06277	1.2
179.07042	6.1
181.04985	0.9
189.05486	7.6
189.07036	0.7
191.07037	23.6
192.07820	35.6
193.08617	3.0
195.06532	0.6
207.06441	0.4
220.07280	0.9
253.04939	0.5
279.06616	1.0
283.09653	0.7
285.07632	0.6
294.08868	1.5
297.11157	0.6
313.06970	1.0
313.10367	0.4
315.12250	6.1
325.10681	2.4
328.09564	1.0
343.11780	35.3
344.12143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1179
Annotation	7,2',4',5'-tetramethoxyisoflavone
Peak:m/z	Relative Intensity
53.03936	1.7
60.11707	0.6
70.76054	1.8
79.05469	1.8
81.03424	50.1
81.07040	1.7
81.64043	0.7
91.05457	2.1
95.30352	1.0
99.04469	2.1
109.02888	16.7
109.06527	2.3
111.04437	0.8
119.04910	1.1
119.08574	0.8
121.06498	0.8
122.03612	0.8
124.05241	0.9
128.06136	0.8
129.06982	0.7
133.02829	0.9
133.06561	1.0
135.04416	2.3
137.05980	3.4
139.03914	6.4
139.07533	2.5
141.05479	11.8
146.03601	0.9
147.04396	4.2
147.08047	1.7
149.02359	1.9
151.03894	6.3
161.02344	4.9
161.05988	18.5
163.03937	1.0
167.03427	5.5
167.07030	3.3
175.03922	6.1
175.07599	1.0
177.05476	2.5
179.07069	0.9
185.05963	3.0
187.03911	0.7
189.05504	2.0
191.07016	3.5
192.07820	6.4
193.08633	0.9
203.03348	3.5
203.07042	100.0
204.07437	1.3
213.05330	0.7
237.09053	0.8
240.07770	0.7
241.08643	2.4
253.04840	1.1
255.10262	1.5
265.08752	1.1
269.08069	7.2
283.09787	3.5
285.07596	1.9
298.14590	0.8
311.09158	19.0
313.07068	4.7
313.54459	0.7
315.12274	2.0
328.09290	2.0
343.11789	46.4
344.12076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1176
Annotation	ISOTECTORIGENIN TRIMETHYL ETHER
Peak:m/z	Relative Intensity
57.03421	0.3
69.97085	0.4
69.97488	0.5
73.00761	0.1
79.01821	0.2
81.35695	0.1
85.02894	0.2
91.05410	0.2
95.04960	0.2
105.03379	0.2
106.32509	0.2
107.04944	0.8
107.44183	0.1
121.06512	2.4
131.04871	0.2
135.04417	0.8
137.05943	0.4
147.04353	0.2
148.05220	0.3
149.05991	0.2
151.02719	0.2
151.03897	4.1
158.07230	0.2
161.02325	0.4
161.05952	0.5
162.68576	0.1
163.03912	1.7
168.04065	0.2
169.06520	0.5
175.03992	0.2
176.04652	0.6
177.05467	0.9
178.06248	3.6
181.04910	0.6
181.06377	0.2
184.35054	0.2
186.06708	0.3
187.07567	0.3
191.03383	0.2
196.05215	0.3
197.05907	1.0
198.06693	0.7
199.07611	0.2
201.05421	1.1
203.07016	0.3
204.04172	0.4
209.05983	0.7
211.07532	0.6
213.05363	0.2
214.06245	8.4
215.07024	1.3
224.04736	0.2
225.05467	2.3
226.06207	1.3
227.03500	0.3
227.07007	0.4
229.04979	1.3
229.08572	1.2
237.05396	0.2
238.02667	0.3
239.07019	2.6
240.07652	0.3
241.04976	0.3
241.08606	1.7
242.05740	6.6
242.08212	0.3
243.06458	0.6
251.06995	0.3
252.04079	0.3
253.04964	16.7
254.05769	0.9
255.03259	0.2
255.06467	0.4
255.09921	0.2
257.08093	6.3
266.05685	0.3
267.06516	5.3
268.07233	0.4
269.04456	0.6
269.07996	0.7
270.05255	3.0
271.05692	0.3
279.06430	0.9
281.04456	2.2
281.08081	1.2
282.05212	1.6
282.08829	0.4
283.06012	0.5
283.09424	0.3
284.06839	0.5
285.07587	19.6
287.12683	0.2
295.06021	3.8
296.06775	0.3
297.07550	2.0
298.04730	8.6
299.09183	0.8
309.07620	0.7
310.08429	1.1
311.09164	1.5
312.06296	0.5
313.07059	66.4
314.07443	0.8
315.12274	0.4
327.08603	2.0
328.09412	18.0
343.11758	100.0
344.12003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0814
Annotation	7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin
Peak:m/z	Relative Intensity
53.03924	0.8
55.01855	0.9
55.05479	1.8
56.96553	0.7
57.39300	0.5
65.03914	1.7
67.05504	3.3
68.99770	0.7
69.07077	3.5
69.24096	0.5
69.54711	3.6
71.04990	0.6
71.61758	0.4
73.32755	0.5
79.05464	2.3
81.07054	6.2
83.04988	0.9
83.08611	1.2
85.02864	0.9
85.06507	1.6
90.96631	0.5
91.05449	1.6
93.07031	3.9
95.04971	10.0
95.08609	3.6
97.06528	0.9
98.21459	1.1
98.97535	1.0
99.04443	0.7
99.07980	0.6
105.03369	1.5
105.07033	2.6
107.08614	2.4
108.02052	1.7
109.06450	0.8
109.10162	2.5
111.04438	0.9
111.08005	0.8
111.11662	0.5
119.04918	0.5
119.08554	2.2
121.06479	1.0
121.10084	1.8
123.04388	1.8
123.11699	1.0
129.07002	0.6
131.08557	2.1
133.02859	11.0
133.10060	1.5
134.03349	0.5
135.04410	1.3
135.08009	0.8
137.05984	4.7
143.08565	0.9
145.10100	2.0
147.11705	1.1
148.05136	0.5
149.05916	0.6
149.09605	1.0
150.03072	1.1
151.03906	39.2
152.04182	0.5
153.05539	0.6
153.06845	0.7
153.12712	0.5
157.10072	0.6
159.11739	0.6
161.05994	2.8
161.13190	0.8
163.03941	1.1
165.05502	2.7
167.03430	1.0
168.05655	1.4
171.04482	0.5
171.08051	0.7
173.09709	0.6
173.13248	0.5
177.05463	0.7
178.02647	2.6
181.04948	0.6
184.05193	0.9
185.05931	1.6
186.06708	1.8
187.07547	1.1
189.05492	0.8
191.03323	2.6
193.04993	5.0
195.04300	0.6
195.11624	0.6
196.05103	0.7
197.05989	0.8
198.06746	1.0
199.07524	2.0
200.08322	1.1
201.05457	1.1
203.14288	0.5
203.53406	0.5
209.06006	0.7
210.06787	0.7
211.07567	2.6
212.04732	0.9
213.05411	2.3
214.06197	1.7
215.07028	5.1
219.02855	1.7
225.05527	0.7
226.06216	2.9
227.07030	4.9
228.07741	1.7
229.04965	0.7
230.05730	1.2
238.06381	0.8
239.03329	0.6
239.07022	3.3
240.04135	2.0
241.04919	4.5
241.08627	1.2
242.05859	0.6
243.10136	2.8
251.03694	0.5
251.07045	2.0
254.05745	2.0
255.06549	6.4
256.07312	3.4
258.05188	1.5
265.05026	0.9
266.05710	0.9
267.03265	0.6
267.06558	5.0
268.03583	1.4
269.04443	3.4
269.07968	1.1
271.09592	0.6
273.07513	0.9
279.02771	0.9
279.06467	0.9
282.05392	3.8
283.06021	7.0
284.06799	23.5
285.07330	0.8
296.03375	0.6
296.06888	0.7
297.07623	4.1
299.09149	100.0
300.06412	0.6
300.09573	2.5
301.06961	3.9
307.26343	1.3
310.04688	2.4
311.05515	21.3
312.06058	0.6
315.08539	4.0
325.07065	17.0
325.10861	0.9
325.21640	0.7
328.05820	1.0
343.08130	37.0
343.11682	2.0
343.18976	0.9
343.22610	1.1
343.26575	0.9
344.08206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0815
Annotation	4,2'-Epoxy-4'-hydroxy-5,7,5'-trimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
55.01897	0.2
56.91761	0.2
57.91637	0.2
70.20243	0.7
74.66253	0.2
91.05511	0.2
92.02603	0.7
96.51870	0.2
106.58763	0.2
107.01331	0.2
108.02131	0.4
120.02055	0.4
123.00783	1.4
125.02370	1.0
133.02853	0.5
137.02341	4.6
137.06001	1.6
138.03117	3.8
151.00287	1.0
151.03911	1.4
152.01079	0.4
153.01834	12.5
155.90071	0.2
161.02353	4.6
161.06007	0.8
162.03125	56.4
163.03540	0.9
165.01877	0.6
166.02615	4.0
167.03397	0.4
169.01405	0.3
171.04358	0.3
175.03947	0.6
176.04637	0.8
178.02629	0.3
178.06314	0.3
183.04419	0.8
184.03653	0.7
184.05174	0.4
185.06056	0.5
186.06728	0.4
190.02562	0.2
191.07079	0.2
192.07742	0.3
193.04961	0.4
196.05116	0.3
199.03902	1.3
201.05507	0.3
211.03824	1.2
212.04701	0.7
213.05428	0.7
214.06297	0.9
224.04732	0.3
225.05502	0.5
226.06250	0.6
227.03397	3.2
229.05113	0.3
230.05844	0.4
239.03357	0.5
240.04207	0.5
241.04971	0.6
242.05725	5.5
249.84311	0.2
253.05057	0.7
254.05702	2.3
255.02881	4.2
255.06705	0.5
256.03345	0.3
257.04526	0.3
258.05215	0.5
266.02310	0.2
267.02972	0.5
268.03656	0.5
269.04419	0.7
270.05258	6.5
271.05951	0.2
281.04477	0.7
282.05136	0.5
283.02408	3.5
283.06046	1.1
285.04016	1.4
285.07593	4.1
287.09381	0.2
296.03168	1.9
297.03979	1.0
298.04700	4.0
299.05505	0.4
300.06354	0.4
310.04602	1.0
311.05515	4.7
312.06122	0.3
313.03406	2.3
313.07114	2.7
327.04950	0.6
328.05780	34.3
329.06152	0.8
343.08124	100.0
344.08493	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	343.0814
Annotation	4,2'-Epoxy-4'-hydroxy-5,7,5'-trimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
56.91756	0.3
59.87243	0.3
61.95906	0.2
69.85943	1.6
90.34838	0.3
95.01333	0.5
95.84456	0.3
98.21443	0.6
101.05244	0.3
105.06140	0.3
114.93875	0.3
123.00775	1.5
131.35634	0.3
133.02937	0.3
137.05956	1.5
138.03139	0.4
151.02736	0.3
151.03917	0.9
161.02362	6.7
161.05965	0.4
162.03127	83.5
163.03455	0.9
166.02597	1.2
167.03439	1.0
169.01300	1.0
184.03664	3.1
189.01778	0.6
199.03909	0.7
213.05399	0.8
214.06259	0.7
226.06094	0.5
227.03400	1.7
228.04269	0.3
229.05084	0.3
230.05803	1.1
240.04144	0.5
241.04851	1.8
242.05727	5.3
243.06395	0.6
253.05138	0.5
254.05766	2.9
258.05270	0.9
268.03784	0.7
269.04596	0.6
270.05231	4.8
271.05859	0.5
282.05258	0.4
283.02164	0.3
285.04617	0.4
285.07562	3.0
287.09103	0.6
296.03015	1.8
297.03909	0.5
298.04709	3.0
299.05460	0.9
300.06247	0.7
311.05518	15.2
313.06952	2.7
327.05072	1.6
328.05786	36.3
329.06116	0.5
343.08130	100.0
344.08493	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	342.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	10.5
57.07078	12.7
57.29403	1.5
69.03431	5.1
69.07066	2.7
70.06236	2.9
70.06596	32.2
70.44978	1.5
70.48145	5.7
81.03419	3.4
81.07059	4.0
83.08631	4.4
85.02915	14.0
86.09711	6.5
86.61221	1.7
89.06033	36.8
91.05492	2.0
95.08623	1.9
97.02908	3.9
101.09662	13.2
102.05556	6.7
107.07070	40.8
111.44743	1.6
121.02864	2.0
126.37705	1.6
127.03941	2.5
130.08649	2.0
134.11781	1.9
137.06013	1.9
145.04951	2.5
163.13298	100.0
165.01810	2.3
178.60320	1.5
183.14948	7.6
185.06189	1.7
186.16881	1.5
188.03670	1.7
211.14462	4.7
238.96025	1.6
259.84174	1.7
283.06058	6.0
284.06793	1.8
297.07574	19.5
325.07007	8.2
342.10165	2.5
342.19180	5.8
343.08380	11.4
343.12299	4.7
343.17139	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	342.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	1.3
55.05511	0.9
56.05033	2.8
56.96556	1.1
67.05502	1.0
69.03424	1.5
69.07062	4.0
69.31081	5.3
70.06600	4.4
72.08157	2.8
79.05493	0.6
80.05000	1.2
81.07059	1.1
82.02934	2.4
83.05001	0.6
83.06090	2.2
84.04506	1.3
84.08149	1.2
85.02900	1.0
86.09712	8.2
91.05488	0.9
93.07058	0.9
94.02895	0.6
95.04951	1.2
95.08609	1.4
96.04477	0.9
96.08144	1.9
97.02926	0.7
97.07674	2.5
98.97588	1.6
99.05582	5.4
102.05554	12.1
105.07024	0.9
108.04484	2.4
110.06080	0.7
111.05578	21.1
115.08728	0.9
116.07111	4.2
121.06528	1.0
122.09687	4.6
125.07130	10.3
126.05541	4.9
127.05068	3.4
128.10732	1.9
131.00217	0.8
136.07516	0.6
137.05998	1.5
139.05038	35.1
139.12357	2.9
139.13290	0.7
145.67845	0.5
150.09137	6.8
151.07600	0.5
152.10706	2.0
153.06612	4.0
156.10202	2.1
161.05971	1.6
163.11131	0.6
167.07002	0.6
167.11816	17.3
168.10300	0.8
174.11299	1.7
177.00740	0.8
177.10324	0.8
180.10204	0.8
188.73547	0.5
192.07860	0.6
195.11307	100.0
196.09760	1.2
196.11646	1.3
197.16867	0.5
199.18079	2.3
211.06354	0.5
223.07166	0.8
223.10820	4.4
227.17479	1.1
239.08551	0.9
245.17357	0.5
252.09404	1.9
278.15015	1.7
279.13492	1.8
296.15961	1.8
296.18793	1.0
314.11008	0.9
314.19745	0.6
324.11545	1.6
324.15546	22.4
333.12067	0.7
342.10489	1.1
342.19180	12.4
343.13397	1.1
347.37592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.05519	1.0
56.05021	1.7
56.56539	0.9
56.96555	1.2
57.03442	7.1
60.60044	0.9
61.02913	1.1
62.22534	1.0
65.03973	1.1
65.27943	1.2
69.03436	4.9
69.07069	2.5
70.06577	1.3
70.11492	3.0
71.04991	1.5
71.08617	3.3
72.08153	2.7
73.02924	1.4
74.06085	1.3
79.05482	3.0
81.03420	2.3
81.07043	4.6
83.04956	2.0
84.73582	1.0
85.02505	1.2
85.02918	15.2
91.05439	1.3
97.02887	4.1
98.97579	3.0
99.08084	13.4
102.05550	19.8
103.05859	7.7
106.06535	1.2
109.02880	1.3
109.06521	3.5
117.09138	100.0
127.03914	2.5
127.07562	3.0
128.10670	2.1
129.11076	2.1
134.06024	3.5
140.07094	1.8
145.04958	2.6
145.08670	1.3
151.03844	1.5
152.07024	1.2
156.10185	1.4
157.10634	1.0
161.06001	4.1
162.05531	13.7
163.09686	13.7
167.06911	1.2
168.06567	3.4
169.06927	3.0
175.11490	1.3
180.03804	1.3
180.06548	4.1
191.07184	1.4
192.07849	1.1
249.67599	1.1
296.17078	1.6
313.07028	1.6
314.11139	1.9
314.17963	2.7
342.11160	3.6
342.17413	19.1
343.11606	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	341.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.9
55.01868	7.7
55.05515	29.6
57.04890	2.5
57.07064	5.7
66.29361	2.8
67.04726	3.0
67.05509	32.7
69.03427	7.0
69.07073	47.2
69.34871	11.5
69.35304	11.3
71.04995	5.0
79.05498	19.3
81.07063	100.0
83.04953	5.0
83.08611	11.5
85.02911	3.2
85.06058	5.2
85.06541	73.0
86.52670	2.6
91.05466	17.5
93.07043	59.9
95.04956	11.3
95.08045	5.3
95.08612	76.5
97.06525	9.3
97.10171	14.2
98.21537	6.8
98.97578	3.7
99.04443	4.9
99.08088	16.4
100.11278	4.6
103.05490	3.8
105.03400	22.0
105.07030	28.0
107.08598	50.2
109.06511	8.3
109.10166	45.6
111.08064	34.4
111.11722	10.4
113.09679	4.0
117.06937	3.8
119.08593	18.6
121.06484	12.0
121.10162	40.5
123.08045	2.9
123.11707	32.7
125.09630	9.9
129.07080	3.2
131.08554	11.1
133.02849	22.9
133.10147	26.5
135.11731	24.4
136.07596	4.2
137.06004	18.0
137.09622	5.2
137.13239	8.5
139.11156	12.1
143.08565	4.7
145.10120	11.5
147.08034	3.3
147.11662	10.3
149.02332	3.8
149.09608	5.4
149.13255	36.6
151.11212	10.6
153.12703	3.5
157.10185	5.2
159.11658	8.3
161.05968	5.1
161.09662	3.2
161.13220	8.0
163.03903	38.5
163.11191	6.8
163.14835	12.2
165.12810	3.3
167.07021	2.9
167.14325	7.0
171.08022	3.8
171.11794	4.4
173.13335	6.8
175.07553	5.1
175.14850	7.7
177.05467	7.5
177.12724	3.0
177.16333	2.8
179.14305	4.3
181.04965	27.4
187.07574	7.6
187.14958	3.6
188.03418	6.3
189.16518	3.5
191.06996	9.2
191.14304	8.9
193.15967	3.4
199.14815	3.4
201.16412	3.5
203.08606	4.8
206.04536	14.3
207.17497	4.4
209.15343	18.2
217.08607	3.2
223.16922	4.0
234.06793	3.6
269.22827	3.6
275.23514	3.9
287.23676	4.3
291.10013	3.9
299.10001	3.2
305.24805	28.1
309.11130	5.7
323.09882	3.7
323.25912	23.7
341.06360	6.0
341.10614	22.2
341.14432	5.6
341.24658	2.8
341.27151	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	341.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01871	3.0
55.05518	17.0
56.96571	2.1
57.07068	4.8
59.04983	4.0
62.53751	1.6
65.03929	2.6
65.24712	1.6
67.05511	13.8
69.03411	5.2
69.07072	100.0
70.09996	6.2
71.04979	6.8
77.28006	1.8
79.05486	14.8
81.03411	3.2
81.07062	35.5
82.06519	1.6
83.04979	4.4
83.08601	6.1
84.60350	1.7
85.06525	6.2
87.83095	1.9
91.05473	30.1
93.06550	2.3
93.07057	27.5
94.04169	4.1
95.04967	9.6
95.08609	26.7
97.02854	2.3
97.06522	9.6
97.14713	1.9
98.20817	2.1
99.04449	2.2
99.08073	3.9
100.11276	9.2
102.83414	2.1
103.05455	2.6
105.06380	3.0
105.07034	41.5
107.04970	4.0
107.08595	17.7
109.06493	6.3
109.10149	16.6
111.04414	3.1
111.08057	2.4
111.11726	21.2
116.06311	1.8
117.07001	6.9
119.04946	2.8
119.08599	15.0
121.06540	5.0
121.09306	2.5
121.10139	38.1
122.03647	6.7
123.08077	4.1
123.11712	10.4
125.09621	2.7
128.06235	3.4
129.06993	8.1
131.08559	9.4
133.02838	6.1
133.10133	65.6
135.04401	2.6
135.08037	4.0
135.11682	5.8
137.05988	66.4
137.09587	2.6
137.13226	3.0
138.06346	2.0
139.11189	11.9
141.11456	2.4
143.08527	3.3
145.10135	10.0
147.04393	3.3
147.08049	2.0
147.11696	8.7
149.05992	2.2
149.09602	5.0
149.13263	7.5
151.03911	5.4
151.07504	3.7
151.11153	5.6
153.05432	4.1
157.06453	2.7
157.10126	7.3
159.08064	2.9
159.11711	12.0
160.05244	3.5
161.06006	3.0
161.09641	3.1
161.13298	4.3
163.03922	3.9
163.07480	2.9
163.14908	1.9
165.05502	4.1
165.06836	2.3
165.08899	2.0
165.12813	2.1
167.07074	2.1
167.08566	1.9
169.10089	2.5
171.08070	2.9
171.11659	2.2
172.03871	2.4
172.05186	3.3
173.09616	2.5
173.13327	1.9
174.06732	4.9
175.07565	16.1
175.11140	7.9
175.14853	3.6
176.04729	2.6
177.05428	4.7
177.09062	2.8
182.15364	8.8
185.13266	3.4
187.07545	21.4
189.09027	9.9
191.07013	7.0
191.08566	3.0
193.10075	2.0
196.05203	4.4
199.07538	6.0
199.14886	2.4
202.07730	3.7
203.08554	6.7
204.06470	2.9
210.14873	6.2
211.07481	11.3
212.04607	1.9
213.05460	4.9
217.08609	7.5
219.08058	5.9
220.08760	4.6
221.09741	2.6
225.09157	2.0
227.07053	11.0
231.07991	10.9
237.09160	2.4
239.07072	9.0
240.07823	8.7
241.05095	2.6
247.07576	2.9
248.08331	13.0
251.07077	2.7
251.10677	7.1
253.08354	3.8
255.06432	9.2
256.07220	5.2
259.07755	2.9
261.08987	2.4
263.10693	13.5
265.08572	3.5
266.05728	3.0
267.06393	3.1
267.10233	2.3
268.07373	3.8
268.21509	3.0
269.08173	5.1
270.08847	18.1
271.09671	31.7
276.07764	6.6
277.08658	4.2
279.10083	6.7
281.08047	7.1
281.11636	4.8
283.09601	6.4
287.23639	3.6
291.10135	34.6
292.10620	5.7
293.08054	4.9
293.24835	2.4
295.06305	2.4
296.10553	3.6
297.07617	3.0
297.11060	2.6
298.08313	3.4
305.25089	3.8
308.10428	5.7
309.07730	4.8
310.08194	2.6
311.09531	2.1
311.12766	6.1
313.07184	2.8
313.10675	20.0
323.12735	26.0
326.27991	3.4
341.06525	3.9
341.10129	17.1
341.13873	16.4
341.21225	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	341.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50390	0.8
55.05506	1.5
57.07085	5.7
58.07380	0.9
65.03922	0.9
66.22337	1.1
67.05497	2.0
69.07055	2.5
69.93069	4.0
71.08630	2.0
74.06072	0.9
79.05466	1.0
81.07046	2.9
83.08630	1.4
88.07642	4.3
89.07980	1.0
91.05485	63.9
92.05772	0.9
93.07032	2.9
95.08598	2.0
98.20816	1.2
102.09199	2.1
105.03405	2.1
105.07024	2.2
107.08614	1.9
109.10146	1.7
109.29473	0.9
115.05455	0.9
116.10750	1.3
119.08597	1.4
121.10159	1.2
123.11671	1.1
131.04932	1.7
135.04439	1.0
135.11719	1.1
137.06012	1.7
147.04398	3.5
151.03912	1.7
159.04433	1.6
161.05988	1.1
161.13277	1.4
163.03917	3.8
165.07025	1.7
166.07796	2.2
176.04684	1.6
178.07756	1.3
179.08553	2.9
181.10147	2.2
185.06058	0.9
189.05508	6.7
191.07016	12.1
191.08542	2.0
194.07294	2.3
197.09760	1.0
207.08118	1.0
209.09677	3.0
213.09178	1.4
224.08315	1.2
227.07007	1.2
237.09019	5.4
238.06317	1.8
239.07071	2.7
239.10686	2.5
241.05014	1.5
251.07098	1.3
255.06425	1.2
257.11710	1.5
266.05728	4.6
267.07169	3.1
267.10175	100.0
268.10544	1.5
269.08102	4.0
269.10721	1.4
270.08936	1.0
281.08078	6.2
283.06165	1.5
284.29459	4.7
285.11285	8.1
285.29831	10.2
295.06018	3.5
297.07657	3.7
298.08414	2.6
309.07498	3.9
310.08371	2.9
313.07587	1.1
313.10712	25.7
323.16440	27.0
340.35788	7.3
341.10205	16.8
341.16809	1.8
341.36093	44.1
348.77838	1.0
359.02820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1748
Annotation	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Peak:m/z	Relative Intensity
65.03931	1.1
69.92758	3.2
69.93161	2.3
71.28499	1.1
75.51524	1.1
85.24684	1.0
88.79481	1.3
91.05485	82.6
103.92341	1.1
105.03423	2.3
109.72356	1.1
131.04918	1.6
149.63092	1.2
153.06918	1.2
159.04410	1.4
165.06999	1.6
166.07796	3.6
167.08617	1.4
169.22513	1.1
179.08525	3.8
181.10135	2.7
189.05490	8.8
189.57690	1.1
191.08566	4.8
194.07329	2.8
207.08031	2.4
209.09615	4.8
237.09084	4.0
239.10735	3.4
249.09273	1.2
267.10178	100.0
268.10580	2.3
285.11185	6.9
323.16434	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.175
Annotation	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Peak:m/z	Relative Intensity
53.03940	2.0
55.01857	0.9
55.05498	0.9
56.40808	0.8
57.07057	0.8
59.37662	0.7
60.32257	0.7
65.03931	0.7
67.05513	1.7
67.51833	0.7
69.07069	30.5
69.57795	5.2
77.03916	1.2
79.05486	2.1
81.07049	2.5
85.46445	0.7
90.42308	0.7
91.05486	19.8
93.07045	99.0
95.04972	3.6
95.08634	1.8
105.03370	1.2
105.04515	0.8
105.07034	3.3
107.04945	2.4
107.08591	7.1
119.08574	1.8
119.43579	0.7
121.06516	16.4
121.07364	1.4
121.10127	1.2
123.08087	0.8
123.11757	1.0
125.06006	0.9
128.11507	0.7
131.08553	0.9
133.06488	1.4
133.10133	1.0
135.04434	4.5
135.08080	0.8
135.11694	14.5
137.06000	2.5
147.04393	7.3
148.05222	1.8
149.05997	7.7
151.03906	13.6
161.05960	6.9
162.03136	1.5
163.03894	10.3
164.04686	6.6
170.26608	0.7
174.06865	1.0
176.04718	2.6
177.05472	71.3
178.06230	4.2
179.03423	0.9
180.80013	0.6
181.04985	1.2
181.06445	1.1
182.07227	0.7
185.05968	1.1
189.05502	2.0
191.03415	0.8
191.07030	19.6
191.08771	1.0
191.30939	0.8
192.04189	8.0
193.04994	2.1
199.07600	1.2
203.10553	0.9
205.04965	71.6
206.05515	1.2
207.06531	100.0
209.09566	0.8
211.07512	1.0
213.05569	1.7
213.09143	1.5
219.06441	1.7
227.07056	1.6
229.05060	1.1
237.05464	1.3
237.09088	0.9
238.06238	2.3
239.07037	3.0
241.04985	4.6
242.05763	0.8
244.07346	2.0
245.11827	1.0
249.05611	0.9
251.07048	2.8
252.07852	1.7
253.04958	1.2
253.08577	2.0
254.09244	1.2
255.06537	1.9
255.10359	0.8
257.11783	2.5
266.05768	10.7
267.06659	4.9
267.10150	8.5
268.07083	0.8
268.10251	1.1
269.08127	10.8
269.10812	1.9
270.08749	1.1
273.11221	28.3
281.08084	13.8
282.08826	1.2
283.06100	3.6
285.11295	4.0
295.05957	7.0
297.07602	9.1
298.08258	4.8
308.06726	1.0
309.07556	6.5
310.08380	6.4
311.05325	2.1
311.08710	1.2
313.10693	57.8
314.11136	1.7
323.16345	3.9
326.07852	3.2
341.10229	35.6
341.17337	22.9
341.23962	1.0
341.28345	1.0
342.10739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.175
Annotation	Deoxydihydroxanthoangelol H
Peak:m/z	Relative Intensity
53.03944	1.7
55.05507	2.6
57.05112	0.6
65.98764	0.5
67.05513	2.7
69.07078	9.2
71.11649	1.3
71.11983	0.8
79.05501	25.6
81.07066	5.3
91.05489	10.4
93.07053	39.8
95.04972	3.3
95.08589	1.8
95.09162	0.6
101.80914	0.7
105.04534	0.8
105.07048	4.8
107.04946	1.8
107.08601	29.2
109.06513	1.2
109.10176	0.8
117.07037	1.1
119.08581	1.3
121.05648	1.0
121.06524	20.6
121.10149	1.7
123.11703	0.8
123.50107	0.6
125.06010	0.9
129.07030	1.7
131.08580	0.9
133.06502	1.1
133.10133	2.3
134.03654	1.3
135.04456	3.4
135.08073	1.0
135.11705	58.9
135.95319	0.5
136.61076	0.6
137.05998	3.8
145.10167	0.8
147.04393	3.9
147.08047	2.5
148.05139	0.5
149.06003	7.1
149.13255	1.1
151.03915	22.6
158.75772	0.7
159.11649	1.3
161.05988	2.5
162.03139	1.6
163.03911	6.2
171.11729	0.6
175.04027	0.6
176.04683	1.5
177.05481	86.8
177.12755	0.8
178.06171	2.5
181.06473	0.6
189.12772	0.7
189.77553	0.6
191.03400	1.1
191.07051	10.5
191.08755	0.7
193.04987	2.6
199.11227	1.3
203.07065	1.1
205.04977	100.0
206.05721	4.2
207.06506	7.6
211.07597	0.8
213.09134	0.8
217.04872	0.6
217.12216	1.4
219.06564	11.1
227.07127	0.8
229.04677	0.6
229.08615	0.8
238.06252	1.4
239.06985	1.7
241.04967	1.3
241.08531	0.8
251.06841	0.7
252.07739	1.2
253.08632	0.9
255.06598	1.1
257.11752	1.7
266.05746	4.1
267.06476	2.4
267.10208	2.7
269.08154	5.7
270.08749	0.7
273.11176	4.5
280.07431	0.8
281.08060	7.6
281.11609	1.8
283.06064	2.0
285.11179	6.9
295.06042	2.9
295.17105	1.3
297.07608	4.6
298.08273	2.4
309.07620	4.0
310.08337	3.6
311.05603	1.0
313.10718	30.0
323.16495	5.2
326.07770	1.4
341.10437	19.2
341.17462	46.9
342.17603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.175
Annotation	3-Hydroxy-4-isopentenyl-5-methoxybibenzyl-2-carboxylic acid
Peak:m/z	Relative Intensity
65.03947	1.1
69.72022	3.9
91.05486	60.6
105.03384	1.2
113.30067	0.7
115.98088	0.8
131.04961	0.9
135.04422	1.9
137.05974	1.0
147.04387	3.3
153.07071	0.9
159.04419	1.1
159.30980	0.6
163.03932	4.4
165.07077	1.5
166.07831	2.4
176.04681	1.6
178.06287	1.3
178.07773	0.8
179.08601	2.3
181.10161	2.8
189.05510	5.3
191.07022	7.1
191.08589	2.4
194.07167	1.7
195.08040	0.8
207.08061	1.5
209.09671	2.5
211.11322	1.1
213.08925	0.8
219.08134	1.2
227.07198	0.8
237.09114	4.1
238.06418	0.8
239.06970	1.6
239.10709	2.7
241.05135	0.9
249.09361	0.9
251.07104	1.1
253.08362	0.9
265.08719	1.0
266.05734	4.1
267.10175	100.0
268.10596	2.2
269.08139	4.7
281.05386	0.9
281.08023	5.4
283.06146	1.6
285.11230	8.4
295.06039	2.0
297.07556	3.1
298.08340	2.0
309.07529	3.1
310.08469	3.2
311.08914	0.8
313.10718	22.6
323.16434	25.5
324.16705	0.8
326.07867	1.3
341.10272	15.7
342.10385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1748
Annotation	Phosphatoquinone B
Peak:m/z	Relative Intensity
53.03939	3.1
55.05495	3.9
57.46360	1.1
60.19320	0.9
65.03944	2.1
65.13052	1.0
67.05486	3.1
69.07050	4.5
69.38780	3.2
69.39204	4.9
70.68972	1.1
78.57658	1.0
79.05493	10.9
81.07063	7.6
82.09200	0.9
91.05491	23.4
93.07048	93.1
95.04959	3.1
95.08588	2.8
105.07027	9.9
107.08597	70.5
109.06537	2.5
109.10114	3.0
119.08569	5.4
121.06512	17.2
121.10124	1.6
123.11715	1.8
133.10100	1.6
135.04408	1.8
135.11700	100.0
137.05951	2.1
137.13225	1.1
145.86705	1.1
147.11630	1.0
149.05966	5.3
151.03911	23.1
161.05951	2.0
163.03809	1.1
175.07520	1.3
177.05475	62.9
189.12769	1.2
191.07034	3.2
191.14255	2.4
193.04974	1.1
203.07108	2.4
205.04970	55.0
206.05640	2.1
207.06543	5.9
217.04991	2.4
219.06548	34.2
231.06531	4.1
236.30580	1.1
247.09625	1.2
249.11252	1.0
259.09607	2.0
261.11203	1.5
281.11655	1.7
285.11133	2.7
295.16925	2.5
313.10770	2.2
323.16342	6.4
341.17465	48.0
342.18091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03937	2.0
55.05512	2.8
55.43089	1.3
62.28285	1.4
67.05503	5.4
69.03428	1.4
69.07056	6.2
69.72398	8.5
71.05010	6.5
79.05499	3.5
79.64165	1.2
81.07060	14.9
83.04990	1.6
85.06548	3.9
91.05479	7.5
93.03408	2.0
93.07050	7.6
94.04193	2.7
95.04965	3.8
95.08609	9.0
103.05449	1.7
105.07040	6.1
107.05000	3.0
107.08622	5.4
109.06525	4.5
109.10165	2.7
111.08079	1.9
115.05466	1.8
119.08562	2.8
121.06517	1.4
121.10140	4.4
122.03661	7.7
123.11691	3.1
125.06006	1.8
128.06219	2.8
129.07005	6.9
130.06535	4.0
131.04939	1.8
131.08556	3.1
133.02832	7.1
133.10153	3.1
135.11763	1.7
137.05983	100.0
143.04965	1.7
143.08565	1.5
144.05693	3.0
145.06520	2.4
149.05959	4.3
149.13252	2.6
151.07559	6.6
151.11285	1.6
153.05513	1.3
157.06500	7.3
158.07202	1.4
160.05238	3.9
161.05945	2.1
163.07617	3.2
165.05511	3.9
167.07132	1.8
168.05687	1.6
172.05235	4.8
174.06787	7.4
175.07565	16.2
177.05557	7.4
177.09053	2.7
178.07777	1.6
179.07054	3.6
179.08542	1.5
187.05893	1.9
187.07555	34.7
189.09093	11.0
191.08553	3.7
196.05231	4.2
197.06047	1.7
199.07535	3.7
202.07851	3.4
203.08575	10.5
205.06494	2.8
211.07568	18.1
212.04839	2.2
213.05492	3.6
217.08623	13.7
219.08073	8.2
220.08838	6.6
221.09663	1.9
222.06778	1.6
225.05461	3.3
227.07059	14.7
228.07916	2.5
231.08009	15.3
232.08904	3.0
233.06001	3.3
233.09648	1.7
234.06543	1.3
235.07471	1.6
236.08342	2.6
237.09138	3.0
239.07043	13.1
240.07832	11.4
241.04843	2.7
241.08528	3.0
247.07564	8.0
248.08337	22.9
249.09178	3.3
250.06369	1.6
251.10675	4.7
253.08534	2.3
255.06505	11.5
256.07285	10.0
259.07574	6.0
261.09180	2.0
262.09781	2.0
263.10684	19.9
264.07739	2.6
265.08658	6.4
268.07382	3.5
269.07999	1.4
270.08862	23.6
271.09671	40.7
276.07825	11.9
277.08661	3.8
279.10107	9.8
281.08093	3.1
281.11661	2.8
282.08774	1.8
283.09695	11.2
285.10959	1.5
291.10150	50.3
292.10779	4.6
293.08224	6.5
295.09821	1.5
296.10397	4.9
297.11230	4.0
305.11624	2.1
308.10367	8.1
309.11118	2.0
311.12802	8.1
313.14453	1.9
323.12790	34.6
341.13913	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	341.1386
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03945	2.3
55.01852	2.6
55.05522	15.5
55.18753	2.0
57.07075	3.8
59.04995	2.2
67.05510	9.5
69.03423	2.5
69.06719	3.9
69.07072	45.4
69.53588	7.4
69.54017	6.4
71.04987	7.2
75.42080	1.7
79.05479	9.8
81.03383	2.7
81.07069	23.8
83.08617	3.4
85.06552	5.4
91.05481	14.0
93.07052	17.4
94.04178	4.1
95.04945	6.3
95.08617	16.3
97.06532	5.2
97.10184	2.4
98.97607	2.5
99.04430	3.1
100.11245	3.7
103.05490	4.4
105.07038	24.9
106.25318	1.8
107.04963	3.0
107.08611	12.2
109.06538	5.1
109.10180	9.9
111.04462	3.1
111.08060	3.1
111.11713	11.0
115.05470	2.0
117.07015	4.4
118.07974	1.7
118.75047	1.9
119.04964	3.1
119.08575	10.2
121.06490	3.0
121.10139	22.4
122.03652	9.0
123.11682	4.7
128.06219	2.8
129.07011	9.8
131.04933	3.9
131.08572	5.9
133.02864	6.4
133.10144	41.6
135.04434	2.4
135.11700	3.4
137.05988	100.0
137.13235	2.2
139.11182	5.2
143.04982	2.0
143.08557	4.3
144.05717	5.5
145.06577	3.7
145.10118	5.8
147.04407	5.4
147.08044	2.0
147.11653	3.1
149.05968	5.2
149.13297	5.2
151.03882	5.1
151.07547	6.5
151.11194	3.0
153.05457	5.2
157.06500	7.2
157.10123	5.9
159.11719	6.7
160.05264	3.9
161.06001	4.1
163.03908	5.5
163.07516	2.4
165.05533	5.0
168.05722	2.5
169.10130	1.9
172.05200	4.2
173.13327	2.7
174.06786	7.6
175.07581	21.0
175.11160	2.5
177.05460	10.9
177.09106	4.1
179.07080	3.6
187.07574	33.5
189.09074	11.4
191.07045	8.9
191.08582	3.3
193.10121	1.9
196.05249	7.1
197.05983	4.4
199.07550	6.9
200.16957	1.8
202.07823	5.1
203.08604	16.6
204.75291	2.2
205.06540	4.4
205.08473	3.1
210.06818	2.2
211.07549	18.2
212.04709	2.9
212.08154	1.8
213.05505	5.3
213.16280	2.2
215.08658	2.3
217.08630	12.0
219.08089	7.5
220.08812	9.4
221.09560	2.7
225.05431	3.0
225.09190	2.5
227.07018	18.9
227.17998	2.2
228.07957	4.4
231.08089	12.8
232.08693	3.6
235.07661	2.2
236.08307	2.1
237.09091	3.8
239.07013	10.7
240.07849	14.8
241.05077	3.5
241.08730	2.4
247.07567	5.6
248.08356	22.9
249.09134	3.9
251.06972	3.0
251.10812	3.0
253.08543	4.3
255.06514	11.9
256.07306	7.2
259.07568	6.0
260.08368	3.4
261.09067	2.6
263.10641	18.0
264.07910	3.0
265.08609	5.8
266.05643	5.3
267.10272	4.0
268.07324	4.9
269.08023	5.7
270.08862	23.0
271.09659	39.1
276.07947	12.7
277.08588	7.7
279.10278	9.4
281.08038	6.9
281.11481	3.4
282.08878	3.7
283.09631	14.9
287.23831	2.0
291.10178	56.3
292.10925	5.1
293.08090	6.5
295.06079	2.2
296.10571	5.2
297.07642	3.3
297.11050	2.9
305.11786	2.3
305.24823	3.3
308.10461	6.4
309.07443	3.2
309.11139	3.2
310.08109	2.8
311.12863	11.7
313.10730	20.2
313.14096	2.5
323.09296	4.0
323.12790	28.9
323.16324	3.8
341.10178	14.0
341.13904	22.0
341.21265	5.6
343.51111	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	341.1022
Annotation	Cornigerone
Peak:m/z	Relative Intensity
57.07064	1.8
60.08140	0.8
65.03951	1.1
65.50417	0.9
67.05498	1.2
69.87360	4.0
70.78302	0.8
71.08638	1.4
78.15219	0.7
81.07034	1.5
84.36786	0.8
85.10158	0.8
87.28206	0.7
91.05492	26.0
95.08614	1.1
107.04942	3.4
109.10110	0.9
121.06480	1.4
133.02878	1.1
135.04420	6.0
137.05983	2.3
147.04420	12.2
148.05150	2.3
151.03961	2.2
161.05984	2.8
163.03922	16.1
165.05565	1.3
165.06955	1.3
166.07802	1.0
175.03952	1.2
176.04692	4.3
178.06342	6.1
178.07726	1.4
179.08623	0.9
181.06418	1.3
185.05949	1.9
189.05458	2.9
191.07054	30.0
191.08539	1.2
193.04884	1.4
193.06543	0.8
199.07521	1.6
209.05959	1.8
209.09625	1.5
210.06830	1.3
211.07513	2.7
213.05482	2.2
213.09067	3.2
222.06918	1.0
223.07697	0.9
224.08353	1.3
224.53664	0.8
225.05377	0.7
226.06122	1.1
227.07037	3.8
237.05615	1.4
237.09167	2.0
238.06297	3.6
239.07011	4.3
239.10812	1.6
240.07716	1.1
241.04967	6.0
241.08658	2.1
242.09337	0.9
250.06390	1.4
251.03493	0.9
251.07086	3.8
252.07761	3.4
253.05124	1.1
253.08629	2.7
254.05936	1.2
254.09346	1.3
255.06522	3.5
257.11786	4.3
259.05655	0.8
265.05072	1.0
265.08426	0.9
266.05777	17.5
267.06586	8.8
267.10205	40.5
268.07248	0.9
268.10522	1.0
269.08112	17.1
269.10913	1.5
270.08780	1.2
280.07401	2.0
281.08124	24.3
282.08875	2.8
283.05988	5.9
284.06921	1.5
285.11234	3.5
294.05310	1.1
294.14090	0.8
295.06055	12.2
297.07587	15.5
298.08414	8.2
308.06653	1.1
309.07605	14.8
310.08356	12.3
311.05524	4.4
311.09134	1.9
313.10730	100.0
314.11273	1.4
323.16489	12.5
325.06763	1.0
326.07922	5.2
340.39279	2.1
341.10226	58.7
341.30624	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	341.1022
Annotation	Cornigerone
Peak:m/z	Relative Intensity
51.02370	0.6
55.05460	1.1
55.25880	0.6
57.07037	0.8
60.04485	0.9
61.42373	0.5
61.58891	0.6
62.37599	0.5
68.56870	0.7
69.07040	1.4
69.66010	4.1
71.08569	0.9
79.05453	1.1
81.07008	1.8
82.64933	0.7
83.08590	0.6
85.06480	0.6
91.05484	26.4
93.07009	1.1
95.04944	0.7
95.08553	1.0
98.21476	0.8
105.06946	1.2
107.04967	3.6
107.08541	1.2
109.10103	1.6
109.44201	0.6
121.06495	1.6
121.10139	1.1
133.02773	1.0
135.04431	6.9
135.11670	1.2
137.05914	2.0
141.62466	0.7
147.03378	1.0
147.04419	12.1
148.05107	2.7
151.03894	3.2
151.07455	0.7
159.04362	1.0
160.72844	0.6
161.05930	2.5
162.03091	1.0
163.03908	14.9
163.07538	1.2
166.07750	1.6
175.03835	1.9
176.04688	4.7
177.05321	0.8
178.06282	5.5
178.07664	1.1
179.08485	1.5
181.04898	1.1
181.06453	1.1
182.07292	0.7
185.05930	2.0
189.05412	2.9
191.07045	26.6
191.08636	1.1
193.04936	2.0
194.07263	1.2
195.08066	0.7
197.05937	1.0
198.09103	0.8
199.07426	1.2
209.05937	1.3
209.09569	1.8
210.06744	0.9
211.07515	2.6
213.05440	2.5
213.09193	3.2
223.03828	0.8
224.08328	1.3
225.05388	0.9
226.06250	1.4
227.07048	4.3
232.47838	0.7
237.05406	1.6
237.09029	2.1
238.06308	4.5
239.07047	5.5
239.10619	1.3
241.04982	8.4
241.08603	1.8
242.05745	1.5
249.05367	0.8
251.07054	4.7
252.07829	2.7
253.04814	1.2
253.08621	1.8
254.05890	1.1
254.09373	1.9
255.06656	3.5
256.07275	1.0
257.11813	4.2
265.08643	0.8
266.05753	16.7
267.06549	8.7
267.10144	45.9
268.07175	0.9
268.10364	0.9
269.08090	18.9
269.10681	1.6
270.08774	2.6
271.09576	1.1
279.06342	0.9
280.07135	2.2
281.08093	24.0
282.08759	3.2
283.06082	7.2
284.06735	1.2
285.11224	5.0
294.05255	1.0
295.06076	11.2
297.07587	17.2
298.08380	8.8
299.09097	0.9
308.06750	1.4
309.07544	13.3
310.08340	13.2
311.05484	2.7
311.09024	1.9
313.10696	100.0
314.10992	3.2
323.16422	13.1
325.07043	1.1
326.07806	5.4
328.48862	0.7
341.10214	57.2
341.16858	1.5
341.29041	3.1
342.10605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.102
Annotation	Vitexdoin D
Peak:m/z	Relative Intensity
65.05671	0.6
69.65788	3.6
69.66199	1.1
77.22714	0.6
82.45808	0.7
87.59428	0.6
91.05501	0.7
108.72910	0.6
119.26753	0.6
121.06465	0.7
147.04420	4.4
151.03920	1.5
161.05930	0.7
163.03932	2.1
175.03937	0.9
176.04698	2.0
178.06252	1.0
185.05991	1.8
191.07048	8.0
208.04892	0.7
209.05876	0.7
210.06779	2.5
213.05449	1.7
213.97716	0.7
214.06227	1.4
217.04977	0.6
221.06020	1.1
222.06694	1.2
223.03934	1.0
224.08366	0.7
225.05453	0.8
227.07065	4.1
235.07553	1.8
237.05444	1.2
238.06242	11.7
239.07050	6.2
240.07729	0.8
241.04959	15.2
242.05696	2.2
249.05511	2.7
250.06267	1.7
251.03398	1.3
251.07028	5.1
252.07791	1.7
253.04976	2.4
253.08588	2.3
255.06531	2.9
265.08655	2.1
266.05759	47.7
267.06534	20.8
269.08133	2.2
270.05231	1.5
277.04898	3.2
279.06509	1.2
280.07227	1.8
281.08102	58.1
282.08600	2.1
283.06061	5.1
294.05130	1.4
295.06033	35.6
296.06464	1.2
297.07776	3.6
297.10895	0.8
298.08255	1.9
308.06805	2.4
309.07584	32.7
310.08377	38.5
311.05566	10.1
311.09012	1.8
313.07196	0.7
313.10669	13.4
325.07172	0.8
326.07849	7.5
341.10217	100.0
342.10455	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.102
Annotation	Vitrofolal F
Peak:m/z	Relative Intensity
52.08196	0.4
54.32124	0.5
54.60176	0.4
68.99779	0.6
69.00189	0.5
70.99987	0.5
71.00316	0.7
79.05474	0.7
91.48998	0.4
94.12072	0.4
102.69846	0.4
104.25452	0.4
107.04958	3.6
121.06499	1.0
130.04100	0.5
135.04413	5.2
137.05983	2.2
147.04414	12.4
148.05185	2.6
151.03889	2.6
161.05946	2.8
162.03102	1.1
163.03908	14.8
164.04288	0.7
165.05461	0.5
165.06985	0.5
169.06361	0.6
171.08037	0.5
175.03897	2.3
176.04672	4.6
177.05449	0.6
178.06273	6.9
181.04971	0.8
181.06444	1.8
182.07230	0.5
183.08037	0.5
185.06001	2.7
191.07025	28.7
192.07423	0.5
193.04907	1.9
193.06535	0.9
195.07941	0.6
196.05078	0.6
197.05881	0.9
198.06711	0.5
199.07530	1.4
208.05070	0.5
209.05980	2.0
210.06729	1.7
211.07480	1.7
213.05431	1.6
213.09077	3.3
214.06354	0.5
215.06990	1.0
221.06039	0.5
222.81143	0.5
223.03899	0.6
223.07423	0.6
224.04596	0.4
224.08388	1.1
225.05551	0.6
225.09206	0.7
226.06276	0.9
226.09778	0.7
227.07018	3.6
235.07535	0.8
236.04727	0.5
237.05424	1.5
238.06268	5.0
239.07045	5.0
240.07747	0.8
241.04953	6.9
241.08568	2.3
242.05653	1.3
242.09441	0.6
249.05443	1.1
250.06239	0.8
251.03503	1.0
251.06970	4.3
252.04102	0.5
252.07733	2.8
253.04929	0.8
253.08554	2.2
254.05708	1.4
254.09369	2.0
255.06589	3.3
256.07324	0.7
257.11743	5.3
265.05011	1.1
265.08600	1.0
265.88422	0.6
266.05734	16.9
267.06488	9.1
268.07025	0.5
269.08084	19.2
270.05225	0.7
270.08789	2.4
271.09656	0.9
277.04865	0.7
279.06622	1.0
280.07349	1.8
281.08078	25.4
282.08676	2.6
283.06003	6.0
284.06680	1.4
285.11279	1.4
294.05017	1.0
295.06018	12.4
296.06686	0.9
297.07581	17.3
298.08392	8.4
299.09064	0.8
308.06741	1.2
309.07565	13.3
310.08365	13.9
311.05423	3.6
311.09021	2.3
313.10690	100.0
314.10977	2.8
325.07065	0.9
326.07794	6.1
341.10205	53.1
342.10559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03940	0.4
55.01871	0.2
57.03423	0.3
61.02920	0.3
69.03413	1.1
71.06233	0.5
72.08160	0.4
75.24734	0.3
77.03967	0.4
79.05480	0.5
81.03404	0.8
85.02913	2.4
89.03906	0.8
91.05464	0.3
95.04937	0.4
96.78094	0.2
97.02877	0.8
98.97525	0.3
105.03385	0.6
106.02917	0.3
107.04953	0.5
109.02882	0.6
117.03379	0.7
123.03553	0.5
123.04435	10.6
124.07597	0.3
127.03938	0.5
131.04967	0.2
133.02859	9.3
135.04433	2.7
136.07629	0.3
137.05981	0.8
145.02832	0.4
147.04425	0.4
151.03902	4.0
163.03906	3.4
164.07156	0.4
172.73102	0.2
179.03400	100.0
180.03752	0.5
191.07007	0.7
209.08879	0.5
209.11980	0.2
248.67329	0.2
266.05740	0.5
267.10144	0.3
281.08075	0.6
295.12979	0.3
309.07571	0.3
313.10657	1.4
323.12268	0.4
341.09006	0.5
341.13617	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	12.0
69.51879	5.3
71.95252	1.7
83.19042	0.8
84.29189	0.8
98.20747	1.4
98.97588	94.9
116.98625	39.6
123.76701	0.8
132.96623	1.2
134.99670	10.1
140.00148	1.3
156.96622	3.9
172.94371	2.3
174.97650	18.6
190.95544	3.6
192.98729	7.4
198.97557	4.6
214.95645	11.0
216.98706	48.3
219.02232	1.1
232.96660	18.4
234.99768	55.6
238.95667	1.0
240.00386	1.2
240.98625	2.2
250.97731	7.0
256.93954	1.4
256.96677	23.0
256.99234	1.6
258.01358	1.7
258.99799	16.8
259.99863	2.1
271.58823	0.8
274.97705	46.7
277.00842	17.9
278.00964	1.0
280.96780	2.7
289.96173	1.3
292.98578	8.1
294.98859	0.9
298.97754	77.6
299.97800	2.0
312.98868	1.1
316.98819	100.0
317.98923	3.4
330.92908	1.0
334.99783	2.0
340.00357	2.0
340.98825	26.5
358.99857	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.0
59.85136	0.9
60.04510	1.1
67.05508	1.9
69.03422	2.0
70.04805	3.2
70.06589	1.4
71.05009	1.0
72.08144	3.0
74.03537	1.0
81.03426	1.9
81.07059	1.9
83.05013	1.9
84.04474	1.2
84.08109	0.8
85.02905	2.6
86.09711	1.4
91.05480	3.0
93.07067	0.9
97.02911	1.5
98.20815	1.0
98.97580	1.7
100.43822	0.9
102.05550	4.7
105.07036	2.1
110.06032	1.8
115.05444	2.9
117.05750	1.7
118.06554	41.4
119.08581	1.2
121.02820	1.2
122.06048	1.3
124.07553	1.8
127.03898	1.4
132.08098	24.6
136.07581	1.1
137.05986	1.5
138.09123	1.6
142.06529	1.8
145.02888	1.5
146.03218	1.2
147.08035	1.0
150.05508	1.3
156.10265	1.1
157.10179	1.2
160.07587	100.0
161.07942	1.6
166.08574	2.1
177.05432	1.1
178.05977	2.0
178.08655	18.6
179.03322	1.6
182.08150	1.0
194.43837	0.9
204.12361	1.6
302.78824	0.9
304.11804	0.9
322.20081	2.0
340.14069	1.3
340.17490	1.5
340.21362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43198	1.2
56.96588	1.2
65.43478	1.2
69.03423	1.6
70.06591	1.6
71.49568	2.6
71.50019	1.1
72.08147	3.9
77.48792	1.1
81.07050	1.7
83.04969	2.0
83.60657	1.1
85.02901	2.8
91.05483	3.2
93.07053	1.8
102.05557	4.2
105.07043	2.5
115.05440	2.7
117.05745	2.1
118.06550	42.5
122.06029	1.6
124.07599	1.3
128.10698	1.2
132.08096	26.3
136.07501	1.4
137.05992	2.5
138.09180	1.8
142.06535	1.9
146.03159	1.6
146.05933	1.1
146.60170	1.1
160.07590	100.0
166.08673	3.0
174.64088	1.2
178.05891	3.1
178.08640	18.0
204.12444	1.5
248.13567	1.4
322.20108	1.7
340.13834	1.9
340.17801	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	340.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01882	0.6
55.05511	1.5
56.05035	5.1
57.03434	1.4
58.06595	1.6
67.05505	2.2
69.03426	2.2
69.07069	1.3
69.37878	2.5
69.38304	1.7
71.04993	0.7
72.08161	4.1
74.06097	3.2
75.04475	1.7
77.03895	0.6
79.05500	5.6
80.66205	0.5
81.03413	1.0
81.07053	4.6
83.04988	1.6
84.04512	1.6
84.08121	0.5
85.02957	0.8
85.70709	0.5
91.05492	5.7
93.07052	34.2
94.07383	0.9
95.04979	1.8
95.08601	2.7
96.08154	0.9
97.02921	1.1
97.06549	1.7
97.08932	0.6
100.11249	0.8
102.05550	100.0
105.07039	3.7
107.08600	4.2
109.06516	0.7
111.08102	2.4
112.11247	1.2
113.06040	0.9
117.03400	0.8
119.08585	1.4
121.06488	1.4
121.10152	28.2
123.08073	1.1
123.11729	1.8
126.09198	0.8
128.10735	4.7
131.08594	2.8
139.11183	2.3
145.02864	1.3
146.03210	1.4
149.09639	5.7
156.10207	6.3
174.11264	5.2
177.05476	1.1
178.05838	2.3
265.21262	0.6
276.19510	4.5
294.20657	11.9
312.21628	2.3
322.20166	15.9
340.21225	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00527	0.8
51.27827	0.8
53.03952	1.1
53.56978	0.8
53.57832	0.8
55.01878	2.1
55.05507	2.5
56.05045	5.5
56.96563	2.2
57.03416	1.6
57.07061	0.8
58.06585	1.8
61.02925	1.3
61.95107	0.9
63.08177	0.8
65.03944	1.5
67.05511	12.4
69.03433	5.7
69.07059	2.5
70.06585	2.6
71.01356	1.1
71.04649	1.1
71.05000	17.2
72.08163	8.5
74.06068	3.3
75.04497	0.9
77.17390	0.9
79.05490	2.4
81.03416	4.1
81.07067	15.2
82.06558	1.8
83.04974	2.5
83.06103	1.4
84.04502	2.8
84.08149	5.0
84.95957	0.9
85.02906	4.0
85.06551	5.2
89.03933	2.1
91.05463	3.8
93.07049	2.0
94.06554	1.2
95.04961	3.5
95.08593	2.1
96.04472	1.4
96.08141	1.6
97.02903	4.3
97.06502	0.9
98.97581	3.7
99.04448	0.9
99.08106	0.7
102.05550	100.0
102.09175	1.2
103.05445	2.1
105.07037	2.5
106.06612	0.9
107.04945	1.5
107.08637	1.5
108.04428	1.0
109.02880	2.8
109.06543	1.8
110.06050	13.7
110.97553	1.1
112.07620	2.3
116.98618	1.7
117.03374	6.3
117.07037	1.0
119.04962	2.3
119.08562	2.2
120.08093	1.2
121.02822	1.2
121.06485	0.9
122.06046	15.3
123.08072	0.8
123.11701	3.4
124.07598	3.0
127.03929	1.7
128.07127	1.1
128.10724	10.5
129.07066	0.8
131.04950	1.4
133.06485	2.3
135.04417	2.3
136.06158	1.6
136.07582	15.7
137.05980	2.2
138.05504	15.6
138.09152	2.8
140.07092	4.4
141.12747	22.4
143.00162	0.7
145.01701	1.4
145.02849	12.3
145.06522	1.3
146.11830	1.1
147.04417	4.5
147.08029	0.9
148.07520	1.1
149.05966	2.5
149.09631	1.0
150.05461	7.1
152.07098	4.5
154.08635	2.7
156.10210	5.9
159.09206	2.1
159.13808	7.7
161.05989	2.1
161.09569	0.9
163.03928	5.7
164.07086	19.0
166.05006	16.3
166.08635	1.7
167.07028	1.6
168.06590	2.6
170.05940	1.0
170.08098	1.5
172.07544	1.3
172.09720	2.5
173.07103	1.1
174.11287	4.2
174.33679	0.9
175.03984	0.9
177.05461	25.3
177.14842	4.6
181.04993	1.3
182.08134	15.2
187.08752	1.5
188.07054	1.7
193.08607	1.8
196.14528	1.3
201.06689	1.7
205.06468	1.3
205.09874	1.6
207.03288	0.9
207.06467	5.2
215.08200	4.8
217.09877	1.0
219.06500	1.3
219.90410	0.9
221.08035	0.9
237.02625	1.2
237.07428	1.3
243.07722	5.6
243.11456	1.2
245.09206	1.2
258.11453	1.1
261.08673	2.7
271.07138	1.1
275.13828	1.0
279.06476	1.2
285.12137	1.3
286.10767	1.2
289.08228	9.2
293.14941	7.0
303.09891	1.2
303.13162	4.4
304.11826	1.2
307.09259	2.7
311.12674	1.3
311.16064	15.7
321.10223	3.7
321.14429	7.0
322.12698	1.4
339.11359	8.3
339.15497	70.1
339.18973	3.6
340.15729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1593
Annotation	Hildgardtol A
Peak:m/z	Relative Intensity
55.01859	0.7
55.05489	0.6
56.41273	0.5
65.03935	1.2
66.91681	0.7
67.05493	3.2
69.07061	0.9
69.87993	3.1
71.04999	0.9
79.05491	1.8
81.03426	0.7
81.07049	0.9
84.20514	0.6
91.05483	66.3
95.08586	0.9
102.84251	0.5
103.05465	4.2
105.03378	2.3
105.07035	15.7
109.10141	0.7
115.05438	2.6
117.07010	1.6
128.06186	0.7
129.06992	1.5
131.04973	3.6
133.06442	1.2
138.51706	0.6
141.06969	2.5
145.02823	0.9
145.06433	1.2
147.04369	0.5
148.12181	0.6
149.05968	1.0
152.06194	0.7
153.07016	1.1
155.08572	0.9
157.06519	0.6
159.04396	3.0
161.05969	2.7
165.07033	4.5
166.07774	8.4
167.08492	0.6
173.05952	2.0
175.07536	1.8
177.05521	4.8
178.07799	3.6
179.08580	5.4
181.06490	0.8
181.10124	8.2
183.08093	2.7
185.09682	0.6
188.47737	0.6
189.05464	12.9
189.06934	0.7
189.09116	2.1
190.07745	1.4
191.08559	7.3
193.10121	1.8
194.07278	5.1
195.08063	1.0
197.09605	1.3
201.05463	4.6
203.07100	1.3
203.10703	2.0
206.07321	0.8
207.08032	1.7
208.08858	1.1
209.09621	5.8
210.10159	0.8
211.07558	1.8
211.11044	0.9
213.09114	1.0
215.07014	1.8
215.10648	2.1
217.08592	4.0
217.12065	0.7
219.08180	3.6
221.09625	2.5
223.11220	0.9
224.08276	1.3
225.09009	1.2
235.07549	1.2
237.09123	10.8
239.10674	5.9
243.10135	5.8
249.09169	3.1
251.10695	1.9
253.08498	0.8
255.07765	0.6
255.10173	2.9
265.08594	0.9
267.10175	100.0
268.10529	1.8
279.10187	8.6
281.11795	1.0
288.11752	0.7
291.10101	1.3
293.15393	1.1
295.13336	9.3
295.16876	1.6
297.11188	1.0
303.14020	0.8
321.14844	24.5
339.15915	69.3
340.16248	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1592
Annotation	3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
53.03947	1.2
55.01852	0.8
55.05502	1.5
63.02385	0.7
67.05516	1.0
70.36807	1.7
70.37212	2.0
79.05487	4.2
81.07045	3.4
91.05483	23.0
93.07034	6.8
95.04933	1.3
103.05442	1.3
105.07039	57.8
107.08595	2.3
109.10690	0.9
109.59238	0.9
113.14931	1.0
117.07007	2.7
118.07817	1.0
118.38535	0.9
119.08549	1.6
120.36057	0.9
121.06509	19.0
121.10125	1.6
131.08583	5.1
133.10139	100.0
135.04385	1.7
135.11682	5.7
143.47475	0.8
147.11676	2.0
149.02324	1.8
149.06006	6.1
151.03912	11.7
157.10181	1.2
161.05896	1.0
166.07715	1.3
171.11635	1.2
177.05484	83.7
189.05415	1.2
193.05006	5.3
197.09616	1.5
203.07011	2.3
205.04976	90.8
206.05534	1.4
207.06483	2.7
215.10632	2.8
217.04900	1.5
217.08606	2.7
219.06520	5.6
233.08037	1.1
243.06441	1.0
245.08124	42.6
257.04504	1.0
259.09598	3.0
267.10153	7.3
271.09546	1.3
282.08261	0.9
283.09662	5.0
293.15356	2.9
300.70749	1.0
321.14899	7.9
339.15829	30.2
339.19189	3.6
339.27567	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1594
Annotation	Hildgardtol A
Peak:m/z	Relative Intensity
65.03893	0.6
67.05499	1.9
69.07069	1.3
69.60149	3.9
70.18487	0.5
79.05497	0.9
81.07039	0.5
91.04946	1.0
91.05481	9.8
98.21468	1.1
98.97596	0.7
103.05475	2.6
105.03394	1.7
105.07034	3.4
109.12128	0.5
115.05434	1.0
117.07001	1.3
119.04950	0.7
121.06490	0.7
129.07028	1.1
131.04903	1.9
133.10110	2.8
141.06938	1.2
145.06508	1.1
147.04398	0.8
153.06946	1.6
155.08554	1.3
157.06476	0.6
159.04388	1.6
161.05998	2.4
165.07025	2.5
166.07750	3.8
167.08557	0.8
171.08047	0.8
172.08919	0.6
173.05989	1.1
175.03909	1.3
175.07616	1.3
177.05536	3.1
178.07832	1.7
179.08612	1.5
181.06520	0.7
181.10138	3.2
183.08051	3.6
185.06009	0.6
185.09665	1.1
187.03909	0.8
187.07544	1.6
188.08366	0.9
189.05502	2.4
191.08578	2.3
194.07289	1.6
197.09613	2.6
200.04675	0.7
201.05490	2.3
203.10672	2.4
205.05016	2.2
207.07939	0.7
209.09608	2.6
211.07549	5.4
213.05397	0.8
215.07047	5.5
215.10619	4.4
218.10901	0.7
219.08147	1.2
221.09657	0.8
223.11212	1.2
224.08195	0.7
225.09157	1.8
230.09256	1.1
235.07613	1.2
237.09111	5.3
238.09975	0.7
239.10687	1.3
243.10149	12.9
245.08098	1.5
249.09178	1.4
251.10686	1.9
253.08614	2.7
255.10187	0.8
261.09030	0.7
263.10840	0.7
265.12457	0.6
267.10165	20.6
273.09189	0.7
279.10266	3.2
281.11639	1.1
283.09692	1.6
288.11429	1.0
290.13101	1.0
291.10287	2.7
293.12222	0.8
293.15463	1.8
303.13806	1.0
306.12515	0.7
321.14868	100.0
322.15146	1.7
339.15894	10.8
339.27573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1594
Annotation	Hildgardtol A
Peak:m/z	Relative Intensity
65.03941	1.0
67.05501	1.5
69.07090	1.2
69.60976	5.6
75.89497	0.8
79.05514	1.0
79.57224	0.7
81.07043	0.9
86.97946	0.8
87.88267	0.8
90.49277	0.8
91.05486	42.1
97.28729	0.8
103.05487	4.9
103.06033	0.8
105.03440	3.9
105.06375	1.2
105.07037	14.4
115.05439	2.7
117.07009	1.7
120.56612	0.8
129.06985	1.4
131.04929	2.9
137.06001	1.0
141.06973	2.8
142.07790	0.9
143.08545	0.9
145.06464	2.2
149.05962	0.9
152.06183	1.0
153.06995	1.8
155.08542	2.6
157.06491	0.9
159.04433	3.7
159.08078	0.8
161.05991	3.6
165.07010	4.6
165.19633	0.8
166.07794	6.4
171.08047	1.3
173.05927	3.9
175.03978	0.9
175.07571	2.3
178.07814	3.7
179.08549	4.2
181.06473	1.2
181.10072	5.9
183.08101	5.3
185.06001	1.3
187.03879	1.9
187.07564	1.7
188.08290	1.1
189.05493	8.2
189.07086	1.3
189.09109	1.7
190.07826	1.7
191.08563	5.9
193.10194	2.0
194.07318	4.0
195.07939	1.1
197.09583	2.7
201.05432	5.3
202.07710	1.2
202.09828	1.0
203.07016	3.0
203.08852	1.4
203.10658	5.1
205.10043	0.8
207.08047	2.3
208.08876	1.2
209.09705	4.6
210.10269	1.1
211.07542	5.8
211.11208	1.4
213.05478	1.1
215.07101	7.4
215.10745	6.6
217.08444	4.4
218.10948	1.0
219.08112	1.9
221.09669	1.8
223.11188	1.7
225.09123	2.0
226.30440	0.8
228.09479	1.2
235.07472	1.3
237.09100	9.7
239.10765	2.3
243.10161	15.8
245.09479	1.2
249.09219	2.5
251.10672	3.5
253.08626	3.2
255.10220	1.1
261.08646	0.8
263.10721	1.4
264.07819	0.9
265.08594	1.3
267.10175	61.1
279.10120	7.8
281.11844	1.5
283.21445	0.9
291.10141	2.9
293.15265	2.7
295.13339	5.7
300.13794	0.8
303.13748	1.1
321.14865	100.0
322.15192	2.2
339.11929	2.0
339.15906	28.2
341.16946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1591
Annotation	Hildgardtol A
Peak:m/z	Relative Intensity
57.07075	0.6
65.03938	2.2
67.05514	3.4
69.03438	0.4
69.07075	0.6
71.00219	1.0
79.05486	1.0
81.07038	1.1
85.06540	0.8
87.11884	0.5
91.05485	71.5
93.07037	0.8
95.04957	0.6
95.08658	0.5
103.05476	3.1
105.03400	4.0
105.07045	3.9
109.06461	0.8
110.75871	0.4
115.05452	1.5
117.07061	1.0
119.08571	0.7
127.60133	0.4
131.04918	4.8
133.10100	0.6
140.09929	0.5
141.07028	1.3
143.08574	0.8
145.02921	0.5
145.06447	0.7
149.02379	3.1
149.05974	1.2
153.06992	2.2
155.08542	0.8
159.04454	3.9
161.06078	2.4
165.06995	5.4
166.07784	8.0
167.03426	2.0
167.08568	1.7
173.06000	2.7
175.03932	0.5
175.07607	0.7
177.05495	2.7
178.07741	4.3
179.08560	7.9
181.06532	1.3
181.10120	8.2
183.08089	1.6
185.05998	0.5
187.07578	0.7
188.08218	0.6
189.05469	11.2
189.06966	0.7
190.07788	2.0
191.08546	5.8
192.09364	0.5
193.10097	1.4
194.07269	4.9
195.08099	1.2
197.09631	1.1
201.05492	3.5
201.09160	0.6
203.06969	1.3
203.08794	0.4
203.10680	1.8
205.04965	0.7
206.07333	0.7
207.08098	2.1
208.08913	1.2
209.06073	0.5
209.09630	7.5
210.06793	0.6
211.07455	2.7
211.11218	1.4
213.09119	0.9
215.07065	1.8
215.10646	2.4
219.08070	3.6
221.09688	0.8
222.06688	0.7
223.07486	0.6
223.11256	0.6
224.08327	2.0
225.09091	1.1
227.10670	0.5
229.75298	0.5
235.07614	1.7
236.08298	1.0
237.09119	11.5
239.10670	4.8
243.10109	4.2
249.09081	2.7
251.10690	1.9
253.08630	1.4
255.10237	2.2
263.10675	0.6
265.08667	6.5
267.10172	100.0
268.10495	1.6
279.10172	5.2
281.11703	0.7
283.09616	3.7
285.11063	0.5
291.09998	0.6
293.15320	1.3
295.13330	1.2
303.13663	0.8
306.12329	0.7
321.14871	21.4
322.15085	0.6
339.15930	67.8
340.16464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1594
Annotation	Hildgardtol A
Peak:m/z	Relative Intensity
57.03434	2.3
62.06096	26.8
63.06433	2.8
67.05503	5.0
67.93926	1.8
69.07070	3.1
69.42001	1.5
69.98914	5.3
69.99315	3.8
79.05483	4.8
81.07051	6.0
82.64095	2.0
83.79034	1.7
84.13871	1.7
91.05486	26.6
93.07040	5.1
94.40609	1.6
95.08613	4.0
97.06498	1.9
98.20873	2.6
98.37514	1.6
98.97632	2.1
103.05462	5.5
105.03365	4.4
105.07024	11.8
107.08587	3.8
115.05502	2.6
117.07072	2.2
117.73695	1.9
119.08611	2.6
121.10133	3.2
129.06960	1.8
131.04944	3.5
131.08597	2.3
133.10199	3.9
143.08543	1.9
147.04410	2.1
155.08540	2.3
157.06493	2.1
159.04393	2.8
161.06012	2.5
165.06990	2.1
166.07831	4.2
173.05998	4.0
175.07553	2.1
177.05392	2.8
178.07828	3.5
179.08604	3.0
181.10080	3.8
183.08167	3.4
185.09692	1.8
187.07596	2.8
189.05499	4.6
191.08559	5.2
197.09627	3.0
201.05515	5.6
203.06963	3.3
203.10744	4.2
209.09642	1.9
211.07555	4.8
215.07048	8.5
215.10574	8.6
225.09132	4.3
235.07547	3.2
237.09126	6.6
243.10165	15.3
249.09140	2.9
251.10641	3.3
253.08438	2.4
257.37762	1.8
267.10187	34.0
279.10184	5.0
293.15341	3.4
303.14145	2.5
321.14871	100.0
321.26196	16.0
339.08676	2.7
339.15967	17.5
339.27304	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
67.05517	2.8
68.87271	1.1
70.68514	1.8
70.68851	2.1
79.05498	5.5
81.03425	1.9
81.07066	7.9
91.05472	2.4
93.07036	2.2
94.06551	4.3
96.08099	3.2
98.97569	1.4
102.05521	4.1
109.06522	1.7
110.06044	9.6
120.01440	1.1
120.04443	1.7
122.06032	21.7
123.06781	4.5
124.07599	19.4
126.05562	1.4
134.05090	2.1
134.06026	19.5
136.07585	91.0
138.05502	2.5
140.07048	5.6
145.02835	3.1
150.05554	6.5
152.07076	99.4
154.08638	1.5
156.10274	1.5
158.08342	1.3
164.07079	100.0
168.06572	1.9
170.08147	12.6
172.11214	1.9
177.04047	1.2
177.05475	4.6
182.08147	26.2
184.09689	1.6
200.10657	1.6
214.12297	2.8
232.13382	2.3
242.11737	1.6
243.11295	1.3
260.12860	6.8
261.44058	1.3
285.12408	3.8
303.13409	58.8
311.15253	1.2
321.14401	10.6
339.15506	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	339.1592
Annotation	Hildgardtol A
Peak:m/z	Relative Intensity
55.05516	16.4
55.19146	2.3
55.88097	2.5
57.07072	10.0
67.05497	8.6
68.90688	2.9
69.07078	21.2
71.08624	5.4
71.58036	4.0
77.44507	2.5
79.05492	6.0
81.07073	12.8
83.08628	11.8
86.06084	3.0
91.05485	39.3
93.07053	8.6
95.08603	12.8
97.06586	2.9
97.10178	7.9
103.05464	5.5
105.03384	4.3
105.07041	24.6
107.08575	4.4
109.10152	6.0
111.08079	4.7
111.11703	3.4
114.09205	3.0
119.08600	6.0
121.10141	8.4
123.11669	5.5
128.10684	3.9
131.04890	4.4
135.11700	4.4
147.11630	3.4
149.06117	3.0
157.10071	4.0
159.11700	6.7
161.05936	3.8
165.07005	4.8
166.07753	8.5
173.05930	5.0
178.07846	5.4
179.08626	4.4
181.10110	5.9
183.08098	4.0
189.05463	8.9
201.05489	5.2
203.07031	3.4
203.10683	3.6
211.07599	6.7
215.07031	9.3
215.10629	5.2
237.09108	8.6
243.10204	16.1
267.10190	54.2
279.10391	5.8
304.30823	4.0
321.14862	100.0
321.31445	2.9
322.31668	3.8
338.34171	8.6
339.15958	34.4
339.26712	5.9
339.30612	4.4
339.34625	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	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.01597	0.4
53.03944	2.3
54.12770	0.3
55.01874	1.3
55.73826	0.3
57.03431	0.7
62.01611	0.4
63.02388	0.5
67.05511	0.6
68.98721	0.4
69.03434	5.8
71.04987	0.8
71.16149	0.6
71.16484	0.5
73.02904	0.5
79.05492	0.7
81.03423	17.9
81.07040	0.6
84.62613	0.3
85.02904	5.1
89.03919	8.3
91.05486	1.7
93.07046	0.6
95.04982	0.7
97.02898	1.6
98.97627	0.5
99.04469	1.9
103.05494	0.5
105.07015	0.5
106.04202	0.5
107.08603	0.6
109.02892	6.3
109.06509	0.4
111.31437	0.4
117.03388	25.9
117.07005	0.4
118.03693	0.4
121.06441	0.6
125.25488	0.4
127.03922	1.9
130.18935	0.4
131.04915	0.4
134.03651	1.7
135.04424	1.3
145.02852	60.9
146.03162	0.7
149.05983	9.2
151.03972	0.5
162.03171	0.5
163.03938	1.5
177.05476	100.0
178.05922	0.8
186.05492	0.9
195.06548	3.5
251.14902	0.4
255.47108	0.3
266.53198	0.4
273.60144	0.4
279.08661	0.6
321.09711	17.7
322.09937	0.5
339.04688	0.4
339.07690	0.8
339.10641	2.5
339.19312	0.8
353.09824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03951	2.7
55.05507	1.2
56.96577	0.6
57.03428	1.3
67.05476	1.3
69.03432	7.3
69.07066	2.0
69.92097	2.9
71.04984	1.1
73.02904	1.0
78.04750	0.6
79.05486	1.5
81.03425	19.8
81.07053	2.2
85.02911	6.1
85.06519	0.7
85.58210	0.5
89.03922	8.4
91.05481	1.7
93.07047	1.8
95.04954	1.1
95.08612	2.2
97.02898	1.2
97.06554	0.6
97.10152	1.0
99.04459	2.1
100.11235	0.5
103.05465	0.6
105.07021	1.6
106.04191	0.7
107.08590	1.9
109.02895	5.5
109.06519	0.6
109.10149	1.8
115.09695	0.5
117.03392	27.3
119.08598	0.9
121.10165	0.8
122.06040	1.8
123.11629	0.7
125.09620	0.7
127.03918	2.1
131.08549	0.5
132.74358	0.5
133.10136	1.1
134.03647	2.5
135.04420	1.2
135.11678	0.7
136.07588	1.3
137.05984	0.8
143.10577	0.6
144.04462	0.8
145.02858	62.6
145.10075	0.7
149.05997	8.5
163.03932	1.4
171.04480	0.6
172.03989	0.7
175.11267	0.6
177.05481	100.0
178.05849	1.7
186.05408	0.8
195.06546	3.6
204.06549	1.7
219.08112	0.7
279.08508	1.0
307.09677	0.8
311.12848	0.8
321.09702	18.5
339.12622	2.6
339.25436	0.6
349.44336	0.5
358.78864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0865
Annotation	CHEMBL1801784
Peak:m/z	Relative Intensity
50.52536	0.3
53.73035	0.3
55.67079	0.2
56.17931	0.2
56.67164	0.2
67.05493	0.6
68.09875	0.2
69.07072	0.4
69.71783	0.6
69.72188	1.1
72.61048	0.3
79.05522	0.3
81.07054	0.7
83.96282	0.2
91.05484	1.5
93.07031	0.5
95.08614	0.6
95.69034	0.3
98.97581	0.4
104.51070	0.3
105.07018	0.8
107.08632	0.5
118.04159	0.4
119.08652	0.3
133.10167	0.3
135.04410	0.7
141.07024	0.5
145.02870	0.4
151.03908	0.8
153.94099	0.2
168.04059	0.3
169.06473	0.5
177.05469	0.8
179.44563	0.2
181.06503	0.5
189.05563	0.3
191.08653	0.3
197.05995	2.1
208.59958	0.3
209.05925	0.5
211.07553	1.6
215.07152	0.3
224.04694	0.7
225.05496	1.5
235.03755	0.3
238.06206	0.6
239.06958	1.4
240.07889	1.5
250.06310	0.4
251.06995	0.5
252.04221	1.9
253.04941	2.4
265.05017	0.4
266.05728	1.7
267.06555	9.0
267.10138	1.4
268.07300	3.6
277.05167	0.3
278.05829	0.3
279.06378	0.3
280.03772	1.5
281.04462	3.0
283.05984	2.0
293.04721	0.5
295.06027	24.0
296.06775	6.3
307.09723	0.5
309.03992	4.5
310.04788	1.4
311.09131	3.7
321.14670	0.6
323.05493	4.9
323.09088	0.4
324.06308	5.9
339.08649	100.0
340.08932	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2693
Annotation	Melophlin J
Peak:m/z	Relative Intensity
52.40278	0.7
55.05505	2.5
56.96540	0.8
57.03443	10.5
62.06094	100.0
67.05203	1.0
67.05514	8.9
69.07061	2.5
70.29053	2.4
79.05503	9.5
81.06636	1.2
81.07068	12.6
83.08612	2.2
85.06546	1.1
91.05489	8.8
93.07052	13.3
95.04953	1.1
95.08609	11.1
97.10191	1.3
98.06063	1.4
98.20853	1.3
98.97603	3.1
105.07022	6.7
107.08601	6.4
109.10169	4.2
111.08101	1.3
117.07030	2.1
119.08591	7.0
121.10160	6.6
122.99238	0.8
128.82346	0.9
129.07042	0.9
131.08563	4.0
133.10110	6.1
135.11699	4.2
139.11151	0.9
143.08588	0.8
145.10152	4.2
147.11690	2.8
149.13242	2.3
159.11685	3.3
161.13248	1.7
171.11705	1.1
173.13229	1.4
175.14876	1.0
185.13246	1.2
187.14851	3.1
203.18092	0.9
221.18996	1.9
238.76460	0.9
252.65384	0.8
259.20557	1.9
264.23178	6.7
267.10110	2.2
277.21631	3.3
280.22620	1.0
282.24283	7.3
302.24988	1.1
320.25858	54.3
321.15021	4.2
321.24185	3.6
338.23291	1.2
338.26923	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	338.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.1
55.05516	8.5
56.96565	4.9
57.03450	1.0
61.50012	0.8
62.06092	100.0
67.05173	1.6
67.05509	22.9
69.07072	7.1
70.99828	1.6
71.04986	1.5
71.08620	3.9
71.75474	0.8
71.95264	1.4
79.05497	13.1
81.03419	1.1
81.07059	14.8
82.06597	1.3
83.04994	1.4
83.08620	3.3
91.05485	12.6
93.07053	9.9
95.04974	1.8
95.08612	9.6
97.10161	2.5
98.06055	2.2
98.97588	45.6
99.04438	1.4
99.08079	2.7
99.97913	5.7
105.07044	9.9
107.08606	10.8
109.06561	1.3
109.10154	8.5
116.98627	22.7
117.07053	2.3
117.98967	2.7
119.08582	5.6
121.10135	4.3
123.11698	2.8
124.11232	3.9
125.09624	1.3
129.06978	0.9
129.85712	0.9
131.08585	2.2
133.10117	3.2
134.99689	6.3
135.11697	4.0
135.99992	0.8
137.05952	1.0
140.00204	2.7
147.11656	3.3
149.13284	2.0
151.11166	0.9
159.11815	1.1
161.13280	1.9
170.11812	1.4
171.11751	0.9
175.14857	1.5
179.14316	1.5
196.13329	15.7
198.14969	1.3
202.03572	0.9
203.06982	1.8
214.14378	17.5
216.16000	1.5
222.18579	3.1
240.19630	5.0
241.19528	1.8
259.20554	2.5
267.10202	6.5
277.21527	4.6
278.15475	1.1
279.10202	1.4
279.13336	1.1
295.13330	1.0
320.16214	16.4
320.25848	45.0
321.14874	1.4
321.24185	4.9
338.13763	1.4
338.17331	18.1
338.26868	17.9
339.12170	1.5
339.15872	4.2
361.18887	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20548	0.8
53.03936	1.5
53.08788	0.7
53.27587	0.7
55.01867	3.9
55.05512	7.0
56.05032	4.1
56.96288	0.9
56.96566	14.0
57.03447	6.5
57.07055	1.1
58.06603	4.5
59.04988	2.3
61.02913	2.9
65.03926	1.0
67.05502	8.1
69.03431	15.9
69.07066	2.8
69.47464	5.9
70.06596	3.8
70.61735	0.7
71.04995	5.0
72.04509	1.0
72.08161	7.5
73.02917	6.2
73.06551	4.0
79.05487	1.9
81.03419	4.7
82.04194	2.2
82.06568	1.4
83.04980	11.5
84.08146	19.1
84.96027	2.3
85.02908	23.3
85.06544	4.1
85.08925	3.1
86.03249	1.0
86.06081	1.6
86.09707	2.5
87.04466	5.8
87.08098	1.6
91.03952	1.0
91.05473	3.3
93.03399	4.4
95.04964	1.3
96.08133	2.3
97.02888	17.3
97.06538	31.8
98.03222	1.2
98.09698	16.2
98.97581	33.4
99.04440	3.1
99.08083	1.2
101.02361	3.4
101.06023	1.3
102.09187	6.3
102.96905	0.9
107.04926	0.8
108.08158	0.8
109.02858	2.5
110.01287	0.9
110.07156	1.8
110.09682	3.3
110.97561	4.2
111.04438	12.1
112.07590	2.8
112.11296	0.7
112.99117	2.6
113.06014	1.5
114.09153	1.2
115.03930	3.1
115.07618	4.1
116.10735	58.8
116.98626	11.2
119.01820	1.4
119.03427	2.8
119.04974	0.9
120.08126	1.9
121.02866	1.2
123.08078	0.8
124.99152	1.7
125.05997	21.7
126.06261	0.8
126.09154	2.6
127.00634	0.9
127.03969	4.7
127.09966	1.5
128.01613	1.7
128.10718	15.9
128.98633	6.9
129.02148	0.9
129.09117	4.5
130.06529	0.9
130.08620	1.2
131.00183	3.0
131.04993	1.1
131.07030	1.4
133.05006	3.3
134.99675	2.5
136.07581	4.3
137.05988	2.7
138.06297	1.0
138.09117	1.6
140.07079	2.0
140.98576	1.2
142.08600	1.1
142.12274	3.7
143.00195	3.4
143.07050	6.4
144.10188	5.2
144.98106	1.0
145.01775	1.6
145.04948	2.7
146.99644	2.3
147.03171	2.3
147.04369	1.7
148.03908	1.0
149.01241	1.8
155.04646	11.5
156.10205	6.6
158.02725	5.5
158.05968	1.2
158.11772	2.1
158.99644	9.2
160.03957	1.2
161.01311	1.6
161.04706	1.5
162.05403	1.3
163.02765	1.4
163.05989	1.7
164.05190	3.1
164.07072	1.3
167.02785	1.0
168.03470	0.9
170.99672	2.7
171.03131	1.1
172.09656	1.3
173.01291	1.0
174.11241	4.4
175.54539	1.2
176.03596	1.6
176.05515	2.3
176.07092	3.9
176.12804	4.1
177.00699	8.0
177.04155	1.1
177.05397	1.5
177.06696	2.2
179.02214	0.8
182.03262	1.3
182.05228	0.9
185.01276	0.8
187.02693	0.9
188.12820	16.4
189.00742	2.7
189.04326	2.3
201.00749	2.4
204.12372	2.4
205.05510	3.8
206.13780	1.6
211.02722	1.3
212.06247	39.9
212.56425	3.7
213.00722	1.0
219.01720	9.1
220.15475	1.5
221.06863	1.9
222.04449	1.3
227.06779	15.6
227.56995	1.2
228.12274	1.2
230.13885	5.5
232.57779	1.2
237.02814	10.1
243.13208	1.2
247.56747	0.9
260.14941	6.9
261.02750	1.0
261.09641	1.6
264.10770	1.0
272.10144	1.9
274.12906	1.1
288.10660	1.0
291.07495	1.5
306.12271	1.5
306.15469	35.6
309.08536	4.8
320.12610	0.9
338.14532	6.0
338.18097	100.0
339.18539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11293	0.2
54.98630	0.4
55.05497	0.6
56.96569	12.5
65.55962	0.3
67.05497	0.9
69.07075	2.1
71.58437	0.4
71.95264	3.0
79.05483	1.2
81.07063	1.8
88.58143	0.3
91.05479	2.8
93.07047	1.3
95.08614	1.5
98.97588	100.0
105.07030	3.9
107.08593	1.4
109.06532	0.3
109.10155	0.7
116.98627	49.3
119.08575	2.7
121.10135	0.6
123.11716	0.3
131.08546	0.2
133.10135	0.8
134.99661	15.9
135.04324	0.3
135.11716	0.3
140.00183	4.1
147.11685	0.9
153.00743	1.4
158.01279	1.8
158.97035	0.3
174.84470	0.2
183.03452	0.3
187.07593	0.6
204.02663	0.3
207.31508	0.3
213.09294	0.4
235.92513	0.3
243.27780	0.3
267.10269	0.5
275.13269	0.3
277.14719	2.0
281.08176	1.0
293.14285	0.3
295.15976	1.0
301.14777	1.5
309.07727	0.4
309.14880	0.4
319.15848	30.9
320.16177	0.5
337.16962	29.1
338.17398	0.5
355.17831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
54.98629	0.4
55.05508	0.9
56.96571	13.7
59.13430	0.4
67.05517	1.7
68.05463	0.3
69.07075	4.0
69.78122	1.9
71.95278	3.1
75.01862	0.4
78.24809	0.3
79.05491	1.5
81.07066	2.6
83.08646	0.6
91.05486	3.4
93.07048	2.2
95.04981	0.4
95.08638	2.2
97.06493	0.4
98.97593	100.0
103.05466	1.0
105.07039	6.5
107.04987	0.3
107.08598	1.5
109.06538	0.4
109.10179	1.8
116.98634	64.8
117.07021	0.9
119.08591	6.0
121.10146	1.3
123.11751	0.5
131.00156	0.4
131.04919	0.4
133.06454	0.3
133.10168	1.4
134.99670	29.0
135.11699	0.6
135.96390	0.3
140.00201	6.1
145.10181	0.7
147.11697	1.6
153.00702	3.1
158.01297	3.4
159.11751	0.7
161.13245	0.5
163.03935	0.3
174.14140	0.4
176.02356	0.7
213.09117	0.5
214.13634	0.4
265.08548	0.4
267.10281	0.4
273.12671	0.8
277.14850	0.9
281.08185	1.1
291.13779	0.7
295.16071	0.4
301.14859	3.8
304.10666	0.6
309.07684	0.6
309.14825	0.5
314.16660	0.4
319.16025	27.7
333.21429	0.3
337.07071	1.4
337.10587	8.7
337.17023	24.0
355.17941	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	337.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.05506	1.0
56.96290	0.7
56.96570	14.6
66.91169	0.3
67.05515	1.8
69.07074	4.2
70.96503	0.6
70.96848	0.5
71.95274	3.9
76.54880	0.3
79.05512	1.6
81.07066	3.3
82.07404	0.4
83.08622	0.3
91.05486	3.5
93.07040	2.5
95.08609	2.3
97.06516	0.4
98.97590	100.0
103.05475	1.5
105.03439	0.4
105.07036	6.6
107.05009	0.3
107.08593	2.0
109.06522	0.7
109.10168	2.2
112.53253	0.3
116.98631	69.6
117.07043	0.7
118.99069	0.4
119.08592	6.9
121.10178	1.0
123.11723	0.5
131.00172	0.4
131.05017	0.4
133.10168	1.3
134.99666	35.3
135.04370	0.5
135.11734	0.6
137.06013	0.4
140.00206	6.4
145.10130	0.4
147.11728	2.0
153.00702	4.0
158.01280	4.8
159.11765	0.6
161.13326	0.4
174.14038	0.4
176.02417	0.5
177.05588	0.3
178.07845	0.4
183.03307	0.4
195.08121	0.4
203.17944	0.4
205.05020	0.3
213.09207	1.0
241.08559	0.5
255.88345	0.3
259.11243	0.4
265.08920	0.5
267.10330	0.8
273.12732	0.8
277.14816	1.5
281.08215	0.9
286.10095	0.5
288.11835	0.4
289.08829	0.3
291.13907	0.7
295.16183	0.5
299.09235	0.4
301.11948	0.7
301.14844	4.1
309.07626	0.7
319.16025	31.7
320.16153	0.4
337.07196	0.7
337.10580	8.4
337.17007	26.5
355.17947	16.1
355.22409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
55.05512	2.9
56.96328	1.0
56.96572	14.8
59.04982	0.9
67.05506	6.4
69.03417	0.9
69.07072	2.9
71.58261	1.0
71.95255	2.4
79.05475	2.6
81.07060	10.1
83.08615	3.5
87.35780	0.7
91.05482	14.5
93.07067	6.3
95.04962	1.0
95.08043	1.1
95.08622	14.1
98.97592	100.0
103.05496	1.6
105.03368	1.0
105.07043	11.3
107.08648	5.1
109.10175	13.7
116.98636	62.7
117.06988	1.2
119.04974	1.0
119.08593	7.6
121.10125	3.3
128.06195	1.3
129.06973	2.1
131.05020	1.1
131.08650	1.3
133.06467	0.8
133.10139	2.7
134.99680	22.4
135.04425	1.0
135.08023	1.0
135.11664	1.1
139.11172	5.1
140.00209	5.3
143.08562	1.8
145.10170	2.2
147.11691	5.8
150.03279	1.0
151.03954	0.9
153.00708	1.4
157.10098	1.8
158.01247	2.0
159.11665	1.6
161.06032	1.9
163.03932	1.0
165.06955	1.3
166.07860	1.7
169.10039	1.0
173.06126	1.2
173.09541	0.9
175.03903	1.7
178.07791	1.0
179.08568	1.1
181.10110	1.7
185.13286	1.2
187.07678	0.9
189.05511	2.1
189.09134	1.4
191.08627	1.2
199.14758	1.0
203.07019	1.4
203.17958	2.8
213.16650	0.8
217.08549	4.8
219.07997	1.5
225.09238	0.9
226.09819	0.9
235.07576	1.2
237.07805	6.5
239.10748	1.4
240.79439	0.9
241.08701	2.1
249.09067	1.3
251.07182	2.1
253.08664	6.8
255.09071	8.3
267.10202	8.1
267.12781	1.3
273.09006	1.0
275.13147	1.4
277.08630	5.4
277.11237	0.9
277.14801	1.0
278.10745	1.3
281.07944	1.0
291.10153	1.3
293.14215	1.8
295.09647	2.6
295.13269	8.4
296.09796	1.1
301.11899	0.9
301.14810	11.5
309.07538	2.4
309.14862	3.2
319.09674	2.4
319.13254	5.2
319.16107	30.9
337.07208	2.4
337.10544	5.2
337.13776	4.0
337.17291	38.0
337.25131	2.6
355.17947	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	337.1436
Annotation	Hildgardtene
Peak:m/z	Relative Intensity
51.17343	0.4
53.03943	1.4
53.66740	0.4
55.01872	0.5
55.05519	0.9
56.96564	1.0
67.05497	0.9
69.03426	0.9
70.70105	0.5
70.70418	0.8
77.03950	0.5
79.05495	7.7
81.03421	0.6
81.07066	1.4
91.04955	0.8
91.05493	10.4
91.06069	0.6
93.07034	1.2
94.13238	0.5
95.04984	2.0
95.05505	0.4
95.08603	1.1
98.97581	1.2
103.05476	6.5
105.03432	0.8
105.07037	100.0
106.07361	0.8
107.04955	0.6
107.08620	0.9
109.10154	0.7
115.05450	0.6
116.98649	0.6
117.07012	1.3
119.08590	1.4
121.06508	0.7
121.10119	0.8
128.06226	0.8
129.07024	2.2
131.04924	1.0
131.08589	1.2
132.30205	0.4
133.10135	0.6
135.08086	0.5
135.11655	0.5
141.07007	1.1
142.07753	1.2
143.08551	0.5
144.05652	0.5
145.06499	0.7
145.10161	0.6
147.04420	0.7
147.08002	0.5
155.08559	0.8
157.06490	0.7
157.10153	0.8
158.07265	1.2
159.08041	1.4
161.06015	0.9
161.09605	0.5
162.06845	0.5
163.03897	0.5
164.08437	0.5
171.08040	1.0
172.08800	0.7
173.06032	0.6
173.09604	1.3
175.07472	0.6
175.11200	0.6
177.05431	1.0
178.07726	0.6
181.05032	0.7
181.10098	0.5
185.09587	0.5
186.06750	1.1
187.07550	12.4
187.11205	0.7
188.08327	1.4
189.09087	1.8
190.07976	0.6
191.07034	1.9
192.07738	0.8
198.06821	2.3
200.08319	1.5
201.09131	11.0
202.09895	2.8
203.06990	0.7
205.04964	0.8
209.09601	0.6
213.09099	12.8
215.07039	0.8
215.08740	0.6
215.10640	5.9
216.09206	0.5
217.08542	0.5
223.02780	0.5
226.06329	0.9
227.07126	0.4
228.07819	1.2
231.06487	4.0
233.07932	0.8
234.10298	0.5
241.08607	17.2
245.07976	1.0
246.08896	4.0
251.07053	1.0
259.09619	4.9
261.09067	0.8
265.04871	0.7
267.10229	0.9
289.08585	1.0
291.13785	1.6
293.04434	1.1
293.12033	0.7
293.15372	12.3
301.12421	0.8
309.07581	1.6
309.14874	1.1
319.13306	32.8
320.13437	0.6
337.07474	4.6
337.10858	1.5
337.14313	19.0
337.28784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1436
Annotation	Hildgardtene
Peak:m/z	Relative Intensity
53.03960	1.1
55.05504	1.5
56.57310	0.6
56.96558	0.9
65.03926	0.9
67.05513	0.8
69.03424	0.8
69.07073	0.8
69.86516	2.9
76.26636	0.6
76.52218	0.6
79.05489	3.5
81.07043	2.1
91.05486	32.5
93.07042	2.5
95.08625	1.4
98.20755	0.9
103.05476	5.3
105.03380	2.8
105.07040	21.5
107.16695	0.7
109.10153	1.1
115.05503	0.7
117.06994	2.0
119.04952	1.0
119.08595	1.2
128.06184	0.6
129.06996	1.3
131.04974	3.2
131.08568	0.7
132.10004	0.7
133.06476	1.4
133.10159	0.8
135.04413	0.6
135.11821	0.7
137.05931	0.9
141.06998	1.8
143.08543	1.1
145.10133	0.9
147.04327	0.9
147.08038	1.2
147.11577	0.9
149.05998	1.7
151.03928	0.6
153.06969	1.5
157.06454	1.0
158.07196	0.7
159.04420	3.2
159.08051	1.5
161.06006	3.1
161.09627	1.1
163.03870	0.7
163.07564	0.8
164.04655	0.8
164.08401	2.1
165.06956	3.9
166.07817	8.9
167.08551	0.9
171.08040	1.8
175.07549	3.9
177.05525	3.2
177.06889	0.8
178.07791	1.7
179.08569	2.7
181.10112	7.3
186.06723	0.8
187.07555	23.8
188.08234	1.2
189.05501	10.2
189.07117	0.8
189.09070	4.8
190.07733	1.3
191.07030	8.1
191.08589	4.4
191.10622	1.0
192.07813	4.4
193.10165	0.8
194.07188	3.5
195.08037	1.2
199.07533	1.2
201.09193	4.2
202.09882	6.2
203.03416	1.7
203.07027	5.1
203.10620	1.7
206.07185	1.5
208.08842	0.8
209.09622	4.2
213.09099	3.4
215.10583	1.3
216.09338	0.9
217.08632	3.1
218.07404	0.9
218.09406	1.9
219.08119	3.5
221.09596	1.2
223.07655	0.7
224.08237	1.2
225.09061	0.8
226.09904	1.2
229.08530	1.3
231.06532	21.5
231.10107	15.4
234.06845	1.3
237.09091	9.8
239.10663	1.6
241.08548	4.3
245.08075	2.4
246.08891	19.0
249.09116	2.9
251.07039	0.8
253.08636	1.4
259.09738	1.2
261.09113	1.3
262.06494	1.0
263.06937	0.8
267.10165	36.1
268.10605	0.9
277.08578	1.1
279.10394	0.8
281.08194	5.1
281.11731	2.4
281.15369	2.8
290.05692	1.1
291.13779	1.6
293.15363	2.0
295.13272	1.2
299.09106	1.7
305.08041	2.7
309.07547	2.2
309.14856	40.9
310.15189	1.0
316.01947	0.7
319.09875	1.1
319.13275	10.0
337.07254	2.3
337.10947	4.0
337.14343	100.0
338.14734	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	337.1437
Annotation	Eryvarin D
Peak:m/z	Relative Intensity
53.03959	0.3
55.05523	0.5
65.03947	0.3
65.26643	0.3
69.80706	1.7
70.32874	0.3
71.00871	0.3
73.92880	0.4
81.07064	0.5
81.53838	0.3
83.08695	0.3
91.05479	2.9
93.07068	0.7
95.04958	0.3
95.08629	0.6
98.21442	0.3
98.97603	0.5
103.05508	0.5
105.03425	0.4
105.07053	1.5
107.08582	0.5
115.80611	0.3
116.98600	0.4
118.04167	9.7
119.08608	0.3
121.06522	3.5
131.05008	0.4
131.08519	0.3
133.06490	0.7
135.04456	0.4
141.07066	0.3
142.37576	0.3
149.02393	0.9
153.07039	0.4
154.07825	0.5
165.07010	1.9
166.07784	0.6
178.07800	0.4
179.08548	0.3
181.06512	1.3
182.07320	1.5
187.07594	2.3
189.05473	0.5
191.07074	0.6
194.07266	0.6
197.09674	1.0
199.07520	0.5
201.09276	0.4
202.10078	0.5
203.07053	0.4
207.08044	0.4
209.05962	1.7
210.06747	2.1
213.09190	0.6
221.06036	1.1
225.09129	1.1
231.06552	1.2
237.05408	1.1
237.09210	0.9
238.06265	3.1
239.06798	0.3
239.34163	0.3
241.08548	0.4
246.08969	0.8
249.05504	1.3
251.06891	0.4
253.08571	2.1
265.04944	2.9
266.05786	3.5
267.10291	1.7
281.08105	100.0
282.08511	2.4
293.08112	0.6
295.06583	0.3
295.09610	0.4
309.14767	0.9
319.13245	0.9
327.02118	0.3
337.14331	58.5
338.14719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1436
Annotation	Hildgardtene
Peak:m/z	Relative Intensity
55.01861	1.3
55.05502	1.8
56.96558	1.0
65.03926	0.9
67.05476	1.1
69.03436	6.0
69.30560	6.0
72.87402	0.6
73.17792	0.7
79.05479	2.4
81.07067	1.4
82.78752	0.6
91.05486	27.2
93.07024	1.0
95.08612	1.2
98.97579	2.0
103.05481	8.0
105.03386	5.0
105.07049	6.0
107.04918	1.0
107.08566	0.7
115.05474	3.3
117.07006	1.3
119.04946	0.7
119.08549	0.9
121.06513	1.4
128.06206	1.8
129.06982	2.7
131.04959	6.5
133.06479	1.6
135.04402	1.8
141.06972	3.0
142.07782	1.6
143.08582	1.2
144.60164	0.7
145.06462	2.3
147.04428	0.9
149.05978	3.9
153.06969	3.4
155.04898	1.1
155.08522	1.0
157.06447	0.8
157.10280	0.8
158.07300	1.0
159.04419	5.2
159.08022	1.1
160.08772	1.3
161.05952	2.7
165.07022	8.6
166.07794	14.8
167.08574	1.9
171.08099	3.3
172.08812	0.8
173.05972	3.2
173.09653	2.3
174.06773	0.9
175.03860	1.2
175.07521	2.1
177.05473	3.6
177.06966	1.2
178.07761	4.5
179.08563	3.6
181.06490	2.2
181.10133	15.0
182.07277	1.1
185.05992	1.6
186.06660	1.0
187.07513	1.4
188.08356	3.8
189.05479	18.0
189.07005	1.2
189.09056	1.5
190.07780	2.4
191.08556	8.0
192.09343	1.1
193.10114	1.1
194.07271	6.7
195.07980	1.9
197.06033	1.2
198.06776	4.0
199.07571	3.0
200.08208	0.9
201.09146	9.3
202.07858	0.8
203.03400	1.6
203.06992	5.8
203.08673	1.3
203.10611	3.0
205.10172	0.8
206.07317	1.1
207.08066	2.4
208.08827	0.8
209.09636	8.8
210.06790	0.9
211.07567	1.1
211.11220	1.3
213.09108	15.8
215.08542	3.0
216.09396	1.2
217.10254	1.0
218.07454	1.0
219.08087	7.5
221.09636	2.6
223.07509	1.2
224.08263	1.9
225.09146	1.4
226.06215	1.5
226.09796	1.0
228.07782	2.3
229.10124	1.2
231.08057	1.0
231.10144	13.4
233.09628	2.4
234.06635	0.8
234.10559	0.8
235.07500	1.0
236.08250	0.8
237.09131	20.2
239.10724	5.9
241.08601	15.4
245.09660	0.8
248.12048	1.3
249.09122	6.7
251.10768	0.7
253.08656	2.3
254.09549	0.9
258.10458	1.1
259.09454	6.4
260.12009	1.3
261.09088	2.7
263.06934	1.2
263.10721	0.8
263.14291	0.9
267.10181	75.5
268.10425	1.6
275.10745	1.3
276.11401	2.5
281.08121	5.5
281.11716	3.3
281.15240	1.9
286.09961	2.3
287.10544	1.2
288.11328	1.3
289.08774	0.9
291.13779	4.8
293.11600	0.8
295.13229	1.7
301.12259	0.8
304.10922	2.3
309.14859	32.8
319.13242	19.2
319.16641	1.5
337.10782	6.9
337.14325	100.0
338.14627	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	337.1434
Annotation	Hildgardtene
Peak:m/z	Relative Intensity
56.06447	0.3
56.96552	0.6
65.03933	0.7
69.98976	0.3
69.99309	1.1
70.04269	0.3
91.05484	31.5
98.20811	0.5
98.97604	1.9
103.05461	0.5
105.07034	3.5
107.08589	0.3
116.98584	0.4
119.08557	0.5
129.07025	0.5
131.08492	0.4
136.05119	0.3
141.07010	0.3
147.08041	0.9
148.05144	0.3
158.07384	0.3
159.08080	1.3
161.09656	0.5
164.04710	1.6
164.08342	3.4
172.05196	0.7
173.02299	0.4
173.06020	0.4
175.07533	2.6
177.05447	1.0
187.07553	35.4
188.07950	0.5
189.09102	4.1
191.07030	13.1
192.07813	6.6
193.04939	0.6
201.09082	2.4
202.09886	8.7
203.03363	1.0
203.07027	2.4
205.04985	1.4
206.09358	0.6
213.05539	0.4
213.09079	1.0
215.10696	0.4
216.04105	0.6
217.05188	0.4
217.08568	2.0
219.06560	0.7
229.08630	1.3
231.06525	32.2
232.06937	0.7
241.08562	1.1
243.07869	0.3
245.08063	3.7
246.08876	27.3
259.09583	0.3
261.09119	0.5
287.10477	0.4
304.10938	0.7
309.07623	0.4
309.11334	0.3
315.31107	0.3
319.13196	3.6
319.16153	0.4
337.14340	100.0
338.14688	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	337.1074
Annotation	Clandestacarpin
Peak:m/z	Relative Intensity
55.05515	0.5
56.96568	1.8
62.06089	0.4
64.68770	0.3
65.03934	0.3
67.05495	0.8
71.35209	0.6
71.35570	0.4
75.05581	0.3
79.05496	1.0
81.07050	0.9
91.05499	1.8
91.43526	0.3
93.07065	0.7
95.04964	0.5
95.08617	0.8
96.18364	0.3
96.82672	0.4
97.10141	0.3
98.97588	8.0
101.52051	0.3
103.05471	0.5
105.03423	0.3
105.07034	2.3
107.04967	0.4
107.08582	0.8
109.10181	0.3
112.32453	0.3
116.98622	4.6
117.06994	0.4
118.44881	0.3
119.08600	0.9
121.10142	0.5
128.06250	1.1
129.07014	0.9
131.08586	0.9
134.99672	2.2
135.04422	0.3
141.06963	0.4
143.08638	0.7
145.06499	0.9
151.07555	0.5
153.07014	0.9
157.06506	0.9
159.04477	0.5
159.08058	0.8
161.05983	0.9
163.03865	0.3
165.07008	0.4
171.08022	1.5
172.05132	0.4
174.06683	0.3
175.07585	0.4
181.04979	0.3
181.06512	1.0
184.05229	1.3
185.05951	2.1
187.03920	14.9
187.07507	1.8
195.08134	0.5
199.07584	1.0
201.05563	1.6
203.07030	6.8
203.08746	0.6
207.60762	0.3
209.05984	0.4
209.09700	0.3
211.07549	3.0
213.05525	1.9
213.08990	0.3
221.06062	0.3
223.07617	0.6
227.07047	0.9
234.12701	0.3
235.07509	0.7
236.08304	0.4
237.05479	1.2
245.09595	0.4
247.11287	0.4
248.08362	0.4
249.09102	0.7
251.06970	0.9
255.06546	10.6
261.09253	0.6
263.06955	0.5
263.10773	0.7
264.07828	0.5
265.08685	0.6
266.09207	0.4
267.10175	1.9
273.07590	21.5
275.13333	0.7
276.07925	1.6
277.08667	0.9
277.14975	0.6
278.09476	0.4
279.06589	2.5
279.10193	1.0
281.07950	1.5
291.10202	1.2
291.13635	0.5
293.08115	0.9
293.14560	0.7
294.08890	4.6
295.09732	1.9
295.15866	0.4
305.08258	0.6
305.12000	0.4
307.06067	1.9
307.09665	0.8
308.06964	0.4
309.07617	1.9
309.11203	1.9
309.14932	3.3
319.09778	6.2
319.13190	1.2
319.16013	1.3
320.09943	0.3
321.07608	1.3
321.11130	0.4
322.08371	2.9
322.11514	0.5
337.07278	3.4
337.10727	100.0
337.14294	9.6
338.11050	1.7
355.17966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustramine I
Peak:m/z	Relative Intensity
50.32827	2.9
56.96574	9.7
58.35177	2.9
59.67183	3.1
60.20465	2.8
69.81210	16.6
90.32887	2.8
91.61234	2.9
97.29741	3.3
98.97595	29.0
110.97581	6.0
112.99134	18.0
116.98652	6.1
121.06524	2.8
124.02097	2.8
128.98625	2.9
131.00186	10.7
132.36961	3.1
149.01274	4.1
158.99759	4.6
173.01234	5.3
174.11203	3.8
193.03865	6.9
211.04718	4.0
219.01797	17.9
237.02924	8.8
277.06097	5.4
281.02509	2.8
295.06760	6.2
313.06580	2.8
328.99902	3.2
337.08734	100.0
337.20474	5.9
338.08881	2.9
341.68292	3.3
346.96463	3.2
355.09262	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	337.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60976	0.8
56.96566	37.7
61.37231	0.6
66.61500	0.7
70.46096	2.3
70.98123	9.0
71.04987	0.7
71.95260	2.3
74.97594	0.9
84.08163	0.8
84.96039	8.5
85.02905	1.2
86.97647	0.7
88.99154	3.7
97.02906	0.7
97.94989	0.7
98.97589	100.0
100.99137	4.3
102.09196	1.1
110.97578	34.3
112.99139	41.8
115.00684	3.3
116.98627	22.0
119.00193	1.5
124.05120	0.7
124.95487	3.2
124.99162	3.9
126.97054	2.1
127.00638	1.1
128.10725	1.2
128.98615	24.0
131.00174	27.6
133.01717	6.2
134.99655	2.8
140.98572	5.3
142.96539	2.5
143.00159	6.2
144.10278	0.9
144.98079	3.2
145.01724	2.7
146.99666	10.6
149.01227	5.9
151.02847	1.5
152.94962	1.3
152.98622	6.5
155.00261	0.9
156.98062	1.6
157.01770	2.0
158.99663	22.1
161.01254	4.0
162.99182	1.6
165.00723	2.1
170.96010	5.9
170.99680	8.9
173.01230	6.7
174.11261	1.9
174.99074	2.2
175.02769	9.1
175.11642	2.1
177.00708	8.3
178.04933	0.9
179.02315	1.0
184.03333	0.9
184.97604	2.7
187.02731	1.6
188.97055	5.9
189.00719	7.5
191.02303	2.9
193.00189	1.2
193.03853	8.8
199.02667	0.8
201.00708	9.2
202.98697	3.6
203.02333	1.0
205.00246	2.6
206.98100	2.2
207.01801	2.9
209.01294	1.1
211.02875	1.8
211.04890	2.9
212.97087	2.3
217.00214	1.7
217.03798	4.2
219.01775	55.2
220.02103	0.9
220.99634	2.4
221.03342	0.7
223.01273	1.3
229.03899	2.0
230.98111	7.2
232.99750	0.9
233.03352	1.1
235.04849	3.0
237.02831	41.7
244.99667	7.3
248.99199	2.1
256.05475	1.0
261.02832	0.9
263.00797	10.7
263.03790	1.0
275.04468	4.4
277.02377	6.5
277.05933	30.4
281.01810	1.3
293.05582	3.4
295.07016	71.2
318.08530	1.0
327.74921	0.7
337.08267	47.9
337.16785	3.4
337.20392	1.5
338.08508	1.4
338.18109	0.9
346.09122	0.8
355.09140	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	337.0806
Annotation	[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol acetate
Peak:m/z	Relative Intensity
51.17827	0.6
56.96289	1.5
56.96569	25.9
57.42548	0.6
58.48562	0.6
63.08298	0.7
68.44626	0.7
70.11188	1.9
70.11582	1.5
70.98119	2.5
71.95265	1.2
84.96036	8.2
88.99135	1.1
97.96826	1.3
98.97588	90.6
100.99173	1.1
110.97575	33.6
112.99142	22.5
115.00705	2.9
116.98625	18.4
124.99136	3.1
126.97054	2.0
127.00680	1.3
128.98613	19.4
131.00174	13.3
132.72012	0.7
133.01746	6.2
134.99677	1.9
140.98596	5.7
143.00185	6.7
144.98076	3.4
146.99673	5.4
149.01234	2.2
151.02769	1.9
152.98607	7.9
155.00165	0.7
156.98131	0.8
157.01762	1.8
158.99660	22.5
161.01230	5.3
162.99165	1.4
165.00774	0.9
170.96068	1.9
170.99666	9.2
173.01247	2.7
174.99207	1.0
175.02802	8.9
177.00719	10.1
179.02281	1.6
182.99677	1.1
184.97603	1.1
187.02759	1.7
188.97073	2.9
189.00739	5.4
189.04398	1.0
193.03850	3.6
201.00665	8.7
201.04422	1.0
202.98669	2.1
203.02296	1.4
207.01830	1.1
211.02904	1.7
212.97211	0.8
217.00235	1.0
217.03841	5.6
219.01767	54.9
223.01413	0.9
229.03839	1.6
230.98158	2.4
235.04845	1.4
237.02841	39.8
244.99704	2.7
248.99089	0.8
255.03923	1.7
263.00677	3.8
275.04416	1.6
277.02667	2.0
277.05951	45.2
295.07013	100.0
296.07321	0.8
309.08548	0.9
337.08069	38.3
337.20145	0.8
355.09055	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	337.0704
Annotation	Garhwalin
Peak:m/z	Relative Intensity
51.02377	0.1
53.00304	0.1
53.03931	0.2
55.01865	0.4
55.05502	0.1
65.03940	0.7
67.05502	1.8
68.99426	0.1
68.99790	1.4
69.00157	0.1
69.03428	0.1
69.25151	0.1
69.83715	0.1
69.84144	0.2
77.03948	0.2
79.05489	1.6
81.03410	0.4
81.07057	0.1
87.10068	0.1
89.03917	0.4
91.05476	2.2
93.03400	0.5
93.07041	0.2
95.04968	4.0
95.08620	0.3
99.06232	0.1
103.05470	0.1
105.03390	0.3
105.07002	0.1
107.01305	0.2
107.04950	3.5
107.08591	0.2
109.02876	0.1
109.06554	0.1
109.56917	0.1
111.04401	0.1
117.03384	0.3
118.04157	0.2
119.04939	4.6
119.08528	0.1
120.02031	0.1
121.02863	7.1
121.10121	0.1
123.04432	0.6
123.08055	0.1
129.03333	0.2
129.45389	0.1
131.01274	0.1
131.04912	0.3
133.02803	0.1
135.04411	4.7
137.02438	0.1
145.02838	7.6
147.04381	0.3
148.01494	0.1
149.02325	1.1
153.05486	0.1
153.06880	0.1
155.08453	0.1
158.20003	0.1
159.11578	0.1
161.02330	0.1
161.05983	0.1
163.03896	22.5
164.04263	0.3
165.01826	0.2
165.05602	0.1
165.06990	0.3
167.03459	0.5
167.08536	0.2
167.10640	0.1
171.08069	0.1
173.02330	0.7
175.03871	0.1
176.01031	0.9
177.01834	0.2
177.06981	0.1
178.07774	0.3
179.08553	0.3
181.04953	6.2
182.05266	0.1
182.07343	0.1
183.08055	0.2
185.09634	0.1
187.03894	0.2
189.01868	0.2
189.05554	0.1
189.06992	0.1
190.02556	0.4
191.03384	10.6
192.03738	0.2
194.02080	0.2
194.07306	0.1
195.08040	0.2
197.06017	0.1
197.09564	0.1
201.01717	0.1
207.08078	0.5
208.03654	0.1
209.04424	1.6
210.06662	0.4
211.07533	0.3
213.09073	0.2
219.02826	0.3
221.05966	0.2
225.09096	0.2
229.04901	0.4
234.06714	0.1
235.07494	0.5
237.05370	0.4
238.06297	0.4
239.07019	1.3
241.08679	0.1
249.05399	0.1
252.07542	0.3
253.04843	0.1
253.08578	1.7
255.06439	0.2
262.06366	0.1
263.06967	1.1
265.04922	0.2
266.05658	0.7
267.06497	1.8
270.05209	0.3
274.06314	0.1
279.06516	4.4
280.07175	0.5
281.08069	37.9
282.08432	0.9
283.05997	0.4
290.05872	0.1
291.06528	1.2
292.07123	0.2
293.04660	0.1
293.07913	0.1
294.05222	2.4
295.05972	1.0
307.06021	1.0
308.06787	2.2
309.07550	94.6
310.07892	2.1
310.10739	0.0
319.06082	0.2
337.07025	100.0
338.07394	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	337.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	54.3
66.76875	1.3
69.03419	1.8
70.53218	5.0
70.98125	33.0
71.95264	2.7
72.08179	1.6
74.00084	1.6
74.97615	1.7
84.96027	9.9
85.02884	3.4
88.99162	9.4
96.08118	2.0
97.02905	2.1
98.97587	100.0
110.46359	1.4
110.97579	36.8
112.99122	11.5
115.00669	4.4
116.98624	27.4
124.95506	10.6
124.99101	3.4
128.98605	34.0
131.00116	7.2
133.01704	4.9
134.99617	3.9
140.98578	8.1
142.96519	6.8
143.00175	4.9
144.98088	2.2
146.99667	24.9
152.94965	5.4
152.98593	6.0
156.98114	2.1
158.99670	12.9
160.97653	2.3
161.01241	3.1
165.00752	10.3
170.96034	18.9
170.99643	7.4
173.01076	1.8
174.99184	6.8
175.02756	6.6
177.00699	8.3
184.97617	8.0
186.99156	3.3
188.97087	18.4
189.00746	19.8
189.04395	1.9
190.98589	1.9
191.02197	2.1
193.00218	4.4
193.03583	1.9
201.00786	2.6
202.98616	10.2
205.00191	9.0
206.98138	5.8
207.01814	9.5
212.97079	7.7
217.00226	6.1
219.01773	28.0
220.99655	6.6
223.01224	3.3
229.03995	1.9
230.98129	28.0
235.01244	5.2
237.02837	19.3
244.99699	25.1
247.01190	2.0
248.99179	7.0
249.02901	2.6
262.98035	2.3
263.00778	42.3
277.02271	21.5
277.05933	21.3
281.01804	5.1
295.03448	4.7
295.06976	51.7
305.01804	2.7
333.80289	1.5
337.07996	15.7
337.16940	3.1
337.20642	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	336.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20838	0.5
53.03959	0.9
55.01872	1.0
55.05515	1.0
57.03436	1.3
61.02925	1.0
64.48692	0.4
68.99779	0.9
69.03433	5.8
70.06598	6.7
70.45341	1.4
71.04996	0.5
72.08152	1.4
73.02919	1.1
81.03440	3.2
84.08121	0.5
85.02913	16.9
87.00835	5.2
88.07638	100.0
90.53845	0.4
95.04958	0.5
95.24303	0.4
96.04474	0.6
97.02899	3.6
98.97578	0.5
99.04457	1.7
105.01881	4.3
109.02888	3.5
118.99001	0.4
124.07550	0.5
127.03932	9.9
129.01845	0.5
145.04962	2.8
146.06085	0.5
147.06317	0.5
159.02934	1.9
188.07167	0.7
189.03891	0.5
189.07246	0.6
231.05046	1.7
231.77974	0.4
272.11374	0.8
288.10730	0.8
300.72101	0.5
306.09634	1.1
318.11780	0.9
336.13089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01865	1.0
55.05503	1.2
56.05030	2.2
56.96557	1.3
57.03429	0.8
57.42831	0.3
58.02945	1.1
61.02922	0.9
67.05508	1.3
68.64702	0.4
68.99828	0.4
69.03429	3.7
69.07063	0.8
70.06596	3.4
71.04973	0.5
71.57054	0.5
72.08156	1.0
79.05485	1.0
81.03432	1.7
81.05782	1.1
81.07039	0.5
82.06578	0.5
83.04984	5.7
84.08114	0.5
84.96023	0.3
85.02425	0.5
85.02908	7.2
85.06551	0.6
86.09689	0.4
87.00833	0.9
88.04019	0.4
88.07635	16.7
91.05482	0.6
93.07049	0.4
94.06573	0.5
96.08135	13.3
97.02917	2.6
98.97573	1.8
99.04463	0.7
99.08110	2.1
102.05491	0.5
102.09188	4.6
105.01865	0.8
107.35320	0.3
109.02885	1.2
110.97625	0.7
114.08395	0.7
114.09173	13.0
115.07543	0.4
121.02930	0.4
124.07600	20.2
126.03745	1.3
127.03922	3.0
128.10730	4.9
128.98586	0.7
132.08064	0.4
133.02893	0.5
136.07568	0.4
138.05515	0.4
139.07541	0.8
142.08635	3.3
145.04948	1.2
146.11789	0.7
147.04506	0.5
149.06065	0.4
149.10754	3.2
151.78690	0.5
156.04831	0.9
156.08101	0.8
156.10188	2.4
157.08719	0.4
161.06009	0.5
163.03851	0.6
165.05478	0.4
167.07045	1.3
170.99579	0.4
174.05962	2.5
174.11267	100.0
175.11673	0.7
177.05600	0.4
179.07126	0.5
188.03760	0.5
191.11836	3.3
219.01894	0.6
227.02124	0.5
237.02841	0.6
244.11693	0.5
258.09888	0.4
272.11209	0.9
272.57532	0.3
288.10715	0.7
290.09991	0.7
318.11841	1.8
336.12909	0.5
336.16010	0.8
336.16833	0.5
336.19662	2.3
350.49863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2583
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05495	11.6
57.03443	17.0
65.03929	3.2
67.05181	5.1
67.05508	67.1
69.03445	2.7
69.07056	10.9
70.16368	2.5
70.66770	4.1
70.67099	5.6
79.05486	29.1
81.07059	75.2
83.08598	11.2
83.85516	2.9
91.05500	18.2
93.06535	4.0
93.07048	41.5
95.08056	3.9
95.08611	55.4
95.09208	1.9
95.84097	2.5
97.06492	4.0
97.10215	2.8
105.07033	10.6
107.08593	25.4
109.10174	22.8
111.08020	3.1
117.06990	3.4
119.08591	11.5
121.10152	21.0
123.11710	8.3
131.08557	8.0
133.10109	10.4
135.11691	16.2
137.13278	4.2
145.10121	7.5
147.11694	6.7
149.13260	10.6
159.11728	3.7
161.13194	7.1
163.14859	4.1
165.98885	2.9
173.13220	8.1
187.14825	4.1
201.16466	3.1
243.21082	5.8
261.22137	9.2
275.38913	3.0
335.25787	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	335.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96461	1.4
53.03933	4.8
55.05520	24.4
56.96571	17.4
57.03441	22.8
57.07066	3.2
65.03925	3.7
67.05512	100.0
69.03434	1.9
69.06716	1.8
69.07074	20.4
69.90779	2.4
69.91174	5.4
71.04982	1.9
79.05057	2.7
79.05498	46.3
81.03428	2.0
81.07065	79.1
83.04983	3.7
83.08611	6.4
84.96062	1.7
85.06525	3.5
91.04963	2.1
91.05494	28.2
93.06468	2.6
93.07051	51.7
95.04980	4.0
95.08617	61.7
97.06531	3.0
97.10171	3.1
98.20784	1.9
98.97589	19.5
105.04497	2.0
105.07041	18.3
107.08597	23.8
109.06524	2.6
109.10167	26.4
111.08060	3.5
116.98640	10.8
117.07004	4.4
119.08598	12.3
121.10162	20.0
123.08067	1.5
123.11739	7.0
124.36205	1.5
125.70784	1.3
131.08589	9.4
133.10159	7.6
134.99635	2.5
135.11678	12.2
137.13239	2.9
143.00201	1.9
143.08563	1.9
145.10124	6.8
147.11661	3.5
149.13222	4.0
151.07571	1.9
155.06987	1.7
157.10071	1.6
159.11723	5.3
161.13287	3.8
163.11240	1.5
163.33565	1.5
173.13237	3.6
187.03975	1.9
187.14861	2.4
191.07048	3.0
192.07820	2.0
203.07043	3.7
206.21336	1.5
213.09190	1.7
213.37981	1.7
235.06232	3.4
241.11069	2.1
243.21115	1.9
244.06723	8.6
253.11078	1.7
261.07706	1.5
261.22144	3.8
275.13190	1.6
293.14246	6.1
305.08112	4.0
309.12766	2.3
311.15372	2.2
323.09683	4.9
323.59674	2.4
335.08618	2.9
335.12711	12.0
335.15436	10.0
335.21906	23.8
335.25800	95.1
335.64142	4.0
344.14584	2.9
353.16241	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	5.0
55.05261	2.1
55.05513	22.7
57.03443	27.7
65.75620	2.1
67.05511	87.3
69.07082	20.9
70.69151	4.6
71.04948	3.0
76.80862	2.2
79.05061	2.9
79.05499	49.7
81.07064	86.5
83.04970	2.0
83.08630	12.3
91.05485	26.5
93.07051	48.6
95.04968	4.6
95.08615	71.7
97.06544	2.9
97.10165	4.0
105.04522	2.1
105.07040	19.7
107.08597	27.4
109.06502	2.7
109.10161	28.5
111.08048	2.8
117.07027	4.8
119.08604	14.0
121.10158	21.4
123.08047	2.1
123.11711	9.2
128.19954	2.0
131.08562	9.1
133.10152	10.4
135.11708	14.8
137.09569	2.2
137.13214	3.0
143.49266	1.9
145.10117	5.3
147.11653	7.1
149.09618	2.1
149.13242	9.1
159.11642	5.5
161.13252	5.7
163.14783	2.2
173.13258	7.6
175.14857	2.2
184.16202	2.4
187.14806	2.9
261.22134	7.1
335.25815	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	336.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01860	1.8
55.05507	1.2
56.05030	1.7
56.92824	0.7
56.96562	2.5
57.03426	2.7
58.06567	0.7
59.89700	0.7
61.02925	4.9
67.05482	1.3
69.03434	9.8
69.07075	1.8
69.79000	4.3
70.06580	2.4
71.04992	1.7
72.08159	2.4
73.02905	2.2
74.06002	0.7
79.05472	0.9
81.03417	5.7
81.07060	0.9
82.06566	1.3
83.05000	3.6
85.00632	1.3
85.01132	19.0
85.02911	21.0
85.06538	1.3
86.09692	1.0
87.04458	2.5
88.07634	9.4
91.03959	0.8
93.07076	0.8
96.08139	5.2
97.02900	9.7
97.06556	0.9
98.03266	0.7
98.97604	3.8
98.98154	0.8
99.04456	2.1
102.05557	1.1
102.09190	2.3
109.02872	3.3
112.02191	3.7
114.09181	7.0
116.98610	1.2
119.04916	0.8
124.07606	9.8
126.03748	38.9
127.03931	4.6
128.10716	3.9
130.06546	1.0
136.07613	0.9
138.03702	4.6
142.08693	1.3
144.08093	1.2
145.04973	2.9
146.05991	1.3
147.04416	1.1
154.06424	0.8
156.04785	56.7
156.08118	2.1
156.10193	2.1
159.09222	1.0
164.07083	0.9
170.05995	1.8
172.07607	1.1
174.05858	100.0
174.11273	48.8
184.07677	0.9
188.03795	2.4
206.13815	1.1
214.08723	1.0
219.01784	0.8
230.08177	1.1
232.09718	1.2
241.03951	1.1
246.07558	2.5
247.14299	0.9
258.09793	1.2
273.09381	0.8
275.13980	1.5
290.10104	2.3
300.08502	1.3
304.65042	0.8
318.09027	0.8
318.11652	2.8
336.11169	12.5
336.16425	2.7
336.19955	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03954	4.9
55.01866	1.3
55.05264	1.2
55.05517	21.7
56.96564	0.9
57.03441	23.9
57.07067	3.8
61.95390	1.0
65.03948	4.7
67.05509	83.1
69.07072	24.1
69.53429	6.5
71.04986	3.7
71.08600	1.6
77.03939	1.1
79.05502	48.4
81.07063	90.4
83.08619	8.5
85.06557	1.5
91.05489	39.2
93.07051	51.8
95.04984	5.3
95.08614	71.7
97.06532	3.3
97.10163	3.7
99.08096	2.8
104.30167	1.0
105.04493	1.6
105.07038	17.0
107.08606	26.6
109.06510	5.9
109.10168	27.5
111.08059	2.0
117.06985	5.1
119.08591	13.6
121.06457	1.5
121.10143	20.8
123.11705	9.6
125.09631	1.1
129.06976	1.1
131.08565	12.3
133.10144	11.4
135.11694	15.5
137.09636	1.4
137.13266	2.6
143.08496	1.4
145.10106	8.6
147.11714	7.8
149.13281	7.9
151.14809	1.3
157.10143	1.8
157.15916	1.0
159.11703	6.4
160.67586	0.8
161.13272	5.1
163.14838	3.9
164.11830	0.9
165.12772	6.1
173.13269	5.5
175.14806	3.1
177.12743	1.6
177.36098	1.0
178.07748	1.5
179.14287	1.8
187.14857	2.6
191.14374	2.1
201.16460	1.8
204.89795	1.1
208.94492	0.9
212.71275	1.0
241.22794	0.9
243.21117	4.4
249.09003	1.2
261.22156	10.1
279.10217	3.1
279.19443	1.0
317.24884	7.4
335.09189	1.4
335.12869	1.7
335.16568	3.2
335.25815	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	335.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.2
55.05519	33.7
56.96564	5.1
57.03448	20.0
65.03940	7.2
67.05177	5.8
67.05511	94.9
69.03421	5.5
69.07072	33.2
69.55888	20.3
70.71090	3.6
71.05004	21.2
79.05058	5.5
79.05499	76.0
80.36674	3.7
81.07062	100.0
83.08616	13.4
85.06549	4.5
91.05484	89.2
93.07048	83.7
95.04987	19.6
95.08611	74.4
97.06512	10.7
98.97585	4.5
105.07035	97.0
107.08601	62.8
109.06519	8.4
109.10168	35.1
115.05492	6.4
116.06260	6.1
116.98507	3.9
117.07036	20.8
119.07793	6.1
119.08591	95.6
121.10149	43.1
123.08070	10.0
123.11699	8.7
128.06224	6.5
129.07021	23.7
130.07745	7.6
131.08568	79.8
133.10133	96.6
135.08029	16.7
135.11700	25.0
137.09517	6.5
141.07025	5.3
142.07799	21.6
143.08574	30.9
144.09399	7.0
145.09042	5.4
145.10143	63.5
147.08099	5.4
147.11678	18.7
149.09625	6.7
149.13269	11.0
155.08543	19.4
156.09433	19.5
157.10132	40.8
158.10921	14.1
159.11700	26.8
161.09627	8.8
161.13219	8.8
163.14804	9.0
165.06978	10.7
167.08560	9.6
169.10135	21.0
170.10930	8.0
171.11684	38.0
173.13268	60.3
175.14835	17.6
178.07907	5.6
179.08557	12.9
180.09396	5.8
181.10104	14.0
182.10951	5.8
183.11671	13.6
185.13274	18.3
187.14842	19.1
189.12767	3.9
191.08553	4.9
192.09431	6.0
193.10144	11.7
194.10889	7.3
195.11693	19.4
196.12444	8.5
197.13287	23.2
199.14825	29.0
201.16470	4.9
206.10870	4.4
207.11681	11.1
208.12578	6.5
209.13322	18.8
211.14809	16.2
212.15565	8.6
213.12892	3.8
220.12439	5.3
221.13319	18.4
222.14035	3.9
223.14815	14.2
235.14815	12.8
237.16362	8.8
243.20982	4.7
247.14740	6.6
249.09093	5.3
249.16481	6.0
251.17987	7.4
252.18881	4.6
253.89214	3.6
261.16446	3.6
261.22235	9.9
265.19565	7.0
275.17950	5.0
277.19583	18.7
279.10156	64.0
279.17349	5.9
288.92093	4.2
292.22162	5.8
317.17590	8.6
317.22220	4.4
335.09521	17.6
335.12689	8.0
335.15775	31.2
335.19348	5.4
335.26434	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.6
55.05511	9.4
56.05032	1.8
56.96536	0.9
57.03434	1.3
58.06599	1.7
58.80459	0.9
63.03315	0.8
67.05500	2.7
67.32320	0.8
69.07076	7.0
69.44330	5.9
70.06599	5.1
71.04980	3.6
72.08147	3.7
83.04981	23.7
84.08147	13.2
85.02876	1.1
85.06546	4.3
85.08932	15.0
87.08094	3.8
93.03400	2.4
95.04969	3.1
96.08125	1.1
97.06548	2.3
98.09695	3.3
98.21455	1.5
98.97578	2.0
99.08080	2.7
100.07600	6.2
100.11267	1.7
101.06040	1.4
102.09182	19.9
110.06044	2.4
110.09669	1.4
111.04456	3.6
112.07610	58.6
113.05984	4.4
115.07568	4.0
124.07613	1.0
125.06003	11.2
128.07043	1.9
128.10725	25.3
130.08646	24.8
136.07635	1.1
140.07088	4.8
146.11761	12.9
148.09686	2.1
158.08116	4.7
160.13336	3.9
162.09119	1.1
164.07103	1.3
174.11249	7.3
176.10724	1.1
182.08192	1.6
188.12883	2.0
194.11786	1.6
204.56735	0.9
206.13794	1.5
212.12837	3.5
222.11250	3.3
222.48718	1.0
240.12296	13.2
258.13275	4.5
272.14951	2.8
285.18097	26.2
290.15964	6.9
303.19125	17.3
304.19284	1.0
312.68283	0.9
335.21768	100.0
336.21945	1.9
355.62079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59269	0.7
50.71245	0.7
51.45155	0.8
54.35649	0.7
54.99397	0.8
55.05503	0.9
56.96567	39.1
63.47750	0.8
67.05515	1.4
67.82707	0.8
69.07063	1.2
69.89378	0.9
71.58115	1.2
71.95259	3.5
72.96052	6.8
79.05492	1.3
80.37597	0.7
80.73165	0.8
81.07040	1.3
84.96044	1.1
88.07635	4.6
91.05489	2.3
93.07036	1.6
98.97588	79.6
104.07079	0.8
105.07022	1.9
115.00716	7.0
116.98629	44.4
119.08582	1.9
129.02263	3.7
131.03282	0.7
131.08563	0.8
133.01755	3.2
134.99680	11.8
140.00200	4.1
145.10143	1.1
147.03294	3.1
148.17432	0.8
155.03813	3.3
157.05363	13.6
158.01227	1.1
173.04863	4.7
175.06438	27.9
191.03995	1.2
193.07492	5.0
198.08066	1.3
228.90364	0.8
243.25175	3.7
257.12396	2.3
273.11612	1.2
275.13190	74.9
287.27707	1.2
293.14249	48.5
294.14685	1.2
316.15839	4.6
317.14261	34.3
335.15314	100.0
335.29919	14.4
336.15625	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	335.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98368	1.0
55.05511	2.9
56.96571	69.4
57.03432	1.4
57.07050	1.3
65.03957	2.1
65.49635	1.2
67.05510	6.7
68.77036	1.0
69.07062	5.4
71.55783	1.6
71.95268	2.2
74.97592	1.7
79.05505	7.4
81.07062	11.9
83.08630	1.3
85.86195	1.0
91.05484	44.6
92.05808	4.1
93.07067	6.3
95.05006	1.5
95.08596	5.9
98.97592	57.8
103.05427	2.2
105.07037	15.2
107.08582	5.5
109.06541	2.0
109.10133	3.7
114.41628	0.9
115.00711	2.7
115.05461	1.1
116.31243	0.9
116.98634	35.2
119.08590	2.8
121.06538	1.7
121.10166	3.0
122.10516	1.3
123.11713	3.6
127.00658	2.7
128.06253	2.2
129.02304	1.2
129.06989	3.0
131.08565	1.8
133.10146	2.6
134.99663	14.0
135.08076	1.2
135.11694	2.1
137.06030	1.0
139.00641	1.8
140.00180	2.8
141.07004	2.4
142.07774	1.3
143.00140	1.1
145.01715	4.2
145.10121	2.1
147.11682	1.8
155.03787	2.0
155.08591	1.2
157.01715	2.1
158.01228	1.8
159.03319	1.7
159.11687	1.8
165.02225	2.2
165.06987	1.4
165.12767	1.4
169.06512	2.1
171.03358	1.9
171.08041	2.2
173.04749	2.5
173.06032	4.4
177.05815	3.2
179.03778	2.5
180.56665	1.2
181.06612	1.4
183.03310	3.3
185.04869	4.2
189.05505	1.3
195.03323	1.5
195.05168	1.0
195.06931	3.3
197.04642	1.8
198.06818	3.0
199.07626	2.9
201.04266	2.3
205.05310	2.0
211.07533	2.9
213.07994	1.6
215.07037	2.0
223.04173	1.0
223.06410	3.1
223.09891	2.4
225.07942	5.9
226.06230	1.8
227.05835	1.6
229.05092	2.5
231.06395	1.5
232.08672	1.5
235.09973	2.6
239.07065	3.3
241.07460	2.9
242.38651	1.2
243.06534	2.0
243.09138	1.8
243.11874	1.1
244.07329	2.8
251.06894	1.2
253.08530	4.3
253.11218	3.1
262.16080	1.2
265.07330	1.3
265.11676	2.3
273.11447	3.0
273.61646	11.1
274.11880	2.6
275.06348	1.2
275.13144	13.2
277.11157	2.1
283.12405	1.3
289.12036	1.7
291.12708	2.1
293.14233	50.7
299.10556	2.1
301.07495	1.6
306.63800	1.2
307.12149	3.5
311.15320	53.5
312.15591	2.3
316.15866	3.9
317.11298	9.4
317.14841	2.4
325.13385	7.3
329.16275	2.7
334.16852	5.4
335.15646	100.0
335.21863	3.3
336.15872	1.7
353.16385	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	335.1489
Annotation	3',7'-Dihydroxy-3,4,4'5-tetramethoxybibenzyl
Peak:m/z	Relative Intensity
53.03957	1.0
54.14648	0.7
55.01870	2.3
55.05510	1.3
57.03442	1.0
60.43336	0.5
67.05495	1.6
69.07071	1.1
71.04981	1.2
73.02942	0.5
76.98048	0.6
79.05480	2.9
81.03427	1.5
81.07063	2.4
83.04988	1.0
85.06556	0.9
87.78376	0.5
91.04954	1.0
91.05484	9.8
93.07051	1.6
95.04951	1.5
95.08606	1.0
97.06545	0.7
98.20722	1.4
99.04497	0.7
102.63997	0.5
103.05469	0.6
104.59832	0.5
105.07029	1.9
107.04957	2.2
107.08564	0.5
109.02895	1.7
109.06544	2.9
109.10176	0.8
113.06054	1.0
115.05444	3.1
117.07039	3.8
119.04958	3.3
119.08585	1.8
120.04345	0.5
121.06507	33.1
121.10191	0.6
123.04418	1.2
123.08099	0.6
125.06019	3.1
125.09661	0.6
126.03151	2.1
127.03919	2.0
127.07554	1.8
129.05479	5.7
130.04117	0.7
131.04970	0.8
131.08553	0.8
133.06480	0.6
134.07228	1.4
136.05217	0.7
137.05991	5.0
138.03123	9.1
139.07556	3.6
141.04379	0.8
141.05475	12.1
141.09070	0.6
145.06464	2.7
146.07292	6.7
147.04405	3.5
147.08051	5.5
148.05202	1.1
149.05998	1.2
149.09618	2.8
151.07549	60.5
153.05472	100.0
154.60135	0.7
155.07033	3.1
157.04971	7.8
161.05891	1.5
162.06787	5.7
163.07558	1.5
165.05470	1.2
165.09070	0.6
167.07043	0.6
169.08612	2.1
169.09964	0.6
175.07553	6.1
176.04741	1.0
177.09117	78.9
178.09435	0.8
179.07001	4.5
179.10693	0.7
181.08644	5.8
188.08348	0.7
189.09105	0.7
191.07059	1.7
197.08099	47.2
203.10599	1.0
203.14081	0.6
215.10741	0.9
217.36433	0.6
243.10141	1.2
257.11716	1.6
285.11194	1.5
299.12790	1.0
317.13696	2.3
335.09125	0.9
335.15015	5.7
335.21796	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	335.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61465	0.3
53.06871	0.4
53.86846	0.3
55.01831	8.5
55.02118	0.4
57.03362	0.4
67.05458	0.6
69.03394	0.9
69.07037	0.8
70.06562	0.6
70.10783	1.7
71.04951	1.0
73.02876	0.7
79.05468	0.7
81.03385	0.5
85.02892	0.9
91.05452	1.0
93.07006	0.5
93.14709	0.4
94.06530	0.4
94.46957	0.4
95.04969	0.6
95.08572	0.5
96.04440	0.9
97.02834	0.9
98.05972	0.5
98.21423	0.6
98.97531	1.7
104.43157	0.4
105.06979	0.5
106.06550	0.5
107.04924	0.7
108.04431	1.3
109.02826	0.7
121.10090	0.6
122.05977	1.6
124.07540	1.3
126.09090	0.4
133.10095	0.4
136.06152	0.8
136.07512	0.6
137.51918	0.4
138.05418	0.8
140.06979	0.7
144.08023	0.6
144.24968	0.4
146.05972	0.5
146.09666	0.4
147.06741	0.4
148.03883	0.6
148.07553	0.6
150.05489	0.9
156.08038	0.8
158.09666	0.5
160.07509	0.6
162.05611	0.6
166.05013	2.2
168.06644	0.9
170.09618	0.5
172.07578	0.9
172.11229	0.7
173.10756	0.9
174.09120	0.6
176.03427	0.6
176.07164	0.5
178.08626	2.3
182.08281	0.8
183.09270	0.6
184.07495	1.7
185.10919	0.5
186.07837	1.0
186.09253	1.0
187.08676	0.8
188.07042	0.7
189.10219	0.6
194.08170	0.6
197.10823	0.6
198.09149	1.4
199.08614	1.8
200.07018	1.3
200.09041	0.7
200.10684	1.8
201.06627	1.2
201.10229	5.1
202.08759	0.5
203.11855	0.5
205.09668	0.8
210.07800	0.9
211.08640	0.5
212.07193	0.8
212.09303	0.5
213.10188	1.2
214.07349	1.3
215.08130	2.6
215.11745	1.3
216.08891	1.4
217.09750	3.1
219.11162	0.5
225.10243	1.6
226.08762	2.4
227.08211	3.1
228.06642	0.9
228.10529	3.0
229.09727	7.5
230.10359	0.8
231.11401	0.6
236.06995	0.5
243.07605	1.7
243.11304	7.0
244.08467	1.8
245.09206	4.4
247.10791	1.4
253.09787	1.9
254.08060	2.3
255.11269	0.7
256.08578	0.6
257.09235	15.8
258.10031	2.3
259.07248	0.4
261.12283	1.1
265.11829	1.1
269.09293	0.5
270.09973	1.0
271.10785	15.8
271.13821	0.8
272.09222	1.2
273.12369	0.7
281.09204	1.2
282.07535	0.5
287.10269	3.1
289.11850	7.9
299.10291	12.8
302.08856	0.8
307.12881	2.3
317.11337	100.0
318.11688	1.4
335.12387	15.4
335.15973	0.7
358.08170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.3
55.01870	2.2
67.05492	0.9
69.07063	1.2
69.55263	4.7
70.06606	0.7
72.08143	0.9
74.70497	0.7
75.27076	0.7
79.05531	0.9
80.05013	0.8
81.03426	0.8
83.04971	0.6
84.08152	1.3
86.09686	0.8
91.05489	1.0
92.05000	1.1
94.06587	1.2
96.04506	0.7
108.04479	1.3
109.06509	0.7
109.10172	0.7
110.06062	1.8
117.07046	0.8
120.78259	0.7
122.06027	2.6
124.03941	0.9
124.07579	1.8
129.07002	2.0
132.08072	1.5
136.03870	1.1
136.06320	1.3
136.07578	5.0
138.05519	1.3
143.07426	0.9
143.08554	1.1
144.08096	3.1
146.05994	1.2
148.03851	1.1
150.05550	1.5
152.07097	0.7
154.06573	0.9
155.07304	1.2
156.08099	3.2
157.08820	0.8
158.06104	0.9
158.09647	2.0
160.07571	2.9
162.05469	1.3
164.07104	2.6
166.05061	1.5
166.06477	0.9
167.07146	1.2
168.07985	0.9
170.09633	3.3
172.07599	6.8
172.09962	2.0
172.11273	1.2
173.07167	0.7
173.10751	3.1
174.07851	1.2
174.09186	2.9
174.11647	0.9
175.08682	4.4
182.08287	1.2
183.06816	1.3
183.09290	0.8
184.07558	7.8
185.08469	1.0
186.05522	1.0
186.07800	1.3
186.09161	6.0
187.08731	1.7
187.12334	7.2
188.07112	2.0
188.10831	1.0
189.10272	3.0
196.09698	0.7
197.10730	1.2
198.09212	13.1
199.08626	4.3
200.07100	9.8
200.09425	5.2
200.10846	2.0
201.06454	1.0
201.10248	10.4
202.08746	0.9
211.08754	3.6
212.07048	2.6
213.06627	2.7
213.10237	2.3
214.07016	4.0
214.08978	1.4
214.10892	1.2
215.08203	2.4
215.11790	17.3
216.08784	1.0
217.09702	5.3
222.03714	0.8
225.08218	0.7
225.10136	3.8
226.08713	5.3
227.08167	10.3
228.06520	2.5
228.08881	2.9
229.09724	25.6
230.10336	0.9
239.08168	3.4
241.09769	3.1
242.08244	1.5
242.10590	2.8
243.11310	33.3
244.08235	0.8
245.09229	22.3
253.09686	8.2
254.08113	2.5
256.08392	1.1
257.09225	15.7
258.09979	2.1
259.10895	5.2
261.12256	1.2
265.11533	0.7
271.10791	100.0
272.11270	0.9
273.12292	3.3
281.09290	9.6
282.13153	0.7
286.09253	0.8
287.10266	24.7
288.10986	1.4
289.11856	13.8
299.10291	31.1
305.11359	8.0
307.13098	0.8
317.11365	47.7
335.12433	13.2
335.16129	0.8
335.19778	0.9
347.74594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05511	1.7
57.03423	1.1
61.51611	0.9
65.03948	5.5
66.26963	1.0
67.05510	5.2
67.84151	1.3
69.03425	1.7
69.07069	100.0
69.58286	6.7
79.05488	2.0
80.07604	1.0
81.03433	1.4
81.07066	5.4
86.09744	1.5
87.42394	1.3
91.05500	3.7
92.05013	5.9
93.03400	1.2
93.07032	3.5
94.06589	5.2
95.04950	2.6
95.08617	2.2
96.08125	1.3
97.06535	14.2
97.28976	1.0
105.06976	1.9
107.08581	1.8
108.04482	1.8
112.07615	1.1
117.07025	1.1
120.04486	4.6
121.05263	1.6
121.06498	1.0
122.06035	9.8
123.08189	1.1
124.07641	2.3
125.06013	2.3
126.09208	1.2
127.03952	1.2
129.06999	1.2
132.04440	1.2
137.06017	1.8
138.05530	5.2
138.09135	1.7
140.07147	7.0
140.08046	1.4
142.08679	1.1
143.08563	1.5
144.08083	2.3
145.08890	2.7
145.10017	1.1
146.09659	2.1
147.06741	1.7
147.45702	1.1
148.03951	3.0
150.05510	86.2
157.08882	1.9
157.10146	1.3
158.06076	1.8
158.09679	1.4
159.10486	1.1
159.55559	1.0
161.08397	3.5
162.09128	2.5
164.03453	1.6
166.05008	29.3
168.06509	2.4
172.07532	1.9
172.11250	3.0
173.08377	2.1
174.09135	2.1
174.12798	4.7
176.03439	8.7
177.05597	1.3
178.05051	2.5
180.02934	1.5
186.07692	1.7
188.10721	1.8
190.12291	3.4
194.04495	5.9
198.07840	2.1
200.10783	4.7
202.12294	5.4
213.10283	3.7
215.11874	1.6
216.10153	3.5
218.11755	18.3
226.07329	2.6
227.11884	2.1
228.10289	9.9
229.05980	1.2
234.11266	2.8
241.09734	2.2
243.11322	3.1
246.11263	12.6
255.11177	2.1
257.09241	1.8
261.12390	1.6
269.09152	1.9
271.07385	1.9
271.10803	9.3
272.09128	2.0
273.12341	2.6
274.10800	1.8
287.10263	46.7
287.13467	2.4
289.11847	6.9
290.10159	1.3
299.05524	1.2
299.10303	8.7
299.13266	1.7
317.11322	36.2
335.12540	7.1
335.15738	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04574	0.9
60.89115	0.8
64.17956	0.9
65.03927	2.7
67.05506	4.2
69.07071	100.0
70.70459	2.8
73.95370	0.7
79.05494	1.7
80.04997	1.4
81.07066	4.2
82.06607	0.8
91.05473	1.3
92.05010	3.6
93.05822	1.1
93.07040	1.2
94.06573	5.0
95.04968	1.3
96.08142	0.9
97.05904	1.0
97.06530	17.5
105.06973	0.8
108.04470	1.6
109.06535	1.3
112.07621	0.9
120.04439	1.2
122.06030	9.7
124.07614	2.1
125.06013	1.2
131.07376	1.2
131.08466	0.9
134.05994	1.1
137.05986	3.8
138.05522	5.4
140.07072	7.5
144.08112	3.3
145.08888	2.6
145.10095	1.6
146.09631	4.0
148.03955	4.4
150.05510	86.3
157.08871	2.3
158.09619	1.5
159.10396	0.9
160.07628	1.3
160.11342	1.2
161.08324	3.8
162.09138	2.2
164.03412	1.2
166.05000	27.3
168.06567	1.8
171.51053	0.7
172.07610	1.8
172.11214	5.3
173.08357	2.4
174.09138	1.3
174.12746	5.8
176.03421	9.9
178.05032	2.8
182.04480	1.0
185.08304	1.2
186.07628	0.9
186.59599	0.9
188.10713	1.6
190.12305	4.7
194.04506	2.9
198.07864	2.4
200.10704	7.1
202.12268	8.1
204.06548	1.1
204.10149	0.8
213.10168	2.2
216.10222	4.1
218.08302	1.5
218.11755	28.2
226.08772	1.0
228.10220	17.3
229.13489	1.0
234.11307	3.5
243.11359	1.2
244.09689	2.7
245.12924	1.9
246.11270	27.9
253.09937	0.9
255.11343	1.1
256.09796	1.6
257.09244	1.6
261.08734	1.2
262.10910	0.9
269.09241	1.2
271.10776	5.1
272.09158	3.6
273.12286	3.1
274.10757	3.9
287.10336	8.5
289.11841	11.3
299.10226	8.6
317.11368	27.0
335.08588	1.4
335.12366	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	335.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01880	6.3
55.05517	13.5
56.05025	2.6
56.05838	0.9
56.96569	49.9
57.03437	5.6
57.07059	0.7
58.06619	3.0
59.04991	1.2
60.95825	0.7
61.02924	4.3
65.03933	1.0
66.93488	0.6
67.05515	5.0
68.05022	0.7
69.03436	16.8
69.06709	0.7
69.07074	9.1
69.41686	4.6
70.03757	1.4
70.06598	9.5
70.07421	0.7
70.98126	18.1
70.99848	0.6
71.05000	9.0
71.95260	1.9
72.04511	1.2
72.08159	4.9
72.96050	0.7
73.02921	7.0
73.06569	5.6
74.06066	2.2
74.06892	1.0
74.97615	2.2
75.04470	0.8
79.05507	1.5
81.03429	4.4
81.07024	0.5
82.03738	0.8
82.06580	2.8
82.99872	2.3
83.01340	0.9
83.04987	26.0
84.04511	9.8
84.08150	17.8
84.95653	0.6
84.96049	7.2
85.02912	22.0
85.06545	10.7
85.08440	1.2
85.08929	14.9
86.03236	1.9
86.06075	1.1
86.09741	0.9
86.99336	0.6
87.04469	4.9
87.08116	4.8
88.99167	7.3
91.03948	0.9
91.05488	5.5
92.05801	1.7
93.03387	3.0
94.06573	1.3
94.99861	0.8
95.04971	4.7
96.08115	1.5
97.02903	12.9
97.06529	5.1
97.96816	2.0
98.03214	1.8
98.06038	1.2
98.09712	3.5
98.20760	1.1
98.97590	84.7
99.04472	1.7
99.08114	2.4
99.97931	4.6
100.07617	8.7
100.11260	1.6
100.97209	1.2
100.98025	0.9
100.99152	1.8
101.00885	16.5
101.06025	1.6
101.07159	0.9
102.05548	19.6
102.09185	20.1
102.50397	0.6
102.96940	1.3
103.03944	0.9
103.05898	1.8
105.07062	1.0
107.00226	0.7
108.08144	4.4
108.08814	0.8
109.02888	3.2
109.08442	4.3
110.06039	3.9
110.09673	2.1
110.97581	13.0
110.98328	1.3
111.04479	5.4
111.97990	0.6
112.07613	100.0
112.99159	4.0
113.00878	6.9
113.06020	12.1
113.07903	3.9
114.06345	1.1
115.00708	1.6
115.02441	4.5
115.03950	1.1
115.07578	3.7
116.10735	0.7
116.98634	33.7
117.98965	1.9
119.01924	25.3
119.04951	6.0
120.05286	1.6
120.08105	8.9
121.10150	0.7
122.03666	1.1
122.06065	1.0
124.07622	3.4
124.99155	1.4
125.03550	1.0
125.06008	11.2
126.06644	1.6
127.00715	2.1
127.02407	1.4
127.03939	5.4
128.02332	1.2
128.04286	1.4
128.07085	4.3
128.10728	26.3
128.98618	14.1
129.02237	1.6
129.04001	2.1
130.05037	4.4
130.06586	4.6
130.08650	37.6
130.93350	0.7
131.00243	6.3
131.01912	17.3
131.05563	8.8
131.07112	0.9
131.08936	0.9
133.01732	1.0
133.03482	4.5
134.06070	0.8
134.99660	7.6
136.07585	2.8
137.00877	1.5
137.02963	1.5
137.05986	16.0
137.07880	0.7
138.02657	0.6
138.05455	0.7
138.06343	7.0
138.09180	1.6
139.00720	0.7
139.06476	0.6
140.00211	1.0
140.07080	8.0
140.98625	2.0
141.00491	0.6
141.07433	1.0
142.08650	1.4
143.00256	5.9
143.01907	44.3
143.08284	0.7
144.00546	0.9
144.98112	1.5
145.01764	3.5
145.03481	6.8
145.04964	2.0
146.02301	0.7
146.04182	1.6
146.11772	10.5
146.54311	1.1
146.99669	14.5
147.01347	1.1
147.03290	4.1
147.04449	10.9
148.04799	5.1
148.05864	0.9
148.07657	0.8
148.09697	13.9
149.01263	3.1
149.02986	1.5
149.06635	8.6
150.09164	2.2
150.99205	0.8
152.07042	3.0
152.98665	1.4
153.07454	2.3
154.07495	0.7
154.08649	1.4
154.96504	3.6
155.00099	1.1
155.01912	25.3
155.04576	10.6
155.05609	1.8
155.08072	0.7
155.54846	5.1
156.00299	0.9
156.02652	2.5
156.03773	0.9
156.04860	1.2
156.10228	1.4
156.98087	0.7
157.01717	2.3
157.03427	3.4
158.01227	0.7
158.08145	6.3
158.99664	20.4
159.05095	3.9
160.00113	2.3
160.09694	1.8
160.13336	5.2
161.01338	4.4
161.02963	48.0
162.03125	0.7
162.09222	0.9
162.99129	2.7
163.02859	2.4
163.04483	1.1
164.05200	1.8
164.07080	1.0
164.55441	1.8
165.00742	9.2
165.04326	0.8
166.08673	1.5
166.55450	0.7
167.01929	0.9
167.05580	2.2
168.06575	0.8
168.10265	3.3
169.01820	1.1
169.07127	1.2
170.08153	1.9
170.99635	3.1
171.03311	1.6
171.05009	0.8
172.09758	1.3
172.97597	16.8
173.01283	4.5
173.02995	20.0
173.04906	2.2
173.06590	25.0
173.12872	0.9
173.54579	0.9
174.11266	11.9
174.99252	1.1
175.02827	6.6
175.04399	1.2
176.10736	0.9
176.93721	0.9
177.00746	13.9
177.02316	0.8
177.04448	1.4
177.06091	3.7
178.01096	2.1
178.03613	0.7
178.08655	0.7
179.07091	2.6
180.07439	1.5
180.10249	0.7
181.00081	0.6
182.03439	2.5
182.08202	1.8
182.53560	2.4
182.99716	1.1
184.04614	2.3
184.09737	2.6
185.01364	1.2
185.03035	2.2
185.06604	28.0
186.99182	1.6
187.02782	1.6
187.08200	5.5
188.09207	2.2
188.11133	1.4
188.12756	3.9
189.00774	3.7
189.04382	3.1
189.06003	0.8
190.98653	27.8
191.02275	5.3
191.03972	1.4
191.05930	3.2
191.07719	7.2
193.00250	0.8
193.03857	2.8
194.11823	1.0
195.01913	0.9
196.09750	2.4
197.06693	1.6
197.55992	0.8
198.11493	0.6
199.04362	1.8
199.08128	2.7
199.54532	2.7
200.02382	0.7
200.97099	1.8
201.00684	3.4
201.04436	1.2
201.06166	1.5
203.02272	1.4
203.04007	8.5
203.07666	12.5
204.03027	0.7
204.10291	0.8
205.00229	9.9
205.03912	1.7
205.05624	0.8
205.09303	1.3
206.13937	2.2
207.01831	1.6
208.04832	2.9
208.55093	6.6
208.99706	3.4
209.03314	1.0
209.05156	1.0
209.07182	1.0
212.09233	1.8
212.12872	1.8
213.00871	0.7
213.04134	0.7
213.12393	1.1
214.10742	5.2
214.98695	3.4
215.02312	1.9
215.05896	1.5
215.07706	10.1
217.03610	0.7
217.05573	2.0
217.09262	2.0
217.55627	2.7
218.98239	6.8
219.01746	15.8
219.05280	1.1
219.07329	0.7
220.02303	1.3
220.05913	0.8
221.05089	17.6
222.11211	3.7
223.01234	6.9
225.06569	0.8
226.09439	1.0
227.07089	3.9
227.56960	7.7
227.59050	0.8
228.07022	1.6
229.04031	1.2
229.57323	1.0
231.01805	0.8
231.05551	1.0
231.13396	5.8
232.11867	12.5
232.99706	27.4
233.03371	2.6
233.08763	2.7
233.12160	7.5
234.03796	0.8
235.03026	2.9
235.04887	0.9
236.03209	1.3
236.99103	1.5
237.02832	16.7
238.03299	2.6
240.05737	1.0
240.08884	0.8
240.12320	11.4
242.03429	0.8
243.07777	1.7
244.07927	6.5
244.11833	0.9
244.57999	20.3
245.05130	2.5
245.08116	4.9
245.58170	0.9
247.01163	3.5
247.04959	3.6
249.02982	0.7
249.14613	1.5
251.00838	10.9
251.04453	1.6
252.04623	1.2
253.03912	1.7
253.58484	1.1
254.04080	1.0
254.13951	0.8
255.13435	3.4
257.08771	8.1
258.09509	0.7
258.13504	4.3
259.56653	1.3
260.99396	0.7
261.02982	1.6
265.02417	0.9
265.05902	1.7
265.08566	0.8
265.58740	1.2
269.05521	2.3
270.05914	2.5
271.04953	0.7
272.15063	2.5
273.14499	2.2
274.14844	0.8
275.00830	10.4
275.04257	2.2
275.09790	42.9
276.14450	1.2
279.03922	1.6
280.07126	2.5
280.57193	6.3
281.07285	1.9
285.14929	1.2
285.18094	18.8
289.06049	1.4
290.15991	7.0
291.07462	5.5
292.07932	1.5
293.01892	8.7
293.05463	3.8
293.10822	46.3
294.05746	5.8
294.11072	1.3
299.16061	4.3
303.15622	5.4
303.19244	14.0
307.07077	1.8
309.08612	7.8
310.08957	4.0
310.60345	0.7
311.06253	2.7
312.06860	10.6
316.03656	0.8
316.12463	1.8
317.01990	0.7
317.05371	1.1
317.13217	3.4
317.17221	11.4
317.20639	1.3
318.15323	15.2
325.60645	14.6
326.10815	4.7
334.61142	0.7
335.06177	1.4
335.12448	44.7
335.18527	10.5
335.21802	79.9
336.07428	1.5
336.12787	0.6
336.16647	2.0
351.09677	1.4
353.07611	2.5
353.11520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01863	0.6
55.05508	0.7
56.44936	0.4
62.51041	0.4
67.05498	1.0
69.03435	1.4
69.07070	0.5
69.43668	3.5
70.06611	0.5
71.04977	0.6
74.99155	0.3
75.45143	0.4
79.05479	0.9
81.03433	3.0
81.07068	1.2
83.05006	0.5
85.02909	0.7
85.06561	0.4
87.04474	1.0
90.50066	0.4
91.05466	1.1
93.07034	1.1
95.04987	0.7
95.08617	0.8
97.02877	0.5
97.06532	4.0
99.04453	0.8
102.83041	0.5
105.07037	1.0
107.05006	0.4
107.08577	1.0
109.02876	1.9
109.06504	0.9
109.10175	0.7
111.04428	0.6
113.06007	4.3
114.03175	0.8
119.04990	0.9
119.08574	0.9
121.02869	0.9
121.06520	2.9
121.10120	0.7
123.04478	0.5
123.08065	0.6
125.05981	0.7
125.09682	0.4
127.03908	0.9
129.05490	15.3
131.04941	0.6
131.08586	0.5
133.02812	0.8
133.10135	0.7
134.03641	1.3
135.08073	0.6
137.05981	3.8
141.05473	4.5
143.03397	1.2
145.10162	0.7
149.05975	1.2
151.03926	0.4
153.05470	2.0
157.04974	33.7
157.10194	0.4
158.05745	0.8
159.08044	0.5
161.06003	2.3
162.03145	3.6
174.06754	0.6
175.03873	0.8
175.54633	0.4
177.05482	100.0
179.07048	1.2
187.07567	1.8
201.05588	0.5
201.09137	0.8
203.07068	0.5
211.07635	0.9
212.66818	0.4
213.05528	0.5
215.07063	2.9
229.05028	0.5
229.08588	2.4
243.06273	0.6
257.08051	2.9
271.09860	0.6
283.05817	0.5
284.06702	0.5
289.10565	2.1
293.14975	0.7
299.09479	0.8
303.13507	0.5
304.13235	0.4
317.10358	1.3
324.80502	0.5
335.05487	0.5
335.11075	2.6
335.21249	0.6
337.53653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03683	1.7
55.01874	3.6
55.05507	6.2
56.96566	11.6
57.03434	2.4
57.07076	6.3
63.26712	1.8
67.05511	17.4
69.07072	11.3
71.08647	11.0
71.57867	2.6
72.04521	77.0
79.05493	14.3
81.07055	22.2
81.07520	2.8
83.08617	2.5
85.06540	3.0
87.14367	1.6
88.07629	2.6
91.05472	11.2
93.07047	19.2
95.04974	18.7
95.08613	25.3
97.06522	6.9
98.97575	9.9
99.08095	7.9
100.07625	2.7
105.07029	14.9
105.33757	1.9
107.08611	17.7
109.06530	22.3
109.10146	9.4
111.08070	2.0
112.66804	1.7
114.09181	20.1
116.98634	7.3
117.07050	3.8
119.08585	10.7
120.08901	2.1
121.06521	4.9
121.10167	7.2
123.08088	2.6
128.10745	6.7
131.08560	6.6
133.10095	10.9
134.99693	4.4
135.08008	3.7
135.11647	4.0
137.09589	3.2
138.85670	1.7
142.12323	3.8
143.00174	1.9
143.08562	2.2
145.10156	4.1
147.11667	3.7
149.09709	2.0
149.13271	4.5
151.11174	2.0
156.13966	2.3
159.11749	2.7
161.13318	2.5
163.14857	3.0
165.12770	100.0
173.13254	8.6
175.11229	6.8
180.13814	4.3
182.15381	17.4
184.13255	3.4
184.16998	1.9
187.14796	1.7
191.14287	10.2
194.15376	2.1
201.12764	6.4
212.16475	8.1
220.17026	12.3
229.19539	2.4
233.03403	1.6
236.20110	41.4
251.04376	2.2
263.13510	2.0
269.05624	2.2
271.20648	8.3
289.21640	9.7
290.12448	1.9
293.05612	2.5
311.06503	10.0
316.26230	4.0
334.08124	2.8
334.15189	2.2
334.20755	4.0
334.27417	46.4
335.15393	2.6
335.22144	3.6
335.25836	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	334.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01875	1.5
55.05508	7.4
56.96571	1.2
57.03431	2.6
61.02919	3.0
66.24600	0.9
69.03442	6.9
69.07050	1.4
69.11649	1.1
70.06574	4.1
70.93140	2.7
71.04992	2.5
72.02734	1.0
72.08144	1.7
77.24026	1.1
79.05492	4.8
81.03405	3.7
81.07066	21.0
83.08636	6.8
84.08143	2.7
84.96030	1.5
85.02411	1.9
85.02906	21.2
85.06552	5.5
86.09700	2.6
87.04472	1.3
91.05503	2.3
93.07037	1.9
93.34615	1.3
95.04962	1.8
97.02879	7.2
97.06528	1.5
98.09678	2.3
98.20857	1.1
98.97562	5.2
99.04463	1.9
99.08080	2.5
108.08109	3.9
109.02856	1.7
109.06515	18.7
110.06065	1.5
110.97520	1.4
112.07564	2.4
118.06879	2.2
124.07567	2.1
126.09161	49.5
127.03917	3.4
127.07558	20.3
130.08589	1.6
136.07530	1.5
137.05975	1.5
142.08624	2.6
145.04942	2.3
154.08635	65.0
155.07034	44.0
160.07899	1.8
172.09692	100.0
184.09877	1.2
188.07356	3.1
269.05402	1.6
311.06821	1.4
316.13782	1.5
317.11194	1.5
334.09171	5.2
334.15012	3.1
334.18668	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	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75077	0.6
56.96553	1.1
70.17641	1.6
70.18042	1.7
72.37176	0.7
81.07050	0.7
93.07074	0.9
98.98475	1.8
99.01654	0.7
99.70995	0.6
101.50091	0.6
105.07030	1.1
108.97987	0.7
126.60531	0.7
129.12666	0.8
133.10097	1.2
144.47878	0.7
151.07585	1.6
153.05457	1.6
159.11781	0.7
235.13184	0.8
251.12581	0.8
269.10547	0.9
303.06577	0.9
333.11688	1.9
333.20383	100.0
333.43881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	26.8
70.69231	3.3
70.98130	2.6
71.02168	1.6
71.95270	2.0
84.12772	1.6
84.96047	13.3
87.18217	1.4
97.96822	4.0
98.97593	82.1
110.97581	5.4
112.99141	3.0
116.98634	38.7
124.99108	7.1
128.98503	3.1
130.93312	1.7
131.00172	7.3
134.99684	13.5
136.99170	1.3
139.00706	1.5
140.00183	3.6
140.98651	2.3
141.74783	1.3
141.99356	3.9
143.00183	16.5
149.01198	2.4
155.00212	3.3
157.01756	4.8
158.01408	1.7
158.98503	1.5
158.99654	6.6
161.01205	7.5
172.94373	1.6
173.01244	9.1
175.02866	2.0
177.00697	4.7
182.99667	2.3
191.02255	4.3
201.00682	1.8
219.01721	6.7
232.96559	1.6
233.03357	7.4
237.02844	4.8
250.93353	1.4
251.04395	17.4
260.46658	1.4
264.87704	2.4
269.05460	40.2
274.97458	2.2
282.88779	1.7
287.06503	5.4
292.07138	2.7
293.05460	41.9
311.06516	100.0
329.07483	4.9
334.08173	12.5
346.38159	1.7
353.83252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
54.03008	0.5
55.05505	0.8
56.96549	2.3
67.05502	1.0
69.07075	1.0
71.57715	0.9
75.43567	0.5
77.00932	0.7
79.05489	1.1
81.07050	1.1
86.80141	0.5
91.05484	12.8
93.07036	0.9
95.04945	0.8
98.97587	1.5
98.98474	9.8
100.98866	0.8
105.07016	1.2
116.98660	1.0
119.08591	1.0
129.07008	0.7
131.08527	0.8
133.10141	1.1
145.10037	0.6
147.04401	0.6
152.90829	0.5
153.05466	0.7
165.07018	0.6
175.03896	3.9
176.98921	1.0
179.08546	0.8
183.95253	0.5
193.05046	0.5
195.09950	1.0
201.09752	1.1
207.08180	0.6
211.07513	0.6
213.09755	0.6
215.11215	1.5
225.09200	0.8
227.11240	0.6
231.10750	1.1
235.13092	0.6
243.12808	0.8
253.08607	13.8
253.12714	0.7
261.14273	0.7
287.11655	1.4
313.46405	0.6
315.18240	1.9
333.15417	2.9
333.20361	100.0
334.20563	1.0
351.14725	0.5
351.20151	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.6
69.65871	1.0
69.66279	2.9
72.20167	0.6
79.05489	0.6
81.06999	0.6
86.56570	0.5
91.05483	2.5
98.98466	0.9
105.07047	0.9
107.60662	0.5
131.08574	0.6
161.02489	0.5
175.03836	0.6
227.11285	1.2
235.53688	0.5
245.12360	0.7
251.43541	0.5
253.08508	0.6
263.12598	0.9
315.18726	0.7
333.20380	100.0
334.20547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36368	1.1
55.01857	3.4
55.05519	12.8
56.05037	1.6
57.03410	1.2
57.08329	1.0
58.06593	3.2
67.05490	1.7
70.06575	1.3
70.79505	2.4
70.79848	1.2
72.08131	1.2
82.04221	1.4
82.06588	11.5
83.04990	37.8
84.08154	9.8
85.06554	6.2
85.08446	1.7
85.08932	24.5
86.06092	1.2
87.08107	4.2
93.03406	5.0
97.06548	6.2
98.06048	4.9
98.09723	6.4
100.07621	10.4
100.11252	2.6
102.09193	38.2
110.06072	10.0
110.09652	2.4
111.04450	19.2
111.80170	1.0
113.06010	2.4
115.07572	5.1
125.05159	1.6
125.06005	17.3
126.05506	3.4
128.07092	67.6
128.10735	38.9
144.06577	4.0
146.08162	3.3
150.09178	2.5
154.05049	2.0
156.10182	2.1
160.07655	1.4
160.13319	4.2
174.09200	1.2
174.11235	1.3
178.08650	2.6
188.12859	3.1
192.10187	2.6
210.11208	1.8
220.09732	6.3
228.12402	2.2
238.10773	5.3
256.11801	5.6
283.16599	6.5
288.14447	4.5
301.17609	50.3
315.19348	1.1
333.11948	5.2
333.20227	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74323	1.2
70.74657	1.2
83.04916	0.6
98.98473	0.7
104.02050	0.6
107.93543	0.6
113.29044	0.7
137.19449	0.6
175.61627	0.6
247.13104	4.0
262.10007	0.6
275.07123	1.0
303.06540	4.2
305.07831	0.7
315.19290	7.6
318.08807	1.7
333.11575	7.3
333.20380	100.0
334.20712	1.1
336.88763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
55.05305	0.9
55.05517	10.7
56.05027	1.4
58.06616	2.1
67.05493	2.1
69.63609	1.0
70.06580	2.1
70.77405	1.8
70.77733	0.9
72.08148	1.8
79.05451	0.9
82.06594	8.3
83.04989	35.2
84.08150	6.1
85.06553	5.5
85.08446	1.6
85.08929	19.8
86.06086	1.5
87.08106	4.6
93.03407	3.4
97.06538	4.7
98.06048	3.5
98.09711	5.1
99.15205	0.9
100.07623	9.4
100.11227	1.4
102.09191	32.1
102.09877	1.6
108.08186	1.0
110.06071	9.1
110.09670	2.4
111.04448	15.3
113.06014	2.2
115.07591	5.8
122.09643	1.0
125.06001	17.1
126.05511	2.4
128.07089	64.5
128.10727	42.9
138.05550	1.6
140.71883	1.0
144.06560	4.7
146.08128	4.0
150.09155	2.6
154.04971	1.0
156.10237	1.4
160.07596	1.4
160.13338	3.3
178.08661	2.3
188.12842	3.1
192.10194	2.0
210.11290	2.6
210.23396	0.9
220.09612	5.1
228.12256	2.6
238.10800	5.4
256.11783	7.2
283.16464	3.3
288.14420	4.9
301.17596	48.7
333.20215	100.0
334.20734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
55.05517	16.4
56.05051	1.7
56.96568	3.0
58.06612	2.4
60.64483	1.2
60.94233	1.0
61.02941	2.1
65.03941	1.1
65.59291	1.2
65.97350	1.1
67.05524	2.9
69.03447	3.1
69.07080	1.1
70.06613	3.4
70.49430	2.2
70.49794	2.0
71.04997	1.7
72.08174	1.6
73.02940	2.0
75.37485	1.0
81.03445	1.8
82.04189	1.8
82.06593	10.9
82.80908	1.0
83.04990	35.6
84.08157	8.3
85.02915	5.9
85.06544	6.7
85.08936	26.7
86.06092	3.5
87.08138	4.0
93.03426	3.7
96.04502	1.4
97.02882	1.6
97.06550	6.0
98.06084	3.2
98.09695	6.3
98.97587	8.7
100.07631	11.7
100.11286	1.8
102.05561	2.9
102.09192	32.1
103.08740	2.2
108.08163	4.0
109.08493	4.3
110.01299	1.1
110.06043	10.9
110.09721	1.5
111.04457	18.9
112.07600	5.1
113.06022	4.4
113.07967	2.2
115.07607	5.3
116.04792	2.1
124.07632	1.2
125.06010	14.0
126.05554	4.0
127.03970	1.3
128.07092	65.2
128.10732	41.9
129.07410	1.7
130.08676	1.1
131.00154	1.3
134.06071	1.2
135.03198	1.1
138.05502	2.5
139.05830	1.5
140.07104	2.2
144.06544	6.4
146.08163	4.4
150.09181	1.6
152.07053	1.6
153.07497	2.4
154.05080	2.7
156.10318	2.0
160.03775	1.9
160.07678	2.9
160.13399	3.3
161.01332	1.9
164.07108	1.6
166.08502	1.0
171.04259	4.5
171.06317	1.7
174.11340	3.9
178.08699	2.4
188.12791	6.8
192.10307	2.5
202.09032	1.1
210.11398	1.9
213.09557	1.3
219.01942	1.8
220.08023	1.1
220.09712	5.6
228.12392	1.5
231.10716	2.8
232.11896	2.0
236.05638	2.4
238.10725	6.5
243.06464	2.7
256.11832	7.4
269.05582	2.4
283.16690	4.4
288.14639	4.5
293.05518	3.1
301.17603	55.1
308.59891	1.1
311.06613	2.3
315.13065	2.0
315.17593	9.6
333.11331	5.4
333.20361	100.0
334.20020	3.0
359.99741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39124	3.0
53.03947	4.1
54.74791	3.1
55.01864	7.7
55.05512	11.6
57.03427	11.0
57.07080	18.1
59.04996	12.3
60.08154	5.3
61.02921	8.3
65.03961	3.9
67.05513	25.6
68.06187	3.0
69.03429	45.4
69.07069	21.6
70.06586	5.1
70.92318	5.9
71.04987	10.4
73.02908	5.7
79.05495	12.5
81.03446	14.4
81.07063	22.1
82.06557	3.3
83.01345	5.1
83.04990	16.5
83.08633	8.2
84.08137	5.5
85.02908	100.0
85.06553	29.0
85.08916	3.9
86.09711	9.9
87.04461	5.6
91.03939	6.8
91.05473	12.7
93.07051	14.5
95.04967	11.0
95.08608	66.7
97.02887	28.4
97.06521	10.5
98.97575	4.6
98.98494	17.0
99.04494	4.4
99.08094	23.7
102.09181	5.2
105.03432	3.4
105.07040	12.0
107.04993	2.9
107.08602	18.4
108.08157	5.1
109.02904	20.5
109.06505	16.0
109.08450	4.0
109.10162	27.9
110.06060	4.2
111.04437	6.2
111.08091	12.4
111.11736	6.8
112.07649	4.6
113.09651	70.8
117.07038	5.3
119.04945	3.7
119.08591	10.3
121.06482	7.7
121.10161	9.8
123.11696	9.5
124.79483	3.1
125.05978	8.5
127.03919	31.2
127.11201	45.9
127.23927	3.5
128.07069	12.1
128.10722	7.5
129.07019	4.0
131.08560	5.3
133.02831	5.1
133.06505	8.9
133.10109	6.1
135.08058	5.8
135.11638	16.8
137.05977	9.5
137.07857	3.0
137.13235	6.8
138.05530	4.4
143.08502	5.3
145.04955	22.2
145.06427	3.3
145.10159	6.6
146.40466	3.2
147.04379	4.1
147.11711	7.5
148.07576	4.5
149.09659	6.7
150.05476	4.0
151.03940	5.7
151.07561	8.5
152.07071	7.7
153.05464	4.5
153.12744	76.4
155.14302	15.0
161.05949	3.3
161.13268	3.9
165.05460	3.2
165.07048	3.4
166.45338	3.3
167.03403	4.8
167.07077	10.8
168.04434	4.1
169.04904	5.2
171.06491	3.6
171.11768	2.6
171.12280	4.5
171.13780	45.6
173.13002	3.6
175.03868	3.5
175.07437	4.8
177.12737	5.0
179.03288	3.8
179.07199	3.4
181.08740	6.0
189.12743	11.1
193.04973	5.9
195.13876	3.8
199.08669	6.9
200.07080	3.3
201.10336	6.1
203.07207	3.5
207.06648	3.2
207.13872	5.4
208.06151	3.7
212.09442	3.5
218.09250	3.8
225.10178	4.1
227.08105	9.4
227.11812	5.6
229.08611	6.3
235.09648	13.3
241.09727	11.7
242.27266	2.9
243.11382	3.9
255.07675	6.0
255.11304	9.4
269.09262	26.1
269.12949	4.1
270.10144	7.1
271.10794	4.1
272.11584	6.7
273.08627	8.9
273.11935	6.1
274.07230	4.6
283.10736	9.4
287.10257	4.0
287.13727	5.4
297.08716	10.8
297.12198	7.2
301.11884	34.3
301.17520	8.2
315.09631	35.0
315.13327	41.0
333.10608	26.7
333.14380	39.1
333.17221	6.2
333.20032	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	333.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.8
56.96571	39.7
67.66381	0.7
69.95175	1.7
69.95569	1.3
71.95274	8.1
72.65449	0.6
72.96054	1.2
73.51920	0.6
74.97615	0.8
84.96027	4.0
91.05488	1.1
95.08614	0.8
97.96807	6.0
98.97569	1.6
98.98474	2.4
105.00175	2.3
105.07027	1.3
110.97581	22.5
112.99187	1.1
115.97849	2.2
116.98566	0.9
119.01691	1.0
123.01202	1.7
124.99133	1.3
128.98619	19.8
128.99565	1.2
131.00052	1.3
137.02765	2.2
141.02208	0.7
143.00136	3.5
143.03773	0.8
146.99681	7.3
151.00676	0.8
151.04254	1.1
152.00243	0.9
154.64471	0.7
155.03770	1.0
161.01231	2.2
167.03815	1.0
171.03328	2.8
175.02808	2.1
175.04088	1.1
179.00159	0.7
183.03259	1.1
185.04903	1.9
189.00583	1.0
189.04430	1.8
190.05197	0.8
191.05914	0.8
197.04893	1.1
199.06552	0.8
199.14961	0.8
201.87326	0.8
203.03786	0.7
203.05881	1.2
205.07462	0.8
213.02504	0.7
217.05319	0.7
217.07530	1.1
220.64488	0.8
225.07927	1.3
227.09541	1.5
231.09030	0.9
233.94299	0.8
241.11214	1.9
245.08476	1.2
245.10689	1.0
249.08011	0.9
252.10367	1.4
253.08839	0.6
257.20752	0.7
259.12192	1.4
263.09601	5.1
264.10205	0.9
265.11197	1.1
267.09082	1.0
276.22845	0.8
277.11069	1.6
285.11987	0.7
291.12717	0.7
303.12698	3.6
313.14703	1.6
315.16321	81.2
316.16739	2.0
317.13940	1.0
321.13815	0.8
331.15710	3.8
333.17395	100.0
334.17682	1.7
351.18420	16.3
356.18994	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	333.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	41.6
57.76196	0.5
59.65917	0.5
67.05507	1.1
69.07063	0.9
69.54301	4.2
71.95262	8.1
72.96059	2.8
74.97606	0.9
79.05513	0.7
81.07061	0.9
84.96041	2.7
91.05474	3.1
93.07058	1.0
97.96812	2.2
98.97583	1.4
98.98479	2.0
105.00173	3.2
105.07023	1.3
107.08577	0.7
109.50912	0.5
110.97578	9.5
115.00724	1.1
115.97809	0.6
117.07044	0.5
119.01710	1.2
121.58599	0.5
123.01196	2.6
127.00665	0.7
128.98639	7.8
129.02275	3.3
137.02773	3.5
138.45586	0.5
139.00670	0.7
141.02248	1.0
143.00172	1.6
143.03845	1.3
145.01738	0.8
146.99655	2.7
147.03323	1.7
151.00722	1.7
151.04303	1.6
152.00194	0.7
155.03813	2.1
157.10152	0.6
160.04402	0.6
161.01225	1.2
161.04843	0.8
165.02228	0.6
167.03857	1.0
169.01729	1.0
169.05400	1.4
171.03296	1.5
173.04823	0.9
175.02634	0.6
175.04005	1.3
175.06438	0.8
175.30762	0.5
177.05679	1.1
183.03403	0.8
183.07008	0.7
185.04852	2.0
187.02737	0.6
187.06456	1.0
189.04422	1.1
195.06949	0.7
199.06444	0.7
201.07982	0.6
203.05893	0.7
205.07484	0.7
209.08592	0.6
211.06363	0.7
213.07997	2.0
217.07445	1.3
219.03114	0.6
221.08530	0.6
227.09610	2.1
231.09064	1.7
239.09567	5.4
241.11180	3.0
243.09010	0.6
245.10681	1.0
251.43903	0.6
253.08694	0.9
253.10907	2.5
257.10645	2.1
259.12228	1.5
261.11621	3.6
263.09613	0.7
263.13290	0.6
265.11075	1.2
267.12677	4.0
271.12167	1.3
273.11407	0.8
275.13239	5.4
277.11105	1.7
279.12683	11.8
281.14365	4.5
291.12723	6.3
293.14261	11.1
293.17517	0.7
297.13751	14.4
303.06284	0.9
303.16278	0.9
309.10638	0.6
309.13733	3.1
309.16855	0.5
311.15280	2.1
315.16190	3.9
316.15884	1.4
321.17331	1.2
327.14471	0.6
331.16058	0.8
333.17404	100.0
333.33466	1.4
334.17654	1.7
351.18433	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65023	0.9
56.05041	7.0
57.05815	1.2
60.05645	3.5
70.06602	2.3
70.08731	4.7
75.93021	1.0
83.06084	4.3
92.07202	1.0
95.06087	3.3
98.20712	1.1
105.03394	1.8
105.05793	1.9
111.05566	6.2
112.08745	1.4
113.07133	4.9
120.04457	4.3
126.06647	6.8
127.07423	1.3
132.04471	16.8
134.06033	7.3
137.04706	1.6
140.08153	2.0
151.06178	10.0
162.05594	2.4
164.07065	8.5
179.08229	2.3
188.07082	1.0
190.08780	1.4
202.09787	7.8
203.08157	1.0
217.09674	6.5
230.09264	7.4
232.10797	2.3
242.09258	3.5
245.09227	26.1
247.10812	1.7
257.10379	4.5
259.11920	51.0
260.10028	2.3
274.11984	1.7
284.11414	8.3
291.14529	100.0
301.13913	1.5
302.12485	51.4
316.14041	3.0
333.16705	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01878	1.0
55.05496	0.6
57.03404	0.6
65.03934	0.4
67.05502	1.2
69.03428	1.0
70.06599	2.0
71.04975	0.6
71.57668	0.4
71.58107	0.6
72.08150	0.9
73.02897	0.4
74.79621	0.4
79.05503	0.7
81.03416	0.9
82.06596	0.6
83.04967	1.5
83.22211	0.3
84.08142	1.6
85.02897	1.5
85.08913	0.6
86.09696	0.5
87.04459	0.5
91.05479	1.3
93.07029	0.8
95.04977	1.1
98.97575	0.8
98.98479	2.9
100.07601	0.7
100.62053	0.4
102.09163	0.5
103.05483	0.5
105.06996	1.3
107.04906	0.8
107.08561	0.5
108.08091	0.6
109.02905	0.9
110.06059	0.6
111.04404	0.7
112.07561	0.4
115.05457	1.2
117.06992	1.0
120.08161	0.5
121.06517	0.7
124.07590	0.4
125.05979	0.7
126.90448	0.4
127.02265	0.4
128.06221	0.8
128.07094	1.1
128.10719	0.8
129.06979	1.5
130.06560	0.5
131.04926	2.0
131.08551	0.6
133.06506	0.6
134.05978	0.5
137.05969	0.6
138.05498	0.8
141.06999	1.7
141.10193	0.4
145.06497	1.7
147.04395	0.6
152.07176	0.6
153.06998	2.1
154.07735	0.8
155.08578	3.5
157.06499	2.5
158.07213	0.5
159.08049	0.9
165.05685	0.6
165.06920	2.3
166.04999	1.2
167.07002	0.6
168.05656	0.6
169.06416	0.6
169.07655	0.7
171.08060	0.7
171.09985	2.5
173.06007	6.6
175.07483	0.5
183.08066	5.7
185.05908	0.6
187.07584	0.8
191.05740	0.6
197.07222	2.1
199.07439	0.7
201.09148	1.8
203.43480	0.5
211.07516	6.0
212.07889	0.6
219.01965	0.5
229.08603	6.8
241.09760	1.1
245.09225	0.6
247.09703	1.6
248.11192	0.4
269.09232	1.0
270.08447	0.5
273.08813	1.0
276.47900	0.4
287.10300	1.4
297.08716	0.7
305.11273	0.6
315.09744	4.1
315.13138	1.1
327.68411	0.4
333.10977	6.2
333.15173	100.0
334.15402	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1334
Annotation	7,3'-Dihydroxy-8,2',4'-trimethoxyisoflavan
Peak:m/z	Relative Intensity
53.03931	2.3
56.26752	0.6
56.96569	1.5
57.03412	0.5
65.03922	0.9
67.05505	0.9
69.07057	1.7
69.84303	3.2
72.66695	0.5
77.03924	0.7
78.04661	0.6
79.05054	1.1
79.05496	19.0
81.03413	1.1
81.07058	2.1
82.04202	0.7
88.40919	0.5
91.05488	3.3
93.07050	0.8
94.04186	0.7
95.04963	2.9
98.21481	0.7
98.97606	1.1
98.98479	3.3
103.05460	1.3
105.06358	0.8
105.07037	6.0
106.04175	0.7
107.04964	32.4
107.08562	0.8
109.06508	0.7
110.03649	1.2
111.08077	0.7
115.05451	1.4
118.04145	0.8
119.04939	3.6
121.06490	1.8
122.03680	1.2
123.04477	1.0
124.05209	6.7
125.06003	3.8
133.06511	4.1
135.04407	1.1
137.06003	0.8
138.03127	25.6
147.04422	2.4
151.03874	1.0
151.07579	1.2
152.04660	3.5
153.05476	100.0
161.05998	3.2
164.04712	0.8
165.15199	0.6
167.07053	67.9
175.03903	1.9
179.07036	5.6
181.08583	0.9
189.00592	0.6
190.86749	0.6
193.08667	1.6
212.04552	0.7
225.97908	0.8
265.59961	0.6
271.05832	0.8
283.06119	1.3
291.14685	1.0
298.04721	1.3
299.05170	0.6
313.07104	2.4
314.07443	2.1
332.54544	7.4
333.04776	1.7
333.16754	0.9
333.20526	0.8
334.29614	1.5
341.55139	2.5
342.04892	0.9
353.05692	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.097
Annotation	Sulochrin
Peak:m/z	Relative Intensity
53.03945	0.8
53.23452	0.5
55.01874	1.2
55.05515	0.5
56.96561	0.5
59.04995	0.5
65.03941	0.9
66.35624	0.5
67.01881	0.5
67.05510	3.5
68.99795	3.1
69.03423	1.0
69.07072	1.8
70.06625	0.6
70.26356	1.8
79.05496	5.6
81.03426	4.7
81.07057	1.0
83.04991	5.7
88.07641	0.7
88.70395	0.5
91.05489	4.8
93.07047	0.6
95.04986	8.4
98.97601	1.8
98.98444	1.3
103.05465	0.9
105.03432	0.6
105.04427	0.4
105.07037	1.8
107.04971	12.7
109.02866	1.0
110.97552	0.5
111.00782	0.8
115.05416	0.8
119.04939	4.2
119.06269	0.5
121.02918	0.6
121.06465	0.8
122.71884	0.5
123.04443	48.9
124.05215	1.9
125.05956	1.0
133.02864	3.2
133.06508	2.9
137.06009	3.8
139.03920	0.9
140.04707	1.9
147.04408	3.0
149.02353	2.2
149.05994	1.0
151.03920	100.0
152.04509	0.9
153.01863	6.2
153.05444	1.6
153.06598	0.5
154.06284	0.9
155.07013	1.1
157.06543	0.9
158.99702	0.9
161.02330	0.7
161.05972	3.6
163.03951	4.9
164.04726	0.8
165.05487	2.1
167.03445	2.0
167.07057	50.2
175.03908	0.8
179.03416	20.6
179.07031	13.4
179.08533	1.1
180.07809	1.1
181.04958	0.5
183.06528	0.9
184.48961	0.5
185.05971	0.6
189.05544	0.8
199.07600	1.3
203.07132	0.7
207.06529	3.3
209.04308	0.6
213.05444	1.8
217.08578	0.7
227.06996	3.6
228.23187	1.1
234.03874	0.7
236.10194	0.6
241.04945	0.7
245.08183	2.6
254.05676	0.6
255.06583	1.5
259.06305	0.6
259.09924	0.8
273.07648	1.8
274.08340	0.6
283.05859	0.6
287.09174	0.8
301.07138	0.8
305.10239	4.9
308.08319	0.5
315.08621	1.7
333.09708	38.1
333.20410	1.0
334.09988	0.8
334.29562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.097
Annotation	Drimiopsin B
Peak:m/z	Relative Intensity
59.78205	0.1
63.02370	0.2
65.03919	0.3
67.05493	0.3
68.25072	0.2
69.03425	0.2
69.35008	1.3
70.52973	0.2
71.04968	0.3
79.05496	0.2
83.05017	0.2
85.58370	0.2
87.04479	0.2
89.03904	0.2
91.05480	0.5
93.03407	0.2
95.04991	0.3
98.98466	0.2
104.71620	0.2
104.86492	0.2
105.03375	0.3
105.08723	0.2
107.04962	0.2
107.08553	0.2
111.04388	0.2
113.06021	0.5
114.03130	0.6
114.40667	0.1
117.03411	0.2
119.04983	1.0
120.65561	0.1
121.02821	0.2
123.04385	0.3
125.05965	0.6
129.05490	4.6
135.04372	0.2
137.05917	0.2
138.03178	0.2
139.03920	1.2
141.05458	0.5
141.06958	0.2
145.02827	0.3
145.06502	0.2
145.10197	0.2
147.04405	0.7
151.03900	4.5
153.05470	0.3
157.04976	7.4
162.03114	0.6
163.03935	0.4
165.05437	0.2
167.07002	0.2
169.06450	0.3
175.03909	100.0
176.04277	1.1
177.05472	0.4
185.06001	0.2
188.04654	0.6
197.05971	0.3
199.03973	0.4
201.05446	1.9
213.05505	0.4
214.02641	1.1
214.06223	0.2
215.03412	0.3
215.06955	0.3
216.07855	0.3
225.05428	0.5
226.06194	0.3
227.07018	0.4
229.04999	2.4
241.05046	0.4
243.06493	0.2
253.04984	1.0
255.06578	0.9
257.04367	0.8
257.08255	0.3
271.06039	0.9
272.06686	0.9
273.07526	0.2
283.06039	0.8
285.07516	0.7
287.09262	0.3
291.14557	0.3
299.05441	0.7
300.06290	7.4
301.06943	0.6
303.09317	0.2
315.08621	6.6
333.09698	11.7
333.20386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0971
Annotation	Sulochrin
Peak:m/z	Relative Intensity
51.02385	0.6
53.03935	1.2
55.01879	1.0
55.05500	0.7
56.96574	2.2
59.04997	1.5
65.03944	1.2
67.01875	0.4
67.05507	3.7
68.99793	3.6
69.03419	0.5
69.07085	2.5
69.07407	0.5
69.59544	2.2
77.03932	0.5
79.05505	5.5
80.91012	0.4
81.03423	5.0
81.07050	1.9
83.04985	5.0
85.02885	0.9
91.05483	5.7
93.07043	1.3
95.04430	0.7
95.04982	8.0
95.08613	1.8
97.02925	0.7
97.10166	0.6
98.97582	2.5
98.98461	1.7
102.09185	0.5
103.05486	1.0
105.03371	1.0
105.04547	0.8
105.07008	2.7
107.04969	12.9
107.08618	1.2
109.02879	2.3
109.06533	0.9
109.10157	0.8
111.00823	0.4
111.04426	0.4
111.08131	0.6
111.11727	0.5
115.05457	0.5
116.98652	0.4
117.07046	0.5
119.04961	4.6
119.08562	0.7
121.02879	0.6
121.06519	2.0
121.10137	0.7
123.04442	48.5
124.05214	1.5
125.06057	1.0
127.03891	0.5
129.07018	0.5
131.04962	0.4
131.08525	0.7
133.02861	2.0
133.06508	2.6
133.10146	0.8
135.04486	0.8
137.06006	4.2
139.03903	1.0
140.04675	0.8
143.08557	0.5
145.10104	0.8
147.04411	2.6
149.02385	3.0
149.05965	0.8
151.03917	100.0
152.04521	1.3
153.01831	5.7
153.05487	1.4
153.06755	0.4
154.06291	0.9
155.07057	1.1
157.06497	0.6
157.10249	0.5
158.99617	0.6
159.11731	0.7
161.05972	3.0
163.03918	4.9
165.05479	1.6
167.03387	2.8
167.07056	47.3
175.03871	1.0
177.05470	0.9
179.01822	1.0
179.03424	19.6
179.07033	11.1
180.07764	1.2
181.04982	0.5
183.06595	0.7
184.05212	0.6
185.05911	1.2
189.05504	1.6
189.09067	0.4
199.07518	1.0
200.04413	0.5
201.05612	0.5
201.09050	0.5
201.16347	0.5
203.07179	0.9
206.05835	0.5
207.06519	3.3
209.04500	1.1
212.04611	0.6
213.05473	1.6
227.07074	4.4
228.23232	0.9
229.08669	0.5
231.06511	0.8
234.03937	1.5
245.08049	2.5
254.05743	0.6
255.06502	2.0
259.09726	0.5
273.07553	2.9
287.09113	0.7
301.07202	0.9
305.10205	4.4
315.08868	2.2
333.09677	36.3
333.16296	1.0
333.20184	2.7
334.10175	0.7
334.29538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	0.7
55.01624	0.9
55.01875	11.2
55.05497	0.8
56.05025	2.0
57.03429	1.6
59.06102	2.8
61.02917	1.4
65.03947	0.8
67.05497	2.5
68.05035	4.7
69.03426	3.3
69.07059	1.8
70.06580	2.5
70.35525	2.9
71.04986	5.1
71.06108	1.7
72.04494	2.0
72.08148	0.8
73.02914	1.6
74.06100	0.9
76.16016	0.7
79.33770	0.7
81.03417	1.2
82.02960	1.0
82.06568	3.2
82.92564	0.7
84.04504	2.2
84.08150	5.4
85.02902	8.8
85.06553	4.5
85.07650	0.9
85.08907	1.6
86.06071	4.7
87.04464	1.0
95.04965	2.5
96.04482	8.6
96.08163	0.6
97.02893	1.5
97.07649	1.3
98.06036	1.8
98.09660	0.8
98.20821	0.8
98.97604	0.9
100.03986	9.0
102.05545	4.7
102.09191	2.0
103.08705	16.0
104.10747	1.2
106.06554	1.9
108.08121	35.7
109.25196	0.7
110.05346	1.3
110.06038	8.9
111.04434	2.0
112.07609	46.2
113.06004	8.6
113.07131	2.3
115.08678	2.0
117.26254	0.7
122.06033	5.7
123.06801	1.5
124.07601	7.6
125.06055	0.8
127.03937	1.3
128.07086	19.5
128.10706	2.4
130.08643	17.2
134.06035	4.5
136.07587	5.7
138.05490	11.9
138.09135	1.9
139.08626	1.3
140.07069	1.9
140.08118	1.5
141.06586	6.9
141.86188	0.7
143.08180	0.9
146.08084	1.7
148.07574	1.9
150.09174	0.7
152.07069	25.3
154.08592	0.8
157.09712	5.8
159.11298	2.8
161.45500	0.7
164.07072	12.2
166.08653	5.9
169.09689	1.4
170.08090	5.4
176.07071	0.8
182.08131	10.8
185.09218	8.7
187.10739	4.5
188.12784	4.7
194.08136	7.0
200.09181	9.4
203.10236	1.8
211.10893	1.0
212.09193	12.9
229.11726	0.7
230.10251	24.8
231.10237	0.9
236.03091	0.8
252.13397	2.6
270.14478	8.7
271.12854	2.0
273.93881	0.8
288.15720	0.7
296.16089	3.0
297.82495	0.8
301.17648	2.2
314.12387	11.6
314.17072	61.4
315.15363	5.2
332.13464	18.4
332.18127	100.0
333.20438	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	332.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
54.78423	0.8
55.01876	9.7
55.05506	1.6
56.05028	1.1
56.96574	7.8
57.03435	4.6
59.06105	1.5
61.02928	9.4
63.38407	0.8
65.03941	1.7
67.04275	0.7
67.05491	4.9
68.05025	3.4
69.03436	11.4
69.07054	1.4
69.74944	0.7
69.75294	5.3
70.06578	2.0
70.98139	1.2
71.01349	0.9
71.05002	6.5
71.06101	1.3
72.04500	1.7
72.08144	1.2
73.02930	6.9
79.05512	2.0
80.05019	1.0
81.03426	4.3
81.07059	0.8
82.06591	2.1
84.04491	1.5
84.08139	3.9
85.02911	20.6
85.06537	3.4
86.06057	4.8
87.04464	2.9
91.03941	1.5
95.04984	1.9
96.04505	6.2
96.08150	2.2
97.02913	8.5
97.07700	1.1
98.06070	1.2
98.09726	0.9
98.20738	1.4
98.97591	10.8
99.04468	1.4
99.05536	1.5
100.03982	7.4
101.00878	0.9
102.05556	5.5
103.02316	0.9
103.08707	11.2
106.06559	4.7
108.08125	100.0
109.02882	2.5
109.08441	1.0
110.06043	5.6
110.97550	2.3
111.04420	1.9
111.51801	0.9
112.07618	34.5
112.99136	1.7
113.06022	5.9
113.07161	1.2
115.08712	1.3
116.98610	3.0
117.02008	1.0
119.01860	2.0
122.06020	3.0
123.06833	3.9
124.07608	16.4
124.95444	1.1
126.02572	1.1
127.03952	4.3
128.07103	11.3
128.98615	1.9
130.08653	10.5
133.03410	0.9
134.06021	11.1
136.07581	15.2
138.05537	7.0
139.08664	1.2
140.07040	2.5
140.08144	1.4
141.06616	3.6
143.00131	1.2
143.08107	1.3
145.03407	1.3
145.04987	1.7
146.08144	1.3
148.07523	1.5
150.01779	2.5
152.07080	72.0
154.08650	2.6
156.98082	0.9
157.09709	3.7
158.99678	3.5
159.11259	2.2
160.02145	1.1
161.01070	0.9
161.05624	1.9
162.03680	1.4
164.07069	6.0
165.10219	1.0
166.08647	3.0
169.04512	1.0
170.06091	1.8
170.08113	8.8
171.04158	2.0
173.01318	1.0
174.11256	1.6
174.99203	1.2
178.04973	1.6
182.08150	5.9
184.04958	1.7
185.09253	5.4
187.10855	2.0
188.12842	9.6
189.00705	1.3
191.02151	0.9
193.00238	1.0
194.08185	4.7
200.09200	6.4
201.00720	1.0
203.10262	1.8
205.01756	1.6
205.03705	1.2
212.09142	9.8
219.01790	2.3
219.07227	2.0
220.04243	1.9
226.02423	1.7
229.04594	1.4
229.11827	1.2
230.10263	18.1
236.07335	1.3
237.02847	2.2
242.07437	1.0
243.06180	1.1
251.04434	1.0
251.08000	3.3
252.06645	1.2
252.13443	3.0
269.05490	1.3
270.14572	5.6
271.12924	1.0
296.15942	2.5
314.12335	37.7
314.17081	43.1
315.12308	1.2
315.15527	4.3
321.10303	2.5
332.13422	52.8
332.18130	70.6
333.10968	0.9
333.20041	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	332.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
56.96561	2.6
58.37323	1.3
60.04524	1.7
62.93890	1.2
63.75489	1.3
70.02002	6.5
78.04712	6.0
79.05065	2.2
79.05494	5.7
80.05820	2.2
81.07059	1.3
95.04961	1.2
98.97547	1.7
98.98470	12.0
105.03395	5.7
106.04284	9.1
106.42388	1.3
107.04498	5.5
107.08546	1.8
108.05287	1.8
108.08113	4.6
123.04443	3.5
124.05269	2.1
125.05561	2.3
127.72710	1.4
134.03638	15.4
135.03925	12.0
136.04724	2.1
136.07526	1.5
137.05981	1.9
138.03127	16.9
139.03467	11.3
140.07916	1.8
151.03917	2.5
152.04721	16.1
152.07056	2.9
153.05487	100.0
154.05806	75.0
154.07094	3.0
155.76096	1.6
167.07051	99.3
168.07387	96.8
177.05435	1.9
178.05746	2.3
179.06961	1.5
191.06888	1.8
192.07355	2.5
199.07306	1.5
208.06830	1.6
227.06636	1.6
228.06990	2.8
229.07452	1.7
240.07156	2.3
244.09575	1.3
254.60667	1.3
257.07465	2.1
260.05225	1.9
270.08243	2.8
271.08432	1.8
272.09097	4.3
276.08395	1.6
286.07822	1.8
299.08896	2.0
300.09488	11.1
302.07303	2.1
316.08063	2.3
332.08362	2.0
332.11191	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03941	0.7
55.01861	2.0
56.96558	1.0
57.03434	2.2
61.02925	1.5
65.03918	0.7
67.05508	3.9
68.05051	0.8
69.03436	6.7
70.14942	1.1
70.15320	1.0
71.04971	0.6
73.02910	3.4
79.05495	1.7
81.03407	2.0
81.07062	0.8
82.06596	1.1
84.04511	1.1
84.08118	0.9
85.02913	11.0
86.06071	0.9
87.04460	1.1
91.03956	0.5
92.04988	0.7
93.05775	1.2
96.04491	5.9
96.08167	0.7
97.02908	3.5
98.97578	2.3
99.04484	0.8
99.05526	0.6
100.03987	1.5
102.05559	4.1
103.08727	2.7
106.06570	4.3
108.08121	100.0
109.02910	1.0
109.08439	0.8
110.06031	4.3
111.04436	0.7
112.07616	4.0
113.06009	0.7
116.49816	0.6
122.06026	3.6
123.06815	3.3
124.07593	17.4
127.03930	1.2
128.07082	11.2
130.08659	1.6
134.06015	11.9
134.06976	0.9
136.07590	14.3
138.05496	7.7
140.07079	0.9
141.06633	0.7
143.08189	1.3
146.08128	1.2
150.05464	0.6
152.07072	65.3
153.07512	0.6
154.08629	1.5
158.99820	0.6
159.11325	1.7
161.04590	0.6
164.07077	7.2
166.08684	1.2
170.05229	1.8
170.08131	7.1
182.08144	5.0
187.10785	3.2
194.08199	1.3
200.09280	1.2
205.05489	1.0
205.55670	1.3
212.09200	3.8
214.56219	1.0
219.01854	0.5
230.10225	12.0
237.02948	0.7
242.07394	0.9
251.07948	1.0
261.85446	0.5
265.59677	0.8
271.12878	1.6
314.09476	0.5
314.12372	37.3
314.17059	6.3
315.15613	3.8
332.13425	49.5
332.18155	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	331.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48478	1.4
55.05515	6.9
56.96554	1.4
57.03436	3.8
57.07082	68.4
58.07409	2.3
67.05507	17.9
68.99773	1.7
69.07082	11.8
69.68396	1.3
70.06605	9.0
71.04993	2.6
71.06944	2.9
71.08637	46.9
75.04445	1.5
79.05482	3.5
81.07063	24.2
83.08624	15.1
85.06546	1.7
85.10183	26.2
88.07643	12.1
89.07942	3.1
91.05493	2.5
93.07037	2.6
95.05014	2.3
95.08044	2.4
95.08617	37.3
97.10165	8.1
98.98476	100.0
100.98864	2.2
102.09187	4.4
104.99316	1.3
105.07043	3.0
106.08651	6.8
107.08535	2.1
109.10176	19.3
111.11731	1.9
116.99547	2.7
119.08580	3.7
121.14618	1.5
123.11703	6.3
124.78311	1.6
127.03928	3.8
133.10063	1.9
135.04440	3.7
137.05954	1.9
137.13254	4.3
139.03931	1.8
151.03918	16.5
151.07591	1.5
151.14828	1.5
153.05545	2.8
159.11804	2.0
165.01801	2.7
165.05508	7.4
169.93687	1.6
169.99350	1.6
174.99239	3.4
176.98927	8.4
178.99863	2.2
192.00700	2.1
239.23732	9.5
257.24765	4.4
266.01306	1.4
291.52319	1.5
313.07108	4.3
313.21744	2.0
313.27390	35.3
313.33035	6.0
316.05685	2.2
331.08057	5.4
331.22961	2.7
331.34027	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07752	1.2
56.96564	4.4
57.03721	1.1
57.07071	1.1
64.13297	1.0
67.05514	1.4
69.07092	2.6
71.55670	1.5
71.56068	1.3
76.00176	0.9
79.05500	1.7
81.07087	2.0
87.04490	1.2
91.05490	3.0
93.07047	2.6
93.60863	1.1
95.04985	1.2
95.08618	2.4
98.98473	100.0
99.53416	1.0
100.98905	2.5
105.07056	2.9
107.08600	1.4
109.10139	1.9
116.81577	1.2
116.99559	1.8
119.08617	1.9
121.10154	1.5
127.03922	5.3
128.98668	1.7
131.08644	1.2
135.11693	1.1
137.05980	2.1
138.03134	1.6
139.04001	1.1
145.52975	1.1
149.09700	1.1
153.05455	8.0
159.11810	1.2
167.07088	2.9
169.04994	1.1
173.80876	1.1
174.99318	4.5
176.98912	7.2
199.06464	1.8
200.52771	1.1
208.07495	1.4
226.57108	1.3
273.04105	1.1
303.12384	1.2
313.17877	3.9
316.06088	2.0
331.07889	10.0
331.16068	2.2
331.18921	48.4
331.22678	4.9
331.30249	1.5
331.34076	3.7
349.16852	17.5
349.20667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05519	12.9
57.03431	7.1
57.07080	100.0
58.21462	2.7
67.05508	29.1
69.07069	20.0
71.08638	68.1
75.04475	3.3
79.05499	3.1
81.07059	33.8
83.08630	20.4
85.10191	38.0
88.07655	4.7
95.08042	4.5
95.08614	57.1
97.10196	14.3
98.98477	38.1
99.11732	5.5
101.54243	2.6
109.10169	27.9
111.11736	4.0
123.11736	13.8
125.13246	3.9
151.14822	2.5
165.16431	3.0
239.23711	13.2
257.24789	6.4
268.38617	2.6
299.08142	2.7
313.27383	59.8
322.38947	2.5
331.10870	9.0
331.34012	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	331.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07752	1.2
56.96564	4.4
57.03721	1.1
57.07071	1.1
64.13297	1.0
67.05514	1.4
69.07092	2.6
71.55670	1.5
71.56068	1.3
76.00176	0.9
79.05500	1.7
81.07087	2.0
87.04490	1.2
91.05490	3.0
93.07047	2.6
93.60863	1.1
95.04985	1.2
95.08618	2.4
98.98473	100.0
99.53416	1.0
100.98905	2.5
105.07056	2.9
107.08600	1.4
109.10139	1.9
116.81577	1.2
116.99559	1.8
119.08617	1.9
121.10154	1.5
127.03922	5.3
128.98668	1.7
131.08644	1.2
135.11693	1.1
137.05980	2.1
138.03134	1.6
139.04001	1.1
145.52975	1.1
149.09700	1.1
153.05455	8.0
159.11810	1.2
167.07088	2.9
169.04994	1.1
173.80876	1.1
174.99318	4.5
176.98912	7.2
199.06464	1.8
200.52771	1.1
208.07495	1.4
226.57108	1.3
273.04105	1.1
303.12384	1.2
313.17877	3.9
316.06088	2.0
331.07889	10.0
331.16068	2.2
331.18921	48.4
331.22678	4.9
331.30249	1.5
331.34076	3.7
349.16852	17.5
349.20667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56161	0.7
55.01870	0.9
55.05500	2.3
56.12582	0.6
57.03429	0.7
63.08990	0.7
67.05483	2.1
68.99809	0.9
69.03423	2.2
69.07054	1.3
70.06592	1.6
72.08158	7.2
73.08484	1.9
79.05484	2.2
80.39684	0.7
81.07040	1.1
83.08610	1.1
84.08125	1.4
85.02893	1.9
86.09698	1.6
91.05477	2.1
93.07020	1.1
94.04138	0.8
95.04976	1.7
95.08591	1.1
97.02917	0.8
98.98472	44.1
100.98881	1.2
101.05983	1.0
107.05019	1.0
107.08606	1.5
108.08106	1.2
109.02917	1.0
109.06525	1.1
109.10139	1.2
112.65327	0.8
115.05471	0.7
119.04945	1.6
121.02861	1.0
127.03937	1.8
128.06245	1.2
135.04408	2.2
137.02321	1.1
137.05989	2.5
141.10237	1.3
144.05641	0.9
147.04413	5.0
149.02289	0.7
151.07530	1.1
151.08655	1.1
153.05455	0.9
155.08414	1.0
161.02426	1.2
162.05501	4.9
163.03853	0.8
167.03400	2.3
169.06467	0.8
169.09755	1.2
171.08087	0.9
171.14897	0.8
172.15292	1.6
174.99207	1.5
175.03914	12.7
176.98936	3.2
181.06506	1.2
184.05180	3.9
187.07521	1.3
193.04968	16.3
197.06015	1.1
200.04665	5.4
200.14807	0.8
201.05476	1.7
203.03398	10.1
206.02098	2.6
211.03920	7.6
212.04639	1.6
213.05406	1.2
215.07053	0.9
224.03168	3.1
227.03493	1.1
227.07030	13.8
228.04147	3.4
229.04979	2.5
229.12860	1.3
239.03389	2.6
239.08163	1.7
240.04208	0.8
243.06546	13.9
255.06552	0.9
256.07324	1.0
267.07813	4.0
270.05362	1.4
271.06046	35.3
273.04068	1.0
284.03140	1.0
285.08582	2.3
285.11591	0.9
299.05518	11.5
301.03400	1.0
313.08014	2.4
313.11713	2.7
316.05728	3.3
316.08981	1.6
331.08221	53.4
331.12564	4.2
331.17252	100.0
332.17657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1179
Annotation	Odoricarpan
Peak:m/z	Relative Intensity
53.03941	0.4
53.19047	0.3
55.05507	0.7
56.96580	0.4
59.31942	0.3
65.03931	0.5
67.05495	0.9
68.99783	0.5
69.07043	0.6
69.80783	1.0
69.81201	0.7
79.05508	4.5
81.03403	0.4
81.07076	2.4
82.04199	1.2
83.28555	0.3
85.06536	0.3
86.24838	0.3
91.05469	1.2
93.03415	0.4
93.07049	0.8
95.04987	1.8
95.08591	0.4
96.05748	0.6
97.06528	0.5
98.98475	9.6
105.03403	0.4
105.07037	0.8
106.83192	0.3
107.04961	3.7
107.08591	0.5
109.02886	1.4
109.06526	1.4
109.10107	0.5
110.03656	2.3
110.77190	0.3
111.04491	0.4
111.08091	1.2
117.07001	0.5
119.08590	0.9
120.02102	0.4
121.06509	0.4
121.10155	0.4
123.04424	1.2
124.05238	2.6
125.06036	1.6
127.03934	0.4
131.08600	0.7
133.02853	0.4
133.10309	0.3
135.04428	6.1
137.02318	0.4
137.05969	1.0
138.03131	24.5
139.07555	9.4
145.10158	0.8
147.04453	0.8
147.11813	0.3
148.05170	0.4
149.09587	0.3
151.03963	0.5
151.07581	0.5
153.05479	100.0
154.05984	0.6
157.10233	0.3
159.11703	1.0
162.03142	0.5
163.03911	2.9
167.07057	30.1
168.07816	0.5
169.08655	0.4
174.99263	0.5
176.98869	0.7
177.05493	1.0
178.06242	0.3
179.07086	0.6
181.08525	0.5
191.03423	2.5
191.07039	2.5
193.04939	0.7
193.08643	0.8
194.09413	0.4
197.06018	0.5
197.13217	0.3
212.08594	0.4
239.07098	0.6
241.04990	0.4
243.10172	0.4
245.04514	1.3
256.03806	0.4
256.07278	0.4
269.04230	0.4
271.06381	0.4
271.09735	0.6
273.03952	1.4
284.03204	0.4
285.07523	0.4
287.05612	0.9
299.05701	0.6
299.09186	1.6
300.09839	0.3
301.03537	1.1
303.12350	1.4
313.10913	0.4
315.04935	1.0
316.05765	3.9
331.08136	11.7
331.11847	4.1
331.15295	0.5
331.18939	0.5
331.22675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01865	1.4
55.05515	2.3
56.96564	2.5
57.03436	1.1
57.07063	0.9
64.21373	0.8
65.03944	1.9
67.01864	0.8
67.05505	5.2
68.05027	1.2
69.03423	2.3
69.07078	6.1
70.06589	3.0
71.05001	1.7
71.08620	0.8
71.55855	1.1
72.08147	3.8
74.06092	1.2
79.05494	3.3
80.05025	1.3
81.07049	3.5
82.06577	1.1
83.04977	2.1
84.01268	0.9
84.04504	1.8
84.08141	4.7
85.02900	3.1
86.09710	4.9
89.03925	1.3
91.05487	3.7
93.05795	1.0
93.07059	2.8
94.06579	16.4
95.04977	2.5
95.08584	1.5
96.04469	1.7
96.08125	1.0
97.02881	1.6
97.06538	1.7
98.98473	60.6
99.08148	1.0
100.98908	1.6
105.07007	1.4
107.08595	2.3
108.08122	2.7
109.10172	1.0
110.06013	5.3
112.07614	1.8
116.04984	3.3
116.99486	1.5
118.06579	1.7
120.04487	7.3
120.08113	1.0
121.06475	1.9
122.05141	1.9
122.06033	28.2
123.04456	2.2
124.07589	3.0
126.11932	0.9
127.03954	4.0
128.07140	1.2
129.10226	1.5
130.06569	0.9
134.06061	1.2
136.07552	1.1
137.05995	1.6
139.07526	0.9
140.07066	41.7
141.05565	1.0
141.07817	3.1
141.10211	3.3
144.04471	7.3
146.06038	17.1
148.03911	1.7
148.07565	7.7
151.03893	0.9
151.07570	1.4
152.07101	1.0
161.05927	0.9
162.05630	4.4
169.05045	3.1
169.06770	1.4
169.09816	1.9
172.03952	28.4
173.12924	1.9
174.05487	2.3
174.99246	1.1
176.98991	4.3
181.05014	1.3
181.08556	1.0
190.05005	100.0
192.06552	9.3
193.04921	1.5
224.10834	1.1
235.06042	1.5
239.11836	1.4
242.11868	1.1
246.04419	3.0
247.06140	1.3
257.09268	1.1
257.33054	1.0
267.11078	1.3
271.10504	1.0
285.12338	1.7
286.10748	2.4
303.13400	1.8
308.04333	0.9
313.11890	7.6
316.05792	1.1
331.08282	2.8
331.13092	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1177
Annotation	5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone
Peak:m/z	Relative Intensity
53.03944	1.6
55.01872	1.1
56.96563	0.9
65.03939	2.1
70.89996	2.0
77.03937	2.1
78.04711	1.4
79.05489	3.8
81.07047	1.1
85.31259	0.9
89.19564	0.9
91.05488	9.0
94.04201	1.5
95.04974	2.2
98.98464	9.8
103.05473	2.6
105.03391	4.0
105.07008	5.0
107.04951	6.5
109.06510	4.2
111.04447	9.6
119.04939	8.9
119.45061	0.8
121.06506	25.8
123.04445	1.4
124.05247	2.4
125.05978	2.3
133.02855	100.0
135.04407	2.2
135.08054	7.9
136.05104	1.1
136.26653	0.9
137.05983	39.6
139.03891	1.0
139.07538	9.7
147.04419	7.8
149.05991	17.5
149.07088	1.3
150.03113	3.6
151.03931	1.6
151.07549	45.4
152.01060	17.5
152.04657	1.5
153.05479	4.5
159.04430	1.6
161.05882	1.4
162.03140	5.6
163.07558	13.9
164.08345	9.0
165.05499	20.1
165.06868	1.5
165.09097	2.2
167.03410	42.9
167.07047	26.7
170.02124	2.7
177.05453	14.1
178.02625	1.8
179.07031	8.5
182.07242	1.3
183.08150	1.6
185.06013	1.0
188.08296	1.7
189.09122	3.0
191.07007	2.4
193.04976	72.0
196.05177	2.0
197.06013	1.6
199.07578	1.2
200.08243	1.1
203.06947	1.8
211.07475	7.5
212.08246	2.1
213.05344	1.3
215.10684	2.0
225.09119	4.1
227.06815	1.9
228.07813	3.2
229.08658	1.6
239.07011	10.4
240.07838	2.0
241.04834	1.0
243.10194	13.8
245.07951	1.2
253.08582	2.5
255.06718	1.7
256.07220	2.7
257.08096	3.0
267.06543	1.1
270.08768	1.0
271.09647	14.3
272.10416	1.9
281.08322	1.4
285.11111	1.8
288.09866	5.0
298.08353	2.3
299.09082	6.2
303.12271	98.6
304.12643	1.5
313.10779	8.4
316.05573	1.2
331.08536	2.2
331.11743	63.4
332.12045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1177
Annotation	5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone
Peak:m/z	Relative Intensity
53.03942	2.7
55.01859	1.5
57.71701	1.0
59.68585	1.0
65.03932	2.2
66.03852	0.9
69.66973	7.3
78.04709	1.8
79.05483	2.7
83.04980	1.1
89.03945	1.3
91.05479	7.5
93.07024	1.2
94.04169	1.6
94.41692	1.0
95.04975	2.3
98.20832	2.0
98.98480	12.1
103.05464	4.7
105.03407	4.0
105.07021	4.6
107.04942	5.1
108.18606	0.9
109.06522	4.4
111.04469	8.2
119.04935	9.2
121.06517	25.1
123.04488	1.4
124.05206	3.1
125.05977	1.1
133.02859	97.6
135.04445	2.6
135.08070	8.3
137.05975	38.9
138.06822	1.3
139.03944	1.5
139.07539	11.9
144.03897	1.1
147.04439	10.6
148.05122	1.4
149.05988	16.5
149.07098	1.9
150.03133	4.3
151.03957	1.2
151.07552	48.8
151.99774	1.7
152.01025	15.1
152.07903	1.4
153.05476	3.5
161.06050	1.2
162.03098	5.5
163.07545	13.2
164.08337	8.9
165.05493	19.7
165.06886	2.1
165.09161	1.3
167.03412	41.3
167.07054	27.0
168.05751	1.2
170.02101	3.3
177.05486	15.0
178.02623	2.7
179.07031	10.4
179.63727	1.1
183.08034	1.7
188.08270	2.0
189.09111	4.7
191.07045	1.6
193.04970	74.4
194.05325	1.1
196.05272	2.0
197.05931	1.2
201.09122	1.9
208.04567	1.0
208.07303	1.3
211.07558	9.2
212.08334	3.6
213.05441	2.2
213.49138	1.1
215.23611	1.1
225.09111	4.0
227.07031	2.9
228.07799	3.5
229.08621	2.9
238.06378	1.3
239.07011	13.6
240.07767	2.2
243.10135	13.5
245.08064	2.5
253.08643	2.5
256.07440	2.6
257.08139	3.3
271.09650	13.7
272.10507	1.7
273.07419	1.3
285.11215	2.1
288.09921	4.6
298.08438	2.6
299.09204	4.9
303.12274	100.0
313.10718	9.2
331.11728	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1025
Annotation	Pseudolaroside B
Peak:m/z	Relative Intensity
53.03926	0.7
55.01869	0.6
55.05496	1.3
56.05025	1.0
56.96575	1.2
57.03439	1.1
58.06584	0.6
61.02904	0.8
67.01884	0.6
67.05505	2.5
69.03428	2.7
69.06702	0.5
69.07063	1.7
70.06599	2.7
70.27841	1.1
70.28235	1.3
71.08633	0.9
72.08159	12.0
73.02915	0.6
77.90978	0.5
79.05494	1.0
81.03434	1.3
81.07041	1.3
82.06576	1.8
83.04961	1.1
84.08147	12.0
85.02908	4.8
85.04022	1.1
85.06535	1.1
86.06098	0.7
86.09711	4.5
91.05484	1.1
93.07059	0.9
94.06556	1.1
95.04948	3.2
96.08143	0.5
97.02880	2.0
97.06540	0.6
98.09699	3.7
98.98472	58.9
100.98893	1.3
102.09221	1.3
105.06969	0.5
106.02940	0.9
107.03249	1.0
107.05017	0.6
107.08609	0.7
108.08111	2.4
109.02878	1.4
109.06524	1.6
109.10163	0.6
110.09708	0.6
111.04454	0.7
112.07613	1.7
113.03517	1.0
113.06021	0.8
116.98685	1.0
116.99493	1.2
117.15993	0.6
118.06559	0.6
120.08080	0.6
121.06453	0.7
122.02367	0.8
122.06050	1.1
122.09628	0.9
123.04444	7.4
123.05388	1.1
124.03948	2.2
124.07599	1.8
125.01038	0.6
125.03465	1.3
125.04308	2.0
127.03942	5.1
129.10254	5.5
130.06531	7.3
132.04465	0.6
136.07568	1.2
136.11180	0.7
137.03485	0.9
137.06012	1.2
138.05609	0.5
138.09090	0.6
139.08655	1.3
140.07088	1.2
140.10748	0.7
141.10196	0.9
142.08739	0.6
145.04926	1.0
146.06004	1.6
147.09204	0.8
151.03914	16.3
151.07578	0.7
151.08656	3.5
151.11195	1.4
152.03392	2.6
152.07137	2.6
154.08691	0.8
157.06348	1.1
157.07616	15.2
158.06058	1.5
158.11783	14.0
159.09250	1.3
162.05428	0.5
164.10727	1.0
167.08197	1.8
168.06639	0.7
169.04971	100.0
169.09715	3.2
170.05312	0.8
170.08015	0.8
174.99231	1.9
175.08676	2.0
176.98962	4.7
181.04950	0.9
181.09773	1.2
182.10411	0.8
182.11818	1.5
185.07123	2.1
186.10382	0.7
190.04990	1.7
193.05014	1.3
200.12836	1.3
202.09772	1.0
211.05876	0.9
218.13876	1.5
235.06021	0.6
247.06073	0.9
252.99823	0.9
268.14383	0.7
295.06589	0.7
296.13983	2.7
298.44476	0.5
299.09183	0.6
313.16559	16.3
313.21048	1.5
314.08853	1.1
314.12091	0.7
314.15067	5.3
331.09549	2.1
331.13644	5.8
331.17807	6.7
331.22281	31.9
332.09714	0.6
332.13330	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	331.0816
Annotation	Morelosin
Peak:m/z	Relative Intensity
51.75204	0.5
53.03951	0.7
55.01877	1.1
55.05500	1.7
57.07072	0.6
60.04514	1.8
67.05511	0.7
69.03426	1.5
69.07079	0.7
69.37157	4.0
69.37555	1.0
71.04978	0.6
76.62817	0.5
79.05489	1.1
81.03407	1.3
81.07054	1.3
85.02889	0.9
85.73117	0.6
90.14432	0.5
91.05470	1.9
93.07026	1.1
95.05030	0.5
95.08582	1.7
97.02877	1.3
98.97565	0.7
98.98470	16.2
105.06993	0.9
109.10143	0.7
111.08073	0.8
113.09613	0.6
115.05476	0.6
119.04908	0.9
121.06494	1.1
123.00823	0.6
123.08094	0.6
124.01617	0.6
127.03938	1.3
128.06206	0.6
135.08130	0.7
137.02332	2.6
137.05939	1.1
138.03113	0.9
149.02400	2.0
150.03125	4.5
151.03923	1.2
151.07634	0.7
152.01056	4.4
153.01830	3.8
153.05490	0.6
155.06024	1.3
161.02333	2.9
163.56519	0.5
164.04671	1.9
166.02620	0.9
167.03426	7.9
168.05707	0.6
169.07629	2.1
170.02156	0.8
172.05164	0.7
175.03886	1.1
176.98987	1.4
179.06079	1.9
183.05643	1.1
184.05177	1.3
185.07248	0.6
185.50092	0.6
191.03416	1.0
193.07631	1.5
195.05548	4.0
199.04062	0.7
200.04674	2.3
207.05481	0.7
209.11714	0.7
211.03897	0.8
212.04720	1.4
213.05157	0.8
213.06847	1.2
214.06190	1.0
217.04944	1.6
221.07108	1.8
224.04747	0.7
225.06546	1.8
226.06158	0.6
227.03362	2.4
227.07002	0.9
228.04187	7.2
229.06125	1.6
239.03362	3.4
239.08203	2.1
242.05713	4.7
243.06522	3.6
255.02908	2.2
255.06224	0.7
256.03699	3.3
259.68643	0.6
267.02948	1.0
267.07672	2.1
268.03702	1.0
270.05319	6.4
271.06424	5.2
273.03940	1.4
275.09079	1.5
277.06042	1.4
282.05225	1.2
283.02371	0.6
283.05820	0.7
284.03110	4.0
285.08371	7.3
295.07263	3.2
297.03677	0.8
298.04721	2.9
299.05515	5.3
301.03302	2.8
313.08188	14.2
316.05786	27.3
331.08151	100.0
332.08490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0814
Annotation	6-Hydroxykaempferol 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
68.99787	1.0
71.01767	1.3
71.02123	0.6
93.04141	0.6
98.98470	3.7
101.06762	0.6
105.03409	0.5
107.04982	0.6
131.04944	1.2
132.92166	0.6
133.02899	0.7
134.03589	0.7
148.05119	0.6
149.05896	0.7
168.00551	2.3
169.01294	0.8
185.00764	0.9
186.01608	0.7
194.02084	1.3
217.04922	0.8
226.35350	0.5
229.04939	0.8
241.05000	0.7
242.05965	0.8
245.04475	21.3
255.02855	0.9
256.03671	1.5
257.04459	0.6
270.05267	1.6
271.06033	1.2
273.03970	21.4
280.92233	0.5
284.03268	0.9
285.03870	0.7
287.05472	2.9
297.04041	0.7
298.04785	3.3
299.05502	1.5
301.03464	18.7
315.04950	5.6
316.05795	51.5
317.06079	1.0
331.08136	100.0
332.08554	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	331.0816
Annotation	Jaceosidin
Peak:m/z	Relative Intensity
50.38501	0.2
53.03936	0.2
56.96558	0.5
62.46114	0.2
67.05489	0.3
69.03393	0.3
71.04975	0.2
71.58456	0.4
75.59560	0.2
81.03409	0.5
81.07030	0.3
83.04965	0.3
85.02898	0.2
91.05467	0.2
92.02646	0.3
93.03399	0.3
95.04972	0.4
95.08537	0.3
97.02872	0.7
98.97575	0.3
98.97797	0.3
98.98466	3.8
105.03371	0.2
105.06969	0.3
111.04443	0.2
115.05423	0.3
118.04175	0.3
119.04943	0.8
123.00800	0.6
123.04444	1.4
124.01574	0.6
124.21222	0.2
125.02345	0.3
128.98608	0.3
129.06981	0.2
133.02849	0.6
134.03604	0.3
135.04407	0.7
137.02345	1.4
137.05943	0.4
138.03127	0.9
139.03897	0.4
144.05676	0.4
147.04398	0.4
149.02325	2.2
150.03128	5.7
151.00185	0.4
151.03873	0.7
151.89667	0.2
152.01059	5.3
153.00696	0.3
153.01842	3.9
153.06845	0.3
155.06000	0.3
157.06503	0.3
161.02348	3.3
161.06061	0.2
163.03850	0.2
164.04692	3.0
166.02644	1.1
167.03410	10.4
167.07104	0.7
168.05688	0.6
169.06406	0.2
169.07674	0.3
169.09802	0.2
170.02094	1.1
171.04446	0.8
172.05157	0.7
175.03899	0.9
176.98999	0.2
179.03297	0.4
179.05865	0.2
181.06392	0.3
182.07132	0.5
183.04407	0.6
184.05161	0.6
185.05867	0.3
186.06750	0.8
191.03366	1.2
193.07709	0.2
195.05569	0.5
196.05179	0.6
197.05916	0.7
199.03850	1.1
199.07471	0.2
200.04655	1.6
203.07027	0.2
205.04852	0.2
208.05238	0.7
209.05559	2.3
209.50719	0.2
210.06723	0.5
211.03944	0.9
211.07390	0.3
212.04556	0.7
213.05209	1.1
214.06213	0.9
215.06978	0.2
216.04265	0.3
217.04947	1.7
221.07181	0.3
224.04684	0.5
225.05405	0.3
226.06102	0.4
227.03360	1.0
227.06985	0.4
228.04193	6.8
229.04817	0.4
231.06508	0.5
236.22478	0.2
237.05057	0.6
238.02681	0.3
238.06343	0.4
239.03374	1.5
239.08128	0.3
240.04189	0.5
241.04968	1.6
242.05742	5.5
243.06516	2.4
245.04442	1.3
252.04251	0.4
253.05084	0.4
254.05762	0.9
255.02855	2.2
255.06177	0.7
256.03683	3.3
257.04504	0.6
257.08035	0.5
258.04922	0.8
259.05969	0.3
267.02954	0.5
268.03574	0.9
269.04437	0.3
269.08160	0.3
270.05222	7.7
270.08401	2.1
271.06036	4.7
271.09628	1.5
272.06638	0.3
273.04004	0.9
273.07016	0.2
275.09152	1.1
282.05206	1.2
283.02271	0.8
283.05673	0.8
284.03137	3.1
285.07532	4.1
286.08194	0.3
287.05475	0.3
288.06299	0.4
295.07199	0.6
298.04776	2.9
299.05463	2.7
299.09064	0.8
300.06100	0.3
301.03336	1.0
301.06796	0.6
310.08859	0.7
313.07846	3.8
315.05054	0.5
315.08554	0.4
316.05798	28.9
316.09052	4.9
317.05954	0.3
331.08118	100.0
331.11362	5.1
332.08502	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0813
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
54.14402	0.2
56.53796	0.2
68.99794	1.5
70.79915	0.6
77.87912	0.3
90.04700	1.8
98.98483	2.7
99.00797	0.3
118.04182	0.9
119.04942	0.3
119.08657	0.3
124.95122	0.3
130.04131	0.6
131.04913	1.1
133.02937	0.3
135.04417	1.1
137.02364	0.3
137.06009	0.3
139.00267	2.2
144.05725	0.5
144.15498	0.3
145.02881	0.5
148.05203	0.5
149.05994	0.4
153.01857	0.7
155.04935	0.3
157.69298	0.3
158.03619	0.9
159.04402	0.7
160.05176	0.2
166.31650	0.3
166.99727	1.4
168.00594	1.6
169.01276	0.3
172.05225	0.5
175.03899	0.8
183.02902	0.8
183.04433	0.5
185.00792	1.7
186.01602	0.8
186.03140	0.4
187.03896	0.4
199.03934	1.2
200.04628	0.7
201.05470	1.2
203.03439	0.4
211.03851	0.6
214.06255	0.5
217.05005	1.5
227.03426	0.8
228.04190	4.5
229.04964	0.8
239.03409	0.4
241.05066	0.5
242.05754	0.9
243.06595	0.7
245.04442	3.3
255.02948	1.4
256.03680	9.9
257.04465	8.5
259.06021	0.7
260.06778	0.8
267.02765	0.4
269.04471	0.5
270.05469	0.7
271.06030	5.7
273.03949	8.0
283.02377	0.8
284.03180	9.3
285.03937	9.3
288.06302	1.1
297.03983	0.4
298.04654	2.2
299.05542	5.0
301.03430	7.0
301.06729	0.5
316.05783	48.3
317.06107	0.5
323.44894	0.3
331.08121	100.0
332.08395	1.5
349.16885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0813
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03943	0.4
55.01872	0.8
55.05505	0.5
56.38895	0.4
67.05504	0.8
68.47499	0.5
68.99796	1.3
69.07072	1.1
69.37220	4.1
79.05479	1.9
81.07064	4.7
83.04993	0.7
91.05492	2.8
93.07022	1.1
95.04967	1.0
97.06527	0.9
98.98466	20.5
99.46923	0.6
105.07015	1.4
107.04958	0.7
107.08614	0.6
109.06521	0.7
116.06228	0.8
119.04944	2.1
119.08587	1.2
121.02864	0.7
121.06506	1.6
123.04409	1.2
131.08589	0.9
133.02875	0.9
133.10054	0.5
135.04407	0.7
135.08055	0.8
137.02289	0.5
137.05957	0.8
141.06982	0.6
143.08565	0.6
144.05713	0.8
145.06525	0.5
147.04376	1.1
147.08031	0.7
147.11646	0.5
149.02347	9.4
149.06004	1.0
150.03246	0.5
151.03888	3.0
152.01038	0.7
153.01830	23.4
153.05487	1.4
153.06946	0.4
159.11829	0.8
161.06009	1.5
162.03197	0.6
163.03900	0.8
164.04695	4.8
165.05492	0.7
167.03413	1.7
168.03737	0.9
169.03964	0.9
169.06422	0.5
171.04448	1.0
172.05180	0.8
174.99258	1.0
175.07538	1.2
176.98920	1.3
177.05476	6.1
179.03394	0.9
181.06453	0.7
185.06058	0.6
186.03079	0.8
189.01804	0.5
189.05437	0.7
191.03473	1.0
193.04968	1.1
197.05954	0.9
200.04654	3.1
201.05368	0.8
203.03418	1.7
203.07033	3.6
205.04970	7.4
206.05884	0.5
211.03816	0.8
213.05510	2.2
215.06969	1.3
217.05045	0.7
225.05649	0.6
227.03369	0.9
228.04189	14.2
229.04865	2.0
230.04723	2.2
231.02911	5.3
231.06500	4.5
239.03377	1.2
240.03952	1.3
241.05042	2.8
242.05774	3.2
243.06552	3.4
245.04402	1.4
245.07095	1.8
249.07584	2.5
253.04938	1.7
256.03693	8.9
257.04391	1.4
258.04306	1.1
268.03595	0.8
269.04361	0.8
270.05203	1.6
271.06027	16.1
271.09567	1.7
272.06558	0.6
273.03912	4.6
273.06598	2.4
283.02325	0.8
284.03101	5.1
285.04053	2.4
285.11145	0.6
286.03796	1.3
295.09659	0.9
298.04745	1.1
299.05481	8.3
300.05856	1.0
301.03351	22.5
301.06226	3.4
304.31320	0.5
313.10971	3.0
315.04752	0.8
316.05682	15.9
331.08026	100.0
331.11096	5.3
332.08344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05527	1.0
69.07076	1.4
77.60735	0.7
79.05506	0.8
91.05482	1.1
93.07016	0.8
98.98475	82.6
104.79343	0.7
105.07034	0.9
116.99544	0.9
131.08589	0.8
134.99072	0.8
135.04414	0.7
138.19824	0.7
151.03925	4.3
161.05984	2.2
164.04720	0.9
174.99248	5.9
176.98964	2.6
199.93675	0.8
203.06860	0.8
226.06259	2.4
228.95412	0.9
229.04948	1.5
252.99680	0.9
254.05708	1.1
269.08157	2.5
271.06113	1.8
283.05923	0.8
296.06912	0.8
297.07632	1.5
299.05432	3.5
313.06967	1.2
314.07846	2.6
329.06531	2.6
329.10190	20.0
329.20892	100.0
330.10550	1.0
330.21228	2.9
332.49438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0812
Annotation	(+)-Bisdechlorogeodin
Peak:m/z	Relative Intensity
65.03927	0.9
67.01879	0.6
67.05486	1.8
68.99782	2.8
70.11266	2.9
79.05485	2.1
81.03432	3.8
83.04977	3.8
83.29434	0.7
91.05473	1.6
95.04976	5.4
97.15874	0.6
98.20768	0.6
98.98468	12.4
107.04951	1.3
109.02898	1.1
111.00761	1.0
119.04947	2.3
121.02872	0.7
123.04431	36.1
133.02849	5.7
135.04437	6.3
137.02325	2.6
139.03938	2.0
147.04398	2.8
149.02386	4.4
151.03906	100.0
152.04688	9.5
153.01811	5.8
153.05484	1.4
161.05937	1.5
163.03902	10.4
165.05479	25.3
165.06883	1.3
177.05492	3.4
178.06256	12.1
179.03389	20.4
181.04932	1.9
185.05994	1.5
189.05470	1.1
201.50656	0.8
203.07164	0.8
207.06537	0.9
213.05507	2.0
241.04938	1.2
243.06511	3.1
245.08099	3.1
255.06639	1.3
258.04456	0.8
271.06049	2.9
273.07623	1.9
282.05273	0.8
303.08664	8.7
309.91696	0.7
313.07043	1.8
316.05084	1.5
331.08099	32.7
332.07965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.102
Annotation	6-Hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
51.42260	0.4
61.07067	0.4
70.63412	0.4
71.99942	0.4
76.79723	0.4
79.01786	0.4
81.07040	0.7
91.05470	0.9
95.04965	2.0
98.20705	1.1
98.98473	39.0
100.98868	0.5
101.29652	0.4
102.75978	0.5
105.07024	0.7
116.99541	0.7
119.04910	1.4
122.03612	0.4
123.93851	0.4
125.06023	1.0
129.28413	0.4
133.02821	0.5
135.04419	1.2
135.11668	0.4
148.05173	1.9
149.02388	0.8
149.06012	0.6
151.02722	0.9
151.03909	15.9
151.05122	0.8
151.07516	1.2
153.05489	0.7
155.04945	0.6
161.05980	1.1
163.03906	0.5
165.06987	0.6
167.04996	0.5
168.04318	0.6
168.05699	0.8
169.06543	0.4
170.07289	0.6
174.99245	3.0
176.04762	0.9
176.98935	0.9
178.79955	0.5
181.04958	2.2
181.06442	1.0
182.07314	1.5
183.04483	2.4
189.05475	0.6
193.86073	0.4
195.04518	0.7
197.05940	0.8
198.06775	7.1
201.05466	1.4
203.07040	1.1
205.05061	0.5
206.05609	0.5
210.06787	3.8
211.04002	0.5
211.07510	2.1
213.09209	1.0
215.07048	1.4
225.05605	3.2
225.09070	3.0
226.06256	21.2
227.06996	1.7
229.04961	1.4
238.06282	1.9
239.03342	1.0
239.07040	1.4
240.07692	1.1
241.08615	11.8
242.05743	0.8
243.06494	2.0
245.08290	0.4
252.99623	0.4
253.04977	1.1
253.08649	1.1
254.05772	7.7
255.06677	0.6
266.05881	0.6
267.06430	0.9
268.07309	3.9
269.08102	29.7
270.08572	0.6
271.06070	3.0
273.11328	0.7
279.06604	0.7
281.04611	0.5
281.08011	1.2
282.05222	4.5
283.05991	1.0
285.07559	2.0
295.05942	2.2
296.06738	1.6
297.07611	17.7
298.08206	1.6
299.05615	1.9
299.08997	0.5
301.10760	1.1
313.06958	3.3
314.07837	3.5
329.10208	100.0
330.10641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1021
Annotation	6-Hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
57.31332	0.4
67.05507	0.5
69.76150	1.8
74.40692	0.5
81.07006	0.5
93.07051	0.6
95.04966	1.3
95.08636	0.5
95.96365	0.4
98.21481	0.4
98.98470	16.1
99.13905	0.4
104.77449	0.4
106.04286	0.5
107.08550	0.6
109.10162	0.4
119.04945	1.8
122.03642	0.7
135.04425	1.0
141.07039	0.5
148.05188	1.9
149.05980	0.9
151.03902	13.6
151.07553	1.1
155.04892	0.7
161.05986	1.0
163.03938	1.1
164.04691	1.0
174.99245	1.3
175.04053	0.5
176.04692	1.0
176.98953	0.6
177.05397	0.5
181.04965	1.2
181.06453	0.7
182.07275	2.0
183.04433	1.6
189.05505	0.6
189.36491	0.4
195.08063	0.5
196.05164	0.8
198.06813	6.2
201.05472	1.6
203.07010	1.0
205.04955	1.0
206.05739	0.6
210.06790	3.6
211.03935	1.1
211.07574	1.8
213.09140	0.8
215.07072	1.0
221.08595	0.5
225.05453	3.7
225.09018	3.5
226.06265	20.1
227.06947	1.2
229.05009	1.4
238.06221	2.2
239.03398	1.1
239.07072	1.2
240.07852	1.6
241.08612	14.3
241.11049	1.0
242.05890	1.1
243.06474	1.7
253.04886	1.1
253.08600	1.0
254.05760	7.9
255.06575	1.3
255.10017	0.5
266.05701	0.8
267.06525	1.5
268.07291	3.1
269.08102	28.7
271.06107	2.4
273.11301	0.9
279.06366	0.9
281.08148	1.7
282.05176	4.3
283.06024	0.9
285.07587	1.7
295.06113	2.4
296.06741	1.2
297.07605	16.7
298.08179	0.8
299.05521	2.5
301.10638	1.0
313.07062	3.0
314.07928	3.1
322.35431	0.5
329.10208	100.0
330.10663	0.7
347.38409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1021
Annotation	2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one
Peak:m/z	Relative Intensity
51.31784	0.2
53.13748	0.2
57.66354	0.3
68.89473	0.2
69.80707	1.1
70.95549	0.2
72.49644	0.2
79.05490	0.7
81.03387	0.3
81.07047	0.4
82.42894	0.2
90.26974	0.3
91.05466	0.2
95.01337	0.4
95.04929	0.3
98.21456	0.3
98.98469	13.0
103.05484	0.4
105.07012	0.7
109.02933	0.2
109.06525	0.8
116.99545	0.3
123.00759	0.3
124.21640	0.2
125.02367	0.2
133.02855	6.6
133.06474	0.3
135.04413	1.0
135.08014	0.4
137.02371	0.5
137.05981	15.4
138.03145	1.4
148.05194	37.4
149.05975	0.5
151.03880	0.7
151.07497	0.3
153.05470	0.8
155.03384	0.3
161.05928	0.4
163.03909	2.8
165.05487	0.7
166.02597	1.6
167.03407	3.7
174.99289	1.6
176.98953	0.4
177.05478	0.7
184.03668	1.1
185.06065	0.3
189.05510	0.5
193.04968	1.9
196.17470	0.2
198.06746	0.3
211.03786	0.3
213.05499	0.6
213.09087	0.4
225.05432	0.4
226.06361	1.1
227.07054	0.7
231.06633	0.2
239.03516	0.4
241.04950	0.5
241.08623	1.1
241.55232	0.2
243.06548	1.9
245.08095	0.4
254.05676	1.5
255.06491	0.7
257.08145	0.9
267.06540	0.8
269.08151	1.3
270.08871	0.3
271.06018	3.3
273.11230	3.7
282.05212	3.9
283.05972	1.9
285.07556	1.2
286.08371	1.0
295.06052	0.5
296.06894	1.4
297.07571	8.9
298.08102	0.3
299.05478	1.9
299.08847	0.4
301.07028	1.8
301.10709	1.6
313.07071	6.5
314.07858	10.6
326.03967	0.3
329.06824	5.1
329.10193	100.0
330.10486	1.3
330.13895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1021
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
51.31321	0.3
58.54632	0.2
61.05617	0.3
63.44635	0.3
65.88357	0.3
69.65490	2.0
74.73743	0.3
85.98065	0.3
91.05452	0.6
94.23048	0.3
95.01344	0.3
95.04950	0.3
96.14484	0.3
96.55893	0.3
98.98470	14.9
99.04441	0.3
105.03426	0.3
112.82766	0.3
119.04954	0.3
125.02387	0.3
130.04213	0.4
132.05705	0.4
135.04434	0.9
137.02318	0.4
137.05991	1.3
138.03140	0.9
144.14978	0.3
145.02855	0.5
148.05206	2.8
149.02367	0.3
151.03923	2.3
151.07549	0.5
153.35558	0.3
162.03120	1.0
162.25717	0.3
163.03906	3.2
166.02641	1.0
167.03412	3.5
174.99226	1.2
179.03407	0.4
181.06459	0.5
184.03690	0.6
192.04230	0.9
193.05013	0.5
197.04468	1.9
197.06021	0.4
198.06778	1.1
199.07500	0.3
205.05034	0.4
210.06790	0.6
211.04120	0.4
211.07558	0.6
215.07062	0.4
224.04594	0.4
225.05476	1.5
225.09006	0.4
226.06252	3.2
227.07025	1.1
229.04836	0.4
229.08614	1.4
238.06223	0.5
239.07022	1.3
240.07803	0.8
241.08502	1.9
243.06415	1.5
253.04980	1.2
254.05756	1.4
255.06514	1.3
256.07446	0.3
257.08078	1.5
267.06540	11.9
268.07251	4.7
269.08121	5.3
270.05490	0.3
270.08585	0.4
271.06091	2.0
273.11279	1.1
281.04587	0.5
282.05252	1.5
283.06027	1.3
284.06952	0.8
285.04443	0.5
285.07568	10.1
286.08304	0.6
295.06046	3.3
296.06805	11.5
297.07590	4.4
298.08310	0.9
299.05536	2.3
313.07071	15.9
314.07788	3.9
329.10208	100.0
330.10519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
51.08508	0.3
69.32639	2.0
69.33054	0.9
73.62501	0.3
95.01322	0.6
98.98485	2.4
101.50294	0.3
107.01330	0.4
111.04441	0.6
123.00790	2.2
133.02823	1.0
137.02330	1.7
137.05984	0.5
139.03850	0.5
141.07019	0.4
147.04376	0.6
148.05179	1.3
149.02417	0.4
149.05968	1.4
151.00290	2.6
152.01044	1.5
153.01839	1.6
161.02325	0.4
162.03157	0.7
162.06738	0.8
163.03859	0.5
163.07494	0.4
166.02614	1.0
167.03404	3.6
169.01283	0.9
169.06444	1.2
170.07239	0.4
174.03131	1.2
175.03833	0.4
177.01750	0.4
183.04375	0.5
187.07568	0.7
189.01837	2.0
191.07028	0.6
192.04155	1.1
197.04507	0.4
197.06010	2.2
198.06737	0.3
199.07507	0.4
199.11259	0.3
200.04710	0.7
211.03961	0.6
212.04636	0.6
213.09128	0.5
215.07033	1.0
225.05513	2.6
226.06216	0.3
227.07182	1.6
228.04161	2.7
229.04922	0.7
238.06271	0.5
241.08652	0.4
242.05647	0.6
243.06546	5.6
249.05156	0.4
250.06186	0.7
252.04094	1.4
253.04832	2.1
254.05728	1.0
255.06485	1.3
256.03662	1.0
257.04565	0.6
267.02875	0.6
267.06470	2.7
268.07220	1.4
269.04852	0.4
269.08047	1.8
270.05301	3.6
271.06027	7.4
273.11237	1.0
281.04346	1.2
282.05267	0.5
283.06009	1.8
284.03293	0.8
284.06677	0.5
285.07581	3.0
286.08362	0.9
295.05963	1.3
296.06747	2.3
297.07507	0.9
298.04758	2.8
299.05508	4.8
301.06958	0.5
313.07056	9.7
314.07849	36.3
315.08273	0.5
329.06464	21.7
329.10141	100.0
330.06989	0.4
330.10519	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1021
Annotation	6-Hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.70878	0.6
60.61686	0.5
70.72701	1.4
79.57679	0.5
95.04969	1.4
98.98492	3.0
101.97089	0.5
119.04935	1.3
123.04414	0.7
125.06038	0.5
133.02881	0.6
133.06619	0.5
135.04399	1.7
144.49657	0.5
148.05199	2.3
149.02344	0.9
149.05984	0.8
151.02722	1.0
151.03915	15.7
151.07578	1.5
153.05426	0.7
155.04916	0.7
161.05965	1.1
163.03967	0.9
164.04684	1.3
165.07074	0.5
168.04205	0.6
168.05630	0.7
176.04692	1.1
179.03343	0.7
181.04970	1.8
181.06459	0.9
182.07278	1.4
183.04442	2.6
185.06046	0.5
189.05502	1.4
197.06161	1.3
198.06781	6.8
201.05452	1.7
206.05733	0.6
207.06485	0.6
210.06764	4.5
211.03981	2.5
211.07520	1.1
213.09085	0.6
215.07027	1.4
225.05586	3.5
225.09088	3.7
226.06250	20.5
227.07047	2.1
228.04207	1.7
229.05009	2.0
238.06282	2.5
239.03378	1.8
239.07033	1.3
240.07814	2.0
241.04837	1.6
241.08612	13.9
242.05743	0.8
243.06558	1.9
253.04956	1.5
253.08617	0.8
254.05746	9.0
255.06435	1.0
256.03552	1.0
257.04477	3.1
258.05057	0.7
261.01016	0.5
263.46936	0.5
266.05963	1.0
267.06497	1.8
268.07382	3.9
269.04630	2.4
269.08105	32.7
271.05936	3.0
273.07663	5.2
273.10699	0.8
279.06671	1.1
281.08044	0.8
282.05209	4.5
285.07565	3.1
286.07990	0.9
295.06064	2.6
296.06830	1.9
297.07587	19.0
298.08264	1.2
299.05435	2.1
300.06161	1.0
301.07156	2.6
301.10190	0.8
313.07117	4.2
314.07843	3.1
329.06818	4.5
329.10202	100.0
330.10486	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	329.1016
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01870	0.2
55.05511	0.3
59.20951	0.2
67.05494	0.5
68.99803	0.2
69.07049	0.6
69.58577	1.5
74.57787	0.3
79.05460	0.3
81.03428	0.2
81.07038	0.8
83.08614	0.3
86.00571	0.2
91.05469	0.5
93.07067	0.4
95.04955	0.4
95.08601	0.9
97.06522	0.2
97.10101	0.2
98.20831	0.5
98.98473	10.4
98.99118	0.5
105.07042	0.5
107.01300	0.5
107.04922	0.4
107.08604	0.4
108.02099	1.9
108.05741	0.6
109.02872	0.4
109.10136	0.7
115.05479	0.2
116.99453	0.2
118.04138	0.4
119.08614	0.2
121.02859	0.3
121.06509	2.4
123.04406	0.7
123.52183	0.2
132.05727	1.8
133.02826	0.4
133.06483	0.8
135.04378	0.7
137.02333	0.5
137.05981	0.8
138.03081	0.3
139.03954	0.2
141.06981	0.8
144.05687	0.4
145.02841	0.2
145.06496	0.3
147.04411	0.3
148.05199	1.2
149.02309	0.3
149.05994	0.3
151.03864	1.1
152.01036	1.5
153.01788	0.6
153.06984	0.6
155.03421	0.4
155.04883	0.6
157.06506	0.4
159.08023	0.3
161.05981	0.6
162.06818	0.2
165.05508	0.2
165.06990	0.5
166.99677	0.3
167.03435	0.5
168.05681	0.3
169.06474	2.3
170.02116	0.4
170.07246	0.5
172.05188	0.3
174.99216	0.7
176.98938	0.4
181.01355	0.3
181.04991	0.4
181.06479	1.1
182.07281	0.4
183.04391	0.6
183.08063	1.0
184.05272	0.3
184.08832	0.7
185.00685	0.4
185.06015	0.5
185.09570	0.5
187.07539	0.3
191.03362	0.3
191.06958	0.3
192.90581	0.3
196.05208	0.3
197.04376	0.3
197.05995	2.1
198.06738	1.3
199.07698	0.3
200.04634	0.6
202.06317	0.3
209.05965	0.7
211.03964	0.3
211.07602	1.4
212.04720	0.5
212.08315	0.5
213.05515	0.8
213.09105	2.3
214.06367	0.3
215.07030	0.5
225.05510	1.9
226.06194	0.7
227.06978	0.8
228.04124	1.0
229.04967	0.8
229.08592	1.7
230.05759	0.6
239.07071	1.1
240.07840	7.1
241.04967	0.8
241.08572	1.0
242.05746	0.4
243.06522	1.6
245.08147	0.3
253.04953	0.6
254.02242	0.4
254.05585	0.3
255.06485	0.9
256.03641	1.3
256.07288	0.5
257.04575	0.4
257.08023	0.6
258.05197	0.6
267.06519	1.0
268.07318	14.5
269.04593	1.5
269.07886	1.2
270.05151	0.6
271.06009	3.1
273.07565	0.7
273.11151	1.7
282.05249	0.4
283.05948	0.8
284.03122	0.9
284.06836	0.8
285.04309	0.3
285.07581	7.9
286.04813	0.4
286.08173	0.9
296.06815	10.4
297.04001	0.4
297.07495	0.9
299.05508	3.5
300.06290	2.8
301.07114	1.3
311.05579	0.3
313.07074	20.1
314.04156	1.5
314.07776	10.6
329.06488	20.2
329.10153	100.0
330.06921	0.5
330.10278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1022
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
53.29056	0.2
69.07043	0.3
69.39515	1.3
69.39927	0.3
73.59087	0.2
81.07051	0.4
89.03876	0.2
91.05475	0.4
95.04967	0.6
95.08599	0.2
98.98473	14.8
105.07085	0.2
107.01295	0.5
109.10102	0.2
116.99500	0.2
118.04177	1.3
119.04942	0.6
122.03635	0.5
134.03654	0.4
135.04431	0.5
141.06996	0.4
146.03629	0.7
148.05199	0.4
149.02356	1.3
149.05945	0.2
150.03151	0.4
151.03909	7.4
151.05119	0.4
151.07495	0.4
153.07144	0.2
155.04865	0.3
163.03882	0.3
164.04654	1.7
168.04158	0.7
169.05165	0.2
169.06441	0.9
174.99188	0.8
176.04811	0.2
176.98982	0.6
181.05074	0.4
181.06479	1.1
182.07240	0.7
183.04411	0.9
183.08002	0.2
187.07570	0.3
193.06494	0.3
195.04520	0.3
196.05197	0.4
197.05986	5.7
198.06790	2.3
200.04517	0.2
201.05490	2.5
205.04828	0.3
207.06654	0.3
209.06023	0.7
210.06781	1.9
211.07544	10.0
212.08302	1.0
213.09055	0.3
214.06348	1.0
215.07022	1.9
223.07565	0.4
224.08266	0.3
225.05475	5.8
225.09099	0.9
226.06250	7.2
227.07187	1.2
229.05074	0.5
229.08665	0.3
237.05537	0.6
238.06261	0.9
239.03387	0.4
239.07030	9.5
240.07828	15.4
241.04910	0.4
241.08601	4.4
242.05780	0.5
243.06573	1.2
251.07111	1.2
253.04968	8.9
254.05750	3.3
255.06715	0.3
257.04596	0.3
257.08038	0.4
267.06522	4.4
268.07312	13.9
269.05069	0.3
269.08096	9.3
270.08478	0.2
271.06055	1.7
273.07697	0.5
273.11261	0.8
279.06497	0.7
281.04440	0.8
281.07568	0.3
282.05249	2.1
283.06039	0.7
284.02524	0.3
285.07574	1.9
286.07993	0.3
295.06030	0.7
296.06802	12.6
297.07590	4.5
298.04691	0.2
298.08054	0.4
299.05527	2.8
300.06262	0.5
301.06992	1.0
301.10611	0.5
313.07001	2.1
314.04138	0.3
314.07861	8.2
329.10196	100.0
330.10553	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
57.92435	0.4
60.79905	0.4
71.35474	0.6
91.05473	0.4
98.98470	0.8
105.28557	0.4
107.01236	0.5
107.04972	0.4
108.02081	2.0
121.06528	2.1
123.04469	0.5
132.05713	1.9
133.06516	0.6
134.18529	0.4
141.07004	0.4
151.03928	0.4
152.01038	0.8
153.01888	0.6
153.07048	0.7
162.65056	0.4
169.06493	2.5
170.07324	0.7
181.06425	0.7
182.07333	0.5
183.08025	1.3
184.08878	0.7
185.09651	0.4
197.05919	2.0
198.06850	0.9
209.06003	0.5
211.07564	1.5
212.08412	0.5
213.09087	2.4
215.07324	0.4
225.05426	2.2
225.35568	0.4
226.06288	0.7
227.07048	1.2
229.08592	1.7
239.07059	1.6
240.07845	7.7
241.08554	1.0
243.06583	1.1
250.75244	0.4
253.04939	0.8
256.07318	0.8
257.08218	0.6
267.06540	1.5
268.07303	13.9
269.08026	0.9
271.05942	0.5
273.11194	1.6
283.05896	0.5
284.06915	0.7
285.07587	6.8
286.08331	0.7
296.06805	9.5
299.05518	1.7
300.06229	3.3
313.07065	20.3
314.07816	7.0
329.10211	100.0
330.10544	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	329.102
Annotation	2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one
Peak:m/z	Relative Intensity
53.03943	0.4
54.02591	0.4
56.96566	0.5
57.85428	0.6
64.58561	0.4
65.03938	2.9
67.05496	1.5
68.99793	0.8
69.03433	0.4
69.07062	1.0
70.45071	1.2
77.50576	0.4
79.05482	1.9
80.16228	0.4
80.46791	0.4
81.03388	0.5
81.07050	1.8
91.05490	2.9
93.03417	3.3
93.07010	0.9
95.04959	3.3
95.08624	1.0
97.06528	1.1
98.98472	44.8
103.05466	1.1
105.07028	1.4
107.01303	0.5
107.04971	1.0
108.02100	1.6
109.06518	2.1
109.10146	0.5
111.04436	3.2
116.99469	0.7
118.04188	0.9
119.04967	3.8
121.02849	2.7
121.06507	2.7
123.00796	0.5
123.04403	0.6
125.06013	2.1
127.77330	0.5
132.05682	1.7
133.02864	5.7
133.06499	2.9
135.04430	1.6
137.05988	23.1
141.05490	0.9
146.03635	1.9
147.04417	6.2
149.02379	1.0
149.05968	1.9
151.03920	23.6
151.05032	2.0
152.00999	0.7
153.04292	0.8
153.05492	13.4
153.06795	0.7
161.05988	69.2
162.03137	1.4
163.03923	5.2
163.07477	0.6
165.05499	4.9
167.03410	0.8
169.06487	1.5
171.08038	0.6
174.99214	3.9
176.98923	2.0
177.05479	18.4
178.06258	18.8
179.06982	1.9
181.04997	0.9
181.06461	0.8
183.08102	0.7
184.08917	0.7
189.05484	5.4
197.05994	1.8
198.06870	0.7
205.04938	0.8
208.75803	0.5
209.06052	0.9
211.07556	0.9
213.09174	1.4
214.06241	0.7
225.05481	1.9
226.06277	1.1
227.07118	0.8
228.04044	0.7
229.08614	1.0
237.05585	0.8
239.07066	1.1
240.07860	5.2
241.08583	1.6
243.06522	0.8
253.05013	0.8
255.06520	0.6
267.06525	0.7
268.07343	10.8
269.04883	0.6
269.08118	2.6
271.06064	1.3
273.11227	1.5
280.07083	0.5
283.06015	0.8
283.09686	0.6
285.07538	5.3
286.04642	0.5
296.06824	7.3
297.07550	1.5
299.05600	2.7
299.08722	0.7
300.06183	2.2
301.07404	1.0
301.10727	6.1
311.05545	1.1
311.09274	1.7
313.07065	12.8
314.04330	0.7
314.07785	5.7
329.06812	5.1
329.10196	100.0
330.10519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1021
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
53.03930	0.2
55.01878	0.3
55.05517	0.5
57.03421	0.2
57.07079	0.3
59.15718	0.2
67.05504	1.1
69.07070	1.4
69.29939	2.0
79.05489	0.6
81.03419	0.3
81.07065	2.5
83.08610	0.7
85.06531	0.5
86.82610	0.2
91.05527	0.6
93.03404	0.3
93.07024	0.9
95.04994	0.3
95.08615	2.1
96.55637	0.2
97.06529	0.6
97.10143	0.5
98.00457	0.2
98.20652	0.5
98.98473	16.0
99.08081	0.5
105.07014	0.4
106.81931	0.2
107.08576	0.6
109.02880	0.4
109.10189	1.1
121.06473	0.3
121.10122	0.3
123.04417	0.3
123.11715	0.7
124.05219	0.3
125.06007	0.6
131.08554	0.3
134.03632	1.3
135.04472	0.3
135.11662	0.4
137.02338	1.3
137.05963	0.9
137.13251	0.4
141.06987	0.5
149.06021	0.4
149.13222	0.3
151.03914	0.6
152.01099	0.4
152.04666	1.0
153.05455	0.5
161.05911	0.3
162.03065	0.3
165.01955	0.4
165.05473	0.9
167.03481	0.3
169.06509	0.7
174.99246	1.5
175.03917	0.5
176.98935	0.6
180.04205	2.8
181.05005	2.8
181.06468	0.5
183.02910	2.1
185.06097	0.3
187.07558	0.5
197.05992	1.4
198.05231	5.3
198.06795	0.3
199.07477	0.3
201.05449	0.3
202.09824	0.2
208.05359	0.3
211.03937	1.3
211.07376	0.2
213.05495	0.3
213.09180	0.4
214.06311	0.5
215.07039	1.8
225.05452	2.3
226.06200	0.6
227.07028	1.8
228.04201	0.5
229.08627	1.3
230.09370	1.5
240.04045	0.3
241.05046	0.3
241.08542	1.8
242.05692	0.7
243.06532	2.7
253.04994	3.0
254.05748	0.7
255.06558	1.7
256.03674	0.3
257.08084	5.5
258.08902	2.7
258.25058	0.3
267.02930	0.6
267.06583	0.3
268.03592	0.2
268.07361	1.0
269.04559	0.7
269.08096	2.7
270.05151	0.8
270.08807	0.4
271.05972	1.4
273.11255	1.9
281.04510	1.6
283.05942	1.2
285.07611	3.5
286.04898	0.4
286.08322	1.0
293.28381	0.3
296.06793	0.4
297.04239	0.5
297.07562	3.8
298.04791	0.9
299.05441	1.8
300.06171	0.5
301.10818	0.5
311.29437	0.7
313.07071	9.2
314.07858	25.6
329.06851	4.7
329.10199	100.0
330.10684	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	329.102
Annotation	2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one
Peak:m/z	Relative Intensity
50.42901	0.6
52.00724	0.6
56.32691	0.6
68.99816	0.8
70.81479	1.6
71.82410	0.7
85.74062	0.6
98.98478	2.8
105.39930	0.5
121.02854	0.6
121.06506	2.5
137.06004	0.8
148.05188	2.3
149.02351	11.4
151.03909	24.4
164.04697	2.5
197.06036	0.9
198.06790	2.4
201.05428	3.3
203.07059	5.1
215.07106	1.6
215.18494	0.7
225.05493	1.3
226.06290	7.3
229.04990	10.9
237.05367	0.9
243.06526	2.4
253.05098	0.8
254.05807	5.6
269.08084	4.3
271.06046	15.4
282.05267	3.3
283.06042	1.9
297.07651	4.2
299.05530	51.2
300.05795	1.3
314.07852	16.4
329.10214	100.0
330.10611	1.6
336.14572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0657
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
53.48525	0.2
55.01865	0.6
63.72128	0.2
64.95843	0.3
67.05502	0.3
68.99776	0.8
69.07053	0.3
70.60292	0.4
70.60645	0.5
79.01834	0.4
79.05488	0.4
81.07041	0.7
95.04955	0.5
95.08576	0.6
96.02083	0.6
97.06541	0.4
98.98469	7.6
105.03391	1.0
107.01287	0.3
109.02866	0.2
110.17078	0.2
111.04443	2.4
115.78723	0.2
123.11743	0.2
124.01604	0.3
126.03113	0.3
130.81422	0.2
133.02859	4.2
135.04364	0.3
137.02332	1.7
139.03917	3.1
149.02296	0.3
151.03891	1.0
152.01054	2.1
155.04959	0.3
158.03627	0.3
161.02357	1.0
162.03127	2.3
163.03903	0.4
167.03409	15.9
172.05194	0.7
174.99228	0.4
176.98973	0.4
177.01831	1.4
179.03381	0.5
183.04434	1.2
184.05138	0.5
186.03226	0.4
187.07565	0.6
188.04660	0.4
189.01836	7.9
189.03563	0.4
190.02560	0.3
199.03987	0.3
200.04689	3.2
201.05463	0.5
203.06993	0.6
205.04947	0.3
211.03882	1.3
212.04643	1.2
213.05379	0.3
215.03458	0.5
215.06999	1.3
216.04137	1.2
227.07042	1.1
228.04178	12.8
229.04962	2.0
230.05721	0.7
230.58388	0.2
231.06491	1.5
237.03906	0.9
239.03333	0.6
240.04245	0.6
241.04956	0.5
243.06541	23.3
244.06917	0.4
245.08028	0.6
255.02516	0.3
255.06523	0.5
256.03705	3.1
257.04529	1.4
258.04971	0.3
259.06116	0.3
268.03827	0.2
269.04462	0.7
271.06027	19.7
272.05948	0.3
273.07675	1.1
283.05948	0.3
284.03143	2.4
286.04706	0.3
299.02344	0.5
299.05542	6.5
299.86218	0.2
301.07022	1.6
311.05521	0.5
311.52744	0.2
314.04263	1.0
329.06558	100.0
330.06839	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	329.102
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
52.98170	0.3
61.79575	0.3
70.04814	1.0
78.64755	0.3
84.08173	0.3
88.90490	0.3
91.05479	0.6
96.69067	0.4
98.20803	0.5
98.98474	4.2
105.07038	0.5
109.06522	0.3
121.06474	0.9
123.00806	1.1
125.02343	0.7
133.02841	1.8
134.03635	0.4
135.04428	0.5
135.08015	0.5
137.02354	3.3
137.05960	5.9
137.06931	0.5
138.03145	1.2
141.07082	0.3
145.62854	0.3
147.04491	0.7
148.05194	12.7
149.02350	0.3
149.05968	2.3
151.00243	0.7
151.03886	1.1
151.07573	0.4
152.01076	2.6
153.01843	4.8
153.05434	0.4
155.62775	0.3
161.05971	1.7
162.06758	2.3
163.03922	0.7
163.07492	0.4
164.04706	0.5
164.08328	0.9
165.01849	0.7
166.01350	0.5
166.02573	2.0
167.03387	0.8
169.06468	0.6
170.02036	0.5
176.04712	0.8
177.05478	1.1
178.02637	1.0
178.06218	1.0
187.07553	0.5
191.03423	0.5
191.07013	1.5
193.04947	0.6
197.06017	0.8
198.06827	0.4
204.04195	0.6
210.06584	0.3
212.04503	0.3
215.07074	1.2
225.05446	1.1
226.06189	0.9
227.07005	0.9
229.04872	0.6
239.03391	0.5
241.08539	0.4
243.06602	2.0
253.05058	1.8
254.05704	0.6
255.06497	1.0
257.08017	0.4
268.03683	0.9
268.07336	0.7
269.07999	2.6
270.05359	0.7
270.08755	0.4
271.06046	3.8
273.11157	1.3
281.04428	1.0
282.05255	2.7
283.05984	3.7
285.07544	3.3
286.08368	0.9
296.06998	0.4
297.07602	2.8
299.05508	3.0
300.06290	0.7
301.10626	0.8
313.06985	3.1
314.07855	31.8
315.08353	0.6
324.91141	0.3
329.10196	100.0
330.10608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0657
Annotation	Dalspinin
Peak:m/z	Relative Intensity
55.01890	0.6
68.99785	0.6
70.37264	0.4
70.69540	1.2
98.98457	4.8
105.03361	1.4
107.01303	0.7
107.04929	0.5
111.04467	0.6
114.59453	0.6
121.02854	0.6
124.01531	0.8
133.02823	2.2
137.02299	3.1
139.03882	1.2
144.05676	0.8
152.01047	10.3
161.02342	5.4
162.03133	8.5
163.03851	1.1
167.03415	16.1
170.02112	2.3
172.05223	1.0
177.01785	1.2
178.06274	1.3
183.04433	1.0
187.03993	0.7
189.01912	3.9
190.02534	1.1
200.04675	4.7
201.05403	0.8
211.03899	1.9
212.04695	1.2
214.02548	0.9
215.03413	0.7
215.06952	1.0
216.04117	2.3
217.86771	0.5
225.05423	1.2
227.07108	1.1
228.04164	29.4
229.04935	2.4
230.05534	0.7
231.06462	0.7
238.02486	0.8
239.03391	12.2
240.03926	0.6
242.02052	1.6
243.06535	14.2
253.04958	2.1
255.06552	1.0
256.03690	7.6
257.04535	2.5
267.02963	1.5
268.03860	0.8
268.07159	0.5
269.04440	1.0
271.06018	24.6
273.07489	1.2
281.04504	1.4
283.05960	0.8
284.03146	9.3
286.04657	1.1
295.05939	0.8
296.06723	0.7
297.03949	0.9
297.07431	0.8
299.05502	35.4
301.07184	0.7
313.07028	0.7
314.04138	13.9
314.07831	12.0
329.06497	100.0
329.10214	44.0
330.06781	1.7
330.10544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0656
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
51.34639	0.3
51.60461	0.4
55.65077	0.3
56.47305	0.3
67.05462	0.3
70.08638	1.1
70.08984	0.7
74.13364	0.3
81.03419	0.8
90.04694	4.9
91.05478	0.8
92.61938	0.3
95.08572	0.5
98.20846	0.4
98.98467	14.1
105.07020	0.6
107.08616	0.4
109.02880	0.7
116.06255	0.7
118.04138	1.1
125.02340	0.5
130.04140	1.2
131.04945	1.2
133.02812	0.4
139.00307	0.6
141.85867	0.3
144.05701	0.7
146.03664	0.5
147.04404	0.9
151.03889	0.9
153.01826	0.5
155.04945	0.5
156.21884	0.4
158.03653	2.4
159.04387	1.0
159.57013	0.4
162.03168	0.7
163.03812	0.4
165.12006	0.3
166.99657	0.4
172.05183	1.0
173.05952	0.7
174.99252	0.7
175.03909	1.2
176.98917	0.6
183.04437	0.6
184.05215	0.5
187.03905	0.6
199.03932	2.1
200.04634	1.7
203.07051	3.2
211.03883	0.5
212.04607	0.4
213.05299	0.5
215.03482	0.5
228.01939	0.8
228.04190	10.8
229.04799	0.4
240.04218	0.4
241.04875	0.4
243.06512	0.6
255.02948	0.4
256.03677	26.4
257.04257	0.7
269.04385	0.9
269.08163	0.5
271.06030	4.6
283.02304	0.5
284.03159	25.8
285.03802	0.7
286.04871	0.6
299.05481	7.1
299.08563	0.6
311.09436	0.8
314.04218	40.7
315.04501	0.5
329.06555	100.0
329.09854	4.4
330.06842	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0657
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
52.40172	0.3
56.96568	0.6
57.90839	0.3
59.15815	0.3
67.05505	0.4
68.99796	1.1
69.07055	0.6
69.40396	0.4
70.08733	0.7
70.09122	0.9
79.05484	0.7
81.07034	0.9
83.04989	0.4
84.08126	0.7
90.04676	0.4
91.05486	0.4
93.07041	0.6
95.04967	0.5
95.08619	0.6
97.06511	0.3
98.98468	57.5
99.05270	0.4
105.07045	0.7
106.68831	0.5
107.08581	0.7
116.99505	0.8
119.08577	0.9
121.10120	0.5
128.06172	0.3
131.04950	1.3
135.04448	0.4
140.01060	1.1
143.08519	0.6
144.05711	0.7
145.02856	1.6
145.61841	0.3
146.03619	7.8
147.04358	0.8
148.05254	0.4
149.02515	0.5
149.10921	0.3
151.03870	1.0
158.03662	1.2
159.04453	0.6
161.05997	0.5
168.00540	4.6
171.04408	0.4
171.11819	0.4
172.05238	0.9
173.06009	0.4
174.99234	4.2
176.98950	2.4
183.04468	0.7
185.09610	0.3
186.01622	1.9
199.03922	0.6
200.04698	3.7
201.05496	0.5
212.04694	0.9
225.05457	0.6
226.06245	0.9
228.04193	4.4
239.03429	0.4
240.04182	1.1
241.04843	0.4
241.08600	0.8
243.06551	0.5
252.99690	0.8
254.05740	0.4
256.03671	7.4
257.04449	1.1
258.05460	0.5
268.03702	2.0
268.07092	0.6
269.04419	1.0
269.08051	0.9
271.06009	2.7
273.07382	0.5
283.06076	1.1
284.03131	7.1
285.03961	1.3
286.04712	2.0
296.03329	0.7
296.06680	0.5
297.03955	0.6
297.07498	1.0
299.05527	4.3
300.06186	0.5
301.07056	0.7
311.19940	0.4
313.03439	12.0
313.06808	0.9
314.04208	72.5
315.04398	0.8
329.06580	100.0
329.10135	8.3
329.17126	1.7
329.21387	1.6
330.06854	1.1
337.88577	0.4
347.15237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0657
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
62.73730	0.2
68.99790	0.3
71.08652	0.6
79.05470	0.3
81.07050	0.3
83.22695	0.2
86.47819	0.3
91.05464	0.6
95.04948	0.4
95.08612	0.2
98.98470	9.9
98.99119	0.5
116.96696	0.2
119.04926	0.7
123.00795	0.8
123.04446	1.6
124.01580	0.6
134.03705	0.3
149.02316	0.3
151.03902	1.4
152.01025	0.6
153.01848	0.9
160.05197	0.3
161.02339	4.8
161.05991	0.9
162.03127	56.0
163.03532	0.4
172.05174	0.5
174.99237	0.7
176.04678	0.5
179.03432	0.7
186.03145	1.1
189.01808	2.5
200.04691	3.9
203.03366	0.4
205.04980	0.3
211.03908	0.3
212.04692	1.0
215.07085	0.3
216.04173	0.8
226.06335	0.4
227.03474	0.4
228.04179	14.6
229.04915	1.0
231.02969	0.4
239.03485	1.6
240.04169	6.0
241.04976	1.1
243.06477	1.3
244.03670	1.2
255.02939	0.4
256.03680	11.4
257.04324	0.5
264.74600	0.3
267.02948	0.4
268.03757	0.6
269.04608	0.5
269.08112	0.4
270.05087	0.3
271.06012	11.3
273.07507	0.4
283.02490	0.5
284.03171	6.1
285.03909	1.2
286.04556	0.4
296.03198	0.8
297.03949	8.3
297.07355	0.5
299.05502	9.6
301.07111	0.6
313.03525	2.8
314.04208	30.8
315.04599	0.8
323.45035	0.3
329.06564	100.0
330.06821	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0651
Annotation	Dalspinin
Peak:m/z	Relative Intensity
51.02386	0.1
53.03942	0.3
55.01864	0.2
55.05503	0.1
56.37140	0.1
57.03428	0.3
65.03938	1.1
67.01883	0.3
67.05479	0.1
68.99788	0.9
69.03411	0.1
70.72094	0.1
70.91661	0.2
74.12888	0.1
79.01832	0.1
79.05485	0.1
81.02975	0.1
81.03418	1.5
83.01344	0.2
83.04993	0.1
85.02899	1.0
86.09727	0.1
89.03912	0.2
93.03412	0.9
95.04957	0.2
97.02884	0.2
98.98469	3.3
105.03394	0.4
107.01303	0.2
107.04953	0.2
109.02880	1.3
110.03659	0.1
111.00798	0.1
111.04431	0.3
117.03380	0.1
117.64619	0.1
121.02869	2.6
123.04416	0.1
124.01569	0.1
125.02356	0.3
127.03912	0.2
133.02844	0.5
134.03641	0.5
135.00740	0.1
135.04424	1.7
136.05171	0.1
137.02342	3.5
137.03354	0.1
138.03088	0.5
139.03888	0.1
139.05424	0.1
141.01814	0.2
141.07037	0.1
147.04404	0.2
147.67743	0.1
149.02342	5.1
151.03917	0.1
152.01036	0.1
152.06149	0.2
153.00708	0.1
153.01842	1.2
153.06999	0.3
161.02335	2.3
163.03902	0.2
165.01837	1.3
165.07095	0.1
166.02618	0.6
167.03403	5.9
169.06485	0.1
171.04582	0.1
174.99228	0.3
175.03893	0.1
177.01833	2.8
179.03448	0.5
181.06483	0.4
183.02933	0.4
184.03674	0.2
189.05469	0.1
195.02896	3.3
197.06032	0.1
199.07523	0.1
201.05498	0.1
203.03477	0.4
209.06007	0.3
213.03761	0.1
213.05490	0.3
217.04979	0.1
218.05807	0.3
219.06520	0.1
226.06270	0.1
227.07045	0.5
229.04918	0.4
231.06551	0.3
237.05453	0.3
241.04956	0.2
243.06538	0.5
244.07339	0.4
245.04485	1.9
254.05757	0.1
255.06516	2.0
257.04486	0.1
257.08142	0.1
258.05258	1.2
263.05536	0.1
265.05014	0.2
269.04456	0.2
271.06012	1.7
272.06796	1.9
273.07562	0.2
282.05243	0.2
283.06015	11.8
284.06616	0.2
285.03903	0.5
285.07440	0.2
286.04721	4.3
287.05478	0.1
293.04523	0.1
299.02972	0.2
299.05502	10.6
300.06281	14.2
301.07053	1.3
311.05490	8.0
311.09326	0.1
312.05817	0.1
329.06543	100.0
330.06888	1.6
353.31430	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43719	1.3
55.05511	7.7
56.96576	1.3
58.58445	1.2
61.39941	1.3
65.05499	1.4
67.05219	1.3
67.05505	14.2
69.03437	1.3
69.07057	3.9
69.84470	7.4
79.05490	11.3
81.03422	1.8
81.07059	10.6
83.08623	3.3
89.91357	1.4
91.05483	8.8
93.07043	7.7
93.93031	1.3
95.04957	4.6
95.08601	5.3
97.10186	3.2
97.90216	1.4
98.98470	100.0
105.07036	6.4
105.17397	1.2
107.08614	7.8
109.10178	8.1
117.07010	1.9
119.08567	6.0
121.10130	4.1
130.93275	3.1
131.08553	1.6
133.10144	3.5
137.09625	4.1
139.82707	1.3
145.10135	1.7
147.11728	2.2
155.10654	1.4
172.13193	1.6
172.94270	6.5
173.11740	3.6
174.99271	7.0
176.98898	2.3
190.95372	3.8
196.14156	1.3
205.49490	1.4
223.13026	1.6
232.96404	8.1
247.26483	1.4
250.97557	2.5
262.93829	1.5
275.20090	4.7
328.08917	4.2
329.06458	1.9
329.10251	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
53.15881	1.6
55.05513	18.3
56.96565	1.8
57.03470	1.7
67.05507	17.0
69.03426	2.6
69.07076	11.8
69.68521	11.6
70.95046	1.7
79.05496	17.1
81.07059	12.5
83.04987	2.7
83.08627	14.3
91.05484	8.2
93.07025	9.9
95.04976	2.1
95.08620	9.4
97.10178	19.7
98.21493	2.4
98.98473	100.0
105.07037	8.1
107.08597	21.2
109.10162	5.9
119.08578	5.9
121.10165	5.3
125.09647	18.9
130.93320	4.1
131.08572	4.0
133.10153	3.9
138.36131	1.9
139.32919	2.0
145.10127	3.7
147.11679	2.9
163.11186	1.8
172.94331	10.4
173.11760	3.7
174.99268	7.8
183.52054	1.9
189.11217	20.1
190.95401	14.0
208.96429	2.7
214.95456	4.8
232.96501	15.8
250.97530	7.3
275.20074	12.6
280.95010	2.2
297.07416	2.9
300.09518	3.5
313.07043	3.2
328.09076	5.5
329.06653	2.8
329.10199	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01878	4.0
55.05264	3.2
55.05519	56.0
57.07075	2.4
59.45212	1.9
65.25267	1.8
67.05521	13.5
69.03430	7.1
69.07076	15.6
71.09195	3.9
79.05502	31.2
81.03435	1.9
81.06619	3.0
81.07060	22.3
83.04991	4.8
83.08627	37.5
85.06525	2.3
91.05486	13.9
93.02074	2.0
93.07051	9.9
95.08609	7.9
97.10179	80.7
98.98476	100.0
105.07039	16.5
107.08606	87.1
109.10162	4.7
111.08097	2.8
117.06963	3.9
119.08591	9.6
121.10123	4.1
125.09634	57.9
129.39363	2.1
129.91211	1.9
130.93298	4.3
131.08533	3.5
133.10123	8.5
135.08049	6.9
143.10670	4.7
145.10143	7.0
147.11696	10.8
149.09576	5.6
151.03883	2.7
153.09102	5.8
159.11803	2.2
161.13194	3.0
162.03136	2.4
163.03494	3.7
163.11002	1.7
164.85600	1.8
169.10045	2.0
170.06721	2.0
170.11786	2.3
171.10176	9.1
172.94363	12.6
174.99225	8.6
176.98938	2.3
181.12218	2.5
189.11232	96.5
190.95404	8.8
205.05107	2.6
208.96539	2.2
214.05966	2.4
226.06122	2.5
232.96448	16.6
250.97488	7.2
254.05440	2.3
255.02525	3.3
257.19019	7.6
258.08237	2.5
262.93909	4.2
267.02219	2.3
268.10382	3.8
269.04266	3.0
270.04828	8.0
275.20084	63.2
283.01962	9.6
284.06525	4.7
293.21286	3.8
296.06433	2.7
297.04224	3.9
298.04315	21.8
299.05273	3.1
299.09387	2.7
300.06055	2.8
300.09412	2.9
310.11655	4.0
312.05859	3.4
313.03027	10.6
313.06735	10.9
314.04132	8.2
328.05289	32.5
328.09012	40.9
328.12613	11.7
329.06500	11.0
329.10168	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	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
54.07332	1.0
55.01882	1.1
55.05508	2.2
56.96553	2.6
57.03422	3.4
59.05006	18.7
61.02921	1.8
65.03954	1.4
67.05511	7.0
67.88799	1.0
68.05051	1.5
69.03432	8.2
69.07069	2.0
69.53491	7.3
70.06596	17.1
71.04995	1.5
72.07797	1.6
72.08162	19.4
73.02914	1.4
73.06560	56.3
79.05491	2.2
81.03419	5.2
81.07057	1.8
82.06572	0.9
83.04944	1.3
84.04533	1.3
84.08156	6.8
85.02914	9.6
85.06567	1.6
85.33931	0.8
86.06064	2.7
86.09715	22.4
91.05485	2.6
93.07038	2.9
95.04980	4.1
95.08627	1.6
97.02890	3.9
98.02409	2.0
98.09647	1.1
98.98473	100.0
99.04438	1.9
102.05551	2.6
103.05461	2.4
105.07021	1.4
107.08612	1.1
109.02863	4.7
110.06062	1.6
110.07166	2.0
112.07607	1.9
113.05998	1.1
116.06321	1.6
116.07105	19.6
116.99448	1.4
117.09123	5.2
119.04918	1.2
119.08590	1.3
120.04514	1.0
120.08112	8.5
121.06476	1.2
124.03957	2.9
124.07603	3.6
127.03944	2.9
128.10689	1.1
129.10236	1.6
130.08635	1.9
131.06914	1.1
131.10661	5.4
132.06581	2.4
133.06554	1.2
136.07570	2.1
137.05995	2.2
138.05496	14.8
138.09154	6.7
142.08551	1.3
147.11243	1.1
148.07585	18.9
149.09859	1.1
149.11745	25.9
150.09125	1.6
165.05473	1.1
166.05032	10.2
166.08644	16.6
174.99309	5.0
176.98993	3.4
181.04892	1.0
184.09702	3.7
185.12874	1.9
185.16542	9.1
190.08620	6.9
202.10753	3.6
213.16014	3.7
219.01781	1.3
229.04996	1.5
284.06451	1.0
284.09686	1.0
328.15118	7.4
328.21896	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	328.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.3
70.36648	2.2
73.46115	0.5
77.92667	0.5
79.01843	0.6
80.11018	0.6
80.11461	0.6
95.04936	0.5
98.98473	8.6
107.04924	1.5
122.35641	0.5
130.93285	0.7
135.04391	1.5
148.05197	0.6
151.03909	4.0
158.07271	0.8
162.03082	2.1
163.03911	2.8
169.06450	1.6
172.94318	1.5
176.04778	0.9
177.05402	0.7
178.06265	5.1
183.04381	0.6
185.05872	0.7
186.06737	1.8
190.95335	0.9
196.07835	0.5
197.05965	2.4
198.06741	1.9
199.03941	1.1
200.04707	1.0
201.05489	3.7
203.06993	1.1
204.69707	0.5
209.05920	2.1
211.07509	0.7
214.06256	18.1
225.05475	7.4
226.06200	1.6
227.07053	1.0
228.04141	1.0
229.04938	1.7
229.08534	1.2
232.96413	1.6
238.02631	1.7
239.06917	2.7
241.04839	0.8
241.08620	2.3
242.05751	14.4
253.04988	24.8
254.05653	1.7
257.08118	9.1
267.06543	4.8
268.07010	0.6
269.04471	1.4
270.05222	4.9
271.06097	0.9
281.04425	3.4
281.07703	1.0
282.05179	2.0
283.05902	0.7
284.06342	0.9
285.07590	27.2
295.06015	2.3
297.07327	1.0
298.04761	13.2
299.05560	0.8
300.09613	0.8
310.08374	2.1
311.09091	1.6
313.07074	100.0
314.04199	1.3
314.07468	1.7
327.08588	1.7
328.09421	50.5
329.06537	3.9
329.10181	1.4
335.99860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05480	1.7
53.03951	1.5
53.99071	1.5
55.01856	2.2
55.25415	1.5
56.05029	2.5
56.96568	3.9
57.03434	5.7
58.72972	1.5
61.02921	2.0
69.03442	7.7
70.06604	4.0
70.58350	3.4
70.58694	1.9
71.04716	1.5
71.04999	16.9
72.08143	3.0
74.06058	1.7
81.03423	3.9
84.08141	1.7
84.96010	1.5
85.02914	19.7
87.04486	1.9
89.06040	100.0
93.62221	1.5
97.02897	6.4
97.07641	2.0
98.97614	5.0
98.98478	79.5
99.04453	12.8
102.05572	2.6
103.07558	2.5
107.04961	2.0
109.02921	3.3
110.97561	3.7
113.06032	2.5
113.82404	1.5
117.05512	2.0
127.03927	2.9
130.16475	1.8
131.07054	11.2
143.00119	1.7
145.05034	1.8
149.08113	53.6
158.99728	1.7
166.08626	6.4
174.99226	6.3
175.99622	2.4
176.98940	2.5
177.00630	1.7
201.00682	1.8
204.77626	1.6
210.56372	1.8
219.01765	3.0
232.96352	2.4
328.13831	4.7
328.18588	10.0
329.12079	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	328.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	15.4
57.03439	0.6
57.06242	0.4
64.73509	0.3
69.03416	1.3
70.17104	1.7
70.98112	0.5
71.04948	0.5
71.95240	1.0
72.08155	0.9
72.59819	0.3
72.96042	0.3
81.03391	0.4
83.97611	0.9
84.08112	0.3
84.96011	0.6
85.02898	1.9
97.02880	1.1
98.97588	31.0
110.97554	1.0
112.92276	1.0
115.00687	0.6
116.98632	10.2
124.00746	0.4
126.02253	1.1
128.10713	0.3
128.98622	0.5
130.93314	3.0
134.99646	2.3
140.03838	0.9
142.05388	0.8
144.03291	0.5
148.06148	1.2
154.93307	1.4
155.94101	0.5
158.04909	0.9
158.92793	0.6
158.99591	0.6
160.06468	1.6
166.07256	12.2
166.08659	0.6
170.04846	0.6
172.94360	42.4
174.11308	0.4
177.00703	0.4
186.04404	0.9
188.06046	0.5
190.95406	20.2
198.95796	0.4
202.95253	0.5
205.05463	0.6
206.07021	0.6
208.96399	3.4
213.96985	0.5
214.95403	51.5
216.96950	1.0
219.01817	0.4
232.96465	100.0
237.02733	0.5
242.93674	1.1
250.97534	36.1
255.98032	0.8
260.94559	1.8
269.95844	0.5
276.04492	0.4
278.95743	1.1
286.02792	0.7
287.97046	2.3
298.02805	0.5
304.03748	1.2
305.98218	0.8
328.03790	17.2
328.07675	0.8
328.12045	1.3
328.18640	0.4
343.45389	0.4
346.04874	74.4
347.05307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01870	4.7
55.05516	15.4
55.20035	1.4
57.03428	3.0
57.07076	8.6
57.27343	1.3
61.97751	1.3
67.05512	28.6
69.06730	2.0
69.07076	32.6
71.04993	3.7
71.08607	2.3
71.56403	1.9
79.05498	17.0
81.07064	93.0
83.04945	1.6
83.08621	12.6
85.06552	59.1
89.43681	1.3
91.05471	6.4
93.07053	30.6
95.08616	72.1
97.02896	1.6
97.06533	7.0
97.10172	10.7
98.71814	1.5
98.98476	100.0
99.08104	24.8
105.07047	9.3
107.07880	1.7
107.08603	31.3
109.09454	2.4
109.10168	34.0
111.08089	30.8
111.11707	6.7
113.09647	4.4
115.07582	1.5
119.08602	5.7
120.06012	1.5
121.06493	2.1
121.10152	22.5
123.08097	1.7
123.11706	23.2
125.09614	4.4
127.11249	1.8
133.10187	2.8
135.11690	13.0
137.05948	2.5
137.13261	14.5
139.11180	2.2
147.11717	2.5
149.12157	2.8
149.13264	31.6
151.14841	3.8
153.12799	2.4
155.14259	2.6
161.13268	3.6
163.14842	10.0
167.14340	5.9
174.99213	10.9
175.01830	1.4
177.16415	8.7
195.17436	6.5
209.18970	3.0
213.18512	4.0
217.19612	2.4
279.26825	2.6
291.19754	2.0
291.23611	1.5
291.26755	8.9
299.09528	2.0
309.27890	18.2
318.74564	1.6
327.08575	5.2
327.12268	2.5
327.28870	7.1
334.16913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
55.01870	0.6
55.05520	1.6
56.96568	0.5
57.07062	0.8
62.41722	0.4
63.02360	0.4
65.03930	0.3
67.05502	2.4
67.69068	0.3
68.99776	0.7
69.07075	3.8
79.05505	1.8
81.07063	7.4
83.08623	2.6
85.06525	1.6
91.05474	1.2
93.07053	3.5
95.04957	1.2
95.08604	6.2
97.06499	1.1
97.10155	1.0
98.98470	17.1
99.08101	0.6
105.07018	1.2
107.04951	1.3
107.08611	3.4
109.06505	0.5
109.10173	2.5
111.08077	3.6
111.11696	0.8
119.08569	0.6
121.02837	0.5
121.06490	2.7
121.10129	1.6
123.11686	2.3
125.09598	0.4
133.06465	0.6
133.10143	0.6
134.03612	3.1
135.04427	7.2
135.11708	1.2
137.05920	2.0
137.13223	0.8
139.11189	0.4
145.10139	0.5
148.05206	0.4
149.02354	3.7
149.05998	0.7
149.13278	2.1
151.03937	3.5
153.06985	0.4
157.06416	0.5
161.05995	5.1
162.03131	11.1
163.03914	14.5
163.14795	0.8
164.04688	4.3
167.14349	0.9
168.05724	1.8
169.06500	0.8
171.04439	1.3
171.08051	0.8
174.06757	0.5
174.99220	1.3
176.04643	0.4
177.05473	23.9
177.16357	0.4
178.05850	0.5
179.03378	2.3
181.04961	0.7
181.06470	0.6
182.07295	0.6
183.08022	0.9
184.05202	0.5
185.05963	2.1
186.06766	2.4
187.07558	2.1
188.08279	0.5
190.06236	0.4
191.17953	0.5
195.04459	0.4
196.05225	8.9
197.05962	1.4
199.03880	0.7
199.07579	2.4
200.08362	2.1
201.05470	0.6
203.03374	0.5
210.03096	0.4
210.06787	1.0
211.07564	9.0
212.08038	0.6
213.05394	2.7
214.06253	5.3
215.07019	5.8
223.04037	0.4
223.07433	0.6
224.04716	6.8
225.05458	1.8
227.03481	0.5
227.07042	6.1
228.07802	3.0
238.06242	2.7
239.07037	22.0
240.07681	1.4
241.04956	5.0
242.05746	1.5
243.10194	4.3
251.03394	0.4
251.06958	0.8
252.04170	2.8
253.05055	3.9
254.05734	0.6
255.06532	2.5
256.07321	6.8
257.07977	1.7
266.05801	3.5
267.06537	50.0
268.06964	2.4
269.04449	5.5
271.09589	1.7
281.04477	0.5
283.05994	2.3
284.06793	31.0
285.07394	1.4
295.06021	20.4
296.06778	5.1
297.07544	1.4
299.09152	100.0
300.09506	3.8
309.28061	1.7
311.05304	0.5
312.06299	5.3
327.08640	53.1
327.29163	0.7
328.08795	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01852	0.9
55.05511	5.7
57.07067	3.5
57.43574	0.7
61.63697	0.7
63.92816	0.7
65.03927	1.1
66.06306	0.7
67.05514	8.4
68.43509	0.7
68.92402	0.7
69.03417	1.4
69.07075	9.3
69.64748	1.3
69.65150	3.9
71.04974	1.1
71.08636	2.9
79.05512	5.7
81.07056	18.1
83.04990	0.9
83.08646	5.6
85.06523	1.5
85.10181	1.1
91.05474	5.2
92.02493	0.9
93.07056	8.9
93.65814	0.7
95.04977	0.8
95.08613	19.7
97.06547	2.1
97.10160	2.7
98.98473	100.0
99.08070	0.9
105.07040	6.1
107.08604	7.4
109.06554	0.8
109.10164	8.8
111.08121	1.3
111.11726	3.0
116.99496	1.3
117.06991	1.1
119.08606	4.3
121.10138	4.3
123.08046	1.3
123.11710	4.0
124.45842	0.7
125.09605	1.0
125.13303	0.8
125.42461	0.8
133.10124	4.3
135.11708	3.4
137.02348	1.7
137.05934	0.8
137.09642	2.2
137.13246	2.3
141.09068	0.7
143.08527	1.0
145.10139	1.2
147.11673	4.7
149.13232	3.6
151.14915	1.3
153.01857	3.0
155.10748	1.0
161.02350	1.8
161.13277	2.2
162.03131	9.2
163.14806	2.1
165.12744	1.9
173.13359	0.9
174.99252	10.3
175.14792	1.4
175.30626	0.8
177.05389	1.0
177.16371	0.9
180.77916	0.7
189.16377	2.1
203.17932	1.2
239.07088	1.2
241.05008	1.3
251.00011	1.3
255.03026	0.9
267.06589	2.4
268.03683	2.4
269.04343	1.8
273.25815	5.3
283.06055	1.0
284.06464	1.1
291.26810	2.8
296.03220	1.2
299.05869	1.5
299.09195	3.5
309.14639	1.4
309.27905	2.0
311.05508	1.9
312.03171	1.2
312.06329	6.7
327.04987	3.3
327.08627	15.6
327.12320	0.7
328.05737	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	327.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.0
55.05513	11.1
57.07091	6.2
67.05505	20.6
69.03458	1.3
69.06712	2.0
69.07070	24.9
69.34811	9.8
71.04980	2.2
71.08629	2.1
71.54743	1.2
79.05495	14.2
81.07060	76.9
83.08624	9.8
85.06547	50.0
91.05485	5.5
93.07048	21.8
93.69514	1.1
95.04969	2.0
95.08614	52.5
97.06533	4.7
97.10154	4.2
98.98472	100.0
99.08099	18.9
99.52428	1.3
105.07030	9.3
107.04952	1.6
107.08595	24.1
109.10164	27.0
111.08083	18.0
111.11739	3.5
111.32141	1.2
113.09629	2.7
114.30607	1.3
119.08578	5.0
121.10159	15.2
123.08061	1.2
123.11718	20.9
125.09637	2.7
127.11205	1.8
129.12807	1.2
133.10161	2.6
135.04434	1.8
135.11711	12.1
135.93661	1.1
137.06017	4.7
137.09634	1.3
137.13263	8.2
139.11217	2.2
141.12762	1.2
147.11676	3.6
149.13278	19.3
151.14865	2.1
161.06006	2.1
161.13306	1.7
162.03166	2.1
163.03920	4.6
163.14789	7.7
164.04765	1.3
165.16438	1.4
167.14340	4.0
174.99225	13.0
175.14812	1.3
177.05479	7.1
177.16415	7.6
181.15862	1.5
189.16322	1.7
191.17902	2.1
193.19516	1.8
195.17497	4.5
196.05313	2.8
213.18411	3.1
215.07094	2.2
217.19557	1.5
221.19295	1.2
227.06873	1.7
235.07481	1.2
239.06995	6.8
239.14085	1.6
242.05690	1.4
252.07901	1.5
256.07211	3.1
267.06509	10.2
273.25827	2.1
279.26804	1.9
284.06760	7.7
291.26797	8.7
295.06180	6.6
295.09055	1.7
296.06873	1.7
299.09146	29.0
309.11273	1.4
309.27823	12.9
327.08685	14.6
327.12488	3.4
327.28989	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	327.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05512	9.0
56.96566	6.6
57.03433	2.0
57.07064	3.4
59.61942	1.1
67.05512	11.6
69.07072	13.3
71.04996	1.3
71.58527	1.8
79.05502	7.6
81.03438	1.2
81.07063	36.4
83.08631	6.4
84.18649	1.0
85.06546	11.0
91.05469	5.1
93.07053	14.4
95.04983	1.9
95.08614	32.7
97.06543	3.0
97.10168	3.9
98.94380	1.1
98.97597	17.4
98.98465	100.0
99.08101	4.4
105.07050	5.0
107.08604	12.6
109.10159	17.3
110.97546	2.4
111.08081	2.4
111.11750	2.7
113.09644	1.4
116.98658	6.3
116.99403	1.9
119.08591	4.0
120.08112	4.4
121.10156	10.5
123.11704	11.6
125.09632	1.5
128.98624	1.9
133.10107	3.4
135.11690	7.0
137.05971	3.5
137.13260	3.9
137.14264	1.3
139.11212	1.8
147.11681	2.8
149.13274	8.8
151.03900	2.7
151.07518	1.3
151.14810	2.3
152.98587	1.8
155.67717	1.2
158.99673	4.3
159.11685	1.1
161.13242	2.6
163.14850	5.7
169.38942	1.2
170.99657	2.5
171.08086	1.6
174.99190	12.6
177.00711	2.8
177.05487	1.7
177.16396	2.5
197.19012	1.2
217.19554	1.3
219.01752	1.8
237.02927	2.3
267.06586	2.2
273.25903	1.3
277.08517	1.4
291.19669	1.3
291.26755	4.6
299.09186	2.3
309.27908	3.5
325.77805	1.3
327.05069	1.7
327.08527	6.5
327.12341	3.5
327.17725	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	327.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.2
55.01873	2.2
55.05513	8.8
57.03416	1.3
57.07079	4.4
59.04993	1.4
65.03942	0.7
67.05511	13.7
69.03432	1.9
69.07074	16.8
69.28317	5.9
71.04990	2.9
71.08669	0.7
79.05494	6.5
81.03451	1.1
81.07063	30.1
83.04983	1.6
83.08624	7.0
85.06556	8.2
91.05491	4.8
93.07047	13.5
95.04987	1.4
95.08615	30.4
97.02924	0.9
97.06521	4.4
97.10163	4.1
98.98474	100.0
99.04462	0.8
99.08112	4.6
105.07030	4.9
107.08607	11.9
109.02908	0.8
109.06506	1.6
109.10169	12.7
111.04411	0.7
111.07336	1.3
111.08076	12.0
111.11746	2.0
116.99522	1.9
119.08572	3.2
120.08136	0.9
121.10143	7.5
123.08077	1.8
123.11717	7.8
125.09634	2.3
127.11170	0.8
131.08591	1.0
133.10175	2.1
135.11687	3.5
137.05980	2.2
137.09628	1.1
137.13278	5.1
139.11118	0.7
147.11697	1.8
149.09550	0.9
149.13290	11.2
151.03943	1.2
153.12726	0.7
156.47533	0.7
157.10178	1.1
159.11697	0.9
161.13184	0.8
162.03142	1.7
163.11212	0.7
163.14798	3.4
167.14322	2.1
174.99243	10.4
175.14914	0.9
177.16415	2.0
189.16484	0.9
191.17973	1.1
209.19019	1.5
235.07539	1.2
237.47066	0.7
239.07042	1.1
241.09546	2.8
250.99997	1.7
251.07784	1.1
267.06390	1.7
273.25906	1.1
279.26962	1.8
281.04605	1.3
281.08176	1.6
283.10550	2.7
291.19589	1.3
291.26727	3.8
295.06140	0.9
295.09647	1.3
296.06909	1.6
297.27939	1.6
299.09171	1.4
309.27942	8.6
310.14694	1.0
311.05539	1.2
312.06186	0.8
327.05109	1.5
327.08661	5.8
327.12451	3.3
327.17139	0.9
327.23212	0.9
327.28906	2.4
328.05817	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01859	1.4
55.05519	4.5
56.96558	0.8
57.07066	2.8
59.05001	1.0
65.03931	1.0
65.37704	0.7
67.05503	8.9
69.00448	0.6
69.07072	4.9
69.30366	6.1
71.04984	1.0
79.05499	5.9
81.03428	0.8
81.07072	11.4
83.05000	1.2
83.08626	1.6
85.06516	0.8
91.05483	17.5
93.06461	1.5
93.07047	21.7
95.04978	20.8
95.08613	14.6
95.09222	0.8
97.06527	4.6
98.98471	100.0
103.05476	1.3
105.04495	0.8
105.07035	16.1
107.08609	13.2
109.06496	3.2
109.10197	5.9
111.08059	1.0
115.05444	1.4
116.99512	1.6
117.07037	5.2
119.08589	17.2
121.06490	4.2
121.10140	10.6
122.07278	0.7
123.08090	3.8
123.11713	2.1
128.06229	2.5
129.07031	2.9
130.07809	1.5
131.08589	9.3
133.10135	12.9
135.08075	3.4
135.11710	3.6
137.09679	1.8
141.06995	2.2
142.07803	2.9
143.08554	6.5
144.09387	1.7
145.06531	1.0
145.10129	12.0
147.08084	1.5
147.11714	4.4
149.09627	2.0
149.13290	1.6
151.03915	1.8
153.06995	0.8
154.07820	1.1
154.78613	0.7
155.08582	2.5
156.09387	1.7
157.10144	10.6
158.10904	1.5
159.08044	1.5
159.11696	10.6
161.09639	4.6
161.13171	1.3
163.03888	1.3
163.11200	1.0
165.07008	1.3
167.08611	1.6
169.10126	5.7
170.10965	1.1
171.11771	3.9
172.12610	0.8
172.94347	1.0
173.09668	0.8
173.13316	4.7
174.99214	11.2
175.03915	1.4
175.11227	0.9
175.14803	5.7
177.05481	1.4
179.08522	1.9
180.09439	1.0
181.10138	1.9
183.11719	4.3
185.05995	0.9
185.13300	2.1
187.11208	1.4
187.14832	5.2
189.12701	1.0
190.95406	0.8
193.10185	1.2
194.10925	0.9
195.11722	1.8
197.13255	3.7
199.14943	3.3
201.16435	2.4
203.06975	1.2
205.15974	1.1
207.11877	1.1
209.13252	2.7
211.07658	1.4
211.14870	2.1
213.16432	1.4
215.14374	1.3
217.15825	1.5
219.48636	0.7
219.73921	0.7
221.13263	1.7
223.14891	0.9
225.16402	1.7
227.14275	0.9
227.18227	0.7
231.19832	0.7
232.96553	0.8
235.07753	0.7
235.14774	1.1
239.07031	1.5
239.18033	1.0
251.00108	1.0
253.05075	1.5
253.08601	3.3
253.15996	1.5
253.19484	0.8
255.06560	1.1
256.07297	0.8
267.06564	2.3
271.09656	1.3
281.04514	2.9
281.22723	1.0
283.06116	1.1
284.06735	1.4
291.10251	1.2
291.21106	1.4
296.06769	4.3
299.09085	6.3
309.11243	3.0
309.14725	1.1
309.22324	1.8
309.25732	0.8
311.05487	2.2
312.06143	0.9
327.08612	19.0
327.12601	1.5
327.19574	1.0
327.23065	7.9
327.26666	1.4
327.34290	1.3
333.71671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01874	1.0
55.05513	4.1
56.58669	0.9
57.07076	1.8
65.03938	1.8
66.91479	0.9
67.05511	14.0
69.07071	11.9
69.25130	3.5
69.25550	5.7
71.05000	1.6
77.03949	3.0
79.05502	11.8
81.03454	1.5
81.07058	12.4
83.08624	2.9
84.82301	1.0
85.06514	1.2
85.79276	0.9
91.05490	14.8
93.07054	29.1
95.04973	31.3
95.08025	0.8
95.08611	21.4
97.06506	6.2
98.21497	2.1
98.98474	100.0
103.05509	1.8
105.04518	2.3
105.07037	26.0
107.05006	1.5
107.08602	19.7
109.06524	4.8
109.10164	8.9
111.08085	1.1
115.05483	1.0
116.99513	1.2
117.07050	7.1
119.08585	26.6
121.06503	8.3
121.10157	15.5
123.08033	5.0
123.11727	3.6
124.17973	1.2
128.06232	2.2
129.07021	4.8
130.07811	1.8
131.08588	13.0
133.06523	1.4
133.10138	18.6
135.04430	1.5
135.08067	5.2
135.11690	5.8
137.05975	2.2
137.09627	2.2
138.77429	1.0
141.06987	1.3
141.59671	1.2
142.07750	5.0
143.08542	9.4
144.09354	2.8
145.06451	1.2
145.10133	17.6
146.07355	1.0
147.08049	1.8
147.11681	8.8
149.09676	1.4
149.13260	1.9
151.03947	2.8
152.06218	6.8
153.06999	4.7
155.08569	4.1
156.09343	2.4
157.10149	13.8
158.10931	2.4
159.08124	1.3
159.11702	15.4
161.09625	7.2
161.13292	3.7
167.08643	1.7
168.05685	2.2
168.09293	1.2
169.10089	7.2
170.10950	2.2
171.11679	6.1
172.12445	1.9
172.94476	1.5
173.09665	1.4
173.13295	6.5
174.99239	10.2
175.11304	1.8
175.14806	8.8
179.08511	1.7
181.10149	1.5
182.10986	1.8
183.11688	4.5
185.13268	4.5
187.11253	2.0
187.14862	4.9
189.12819	1.5
189.16447	1.8
193.10165	2.7
194.10764	0.9
195.11710	2.7
196.12515	1.9
197.09787	1.0
197.13272	4.4
199.14833	4.2
201.16405	2.2
209.13283	3.8
211.14839	2.7
213.16428	1.7
215.02652	1.1
215.14531	1.1
217.15897	2.0
221.13374	1.3
223.14830	1.7
225.16490	1.9
227.07155	1.1
227.14346	1.5
228.09398	1.7
233.03526	6.7
235.14865	2.3
239.06905	1.6
239.17715	1.0
243.06435	1.1
251.00060	1.3
251.04716	4.3
253.08768	1.9
253.15874	2.1
253.19650	1.3
265.19635	1.5
267.06445	2.1
269.04272	1.9
271.20581	1.1
281.04358	1.4
281.07837	1.1
284.06686	1.5
296.06732	1.2
299.09229	6.8
309.22153	3.3
311.05695	1.2
327.08105	29.0
327.12286	1.4
327.15985	1.2
327.23206	8.7
327.26703	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	327.1594
Annotation	Spiranthol C
Peak:m/z	Relative Intensity
56.56976	0.5
59.54357	0.5
69.07069	1.3
69.83654	1.2
69.84048	1.3
72.11855	0.5
76.85201	0.4
81.07072	0.9
83.01378	0.4
90.09230	0.4
91.05486	75.6
93.07045	0.5
95.08572	0.5
97.33592	0.5
98.98474	33.2
105.07043	1.9
117.07037	0.5
119.08585	0.6
131.08646	0.6
135.04442	0.6
141.06981	1.2
143.08604	0.7
147.04417	1.3
149.02361	0.6
155.08566	0.6
157.06525	1.1
167.08693	0.8
169.10127	0.5
171.08090	0.9
174.99260	3.8
175.03912	11.4
178.07814	1.0
179.08533	4.1
183.08032	0.5
189.05544	0.5
191.07066	0.7
197.09604	1.4
199.07568	2.2
207.08112	3.2
209.09613	0.6
210.06802	1.0
211.07663	2.4
214.15010	0.5
225.09103	7.3
225.11113	0.7
227.10651	2.7
235.07532	4.9
241.08606	1.0
251.07120	0.7
253.08615	100.0
254.09117	1.1
267.06366	0.6
271.09692	10.7
283.17020	1.4
299.09250	1.3
299.12775	0.7
309.14871	45.2
327.08578	3.7
327.15872	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	327.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01876	10.6
55.05518	6.0
56.96564	2.2
57.03411	0.9
57.07084	1.8
58.02278	0.8
66.12321	0.7
67.05508	9.3
69.03430	1.8
69.07075	12.0
69.28101	3.5
69.28531	3.5
71.04984	3.5
78.04715	0.8
79.05498	9.9
81.03434	1.4
81.07065	20.6
83.04990	4.3
83.08626	3.5
85.02907	1.4
85.06567	5.0
91.05482	8.5
93.07051	7.9
95.04991	3.6
95.08617	12.4
97.06540	9.9
97.10194	2.4
98.97597	6.5
98.98473	100.0
99.04459	1.1
99.08094	1.6
105.07031	8.7
107.04958	1.7
107.08594	9.5
109.06518	4.3
109.10160	6.1
110.97585	0.7
111.04453	1.3
111.08064	2.2
111.11707	1.3
113.06007	3.1
113.09654	0.7
115.05429	1.0
116.98612	2.6
116.99518	1.7
117.07021	2.7
119.08604	6.9
121.06514	2.9
121.10135	4.4
123.08075	4.8
123.11733	3.5
125.06052	0.9
125.09637	19.1
128.06248	0.8
128.98645	1.0
129.07036	2.2
131.08589	5.3
133.06471	1.0
133.10146	8.0
135.08052	2.0
135.11710	3.3
137.05998	2.6
137.09627	3.1
137.13310	1.6
139.11182	2.6
140.01112	1.1
141.07112	0.9
143.08545	4.0
145.10117	1.2
147.08072	1.2
147.11707	2.4
149.05998	1.0
149.09622	3.0
149.13281	2.8
151.07578	1.4
151.11200	3.8
152.98753	0.9
157.10143	4.1
158.99681	1.4
159.11711	3.0
161.05966	1.4
161.09631	8.3
161.13249	1.0
163.14857	1.0
167.10728	3.1
169.10066	1.0
170.99709	0.9
171.11780	1.0
173.13281	1.2
174.99243	10.7
175.11162	3.8
177.00711	1.3
177.05453	1.0
177.12828	1.2
179.07077	1.4
179.10680	7.2
185.13219	1.0
193.12267	1.7
203.10709	2.6
207.08150	1.3
221.11725	2.4
227.17949	1.0
237.16531	1.0
249.18645	1.4
251.00029	1.0
255.17509	2.2
256.06747	1.7
269.04468	2.8
272.11661	0.7
273.18549	4.9
282.01559	1.0
291.19629	3.1
291.27057	1.0
295.09839	0.8
297.04028	2.6
299.05600	3.1
299.09070	1.8
306.07523	1.1
309.27881	1.5
318.03070	0.7
327.04953	6.0
327.08716	4.9
327.12177	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0866
Annotation	5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
50.93740	0.3
53.03934	0.7
53.85753	0.4
55.01857	0.4
55.05487	1.0
57.07055	0.4
60.42639	0.3
67.05476	1.5
68.99776	1.3
69.07076	2.2
70.19246	1.3
79.05458	1.0
81.07065	2.8
83.08577	1.1
85.06528	0.9
91.05443	0.8
93.07023	1.5
95.04953	0.9
95.08613	3.0
97.06481	0.7
97.10158	0.4
98.98471	14.0
105.07041	0.6
107.04910	1.3
107.08594	1.8
107.28130	0.4
109.10127	1.2
111.08089	2.0
115.05431	0.4
121.02880	0.6
121.06514	1.8
121.10135	1.1
123.11728	1.0
125.09593	0.4
134.03654	2.8
135.04414	5.6
137.05975	1.5
149.02342	3.9
149.13239	1.3
151.03934	3.6
153.07008	0.5
157.06453	0.4
161.05994	3.9
162.03133	11.3
163.03920	13.8
164.04694	3.9
168.05711	2.0
169.06404	0.9
171.04372	0.9
174.99161	1.4
177.05475	22.2
178.05760	0.5
179.03398	1.9
182.07330	0.6
183.08101	1.2
184.05153	0.5
185.06015	2.3
186.06787	2.8
187.07573	2.2
188.08322	0.5
190.06255	0.6
196.05199	8.1
197.05981	1.1
199.03876	0.8
199.07549	1.7
200.08310	1.4
203.03410	0.7
210.06691	1.0
211.07553	8.5
213.05385	2.4
214.06264	5.3
215.07021	6.0
223.03764	0.5
224.04691	7.1
225.05548	1.8
227.07036	5.5
228.07782	2.4
238.06256	1.7
239.07048	23.3
240.07637	1.1
241.05002	5.0
242.05707	1.3
243.06561	0.6
243.10159	4.2
251.07045	0.7
252.04185	2.7
253.04964	4.0
255.06572	1.3
256.07321	6.5
257.08029	1.1
266.05716	3.1
267.06528	49.3
268.07062	1.4
269.04465	4.9
271.09692	1.3
282.05145	0.4
283.06012	2.3
284.06802	30.2
285.07327	1.0
294.05276	0.6
295.06021	18.2
296.06842	3.4
297.07547	1.0
299.09155	100.0
300.09390	1.8
309.27908	0.7
312.06241	5.4
327.08646	50.8
328.08984	1.1
343.06937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0866
Annotation	5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
51.87444	0.6
53.03951	0.8
55.05515	2.4
57.07059	0.8
61.08834	0.6
67.05511	4.6
68.99800	1.2
69.07063	4.1
71.57922	0.6
79.05493	3.6
81.07064	13.5
83.04994	1.1
83.08638	1.3
85.06547	6.4
91.05489	1.9
93.07062	4.0
95.04971	1.1
95.08610	9.0
97.06543	0.7
97.10168	1.1
98.98474	50.1
99.08092	2.3
105.07041	1.7
107.04970	2.1
107.08580	4.3
109.10157	4.1
111.08070	1.5
111.11721	0.8
119.08611	1.0
121.02913	0.9
121.10149	3.7
123.11732	2.5
133.10175	0.9
134.03638	2.5
135.04431	6.6
135.11697	1.7
137.05986	5.4
137.13284	1.4
139.11215	1.0
149.02383	4.4
149.13283	3.4
151.03891	5.0
159.11696	0.9
161.06036	3.6
161.76779	0.7
162.03134	11.0
163.03932	13.2
163.14821	1.0
164.04688	4.2
168.05754	1.6
171.04446	1.3
174.99284	5.5
177.05479	25.4
177.16409	1.2
179.03427	2.2
181.04945	1.3
183.07971	1.2
185.06029	2.6
186.06807	2.6
187.07579	2.2
196.05185	8.7
197.05908	1.1
199.03912	1.2
199.07506	1.4
200.08284	1.6
201.05399	0.8
211.07581	10.1
213.05530	3.0
214.06253	5.1
215.07034	5.6
224.04691	7.7
225.05536	2.0
227.07094	6.1
228.07797	3.0
238.06279	1.6
239.07042	20.2
241.04958	4.2
242.05840	0.7
243.10144	6.8
251.07079	1.5
252.04100	3.8
253.04971	4.5
255.06651	1.5
256.07339	5.3
257.08215	1.6
266.05795	2.1
267.06543	52.5
268.07135	1.0
269.04428	5.4
271.09671	1.8
277.08777	0.8
279.26807	0.8
281.07974	0.8
283.05975	1.8
284.06802	34.2
285.07608	0.8
291.26627	1.5
295.02835	1.5
295.06058	19.0
296.06805	3.1
297.07523	0.9
299.09161	100.0
300.09457	1.6
309.27875	1.3
312.06323	5.6
327.08646	57.9
327.29044	1.1
328.08734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0864
Annotation	5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
51.72498	0.3
55.01860	0.4
55.05491	1.1
57.03415	0.3
57.07063	0.7
65.03927	0.3
67.05484	1.3
68.99779	0.9
69.03397	0.5
69.07061	1.7
71.56207	0.4
74.33843	0.3
79.05493	1.7
81.07063	4.8
83.08591	0.6
85.06554	2.7
86.98198	0.4
91.05463	1.2
93.07059	2.4
95.04943	1.0
95.08597	3.7
97.06515	0.4
97.10132	0.4
98.98466	21.4
99.08086	0.9
103.05461	0.4
105.07021	1.3
106.04105	0.4
107.04934	0.9
107.08605	1.8
109.10126	1.4
111.08078	1.2
111.11769	0.3
116.05684	0.3
121.02859	0.8
121.06512	0.3
121.10124	0.9
123.11676	1.2
125.09602	0.6
131.08563	0.5
133.02815	0.6
133.10089	0.7
134.03650	3.0
135.04417	6.5
135.11658	0.8
137.05951	1.7
137.13283	0.5
147.04391	0.4
147.11621	0.4
148.05186	0.6
149.02339	3.7
149.06046	0.4
149.13229	1.5
151.03900	3.7
152.06201	0.3
153.06989	0.3
159.08038	0.4
161.05981	4.7
162.01749	0.6
162.03120	12.2
163.03908	13.9
163.14799	0.4
164.04701	4.2
168.05676	1.7
169.06450	1.3
171.04440	1.3
173.02354	0.4
173.06000	0.4
174.06732	0.7
174.99265	1.9
177.05479	24.2
179.03369	2.2
181.04961	0.7
182.07291	0.7
183.08064	1.2
184.05197	0.5
185.06010	2.3
186.06754	3.1
187.07558	2.1
188.08443	0.5
189.05502	0.7
195.07967	0.5
196.05206	11.0
197.05989	1.4
198.06677	0.4
199.03903	0.8
199.07611	1.8
200.08298	1.8
203.03384	0.6
207.04514	0.4
208.05194	0.4
210.06747	1.2
211.07556	9.3
213.05490	3.3
214.06230	5.3
215.07072	5.7
217.04886	0.4
223.03918	0.5
224.04697	7.7
225.05519	2.2
227.07034	6.7
228.07759	3.0
238.06332	2.0
239.07028	27.7
240.07835	1.1
241.04958	5.0
242.05779	1.3
243.10132	4.6
251.03343	0.4
251.07013	1.0
252.04169	3.2
253.04922	3.8
254.05756	0.5
255.06555	1.7
256.07303	7.3
257.08072	1.1
266.05719	4.0
267.06528	54.3
268.06973	1.8
269.04468	5.0
271.09634	1.1
278.36090	0.4
281.04639	0.4
281.08078	0.7
282.05353	0.4
283.05942	2.3
283.08990	0.5
284.06793	31.0
285.07382	1.3
291.26910	0.5
294.05206	0.6
295.06039	21.0
296.06799	3.7
297.04395	0.4
297.07666	1.4
299.09146	100.0
300.09573	1.7
309.07495	0.6
309.27914	0.7
310.08115	0.4
311.05276	0.4
312.06271	5.3
327.08633	49.4
328.08984	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0864
Annotation	Milletenin C
Peak:m/z	Relative Intensity
55.05508	0.7
56.96577	1.1
58.81446	0.5
67.05531	1.2
69.07067	0.9
71.11950	1.1
79.05482	1.3
81.07047	1.3
83.08633	0.9
91.05479	1.5
92.97531	0.7
93.07061	1.6
95.04980	1.1
95.08585	1.1
98.98473	100.0
105.07053	1.7
107.08615	1.2
109.10176	1.0
115.05449	1.1
116.99525	2.3
119.01767	0.6
119.08608	1.1
121.02882	0.7
121.06545	1.5
131.08548	0.7
135.04454	1.2
135.08098	0.6
136.62445	0.6
137.02385	0.7
137.05983	1.8
137.65788	0.7
141.07004	1.3
142.04190	0.9
145.10103	1.2
147.04480	0.9
148.05241	1.0
149.02371	0.9
151.03914	2.1
151.07603	0.7
161.02380	2.0
162.03140	35.5
167.03491	0.8
168.05647	0.7
169.06529	1.3
170.03612	2.9
171.04417	0.7
172.94414	0.8
174.99265	12.0
177.05492	1.7
183.04494	2.0
185.05916	1.3
189.01869	0.8
196.05251	0.8
197.06006	1.4
198.03102	1.3
198.06741	1.5
200.04749	2.2
205.04982	12.8
210.03175	1.5
211.07643	1.1
213.05516	1.9
214.06216	0.8
215.07085	0.7
224.04723	1.1
225.02124	0.7
225.05492	4.0
226.02721	2.3
226.06248	5.4
227.07121	1.3
228.04405	0.9
238.02661	2.3
238.06273	2.3
238.98863	0.7
239.03433	1.3
239.07034	1.0
240.04253	0.8
241.04941	1.4
241.08638	1.1
251.00031	2.2
253.04919	4.2
254.02092	9.5
254.05669	3.6
255.06529	1.4
256.03638	2.2
266.02185	6.2
266.05676	1.0
267.02917	2.2
267.06558	1.6
269.04474	25.1
269.07950	2.4
271.05988	1.9
271.09485	1.9
281.04495	4.4
282.01633	24.8
282.05151	2.7
283.03024	1.0
283.06082	5.4
284.03342	1.3
284.06760	1.8
294.05453	0.8
295.02686	1.1
295.05981	14.0
296.06775	2.1
297.03989	45.9
297.07416	3.2
298.04703	2.3
299.05560	6.8
299.09222	4.5
309.07315	0.9
309.11249	0.8
311.01852	2.2
311.05560	5.5
312.02698	21.3
312.06366	29.0
327.05023	80.9
327.08731	92.2
328.05475	1.3
328.09103	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	327.0501
Annotation	2-Hydroxyflemichapparin C
Peak:m/z	Relative Intensity
51.39799	0.5
70.82000	1.1
70.82376	1.4
79.05438	0.5
79.70570	0.6
91.05476	1.2
95.08591	0.7
98.98473	42.7
104.74297	0.6
107.04958	0.7
111.12888	0.6
115.05473	2.1
118.32719	0.6
121.06502	1.6
139.05449	0.8
141.06999	1.2
151.03931	1.7
152.06210	0.8
157.06422	0.7
161.02350	3.4
162.03120	37.2
168.05698	0.7
169.06512	1.3
170.03653	2.7
174.99217	4.6
181.06569	0.9
183.04376	1.0
189.01839	0.9
196.05217	1.0
197.06036	2.1
198.03139	1.5
198.06801	1.4
200.04692	1.9
205.04964	0.7
210.03088	1.6
211.04002	0.9
213.05472	1.8
214.06230	1.2
215.07115	0.8
225.05495	3.8
226.02646	3.2
226.06223	6.1
227.07014	1.4
228.04169	1.6
237.05618	1.0
238.02530	2.1
238.06270	2.0
239.03389	1.8
239.07086	0.7
240.04153	1.3
241.04929	1.3
241.08665	0.7
250.97754	0.7
251.00140	1.0
253.04999	5.0
254.02119	10.2
254.05745	4.1
255.06593	1.4
256.03717	2.3
266.02139	5.9
266.05518	1.4
267.02945	2.4
267.06500	1.1
267.10254	1.0
268.03842	0.7
269.04465	25.0
269.08060	3.2
271.06079	2.0
271.09525	1.3
280.03818	1.0
281.04465	2.5
281.98477	1.3
282.01642	26.3
282.05200	3.6
283.05997	6.0
284.03415	1.2
284.06699	0.9
294.39877	0.6
295.02496	1.8
295.05991	17.4
296.06863	1.3
297.03979	46.0
297.07434	4.0
298.04642	2.9
299.05518	6.1
299.08994	1.5
311.01877	1.7
311.05521	7.5
311.98862	1.0
312.02652	22.7
312.06323	30.8
327.04977	84.1
327.08679	100.0
328.05396	0.9
328.08929	1.4
347.01636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03936	3.6
53.91470	2.5
55.05515	23.7
57.07066	9.9
63.27849	2.4
67.05176	2.9
67.05505	40.6
67.53579	2.4
69.03429	2.5
69.07070	40.3
69.80261	15.0
71.05000	3.5
71.08593	2.4
79.05499	33.7
81.07063	100.0
83.08616	19.8
85.06546	18.7
86.93830	2.5
91.05482	20.7
92.26678	2.7
93.07048	41.5
95.04945	3.0
95.08613	90.7
97.06531	7.2
97.10172	12.9
98.20780	3.3
99.08089	9.6
105.07040	23.1
107.08604	36.9
109.06495	6.2
109.10159	48.1
111.08085	7.3
111.11726	8.1
113.09608	3.7
117.07021	3.8
119.08591	23.5
121.06565	4.2
121.10143	31.0
123.08045	6.7
123.11717	30.4
124.07579	4.1
125.09631	6.1
131.08549	6.5
133.02861	6.8
133.10159	22.4
135.11705	27.1
137.05879	3.5
137.09612	9.1
137.13240	8.4
139.11154	8.1
141.08994	2.7
145.10123	11.9
147.11710	18.4
149.13281	24.7
153.12784	4.1
155.10675	5.5
159.11690	7.6
161.13263	13.8
163.14857	9.2
165.12727	8.4
173.13293	6.9
175.14830	7.5
177.16374	7.1
179.14229	2.6
179.17934	4.2
187.14882	3.6
189.16418	6.1
190.04985	6.0
191.90546	2.7
201.16479	3.1
207.17502	3.8
215.17961	7.9
229.19623	3.2
231.21054	2.9
233.05971	5.7
233.19083	3.4
259.24329	3.3
265.08527	5.6
271.24319	13.9
277.25366	6.2
278.05392	3.2
289.25262	30.2
295.26239	2.8
307.09671	6.0
307.26294	15.6
325.07056	3.6
325.10913	4.0
325.16565	12.4
325.27380	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	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03938	2.9
55.01861	3.7
55.05297	1.9
55.05516	22.5
57.03443	3.3
57.07071	7.8
57.56813	1.8
61.09540	1.7
64.38989	2.0
67.05510	28.9
67.36776	1.7
68.50105	1.7
69.03448	2.0
69.07070	85.3
70.17414	1.7
70.73851	4.7
70.74203	2.3
71.04987	3.7
73.07330	1.8
74.85409	2.0
77.03968	1.8
79.05495	23.6
79.69756	1.7
81.07059	100.0
83.04971	10.5
83.08624	15.0
85.06548	12.3
91.05477	17.0
93.07042	39.3
95.04964	20.8
95.08613	62.6
95.09234	2.6
96.85627	2.4
97.06536	8.2
97.10182	6.5
98.97562	2.5
99.08092	12.6
105.07030	23.2
107.05006	2.9
107.08604	35.3
109.06544	4.8
109.10153	35.9
111.08090	6.0
111.11724	19.8
113.09637	2.8
117.07016	2.0
119.08587	16.1
121.06498	3.8
121.10149	25.6
123.11703	22.7
125.09628	3.6
125.13244	1.7
129.07045	2.1
129.24742	2.2
131.08562	4.9
133.02876	8.0
133.10141	13.6
135.08060	2.1
135.11687	32.6
137.06010	3.2
137.09596	4.1
137.13281	6.2
139.11212	14.9
145.10115	5.4
147.11665	10.6
149.13274	14.4
151.14804	3.3
153.12756	17.7
155.10609	2.3
157.10043	2.2
159.11681	4.4
161.13335	8.8
163.03845	2.3
163.07838	2.0
163.14832	5.0
165.12787	7.2
167.14268	2.6
173.13235	2.7
175.14795	3.6
177.16344	8.7
179.14232	2.0
179.17897	1.9
187.14880	2.8
189.16365	2.3
190.83313	2.1
195.17465	4.7
201.16348	3.2
213.18494	2.9
227.20050	3.9
239.20161	2.2
271.24182	6.3
277.25476	2.7
289.25272	14.2
295.26355	2.4
302.50015	2.4
307.09647	2.4
307.26300	9.8
325.10965	2.1
325.16354	2.7
325.27341	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	325.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13339	2.5
55.05511	20.1
56.96555	3.9
57.07085	6.6
67.05510	32.4
69.03438	3.4
69.07072	40.2
69.35277	20.1
71.04983	3.2
71.08628	4.0
78.05813	2.7
79.05495	28.8
81.03432	3.5
81.05786	3.7
81.07063	76.6
82.06577	5.5
83.04953	5.5
83.08620	17.8
85.06539	16.1
89.02429	2.6
89.03922	8.7
91.05499	19.1
93.07049	44.2
94.06568	5.3
95.04979	5.3
95.08617	76.1
95.09231	3.7
96.08143	14.1
97.06543	6.0
97.10165	12.9
98.97597	7.9
99.08084	7.1
105.07027	23.9
106.06517	5.1
107.08600	34.2
108.08128	10.8
109.06534	4.6
109.10156	41.6
111.08078	13.6
111.11732	5.2
113.09624	3.5
116.05000	17.2
119.04913	3.5
119.08582	19.8
120.08159	3.6
121.10146	31.1
122.06017	12.6
123.08051	7.2
123.11725	24.3
124.07598	46.8
125.09620	5.5
131.08575	10.1
133.02853	9.8
133.10143	18.1
135.11746	21.9
136.07594	12.5
136.31126	2.6
137.06029	3.8
137.09599	5.1
137.13298	8.1
139.11179	5.3
144.04463	14.6
145.10150	6.7
146.06023	4.2
147.11697	15.6
148.07536	3.3
149.06079	3.0
149.13303	17.2
151.11197	3.9
152.07100	8.0
153.12775	4.1
159.11688	6.3
161.13269	12.1
163.14798	8.9
165.05496	2.5
165.12753	5.0
167.14507	3.3
172.03975	14.4
173.13260	4.1
174.05560	4.2
175.03819	2.5
175.14844	9.2
177.05533	2.7
177.16483	2.9
187.14859	3.7
189.16405	7.2
190.05002	73.6
190.74992	3.5
201.05460	5.9
205.06541	6.8
215.18048	3.8
222.06725	3.8
233.05901	3.8
249.10100	2.9
250.06287	3.2
271.24219	10.0
277.25381	5.3
279.11243	6.1
289.25220	20.9
293.08151	5.2
297.12463	14.4
299.53656	2.8
301.74902	2.7
307.09879	7.1
307.26376	7.7
325.07120	6.0
325.11749	34.9
325.16217	100.0
325.19699	3.6
325.27444	8.3
326.16531	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	325.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.1
56.96577	3.3
57.03432	2.9
59.05007	2.3
67.05509	31.6
69.03448	4.4
70.49089	6.2
71.04994	100.0
71.87867	1.6
81.03421	3.1
81.07056	4.6
83.08627	1.7
85.02913	11.6
85.06522	4.3
97.02869	1.8
97.99615	2.0
109.10168	27.2
117.09119	5.7
119.04959	4.6
127.03915	2.3
127.11193	74.5
145.07639	5.9
145.12242	32.6
147.04407	18.2
163.03922	14.8
163.08641	5.3
163.13301	31.3
168.46469	1.9
213.67482	1.8
235.97572	1.8
243.39598	1.7
289.12180	1.9
306.81210	1.8
307.12863	4.2
325.13858	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	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03934	3.6
55.01873	2.4
55.05264	1.2
55.05514	19.2
56.96553	2.1
57.07067	6.1
57.70618	1.2
59.04989	3.6
65.03931	1.3
67.05508	17.0
69.03414	2.0
69.07071	100.0
70.95452	3.0
71.04984	3.5
79.05064	2.0
79.05496	26.5
79.69503	1.1
81.03391	1.7
81.07061	73.7
83.04987	5.5
83.08641	8.5
85.06542	12.6
85.23956	1.0
91.05484	10.3
93.06460	2.1
93.07043	29.3
95.04984	7.9
95.08609	37.9
97.06540	8.4
97.10170	4.7
98.97581	3.6
99.08109	7.8
101.06009	1.2
103.05433	1.2
105.07038	12.8
107.08598	30.3
108.02479	1.1
109.06497	3.5
109.10155	25.5
111.08053	4.5
111.11727	24.6
113.09665	1.1
116.98619	1.0
117.07021	1.0
119.08578	11.1
121.10140	15.2
123.08045	2.1
123.11723	15.4
125.09646	1.8
125.51719	1.1
127.11225	1.1
129.12746	2.3
131.08575	4.0
133.02863	4.1
133.10153	9.9
135.11703	36.5
137.05997	2.6
137.09601	2.3
137.13252	3.7
139.11176	17.2
143.08464	1.1
145.10103	4.9
147.11697	6.4
149.13278	6.9
151.07507	1.4
151.11183	3.4
151.14883	1.5
153.12750	20.7
157.12231	2.4
159.11685	5.0
161.13257	4.5
163.03894	2.0
163.14816	2.9
165.06976	1.4
165.12752	1.2
173.05925	1.3
173.13216	1.6
176.06244	1.3
177.12837	1.2
177.16385	2.2
187.14784	2.1
189.16345	1.8
194.07257	1.9
201.05478	3.6
205.06500	4.8
213.18480	1.1
215.18040	1.3
221.06003	1.9
222.06711	3.5
227.20036	3.6
228.23488	1.2
233.05943	3.4
237.09056	2.1
239.19968	3.1
246.89842	1.4
249.05278	2.1
250.06146	2.2
264.07849	1.2
265.08691	5.7
271.24200	2.2
279.09943	1.2
289.25238	4.9
292.07297	2.6
293.08011	5.2
295.26346	2.6
297.11365	2.1
307.09589	8.1
307.26324	7.3
310.08780	1.2
325.06995	4.0
325.10736	7.5
325.19696	1.4
325.27365	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	325.1436
Annotation	6-Carboxy-5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
51.60443	0.8
55.01854	1.1
55.05500	1.9
56.96553	2.0
57.07059	3.5
65.03920	2.0
67.05501	2.0
69.07063	2.4
70.06588	1.5
71.08587	0.9
71.27406	1.0
71.27745	2.2
79.05485	2.3
81.07053	3.2
84.02384	0.9
88.07620	1.3
91.05486	95.8
93.07021	2.8
95.04944	1.6
95.08598	1.8
102.09177	1.5
103.05475	5.2
105.03385	2.9
105.07024	12.7
107.04951	1.3
107.08615	0.9
109.10148	1.2
115.05402	3.1
117.07059	1.0
119.08557	2.8
121.06544	1.7
121.10190	1.0
129.06998	1.4
131.04939	6.4
131.08545	1.1
133.06502	1.1
137.05994	2.4
141.06973	2.3
143.08501	1.3
145.06508	0.9
148.05257	1.0
149.02298	3.9
149.06032	2.4
153.06990	2.6
155.08495	1.8
157.10251	1.2
159.04451	5.1
159.11630	1.8
161.05971	2.4
161.09578	1.0
163.07494	1.1
165.01964	1.0
165.06995	5.7
166.07782	10.8
167.08563	1.7
169.06523	1.1
171.11717	1.2
175.07527	2.4
177.05574	4.3
178.07825	5.8
179.08575	8.0
181.10141	10.3
182.27826	0.9
183.07997	1.9
183.11610	1.0
188.08293	1.3
189.05482	20.7
189.06934	0.7
189.09108	5.4
190.07762	3.3
191.08551	8.6
193.04982	7.2
193.10083	2.4
194.07249	6.5
195.07936	1.4
196.08801	2.0
201.09114	5.6
203.07080	5.6
203.10669	1.3
207.06383	1.4
207.08061	3.0
208.08797	1.0
209.09561	9.5
210.64081	3.0
211.11179	2.0
213.09140	1.1
216.07806	1.5
217.20772	1.0
219.08051	5.6
221.09634	2.2
222.06799	1.3
223.07671	1.0
224.08334	3.5
224.65666	2.2
225.09189	1.1
228.23186	1.6
229.06529	1.1
229.08643	19.0
237.09126	12.0
239.10654	6.9
241.12230	3.4
249.09052	4.4
251.07005	1.2
253.08586	2.2
253.12236	0.9
255.10141	1.5
263.19458	1.1
265.08655	1.2
267.10175	100.0
268.10477	1.5
279.13727	2.8
281.11728	3.2
281.15320	8.0
283.06009	2.1
307.13290	55.9
308.13437	1.1
325.06973	6.6
325.10736	9.1
325.14291	65.8
325.21777	2.4
325.26025	13.9
325.76126	3.0
338.49487	1.1
343.15515	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	325.1437
Annotation	6-Carboxy-5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
54.71246	0.4
55.01872	1.1
56.28438	0.4
56.96560	1.7
57.03415	0.6
57.07073	1.6
65.03941	1.9
67.05506	1.4
69.07067	0.7
69.97866	1.5
69.98279	1.0
70.06593	0.8
71.08592	0.5
79.05492	1.9
81.07069	1.2
84.98452	0.6
88.07638	0.9
91.05485	92.2
92.05827	1.0
93.07035	1.3
95.04974	1.4
95.08585	1.1
102.09097	0.6
103.05475	5.4
105.03397	5.1
105.07043	13.2
107.08597	1.2
109.10191	0.8
115.05453	2.4
117.07018	1.1
119.04962	0.7
119.08601	1.0
121.06527	1.2
129.07018	0.8
131.04938	6.1
133.06509	1.4
133.10164	0.6
137.06024	1.4
141.07030	2.5
145.06517	0.6
145.10153	0.6
147.04443	0.8
149.02361	2.5
149.06001	2.1
151.03964	0.5
153.07001	2.1
155.08565	0.8
157.06534	0.7
159.04420	5.0
161.06000	2.5
163.03841	0.7
163.06012	0.5
163.07500	0.8
165.06978	5.8
166.07799	11.4
167.08582	1.5
168.05707	0.6
169.10037	0.6
174.06725	0.8
175.07538	3.4
176.04716	0.7
177.05481	3.4
178.07764	5.2
179.08580	7.1
180.09259	0.7
181.06494	1.7
181.10123	8.1
181.93994	0.4
183.08084	0.9
188.08357	1.8
189.05484	18.0
189.06854	0.7
189.09111	5.0
190.07787	2.3
191.08577	7.4
192.09340	0.7
193.04977	4.9
193.10126	1.0
194.07280	6.5
195.08067	1.6
196.08716	0.5
197.06102	0.7
201.09077	4.7
202.07661	0.5
203.07022	4.7
203.08644	0.7
203.10692	1.7
206.07309	0.7
207.06404	0.8
207.08138	2.8
208.08849	1.1
209.06001	0.7
209.09669	8.5
210.06683	0.6
210.64108	2.3
211.07536	0.8
211.11150	1.4
213.09138	1.1
216.07841	1.0
219.08115	2.7
221.09628	1.6
223.07588	1.0
223.11159	0.8
224.08331	1.8
224.65663	1.0
225.09023	1.2
227.10666	0.9
228.23286	0.7
229.08611	17.9
235.07648	1.0
237.05504	0.6
237.09103	11.9
238.09746	0.8
239.10658	7.3
241.12241	2.6
245.41833	0.5
249.09120	3.9
251.06902	0.8
251.14516	0.7
253.08577	1.7
253.12395	0.7
255.10219	0.8
256.26376	0.7
263.10843	0.6
265.08548	1.2
267.10178	100.0
268.10519	1.4
269.10788	0.7
276.99625	0.6
279.13840	2.4
281.11719	3.8
281.15347	5.6
283.06064	0.8
285.11322	0.9
289.12299	1.1
307.13303	55.7
308.13733	1.0
325.07053	2.1
325.10898	3.8
325.14319	58.9
325.22253	1.2
325.25955	7.6
325.76306	1.8
326.14569	1.0
343.15442	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1437
Annotation	Flemistrictin F
Peak:m/z	Relative Intensity
51.46520	0.5
53.03936	0.8
55.01870	1.8
55.05506	2.4
56.96548	1.7
57.03424	0.7
57.07072	1.5
59.05000	0.7
65.03940	2.2
67.05511	5.9
69.03423	1.9
69.07076	4.5
71.04997	0.9
71.08611	0.7
77.03962	0.5
79.05513	3.3
81.03419	1.3
81.07064	8.0
83.01347	1.4
83.04986	1.3
83.08620	2.0
85.02926	0.8
85.06537	2.2
91.05490	69.0
93.07043	5.0
95.04970	1.9
95.08615	5.2
97.06517	1.1
97.10190	1.1
98.20681	1.2
98.97588	1.5
99.08070	0.7
103.05489	3.1
105.03428	2.7
105.07045	18.5
107.04949	1.2
107.08581	3.4
108.08127	0.6
109.02913	0.9
109.06506	1.5
109.10174	4.5
111.08087	1.6
115.05495	1.1
117.07064	1.1
119.04963	1.4
119.08577	2.4
121.02905	0.7
121.06557	0.6
121.10156	2.1
123.04491	0.7
123.08049	1.1
123.11714	2.5
129.07013	1.7
131.04942	2.6
131.08583	1.5
133.02840	1.0
133.06509	0.7
133.10196	1.2
135.04428	2.2
135.08072	0.7
135.11696	1.3
137.06020	1.3
137.09631	1.3
137.13258	1.0
139.11203	0.7
141.06982	2.7
143.08539	1.2
145.06418	0.6
145.10139	1.8
146.03603	0.7
147.04425	4.9
147.08038	0.9
147.11780	1.0
149.02371	0.7
149.09605	0.7
149.13275	1.4
153.07018	1.1
154.07805	0.7
155.08607	1.3
157.06485	1.3
157.10201	0.8
159.04437	4.9
159.08069	1.8
159.11661	0.9
161.05994	2.6
163.03920	3.1
163.14801	0.7
165.07030	2.1
166.07672	1.0
167.08574	1.1
169.10112	0.9
171.08118	0.6
173.06039	0.8
173.09702	0.8
175.03920	17.9
175.07520	3.9
177.05528	0.9
178.07796	3.6
179.08571	10.7
181.06429	0.9
182.07275	1.3
183.08148	1.0
187.03917	8.4
187.07617	1.4
189.05455	0.8
189.09113	2.0
190.04961	0.9
194.07330	1.0
195.08101	0.7
197.09666	2.8
199.07579	1.3
201.05489	2.1
201.09138	2.6
203.07033	8.1
203.08720	0.6
203.10320	0.7
205.04846	0.7
205.06580	1.0
207.08081	7.6
209.09619	1.3
210.06828	1.6
211.07585	3.7
216.07738	0.6
219.08090	1.1
221.09773	0.6
223.07614	1.0
225.09119	8.8
227.10851	0.7
229.08597	5.1
233.06079	0.6
235.07564	11.5
237.09029	2.7
238.06163	0.6
241.08601	2.6
244.90178	0.7
247.07474	1.0
249.08957	0.8
251.07120	1.7
253.08621	100.0
254.08977	0.9
263.10498	0.8
265.08618	13.0
267.10098	1.8
279.10593	0.6
279.13831	1.4
281.11777	11.5
283.06216	1.0
283.09644	1.2
289.25320	1.1
292.07297	1.1
292.10815	0.7
293.08099	1.6
307.09750	2.7
307.13248	20.3
307.26294	1.7
310.04709	1.9
325.07019	4.4
325.10938	4.0
325.14355	49.6
326.14386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1435
Annotation	6-Carboxy-5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene
Peak:m/z	Relative Intensity
51.27103	0.5
53.03950	1.6
54.97280	0.5
55.01878	1.1
55.05511	1.0
58.15700	0.6
60.41295	0.5
62.06090	2.7
63.06467	1.1
64.06497	0.7
65.03951	1.3
66.06036	0.6
67.05502	2.3
69.03420	1.1
69.07066	1.5
70.94526	0.6
71.58627	1.0
74.87180	0.6
79.05502	5.7
81.07048	2.1
83.08611	0.9
91.05486	40.2
92.05804	0.7
93.07059	1.8
95.04949	1.8
95.08612	2.8
103.05469	8.2
105.03389	3.5
105.07039	47.1
107.04973	1.2
107.08592	1.2
109.10162	1.6
111.91838	0.7
115.05466	2.3
117.07062	3.5
119.04958	1.3
119.08595	2.3
121.06526	2.4
121.10179	1.1
123.04425	0.8
123.11649	0.6
128.06218	1.2
129.07031	2.2
131.04907	4.9
131.08604	1.0
133.06459	1.0
137.05959	4.3
141.07018	2.8
143.08577	1.8
145.06502	3.5
147.04404	1.4
147.08064	1.2
149.05972	5.1
151.07455	1.0
153.06989	1.5
155.08569	1.4
157.10202	0.6
159.04439	2.7
159.08107	1.6
159.11659	0.8
160.05186	0.8
161.05981	2.4
163.03931	0.8
163.07532	3.0
165.06953	3.7
166.07805	5.9
167.08553	1.5
173.05980	1.9
174.06734	2.0
175.07545	10.7
176.04794	0.7
177.05478	10.2
177.07021	0.9
178.07785	4.6
179.08594	2.9
181.06554	0.8
181.10115	8.0
182.33124	0.6
187.07578	1.1
188.06770	0.9
188.08215	3.3
189.05510	10.4
189.09103	13.7
189.10721	1.0
190.06247	1.2
190.07819	1.5
190.09882	0.9
191.08498	4.1
193.10155	2.4
194.07317	2.7
195.08058	1.1
197.01103	0.6
197.06078	0.9
201.05496	1.1
201.09151	13.2
202.07834	0.7
203.07022	17.6
203.08984	1.0
203.10625	4.9
205.04865	1.4
205.10223	0.8
207.06458	1.3
207.08115	1.7
208.08878	0.7
209.09618	4.5
211.11342	0.7
214.13487	0.7
216.07813	4.2
219.08086	2.4
220.08846	1.4
221.04338	0.9
221.09665	2.0
223.07597	0.8
223.11197	1.5
224.08261	1.1
227.10701	1.8
229.08604	41.9
233.09714	1.0
235.07614	1.3
237.09123	8.9
239.10643	1.5
241.12242	9.3
247.11345	0.7
248.06017	0.6
248.08443	0.8
249.09166	4.1
251.07091	0.8
251.10762	1.5
251.14270	0.9
253.08568	3.2
253.12245	2.3
255.10158	3.5
260.02493	0.7
263.10794	2.1
264.11526	0.9
265.08612	1.0
265.12399	1.0
267.10187	31.6
279.13861	5.1
281.11789	13.7
281.15399	25.6
282.05334	0.9
283.06204	0.8
289.12225	1.2
292.10956	1.0
307.13306	100.0
325.07089	3.7
325.10941	1.9
325.14313	25.0
325.21371	1.2
325.25092	0.9
325.28687	1.3
343.15436	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	325.1435
Annotation	Flemistrictin F
Peak:m/z	Relative Intensity
55.01862	2.9
55.05538	2.2
56.96577	2.9
65.03929	3.1
67.05508	6.7
69.03432	2.2
69.07042	2.9
70.19892	2.0
71.55634	2.4
71.56018	2.1
76.99337	1.6
77.26057	1.6
79.05495	6.2
81.07062	9.7
83.08618	1.9
91.05489	41.8
93.07053	8.3
95.04967	4.1
95.08611	7.6
97.06551	2.6
103.05456	4.9
105.03378	2.8
105.07040	23.8
107.04974	2.5
107.08616	4.1
109.06511	3.6
109.10156	2.8
115.05456	3.9
117.07034	3.8
119.08578	4.0
121.06519	3.8
121.10127	4.1
123.08190	1.7
128.06226	2.4
129.07010	5.5
129.25185	1.7
131.04915	4.7
131.08577	4.8
132.38628	2.0
133.10138	5.2
135.04442	3.6
135.11707	2.0
141.07018	5.5
143.08589	4.3
145.10144	3.8
147.04393	2.0
149.13257	2.0
155.08646	2.5
157.06485	1.8
159.04446	6.8
159.08067	4.6
161.05992	3.9
163.03897	1.7
165.07027	2.6
167.08617	1.9
171.08005	3.1
173.06020	2.3
173.09674	2.4
173.13448	1.7
175.03917	7.2
175.07497	2.2
175.19096	1.6
177.05493	3.4
178.07721	3.5
179.08560	6.5
181.10114	2.6
183.08046	5.6
187.03909	9.2
187.07521	4.5
189.09123	10.7
189.70549	1.8
191.08560	4.2
195.11717	2.1
201.05498	6.5
201.09241	8.7
203.07074	2.2
207.08116	4.7
209.09608	4.7
211.07564	5.1
219.08080	2.2
225.09100	3.3
227.10765	3.4
229.08557	18.0
235.07635	5.7
237.09091	4.8
241.08699	2.4
251.07130	3.0
253.08598	26.5
265.08603	4.8
274.09848	2.3
279.10242	2.1
279.13782	3.6
283.05991	8.0
289.12347	3.0
297.07703	2.7
307.09875	5.1
307.13281	100.0
325.07245	13.9
325.10611	4.9
325.14056	18.3
325.17294	1.9
325.21591	6.8
325.25143	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	325.1437
Annotation	licoagrochalcone A
Peak:m/z	Relative Intensity
50.77125	0.9
53.03930	1.2
55.01869	2.8
55.05499	1.4
56.96556	2.2
64.71412	0.9
67.05490	2.9
68.99790	3.4
69.03422	1.2
69.06716	1.4
69.07071	19.4
70.04559	3.2
71.01357	0.9
77.73713	1.0
79.05479	2.3
81.03416	7.0
81.07047	3.5
91.05468	5.0
93.07052	2.6
95.04959	3.2
95.08613	2.3
98.97572	1.9
103.05497	6.2
105.07005	2.7
107.04920	3.2
107.08581	2.7
109.06526	1.0
109.10146	1.4
111.08044	1.2
115.05387	0.9
117.03315	1.0
119.04918	2.1
119.06410	0.9
119.08578	3.0
121.06480	1.3
121.10191	2.0
123.04444	8.8
123.08100	0.9
127.03871	1.4
128.06232	1.5
129.06970	1.3
131.04935	12.4
131.08574	1.8
133.06476	3.5
133.10074	2.0
135.04430	2.2
137.02345	100.0
141.07060	1.4
143.08545	3.2
145.06516	2.1
145.10117	1.2
147.04395	6.9
151.03972	1.0
152.06247	1.6
153.06989	2.7
154.07791	1.2
155.03401	1.7
155.08554	2.0
157.06506	3.2
157.10152	2.6
159.04425	14.1
159.08069	2.6
159.11728	0.9
163.03899	8.4
165.07010	3.1
167.08510	3.3
169.06480	2.4
169.10117	1.2
171.08063	6.7
171.11700	1.9
173.06007	3.7
173.09634	2.8
177.05496	3.9
177.06989	1.5
179.08533	1.6
181.06473	5.7
181.10132	1.4
183.08028	3.0
184.05312	1.4
185.05981	7.7
185.09590	1.7
185.13176	1.1
195.08070	7.4
197.05974	2.5
197.09608	1.4
198.06796	2.0
199.07550	37.3
205.06529	2.1
208.24750	0.9
209.05893	1.7
213.05470	1.4
213.09091	2.9
215.10641	7.2
223.07520	9.4
223.14902	1.7
225.05530	1.2
225.09164	2.8
226.06207	5.4
227.07034	43.9
240.07919	1.0
241.08580	6.8
251.07051	23.6
251.14230	1.5
255.06409	1.0
257.08084	7.6
269.08102	74.1
283.06036	2.6
287.09125	7.5
297.07510	1.7
297.22177	0.9
307.13190	1.8
307.20618	1.8
325.06985	4.6
325.11075	3.0
325.14337	71.2
325.21634	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	325.1395
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
51.31179	0.2
54.84624	0.2
56.96565	1.9
57.03443	0.6
64.81567	0.2
65.71724	0.3
69.03436	1.9
70.17612	1.1
72.08157	0.4
73.02921	0.8
73.25577	0.3
81.03406	0.5
84.08153	0.3
84.96060	0.4
85.02908	1.9
87.04456	0.4
91.05482	0.5
97.02877	1.8
98.20824	0.5
98.97595	2.9
100.97188	0.3
102.09199	0.4
109.02862	0.3
110.97584	0.8
112.99197	0.4
115.03970	0.3
116.98623	0.8
118.06558	4.0
119.01874	0.4
127.03914	0.3
128.98642	0.6
131.12633	0.3
133.07626	5.2
137.50432	0.3
143.00180	0.4
145.07619	100.0
146.05115	0.3
146.08417	2.1
146.99600	0.3
147.09164	0.7
148.03882	1.3
148.54088	0.6
158.11775	0.3
158.99637	0.3
161.01244	0.3
163.08678	60.7
172.94382	0.4
176.03271	0.4
205.05484	2.7
205.55667	3.7
206.05711	0.6
207.05254	0.3
219.01785	0.7
237.02843	0.5
261.72620	0.3
295.06937	0.6
301.22104	0.3
315.58405	0.3
325.13962	73.2
326.14426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.01875	2.4
56.96552	0.3
57.03440	2.8
58.84172	0.3
59.04972	0.4
61.02910	0.7
67.05527	0.3
69.03436	15.9
70.85487	0.3
70.85836	0.5
71.01335	0.9
71.04996	5.5
72.08141	0.6
73.02888	0.9
75.04465	0.3
79.05471	1.0
81.03425	18.1
81.07054	0.7
84.08144	0.4
85.02895	0.9
87.04516	0.3
91.05499	1.7
93.07047	0.7
95.04976	0.5
95.08580	0.5
97.02913	0.3
99.03832	0.4
99.04463	6.1
105.06992	0.5
107.08566	0.3
109.02874	0.4
109.06488	0.4
116.04965	1.1
117.05508	2.0
118.06548	5.4
119.04919	0.7
119.08597	0.3
120.08101	0.5
124.07591	0.4
133.02834	0.9
133.10100	0.3
135.04395	0.3
137.05923	0.3
139.77293	0.2
145.02788	0.3
145.06560	0.5
145.07613	7.0
147.04486	1.8
147.09187	8.4
161.09557	0.3
162.07898	1.0
163.03947	2.9
163.07466	0.4
163.08656	1.0
173.07123	11.7
175.07321	0.5
175.08691	5.8
181.04945	0.3
190.07388	0.5
191.08167	100.0
192.08502	0.6
203.08269	0.4
205.09735	0.6
213.10135	0.3
215.11882	0.7
231.11246	0.5
233.09251	1.4
238.63768	0.3
260.73251	0.3
271.10867	0.6
278.04117	0.3
289.11774	1.8
307.12894	32.3
325.07562	0.5
325.13986	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	324.2899
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.03955	0.3
55.01895	0.3
55.05515	5.9
57.01822	0.3
57.03430	0.3
57.07084	1.4
58.26811	0.3
60.04521	0.4
62.06094	100.0
65.03953	0.7
67.05508	18.3
69.07070	6.6
69.52554	2.2
70.02959	0.9
71.08653	0.7
74.81635	0.3
79.05502	4.9
81.07060	17.1
83.04984	0.4
83.08625	3.2
85.06554	0.4
87.06103	0.3
88.04004	0.5
91.05488	8.9
92.05818	3.5
93.07049	4.8
95.08614	15.3
97.06544	0.7
97.10172	2.0
98.06075	1.3
99.04516	0.4
105.07021	1.8
107.08628	1.7
107.77609	0.3
109.10159	4.9
111.08104	0.6
111.11739	0.3
119.08578	1.7
119.09325	0.3
120.05478	0.3
121.10172	1.3
123.11684	2.3
127.92706	0.3
130.08665	0.5
133.10127	1.6
135.11726	0.9
137.13281	0.7
147.11691	1.1
149.13242	0.4
151.14859	0.7
161.13289	1.0
163.14867	0.8
165.16396	0.6
166.07845	0.4
175.14810	0.7
180.08911	0.3
189.05511	0.5
190.05838	0.6
192.08862	0.4
195.07816	0.4
200.16525	0.4
210.09962	0.5
245.22623	1.8
258.54938	0.4
259.66849	0.3
263.23679	1.5
267.10165	1.9
268.10544	9.2
306.27832	3.1
307.26276	3.5
324.16779	8.5
324.28995	12.6
325.29382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1079
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.56721	0.2
53.03937	0.3
55.01863	0.2
56.96559	0.4
57.03432	0.3
61.02922	0.5
61.65327	0.2
67.05499	0.2
69.03440	1.0
69.07067	0.2
69.60609	1.2
70.06602	0.4
71.04995	0.5
72.08144	0.3
73.02912	0.4
74.06071	0.2
74.83500	0.2
79.05486	0.6
81.03416	0.8
81.07071	0.4
82.06558	0.3
84.04449	0.2
84.08144	2.3
85.02908	2.7
85.06560	0.8
85.08477	1.1
86.09698	0.3
87.04459	0.2
89.15135	0.2
91.05479	0.5
96.08127	0.4
97.02890	0.9
98.97599	0.6
99.08094	0.2
102.05581	0.2
103.05480	0.2
105.03374	0.2
105.07027	0.2
106.06547	0.8
107.04974	0.4
109.02896	0.4
110.06065	0.8
110.07156	0.6
112.79678	0.2
116.04980	1.6
119.04959	0.4
120.08084	0.4
122.06091	0.2
122.07157	0.5
124.07584	0.4
127.03905	0.5
127.07565	0.5
130.06516	0.7
134.06020	0.4
136.07573	0.3
138.05489	1.4
144.04436	0.2
145.04994	0.3
145.08583	0.2
147.04427	0.7
148.04765	0.3
149.56837	0.2
152.07065	1.3
155.05147	0.2
157.34503	0.2
162.05507	100.0
163.03911	0.4
163.05821	0.8
164.07359	0.4
165.07800	0.4
166.08640	0.2
170.06000	0.2
180.06541	2.7
195.08733	0.5
198.07535	0.2
207.11383	0.2
306.15414	0.2
324.10837	1.3
324.16830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1056
Annotation	Tazarotenic acid
Peak:m/z	Relative Intensity
53.03936	1.1
54.03426	0.9
55.01896	1.1
56.05034	1.7
56.96569	1.0
57.03444	1.1
61.32167	0.8
61.46663	0.8
61.95572	0.8
67.05496	2.9
69.03410	1.3
69.07050	3.5
69.95521	0.9
70.06586	1.7
71.57359	1.3
72.08155	2.5
79.05518	1.4
81.07069	1.0
84.08127	1.5
85.02900	1.3
85.68313	0.9
86.09711	1.2
91.05487	1.7
91.09737	0.8
93.07062	1.4
95.04970	1.0
96.04464	1.5
97.02872	1.4
98.97595	2.0
99.05585	2.2
102.05555	8.9
107.08640	1.0
108.04457	1.1
109.10161	2.0
111.05576	4.1
116.07037	1.2
121.06483	1.2
122.09640	1.6
124.07592	1.4
125.07111	2.5
126.05523	1.8
136.07591	12.0
137.07961	9.9
138.09114	1.3
139.05054	7.6
142.08687	1.0
147.04454	1.7
148.04688	1.3
150.09140	1.9
151.03935	9.9
154.08643	5.5
155.08983	3.1
156.10210	1.4
164.07104	5.9
165.07481	5.4
167.11800	4.8
173.07214	1.0
182.08099	1.7
183.08418	1.8
190.09865	1.0
191.08134	8.6
195.11327	13.0
196.09702	1.9
210.59767	0.9
223.07224	0.9
278.14038	1.9
279.13437	1.6
296.15265	1.4
307.12970	2.1
324.10553	100.0
324.15149	12.0
325.10608	1.1
325.14102	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.5
55.01878	4.4
55.05505	7.1
56.66729	1.7
57.03442	28.3
62.06107	2.0
67.05508	22.8
69.07059	4.1
69.70049	11.8
71.05000	4.2
72.68229	1.8
79.05492	12.3
81.07078	16.4
83.04980	3.0
83.08603	2.6
83.10702	1.7
85.02943	2.0
85.06144	2.1
85.06559	28.1
86.58168	2.0
91.05487	26.0
91.06023	3.4
93.07057	11.3
94.95847	1.9
95.04974	40.2
95.08605	6.9
97.06544	2.7
97.10202	3.5
98.21385	3.0
105.07029	9.5
107.04943	2.5
107.08591	7.7
109.06532	29.2
109.10216	2.9
113.06020	100.0
115.05444	2.3
117.07018	7.0
119.08620	4.9
121.06528	6.0
121.10123	6.1
125.09571	2.0
126.61621	1.9
129.07034	2.5
131.08560	7.6
133.10117	3.7
135.08061	24.4
135.11717	3.1
137.05983	3.0
140.72594	1.8
143.08548	3.9
145.10126	4.5
147.08084	3.8
149.09592	4.5
157.10141	3.3
159.11736	4.3
161.09590	5.1
163.11230	2.2
177.05510	12.2
181.12285	2.4
191.10583	1.9
203.08836	2.0
205.05072	5.2
217.15866	9.2
227.12779	2.5
255.17503	2.9
267.10135	12.2
273.18506	14.4
291.09973	2.0
291.19565	33.4
323.08997	5.5
323.12683	13.9
323.16302	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01872	8.2
55.05269	2.2
55.05519	34.7
57.03431	5.8
57.07076	2.8
59.05000	2.3
65.03957	3.2
67.05511	24.9
69.03425	5.7
69.07072	22.0
70.28065	4.5
70.28445	2.6
71.05004	4.0
73.06617	1.7
76.11246	1.7
79.05493	28.6
81.03426	3.1
81.06634	3.3
81.07064	34.6
83.04973	7.5
83.08625	20.3
91.05484	65.6
93.07059	22.0
95.04975	15.0
95.08605	21.0
96.61811	2.1
97.02889	3.1
97.06548	3.9
97.10175	27.7
98.20779	2.5
98.97574	2.6
99.08051	2.3
103.05506	4.4
105.03404	1.9
105.07036	15.7
107.04937	6.9
107.08600	20.0
109.06531	8.4
109.10160	11.3
111.08080	4.9
116.98576	2.2
117.07039	5.6
119.04898	1.9
119.08569	12.1
121.06505	4.7
121.10141	5.3
123.08075	13.8
123.11733	4.2
125.09644	31.0
129.07005	2.5
131.08556	8.0
133.06502	7.4
133.10159	7.0
135.08064	6.4
135.11685	4.8
137.09633	2.3
143.08591	4.5
145.06487	2.8
145.10135	8.0
147.08067	7.1
147.11734	5.9
149.09642	2.9
150.68285	1.8
153.09143	4.8
157.10188	3.9
157.12158	2.5
159.11716	3.7
161.09601	2.6
161.13263	2.3
163.11153	3.2
165.07057	2.5
165.09108	3.6
166.07660	2.9
175.11209	2.5
177.01875	2.7
179.08566	3.7
181.10103	2.6
189.05486	4.8
193.12245	4.2
203.12790	14.9
219.06517	4.6
223.13254	12.5
225.14857	3.2
237.09084	2.6
245.18942	2.5
255.17545	2.2
263.19931	3.1
267.10175	48.0
273.18463	17.2
281.11600	2.0
291.19559	100.0
293.11090	2.0
299.79816	2.0
305.11673	3.2
305.21109	24.5
305.24817	6.0
323.09445	3.4
323.12704	13.0
323.16388	28.3
323.22290	8.2
323.25949	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.01872	5.4
55.05262	1.8
55.05518	28.0
57.03437	1.6
57.07077	1.7
59.05000	1.2
62.06096	57.7
63.05809	2.0
63.06438	7.9
65.03944	2.4
67.05514	23.7
68.05827	1.7
68.35846	0.9
69.03429	4.8
69.07079	16.3
71.04987	1.2
71.55901	1.0
71.56312	1.6
79.05496	22.6
80.05845	1.6
81.03432	3.1
81.07058	23.0
82.07388	3.5
83.04991	3.1
83.08630	16.1
91.05489	37.4
92.05730	1.2
93.07058	17.9
95.04983	6.8
95.08611	13.1
96.08950	3.2
97.02911	2.9
97.06526	3.0
97.10179	26.1
105.07022	10.4
107.04986	3.0
107.08611	15.4
108.08945	1.5
109.06525	2.5
109.10170	8.4
110.10475	1.8
111.08067	1.5
115.05428	1.3
117.07035	4.6
119.04993	1.5
119.08564	7.6
120.08942	1.1
121.06543	2.5
121.10188	5.1
123.08047	5.1
123.11718	1.1
123.40384	1.0
125.09643	20.8
129.06996	3.9
131.04912	1.4
131.08575	5.3
133.06512	3.5
133.10159	4.9
135.08057	5.2
135.11696	2.8
137.09634	3.0
143.08569	2.3
145.10178	5.7
147.08040	5.2
147.11688	3.4
149.09558	1.5
149.13271	1.4
150.13638	1.2
153.09137	4.0
157.10136	2.1
157.12224	1.2
161.09698	2.0
165.06889	1.2
165.09100	2.1
166.07843	1.4
171.11641	2.1
173.06023	2.2
173.13283	1.8
175.11208	2.8
177.12810	1.5
179.08580	1.9
181.10071	1.4
189.05563	2.5
189.12761	1.3
199.11174	1.4
203.12808	10.3
223.13347	9.4
237.09149	2.4
245.19089	1.6
249.14818	1.5
262.22473	2.4
267.10193	28.9
273.18521	11.6
291.19565	100.0
292.20041	1.4
305.21185	23.0
305.26697	1.3
306.25125	1.3
323.09225	2.2
323.12787	3.3
323.16324	16.4
323.22275	4.4
323.27646	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	323.1644
Annotation	Lonchocarpene
Peak:m/z	Relative Intensity
52.89568	0.3
53.03934	0.3
55.05519	0.3
56.96566	0.3
63.03034	0.3
65.03943	1.5
67.05506	1.2
69.07065	0.4
69.71707	0.6
69.72115	1.3
71.05007	0.3
79.05496	0.9
81.03418	0.6
81.07060	1.9
83.01349	0.3
83.05022	0.3
85.06496	0.4
91.05485	99.2
92.05815	0.8
93.07055	0.8
95.04977	0.5
95.08593	0.9
96.16105	0.3
98.97580	0.4
103.05474	1.6
105.03399	2.6
105.07034	1.3
107.04964	0.5
107.08617	0.6
109.06528	0.7
109.10150	0.3
115.05454	1.1
117.07030	0.3
119.04962	0.5
119.08598	0.5
121.06464	0.3
121.10104	0.4
123.04421	0.5
123.11681	0.3
129.07013	0.4
131.04933	3.1
131.08598	0.4
135.04407	0.4
135.11674	0.4
137.05963	0.4
141.07022	0.9
145.10152	0.4
149.06000	0.3
152.06114	0.3
153.06985	0.7
155.08542	0.6
157.10216	0.3
159.04408	2.1
159.11714	0.3
161.06068	0.6
161.09557	0.4
163.03903	0.3
165.06987	3.7
166.07799	6.0
167.08626	0.7
169.10118	0.4
177.05472	0.9
178.07770	2.3
179.08574	5.0
180.09238	0.3
181.06537	0.8
181.10118	3.8
183.08119	0.5
183.11763	0.4
189.05482	11.1
189.06985	0.4
190.07768	1.2
191.08572	3.7
192.09471	0.4
193.06583	0.4
193.10107	1.0
194.07265	4.1
195.08060	0.9
196.08862	0.6
197.05893	0.3
197.09682	0.6
197.13136	0.4
205.04980	0.4
206.07248	0.5
207.08128	1.9
208.08875	0.7
209.06065	0.5
209.09624	5.1
211.07527	0.5
211.11201	1.5
213.09070	0.6
219.08098	2.2
220.09039	0.3
221.09673	0.6
222.06802	0.3
223.07530	0.7
224.08345	1.5
225.09137	0.3
227.10661	0.3
235.07533	1.0
237.09082	6.1
239.10701	5.0
249.09183	2.1
253.08606	0.7
265.08572	0.4
267.10172	100.0
268.10516	1.8
269.10739	0.3
281.11609	0.5
285.11240	1.4
291.10172	0.5
293.08157	0.3
299.12701	0.3
308.10458	0.4
323.12955	2.6
323.16400	46.0
324.16791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1644
Annotation	Lonchocarpene
Peak:m/z	Relative Intensity
65.03954	1.5
71.58610	1.0
81.07029	0.7
91.05487	92.4
92.05812	0.8
103.05486	0.9
105.03394	2.7
105.07051	0.9
109.10139	0.8
109.10854	0.6
115.05457	1.0
123.33720	0.6
126.62061	0.7
131.04935	2.7
143.08527	0.7
153.06982	1.1
159.04431	1.8
165.06985	3.0
166.07817	6.2
178.07857	2.2
179.08592	4.9
181.06508	1.0
181.10158	3.7
181.15338	0.6
185.09703	0.8
189.05469	10.1
189.07043	1.3
190.07764	1.2
191.08549	3.4
193.10107	0.7
194.07315	3.4
195.08089	1.1
207.08107	2.6
209.09645	4.5
211.11227	1.9
213.09222	1.1
219.08051	1.4
221.09682	0.9
224.08473	1.3
237.09106	6.2
239.10800	3.1
241.64120	0.7
249.09093	2.2
267.10181	100.0
268.10532	1.5
283.09253	0.8
285.11142	1.6
323.16443	56.5
324.16702	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.8
56.96558	1.5
57.02067	1.0
57.03432	3.1
61.02943	6.0
68.99781	1.2
69.03426	4.1
69.07067	2.0
70.06585	1.5
70.85022	2.7
72.08159	2.4
73.02917	2.0
79.05488	1.4
81.03433	1.4
83.08675	1.2
84.04516	1.1
84.08142	4.1
85.02912	7.4
89.03908	2.4
91.05481	4.5
93.07023	1.2
95.01368	1.8
95.04987	1.9
97.02891	2.3
98.97562	6.6
103.05478	8.3
105.06993	1.3
107.04958	3.7
110.06059	1.4
115.05479	7.3
116.98566	1.7
117.03386	5.1
117.07054	1.5
121.06539	2.3
123.04438	3.9
123.05577	3.2
124.07630	1.8
128.06259	1.9
129.07008	3.4
130.04187	1.2
131.04942	21.6
133.06537	1.9
135.04436	16.2
137.02348	13.4
138.05533	1.7
139.05443	3.2
141.07016	8.3
143.04924	4.6
145.02789	5.3
145.06479	3.5
146.05981	2.3
147.04411	11.0
149.05992	12.9
155.04878	3.0
157.06514	5.2
158.99629	1.7
159.04433	10.8
161.02330	8.7
161.04613	1.1
161.05986	5.9
163.03920	63.6
165.01770	2.0
165.05490	3.2
167.04965	2.8
169.06503	11.7
170.08226	1.8
171.04430	6.7
173.05983	8.5
175.03920	13.6
175.07498	2.8
176.04695	2.8
177.05486	47.5
181.01370	1.3
181.10089	1.3
183.04391	6.2
184.05229	1.1
185.04466	1.2
185.05959	7.5
187.03831	8.7
187.07579	1.8
189.01834	1.2
189.05515	19.2
191.03381	6.2
193.05002	10.8
197.06004	15.9
199.03818	6.0
201.05476	20.9
203.03412	9.8
203.05057	1.2
203.05363	1.3
203.06987	6.7
205.04980	100.0
207.02928	12.4
213.05490	14.6
215.03448	4.0
215.07051	13.0
217.04970	36.8
219.02965	2.5
221.04587	1.1
225.05502	2.6
229.04993	11.6
231.02904	2.9
231.06543	12.7
233.04451	1.3
235.06140	1.5
241.04919	6.9
243.06596	7.4
245.04472	12.6
247.05992	3.5
259.05972	17.6
261.07629	2.3
263.05478	1.9
263.10385	1.3
267.10257	2.3
277.07126	14.1
277.11697	1.7
277.15140	1.2
281.06601	4.8
284.54742	1.2
287.05545	4.4
295.08167	1.8
305.06628	6.1
305.11398	1.7
323.07593	32.1
323.12076	6.4
323.16052	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	323.1278
Annotation	Radulanolide
Peak:m/z	Relative Intensity
51.02375	0.3
53.03940	1.1
55.01868	0.5
55.05500	0.5
56.96558	0.7
67.05507	0.7
69.03436	0.4
69.07075	0.8
69.82088	0.7
69.82484	0.9
70.97883	0.3
77.03494	0.3
77.03901	0.4
79.05502	7.8
81.07057	1.1
91.05487	10.2
93.07045	0.9
95.04968	1.5
95.08608	0.7
98.20769	0.4
98.97616	0.4
103.05474	7.9
105.03390	0.9
105.07037	100.0
106.07388	0.9
107.04961	0.4
107.08598	0.6
107.34653	0.3
115.05456	1.0
115.57374	0.3
117.07011	2.3
119.04961	0.4
119.08585	0.6
128.06227	3.6
128.45764	0.3
129.07027	1.3
131.04942	1.1
131.08601	0.6
133.10149	0.6
137.02315	1.6
141.06996	0.9
143.08545	1.7
144.05681	0.5
145.06502	1.4
145.10097	1.0
147.08069	0.4
153.07018	0.8
155.06049	0.7
155.08662	0.4
156.05655	0.4
157.06531	0.5
158.07318	1.2
159.08086	1.2
161.06075	0.5
161.09625	0.4
163.03888	0.4
165.06995	0.4
167.08595	0.4
171.04466	0.5
171.08113	2.1
173.06000	3.6
173.09581	1.0
174.06784	1.1
175.07535	0.7
177.05510	0.6
178.07780	0.4
179.08624	0.5
181.06480	0.7
184.05276	0.5
185.05948	0.4
187.07558	8.4
188.08311	3.2
189.05458	0.5
195.08002	0.4
199.07550	18.8
201.05513	0.8
201.09119	6.7
203.07031	0.7
203.08713	0.5
205.10103	0.4
207.08067	0.4
213.09126	0.6
214.06299	2.3
215.08614	0.7
216.09351	0.7
217.05093	0.5
219.06525	0.4
227.07045	27.6
231.06517	1.1
237.09364	0.4
245.08110	8.3
249.01183	0.4
249.12883	0.5
259.11380	0.7
267.10172	2.4
277.12314	1.5
279.13828	6.6
286.10095	0.3
287.10730	1.4
290.09518	0.4
305.11743	41.2
306.12091	0.5
323.05713	0.6
323.09161	1.5
323.12833	6.6
323.16415	2.0
323.24017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	17.4
69.67877	5.5
69.68307	8.1
98.97591	100.0
104.25949	1.9
116.98624	42.8
119.01840	2.0
134.99661	8.8
140.14548	2.1
146.91803	2.3
172.94356	2.4
173.01134	2.7
177.00786	2.5
180.97861	4.8
197.70015	2.2
198.98891	3.2
201.00783	3.2
207.96584	1.9
214.59377	2.0
219.01942	3.0
220.02051	2.3
232.96562	2.2
240.98793	5.6
258.99780	68.0
274.97507	2.6
277.00842	68.4
281.05182	2.4
312.99185	3.6
316.58466	2.2
323.11713	4.6
341.23688	5.1
349.42010	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30066	4.8
63.49899	5.7
64.30096	5.1
67.57223	5.0
70.60362	16.5
70.60712	5.3
98.97565	21.2
154.01212	6.2
181.92659	5.9
251.04233	8.6
253.61110	6.0
269.05548	22.5
287.06738	6.2
323.07404	100.0
323.15698	6.9
341.07446	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24946	6.6
71.56116	6.0
71.56588	10.3
74.81969	7.2
74.89192	7.3
240.81062	8.3
269.05383	24.7
292.03738	7.3
297.82565	8.3
323.07407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19217	0.9
55.35118	0.9
56.96570	57.1
57.03435	2.0
60.95849	1.0
61.02913	4.4
69.03412	2.7
70.06584	1.5
70.96686	2.3
70.97775	1.7
70.98129	21.9
71.95261	4.0
72.08166	13.7
72.96047	1.8
73.02929	1.2
73.08507	5.2
74.97602	3.1
81.03424	1.7
84.96019	3.4
85.02938	4.6
85.03355	1.0
85.89447	0.9
86.79150	0.9
86.97598	4.4
88.99171	5.4
96.08138	2.2
97.02883	3.1
97.08494	1.5
98.97593	100.0
100.99153	3.6
110.97575	6.3
112.99130	4.9
114.09174	1.1
114.97062	12.6
115.00686	2.7
116.98630	38.4
124.95487	8.7
124.99120	2.0
126.97057	3.1
128.98619	11.7
131.00183	4.8
132.98093	18.7
134.99652	9.1
140.98553	2.7
142.96571	6.0
143.00195	5.0
144.98106	5.8
145.01720	1.8
146.99658	9.9
149.01239	2.6
150.01839	1.1
150.99149	14.1
152.94955	3.0
152.98622	1.2
154.76277	0.9
154.96486	1.5
156.98106	3.6
157.03432	1.4
158.99683	6.9
160.09702	2.8
161.01208	2.6
161.10013	3.2
162.99222	1.5
165.00734	4.3
170.96051	14.3
170.99673	2.3
172.97601	2.2
173.01228	4.2
174.99176	18.5
177.00693	4.7
179.02336	1.2
184.97600	9.6
186.99225	1.1
188.97090	21.6
189.00705	7.2
190.98700	2.3
191.02295	4.2
193.00235	32.8
197.03232	1.3
201.00714	2.7
202.98628	16.6
203.02048	1.2
205.00137	1.9
206.98190	5.8
207.01810	4.7
211.01273	4.9
212.97073	5.5
217.00206	5.1
219.01778	5.5
220.99742	21.4
224.99318	1.6
230.98141	22.0
233.03244	2.1
235.01276	4.6
237.02797	5.6
239.00775	6.4
244.99728	17.3
248.99236	5.4
249.02948	1.2
251.00786	1.1
251.04402	6.4
257.07166	1.1
261.02823	1.3
263.00766	34.7
263.04138	2.2
269.05450	10.2
281.01822	24.6
281.05429	5.2
286.02496	1.2
287.06345	2.2
295.07208	1.1
299.02838	6.2
305.01834	3.1
305.14316	3.5
309.25720	1.1
323.06625	7.5
323.11780	3.4
323.15213	11.4
341.07574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01871	0.6
55.05513	4.3
55.82475	0.6
56.96574	2.3
57.07076	1.9
60.04525	1.7
62.06092	100.0
67.05505	19.3
69.07072	4.4
71.08644	0.7
71.56065	0.8
79.05497	13.1
81.07061	20.0
83.05025	1.1
83.08643	1.7
91.05479	11.0
92.05866	1.1
93.07046	13.5
93.07618	0.7
94.07389	0.6
95.04984	1.3
95.08607	15.5
96.38171	0.6
97.01012	0.6
98.06089	0.7
98.97651	0.5
103.05488	1.2
105.07037	5.5
106.03752	0.6
107.08600	9.8
109.10165	5.2
111.08122	0.8
117.07011	2.8
119.08575	3.5
121.10156	7.4
123.11750	2.1
130.08702	0.9
131.08569	5.0
133.10178	2.7
134.10521	0.7
135.11694	4.7
137.13318	1.0
140.03766	1.2
144.10196	0.8
145.10094	3.1
147.11728	1.3
149.13297	3.1
158.11789	0.9
159.11736	2.0
161.13348	1.3
163.11166	0.9
163.14883	2.7
166.07657	1.1
167.08247	0.6
172.13359	1.0
173.13335	1.9
177.16379	3.4
179.08398	0.7
179.14537	0.8
182.10550	0.7
186.14951	0.9
187.14944	1.1
188.08066	0.7
197.09616	0.8
209.09607	0.7
210.38135	0.6
212.07933	0.6
216.07468	1.8
216.11128	1.7
237.09219	0.7
238.09564	1.0
240.19699	0.9
243.10316	1.4
243.21135	5.9
244.10637	2.6
254.09276	0.7
261.22137	7.0
261.24390	0.6
267.10269	1.6
268.10437	2.8
304.14166	0.9
304.26483	2.3
305.11737	0.7
305.24936	2.1
312.15463	0.6
322.11633	1.1
322.15195	17.2
322.27402	19.1
322.31000	1.0
338.11798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01871	0.6
55.05513	4.3
55.82475	0.6
56.96574	2.3
57.07076	1.9
60.04525	1.7
62.06092	100.0
67.05505	19.3
69.07072	4.4
71.08644	0.7
71.56065	0.8
79.05497	13.1
81.07061	20.0
83.05025	1.1
83.08643	1.7
91.05479	11.0
92.05866	1.1
93.07046	13.5
93.07618	0.7
94.07389	0.6
95.04984	1.3
95.08607	15.5
96.38171	0.6
97.01012	0.6
98.06089	0.7
98.97651	0.5
103.05488	1.2
105.07037	5.5
106.03752	0.6
107.08600	9.8
109.10165	5.2
111.08122	0.8
117.07011	2.8
119.08575	3.5
121.10156	7.4
123.11750	2.1
130.08702	0.9
131.08569	5.0
133.10178	2.7
134.10521	0.7
135.11694	4.7
137.13318	1.0
140.03766	1.2
144.10196	0.8
145.10094	3.1
147.11728	1.3
149.13297	3.1
158.11789	0.9
159.11736	2.0
161.13348	1.3
163.11166	0.9
163.14883	2.7
166.07657	1.1
167.08247	0.6
172.13359	1.0
173.13335	1.9
177.16379	3.4
179.08398	0.7
179.14537	0.8
182.10550	0.7
186.14951	0.9
187.14944	1.1
188.08066	0.7
197.09616	0.8
209.09607	0.7
210.38135	0.6
212.07933	0.6
216.07468	1.8
216.11128	1.7
237.09219	0.7
238.09564	1.0
240.19699	0.9
243.10316	1.4
243.21135	5.9
244.10637	2.6
254.09276	0.7
261.22137	7.0
261.24390	0.6
267.10269	1.6
268.10437	2.8
304.14166	0.9
304.26483	2.3
305.11737	0.7
305.24936	2.1
312.15463	0.6
322.11633	1.1
322.15195	17.2
322.27402	19.1
322.31000	1.0
338.11798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.15
Annotation	Salbostatin
Peak:m/z	Relative Intensity
55.01877	2.1
55.05532	0.7
56.96569	7.6
57.03444	2.6
61.02932	4.2
67.05496	0.9
68.68391	0.6
69.03431	6.2
70.06590	4.0
70.97840	0.8
70.98182	2.0
71.01360	0.8
71.05011	1.2
72.08163	100.0
73.02937	2.3
75.68522	0.6
79.05469	1.3
81.03425	2.1
81.05806	1.1
81.07075	1.0
83.04998	2.2
84.08173	1.3
85.02915	8.0
85.08928	0.9
85.31711	0.6
87.04485	1.1
88.03994	4.3
91.03961	0.8
95.04974	2.6
96.08139	29.3
97.02888	3.3
97.06541	1.1
97.96844	0.6
98.09708	1.2
98.97584	8.9
99.04487	1.6
100.99151	1.0
101.02412	2.2
102.09190	1.4
104.10748	1.5
105.07063	0.7
105.11048	0.8
106.43835	0.7
107.04982	1.1
109.02892	1.2
110.97577	1.4
111.04418	1.2
112.99174	0.9
113.05973	0.8
114.09181	20.5
116.98664	2.5
121.06541	0.7
123.04413	0.7
127.03958	2.8
128.98647	1.9
131.00217	1.6
132.98140	1.5
134.99673	0.8
135.04446	1.0
139.03941	1.7
141.06679	0.7
142.08658	7.1
143.00122	0.8
144.98019	0.8
145.04987	1.0
146.99670	1.2
150.99219	0.8
153.05565	1.2
160.09706	43.4
161.01350	0.8
165.00804	0.8
167.07060	1.2
169.05009	0.7
172.09711	1.4
174.99217	0.7
177.05608	1.1
185.07729	0.6
188.97078	1.5
189.00731	0.9
193.00218	2.0
204.03979	0.8
219.01781	1.3
220.99857	1.2
230.98180	1.2
237.02661	0.8
244.99928	1.1
262.13016	1.2
263.00757	2.0
269.05374	0.9
273.73294	0.7
276.14484	2.1
281.02057	1.4
286.13052	2.2
304.13950	16.3
304.17181	1.3
305.01862	0.8
322.11810	11.4
322.15036	83.6
323.06903	1.1
323.15393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03952	0.9
53.06766	0.4
55.05515	3.9
57.07075	0.9
60.04529	0.7
61.34942	0.4
62.06092	100.0
65.03932	0.8
67.05508	14.8
69.07075	3.9
69.67337	2.0
69.67737	0.8
70.02946	0.8
71.08657	0.4
79.05494	10.0
81.07061	16.1
83.08647	1.2
91.05482	6.6
93.07049	11.6
95.04993	0.7
95.08611	12.5
97.06557	0.9
98.06068	0.6
99.04484	0.5
105.07033	2.7
107.08602	7.7
109.06535	0.5
109.10170	4.7
110.88252	0.4
117.07034	1.4
119.08562	2.6
121.10140	5.8
123.11723	2.5
130.08681	0.8
131.08560	2.8
133.10133	2.1
135.11673	3.4
137.13281	1.1
142.98753	0.5
144.10208	0.5
145.10152	1.7
147.11745	1.3
149.13300	2.2
151.14830	0.6
159.11720	1.3
161.13316	1.8
163.11189	0.5
163.14880	1.4
168.94734	0.4
172.13419	0.7
173.13318	1.1
176.48538	0.5
177.16512	1.2
186.14803	0.5
187.14812	0.8
200.16513	1.2
212.16588	0.5
238.09572	0.6
240.19450	0.7
243.21138	2.5
244.10612	1.3
261.22122	4.4
267.10211	0.7
268.10501	0.6
291.19937	0.5
302.91843	0.4
304.26328	2.4
305.24850	2.4
322.15204	5.4
322.27417	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	321.1487
Annotation	Nigerapyrone B
Peak:m/z	Relative Intensity
53.03940	0.9
55.01867	1.3
57.07080	1.1
67.05493	2.0
69.07067	3.6
70.52301	1.1
77.47175	0.5
79.05491	1.2
80.94872	0.5
81.03420	0.6
81.07037	1.3
91.05485	14.8
93.07041	0.6
94.73205	0.5
94.98100	0.6
95.04967	0.5
98.20734	0.6
103.05452	6.9
105.03389	3.8
105.07019	3.1
115.05434	2.8
117.07002	1.6
119.04938	1.1
119.08556	0.6
121.06454	0.8
128.06223	1.7
129.07018	3.1
131.04959	3.2
133.06477	1.2
141.07014	2.5
142.07748	1.1
143.08531	1.2
145.06493	1.9
147.04396	1.5
153.07033	2.1
155.08580	4.4
157.06508	1.6
158.07237	0.7
159.04379	2.4
159.08035	1.2
160.05292	0.7
160.49129	0.6
161.05977	3.7
165.06982	4.3
166.07791	4.9
167.08588	1.5
168.05673	0.8
169.06464	1.1
171.08054	1.7
172.05139	0.7
172.08797	1.0
173.05984	3.5
173.09596	0.7
175.03932	2.2
175.07516	2.8
177.05470	0.7
178.07788	5.0
179.08571	3.0
181.06525	1.1
181.10133	5.0
182.07233	1.9
183.08060	8.2
185.05986	1.7
185.09627	1.6
187.03929	1.5
187.06009	0.6
187.07509	3.3
188.08353	1.9
189.05449	3.8
189.07011	1.0
189.09000	0.8
190.07846	1.3
190.09674	0.7
191.08534	4.1
193.10202	1.0
194.07297	3.2
195.08176	1.0
197.09581	3.4
199.07628	0.7
200.04657	2.2
200.08304	1.0
201.05476	3.9
201.08989	0.9
202.07690	0.7
203.06903	0.7
203.08589	1.8
203.10657	5.6
204.09494	0.7
205.10123	0.6
207.08023	1.2
208.08865	1.0
209.09691	3.3
211.07542	8.6
211.11160	0.7
213.05516	1.1
215.07037	11.8
215.10619	10.4
218.07298	0.9
219.07999	2.7
221.09634	1.8
223.07582	0.8
223.11188	2.4
224.08463	0.7
225.09131	3.1
228.09453	1.4
229.10191	1.1
230.09363	1.5
231.07973	0.9
232.08885	1.0
233.09567	1.1
235.07524	2.1
237.09125	7.3
239.10687	1.0
243.10133	23.8
245.09650	1.5
246.10361	1.0
247.11198	0.8
249.09076	2.3
250.09744	0.8
251.10645	2.7
253.08566	6.6
257.09741	0.7
259.07578	0.6
261.09171	0.8
261.12808	1.9
262.13519	0.8
263.10638	2.3
265.08783	0.9
265.12311	0.9
267.10168	20.6
271.11218	1.1
273.09119	1.9
274.09589	0.7
275.10751	0.8
275.14282	0.8
276.07678	0.8
277.08560	1.1
278.09540	0.7
279.10178	5.2
281.11694	1.0
288.11438	1.0
289.12213	1.4
290.12946	1.3
291.10162	4.0
293.11993	1.2
293.15347	3.5
303.13773	3.6
306.12418	1.1
321.14844	100.0
322.15274	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	321.1487
Annotation	Nigerapyrone B
Peak:m/z	Relative Intensity
53.03904	0.7
55.01866	0.8
55.05502	1.6
57.07074	1.0
65.03942	0.9
67.05495	2.4
69.07077	4.8
69.07389	0.8
70.67358	1.4
70.67710	0.8
79.05495	1.7
81.07044	2.6
83.08620	1.4
87.72137	0.6
91.05489	14.2
93.07016	1.0
95.08597	1.3
96.92370	0.7
97.10169	1.0
103.05483	6.1
105.03399	3.4
105.07017	2.6
109.10171	1.2
115.05440	3.5
117.07007	2.9
119.08639	1.1
123.11614	0.9
126.27118	0.6
128.06242	1.9
129.07001	2.8
131.04947	3.6
131.08575	1.1
141.06981	3.5
143.08533	1.2
145.06491	2.6
147.04405	0.9
153.06999	2.1
155.08566	4.8
157.06488	0.9
157.10155	0.8
159.04486	2.2
159.08083	1.6
161.05983	3.1
163.11169	0.7
165.06996	3.8
166.07814	5.1
167.08597	1.5
169.06497	1.3
171.08093	1.7
172.08896	1.2
173.05992	2.8
173.09572	0.9
175.03955	1.3
175.07549	2.6
178.07776	5.2
179.08588	3.4
181.10121	4.2
182.07289	1.7
183.08083	8.6
185.06120	1.1
185.09641	1.7
187.03880	1.1
187.07562	3.5
188.08328	1.7
189.05482	3.2
190.60413	0.9
191.08582	4.2
193.10114	0.9
194.07253	3.0
195.08028	1.0
197.09607	4.0
200.04683	1.7
201.05434	3.2
202.07925	0.9
202.93402	0.8
203.06923	0.9
203.08601	2.0
203.10690	6.3
207.08034	2.1
208.08775	1.4
209.09641	3.7
211.07544	6.7
213.05472	1.2
213.09116	1.1
215.07048	11.6
215.10612	8.8
217.10336	0.8
218.07291	0.8
218.11005	0.9
219.08124	2.0
221.09627	2.7
223.11163	1.8
225.09084	3.4
228.09544	1.3
229.10254	0.9
230.09320	1.1
231.08073	0.9
233.09825	1.0
235.07625	2.2
235.11168	0.7
237.09134	5.8
243.10146	22.4
245.09656	2.3
247.11212	1.3
249.09178	2.1
251.10706	2.9
253.08652	5.3
261.09210	1.1
261.12781	1.6
263.10648	2.0
265.08496	1.0
267.10217	19.4
273.09296	2.1
275.10742	1.1
277.08704	1.2
279.10199	5.1
281.11768	0.9
288.11572	0.9
289.12341	1.8
290.13089	1.2
291.10162	3.7
293.15283	3.4
303.13812	3.1
306.12512	1.4
321.14874	100.0
321.25586	1.4
321.31711	1.2
322.15091	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	321.1486
Annotation	Nigerapyrone B
Peak:m/z	Relative Intensity
53.03944	1.5
54.56317	0.6
55.05504	1.2
57.50438	0.7
58.76539	0.7
60.88865	0.7
65.03931	1.1
66.55044	0.7
67.05494	2.0
68.81882	0.7
69.07082	3.7
69.55013	5.4
79.05502	1.4
81.07059	1.6
84.33975	0.7
91.04947	1.2
91.05489	13.0
93.07038	0.8
103.05476	6.3
105.03397	3.2
105.07017	3.1
111.71750	0.7
111.83409	0.7
115.05431	2.3
117.07015	2.7
119.04978	1.4
121.06496	0.7
121.61420	0.7
128.06215	1.6
129.07030	3.0
131.04935	3.2
133.06522	0.8
138.28421	0.7
141.06992	2.9
143.08560	1.8
145.06516	2.8
147.04411	2.9
153.07018	2.6
154.07780	1.4
155.08569	5.1
157.06479	0.9
159.04445	2.2
159.08037	1.1
161.05971	3.9
165.07021	4.3
166.07813	7.4
167.08545	2.0
169.06459	1.7
171.08005	2.3
172.08757	1.1
173.05998	3.5
175.03841	1.7
175.07541	3.3
177.05569	0.8
178.07787	6.0
179.08562	4.7
181.10139	4.6
182.07323	1.5
183.08063	8.6
185.05884	1.5
185.09657	2.2
187.03926	1.4
187.07610	3.9
188.08264	1.4
189.05432	4.1
190.07762	1.3
191.08583	4.4
194.07312	3.0
195.08066	1.1
197.05952	0.8
197.09686	3.6
199.07506	0.8
200.04723	0.9
200.08304	1.1
201.05489	4.6
201.09192	0.8
202.07803	1.4
203.06915	0.9
203.08554	2.8
203.10689	5.4
204.09431	0.8
207.08080	1.9
208.08844	0.8
209.09613	4.3
211.07565	8.7
213.05516	1.6
215.07054	13.3
215.10641	10.5
217.10187	1.2
219.08176	2.0
221.09758	1.3
223.11176	2.3
225.09140	3.6
228.09460	1.8
229.10153	1.2
230.09357	1.8
233.09624	1.5
235.07541	3.3
237.09084	6.8
243.10136	23.2
245.09671	2.8
247.11263	1.2
249.09119	2.1
251.10707	3.1
251.29259	0.7
253.08560	5.1
259.07126	0.7
261.12866	1.1
262.13626	1.4
263.10739	1.8
265.08624	1.2
267.10196	18.6
273.09082	2.1
275.10718	1.6
275.14362	1.0
278.13107	1.3
279.10260	4.5
288.11459	1.3
289.12231	1.8
290.12787	1.6
291.10193	4.4
293.12369	1.0
293.15320	4.0
303.13766	3.2
321.14865	100.0
322.15244	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	321.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03013	0.3
53.03936	0.7
55.01861	0.7
55.05491	0.5
57.07079	0.6
65.03940	0.9
67.05492	1.5
69.07076	2.8
79.05488	0.8
81.07050	0.7
91.05483	13.3
93.07059	0.7
95.04974	0.6
95.80415	0.3
98.21548	0.5
103.05476	5.4
105.03387	3.8
105.07028	3.6
115.05463	2.8
117.07018	1.8
119.04946	1.1
119.08553	0.7
127.07664	0.3
128.06236	1.7
129.07002	2.4
131.04927	3.5
131.08585	0.4
133.06496	0.5
141.07021	2.6
142.07779	0.4
143.04901	0.4
143.08540	1.2
144.05710	0.5
145.06470	2.1
147.04395	2.0
152.06299	0.5
153.06990	1.8
154.07753	0.5
155.08578	3.8
157.06458	1.6
159.04427	2.3
159.08031	0.8
160.05168	0.5
161.05972	3.5
161.09793	0.3
165.07001	4.7
166.07797	5.7
167.08557	1.4
169.06508	1.0
169.10193	0.4
171.08128	1.7
172.08798	1.3
173.06006	4.8
173.09622	0.8
174.06789	0.5
175.03931	1.4
175.07539	2.8
175.11124	0.6
177.05374	0.7
178.07788	5.8
179.08583	2.9
181.06560	0.6
181.10117	4.5
182.07291	1.1
183.08063	7.0
184.08893	0.5
185.05975	1.6
185.09573	1.9
187.03911	1.7
187.07549	3.5
188.08308	2.1
189.05458	3.7
189.07051	0.7
189.09050	0.5
190.07780	1.6
190.09927	0.9
191.08580	4.3
192.09305	0.5
193.10197	1.6
194.07263	2.5
195.08026	0.7
196.08943	0.3
197.05957	0.7
197.09648	3.0
199.07526	0.6
200.04633	1.7
200.08324	1.0
201.05469	7.0
201.09027	0.5
202.07849	0.7
202.09663	0.6
203.06949	0.7
203.08620	1.2
203.10677	5.7
204.09355	0.7
205.10141	0.9
206.07179	0.5
207.08060	1.5
208.08867	1.0
209.05989	0.5
209.09602	2.6
210.06839	0.6
211.07550	7.8
213.05457	1.5
213.09061	0.4
215.07019	9.5
215.10614	10.3
215.12703	0.7
218.07269	1.0
218.10954	1.4
219.08115	2.5
220.08701	0.6
221.09644	2.3
222.06563	0.3
223.07616	0.6
223.11151	2.6
224.08316	0.5
225.09019	2.7
228.07448	0.4
228.09348	1.3
229.10204	0.6
230.09325	1.8
231.08015	0.8
232.08971	0.4
233.09633	0.8
233.13431	0.7
235.07579	1.7
235.11218	0.5
236.08266	0.7
237.09096	6.9
238.09880	0.6
239.10719	0.7
243.10138	24.5
245.09645	1.3
246.10542	0.8
247.11229	1.0
248.08228	0.4
249.09079	2.2
250.09926	0.9
251.10675	4.3
253.08572	4.3
257.09702	0.8
258.27042	0.5
259.11066	0.5
259.27185	0.4
260.08298	0.6
260.12027	0.5
261.09073	1.2
261.12744	1.1
262.13467	0.5
263.06943	0.5
263.10699	1.8
264.07947	0.7
265.08679	1.0
265.11935	0.7
265.15900	0.5
267.10172	18.4
271.11133	1.1
272.11908	0.5
273.09061	1.8
275.10678	0.8
275.14273	0.4
276.07916	0.6
277.08621	1.1
277.11929	0.6
278.09561	0.4
278.12994	0.8
279.10229	7.7
281.11823	1.0
288.11386	0.8
289.12253	0.9
290.12970	1.0
291.10245	3.5
291.13538	0.5
293.08240	0.7
293.11844	1.0
293.15372	3.9
299.40402	0.4
303.13794	3.4
306.12540	1.4
320.30728	0.8
321.14853	100.0
321.30862	1.9
322.15161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1487
Annotation	Nigerapyrone B
Peak:m/z	Relative Intensity
50.80642	0.4
51.85491	0.4
53.03948	0.4
54.19539	0.3
55.01882	0.5
55.05505	0.5
57.07080	0.8
65.03933	0.9
67.05500	1.7
69.07074	3.4
71.29390	0.4
71.29754	0.5
79.05485	1.1
81.07065	1.0
82.44735	0.4
91.05487	12.4
95.04978	0.6
103.05472	5.5
105.03388	3.0
105.07044	3.2
107.05022	0.4
115.05452	3.2
117.07013	1.5
119.04955	0.9
128.06232	1.3
129.06999	2.5
131.04927	3.2
131.08563	0.5
133.06531	0.6
137.05977	0.5
141.07004	1.9
142.07707	0.5
143.08553	1.7
145.06497	1.7
147.04411	1.8
152.06274	0.6
153.07047	2.1
154.07777	0.6
155.08530	3.6
157.06487	1.4
158.07199	0.4
159.04445	2.5
159.08069	0.7
160.05153	0.8
161.05988	3.8
165.07004	4.2
166.07788	5.5
167.08476	0.9
168.05716	0.8
169.06500	1.1
171.08110	1.9
172.05173	0.5
172.08798	1.4
173.06010	3.8
173.09651	0.6
174.06828	0.5
175.03886	2.0
175.07576	3.1
177.05490	0.6
178.07780	4.6
179.08585	3.2
181.06509	1.1
181.10130	5.2
182.07289	1.4
183.08069	8.7
184.08864	0.6
185.06010	1.2
185.09637	1.7
187.03915	1.4
187.07558	4.2
188.08383	2.0
189.05470	3.2
189.07016	0.7
189.09084	0.8
190.07724	1.4
190.09882	0.4
191.08554	3.9
192.09219	0.4
193.10135	1.4
194.07280	2.6
195.08095	1.1
197.09584	3.5
199.03857	0.4
199.07652	0.6
200.04715	2.0
200.08272	1.0
201.05478	4.6
201.09116	0.4
202.07788	1.0
202.09880	0.8
203.06958	0.7
203.08597	1.2
203.10689	5.8
204.09361	0.9
205.10153	1.2
207.08115	1.9
208.08818	0.9
209.09625	3.2
210.06715	0.5
211.07541	7.4
213.05476	1.3
215.07028	10.8
215.08821	0.8
215.10625	9.8
217.10303	0.6
218.07263	0.6
218.10936	1.0
219.08167	1.9
221.09682	1.1
223.07611	0.8
223.11143	2.2
225.09079	3.2
228.07500	0.8
228.09384	1.5
229.10107	1.2
230.09406	1.9
231.08055	0.9
232.08859	0.9
233.09558	0.8
233.13216	1.1
235.07506	2.1
236.08517	0.9
237.09097	6.0
239.10759	0.7
243.10150	23.5
245.09665	1.5
247.11235	1.1
248.08359	0.5
249.09122	2.6
250.09842	0.5
251.10701	2.6
253.08546	4.7
259.07581	0.5
260.08243	0.5
260.12027	0.8
261.09167	0.7
261.12894	1.2
262.13528	0.7
263.07098	0.4
263.10718	2.0
264.07883	0.6
265.08679	1.1
265.12183	0.6
267.10175	20.7
271.11261	1.0
273.09119	2.2
275.10837	0.8
275.14331	0.8
275.60446	0.4
276.07968	0.7
277.08691	1.1
277.12018	0.5
278.12845	0.6
279.10165	4.8
279.13135	0.6
281.11725	0.8
288.11508	1.4
289.12317	1.6
290.13016	1.1
291.10220	3.8
293.11996	0.8
293.15375	3.4
303.13931	3.0
306.12604	0.9
321.14868	100.0
322.15265	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1486
Annotation	Nigerapyrone B
Peak:m/z	Relative Intensity
53.03942	0.6
55.01864	0.6
55.60836	0.4
57.07052	0.5
59.04987	0.4
63.70098	0.3
65.03946	0.8
67.05500	2.4
69.07066	3.0
70.10226	1.0
77.03915	0.3
78.73750	0.3
79.05483	1.5
81.07055	0.7
91.05482	13.3
95.04947	0.8
103.05472	5.4
105.03392	3.9
105.07030	2.7
107.04949	0.4
115.05470	2.4
117.07014	1.8
119.04909	0.7
121.06498	0.4
128.06219	1.5
129.06987	2.9
131.04939	3.4
131.08653	0.4
133.06496	0.5
141.06975	3.2
142.07730	0.6
143.08565	1.1
145.06458	2.2
147.04388	2.7
149.06139	0.4
152.06206	0.8
153.06981	2.1
155.04877	0.5
155.06010	0.5
155.08537	4.0
157.06477	1.2
158.07254	0.4
159.04428	2.8
159.08023	1.1
160.05247	0.8
161.05974	3.2
165.06982	4.7
166.07799	5.0
167.08559	1.2
168.05775	0.5
169.06502	0.8
171.08011	1.9
172.05234	0.4
172.08849	1.0
173.05963	4.3
173.09621	0.8
174.06779	0.7
175.03915	1.9
175.07532	2.6
175.19424	0.3
177.05504	0.9
178.07777	5.4
179.08528	3.4
180.09315	0.5
181.06503	1.0
181.10136	4.7
182.07217	1.1
183.08061	8.3
185.06003	1.0
185.09612	1.9
187.03893	1.5
187.07527	3.4
188.08298	2.0
189.05478	3.7
189.07018	0.5
189.09064	0.3
190.07784	1.3
190.09882	0.5
191.08557	4.4
192.09341	0.5
193.10107	1.5
194.07266	2.0
195.08072	0.6
197.05988	0.6
197.09607	3.7
199.07454	0.6
200.04630	2.3
200.08202	0.5
201.05461	6.0
201.09021	0.6
202.07858	0.6
202.09856	1.0
203.06952	0.9
203.08592	1.8
203.10674	5.2
204.09311	1.1
205.10155	1.1
207.08102	1.6
208.08765	1.9
209.09627	3.2
210.06732	0.5
211.07556	7.6
212.08328	0.5
213.05493	2.0
215.07033	10.1
215.10614	10.5
215.12709	0.8
217.10184	0.5
218.07274	1.0
218.10930	0.8
219.06250	0.4
219.08145	2.8
220.08707	0.5
221.09541	1.8
222.10344	0.5
223.07472	0.5
223.11186	2.2
225.09116	2.9
228.07480	0.6
228.09351	1.5
229.10144	0.9
230.09375	2.1
231.08047	0.9
232.08865	0.7
233.09589	0.8
233.13237	0.7
235.07571	1.8
236.08287	1.2
237.09122	7.2
238.09944	0.6
239.10616	0.8
242.10764	0.6
243.10133	25.5
245.09633	1.5
246.10422	0.7
247.07623	0.5
247.11281	0.9
248.08246	0.5
249.09081	2.3
250.09918	0.5
251.10680	3.5
253.08554	4.8
255.10234	0.6
259.11282	0.4
260.12027	0.5
261.09073	0.9
261.12759	1.7
262.10037	0.4
262.13596	0.4
263.07260	0.5
263.10681	1.8
264.11478	0.4
265.08636	1.3
265.12119	0.4
267.10168	17.5
271.11130	0.7
272.12054	0.5
273.09036	2.1
274.09695	0.4
275.10751	0.9
275.14462	0.8
276.07773	0.6
277.08630	1.2
277.11865	0.4
278.09396	0.6
278.13116	0.9
279.10208	5.7
279.13455	0.6
281.11786	0.7
288.11441	1.0
289.12256	0.9
290.13062	1.3
291.10187	4.5
291.13495	0.5
293.11691	1.0
293.15363	4.5
303.13818	2.7
306.12354	0.9
321.14847	100.0
322.15158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1487
Annotation	Nigerapyrone B
Peak:m/z	Relative Intensity
55.01870	0.6
56.80472	0.6
57.07066	0.8
57.83488	0.4
62.06093	6.2
65.03942	1.0
67.05508	3.0
69.07066	3.1
69.50107	0.5
70.42641	1.1
70.48244	0.5
77.03933	0.5
79.05492	1.4
81.07050	1.9
83.04968	0.5
91.05489	12.4
92.05822	0.6
93.07048	1.9
94.07396	0.6
95.04979	0.6
95.08578	1.1
103.05470	4.6
105.03404	3.0
105.07042	3.9
107.08575	1.1
115.05464	1.6
117.07010	2.1
119.04944	1.2
119.08625	0.5
121.10217	0.7
128.06209	1.3
129.07002	2.7
131.04938	4.0
131.08533	0.6
133.06480	0.7
133.10188	0.8
135.11655	0.6
141.07033	2.6
142.07762	0.7
143.08559	1.2
145.06497	2.1
147.04420	1.7
149.05963	0.6
153.06993	1.8
154.07803	0.7
155.08534	3.7
157.06503	1.8
159.04414	1.9
159.08070	0.9
160.05209	0.8
161.06010	3.2
165.07018	4.4
166.07794	5.4
167.08531	1.5
169.06508	1.4
171.08044	1.9
172.08855	1.7
173.05978	3.5
173.09656	0.7
174.06654	0.4
175.03912	1.8
175.07494	2.3
175.11192	0.6
176.15132	0.5
178.07803	4.7
179.08618	3.2
181.06500	1.1
181.10146	4.4
182.07272	1.4
183.08058	8.4
185.06013	1.3
185.09566	1.8
187.03928	1.3
187.07584	3.3
188.08307	1.6
189.05479	2.8
189.09209	0.8
190.07779	1.5
191.08556	3.4
192.09328	1.0
193.10152	1.0
194.07274	2.9
195.07993	1.0
197.05951	0.9
197.09624	3.3
200.04742	2.2
200.08403	1.1
201.05482	4.2
201.09180	0.6
202.07809	0.8
202.09850	0.6
203.06851	0.8
203.08580	1.8
203.10695	4.8
204.09406	0.7
205.10153	1.1
206.07294	0.7
207.08086	1.7
208.08821	1.2
209.07982	0.4
209.09654	3.2
211.07559	8.3
212.08253	0.6
213.05383	1.0
215.07036	11.8
215.08826	0.8
215.10616	9.8
215.99158	0.4
217.10083	0.5
218.10966	0.9
219.08153	2.5
220.08604	0.4
221.09645	1.3
223.07690	0.8
223.11214	1.8
225.09142	2.8
228.09462	0.9
229.10097	0.6
230.09419	1.7
232.08913	0.6
233.09612	0.7
235.07539	2.1
235.11299	0.6
236.08353	0.8
237.09111	6.7
239.10674	0.7
243.10144	22.0
245.09613	2.1
246.10382	0.6
247.11263	0.9
249.09096	1.8
250.09903	0.6
251.10608	2.8
253.08601	4.9
259.11160	0.4
260.12112	0.6
260.20920	0.8
261.09161	0.8
261.12772	2.0
263.10785	1.4
264.07632	0.6
264.11490	0.5
265.08630	1.0
265.12021	0.5
267.10181	17.0
271.11148	0.7
272.11765	0.6
273.09100	1.7
275.10754	1.2
275.14117	0.8
276.07898	0.6
277.08716	1.0
277.12213	1.1
278.09393	0.6
278.12885	0.7
279.10168	5.2
279.13272	0.7
281.11676	0.7
288.11456	1.1
289.12234	1.8
290.13040	1.3
291.10141	4.5
293.12018	0.7
293.15311	4.6
303.13895	2.6
306.12540	1.2
321.14868	100.0
322.15173	1.7
322.36194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1448
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
55.01867	1.4
56.96555	3.9
60.02254	1.5
65.03932	2.8
67.05502	9.2
69.03423	4.9
70.04109	6.4
70.06590	2.4
72.08138	2.9
79.05489	2.8
81.07036	1.7
81.30486	1.3
84.08125	1.6
85.02892	4.1
91.05466	2.6
93.07024	4.2
94.06562	9.5
95.04966	4.0
96.08128	2.1
97.02867	3.1
98.06038	1.3
98.97589	4.8
108.08101	7.4
109.02811	2.0
110.06047	3.4
110.09671	3.0
120.08071	4.7
122.06042	8.7
123.06806	2.3
124.07613	2.0
128.07037	1.4
129.06931	1.4
131.07320	1.6
134.06003	6.1
134.09688	1.9
136.07576	9.1
138.05507	26.1
138.09135	5.3
144.08095	2.1
146.08365	2.5
147.04384	1.8
148.07544	4.7
152.07098	3.6
155.06097	1.9
156.06592	9.6
158.09641	4.8
158.99716	1.5
159.10342	2.2
162.05466	2.4
164.07079	5.1
166.08662	12.5
167.07066	1.5
169.08838	2.4
171.05405	1.7
172.07675	1.9
173.07117	5.8
173.10765	1.8
174.07887	4.8
175.12276	2.3
179.06958	1.6
181.08914	2.0
184.11240	2.6
186.09207	3.1
189.06619	4.4
189.10226	8.1
195.09206	4.2
196.09950	13.8
197.08319	1.9
197.10625	3.5
199.05034	4.4
201.10222	2.3
202.08633	5.7
202.10895	4.0
202.12523	2.4
203.11778	5.0
206.08379	27.1
209.07088	3.0
210.11534	3.0
211.08673	2.8
211.12309	12.7
212.09215	1.9
212.11009	2.2
214.08626	6.0
215.09384	4.2
217.06064	6.2
219.01674	2.5
219.07002	1.7
220.09889	5.6
221.10773	12.8
223.08766	8.4
224.09492	9.1
225.10158	2.3
227.08127	8.3
230.11726	4.7
232.09647	1.9
235.07146	8.7
237.02847	1.7
237.10254	5.3
238.10968	9.5
239.08154	2.9
239.11818	29.2
240.10168	3.5
241.09717	2.8
244.12173	6.9
254.10406	2.2
255.11497	1.7
257.12875	14.0
258.11191	8.2
262.13089	3.3
267.11307	64.5
272.11490	4.6
275.13937	7.8
276.12411	12.9
285.12354	100.0
290.12598	5.1
293.14731	1.8
303.06174	3.6
303.13400	74.4
304.11801	6.3
321.11038	8.1
321.14496	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	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09850	0.5
53.03939	0.8
65.03931	0.7
67.05514	10.6
69.07067	0.7
69.47707	4.9
72.86002	0.6
77.03916	0.9
79.05511	1.6
81.03414	1.9
81.07059	2.4
85.02921	1.3
85.06548	0.8
91.05478	2.2
92.85883	0.6
93.07052	2.6
94.06569	9.6
95.04967	1.0
95.08620	2.6
97.02911	1.1
97.06510	0.7
105.07024	0.8
107.04935	0.8
108.08110	1.0
109.10163	0.8
119.08594	0.7
121.10140	1.2
122.06043	31.2
126.05540	1.2
131.08559	0.7
133.10144	1.0
136.07588	62.6
137.06049	0.6
140.07104	0.8
145.02800	1.7
145.10164	0.8
149.09538	0.9
149.10693	0.7
151.11282	0.8
157.10287	0.6
161.09569	0.7
162.05502	0.7
164.07079	100.0
165.07420	1.1
172.71490	0.7
175.04025	1.1
177.05469	2.1
182.08142	73.8
203.03452	2.0
221.04247	0.6
259.14542	1.0
293.08627	0.9
304.11847	1.2
312.17426	0.6
321.07541	12.2
321.11163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.06599	1.3
65.03922	2.1
67.05513	13.7
69.07085	1.4
71.58260	1.1
71.58653	1.2
72.08176	1.2
79.05486	2.3
81.03402	1.7
81.07053	3.9
91.05489	3.3
93.07043	4.1
94.06568	13.7
95.04968	2.9
95.08624	4.0
105.07047	1.9
107.08591	2.6
109.10126	1.7
121.10141	1.7
122.05176	1.9
122.06042	38.4
130.06714	1.4
136.07593	66.4
140.07097	1.7
145.02879	1.7
147.04457	1.4
149.01328	1.5
164.07079	100.0
169.48412	1.4
175.03928	2.0
182.08142	60.6
203.03375	2.9
216.10223	3.4
237.11118	1.5
258.11261	1.9
261.26956	1.4
285.12021	1.3
293.08374	1.8
303.13467	2.2
304.11801	3.1
311.70999	1.2
321.07468	19.3
321.10623	1.8
321.14499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1334
Annotation	oleuropein (dialdehyde form)
Peak:m/z	Relative Intensity
53.03935	1.2
55.01870	2.9
55.05500	0.9
57.03426	0.7
65.03922	0.7
67.05508	2.8
68.99792	1.4
69.03417	1.0
69.07058	1.9
70.81769	1.1
77.03925	0.5
77.73561	0.5
79.05056	0.7
79.05493	10.3
81.03410	1.5
81.07056	4.6
83.04983	1.6
85.02895	0.6
85.06550	0.7
91.05483	2.7
93.03409	0.9
93.07043	3.8
95.04974	5.2
95.08600	2.0
97.02915	0.5
97.06506	1.8
99.04453	3.7
103.05468	4.5
105.07034	31.9
106.04196	0.5
107.04959	19.2
107.08598	2.1
109.02884	1.0
109.06490	1.6
109.10150	1.7
111.04441	2.8
111.08069	1.2
115.05460	5.7
117.03400	0.5
117.06989	0.5
118.04176	2.3
119.04945	0.6
119.08552	1.8
120.13666	0.5
121.06489	5.1
121.10130	1.5
123.04433	55.3
124.05240	2.5
125.06018	2.8
125.09693	0.5
127.03895	3.8
130.04129	0.5
131.04924	2.9
131.08568	1.4
132.05739	0.8
133.02892	0.6
133.06497	29.6
133.10127	1.0
135.11696	0.5
137.05949	0.9
139.07501	2.5
141.06999	0.9
143.04987	0.6
143.06017	2.3
144.05727	1.1
145.02826	1.2
145.10150	0.6
147.11691	0.9
148.05157	0.6
149.05981	11.9
149.09541	0.5
149.13298	0.6
151.11156	0.5
152.04675	1.2
154.06311	0.5
155.07022	0.9
157.06694	0.5
159.08086	0.9
161.05981	45.8
165.05576	0.7
165.09082	0.6
167.07043	100.0
168.07405	0.9
171.11539	0.5
176.04561	0.5
177.05469	1.8
178.05002	1.1
187.07550	1.3
191.07050	2.4
193.08604	20.1
195.10028	0.5
217.08568	0.6
219.10133	2.2
269.07953	0.5
303.12289	2.8
303.23032	1.0
321.10080	0.7
321.13385	9.2
321.24423	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84521	0.4
54.39004	0.4
56.96325	0.6
56.96572	6.3
57.03426	0.7
58.06597	0.6
60.08154	0.8
61.02914	1.7
69.03428	1.6
69.62725	2.7
70.06590	1.3
70.98113	0.5
71.97990	0.4
72.08161	5.8
73.02903	0.5
82.56597	0.4
84.08131	1.2
84.96054	0.9
85.02915	2.4
88.99133	0.5
91.02470	0.4
95.06082	1.0
96.08132	1.4
97.02934	0.8
98.21587	0.5
98.97581	9.0
100.99147	0.8
101.00899	2.3
104.10746	13.0
108.70792	0.6
109.02942	0.6
110.97577	1.3
111.05565	2.4
112.07616	1.1
112.99133	2.8
113.00907	0.8
114.09159	1.2
115.02464	1.1
116.98604	2.4
119.01944	3.3
123.05560	1.6
127.03925	1.1
128.98633	1.4
129.03941	0.6
130.08762	0.5
131.00157	2.4
131.01932	1.3
133.03452	2.2
134.99675	0.7
135.03224	0.7
137.02919	0.6
139.02437	0.6
141.06606	4.2
142.08684	0.5
143.00174	1.6
143.01875	0.8
144.98009	0.7
145.01701	0.5
145.03458	1.7
146.99643	0.6
147.05052	0.6
149.01204	1.1
151.02661	0.5
152.89691	0.5
155.01926	0.6
156.98048	0.6
157.03516	1.2
158.99673	1.4
159.05072	1.1
159.06380	0.9
159.07603	3.1
160.09706	2.1
161.01329	0.6
161.02995	0.8
162.99066	0.6
163.02856	0.6
164.01505	0.5
165.00748	0.6
169.00020	0.6
170.99696	1.1
171.04985	0.7
173.01390	0.6
173.02959	1.0
174.99185	0.9
177.00700	1.1
185.02983	0.5
187.00862	0.8
189.00775	1.3
189.02434	0.6
191.02342	0.7
191.03990	0.6
193.00275	0.7
193.03891	1.5
201.00729	1.6
207.01730	1.5
215.00449	0.7
219.01791	1.6
219.07210	1.2
221.05151	1.1
225.02780	0.6
231.07066	0.5
233.05106	0.8
245.05132	0.6
247.03102	0.9
253.07744	0.6
261.02820	1.7
261.08417	0.8
262.28247	0.5
279.03879	1.1
279.09695	0.5
289.02176	0.8
304.13980	0.6
321.11572	100.0
322.11795	0.9
322.15002	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.7
60.08166	0.7
69.03436	0.5
71.56528	0.4
79.65633	0.4
83.04953	0.6
98.97631	0.9
101.00843	0.6
104.10749	25.4
112.07642	1.8
114.09120	0.6
119.01957	0.5
130.08609	0.7
131.01891	0.7
133.03452	0.9
155.01897	0.8
158.08125	0.5
159.06348	0.5
171.05084	0.7
174.11336	0.7
177.05936	0.5
219.07213	0.6
221.05042	0.5
231.07178	0.9
242.46924	0.4
245.05090	0.5
255.25072	0.4
261.08218	0.8
279.09241	0.8
321.11597	100.0
322.11963	0.9
332.17889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.96
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02132	1.1
56.96325	2.0
56.96571	25.8
60.12755	1.3
69.03425	1.6
71.56284	1.8
71.95247	4.9
72.96104	1.4
84.96050	1.7
85.02885	3.3
97.02915	3.1
98.97588	77.1
99.14371	1.5
102.96864	2.4
110.97570	5.4
116.98631	41.2
119.01913	3.9
127.03941	2.1
128.98592	3.7
130.33115	1.5
130.93298	1.7
131.00197	1.7
134.99667	9.5
145.03433	2.2
146.99625	1.6
149.24921	1.4
154.93272	1.6
156.96596	3.6
169.21964	1.5
172.94406	3.3
174.97682	13.0
174.99135	2.3
176.90132	1.5
177.00812	2.3
189.02394	1.5
190.95444	2.0
192.98730	6.5
194.91222	13.1
198.97650	6.1
210.88953	2.3
212.92256	22.3
214.95361	1.8
216.98712	85.7
218.91257	1.7
228.90210	1.7
230.93289	11.7
233.96759	1.4
234.99768	100.0
236.92300	6.7
248.94366	3.7
253.00899	1.7
253.07425	1.6
254.93315	40.9
255.93669	1.6
258.01291	2.3
258.99741	2.5
259.99915	1.9
260.02765	1.7
270.91101	1.9
272.94391	88.3
273.94720	1.9
274.97589	3.0
277.00760	1.6
288.92081	3.3
290.92569	1.5
290.95480	33.7
295.96146	3.2
296.94336	7.3
314.95450	32.8
315.17810	1.4
316.96082	1.9
332.96738	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	321.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44481	0.7
55.01859	0.9
56.96570	27.2
57.03431	1.9
61.02917	1.7
67.05501	1.1
69.03437	4.8
69.07070	1.8
70.01057	3.3
70.06585	2.2
71.95253	1.7
72.08153	0.9
73.02904	1.8
81.03408	1.8
82.05326	1.1
84.04536	0.8
84.95583	1.1
84.96046	12.8
85.02902	7.2
85.06542	1.4
87.04464	1.5
94.06612	0.8
95.04965	0.9
97.02916	4.6
97.96818	1.9
98.21362	1.0
98.97592	100.0
99.04496	1.2
102.97031	0.8
109.02825	1.2
110.05951	0.9
110.97583	24.2
112.07616	2.7
112.99123	2.8
116.97803	1.7
116.98624	25.8
124.07555	0.9
124.99086	4.2
125.78279	0.9
126.97030	2.1
127.03940	1.6
128.98610	17.1
130.08607	0.8
131.00204	4.1
134.99677	4.8
137.05977	3.5
140.00186	1.1
140.07083	1.1
140.98592	5.4
143.00162	10.0
144.98117	4.2
145.04996	1.0
146.99689	6.7
149.01279	0.9
152.98598	11.4
155.00166	2.0
155.04689	1.3
158.99672	16.3
159.03331	1.9
160.31177	0.8
161.01270	5.5
162.99130	2.2
169.04774	0.9
170.99669	10.4
173.01201	1.5
177.00708	12.0
177.04358	1.6
186.07587	3.4
187.02861	0.8
189.00728	4.0
189.04285	0.9
193.03859	1.0
195.01649	1.3
199.02582	0.9
201.00752	5.3
201.04318	1.6
212.06279	1.0
219.01782	28.9
234.12311	0.9
234.99023	1.3
235.54327	0.8
237.02841	29.8
242.93513	0.9
261.06427	10.9
279.07544	75.9
297.08533	9.3
302.09174	2.0
304.09290	1.4
321.08533	53.2
321.11682	6.6
321.20358	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.8
56.05036	1.4
57.03446	1.8
58.06608	1.4
60.08181	1.1
65.03938	2.5
65.44768	1.0
67.05489	2.9
69.03419	1.3
69.07069	4.4
69.46795	3.5
69.47218	5.8
70.06597	2.9
72.08157	3.3
74.02441	4.8
76.52580	1.2
79.05502	2.1
81.07063	3.2
82.06583	2.0
83.04984	28.5
84.08149	6.1
85.06556	5.8
85.08929	17.2
86.00672	1.4
86.09710	42.6
87.08092	3.6
91.05485	1.6
93.03416	4.0
93.07066	2.0
94.06564	2.5
95.04983	2.1
95.08603	1.9
96.08147	1.6
97.06525	7.6
98.09703	5.8
100.07655	7.0
100.11230	2.2
101.06017	2.1
102.09189	14.5
107.08549	1.6
108.08121	2.0
110.06073	1.5
110.09686	2.1
111.04488	1.6
112.07599	2.2
112.11271	1.7
113.04205	1.4
115.07564	9.0
119.12096	1.1
120.04427	1.3
121.10123	1.9
122.06030	3.7
124.07571	3.1
125.05997	13.0
126.09162	9.0
128.10728	38.1
129.07097	1.4
130.06650	1.3
130.08646	3.0
132.08096	2.0
132.10193	3.9
138.05547	2.8
138.09143	7.4
140.07094	1.7
144.08070	1.5
146.06001	5.1
148.03957	1.6
152.07083	8.0
154.06581	1.8
156.08311	4.8
156.10173	6.9
160.13358	3.3
166.05022	19.4
168.13876	24.5
169.07617	1.5
171.09177	4.2
174.09065	1.4
174.11281	21.3
176.03485	3.0
178.12242	3.5
182.05978	8.2
183.09279	1.6
184.09938	1.9
188.07132	3.5
188.12749	1.8
194.04541	3.3
196.13353	14.7
197.07167	1.7
198.07817	1.6
198.09477	1.7
199.08681	1.5
199.12341	2.4
200.10799	2.4
206.13850	9.4
211.08681	2.0
212.09439	4.9
213.10338	1.9
214.14450	2.7
215.11810	2.4
216.10423	6.2
225.10229	3.4
226.09030	2.0
226.11006	9.3
227.08128	1.6
227.11777	11.1
228.10207	4.4
228.16026	2.9
229.09703	3.4
238.08714	1.3
240.08998	2.8
241.19150	2.3
242.08102	2.9
242.13922	4.7
243.07860	2.7
243.11325	6.5
245.13052	1.6
254.10509	2.1
255.11287	16.5
256.15320	1.4
257.09116	2.1
259.10983	3.9
260.09198	7.3
269.18530	1.5
270.09958	10.5
271.10794	14.7
272.11539	22.8
273.12350	38.7
274.10538	1.4
274.16562	5.2
277.12967	2.3
283.10770	19.8
287.19659	33.5
289.12048	1.4
301.11850	69.5
302.12134	2.4
319.12848	24.9
319.22287	100.0
320.22467	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01876	2.8
55.05518	2.8
56.05041	2.7
56.96570	27.6
57.03437	1.9
57.05371	0.4
57.07071	0.7
58.06603	5.2
59.05013	0.6
59.06940	0.6
60.95850	1.0
61.02924	1.6
64.77112	0.4
65.03972	0.4
66.83399	0.4
67.05159	0.4
67.05488	2.2
68.05039	1.0
69.03433	27.9
69.07065	1.1
70.03764	0.4
70.06601	3.1
70.56640	0.8
70.57005	1.0
70.98127	9.1
71.01347	0.4
71.04999	5.7
71.07384	2.3
71.95269	2.0
71.98472	1.0
72.04517	1.1
72.08160	4.2
72.96037	0.7
73.02928	2.3
73.06551	1.4
73.08476	1.3
74.06070	1.4
74.97597	0.8
80.05002	0.4
81.03420	2.0
81.07044	0.5
81.42043	0.4
82.06586	7.9
83.04983	6.4
84.04498	1.4
84.08148	35.6
84.96021	2.7
85.02907	8.7
85.06546	2.3
85.08475	3.0
86.03252	0.7
86.06069	7.2
86.09740	2.1
87.04459	1.2
87.10043	0.6
88.07629	1.6
88.99187	2.2
91.03935	0.6
91.05478	0.6
94.06584	0.8
95.04983	0.6
96.04520	2.6
96.08143	2.2
97.02897	25.3
97.06554	0.9
97.96826	0.3
98.03268	0.5
98.06070	3.8
98.09172	0.5
98.09711	5.8
98.97588	40.3
99.04444	1.2
99.09406	0.6
99.10027	3.7
99.97929	3.5
100.07629	2.9
100.97206	0.6
100.99184	0.5
101.06023	4.2
102.02297	0.4
102.05572	0.4
102.09178	1.5
102.96872	2.2
106.06540	0.4
108.08121	0.9
109.02874	1.6
110.06046	11.9
110.07169	0.5
110.09670	0.9
110.97575	5.7
111.03699	0.5
111.04455	8.4
111.10027	1.1
112.07606	5.1
112.11246	1.6
112.99132	1.9
113.06007	1.6
113.07951	1.2
113.11580	2.6
114.05547	0.5
114.09177	20.8
115.00684	0.7
115.03976	0.5
115.07590	0.4
116.10742	15.7
116.98628	16.9
117.10393	0.8
117.11077	15.8
117.98977	1.5
119.01852	1.2
119.04890	0.5
120.97926	1.2
121.06535	0.5
124.07578	2.5
124.99122	0.7
125.06017	1.0
126.05508	1.5
126.09158	1.0
127.00681	0.8
127.03947	2.7
128.07085	95.9
128.10730	1.6
128.98604	4.5
129.05492	1.1
130.01920	0.4
130.08640	2.9
131.00185	1.7
131.01843	0.4
132.10191	2.2
133.01599	0.5
133.03435	0.6
134.04984	0.5
134.06015	0.5
134.99664	4.6
136.00000	0.5
136.07599	2.1
137.05984	1.8
138.05518	1.9
138.09135	0.6
139.03949	4.2
139.05804	0.8
139.09477	0.7
140.00267	0.6
140.07085	2.6
140.98666	0.6
142.08604	1.2
143.00194	2.3
144.06537	2.1
144.98065	0.7
145.01740	1.1
145.04984	0.9
146.08112	3.8
146.11766	11.9
146.99611	2.4
147.03267	0.8
147.04393	0.8
148.03799	0.6
149.01230	1.3
149.05917	0.4
150.09158	1.0
151.02621	0.5
152.07057	0.8
152.98618	0.7
154.05090	0.5
154.08604	2.1
155.04686	1.0
155.08128	0.6
155.54874	1.1
156.05048	0.4
156.06555	1.1
156.10181	0.7
157.01714	2.4
157.04315	1.5
157.04970	3.6
157.06914	0.5
158.11842	0.5
158.99655	6.1
159.03308	0.5
160.06479	0.6
160.09727	0.8
161.01227	2.0
161.05965	0.7
162.99028	1.4
163.02684	0.5
164.07025	1.5
165.00801	0.5
166.04892	1.0
167.07025	0.5
168.10216	3.3
170.99716	0.8
171.03174	0.8
172.94339	1.0
173.01257	1.0
173.04883	0.8
174.05260	0.7
174.09775	0.8
174.11275	15.9
174.99072	0.5
175.02765	3.7
176.93671	0.6
177.00754	4.5
177.04228	0.5
178.08636	4.0
180.06526	0.6
181.00034	0.9
182.08121	1.1
184.09711	0.6
187.02863	0.5
189.00662	0.9
189.04324	0.5
190.95401	0.6
190.98619	0.6
191.02307	1.0
192.12302	0.5
193.03828	1.2
196.09717	6.2
198.04398	0.4
199.02834	2.0
201.00732	1.4
201.04317	0.7
201.09933	0.9
203.02170	0.5
203.11255	0.5
205.00235	1.2
206.08150	2.7
207.01784	0.7
208.02861	0.5
208.04776	0.4
213.03435	0.5
214.10764	5.3
214.95442	0.7
216.05774	0.4
217.00278	0.7
217.03824	4.9
217.05525	0.6
217.09196	0.5
218.04185	1.4
219.01752	4.3
219.03610	0.5
219.05383	0.7
219.11012	1.3
224.09192	17.6
225.03082	0.7
226.03645	0.5
227.06885	0.6
227.56831	0.6
228.56703	1.3
229.06345	4.6
232.12317	0.6
232.96495	1.2
233.12511	3.1
235.01176	0.9
235.04912	1.3
236.95798	1.0
237.02731	4.1
237.57600	0.5
238.06981	2.1
238.10788	0.8
241.03925	1.3
242.04193	2.1
242.10246	8.0
243.58247	0.6
244.08662	0.7
245.08940	1.6
251.04434	0.8
251.13660	1.2
255.07362	0.7
256.11835	1.0
260.05231	0.8
260.14957	4.6
262.09711	1.5
263.00690	0.5
263.09799	2.1
268.08560	0.6
269.05930	0.6
269.08820	5.0
269.15030	1.1
274.07019	0.8
274.12854	4.3
276.11121	0.6
276.99466	0.4
277.02338	0.7
277.06168	0.5
277.11575	4.3
287.09982	5.3
287.16016	13.7
291.07623	0.6
292.07727	0.7
295.06708	1.6
295.12698	2.3
296.09109	0.5
301.11487	0.6
301.17599	2.4
305.11084	2.9
309.08646	1.9
310.09052	0.7
313.07785	1.4
318.60703	0.8
319.07312	6.5
319.13446	25.6
319.18677	100.0
320.19016	0.5
337.08124	4.8
337.13577	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54070	0.9
53.03951	0.8
54.03463	0.7
55.37190	0.8
56.05042	6.3
57.05814	2.2
59.06117	0.7
60.05634	2.4
61.33985	0.7
65.03929	1.0
69.04548	1.7
70.06587	2.1
70.12936	2.5
70.13281	0.8
79.05487	1.3
83.06100	2.8
84.04525	0.9
87.05580	1.1
92.05038	0.8
95.06094	3.6
97.02916	1.1
101.09351	0.9
104.05003	0.8
106.06519	1.4
111.05572	7.4
111.26120	0.7
112.08700	1.2
113.07162	4.5
117.05725	0.9
118.06593	0.9
120.04477	3.7
122.07131	0.7
123.05530	1.4
126.06635	6.8
126.09147	1.6
127.07403	2.3
129.05519	0.7
130.06445	1.1
132.03574	1.2
132.04463	14.5
132.08078	1.6
134.06050	4.8
137.04729	1.6
138.09184	0.9
140.08176	2.6
141.10201	4.1
148.03917	2.3
150.05498	8.3
151.06149	8.7
152.07027	1.6
157.04919	0.9
159.09218	0.8
161.05931	0.8
165.06554	1.1
166.05040	5.1
173.07182	1.3
174.05434	1.0
176.03395	1.5
176.07028	2.5
178.05013	0.9
187.08684	4.6
189.06554	1.9
202.09782	4.8
203.08167	5.9
215.08160	1.0
216.11206	0.9
219.07640	0.8
230.09198	3.6
231.07678	27.9
232.10846	1.8
233.09116	2.0
233.13977	8.3
239.16309	0.8
242.09302	2.7
246.08760	1.2
257.10345	5.4
259.11917	26.2
260.10181	1.0
277.12958	100.0
278.13181	1.7
283.10794	3.6
284.11459	7.7
301.11713	2.7
301.14508	1.4
302.12485	51.2
319.15253	87.0
320.15561	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	319.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44561	0.4
53.03936	0.5
55.01869	0.5
55.05515	1.3
56.05038	1.3
56.96562	0.8
57.03426	0.8
57.20013	0.4
60.05644	0.4
63.07510	0.4
65.03934	0.5
67.05518	0.9
69.03416	1.3
69.07078	1.3
70.06585	1.0
71.04997	0.6
72.08158	5.0
79.05517	1.2
81.03417	0.5
81.07059	1.4
82.06583	0.9
83.04980	1.6
84.08141	1.1
85.02906	2.6
85.06535	1.1
86.09712	4.7
86.92148	0.4
87.04482	0.6
87.05611	0.5
91.05460	0.9
93.07066	0.4
95.04938	0.8
95.08586	0.5
96.08132	0.5
97.02895	1.5
97.06546	0.7
98.97569	0.7
99.08141	0.6
100.07630	0.6
102.09193	1.5
109.02854	0.5
109.06627	0.4
109.10211	0.4
110.06037	0.7
110.09682	0.7
113.06013	0.8
120.04494	0.8
121.10151	0.8
125.06019	0.9
126.09171	0.9
127.03929	0.6
128.07101	0.8
128.10719	0.5
130.08661	0.4
132.04488	1.2
132.10187	0.4
133.10092	0.6
134.06009	0.6
136.07550	0.5
137.05891	0.4
138.05455	0.7
138.09145	1.0
139.07617	0.5
139.09456	1.0
140.07126	0.6
141.10233	0.8
146.05992	0.5
150.05545	1.2
151.06169	0.6
152.07074	0.5
153.05566	0.4
156.10214	4.6
157.05051	0.7
157.07559	0.9
157.08670	1.6
157.10582	5.2
158.09651	0.5
159.11386	0.8
160.11641	1.0
161.05942	1.0
167.07317	0.7
168.13858	1.5
170.08406	0.6
171.09152	1.6
174.09135	1.2
174.11224	0.6
178.05003	0.7
183.09195	0.6
184.09999	1.7
187.08702	0.5
194.08385	0.8
196.13472	0.9
198.07893	1.4
199.08672	2.0
199.12309	1.5
200.10764	1.4
203.08179	1.0
206.13971	0.6
209.10789	1.2
210.09296	0.5
210.11574	0.7
211.08696	2.4
212.09375	4.1
213.10263	4.2
225.10258	3.9
226.11020	10.5
227.11804	11.8
228.10214	5.3
229.09702	0.7
230.07896	2.7
231.07669	2.4
240.08934	0.7
241.09828	1.0
245.12904	0.6
254.10513	1.1
255.06686	0.5
255.11299	8.6
256.06894	0.6
257.09778	0.5
259.12085	2.3
270.10007	17.9
270.12927	0.9
271.10727	3.8
272.11572	15.2
273.07700	0.6
273.12341	8.7
277.12936	7.2
283.10794	8.3
284.11398	1.2
287.19760	1.3
300.62268	0.5
301.11847	100.0
302.12524	6.2
319.12686	29.7
319.22165	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	319.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01870	0.2
55.02106	0.1
55.05523	0.4
55.05736	0.1
57.07064	0.1
60.20526	0.1
67.05495	0.3
69.03417	0.3
69.07056	0.3
69.42768	0.6
71.04999	0.3
75.96844	0.1
77.71414	0.1
79.05483	0.5
81.07057	1.1
83.04967	0.2
83.08625	0.2
85.06541	0.2
87.04475	0.2
91.05473	0.3
93.07045	0.7
95.04964	0.2
95.08613	0.7
97.06523	0.2
97.10144	0.1
98.20739	0.2
99.04442	0.1
105.07038	0.8
107.08608	0.5
109.06531	0.3
109.10159	0.5
109.54195	0.1
111.04449	0.1
113.06010	0.3
114.03143	0.1
116.30444	0.1
118.04158	1.9
119.08578	0.4
121.06522	0.3
121.10135	0.5
123.04425	0.3
123.08070	0.1
123.11673	0.2
125.05988	0.4
125.54893	0.1
127.03890	0.1
129.05486	2.9
131.08598	0.1
133.06519	0.2
133.10150	0.2
135.08055	0.3
135.11676	0.4
137.05989	3.0
137.13240	0.1
138.03192	0.1
139.03917	0.7
141.05450	0.4
141.06998	0.1
143.08597	0.1
145.10100	0.2
146.03638	3.9
147.11681	0.2
148.05215	0.3
149.05963	0.2
149.09566	0.1
149.13312	0.3
153.05446	0.4
153.06856	0.1
157.04971	4.8
157.10159	0.1
159.08078	0.1
159.11665	0.2
161.05984	100.0
162.06316	0.8
163.07483	0.5
163.11198	0.1
163.14850	0.2
167.10640	0.1
169.06477	0.1
170.07332	0.2
171.08047	0.1
171.11615	0.1
174.06706	0.5
175.04010	0.1
175.07547	0.2
177.05374	0.2
184.05156	0.1
187.07562	1.8
194.42253	0.1
197.06050	0.1
199.07599	0.4
200.04677	0.5
201.09146	0.1
202.09818	0.2
205.19499	0.1
211.07474	0.2
212.08389	0.1
213.09061	0.3
215.07071	1.8
227.07079	0.3
229.08629	0.2
239.07031	0.6
241.08572	0.7
243.06534	0.6
257.08081	0.6
258.08835	0.7
259.09671	0.2
269.08072	0.9
271.06055	0.2
273.11258	0.6
285.07547	0.4
286.08374	5.4
287.09140	0.2
289.10745	0.1
301.10706	4.2
301.21747	0.2
301.25204	0.1
319.11801	7.3
319.22702	0.4
319.26343	0.6
320.11716	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1176
Annotation	Pterolinus E
Peak:m/z	Relative Intensity
55.05505	0.4
67.05505	0.5
69.07074	0.5
69.94084	0.3
79.05487	0.8
81.03400	0.4
81.07049	1.1
82.80607	0.3
83.04973	1.0
85.02936	0.3
86.67366	0.3
91.05466	0.8
92.49661	0.3
93.07027	1.0
95.04987	0.6
95.08620	0.8
98.20718	0.8
99.04452	2.4
103.80666	0.3
105.07023	1.0
107.04926	0.5
107.08604	0.5
109.02872	0.4
109.06492	0.6
111.04408	0.8
117.06985	0.4
119.08555	1.2
121.06486	0.4
121.10178	0.8
123.04375	0.7
127.03918	3.2
133.06480	0.4
133.10144	0.8
135.11719	0.6
137.05957	0.6
139.07553	1.2
145.10078	0.4
147.04411	11.9
147.11656	0.7
148.05176	0.9
148.74609	0.3
149.05975	0.4
150.06670	0.3
151.07547	0.7
153.01772	0.4
153.05411	0.4
159.04408	0.6
159.11664	0.4
161.05911	0.5
162.03146	0.5
162.06711	0.5
163.07605	0.4
165.05397	0.5
167.07050	5.5
167.68021	0.3
173.05949	0.6
175.03938	1.6
176.04703	5.7
177.05283	0.3
178.06262	0.6
179.07042	0.6
191.07034	100.0
193.08577	1.3
199.07593	0.4
204.07739	0.7
217.08583	3.1
219.06535	0.4
231.06493	0.4
240.07916	0.4
241.08653	0.5
255.10194	1.0
259.09561	0.3
269.08084	0.9
273.11234	1.6
301.10672	9.0
301.21677	0.4
314.41547	0.4
319.11826	7.4
319.22696	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01868	1.0
55.05507	1.8
56.05016	0.6
56.96560	2.6
57.03428	1.1
59.79399	0.5
60.08159	1.7
61.02925	1.3
67.05505	0.8
68.99809	0.7
69.03445	3.7
70.06599	2.0
71.58096	1.0
72.08157	2.2
79.05480	0.9
80.05037	0.7
81.03410	2.3
81.07053	1.0
82.06595	1.7
83.04993	1.3
83.06890	0.6
84.04507	1.1
84.08143	1.8
85.02911	10.2
86.03244	0.8
86.09707	1.0
87.04450	1.2
87.78223	0.6
88.03985	0.6
91.05485	1.1
93.07048	0.8
95.04972	1.3
97.02904	5.0
97.06577	0.7
98.97571	4.4
99.04440	1.3
99.09233	1.3
103.00635	0.9
109.02849	2.1
110.97533	0.9
111.04475	3.2
115.03965	0.7
115.05495	0.6
116.98618	2.1
119.08483	0.7
120.08105	0.8
127.03971	3.3
128.07072	1.6
128.98605	1.3
136.07599	1.3
137.06012	1.5
138.05508	2.8
138.09138	1.3
139.05876	2.1
139.09445	0.7
140.04980	0.7
141.10233	4.2
142.02626	12.7
145.05009	1.4
156.06512	1.3
156.10207	3.2
157.04976	100.0
157.10616	4.3
158.99634	1.4
166.05035	0.9
166.08614	0.7
169.09801	0.9
170.06023	2.2
173.04822	1.0
173.07083	0.7
175.06287	0.8
187.08833	0.9
191.05945	0.8
198.09334	0.6
209.10901	0.8
210.49695	0.6
212.09364	0.8
217.07260	0.7
219.01834	2.1
227.11888	0.8
228.10228	0.7
231.07672	1.3
234.99011	1.3
237.02887	2.0
250.07425	0.7
255.11313	1.5
260.05524	1.8
270.10028	0.9
272.11642	0.8
273.03934	0.8
273.12265	2.2
275.14020	0.8
277.12918	4.8
283.10767	3.0
301.11938	6.6
302.12411	2.7
319.13467	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.5
55.01872	2.6
55.05502	2.1
57.03442	1.9
61.60888	1.3
62.67741	1.1
67.05503	2.4
68.99809	1.4
69.03439	19.8
69.07036	1.5
69.23440	5.7
69.23859	5.2
71.04996	14.4
79.20615	1.1
81.03428	82.1
81.07051	3.3
85.02911	3.6
87.00830	4.9
91.05488	2.0
93.07056	2.4
95.04980	1.7
95.08614	3.8
96.04684	1.0
97.02880	1.6
97.06548	1.9
99.04476	6.9
105.07038	2.9
107.08609	1.5
108.04452	1.3
109.02898	19.8
109.68436	1.1
110.06062	2.8
119.08552	1.5
121.10204	1.2
122.06049	5.3
127.03925	10.0
131.08549	1.3
133.10133	1.8
138.05415	1.2
142.07707	1.2
145.04965	1.9
150.05511	2.4
152.07083	1.9
158.09671	4.1
159.11691	1.7
160.07697	2.9
160.09969	2.6
161.05994	1.6
168.07991	1.2
170.09673	1.4
172.07632	2.4
173.10820	1.7
174.09216	1.5
174.11530	1.5
175.08760	2.7
175.12305	3.1
186.09146	13.4
187.08696	4.3
188.09474	3.7
196.07645	1.6
200.10779	2.5
201.10229	2.3
202.08589	1.3
202.09142	1.4
202.11050	9.7
203.11847	12.6
213.10284	3.8
214.08681	16.4
215.08162	8.5
216.08995	1.6
217.09787	2.2
228.10226	6.2
229.09792	4.1
230.10455	2.7
231.11308	8.2
241.09673	2.2
242.08150	2.1
247.10838	3.1
255.11322	5.2
256.09656	3.4
257.12662	1.4
259.10806	98.8
260.11102	1.7
273.12360	10.0
283.10843	4.0
301.11859	100.0
319.07129	5.0
319.09872	0.9
319.12921	23.2
319.22812	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	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47557	1.8
53.03936	2.8
55.01874	2.7
56.96564	4.3
57.03430	6.2
61.02928	13.6
69.03444	18.9
69.98019	9.2
71.04993	4.3
72.08160	3.8
73.02921	2.4
81.03419	8.3
81.96962	2.4
85.02909	100.0
86.09698	6.8
88.39029	2.1
91.03962	9.0
91.05494	3.3
93.07043	2.5
97.02901	27.1
99.04477	5.1
103.05444	3.4
109.02888	10.4
115.64502	2.3
121.06516	63.2
127.03920	21.2
138.05515	7.5
138.09149	2.2
142.06839	2.2
145.04968	40.4
145.06216	2.8
145.06445	1.9
146.70628	2.7
156.06563	6.7
156.10214	9.7
157.04988	3.5
163.06018	7.7
180.08699	11.0
185.07263	2.6
187.07544	7.8
205.08650	7.4
229.08714	3.8
247.09636	2.8
265.10620	2.4
318.18939	2.8
319.13696	8.5
340.56741	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	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01883	0.6
55.05510	0.9
55.11758	0.4
55.39605	0.4
55.76589	0.3
57.03447	0.8
57.72989	0.4
61.02925	1.2
67.05496	0.5
68.49040	0.4
69.03438	4.0
69.07061	1.9
70.06586	0.7
71.04980	0.5
72.08151	0.5
73.02898	0.7
80.04981	0.4
81.03402	1.6
81.07028	0.7
82.06574	1.3
83.08614	0.4
85.02907	6.7
86.09713	1.0
87.04455	1.1
88.40079	0.4
91.03892	0.4
91.05462	0.6
93.07059	1.1
95.04946	0.4
95.07344	0.4
95.08623	1.3
96.04508	2.9
96.08149	2.2
97.02903	2.9
97.05264	2.6
97.06552	0.9
98.21486	1.2
98.97592	0.5
99.04485	0.4
99.49399	0.4
100.07596	0.7
108.08133	0.6
109.02885	1.0
109.06530	0.7
110.06046	6.2
110.09686	3.9
111.08080	0.6
120.08123	0.4
121.06538	0.8
124.07582	0.6
124.23961	0.5
125.08358	0.6
126.09164	9.4
127.03909	1.5
134.66223	0.5
138.05537	0.7
138.09146	22.9
139.07567	1.3
140.10738	0.5
145.04973	0.6
152.10713	0.6
156.06615	1.6
156.10207	100.0
157.10533	0.7
165.07008	0.8
168.10336	0.7
173.61208	0.4
180.10199	0.8
183.08090	1.3
198.11240	0.9
230.08687	0.4
237.05479	0.5
255.06503	1.9
272.08951	0.7
277.12991	0.6
301.11758	0.5
318.06894	0.5
318.10358	0.6
318.15527	1.5
318.29822	0.5
333.73444	0.4
342.64554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1386
Annotation	2-(3,5-Dimethoxyphenyl)-3,4-dihydro-7-methoxy-2H-1-benzopyran-5-ol
Peak:m/z	Relative Intensity
53.03934	0.7
55.05507	0.7
56.05048	0.5
60.04528	9.0
61.04856	1.2
65.03922	1.2
67.05503	1.5
69.07055	0.9
69.55852	2.8
71.14104	0.5
71.75204	0.5
74.71726	0.5
75.25655	0.5
79.05496	2.6
81.07061	1.1
91.05481	6.7
93.07037	0.7
95.04955	1.5
95.08596	1.3
98.21440	1.1
98.97548	0.7
105.07069	0.9
106.04159	0.8
107.04964	1.4
107.08617	0.8
109.02743	0.5
109.06505	0.7
109.10160	1.8
110.03646	2.2
115.05458	0.7
117.06994	0.9
119.04980	1.3
119.08580	1.7
120.02101	0.7
121.06507	17.7
125.05989	1.1
134.07382	0.8
138.03123	25.2
139.07541	3.1
145.06554	0.6
146.07278	1.3
147.04375	1.2
147.08032	1.4
149.07095	0.9
149.09625	0.7
151.07549	53.1
152.07846	0.7
153.05473	100.0
162.06813	0.7
165.09123	1.9
177.05495	0.7
177.09106	7.9
179.07083	0.9
179.56398	0.5
244.64795	0.5
277.57761	0.5
281.26657	1.2
299.27704	1.1
317.06787	1.9
317.17377	0.6
317.21036	2.1
317.28799	4.1
317.32199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
55.01854	3.6
55.05508	22.0
56.96548	4.1
57.07059	11.2
59.04994	5.3
60.04526	79.5
61.04215	2.9
61.04852	7.8
65.03912	3.6
67.05170	4.9
67.05503	61.9
68.05807	3.3
68.88619	2.2
69.03418	7.5
69.07047	10.3
69.48843	12.1
69.49250	5.7
70.06576	4.8
71.04978	3.4
72.04495	2.6
76.63719	2.1
79.05496	18.2
81.07054	43.7
83.04961	5.2
83.08634	6.1
85.06527	5.4
87.04456	2.6
88.07635	4.8
88.08160	2.0
91.05472	22.6
91.59396	2.4
93.07046	25.7
95.04964	33.6
95.08604	34.5
96.08934	3.1
96.09560	2.5
97.06523	11.9
98.20679	2.2
98.97564	3.8
102.09200	3.8
105.07046	22.9
107.04941	3.0
107.07870	2.8
107.08593	49.3
108.78947	2.2
109.06508	20.0
109.10155	99.2
111.08090	3.2
117.06989	9.5
119.08582	61.5
121.06493	11.0
121.10152	11.5
123.08080	32.9
123.11661	3.8
125.05921	2.3
127.03856	3.6
131.08553	10.3
133.06554	5.3
133.10120	10.7
135.08070	13.7
135.11646	7.0
137.05975	5.1
137.09616	82.8
139.07486	3.2
142.07819	3.0
143.08519	6.4
145.10150	11.4
145.73204	2.4
147.08028	4.6
147.11620	6.1
149.09613	7.8
151.03932	6.3
151.07544	67.1
153.01825	4.1
153.05428	13.1
155.08501	3.9
156.01834	3.0
157.10138	5.9
159.08023	6.0
159.11653	6.9
161.09607	9.9
161.13217	3.4
163.11174	6.0
165.09140	8.6
167.07062	4.8
171.11674	6.7
173.09654	3.7
173.13235	6.0
177.09102	4.3
181.08554	5.8
181.10068	3.8
181.12267	3.9
185.13242	4.4
187.11147	3.4
189.12744	33.0
195.11862	2.7
197.13266	3.4
199.11099	3.1
199.14700	3.1
203.14233	3.4
207.13782	31.9
215.14301	5.2
221.15405	5.8
233.15413	3.8
237.14825	7.5
241.15936	3.8
243.13785	10.3
256.26309	10.3
257.07401	2.7
259.17148	3.5
261.14865	4.6
281.26718	11.5
299.20154	17.2
299.27652	9.6
302.04138	3.3
317.06226	16.3
317.09399	7.5
317.17404	6.0
317.21072	100.0
317.28799	28.8
318.30020	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1022
Annotation	(-)-Mucroquinone
Peak:m/z	Relative Intensity
53.03951	0.4
65.03926	0.8
70.70341	0.6
71.68924	0.2
79.05492	1.6
82.04193	0.8
93.03413	0.5
95.04986	0.6
107.04964	0.8
110.03675	1.9
111.04453	0.2
125.06005	1.6
129.29533	0.2
138.03127	17.1
141.06982	0.5
153.05473	100.0
154.05846	0.6
162.03134	0.9
168.05728	0.3
169.06462	0.4
177.05467	1.6
193.04922	0.4
197.05991	0.7
201.74399	0.2
213.05580	0.4
225.05508	0.9
232.66747	0.2
239.06960	0.4
253.04961	0.7
257.08157	0.5
259.61377	0.2
285.07718	1.5
302.07559	0.4
317.06857	0.3
317.10205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.102
Annotation	7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone
Peak:m/z	Relative Intensity
53.03948	1.0
55.01874	1.0
56.96589	0.6
59.17948	0.6
65.03160	0.6
65.03942	7.1
65.74882	0.6
67.05510	3.4
68.99796	1.1
69.03421	1.5
69.07059	0.8
70.21670	2.6
79.05489	1.3
81.03400	2.4
81.03853	0.5
81.07047	2.2
83.04996	1.0
91.05494	4.3
93.03410	11.3
93.07060	1.6
95.04980	5.5
95.08612	1.4
97.02885	0.8
98.97615	0.9
103.05484	1.3
105.04520	0.7
105.07034	2.0
107.04985	1.2
107.08604	1.3
109.02899	6.0
109.06493	1.0
109.10157	0.7
110.03677	1.7
111.04456	9.2
118.04208	0.9
119.04955	3.3
119.08604	1.4
119.83418	0.6
121.02871	0.8
121.06515	2.6
121.10172	1.1
122.03646	1.6
123.04440	21.6
123.08066	0.8
124.05240	0.6
125.05157	1.0
125.06007	13.1
126.03146	10.1
127.03957	1.3
131.08577	0.8
133.02859	20.9
133.06483	3.4
133.10098	1.4
135.04411	1.2
135.08040	0.9
137.02379	1.7
137.05988	15.7
139.03943	1.3
141.05467	6.4
144.92921	0.6
145.10129	0.8
146.03647	0.8
147.11697	0.9
149.05994	2.6
150.03120	0.8
151.03897	5.0
151.07535	1.9
152.01074	3.5
153.01859	1.7
153.05479	17.1
153.06752	1.2
154.02614	8.0
155.03404	11.3
157.10139	0.7
161.06000	38.5
162.06747	2.2
163.03850	1.3
163.07520	2.9
165.05539	5.0
167.03413	12.0
169.04977	100.0
170.05316	0.8
177.05481	6.7
179.07089	0.8
185.05978	0.8
187.07516	0.8
189.18303	0.6
193.04985	16.2
197.06007	1.5
209.04521	0.9
211.07529	0.8
215.07130	1.4
225.05464	1.2
229.08675	1.4
232.57495	0.6
257.08035	1.4
267.06430	0.8
271.09787	0.6
274.04733	1.2
285.07578	2.9
289.10654	3.3
299.09207	2.3
302.04147	4.6
302.07211	0.8
317.06577	9.4
317.10217	27.8
317.21207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0659
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.05513	0.2
65.03925	0.8
67.05500	0.5
68.99789	0.4
69.03428	0.4
69.07071	0.4
69.28035	1.5
71.04967	0.3
79.05479	0.3
81.07063	0.5
83.04995	0.3
85.06554	0.3
91.05467	0.6
92.02625	2.5
93.03416	2.5
93.07054	0.5
95.04985	0.4
95.08613	0.6
97.06523	0.4
98.97565	0.3
105.07018	0.6
107.04935	0.3
107.08585	0.5
109.02851	0.4
109.10130	0.4
111.00803	0.4
113.92536	0.2
114.37564	0.2
117.07032	0.3
119.08562	0.4
121.02867	1.8
121.10137	0.4
122.03606	0.4
123.04447	0.2
126.03162	1.1
131.04916	0.2
135.04439	0.3
137.02327	0.6
137.05986	0.6
138.03111	0.8
139.03922	1.5
150.03142	0.4
151.03923	1.6
153.01839	16.2
153.05455	5.7
153.06732	0.4
155.04935	0.3
158.11777	0.2
161.06030	0.3
163.03902	0.6
165.01782	1.0
166.02541	0.3
173.05992	0.4
177.05508	0.7
179.03522	0.3
180.30318	0.2
183.02879	0.2
183.04420	0.4
187.04015	0.5
200.04677	0.8
201.05467	2.3
203.03416	1.6
217.04955	3.3
218.02333	0.2
218.05737	1.5
219.02905	0.6
221.52858	0.2
223.20596	0.2
227.06779	0.2
228.04164	3.3
229.04977	7.6
231.02902	1.2
232.41066	0.2
233.04611	0.3
240.13043	0.2
245.04489	3.6
246.05289	2.5
256.03745	0.4
257.04471	4.1
260.03192	0.7
261.07605	0.7
271.05954	0.6
273.03970	3.3
274.04745	6.8
284.03217	0.7
285.00781	0.4
285.03946	8.2
288.06387	0.4
289.11743	0.3
299.02304	0.3
299.05585	1.6
299.08813	0.3
301.03223	0.3
302.04224	20.1
317.06577	100.0
318.07010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
65.03924	0.8
68.99782	0.8
69.44126	2.2
72.08152	0.7
79.18639	0.3
92.02635	2.8
93.03407	2.9
107.11795	0.3
111.00763	0.3
120.02048	0.4
121.02859	2.3
122.03623	0.4
124.01534	0.3
126.03124	1.1
128.89214	0.3
129.07043	0.3
133.02907	0.4
135.04395	0.3
137.02325	0.5
139.03882	1.5
145.06555	0.3
151.03886	1.0
153.01836	16.2
158.47067	0.3
161.06047	0.3
165.01823	1.3
166.02678	0.3
173.05959	0.6
177.05505	0.3
183.02887	0.5
190.06303	0.5
193.83592	0.3
200.04645	0.8
201.05486	1.5
203.03462	1.4
203.40404	0.3
217.05029	2.9
218.05736	0.9
219.02888	0.4
228.04201	3.9
229.04979	7.1
231.02922	1.0
232.03848	0.3
245.04492	3.1
246.05267	2.7
256.03757	0.5
257.04465	3.5
260.03259	0.7
261.07416	0.4
271.05942	0.3
273.03937	3.2
274.04718	6.5
274.07495	0.5
284.03137	0.6
285.03955	7.5
302.04224	20.4
317.06570	100.0
318.06860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Carajuflavone
Peak:m/z	Relative Intensity
53.03945	0.6
55.01889	0.3
55.05502	0.9
57.07090	0.3
65.03947	1.5
67.05499	1.4
67.19232	0.3
67.64532	0.3
68.99795	0.6
69.03434	0.7
69.07059	0.9
69.37231	0.3
70.06579	0.4
70.20349	0.8
70.20739	0.4
71.04989	0.5
77.85177	0.3
79.01829	0.3
79.05482	0.9
81.03405	0.6
81.07057	2.7
83.04979	0.4
83.08601	0.5
85.02895	0.5
85.06538	1.9
91.05478	1.3
92.02625	2.9
93.03419	3.0
93.07038	1.7
94.04184	0.5
95.04973	0.4
95.08614	2.5
97.02888	0.6
97.06511	0.5
99.08048	0.5
103.05459	0.4
105.03358	0.4
105.07018	1.3
107.01336	0.3
107.04942	0.5
107.08592	1.5
109.02861	1.4
109.06494	0.5
109.10170	1.6
109.85669	0.3
110.03625	0.4
111.04453	0.5
111.08092	0.4
112.07568	0.4
115.05496	0.6
117.07031	0.3
119.08604	1.0
120.08084	0.4
121.02860	2.4
121.06499	0.5
121.10146	0.7
123.11745	0.9
125.05988	0.7
126.03169	1.5
129.06937	0.6
131.04929	0.3
131.08574	0.3
133.02841	1.2
133.10114	0.8
134.03603	0.6
135.04454	0.9
135.08051	0.6
135.11707	0.4
136.07515	0.4
137.02332	0.9
137.05969	1.6
138.03123	2.1
139.03900	1.8
139.05411	1.0
143.04924	0.4
143.08553	0.4
145.06451	0.6
149.13228	0.6
150.03195	0.4
151.03870	1.4
151.04933	0.3
152.01146	0.4
153.01837	16.9
153.05467	10.8
153.06731	0.5
154.08667	0.4
155.04811	0.5
163.03912	1.1
163.14836	0.5
165.01855	1.3
165.05496	0.5
166.02571	0.4
167.03421	0.6
167.04866	0.5
169.06407	0.4
171.04411	0.6
171.07974	0.5
171.11711	0.3
173.06055	0.8
177.05484	0.9
179.03416	0.4
183.02913	0.6
183.04376	0.6
184.05144	0.8
190.06088	0.4
193.05008	0.9
195.04445	0.4
199.07533	0.4
200.04688	0.9
201.05418	2.1
203.03488	1.6
211.03944	0.4
212.04617	0.7
217.05006	2.6
218.05727	1.5
223.03909	0.8
227.03500	0.6
228.04135	4.5
229.04948	7.5
230.05725	0.3
231.02843	0.9
232.78810	0.3
239.03435	0.8
241.04944	0.5
243.06439	0.5
245.04460	3.3
245.22586	0.4
246.05251	3.5
255.06517	0.7
256.03613	0.9
257.04440	4.9
257.07199	0.5
258.05319	0.5
260.03220	0.8
261.07596	0.8
267.02936	1.1
271.05975	0.7
271.10681	0.5
273.03964	4.2
273.07556	5.9
274.04727	8.2
284.03168	0.9
285.03931	7.7
289.06927	2.1
299.05466	1.8
302.04211	21.1
317.06558	100.0
317.21051	0.9
318.06808	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
58.96111	0.3
65.03941	1.7
67.05498	0.4
68.99786	0.5
69.03413	0.5
71.57649	0.4
79.05490	0.5
80.05007	0.3
81.03439	0.4
81.07053	0.3
82.06561	0.3
86.09711	2.0
91.05488	0.8
92.02628	2.8
92.05029	0.6
93.03411	2.9
93.05796	0.3
93.07031	0.5
94.04192	0.3
94.06577	1.7
95.04961	0.4
95.07343	0.6
96.08110	1.3
97.06551	0.5
105.03426	0.3
107.08550	0.3
108.04475	0.3
108.08138	1.7
109.02889	0.5
110.09677	1.9
111.00800	0.4
117.07073	0.3
118.06557	0.6
120.04491	1.7
120.08103	1.7
121.02879	2.5
121.06458	0.3
122.06037	0.8
124.16895	0.2
126.03139	1.1
126.09204	0.2
127.03969	0.4
136.07584	6.4
137.02348	0.7
138.03110	0.6
138.05495	0.6
138.09140	2.3
139.03900	1.2
145.06479	0.2
146.06013	4.5
148.07582	0.9
151.03906	1.5
153.01833	16.8
153.05458	3.8
154.08656	1.5
155.04895	0.3
156.37433	0.2
157.13365	0.9
158.13710	0.4
159.09184	0.3
162.05557	0.4
163.05904	0.5
164.03444	0.6
164.07080	6.1
165.01843	1.2
165.07506	0.3
166.02681	0.3
166.08658	4.7
173.05986	0.3
176.04982	0.2
177.02019	0.2
177.05508	0.6
179.03448	0.3
180.02927	0.3
183.02849	0.3
187.03819	0.2
189.05450	0.4
200.04741	1.0
201.05498	1.6
201.13776	0.4
203.03461	1.4
208.75687	0.2
213.10397	0.3
217.04996	3.0
218.05809	1.3
218.11716	0.3
219.02939	0.6
228.04169	3.6
229.04980	6.8
231.02884	1.2
239.03419	0.3
243.06546	0.3
245.04475	3.9
246.05234	3.1
253.09288	0.3
255.11211	0.4
256.03690	0.4
257.04456	4.7
260.03180	1.0
261.07648	0.6
271.06091	0.4
271.10522	1.1
271.14334	0.8
273.03949	3.4
274.04712	7.1
284.03320	1.3
285.03967	7.8
287.01971	0.3
287.10245	0.9
288.06299	0.3
289.11658	0.4
299.10294	2.3
299.13898	3.3
301.03470	0.4
302.04227	22.5
317.06573	100.0
317.14630	2.2
318.06998	1.3
339.28796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2848
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03945	0.4
55.01877	0.3
55.05515	4.5
55.49464	0.4
56.05038	3.9
57.03440	0.4
57.07080	1.5
58.02960	0.6
60.04528	100.0
61.50053	0.3
65.03951	0.6
67.05511	7.7
69.03438	0.3
69.07068	5.6
69.66534	2.2
70.06585	1.0
71.05018	0.3
71.08638	0.6
72.04526	2.2
73.02924	0.6
74.06081	2.5
79.05494	4.2
80.05029	1.0
81.03451	0.4
81.07059	7.3
82.06591	1.2
83.04976	0.7
83.08630	4.3
84.04525	0.5
86.06078	1.0
87.04472	0.6
90.05576	1.1
91.05479	2.4
93.07049	3.1
94.06585	0.8
95.08611	7.1
96.08120	0.7
97.06558	0.5
97.10190	1.5
98.06039	0.7
100.07627	0.4
102.05512	0.4
105.07059	1.4
107.08590	1.8
108.08145	0.3
109.10175	2.5
111.08157	0.4
111.11715	0.7
112.07611	1.0
116.07094	0.4
119.08583	1.3
121.10170	1.5
122.09683	0.4
123.11739	0.7
133.10094	0.8
135.11674	1.0
137.13269	0.5
143.39339	0.3
147.11758	0.8
149.13261	0.4
198.18648	0.4
245.22586	0.5
250.25356	1.5
251.23842	0.4
262.25259	1.5
268.26428	0.7
280.26364	12.4
298.27438	12.3
316.08887	1.2
316.28482	33.8
317.28729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2233
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
53.03949	0.5
55.05511	0.9
56.05033	1.3
56.96555	0.9
58.10482	0.5
62.67604	0.5
67.05512	0.7
69.03434	0.5
69.07082	6.8
70.06615	1.1
71.37018	0.6
72.08159	1.0
77.47109	0.5
79.05489	1.0
81.03429	1.3
81.07077	0.8
83.04996	0.7
84.04534	0.9
84.08152	1.1
85.02907	1.2
86.09712	100.0
87.10068	0.5
91.05509	0.7
93.07074	0.5
95.04977	0.5
95.08597	0.7
97.06548	1.4
97.07655	1.4
97.36257	0.6
98.97592	1.4
102.05535	1.7
109.02912	1.7
112.07606	2.8
114.09174	0.6
117.75302	0.4
120.08137	0.7
130.06555	1.5
130.08659	1.2
132.10216	4.9
138.03105	0.6
147.04507	0.5
152.10716	0.6
153.01881	0.7
153.05499	3.1
154.08701	0.6
157.07639	1.7
157.13376	53.2
185.12866	20.5
185.14578	0.7
186.24144	0.6
187.48317	0.5
197.06157	0.6
203.08186	1.0
203.14014	3.2
245.18614	1.0
254.15154	1.1
270.08389	0.9
285.07608	0.6
298.08038	1.7
299.13931	0.9
316.05594	1.1
316.09155	3.7
316.13791	2.0
316.18610	5.2
317.06631	2.2
317.11011	1.0
324.99954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
55.05510	5.0
56.05039	4.2
57.03437	1.1
57.07075	1.8
58.02980	0.3
60.04527	100.0
65.03931	0.3
67.05507	9.1
67.05874	0.5
68.05034	0.6
69.07070	4.3
70.06584	0.8
70.27943	1.1
71.08628	0.7
72.04514	2.1
73.02925	0.4
74.06087	2.2
74.40978	0.3
75.85030	0.3
76.01682	0.2
79.05489	3.8
80.05029	0.6
81.07058	6.9
81.07518	0.5
82.06577	1.5
83.04965	0.4
83.08622	2.7
84.04556	0.4
84.08153	0.4
86.06067	0.8
89.59560	0.3
90.05555	1.3
91.05485	2.6
92.19635	0.3
93.07046	3.2
94.06589	0.8
95.05020	0.4
95.07365	0.4
95.08611	7.1
96.08119	0.6
96.93118	0.3
97.10185	1.8
98.34252	0.3
100.07629	0.4
102.05553	0.5
105.07035	1.3
107.08617	1.5
108.08172	0.3
109.10159	3.0
111.08099	0.6
111.11720	0.7
112.07606	0.9
114.09168	0.3
116.07100	0.3
119.08598	1.2
121.10162	1.4
122.09723	0.2
123.08080	0.3
123.11730	0.7
133.10120	1.0
135.11705	1.0
137.13280	0.5
147.11674	0.3
151.14783	0.3
175.96133	0.2
219.20938	0.3
234.55443	0.3
236.23843	0.4
239.23259	0.3
242.24950	0.4
245.22517	0.3
250.25343	1.2
251.23653	0.3
262.25339	1.5
263.23703	0.3
268.26321	0.5
280.26376	11.9
281.26605	0.3
298.27414	13.2
316.08987	1.1
316.28464	33.9
317.28809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
56.05037	11.9
56.96549	0.3
57.79086	0.3
58.06579	1.1
67.05496	0.4
68.05034	3.3
69.03410	0.5
69.07076	1.8
70.06604	2.0
70.37734	0.6
70.38109	0.7
71.04985	0.8
73.04041	1.9
74.06085	4.3
83.06087	0.4
84.04503	2.1
84.07693	0.4
84.08147	3.9
85.02919	0.4
85.06540	1.0
86.06062	1.2
91.05489	0.5
94.06568	1.1
95.04950	0.9
96.08132	0.6
97.07658	24.3
98.06081	0.4
98.97587	0.7
99.05576	0.4
100.08752	0.4
101.07143	4.3
102.05514	0.7
112.07610	32.2
113.05987	1.4
123.09196	1.4
124.07615	0.6
125.07096	2.1
130.08641	12.0
137.05945	1.2
140.07066	3.6
141.10236	5.6
142.08743	0.6
142.09752	1.8
142.10780	0.4
143.08165	6.3
150.09137	0.6
158.08148	3.8
158.11652	0.4
161.86110	0.3
165.20609	0.3
167.08064	0.3
169.09727	1.4
178.04938	0.3
184.09715	0.3
186.12506	0.4
187.10786	7.9
190.85213	0.4
213.12398	1.0
216.03673	0.3
231.13399	0.4
236.13910	1.6
254.15018	12.9
272.16074	11.1
274.09500	0.6
280.16534	1.1
298.17734	4.1
316.18677	100.0
317.19037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.3
54.63890	0.3
55.05517	7.4
56.05045	0.5
56.96566	0.2
57.03425	0.3
57.05819	0.8
65.03952	0.6
67.11204	0.3
68.99810	0.4
69.47694	1.3
69.48125	1.0
70.06588	0.6
71.05014	0.7
72.08161	100.0
73.08500	0.3
79.05487	0.3
81.03464	0.3
83.05009	0.4
85.02920	0.9
86.09715	0.7
91.05455	0.3
92.02625	2.0
93.03412	1.3
93.07027	0.4
94.04214	0.4
97.02884	0.5
98.97606	0.5
100.07611	0.4
105.07094	0.3
112.07622	0.9
118.08692	1.5
121.02880	1.1
126.03140	0.6
133.02852	0.4
137.02362	0.7
139.03912	0.9
143.11841	0.8
145.03032	0.3
145.06596	0.4
146.11769	0.6
150.13522	0.3
151.03882	0.7
152.01083	0.4
153.01845	9.2
153.05551	0.5
156.05238	0.3
161.05887	0.4
165.01807	0.6
171.14937	31.9
189.05530	0.9
190.05804	1.4
199.14429	17.1
200.04764	0.5
200.12881	0.5
201.05515	1.1
203.03459	0.9
208.06885	1.1
213.05107	0.5
217.04944	1.4
217.15501	8.5
218.05563	1.1
228.04172	1.5
229.04982	4.1
240.03918	0.4
241.04482	0.5
245.04544	1.8
246.05220	1.7
254.17532	2.6
256.03796	0.4
256.06787	0.7
257.04514	2.3
258.04642	0.4
268.03149	0.4
269.04086	0.5
271.06003	0.3
273.03955	1.6
274.04800	3.4
284.03290	0.4
284.06366	0.4
285.03915	3.9
286.04474	0.5
287.05609	0.7
288.05994	0.4
298.20078	1.2
301.06622	5.2
302.04227	10.1
303.05090	0.4
316.05844	0.6
316.08981	13.9
316.12973	0.6
316.18665	1.1
317.06577	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
55.05510	2.1
56.05043	1.0
61.27073	0.5
63.56538	0.5
67.05508	0.6
68.05025	0.5
69.07055	0.6
69.32155	2.8
69.32570	1.2
69.32768	0.5
70.06592	1.2
72.08146	0.7
73.46416	0.5
79.05498	1.4
81.03416	0.8
81.07058	2.3
84.08146	1.0
85.02911	0.9
86.06038	0.6
86.09708	1.8
91.05491	0.9
93.07047	1.3
97.05253	1.3
97.07656	1.8
98.06065	0.7
102.05507	0.6
108.08116	0.9
109.02892	0.6
109.06500	1.4
110.06035	1.4
112.07609	3.0
124.07600	2.7
125.08313	0.6
126.09136	0.9
130.08633	0.7
137.06030	0.7
138.09132	0.8
139.06313	1.1
142.05099	0.5
143.08235	0.6
149.09654	1.1
150.64635	0.6
154.08643	100.0
154.69919	0.5
159.98903	0.5
166.08630	0.7
177.09102	0.9
179.08604	0.5
187.10883	0.6
195.10161	1.5
201.09488	0.6
201.38173	0.6
207.08081	1.6
235.07561	2.1
253.08586	2.7
268.91339	0.5
270.11462	1.6
299.09467	0.8
316.08899	1.1
316.12222	2.8
316.18597	4.3
317.06625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2323
Annotation	Cardol triene
Peak:m/z	Relative Intensity
53.03945	1.1
55.01873	1.2
55.05514	6.2
55.15085	0.9
57.07077	4.3
59.04993	1.4
59.81881	0.8
60.26223	0.9
67.05505	9.0
68.02625	1.2
69.07072	36.6
69.64594	0.7
69.64999	6.1
71.08632	1.5
79.01824	1.1
79.05483	5.3
81.03400	1.3
81.07066	20.0
83.04977	2.8
83.08650	4.2
85.02910	5.3
85.06566	1.0
91.05481	7.5
93.07053	8.3
95.04975	1.7
95.08608	14.1
97.10168	2.3
104.46961	1.0
105.07039	15.3
105.85122	0.8
107.04956	2.1
107.08619	5.2
109.06502	3.2
109.10159	7.8
111.04449	51.2
111.11665	1.0
113.06002	3.3
115.05490	2.2
117.07033	7.3
119.08577	14.5
121.06512	3.3
121.10133	6.7
123.08095	1.5
123.11745	4.4
125.05984	5.1
128.06247	2.8
129.06964	3.0
131.04924	1.6
131.08575	7.2
133.10143	4.8
135.04407	1.1
135.08069	2.6
135.11658	2.8
137.05998	2.9
137.09656	1.6
137.13243	2.2
138.03059	1.6
139.07574	1.0
143.08562	3.3
145.06490	2.7
145.10130	5.2
147.08060	1.9
147.11699	5.3
149.05952	0.8
149.09598	2.1
151.03934	4.8
153.05534	4.5
155.08627	1.5
157.10123	2.5
159.08061	2.6
159.11682	2.9
161.05971	1.3
161.09648	2.1
161.13287	1.9
163.07632	1.7
163.11169	1.5
165.09102	3.6
171.08060	1.3
171.11705	2.4
173.09633	2.2
173.13269	1.5
175.07697	0.9
175.11278	1.2
177.05504	1.4
177.09094	10.3
179.10681	9.6
183.11629	0.9
185.09589	0.9
185.13295	1.1
187.11157	1.1
187.14850	1.1
189.09082	1.5
191.10683	8.4
191.17934	1.0
193.12254	2.9
199.14865	1.5
201.12798	1.1
203.10692	4.8
203.17964	5.1
205.12250	9.5
207.13728	1.1
212.04733	1.2
213.12758	1.2
215.14326	1.0
217.12192	5.4
219.13817	7.4
227.07117	1.3
227.14401	1.5
231.13823	7.8
233.15421	10.3
240.04135	1.4
245.15396	8.7
247.16960	22.3
255.06523	2.0
255.21107	1.4
258.65054	0.8
259.09729	1.5
259.16925	7.7
268.03726	1.1
269.04272	1.0
273.18643	1.3
283.05960	1.6
283.20544	1.6
297.22244	2.3
299.08267	1.6
300.06171	7.6
315.08530	24.8
315.11505	3.1
315.23215	100.0
316.23285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.232
Annotation	Cannabichromene
Peak:m/z	Relative Intensity
55.01867	3.3
55.05519	8.9
57.07089	4.0
59.04977	2.6
67.05515	13.7
69.06725	3.6
69.07070	46.0
71.04981	3.6
71.58038	3.1
73.25060	1.7
76.23718	1.7
79.05499	6.3
81.07066	24.6
83.04985	2.7
83.08619	6.5
85.02918	2.7
85.06532	3.8
91.05493	16.4
91.89903	1.6
93.07054	14.2
95.04967	4.5
95.08604	16.2
97.06555	2.6
97.10129	1.7
105.07027	22.7
106.07352	1.8
107.08594	11.5
109.02870	2.0
109.06519	6.1
109.10169	18.8
111.04437	12.7
111.11745	4.0
115.05442	8.9
117.07024	52.2
117.92890	2.6
119.08601	18.1
121.06516	5.3
121.10141	7.1
123.11761	3.0
124.05202	1.9
125.05972	2.6
127.11127	2.4
128.06226	3.7
129.07013	8.2
131.08574	27.1
133.06528	2.7
133.10158	9.6
135.08095	3.1
135.11694	5.8
137.05980	3.2
142.07710	4.4
143.08568	7.0
145.06474	9.1
145.10114	8.9
147.08047	4.5
147.11688	13.8
148.05206	2.4
149.09601	2.9
149.13300	4.3
151.03909	14.1
153.05464	5.0
155.08676	2.7
157.10124	11.0
159.08067	4.2
159.11710	7.6
161.09634	6.8
161.13295	2.4
163.07472	2.8
163.11200	5.9
167.03412	5.1
171.11746	2.2
173.09586	2.6
173.13263	2.5
175.11104	2.7
175.14841	4.5
177.05579	8.6
177.09142	34.5
179.10721	4.7
187.14877	3.6
189.09181	4.6
189.12737	23.4
191.07069	5.2
191.10689	24.7
193.12247	2.9
197.06059	2.3
199.14836	3.0
201.16525	2.9
203.10704	5.7
203.18048	10.9
204.11575	3.4
205.12273	6.2
212.04681	3.4
227.07118	3.4
240.04147	2.5
247.17004	5.1
255.06570	5.4
255.17342	2.8
259.09814	2.6
259.17035	6.7
268.03961	2.5
283.05936	3.3
285.04022	2.4
287.23795	3.6
297.11206	2.6
297.22290	13.0
297.25302	3.6
299.08362	2.7
300.06274	30.4
315.08585	78.3
315.11301	5.0
315.23251	100.0
315.26935	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	315.134
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
53.03944	0.4
55.05507	0.5
65.03919	1.3
67.05495	1.1
68.99784	0.9
69.03442	0.4
69.07059	0.8
69.67343	1.4
71.04987	0.3
77.03923	0.4
79.03786	0.2
79.05491	2.7
80.05024	0.6
81.03430	0.4
81.07048	1.1
82.06578	0.9
85.02918	0.6
85.06539	0.3
89.03931	1.2
91.05477	2.2
92.05006	2.7
93.05800	0.6
93.07041	3.2
94.06571	3.7
95.04966	0.9
95.07354	3.1
95.08614	0.7
96.08131	5.3
97.06529	0.8
98.97591	0.3
103.05471	1.0
105.07014	1.0
106.06554	1.7
107.04947	0.8
107.08591	1.0
108.01262	0.3
108.08120	10.7
109.02893	0.3
109.10165	0.5
110.06062	0.4
110.09683	8.1
111.04473	0.3
115.03942	0.3
116.04981	1.1
117.05738	0.5
117.07098	0.3
118.06544	0.9
119.07307	0.3
119.08608	0.5
120.04468	13.6
120.08107	8.4
121.06512	0.4
122.06005	0.3
122.09622	0.2
123.00778	0.3
123.06807	0.5
123.11705	0.2
124.07608	0.5
125.09615	0.3
126.09159	1.4
128.06206	0.2
131.08617	0.3
134.03622	0.4
134.06021	4.2
135.04416	0.5
135.06796	0.3
135.11716	0.3
135.55270	0.2
136.07576	19.2
137.02304	0.9
137.06042	0.3
138.05513	2.3
138.09140	9.0
144.04437	1.2
145.10147	0.2
148.05154	0.4
148.07571	5.5
148.08694	0.4
151.03889	0.4
151.07492	0.4
152.07097	0.6
153.05479	0.3
154.08632	23.8
157.47012	0.2
159.11702	0.3
161.05966	0.5
162.05502	100.0
163.05919	0.6
166.02567	0.3
166.08646	22.1
167.03453	1.6
167.04709	0.3
168.05658	0.3
169.01352	0.4
171.08063	0.4
174.05522	0.4
177.06935	0.3
182.09566	0.4
184.03651	0.8
184.05197	0.6
184.09930	1.2
184.58192	0.2
187.15013	0.3
189.05424	0.4
195.07947	0.4
197.05946	0.4
197.10712	0.5
198.11534	0.6
199.12280	0.5
201.05518	0.4
203.07443	0.3
209.10822	0.5
211.07581	0.7
212.04654	1.5
212.09450	0.8
213.05435	0.5
223.03909	0.4
225.10156	0.3
227.06969	1.7
227.11839	3.7
229.04971	1.1
237.10332	0.4
240.04111	1.9
240.09032	0.3
243.06606	1.9
244.07246	1.0
245.12846	0.6
255.06496	2.7
255.11259	2.7
257.04419	0.6
259.09610	0.5
267.02966	0.4
268.03735	1.1
269.08282	0.4
269.12845	4.1
271.05960	0.6
272.06711	0.9
273.12326	2.6
282.05142	0.3
283.06030	2.5
283.09546	1.0
285.03891	0.7
287.09207	0.4
287.13855	0.8
297.07312	0.4
297.12338	8.4
299.05469	1.5
300.06284	8.9
315.08618	34.0
315.13290	9.5
316.09100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1228
Annotation	p-Hydroxyphenethyl trans-ferulate
Peak:m/z	Relative Intensity
51.08994	0.6
53.03940	0.8
56.96570	0.6
60.04518	0.5
65.03931	1.2
67.05525	0.7
71.53709	1.0
75.86554	0.4
78.04692	0.6
79.05495	2.3
81.07059	1.2
91.05486	8.8
93.07043	4.1
95.04967	1.8
95.08605	0.8
98.97598	1.4
103.05459	2.0
105.07020	3.5
107.04974	1.4
109.06540	3.2
109.10200	0.5
111.04437	0.9
119.06062	1.4
121.06512	48.2
122.06836	0.6
122.48306	0.5
124.05209	1.5
133.02812	0.8
133.06522	1.2
134.03630	0.5
135.04440	0.9
135.08078	4.2
137.05986	9.9
138.03120	2.3
139.07550	4.0
145.10161	0.5
148.05200	1.1
149.05989	100.0
150.06302	0.5
151.03914	11.6
151.07549	12.9
153.05476	8.4
161.06000	6.6
163.07558	8.0
164.08316	1.9
165.05492	0.6
165.09093	0.9
167.07054	9.3
168.02878	0.5
168.64041	0.5
169.06544	0.6
177.05475	30.9
191.06998	1.2
195.08168	0.8
196.08748	0.9
211.07553	1.0
212.08292	1.2
223.07565	0.7
227.07143	0.6
227.10667	3.5
235.24411	0.6
239.06813	0.6
240.04202	0.6
241.08582	0.9
243.06552	0.6
255.06529	1.0
255.10161	1.9
256.11111	0.7
257.04321	0.7
269.08148	1.2
269.11948	0.6
272.10474	0.7
281.08060	1.1
283.05997	0.6
285.03979	0.7
287.12823	8.1
297.11090	4.3
300.06204	5.9
315.08557	14.8
315.12292	28.8
336.80328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1229
Annotation	STEMOFURAN P
Peak:m/z	Relative Intensity
53.03939	2.9
55.01864	1.7
55.05509	2.6
56.96557	3.6
57.03415	0.9
57.07046	0.9
58.99026	0.7
60.04514	3.6
65.03947	1.9
67.05495	2.8
67.21703	0.7
68.99795	2.0
69.03419	2.0
69.07062	2.7
71.18323	1.7
77.03956	1.0
78.04681	0.8
79.05497	4.6
81.03396	0.9
81.07063	4.9
83.04980	1.4
83.08615	1.8
85.02903	1.5
85.06490	0.9
89.03898	0.9
89.40934	0.8
91.04960	1.3
91.05491	20.0
93.07058	5.1
95.04988	4.7
95.08606	3.5
97.02958	0.9
97.06514	1.2
98.97614	4.5
103.05450	2.5
105.04537	1.5
105.07043	4.8
107.04942	2.3
107.08597	2.6
109.02856	1.0
109.06494	2.3
109.10149	2.2
111.08112	0.8
115.05426	1.1
116.98617	2.8
117.03380	1.6
117.07012	1.1
119.04903	2.1
119.08587	2.7
121.06514	43.7
121.10188	2.1
123.04434	1.1
123.08057	1.3
128.06163	0.9
131.04941	0.9
131.08600	1.5
133.10104	2.1
135.04417	0.9
135.08035	4.1
136.05168	1.0
137.02327	1.6
137.06001	6.1
138.03090	3.1
138.06746	0.8
139.07553	7.6
141.07001	1.1
145.06490	1.6
145.10092	2.2
147.04370	0.9
147.11693	1.6
148.05179	3.6
149.02284	0.8
149.05969	2.0
149.07095	2.6
151.00288	1.1
151.03981	5.3
151.07553	100.0
152.01038	2.8
152.06194	1.9
152.07887	1.1
153.01863	1.7
153.05469	6.4
153.06894	1.3
158.99770	0.8
159.04333	0.8
159.11707	1.3
161.06058	3.8
162.03130	6.8
163.03943	1.7
163.07527	7.9
165.06961	1.9
166.07790	1.1
167.03455	3.9
167.04726	0.9
167.08559	1.2
169.06479	1.6
171.08151	1.1
171.11806	0.9
175.03909	1.7
175.07561	8.8
177.05521	11.9
177.06923	0.9
178.07825	0.9
181.06454	2.0
182.11374	2.6
183.04424	1.8
183.08009	1.9
184.05183	2.1
191.02379	1.2
191.12000	3.3
195.08086	3.5
195.11734	1.1
196.08879	1.8
197.06087	4.3
197.09573	0.9
198.06778	1.1
199.07516	2.9
200.12405	2.0
201.05513	1.1
208.05077	0.9
209.06006	0.8
211.07523	4.2
212.04633	2.3
212.08279	4.7
213.05388	1.0
213.09035	2.7
215.07040	0.7
215.10670	1.6
221.06090	0.8
222.06815	0.8
223.07520	3.2
224.08270	1.6
225.05424	2.4
225.08919	1.0
226.06146	1.8
227.07014	2.7
227.10571	4.4
229.04985	3.0
237.05379	1.6
237.09221	1.2
239.07071	1.8
240.04214	3.6
240.07831	3.7
241.05243	1.2
241.08521	2.6
243.06587	1.9
244.07147	1.0
251.06946	2.1
253.05046	1.3
253.08600	1.4
254.05652	1.2
255.06651	4.1
255.10118	8.3
257.04434	2.3
257.08118	1.8
259.09607	0.9
265.08557	1.1
267.02780	1.1
267.06470	1.7
268.03665	1.9
268.07291	2.0
269.08096	8.3
271.06033	1.5
272.06750	1.6
282.05405	1.1
283.06525	2.3
283.09665	58.5
284.10550	4.0
285.04349	1.6
285.07626	3.9
287.12851	3.9
297.07440	2.6
297.10724	1.0
297.18359	1.0
299.05350	1.9
300.06274	19.3
300.09891	5.4
315.04871	4.9
315.08560	56.8
315.12292	41.9
315.16049	2.0
315.19571	2.1
315.23187	1.5
315.27148	2.5
316.12189	1.1
335.87918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1224
Annotation	Ponganone VII
Peak:m/z	Relative Intensity
50.81912	0.2
51.02386	0.6
51.38197	0.2
53.03954	1.3
55.01877	0.8
64.64034	0.2
65.03946	0.7
66.04735	0.5
67.05508	0.6
68.99776	0.4
69.03452	0.3
69.35812	0.2
77.03958	0.5
79.05497	8.6
81.07062	2.8
83.01352	0.4
88.43066	0.3
89.06027	0.3
91.05485	2.4
93.03423	0.6
93.07043	1.2
94.04204	1.7
95.04971	1.8
98.20708	0.6
98.29913	0.2
103.05469	2.1
105.03400	0.9
105.04514	0.6
105.07054	1.2
107.04944	4.4
108.05771	0.4
109.05779	0.5
109.06523	10.5
110.03680	0.6
115.05442	0.4
118.04148	1.2
119.04939	0.7
121.02822	0.4
121.06512	7.0
122.03688	0.5
123.04420	1.5
124.05228	1.5
125.05983	2.0
130.04231	0.3
131.04951	2.1
132.05719	0.2
133.02780	0.4
133.06520	2.0
134.03600	0.5
135.04416	1.0
135.05536	1.4
135.11641	0.3
137.05981	100.0
138.03110	2.2
138.06290	0.9
139.07565	2.8
146.03636	3.9
147.04425	4.1
148.05186	2.4
149.05983	6.2
151.03914	4.6
151.07538	1.4
152.04738	1.7
152.05893	0.3
153.05476	10.3
155.05005	0.3
159.04369	0.4
159.05540	0.5
161.05986	43.4
162.03152	0.5
162.06653	0.9
163.07536	1.5
164.04643	0.4
165.05542	0.3
165.06924	0.4
167.03299	0.3
167.07056	5.8
175.04025	1.2
175.07567	0.3
176.04698	7.3
177.05476	19.9
179.07054	0.9
179.68254	0.2
180.05804	0.4
181.06488	0.6
183.08092	0.3
185.05920	0.4
187.07553	0.4
189.05460	0.3
191.07034	60.9
192.07816	53.6
193.08203	0.7
195.08064	0.8
197.05963	0.8
199.07495	0.3
207.06520	0.9
208.05199	0.8
209.06079	0.3
210.06656	0.3
211.07501	0.8
212.08333	0.8
213.05461	0.6
213.09071	0.4
215.06993	0.6
220.43906	0.2
223.07558	1.3
224.08304	0.7
225.05446	0.7
225.09103	0.5
226.06197	0.8
227.06992	0.7
229.08640	0.6
236.04611	0.4
238.06233	0.4
239.06967	0.6
240.07816	1.8
241.08647	1.4
244.06880	0.3
251.07089	1.3
252.07825	0.5
253.04752	0.4
253.08656	2.1
255.06392	0.3
255.07684	0.3
255.10168	3.1
256.11017	0.5
257.08057	0.8
265.08630	0.4
267.06485	0.9
267.10077	0.9
268.07202	1.0
269.08093	2.8
271.05939	0.3
272.06717	0.4
283.06348	0.5
283.09616	4.6
284.10434	3.8
285.07480	1.0
287.09372	0.3
287.12753	1.4
297.11218	1.6
300.06119	1.6
300.09885	1.3
315.08545	5.8
315.12210	39.5
316.12582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
51.19762	0.4
53.68777	0.4
55.01870	0.4
55.05513	0.7
56.96558	1.5
60.04510	0.4
62.50089	0.4
65.03947	0.4
65.99981	0.6
67.05499	1.0
70.25607	1.6
76.92865	0.7
79.05470	0.8
81.03403	0.6
81.07058	1.1
91.05470	1.8
93.07040	1.3
95.04942	0.8
95.08623	0.8
98.97559	1.2
105.03431	0.7
105.07030	1.8
105.51004	0.5
107.04990	0.7
107.08595	0.7
109.06470	0.5
109.10147	0.8
110.03626	0.5
111.04465	0.6
116.98598	0.6
119.04950	1.3
119.08582	1.1
121.02856	0.8
121.06535	2.5
123.04413	0.5
125.05943	0.4
128.06197	1.0
132.57788	0.4
135.04433	1.0
137.02345	11.0
137.05989	1.3
138.03131	2.8
139.96545	0.5
141.06995	0.8
145.10089	0.7
147.04378	0.6
148.05185	2.9
149.02380	0.9
149.05992	6.0
149.09421	0.5
151.03932	6.0
151.07574	1.2
153.05476	11.0
153.06781	0.8
156.05661	0.9
161.06015	1.0
162.03104	0.6
163.07555	0.6
164.04662	1.3
167.03448	1.6
167.07059	0.8
168.05753	2.5
169.06442	0.5
171.06778	0.7
171.08061	5.3
175.03912	1.1
175.35263	0.5
177.05490	2.5
181.06519	1.4
183.08018	0.6
184.05188	3.6
185.06056	0.7
187.03944	1.3
192.07855	0.7
194.10968	0.4
196.05214	4.7
197.06001	1.4
198.06741	0.4
199.07533	0.9
200.97719	0.4
201.05519	0.7
205.05002	0.5
209.06015	0.7
211.03963	2.3
211.07573	5.8
212.04700	12.5
213.05490	2.1
215.03429	1.8
224.04692	1.8
225.05484	1.4
226.06346	1.5
227.07042	19.9
229.05080	1.0
237.05363	0.7
239.03458	1.2
239.07062	2.8
240.04193	7.6
241.04958	1.3
243.06593	0.6
252.04233	0.8
253.05037	0.7
254.05772	2.7
255.06540	28.7
256.07117	0.7
257.04385	2.5
259.09555	1.6
265.05023	0.6
267.06482	1.4
268.03665	3.6
269.04532	1.3
271.06033	1.8
272.06799	0.7
281.04453	1.9
282.05295	1.9
283.06036	20.1
284.06638	1.2
285.03931	1.5
287.09268	1.5
287.12741	0.5
299.05475	2.4
300.06238	8.8
315.08630	100.0
316.08966	1.3
333.17392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	7,4'-Dihydroxy-3',5'-dimethoxyisoflavone
Peak:m/z	Relative Intensity
53.00301	0.5
55.01863	0.8
65.03938	1.2
67.05518	1.5
68.99788	0.8
69.07078	0.2
70.82051	0.5
74.65900	0.2
74.71148	0.2
79.05502	2.0
82.04195	0.8
92.02560	0.3
93.03407	2.4
95.04974	0.6
97.24759	0.2
107.04963	0.8
110.03687	1.9
111.04417	0.4
115.05462	0.2
119.31805	0.2
119.36661	0.2
120.02063	0.5
121.02897	1.9
123.04433	1.4
125.05981	0.8
133.02863	0.4
135.04390	0.4
136.79776	0.2
138.03128	23.3
150.03050	0.2
151.03917	42.0
152.04208	0.3
153.05473	100.0
154.05786	0.8
162.03128	0.4
163.03854	0.7
165.05450	0.3
168.05693	0.2
169.06503	0.3
171.08035	0.6
171.11707	0.2
175.03925	3.1
177.05505	0.8
178.06384	0.3
179.03448	0.7
197.05962	0.8
198.06776	0.3
199.07639	0.7
201.05423	0.3
212.04678	0.5
213.05513	3.1
214.05675	0.2
225.05460	0.6
227.07008	1.3
229.05049	0.5
243.06534	2.3
244.07286	0.5
253.04979	0.5
255.06546	3.8
257.04471	0.7
259.09689	4.4
271.05933	0.4
272.06738	0.3
283.05978	1.3
285.07535	0.5
286.08447	0.5
287.09146	2.2
300.06183	0.3
315.05182	0.2
315.08582	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	315.0864
Annotation	Nepetoidin B
Peak:m/z	Relative Intensity
51.02371	1.2
53.03939	1.2
55.01863	0.9
55.41247	0.7
61.31525	0.7
65.03939	0.9
67.05499	1.0
68.99778	1.7
70.60410	1.3
70.60789	1.4
75.76546	0.7
79.05504	4.5
81.07055	1.5
91.05480	6.0
92.86234	0.8
93.07044	1.7
95.04971	4.6
98.21407	1.0
98.97598	1.2
105.03382	0.9
107.04960	46.4
109.10155	1.3
119.04935	7.7
121.02831	1.0
121.06557	1.7
121.10164	1.1
123.04438	10.2
131.08649	0.9
133.02855	6.9
135.04424	100.0
136.04742	1.1
137.02336	14.7
137.05952	2.1
138.03120	1.5
141.06992	1.0
147.04416	19.8
147.43307	0.8
149.05994	2.6
151.03908	6.9
152.04698	10.5
153.05475	1.4
159.08087	0.9
161.02238	1.1
161.05943	0.9
162.93806	0.7
163.03917	58.1
164.04602	1.5
165.05498	14.2
165.06906	1.6
166.02637	0.8
169.06467	3.3
177.05479	15.3
178.06244	8.9
179.03380	1.5
181.04994	7.8
183.04340	1.0
186.06740	1.3
187.07657	0.9
190.02650	0.8
192.07607	1.0
194.99159	0.8
195.52580	0.8
197.05966	6.9
198.06847	1.1
201.08992	1.0
205.04950	2.3
211.07565	1.2
225.05481	3.7
227.07021	7.3
229.08612	15.3
239.07103	1.0
242.05559	1.2
243.06386	1.2
255.06525	7.7
257.05402	1.0
257.08072	7.5
265.42551	0.8
272.06689	2.1
281.04477	2.6
282.05170	0.9
283.05984	1.0
283.09604	1.1
285.07605	0.9
287.09180	30.6
297.07690	5.8
299.05539	1.3
300.06253	5.2
315.08597	60.1
315.15793	3.7
316.08762	0.9
329.25696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	Coeloginin
Peak:m/z	Relative Intensity
64.78050	0.2
68.99784	0.4
70.67500	0.8
88.59005	0.2
90.64374	0.2
91.02560	0.2
103.05449	0.2
107.04971	0.7
108.02052	0.3
118.04140	0.4
119.04885	0.3
120.05660	0.3
123.04424	1.4
124.01569	1.4
131.04961	0.4
132.05687	0.4
133.02818	0.5
135.04404	1.7
136.01625	0.3
137.02345	0.5
137.05960	0.7
145.02847	0.4
147.04407	0.4
148.05199	5.4
149.02368	1.9
150.03131	0.7
151.03920	0.7
152.01067	1.6
153.01834	3.8
163.03947	1.3
163.07460	0.3
165.01828	0.6
165.05470	0.3
170.02139	0.9
178.02640	2.7
179.03394	0.6
183.02904	2.7
184.05289	0.3
185.06030	0.3
191.07022	0.4
197.05986	0.9
198.06691	0.6
201.05536	0.3
203.07158	0.3
212.04770	0.4
213.05476	1.1
215.07021	0.8
225.05504	0.5
226.06259	2.1
227.06874	0.6
229.05040	1.7
230.05634	0.3
237.05457	0.3
240.04205	0.6
241.05008	0.5
242.05730	0.5
243.06564	1.5
253.04982	15.2
254.05750	5.9
255.06381	1.1
256.07349	0.5
257.04474	1.7
259.09607	1.2
268.03616	1.3
269.04443	1.2
270.05310	0.7
271.06024	10.7
272.06656	0.6
281.04471	7.5
281.06747	0.2
282.05243	20.4
283.06036	3.4
284.06863	1.9
285.04028	2.5
287.09140	0.9
299.05515	16.8
300.06268	6.6
315.08627	100.0
316.08862	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
59.69456	0.4
68.78763	0.4
68.99848	1.0
70.75944	1.2
73.28655	0.3
76.78862	0.4
132.05719	5.2
133.06470	0.7
134.03700	1.2
135.04468	0.6
137.67395	0.4
138.03214	0.7
140.01138	0.9
153.05565	0.5
155.04921	0.4
167.03406	3.1
168.00569	5.3
183.04523	0.5
186.01653	1.3
198.06836	0.7
199.97102	0.4
201.05444	0.5
211.03984	0.6
226.81979	0.5
227.07037	0.6
229.04904	2.3
241.04933	0.9
243.06474	3.4
244.07439	0.8
254.05852	1.4
255.06599	2.7
257.04443	4.7
269.04449	1.2
269.08197	0.6
270.05133	0.6
271.06012	2.3
272.06754	1.7
282.05310	1.2
283.06064	2.1
285.00793	0.7
285.03937	12.3
299.05542	10.3
300.06302	70.1
301.06595	0.9
315.08627	100.0
316.09003	1.7
327.91498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
56.97465	0.2
62.19081	0.2
63.61238	0.2
66.82410	0.2
68.99476	0.2
68.99809	0.7
69.85552	0.6
69.85966	0.5
76.85767	0.2
91.05505	0.4
103.05524	0.2
105.07053	0.4
108.05720	0.3
115.05396	0.3
118.04178	0.2
119.04942	0.8
121.06510	1.0
123.00836	0.2
131.04947	0.6
132.05753	0.3
133.06488	2.2
134.07283	1.3
135.04468	0.5
136.01595	0.3
137.05989	0.4
138.03119	0.6
139.00249	1.3
145.06488	0.8
146.07248	0.4
147.04430	0.7
147.08069	0.3
151.00290	0.3
151.03899	0.7
153.01825	0.3
153.05460	2.2
155.04913	0.6
156.05678	0.4
159.04437	0.3
161.05997	2.3
168.00598	0.5
169.01294	0.4
170.07254	0.7
171.04440	1.0
171.08051	0.5
173.06009	0.4
174.06757	1.9
175.07555	0.3
175.22098	0.2
183.02794	0.3
183.04399	0.4
184.05182	0.4
185.00732	0.4
185.06009	0.6
187.03909	0.4
188.08252	0.3
189.05597	0.5
197.05997	0.5
198.06804	0.9
199.07527	0.5
201.05383	1.6
202.06200	0.3
203.07172	0.3
211.03931	0.5
212.04776	0.3
213.05464	0.7
215.07248	0.4
216.07851	0.6
226.06281	0.7
227.07037	1.1
229.04988	2.5
230.05692	0.9
239.03394	1.8
240.04216	0.4
241.04958	11.5
243.06552	0.9
244.07347	0.4
248.06757	0.8
254.05754	1.0
255.06526	1.2
257.04489	4.0
259.09769	0.4
267.02890	0.6
268.03674	0.8
269.04434	10.8
271.06042	2.8
272.06796	1.5
285.03964	2.1
299.05490	2.0
300.06281	70.4
301.06647	1.2
315.08609	100.0
316.08960	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	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01869	1.1
55.05497	1.3
55.85020	0.5
56.96553	2.0
57.07061	0.5
58.84424	0.5
67.05502	2.0
68.99774	0.6
69.03413	0.8
69.07059	2.5
70.46827	0.5
73.82368	0.4
79.05486	1.3
81.03422	0.9
81.07042	2.7
83.08617	0.5
85.02908	0.7
85.06564	0.6
91.05493	2.3
93.07037	2.2
95.04950	1.5
95.08611	2.8
97.06538	1.3
98.21494	1.5
98.97600	4.1
99.04449	0.6
105.03377	0.6
105.07020	2.0
107.04943	1.0
107.08589	2.3
109.06530	0.6
109.10172	1.5
111.04456	0.6
115.05447	0.7
116.98638	1.6
117.07005	0.8
119.04930	0.9
119.08570	1.4
121.02848	0.6
121.06505	2.0
121.10148	0.9
123.04426	0.7
123.11684	0.8
124.01577	0.9
128.06236	1.0
129.06975	0.8
131.04951	0.7
131.08565	0.5
133.02843	1.6
133.06493	0.6
133.10110	0.9
134.03535	0.6
134.99614	0.5
135.04385	1.6
135.08031	0.6
137.02295	1.5
137.06027	3.0
138.03107	0.8
139.03883	1.1
145.10100	1.6
147.04491	0.5
148.05186	7.2
149.02365	0.9
149.05995	0.8
151.03917	3.8
151.07497	0.9
152.01050	5.6
152.06238	0.6
153.01833	1.2
153.05453	4.1
156.05714	0.8
157.10205	1.0
158.99652	1.1
159.08124	0.6
159.11690	1.2
161.06020	2.5
163.03914	1.8
165.02107	0.6
165.06978	0.8
166.07782	0.5
167.03407	4.7
167.04767	0.8
167.07109	0.7
169.06555	0.5
170.02119	1.7
171.08040	0.8
175.03928	1.9
175.07481	0.6
177.00592	0.8
177.05478	1.3
179.03419	1.3
181.06502	0.8
183.04440	0.8
184.05168	1.6
185.05965	0.9
195.04332	0.6
195.08032	1.2
197.05934	0.7
197.09650	0.6
197.13466	0.5
198.06741	0.8
199.07527	1.4
201.05417	1.3
209.13266	0.6
211.07555	1.4
212.04765	2.4
213.05495	4.5
216.04158	1.6
216.07718	0.7
223.07544	0.9
225.05493	0.6
225.16292	0.5
226.06287	0.7
227.06978	3.2
229.04933	2.8
230.23271	0.5
237.08940	0.5
239.03497	0.8
239.06970	1.1
240.04155	5.7
241.04939	1.5
241.08623	0.4
243.06458	3.5
244.03723	1.0
244.07246	1.5
244.99637	0.9
245.04466	1.4
251.07150	0.6
254.05814	0.6
255.06534	8.0
255.10344	0.9
256.07385	0.6
257.04449	4.2
259.05847	0.9
259.09702	8.9
267.02744	0.9
268.03671	1.6
269.04468	1.1
269.08160	1.5
271.06046	1.7
272.03336	0.9
272.06793	4.7
282.05365	1.4
283.06052	3.2
283.09665	5.0
285.03925	2.5
287.05466	1.7
287.09042	3.7
297.07489	1.4
297.11401	0.6
299.05374	1.7
300.03217	1.2
300.06293	34.3
315.05106	5.4
315.08603	100.0
315.19540	1.7
315.23181	1.5
316.05655	1.0
316.08987	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03952	0.3
55.01871	0.5
56.96560	0.5
65.03937	0.3
67.01856	0.3
67.05495	0.8
68.99790	0.6
69.03412	0.3
69.07067	0.3
70.02240	0.7
70.02644	0.5
79.05479	0.8
81.03394	0.3
81.07057	0.4
91.05497	0.6
93.03399	0.2
93.07047	0.4
95.04968	0.8
95.08612	0.5
98.97574	0.7
99.28806	0.2
103.05495	0.4
105.03379	0.4
105.07036	0.9
107.04906	0.4
107.08611	0.4
109.06528	1.1
109.10155	0.3
116.98635	0.3
117.07008	0.3
119.04910	0.3
119.08577	0.3
121.02847	0.6
121.06541	0.7
123.04439	4.3
123.08105	0.3
124.01579	0.7
131.04898	0.3
133.02844	6.5
135.04372	0.5
135.08057	0.8
137.05981	12.2
138.03140	1.9
138.37532	0.3
139.03925	1.0
145.10121	0.3
147.04451	0.5
148.05197	37.1
149.02321	2.1
149.05910	0.8
151.03908	4.1
152.01013	0.5
153.01851	2.8
153.05461	7.4
161.06003	1.8
163.03888	1.0
163.07530	0.4
170.01997	0.5
175.03925	1.0
177.05482	1.3
179.03409	2.7
191.07013	2.1
192.07820	1.4
201.05487	0.3
203.07037	0.4
211.07513	0.3
212.04706	1.1
213.05489	0.5
227.07091	1.2
229.04958	2.0
239.03458	0.3
240.04134	1.3
241.05014	0.8
243.06598	0.8
253.05019	0.4
254.05695	0.5
255.06464	1.1
256.07358	0.3
257.04483	3.1
257.07257	0.3
259.09653	3.3
268.03693	4.1
269.04510	1.2
271.05994	1.7
272.06750	1.4
282.05280	1.8
283.06042	9.3
285.03909	1.7
285.07254	0.5
287.09174	1.7
299.05469	5.5
299.08536	0.4
300.06287	15.1
315.08624	100.0
316.08878	1.6
332.78006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.05493	0.2
65.03932	0.8
68.20684	0.2
70.79537	0.5
75.26631	0.2
91.05463	0.6
93.03439	0.3
95.04959	0.5
102.73277	0.2
106.00517	0.4
107.04874	0.2
111.04425	0.7
119.04942	1.1
121.02943	0.2
121.06506	2.8
123.00800	0.3
123.04427	0.4
124.01571	2.4
128.06215	0.6
131.04868	0.2
133.02866	3.7
134.03633	0.5
135.04437	0.7
137.05986	0.5
139.03896	0.8
148.05193	18.4
149.02335	0.3
149.05988	0.6
150.06755	0.3
151.03915	1.6
151.07542	2.0
152.01054	14.8
153.01807	0.8
155.04941	0.2
156.05687	0.6
161.02350	0.3
161.05960	0.4
161.10332	0.2
161.71472	0.2
162.03250	0.2
163.03918	1.2
167.03409	7.0
168.05794	0.4
170.02116	2.8
170.07327	0.3
171.08049	0.5
173.05965	0.3
173.59155	0.2
175.03914	3.1
175.07614	0.3
176.04652	0.5
177.05424	0.6
179.03435	0.3
183.04459	0.7
184.05246	1.3
184.95546	0.2
187.07582	0.3
197.06027	0.4
198.06757	0.9
199.07530	0.9
201.05489	1.1
203.06999	0.4
212.04736	0.9
213.05482	2.0
215.03514	0.3
215.07094	0.3
216.04251	0.4
216.07758	0.3
223.21323	0.2
225.05458	0.2
226.06235	1.0
227.07030	3.2
229.04935	1.6
230.05768	0.3
231.06549	0.3
239.03343	0.8
239.07091	0.3
240.04170	6.5
241.04929	0.6
243.02968	0.2
243.06575	2.3
244.07304	0.6
245.08128	0.2
253.05170	0.3
254.05731	0.7
255.06540	5.7
256.07199	0.6
257.04419	2.4
259.09686	3.6
267.02914	0.5
269.08029	0.4
271.06018	0.3
272.06775	3.8
282.05240	2.6
283.05933	1.5
283.09628	1.0
285.04037	1.0
287.09116	1.4
292.05923	0.5
299.05423	0.5
300.06290	39.3
301.06616	0.8
315.08621	100.0
316.09042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
56.96575	0.4
65.03919	0.5
67.01868	0.8
67.05500	0.5
71.01382	0.8
79.05484	0.5
79.13770	0.4
81.07042	0.5
91.05462	1.2
92.52948	0.4
93.07077	0.5
95.04974	0.9
95.08630	0.4
98.97601	0.6
105.06981	0.6
109.06503	0.4
109.52254	0.4
111.04414	1.3
112.15495	0.4
119.04947	3.0
121.06508	4.9
121.10158	0.4
123.04389	0.6
125.02377	0.4
134.03647	1.1
135.04422	0.6
137.05980	3.3
138.03123	2.7
147.04387	0.5
148.05171	1.4
149.05986	1.4
151.03914	5.1
153.05469	9.4
153.06726	0.5
157.56870	0.4
161.05988	1.0
161.50063	0.4
163.03894	3.4
166.02583	0.4
167.03404	25.2
168.05571	0.4
171.08051	0.6
175.03896	4.7
176.04570	0.5
177.05499	0.8
179.03419	0.6
184.05182	0.8
185.06012	0.7
189.05513	1.6
191.07027	0.5
193.04935	0.3
197.06064	0.5
198.06790	0.5
199.03847	0.4
199.07567	0.9
199.93533	0.4
201.05536	0.9
205.04967	0.4
211.03842	0.5
211.07504	0.4
212.04646	1.9
213.05569	0.5
214.05997	0.4
215.07089	0.4
217.04947	0.5
226.06219	1.4
227.07050	2.6
229.05017	0.7
230.05670	0.9
231.06482	1.0
239.07083	0.4
240.04173	2.0
241.08655	1.2
243.06471	2.9
244.07368	1.6
254.05801	1.8
255.06544	13.0
256.07190	0.6
257.04459	1.6
259.09653	5.5
269.08014	0.6
271.05875	0.8
272.06696	2.0
282.05222	3.0
283.06042	1.3
283.09354	0.6
285.04218	0.5
287.09183	3.8
297.07715	2.7
299.05508	1.3
300.06253	6.5
315.08618	100.0
316.08829	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	315.0861
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01815	0.4
55.50777	0.1
65.03893	0.2
67.05442	0.3
68.99733	0.5
69.03397	0.2
69.07024	0.3
69.34727	0.5
69.35149	0.6
70.06545	0.1
71.04941	0.2
79.05444	0.4
81.03368	0.2
81.06994	0.4
83.04930	0.2
85.02851	0.3
85.06483	0.1
91.05445	0.3
93.06969	0.5
95.01321	0.3
95.04914	0.2
95.08517	0.4
97.02836	0.2
98.97520	0.2
105.03344	0.2
105.06988	0.3
107.04939	0.2
107.08560	0.3
109.02821	0.3
109.10117	0.1
111.04369	0.4
117.03329	0.1
119.08537	0.2
120.08046	0.3
121.02835	0.2
121.10099	0.1
123.00820	1.2
123.04273	0.2
128.06157	0.4
131.04852	0.1
131.08557	0.1
133.02773	0.2
133.10095	0.2
134.03638	2.4
135.04385	0.3
137.02281	0.5
137.05893	0.4
138.03102	0.6
138.09119	0.2
139.03847	0.3
139.05385	0.5
140.06978	0.2
143.08514	0.2
144.05627	0.2
145.02766	0.2
145.06422	0.3
148.05229	0.7
148.07550	0.3
149.02373	0.2
151.00215	0.4
151.03844	0.6
152.00993	0.5
153.01837	0.8
153.05431	0.2
155.04848	0.4
156.05586	0.4
157.06467	0.1
159.04425	0.3
161.05965	0.3
162.05475	0.2
163.03891	0.4
165.01796	0.2
166.02632	1.2
167.03439	6.3
167.04861	0.9
168.03680	0.2
168.06630	0.2
169.01331	1.2
170.03609	0.2
171.04370	0.3
171.08038	0.2
173.05956	0.3
175.03867	0.5
177.05383	0.2
177.06876	0.1
183.04352	0.4
184.03616	3.8
184.05182	1.2
185.05914	0.2
187.03798	0.4
187.07538	0.1
188.08286	0.2
192.04179	0.2
195.04491	0.8
196.05222	0.2
197.06007	0.2
198.06734	0.3
199.08598	0.5
200.04565	0.2
201.05460	1.5
206.27794	0.1
211.03957	0.7
212.04697	3.5
213.05449	0.6
215.07130	0.3
216.07838	1.5
223.03853	0.5
225.05446	0.2
225.10295	0.3
226.06209	0.2
227.06905	1.6
227.11885	0.2
228.04198	0.6
229.04970	2.7
230.05782	0.2
239.03319	0.5
240.04176	4.8
241.04871	0.4
242.05753	0.1
243.06541	6.2
244.07317	3.8
254.05670	0.2
255.06543	5.3
255.11142	1.1
257.04471	1.6
259.09708	1.7
267.02902	1.3
267.05551	0.2
268.03674	3.5
269.07266	0.5
269.12823	0.3
271.06134	1.2
272.06805	2.7
282.05304	0.2
283.02869	0.2
283.06055	4.8
284.03061	0.3
284.06458	0.3
285.03912	1.5
285.06784	0.4
286.04639	0.2
286.07446	0.7
287.08698	0.3
297.06903	0.4
297.12369	0.4
299.05533	4.8
299.08948	0.2
300.06302	33.9
301.06732	0.5
315.08618	100.0
315.13083	4.5
316.09018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0858
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
67.05499	0.5
69.07063	0.4
70.12302	1.3
91.05460	0.5
92.02594	0.3
93.07037	0.3
95.04969	0.4
98.97603	0.3
105.07030	0.6
107.04971	0.3
107.08593	0.3
109.10158	0.3
117.03384	0.3
118.04196	0.3
119.08571	0.3
121.02870	0.3
123.00784	1.9
125.02374	0.4
128.06223	1.6
131.04933	0.4
134.03639	1.5
135.04439	0.5
137.02310	1.4
137.06003	0.6
138.03143	0.8
139.05417	0.5
145.02837	1.6
145.06566	0.4
148.05219	1.5
149.05986	0.5
151.00262	1.7
151.03938	0.6
152.01009	1.8
152.06158	0.3
153.01819	3.3
153.05472	0.4
155.04922	1.0
156.05685	1.9
157.06454	0.3
161.06093	0.3
162.05545	0.6
165.07056	0.3
166.02687	1.3
167.03397	1.8
167.04819	0.5
169.01411	0.4
169.06436	0.5
170.02017	0.5
173.05969	0.5
175.03902	0.3
177.05508	0.5
183.04457	1.5
184.03668	0.5
184.05193	3.8
195.04437	1.0
197.06033	0.6
198.06845	0.3
199.07443	0.4
201.05455	1.9
211.03914	1.0
212.04683	5.6
213.05505	0.6
215.06979	0.7
223.03824	0.7
225.05479	0.5
226.06302	0.6
227.06956	1.7
228.04221	0.8
229.05025	3.0
238.72998	0.3
239.03383	1.1
240.04178	8.5
241.04881	0.5
243.06482	2.4
244.07411	1.6
254.05795	0.3
255.06523	5.0
257.04486	3.6
259.09579	1.6
267.02933	2.0
268.03702	6.0
271.06079	1.0
272.06805	1.8
273.07474	0.3
282.05179	0.4
283.06003	2.8
283.09506	0.9
284.03424	0.3
285.03961	4.6
287.05750	0.3
287.09152	0.7
297.07654	0.8
299.05472	1.6
300.06302	51.6
301.06631	1.0
315.08627	100.0
316.08911	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
70.43053	1.0
85.78344	0.3
95.01339	0.3
123.00768	0.8
126.52328	0.3
128.06180	0.3
128.09183	0.3
134.03616	2.6
134.09044	0.3
138.03119	0.4
139.05402	0.3
148.05212	0.5
151.00255	0.3
151.03983	0.4
152.01009	0.4
156.05643	0.3
166.02666	1.6
167.03435	7.1
167.04887	0.6
169.01370	1.0
170.03586	0.5
171.04448	0.4
175.03888	0.8
183.04390	0.4
184.03667	4.0
184.05232	1.1
185.06030	0.4
188.08411	0.3
195.04457	0.8
199.07478	0.3
201.05458	0.9
211.03929	0.7
212.04668	2.9
213.05438	0.5
215.07108	0.8
216.07838	1.8
216.94913	0.3
223.03937	0.8
227.07042	1.5
228.04204	0.5
229.04976	2.9
239.03369	0.4
240.04166	4.2
241.05156	0.4
242.05676	0.3
243.06560	5.8
244.07291	4.1
251.39146	0.3
254.05911	0.5
255.06516	4.9
257.04434	1.2
259.09589	1.5
267.02841	1.3
268.03625	1.8
271.06052	1.5
272.06824	3.0
283.06049	5.7
284.06610	0.4
285.03906	0.7
287.08994	0.4
299.05521	5.5
300.06293	29.8
309.49454	0.4
315.08630	100.0
316.09033	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	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
54.87393	0.2
71.37446	0.5
79.49268	0.2
81.03416	0.5
82.21420	0.2
94.79162	0.2
95.04969	0.3
109.02888	3.5
109.10186	0.2
118.04152	0.3
119.04930	0.3
121.06493	1.1
123.04432	1.0
127.03900	0.3
128.06274	0.4
132.05696	0.9
133.06454	0.6
135.04408	1.1
137.02370	0.6
141.06999	0.3
143.08583	0.2
143.22792	0.2
145.06491	0.5
151.03902	1.0
153.01823	1.5
153.05446	0.8
154.02611	0.3
155.03409	2.9
155.04793	0.4
156.05698	0.5
161.05968	1.1
167.03380	0.9
167.04762	0.3
170.07277	0.8
171.08047	1.7
173.05983	0.3
179.03387	0.6
182.02065	2.2
182.07195	0.3
183.02809	0.6
183.04372	0.5
184.05176	1.3
185.05989	0.6
187.07542	0.3
195.08067	0.3
197.06013	0.5
198.06772	3.1
199.02266	0.3
199.07520	2.3
200.03238	1.4
201.05463	0.9
209.05894	0.3
211.03903	0.6
212.04697	1.1
213.05443	1.4
213.09134	0.8
215.07135	0.4
216.07841	0.5
226.06279	2.8
227.07053	4.4
229.05011	1.5
240.04211	0.7
241.04826	0.6
241.08585	0.9
243.06572	1.4
244.07365	1.4
254.05785	0.6
255.06557	3.9
256.07285	0.4
257.04443	1.8
259.09683	7.7
268.03650	0.3
269.04465	0.4
271.06046	3.1
272.06805	3.9
282.05334	0.3
283.06055	0.7
283.09259	0.2
285.04050	0.4
286.08282	0.3
299.05484	1.1
300.02774	0.4
300.06290	14.3
315.08624	100.0
316.09067	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	315.0862
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
57.70335	0.4
69.33848	2.3
94.88787	0.4
108.57302	0.4
113.07893	0.4
123.00821	1.6
128.06262	1.4
134.03679	1.1
137.02382	1.0
138.03200	0.6
139.05481	0.4
145.02922	1.3
148.05284	1.5
149.06038	0.5
151.00352	2.1
152.01102	2.1
153.01785	2.9
155.04926	1.0
156.05783	1.7
166.02689	1.5
167.03470	1.6
167.04906	0.7
173.06099	0.7
183.04410	1.3
184.05182	3.3
195.04393	1.0
197.05945	0.4
198.06784	0.5
201.05516	1.5
211.03987	1.2
212.04691	5.7
213.05536	1.5
216.07872	0.6
221.66389	0.4
223.03992	0.7
226.06178	0.6
229.04968	2.2
237.05203	0.4
239.03435	1.4
240.04187	7.9
243.06473	2.1
244.07352	1.6
255.06503	3.1
257.04465	3.4
259.09644	0.8
267.02859	2.1
268.03647	6.2
272.06876	2.1
283.06033	2.2
285.03958	3.9
299.05539	1.0
300.06299	55.0
301.06485	0.6
315.08624	100.0
316.09006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
59.04861	0.2
63.89993	0.2
65.03956	0.3
65.23792	0.2
68.02657	0.3
69.37755	1.5
76.89275	0.2
81.03430	0.3
81.07063	0.2
87.20233	0.2
91.05453	0.4
93.03419	0.4
95.05005	0.2
96.02133	0.3
98.20730	0.3
102.83562	0.2
105.03340	0.2
106.00551	0.3
107.05037	0.2
109.02922	0.2
111.04456	0.6
119.04943	1.1
121.02913	0.2
121.06509	1.8
123.00848	0.3
124.01582	1.7
124.16094	0.2
128.06261	0.7
133.02850	4.8
134.03673	0.2
135.04430	0.8
137.02412	0.2
137.05957	0.3
139.03932	1.0
145.06432	0.2
147.04430	0.3
148.05197	18.5
149.06029	1.1
150.06760	0.3
151.03888	0.8
152.01051	15.6
153.01839	0.9
154.61119	0.2
155.04918	0.4
156.05701	0.4
161.05966	0.2
163.03932	1.4
167.03412	7.8
170.02094	2.8
171.08119	0.3
173.05997	0.4
175.03912	3.1
175.05295	0.3
176.04639	0.2
177.05498	0.3
179.03410	0.3
183.04459	0.6
184.05177	0.7
185.05997	0.3
197.06001	0.4
198.06744	0.6
199.07565	0.8
201.05434	1.0
211.03864	0.4
212.04660	1.0
213.05450	2.0
215.06984	0.2
216.04207	0.3
216.07857	0.4
217.43716	0.2
226.06226	0.6
227.07034	1.5
229.04962	2.0
230.05655	0.5
239.03410	0.7
240.04187	6.7
241.04919	0.7
242.05966	0.3
243.06538	2.1
244.07266	0.7
254.05794	0.7
255.06532	4.8
256.07242	0.5
257.04462	2.2
259.09671	3.4
267.02957	0.4
268.03821	0.4
269.08340	0.2
271.06021	0.7
272.03500	0.3
272.06775	3.4
282.05237	1.9
283.06165	1.0
283.09363	0.2
285.03925	0.7
287.09122	1.0
297.07690	0.3
299.05389	0.5
300.06293	38.0
301.06616	0.5
315.08621	100.0
316.09003	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	315.0862
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
67.05480	0.2
71.58712	0.2
79.05492	0.2
81.07047	0.2
85.06521	0.5
86.06854	0.2
86.09711	0.3
90.36456	0.2
91.05495	0.3
93.07061	0.2
95.08614	0.4
109.02821	0.2
111.04469	0.3
118.04141	0.3
119.08588	0.2
121.06476	0.2
123.00793	1.6
128.06226	0.9
133.02803	0.2
134.03642	1.4
135.04361	0.2
137.02283	1.1
138.03078	0.8
138.06737	0.2
138.09154	1.4
139.05383	0.5
141.07054	0.2
145.02881	0.9
145.06456	0.3
148.05171	1.3
149.05959	0.3
151.00264	1.1
151.03937	1.2
151.07500	0.5
152.01057	1.4
152.06120	0.2
153.01834	2.3
155.04893	0.5
156.05708	1.4
159.04504	0.2
160.57954	0.2
161.06032	0.2
162.05511	0.2
163.03894	0.3
166.02644	1.4
166.08597	0.2
167.03442	3.7
167.04898	0.7
169.01306	0.7
170.02016	0.2
171.04282	0.2
173.05960	0.4
175.03857	0.4
177.05528	0.2
180.05588	0.2
183.04411	0.8
184.03645	1.8
184.05202	2.6
185.05986	0.2
195.04417	0.8
197.05997	0.5
198.06783	0.4
199.07481	0.3
201.05496	1.4
208.05228	0.9
211.03882	0.7
212.04688	4.5
213.05426	0.8
215.07045	0.6
216.07843	0.9
223.03926	0.8
223.07487	0.2
225.05472	0.3
226.06308	0.5
227.07018	1.9
228.04172	0.6
229.04970	2.9
239.03419	0.7
240.04182	6.4
241.04984	0.3
241.08458	0.3
243.06546	3.1
244.07356	2.4
251.03432	0.2
253.04945	0.3
254.05724	0.5
255.06563	5.3
257.04471	2.7
259.09698	1.4
267.02829	1.9
268.03690	4.5
269.08078	0.5
269.12552	0.2
271.05960	0.9
272.06821	2.2
282.05316	0.5
283.06024	4.0
283.08975	0.2
284.03174	0.4
284.06091	0.3
285.03961	2.5
287.09137	0.8
297.12354	0.2
297.18161	0.6
299.05508	3.1
300.06299	43.7
301.06653	0.8
315.08627	100.0
316.08942	1.5
316.79739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.66032	0.3
65.03939	0.4
68.99757	0.4
70.33489	0.7
81.03392	0.8
85.86866	0.3
91.05467	0.4
100.09973	0.3
108.02081	0.3
119.04932	1.3
121.02881	0.6
123.04459	0.6
125.05962	0.5
128.06215	0.8
134.03607	0.5
135.04417	0.5
137.02342	11.8
137.03412	0.6
141.07005	0.4
147.04370	0.5
148.03900	0.8
148.05186	1.9
149.02341	0.6
149.05949	0.4
151.07555	0.8
152.06252	0.7
153.05457	0.9
153.06889	0.5
154.02580	0.3
155.04831	0.3
156.05664	0.9
157.06561	0.5
162.03101	0.9
163.03917	0.7
164.04680	0.9
165.06978	0.5
167.03423	1.2
168.05711	2.6
171.08047	5.8
175.03883	0.6
181.06487	1.1
183.08018	0.6
184.05191	3.3
185.05910	0.9
187.03865	0.9
189.05469	0.4
191.03323	0.3
196.05185	4.3
197.06030	1.7
198.06805	0.3
199.07466	0.6
200.04672	0.4
201.05446	1.2
202.02629	0.4
206.05739	0.5
211.04044	1.5
211.07562	6.4
212.04692	13.3
213.05505	2.0
215.03419	1.3
224.04686	2.3
225.05418	1.6
226.06323	1.5
227.07025	20.2
228.04179	0.7
228.07495	0.3
229.04987	1.4
237.05502	0.4
239.03403	1.0
239.07025	2.3
240.04172	8.1
241.04880	0.9
243.06395	0.5
252.04308	0.8
253.04970	1.3
254.05757	3.2
255.06541	31.8
256.07053	0.8
257.04477	2.8
259.09747	1.0
265.04910	0.5
267.02808	0.3
267.06528	1.0
268.03674	4.5
269.04486	0.5
269.09241	0.7
269.12491	0.3
271.05957	1.5
272.06812	0.4
281.04541	1.9
282.05185	1.5
283.06027	23.7
284.06552	1.4
285.04001	1.8
287.09238	0.9
297.07712	0.4
299.05576	1.7
300.06287	6.3
315.08621	100.0
316.08984	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	314.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11467	1.1
53.00557	1.1
55.01875	3.4
55.05500	1.7
56.05050	3.0
56.96571	5.6
57.03437	3.4
58.99591	2.9
63.16682	1.2
65.03936	2.0
67.05512	1.7
69.03436	4.0
69.07069	2.0
70.06593	9.3
71.04990	1.5
71.55492	1.2
71.55885	1.5
72.08163	10.1
73.01187	1.4
73.02940	1.9
74.06102	2.4
79.05508	1.7
81.03440	3.8
81.07072	1.6
82.06586	2.1
84.04507	5.6
84.08154	4.7
85.01130	2.0
85.02929	5.9
86.09711	5.9
88.07658	1.3
90.01552	1.2
90.05567	3.7
91.05499	5.6
93.07048	2.8
95.04984	2.7
95.06059	1.5
95.08566	1.2
97.02889	7.7
97.07667	3.2
98.97612	8.6
102.05574	2.3
103.05473	1.1
104.09730	1.1
105.07046	4.5
108.08121	5.3
109.01102	2.9
110.07207	1.6
110.97582	2.2
111.02691	2.3
112.07615	5.9
115.05460	7.9
116.06297	1.8
116.07094	1.8
116.98608	2.6
117.07014	6.1
119.04962	1.4
119.08548	1.5
120.08145	1.7
122.06046	1.6
123.02693	3.4
123.04388	1.8
124.03998	5.5
124.07558	2.8
125.04230	2.0
128.06258	3.9
130.08707	1.6
133.06535	2.6
134.01842	6.2
134.09651	1.7
135.02661	2.1
136.06223	4.4
136.07574	3.2
137.00604	1.7
138.05487	2.9
138.09201	1.5
140.07048	2.5
141.10205	1.4
145.06516	4.4
147.04439	1.6
147.08067	1.5
149.04222	16.3
150.05534	1.3
151.02121	2.7
151.03914	3.8
151.05746	6.2
152.04259	1.3
152.07036	5.6
152.10747	4.4
153.03703	3.2
153.05513	1.5
155.01703	1.4
158.99667	1.9
159.02609	1.3
161.04204	3.2
161.06023	2.0
163.02191	1.5
163.03816	1.5
163.07620	1.6
164.07088	2.9
166.07329	1.2
166.08630	2.3
167.05316	2.3
168.06630	2.4
170.08171	1.3
177.00728	1.4
177.03719	27.9
177.05287	1.9
179.03725	1.8
179.05295	12.0
180.99561	26.4
181.03224	3.4
182.08189	1.7
183.01161	1.9
184.04971	1.6
187.02179	2.5
189.05580	2.2
195.04787	9.6
197.02692	2.2
197.06337	3.2
197.12906	3.0
199.00630	2.9
205.03210	59.6
207.04742	3.4
209.02710	4.0
219.01793	3.2
223.04276	34.4
225.05788	2.8
227.00111	10.9
237.02896	2.4
241.05232	2.2
243.03282	1.4
243.64192	1.4
251.03755	56.7
269.04819	100.0
270.05273	1.3
282.15042	1.3
296.11200	2.9
296.16159	1.6
314.07300	2.9
314.10947	21.1
314.17023	9.3
314.20758	4.3
315.10419	4.6
315.19202	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	314.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01868	1.8
55.05494	1.7
56.05040	1.4
56.96571	1.7
57.03435	1.6
57.42967	1.0
58.99575	2.7
60.04070	0.8
61.02916	1.1
63.21812	0.9
65.03944	1.7
65.30795	0.9
66.75847	1.0
67.05499	3.9
69.03437	4.5
69.07043	1.3
70.06583	4.1
70.21686	0.9
71.04993	1.0
71.57128	1.3
72.08163	12.2
73.01152	1.6
73.06570	1.1
74.27382	0.8
77.03933	1.4
79.05496	4.0
81.03423	1.5
81.07069	4.8
82.06575	2.4
84.04497	1.3
84.08130	2.7
85.01167	1.2
85.02914	7.6
85.06555	1.2
86.09730	1.0
89.06087	0.9
91.05463	5.9
93.07015	1.9
94.06578	1.0
95.01320	1.0
95.04974	2.1
95.08587	1.5
96.04465	1.1
96.08138	1.6
97.01122	2.2
97.02883	5.1
97.07659	1.8
98.97589	4.8
100.47512	0.9
102.05534	2.2
103.03950	0.9
105.07012	3.8
106.02896	2.8
108.04510	1.0
108.08119	2.1
109.01083	2.5
109.02862	1.4
109.06516	2.0
110.06048	2.3
110.09688	1.3
111.02644	2.0
111.04408	1.2
112.07608	2.2
113.18788	0.9
115.05457	7.1
116.06274	1.9
116.07109	3.0
116.98607	2.8
117.07040	4.9
119.04932	2.9
119.08585	1.5
121.06509	1.6
122.06116	1.3
123.02637	3.1
123.04417	1.1
124.03995	7.3
124.07597	4.5
125.04245	2.2
127.03908	2.4
128.06209	3.0
130.08618	1.1
134.01869	5.0
134.04497	1.2
134.05981	3.3
135.02641	2.7
135.10176	1.5
136.06276	0.9
136.07607	2.6
137.00569	0.9
137.04237	1.5
138.05519	6.2
138.09131	1.9
139.05806	1.1
140.07112	1.2
141.10223	1.0
145.06430	2.7
147.04413	1.2
149.04202	11.8
149.05965	1.0
151.02148	2.1
151.03929	1.3
151.05766	7.3
152.01637	3.1
152.07097	14.7
152.08214	1.6
153.00023	1.1
153.03688	2.2
156.10162	1.0
158.11768	1.2
159.02626	1.2
161.04193	3.5
161.05983	1.8
162.05533	1.3
163.02144	1.1
163.03860	1.4
164.02927	1.3
164.06982	2.5
165.00064	1.5
166.04988	4.2
166.08583	1.5
167.05283	1.7
168.06586	1.0
170.08194	1.2
171.14867	1.3
176.07060	1.0
177.03712	18.8
179.01695	1.8
179.03751	1.8
179.05240	11.5
180.99556	31.6
181.03145	2.8
181.04848	1.9
182.06819	1.0
183.01048	2.2
187.02155	2.2
188.03783	1.6
189.05504	1.1
195.04756	4.5
197.02676	2.7
197.06277	3.0
199.00587	3.7
205.03210	36.1
207.04776	3.7
209.02699	2.1
223.04253	27.9
225.05748	3.1
227.00108	15.2
233.02649	1.2
241.05286	1.8
251.03775	26.8
257.03311	1.2
269.04810	100.0
270.04919	1.7
296.11371	1.2
314.07294	2.0
314.10327	4.9
314.13263	1.2
314.16833	4.3
314.20782	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	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.8
57.03440	22.1
57.07079	65.7
60.42488	0.7
67.05171	1.0
67.05510	13.6
68.49009	0.8
69.07072	10.4
70.70108	1.8
70.70479	1.5
71.04981	0.8
71.08638	42.2
77.03922	0.9
81.07063	17.7
83.04977	1.5
83.08622	12.9
85.06546	1.7
85.10189	22.8
85.61279	0.8
89.06037	3.3
93.07051	1.5
95.08617	24.8
97.06552	1.1
97.10168	6.9
99.03288	1.0
99.11732	1.5
103.07577	2.7
105.07017	1.1
109.10165	9.7
111.11722	1.4
116.63772	0.8
121.10111	1.1
123.11694	5.2
125.13246	1.1
137.06044	1.2
137.13232	1.2
144.37563	0.9
150.40419	0.8
151.03928	0.9
151.91089	0.7
160.44827	0.8
161.05969	1.7
162.03206	1.6
181.04973	0.8
181.06424	1.7
184.05263	0.8
195.08040	0.8
198.06693	1.0
199.07582	1.5
205.04979	1.0
205.97473	0.8
211.07603	2.0
212.04814	1.4
213.09074	1.7
227.07045	1.6
239.07097	1.3
239.23697	5.3
240.04219	1.7
241.08659	1.3
251.07112	1.6
252.08017	0.8
253.05011	1.1
254.05643	1.5
255.06616	4.1
257.11786	2.0
257.24734	8.3
267.06448	1.5
268.03738	1.5
269.08145	12.0
270.05338	0.9
270.08752	1.7
280.07285	1.0
281.07990	3.0
283.05988	4.3
284.06818	2.6
297.07581	14.9
298.04742	4.1
298.08344	6.0
298.27243	1.0
313.07071	19.7
313.10733	69.7
313.27393	100.0
314.11060	2.5
314.27917	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2163
Annotation	5,6-Didehydro-O-methylsugiol
Peak:m/z	Relative Intensity
54.15570	0.3
55.01865	0.5
55.05299	0.4
55.05514	4.5
57.03440	3.6
57.07077	12.0
59.05008	0.6
59.41124	0.3
65.03941	0.5
67.05508	5.7
68.99816	0.4
69.03446	0.7
69.07070	8.0
69.70284	1.7
71.04978	0.4
71.08282	0.5
71.08635	6.8
79.05495	4.1
81.07061	14.9
83.04984	1.0
83.08611	2.6
85.02433	0.4
85.02913	4.2
85.06554	0.8
85.10186	4.1
89.06040	0.4
91.05485	6.0
93.07052	6.0
93.79241	0.3
95.04961	1.2
95.08611	21.6
97.06543	1.0
97.10172	1.5
103.05461	2.5
103.07556	0.4
105.07037	10.8
107.04950	1.1
107.08599	30.5
109.06519	2.0
109.10154	5.4
111.04445	4.7
111.08095	1.0
111.75674	0.3
113.05998	0.8
115.05442	1.3
117.07021	2.6
119.04950	0.5
119.08582	6.9
120.05780	0.4
121.06519	1.8
121.10156	6.1
123.08061	2.0
123.11710	2.7
125.06019	2.1
125.09637	0.6
128.06233	0.9
129.06990	2.3
129.72678	0.3
131.08586	2.5
133.06482	1.6
133.07428	0.4
133.10138	3.3
135.08073	2.4
135.11690	1.4
135.21812	0.3
137.05992	2.4
137.09616	0.9
137.13251	4.1
139.07542	0.4
141.06982	0.5
142.07779	1.0
143.08578	1.9
145.06477	1.2
145.10118	5.2
146.07253	0.4
147.04398	0.7
147.08075	1.6
147.11679	3.3
148.05208	1.9
149.02444	0.4
149.09631	1.3
149.13266	9.9
151.03899	1.2
151.07559	1.8
151.14813	1.0
152.06227	0.4
153.06981	1.1
154.07822	0.5
155.08571	2.5
156.09328	0.7
157.10141	1.4
158.07343	0.4
159.08060	1.6
159.11668	2.3
161.05974	1.7
161.09605	1.6
161.13284	0.6
162.03136	0.7
162.06686	0.4
163.07550	16.3
163.11208	0.9
165.06943	0.8
165.09116	18.5
166.61206	0.4
167.08589	0.5
168.09360	0.7
169.06490	0.6
169.10165	2.2
171.08086	0.9
171.11723	1.5
172.08788	0.7
173.09653	2.1
173.13303	1.1
175.03955	0.7
175.07520	2.2
175.11209	1.4
175.14821	0.6
176.04576	0.4
177.05539	0.5
177.09119	6.6
177.12753	0.7
179.08583	0.4
179.10704	0.5
181.05008	0.6
181.06517	0.9
181.08607	0.8
181.10156	1.0
182.07280	0.4
182.10979	0.9
183.08043	0.9
183.11707	1.9
184.05228	0.5
185.06094	0.6
185.09663	0.9
185.13292	0.7
186.10388	0.5
187.07516	1.0
187.11214	1.6
187.14854	0.7
188.08376	0.7
189.09109	3.3
189.12762	0.7
189.16396	1.2
191.10648	2.3
191.14288	0.4
192.09294	0.6
193.10266	0.5
195.08011	0.5
195.11713	1.0
196.08832	0.6
197.06001	0.7
197.09674	1.0
197.13251	2.2
199.07591	1.0
199.11183	0.8
199.14899	0.5
201.09108	1.8
201.12703	0.8
201.16415	0.9
203.10678	2.0
203.14297	0.9
205.12218	2.2
207.11702	0.9
209.05995	0.9
209.13330	0.7
211.07614	0.8
211.11183	2.0
211.14781	1.1
212.04735	1.4
213.09111	1.7
213.12750	0.6
214.06264	0.7
214.09956	0.9
215.10695	0.8
215.14224	0.9
217.12247	1.9
219.13820	1.1
221.13223	0.9
223.14877	0.7
225.05556	0.7
225.12692	1.8
226.06361	0.6
227.07091	1.7
227.14232	0.4
228.11415	0.6
229.12265	2.7
229.15884	1.2
231.13858	2.7
237.05437	0.8
239.07031	1.2
239.14317	0.6
239.18022	0.4
239.23625	0.6
240.04207	2.3
241.08624	1.9
242.05721	0.6
242.09407	0.6
243.13780	2.3
245.15411	6.0
251.07030	1.9
252.07823	1.4
253.04851	2.0
253.08539	0.8
253.15765	0.8
253.19511	1.9
254.09270	0.7
255.06558	2.7
257.11887	2.4
257.15356	6.2
257.24905	0.8
263.17831	1.1
267.06592	1.4
268.03668	1.7
268.07013	0.4
269.08084	9.7
269.15558	0.4
270.05453	0.8
270.08932	1.2
271.16965	2.6
279.06558	0.8
280.07254	0.7
281.04788	0.9
281.08139	2.6
281.19000	2.3
282.08911	0.9
283.06049	4.0
284.06720	1.3
285.07529	1.6
285.10971	0.4
285.22144	2.7
295.05957	0.8
295.17258	0.9
295.20514	7.1
297.07571	13.8
298.04733	4.6
298.08350	5.1
313.07059	20.9
313.10715	55.8
313.21616	100.0
313.27100	17.7
314.07547	0.8
314.11002	1.3
314.21866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1798
Annotation	3-Oxosaprorthoquinone
Peak:m/z	Relative Intensity
52.24927	0.7
53.03956	0.8
53.91312	0.7
55.01875	0.6
55.05515	1.5
56.96549	0.7
57.07076	2.8
62.40196	0.6
65.03936	2.4
65.52650	0.5
67.05209	0.7
67.05518	6.8
69.07078	2.0
69.44717	5.2
71.08651	0.8
79.05504	6.6
80.82075	0.7
81.07072	2.3
83.01321	0.8
83.04990	0.9
83.08614	0.5
85.06548	3.6
91.05489	100.0
93.07051	2.2
95.04964	1.3
95.08615	5.6
98.97544	0.7
102.91359	0.7
103.05479	3.2
105.03384	0.9
105.07038	63.6
107.04967	1.3
107.08595	1.5
109.02922	0.9
109.06493	0.7
109.10181	1.6
111.04452	0.7
113.05982	0.7
115.05502	1.2
117.07014	3.8
119.04991	1.5
119.08557	1.7
121.06508	3.8
121.10103	1.0
123.08051	0.7
128.06258	1.4
129.07024	2.0
131.08539	1.5
131.59193	0.6
133.06503	1.6
133.10127	0.8
135.04446	2.4
137.05975	8.6
141.06998	2.3
142.07797	0.7
143.08543	1.6
145.06561	0.8
145.10139	1.5
147.04395	1.0
147.08022	1.0
148.05246	2.3
149.06004	3.0
150.06802	1.4
151.03946	3.2
151.07579	0.8
153.06926	1.0
155.08543	1.0
156.05722	0.7
157.10214	1.0
158.07306	2.7
159.08099	1.2
159.10170	1.5
159.11687	1.2
161.06003	5.1
162.03120	1.1
163.03979	0.9
163.07570	3.1
165.07019	1.7
166.07828	1.4
167.08556	1.6
168.05769	0.7
169.06506	0.8
171.04448	0.7
171.08047	2.5
171.11713	0.9
175.03957	1.1
175.07603	3.2
175.11195	0.7
176.04707	1.0
178.07861	0.7
181.04941	1.0
181.06488	1.4
181.10143	5.6
182.03564	1.7
183.04410	1.2
183.11696	1.0
184.05261	2.0
185.06020	2.1
185.09608	1.6
186.06784	1.9
188.08424	0.7
189.05618	0.7
189.09074	1.9
193.10159	0.8
197.06047	2.1
198.06769	1.6
199.03857	0.7
199.07562	1.7
201.05450	0.8
202.10011	0.7
203.10651	4.1
206.17123	0.6
208.08842	0.9
209.05998	1.1
209.09663	2.5
210.03127	1.1
211.07574	2.7
211.11310	0.7
212.04689	3.3
212.08409	0.7
213.05499	1.8
213.09019	3.1
213.12654	0.8
214.06268	12.7
215.06631	0.9
217.12349	3.3
223.11255	1.3
225.05515	6.4
225.09053	1.3
225.12801	1.1
226.06216	1.1
226.09903	2.0
227.07005	4.2
227.10661	1.6
229.08620	1.9
229.12273	0.8
237.05469	1.1
238.06168	0.7
239.03357	0.8
239.07031	1.8
239.10648	1.1
240.04219	4.9
240.07951	0.9
241.08403	2.5
241.12259	92.4
242.05786	8.2
242.12471	1.0
251.07051	3.6
252.07837	2.6
253.05005	8.6
253.12244	1.9
254.05693	1.9
254.09286	1.1
255.06519	6.3
257.05624	1.2
257.08130	13.7
257.11761	2.8
262.17410	0.7
266.05719	1.0
267.02985	1.0
267.06497	2.8
267.17462	0.9
268.03726	3.3
269.04922	0.9
269.08102	14.8
270.05313	3.2
270.08792	1.8
279.06445	2.0
280.07324	2.0
281.04501	4.3
281.08102	3.4
282.05234	10.0
282.08478	1.5
283.06021	7.2
284.06815	2.6
285.04419	1.3
285.07602	26.3
295.06137	1.5
295.09592	0.9
295.16946	30.8
296.17416	0.7
297.04269	1.3
297.07605	20.6
298.04745	17.1
298.08304	6.0
304.47092	0.8
313.07065	66.5
313.10733	78.1
313.18015	46.1
313.21359	2.4
313.27472	1.6
313.32901	0.9
314.07477	1.6
314.10913	1.3
314.18149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25925	0.6
53.03934	1.1
55.05505	1.6
57.07074	2.3
64.01265	0.8
65.03932	2.7
67.05508	6.9
68.62180	0.6
69.07064	2.0
69.28271	4.5
69.28684	1.2
79.05499	4.9
81.07062	3.0
83.08632	0.9
85.06558	3.7
89.12241	0.6
91.05484	100.0
93.07029	2.2
95.04942	1.9
95.08616	4.6
103.05460	2.4
105.03417	0.7
105.07034	61.1
106.07409	1.1
107.04958	1.2
109.10146	1.4
111.04426	0.8
111.08078	0.7
115.05476	1.3
117.07000	3.7
119.04943	1.3
119.08591	1.1
121.02936	0.9
121.06501	3.0
123.04496	0.8
128.06198	1.3
129.06992	2.0
131.08580	0.9
133.06458	1.0
135.04419	1.8
135.08066	1.3
137.05986	9.2
141.07005	2.5
142.07719	0.8
143.08557	1.4
145.06479	0.7
145.10118	1.3
147.04512	1.1
147.08040	1.1
147.11752	0.7
148.05186	1.9
149.06004	3.2
150.06763	1.0
151.03888	2.4
154.45471	0.7
155.08554	1.3
156.05745	0.9
157.06474	0.7
157.10136	0.9
158.07257	1.5
161.05992	3.8
163.03920	1.3
163.07559	2.9
165.06978	0.9
166.07777	2.1
169.06511	1.3
170.07346	0.7
171.04443	0.9
171.08012	1.6
173.09604	1.1
175.07568	3.2
178.07806	1.3
180.09341	1.0
181.06476	0.9
181.10130	6.2
183.11739	0.9
184.05235	2.1
185.05942	0.9
185.09718	1.0
186.06790	1.1
187.07578	1.1
188.08368	0.9
189.05359	0.8
189.09119	2.3
191.08566	0.7
193.10118	1.0
195.11717	0.8
197.05992	1.1
198.06853	2.0
199.07550	2.0
201.05434	1.2
201.09172	1.1
202.09906	1.3
203.07103	0.8
203.10663	4.5
208.08861	0.7
209.06053	1.1
209.09578	1.2
211.07620	1.5
212.04732	3.3
213.09102	2.6
214.06285	7.6
217.12260	2.4
221.79973	0.7
223.11102	0.8
225.05475	3.6
225.12724	1.4
226.06285	1.2
226.09900	1.8
227.07042	2.3
227.10614	1.5
227.49388	0.7
229.08549	2.2
229.12291	1.5
238.02739	0.7
239.07050	0.8
239.10651	1.0
240.04242	4.2
241.12242	92.8
242.05676	4.1
242.12531	1.2
251.07024	2.9
252.07893	1.4
253.04938	8.6
253.08621	0.7
253.12273	2.5
254.05798	0.7
255.06442	3.4
256.07306	0.8
257.08090	9.2
257.11694	2.2
267.06583	1.8
267.17398	1.2
268.03680	3.4
269.08072	10.1
270.05203	2.1
270.08591	0.7
279.06479	2.4
280.07285	2.0
281.04449	2.2
281.08066	2.9
282.05292	6.5
282.08316	1.1
283.06009	6.6
284.06775	2.8
285.07608	15.9
295.06027	1.0
295.16956	31.8
297.07590	17.0
298.04733	11.5
298.08362	5.4
313.07050	48.8
313.10724	62.9
313.17999	44.7
313.21262	1.5
313.27469	1.3
314.07327	1.9
314.10977	1.4
314.18454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1285
Annotation	Triandrin
Peak:m/z	Relative Intensity
53.03941	4.1
55.01871	6.7
55.05519	6.6
56.11230	3.1
56.96569	2.3
57.03440	27.9
59.05002	4.1
67.05505	15.0
69.03424	17.9
69.07070	6.5
70.06604	5.7
70.68906	7.0
71.04993	4.1
72.08168	5.1
77.03901	2.1
78.25878	2.1
79.05492	38.9
81.03415	10.5
81.07058	12.9
82.06573	2.5
83.04979	8.7
84.08142	7.5
85.02916	17.1
85.06509	3.6
86.09699	4.8
91.05482	27.0
93.03395	5.5
93.07047	37.0
94.06560	3.4
95.04971	23.0
95.08614	31.8
97.02900	9.5
97.06558	4.5
97.10161	3.0
98.97588	6.0
99.04450	21.1
105.07034	34.5
107.04973	21.3
107.08600	35.7
109.02868	12.5
109.06519	8.7
109.10201	2.6
111.04440	9.7
111.08063	9.6
115.03943	3.2
115.05454	4.2
117.06977	14.2
119.04957	3.5
119.08566	14.0
121.06521	11.9
121.10159	5.3
122.05998	4.0
123.08061	23.9
125.09625	12.0
127.03912	16.5
128.06229	4.4
129.06979	9.8
130.06544	3.5
131.08569	19.7
133.06505	35.9
133.10127	3.4
135.08052	58.9
136.06201	3.1
137.02350	2.9
137.05942	4.6
137.09612	4.6
138.09132	6.1
140.07086	7.1
141.07011	4.5
143.08553	9.0
145.06473	4.7
145.07587	3.1
145.10127	10.7
147.08043	19.8
149.05939	6.6
149.09647	12.1
151.03928	18.4
151.07579	12.3
153.09105	20.0
157.07637	9.1
157.10158	5.1
158.99666	3.1
159.08054	7.0
159.11685	5.7
161.06020	4.6
161.09633	8.8
163.07565	12.9
163.11264	3.6
167.07036	7.3
169.08487	2.5
169.09929	8.0
171.08037	5.0
173.09570	13.2
175.07626	12.0
177.09128	6.0
179.07014	16.7
179.08386	2.5
181.04945	8.1
185.08101	6.1
185.09665	5.4
187.11154	7.9
189.09137	4.3
191.07031	3.9
191.10704	6.0
193.08626	6.3
203.10789	4.6
205.08578	7.3
213.09082	3.5
215.10617	6.9
217.08595	3.9
223.09596	4.4
231.10187	12.1
233.11649	11.7
235.09647	12.4
249.11229	14.2
251.12785	19.7
253.10707	10.2
259.09677	5.2
265.10788	5.8
277.10791	9.7
283.11563	2.7
295.11737	100.0
298.04736	3.9
313.07346	32.0
313.13138	45.0
313.16553	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	313.107
Annotation	Baicalein 5,6,7-trimethyl ether
Peak:m/z	Relative Intensity
69.58128	2.9
79.01881	0.5
107.01308	0.6
119.04954	0.8
121.06514	1.0
133.02782	0.5
145.02809	0.5
148.05241	2.2
150.03133	0.4
151.03932	4.9
153.06979	0.5
176.04700	2.6
177.05453	1.0
181.04985	3.5
181.06413	0.5
186.82315	0.4
197.06018	0.8
199.07533	0.5
208.05276	0.7
209.05998	0.7
210.06746	0.6
211.07550	1.2
213.09102	2.3
224.08336	1.1
226.06284	0.6
227.07056	1.5
236.04671	0.9
237.05481	1.1
239.06973	1.1
240.07784	0.6
241.08601	1.7
251.07047	14.4
252.07860	5.1
253.08423	0.8
254.05664	0.6
255.06523	1.7
257.11823	2.7
265.04919	0.9
267.06503	1.6
269.08124	16.3
270.08762	0.9
279.06512	7.3
280.07330	7.9
281.07956	3.0
283.06088	3.3
297.07602	31.5
298.08289	4.9
313.10712	100.0
314.11029	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1071
Annotation	5,6,3'-Trimethoxyflavone
Peak:m/z	Relative Intensity
69.93680	0.8
79.05503	0.3
91.05490	0.6
95.05014	0.3
98.20793	0.2
99.59620	0.2
105.03397	0.3
105.07006	0.3
109.06543	0.3
121.06512	11.8
122.03652	0.4
128.99863	0.2
133.02858	5.3
135.08040	0.3
137.06001	1.6
148.05196	30.6
149.05508	0.2
151.03912	2.5
161.06001	0.5
163.07491	0.3
165.05588	0.2
165.06969	0.2
168.04306	0.5
177.05479	1.3
199.07596	0.4
210.06752	0.5
211.07565	0.5
213.05431	0.2
214.06154	0.2
225.09190	0.2
226.09831	0.2
227.07031	2.6
238.06236	1.9
239.07079	0.6
240.04121	0.3
241.08586	0.9
242.09326	0.3
243.10049	0.3
251.07018	0.5
253.08479	0.4
255.06531	5.5
257.11749	3.7
265.04944	0.4
266.05737	4.5
267.06577	1.2
269.08151	2.0
270.08856	2.1
280.07327	0.5
281.08096	19.7
282.05301	0.4
282.08450	0.6
283.06076	1.8
285.11105	1.4
297.07599	8.9
298.05099	0.6
298.08347	15.5
313.10687	100.0
314.11166	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0708
Annotation	2H-Pyrano(2,3,4-kl)xanthen-2-one, 10-hydroxy-5,9-dimethoxy-
Peak:m/z	Relative Intensity
55.01857	0.8
56.96552	1.0
57.07067	1.9
58.45089	0.7
59.68677	0.7
61.94158	0.7
63.50731	0.8
67.05510	0.9
69.07068	0.7
70.13271	3.1
79.05515	2.0
81.07056	1.6
91.05475	2.2
93.07035	1.4
95.04958	0.8
95.08616	1.3
105.07023	1.5
107.04961	1.1
109.10181	1.0
115.05479	1.8
119.08544	1.2
121.02878	1.2
121.06541	0.9
128.06206	1.2
133.10132	1.1
135.04445	4.0
137.06042	1.3
141.06944	1.2
147.04401	1.1
148.05171	2.9
151.03960	5.2
152.06277	0.9
153.07039	1.0
156.05698	1.7
157.10086	0.9
158.07283	5.7
159.11766	0.8
161.05974	2.1
163.03886	2.9
169.06445	2.5
171.04437	2.7
173.13208	0.8
175.03903	1.5
176.04710	1.1
177.05478	1.0
181.04974	1.8
181.06506	2.1
182.03632	3.3
183.04407	1.4
184.05190	2.4
185.06003	3.9
185.09608	0.9
186.06731	4.7
187.07513	0.9
190.06200	1.0
194.03600	0.9
197.06018	4.0
198.06804	3.4
199.03857	2.4
199.07591	2.5
201.05544	1.7
201.09149	1.2
203.06993	1.5
209.05980	1.8
210.03137	5.2
211.03656	1.0
211.07513	2.9
212.04657	3.4
213.05438	2.1
213.09129	2.9
214.06256	29.3
215.06940	1.4
224.08342	0.8
225.05461	12.8
225.08896	0.9
226.06198	2.1
227.03558	0.9
227.07018	5.1
229.08556	5.9
237.05531	1.9
238.02565	1.4
238.06421	0.9
239.03319	1.3
239.07103	1.8
240.04167	5.5
240.07901	1.3
241.04948	1.6
241.08589	4.3
241.11690	0.8
242.05763	17.3
243.06425	0.8
251.07072	4.4
252.07852	1.5
253.05008	23.2
253.08670	1.3
254.05659	2.4
254.09427	1.1
255.06528	8.2
257.08118	31.1
257.11581	2.8
266.02081	1.0
267.02844	2.2
267.06482	2.8
268.03577	3.9
269.04895	1.3
269.08093	18.5
270.05209	3.3
270.08707	2.1
279.06589	2.0
280.07196	2.4
281.04428	17.3
281.07971	4.7
282.05261	24.7
282.08533	1.5
283.05966	10.6
284.06781	2.6
285.07599	65.8
295.06262	1.0
295.09573	1.3
297.04251	0.9
297.07562	22.6
298.04703	24.2
298.08292	8.3
313.07025	91.1
313.10696	100.0
313.17136	6.2
313.21472	2.0
314.07495	1.5
314.11139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0708
Annotation	(6aR,11aS)-(3,4:8,9)-Bis(methylenedioxy)pterocarpan
Peak:m/z	Relative Intensity
57.07075	0.6
67.05491	0.4
69.03436	0.4
70.04190	1.2
73.45151	0.3
81.07056	0.4
81.48239	0.3
85.65689	0.3
86.81754	0.3
89.03941	1.1
90.04693	0.5
91.05495	0.8
93.07053	0.5
98.97567	0.3
105.07018	0.7
107.04965	0.3
117.03377	0.4
118.04216	0.4
121.06496	0.5
125.02338	0.4
128.06235	0.7
129.03384	0.5
139.05487	0.7
140.23645	0.3
145.10135	0.3
148.05139	0.8
151.03949	0.6
155.04874	0.4
156.05701	0.6
157.02878	3.8
161.05992	0.7
163.03918	0.9
167.03511	0.6
167.04977	1.1
168.05705	1.3
169.06532	0.4
171.04539	0.6
171.08012	0.7
175.03928	1.8
177.05385	0.6
181.06491	0.5
184.05203	1.9
185.06068	0.4
186.06927	0.3
189.05499	0.4
195.04433	0.9
196.05080	0.4
197.05940	0.5
199.07536	2.8
209.06010	0.5
211.07555	1.3
212.04694	6.8
213.05452	0.5
213.09067	0.9
214.06325	0.8
224.04495	0.4
225.05429	0.7
226.06279	0.7
227.07054	6.8
237.05406	0.5
239.07043	1.3
240.04181	10.2
240.07903	0.4
241.04749	0.3
241.08615	1.1
242.05763	1.1
251.07159	1.6
252.07843	0.8
252.77925	0.3
253.04881	0.9
254.05815	0.6
255.06534	33.0
257.08231	2.1
257.11707	1.5
262.93076	0.4
267.06561	1.4
268.03720	3.7
269.08066	5.7
270.05252	1.3
270.08862	0.6
279.06570	0.7
280.07205	1.0
281.04892	0.4
281.08069	1.7
283.06024	25.9
284.06699	1.0
285.07480	1.3
285.11429	0.3
297.04266	0.7
297.07553	7.8
298.04758	4.4
298.08359	2.9
313.07047	100.0
313.10684	35.1
314.07324	1.3
334.85263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0708
Annotation	Wairol
Peak:m/z	Relative Intensity
51.26832	0.5
59.79170	0.4
69.32748	1.7
69.33181	2.3
69.70985	0.4
71.11053	0.4
80.96828	0.5
98.21495	0.6
107.04928	1.1
125.75482	0.4
133.02882	0.6
137.02312	1.2
151.03896	0.9
152.33589	0.4
161.02341	3.0
162.03139	48.4
163.03722	0.5
184.05222	2.7
185.06010	0.4
189.01837	0.6
196.05261	0.6
200.04742	1.2
211.03893	0.6
212.04688	8.6
213.05443	0.9
224.04672	3.9
228.04114	1.3
240.04175	9.2
241.04924	0.8
247.54880	0.5
253.05103	0.6
255.06598	6.6
268.03714	4.1
269.04388	1.1
270.05264	0.9
277.31024	0.5
281.01303	0.8
281.04468	19.1
283.05988	5.0
297.03979	2.9
298.04745	44.7
299.05078	0.7
313.07077	100.0
314.07440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0703
Annotation	Acicerone
Peak:m/z	Relative Intensity
55.05496	0.2
57.03410	0.3
57.07039	0.2
67.05489	0.4
69.07043	0.4
70.68584	0.4
79.05476	0.3
81.07032	0.7
85.06537	0.2
89.03905	0.3
91.05464	0.4
93.07025	0.3
95.08586	0.5
98.09662	0.2
98.97574	0.2
102.92866	0.1
105.06995	0.3
107.08587	0.2
109.10179	0.2
117.03362	0.2
118.04145	0.2
119.04960	0.2
119.08578	0.4
121.02880	0.3
121.06454	0.2
121.10097	0.3
123.00787	0.4
123.11645	0.2
128.06229	2.7
129.07025	0.2
131.04887	0.3
131.08557	0.2
133.02843	0.3
133.10158	0.2
135.04420	0.3
137.02373	0.3
137.05962	0.2
139.05426	1.1
141.06981	0.4
145.02827	0.7
146.03671	0.2
148.05110	0.2
149.02347	0.3
151.00255	0.3
151.03871	0.3
152.01054	0.3
153.01726	0.2
153.06958	0.3
153.17349	0.2
155.04910	0.7
156.04529	0.2
156.05711	3.3
157.06477	0.4
161.05983	0.2
162.03104	0.2
163.03986	0.2
167.03487	0.4
167.04913	0.7
168.05673	0.2
169.06531	0.2
171.04451	0.2
175.03906	0.6
181.06474	0.5
183.04425	1.1
184.05211	6.1
185.02425	0.2
195.04407	1.3
196.05170	0.3
197.06004	1.0
198.14835	0.3
199.03894	0.3
199.07578	0.3
201.05569	0.2
209.05930	0.3
211.03934	0.7
211.07469	0.2
212.04697	11.3
213.05275	0.4
214.06328	0.3
223.03946	0.6
224.04695	0.4
225.05443	0.8
227.03447	0.3
227.07048	0.5
229.05029	0.2
237.05424	0.3
239.03519	0.3
239.06908	0.2
240.04181	17.1
241.04753	0.5
242.05721	0.5
251.03387	0.4
252.07652	0.3
253.04953	2.6
254.05724	0.2
255.02928	0.7
255.06546	4.4
255.09206	0.2
257.08084	1.0
267.06424	0.9
268.03683	13.9
269.04349	0.7
270.05167	1.5
281.04446	0.3
281.08182	0.2
283.02432	1.7
283.06018	5.7
284.06873	1.0
285.04517	0.2
285.07434	0.8
295.06171	0.4
297.03949	1.6
298.04733	43.3
299.05063	0.5
313.07068	100.0
314.07434	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0705
Annotation	Acicerone
Peak:m/z	Relative Intensity
55.98757	0.1
59.31343	0.1
68.99472	0.1
68.99799	1.1
69.21722	0.4
69.22150	0.6
75.21373	0.1
81.07047	0.2
85.02900	0.1
89.03929	0.4
98.21503	0.2
100.66067	0.1
108.02079	0.1
109.10184	0.1
111.04434	0.3
115.05503	0.1
117.03389	0.2
118.14857	0.1
121.02872	0.1
123.00754	0.1
128.06227	0.7
129.06998	0.1
133.02888	0.1
135.04402	0.2
138.03166	0.1
139.03868	0.5
139.05437	1.1
141.06981	0.1
142.04164	0.1
143.04913	0.3
144.05699	1.0
145.02849	0.4
145.06508	0.1
146.02631	0.1
146.03629	0.6
147.04401	0.3
151.03938	0.2
152.01080	0.1
153.06996	0.1
155.04947	0.9
155.06042	0.2
155.08687	0.1
156.05708	0.6
157.06543	0.1
159.08052	0.2
161.02460	0.2
162.03122	0.3
163.03935	0.2
167.03497	0.2
167.04924	2.6
168.05682	0.2
169.06479	0.2
170.03658	1.1
171.04449	1.1
171.08084	0.2
172.05194	0.2
181.06499	0.1
183.04471	0.1
184.05235	2.1
185.05963	0.2
186.06792	0.5
187.07547	0.5
189.01831	0.1
190.02643	0.3
195.04434	2.2
196.05200	0.4
197.06017	0.4
199.03947	0.2
199.07568	0.8
209.06067	0.1
212.04700	6.1
213.05389	0.4
214.06226	0.2
223.03928	1.0
224.04642	0.1
225.05518	0.7
227.07056	2.3
229.08719	0.1
240.04190	13.9
241.04785	0.4
242.05785	0.8
251.03508	0.4
253.04973	2.1
254.05815	0.3
255.06544	13.1
256.07117	0.2
257.08099	2.2
267.06390	0.2
268.03693	9.0
269.04352	0.3
270.05258	2.8
271.05722	0.1
281.04590	0.2
282.05103	0.2
283.06046	13.0
284.06842	0.5
285.07562	0.5
297.04062	0.1
298.01141	0.1
298.04739	8.3
313.07074	100.0
314.07449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.07
Annotation	Acicerone
Peak:m/z	Relative Intensity
57.11887	0.1
62.79759	0.1
68.99798	0.9
70.91933	0.1
70.93105	0.4
89.03938	0.4
90.69227	0.2
103.05444	0.2
111.04449	0.4
115.05464	0.2
116.06253	0.2
128.06221	0.6
135.04427	0.2
139.03932	0.3
139.05418	1.1
143.04930	0.4
144.05750	1.1
145.02875	0.6
146.03630	0.6
147.04475	0.2
151.03922	0.3
153.06998	0.2
155.04945	1.1
155.05969	0.2
156.05716	0.9
159.08008	0.3
162.03130	0.3
163.03915	0.2
167.04921	2.8
168.05743	0.2
170.03648	1.1
171.04433	1.1
171.08153	0.3
181.06555	0.3
184.05200	2.2
185.06024	0.4
186.06821	0.4
187.07535	0.5
190.02556	0.2
195.04420	2.0
196.05200	0.5
197.06033	0.4
199.07553	1.1
212.04695	6.8
213.05408	0.4
214.06181	0.3
216.84695	0.2
223.03928	1.1
224.04628	0.2
225.05434	0.5
225.40720	0.2
226.06314	0.2
227.07065	2.2
240.04193	14.5
241.04872	0.4
242.05644	0.8
251.03418	0.4
253.04990	2.6
254.05605	0.3
255.06540	12.8
256.06839	0.3
257.08096	2.9
267.06506	0.2
268.03696	8.6
270.05243	2.5
283.06042	13.3
284.06650	0.3
285.07376	0.2
296.27124	0.2
298.04739	9.0
313.07068	100.0
314.07394	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0705
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
53.03931	0.2
55.01864	0.1
55.05520	0.1
57.03420	0.1
59.22824	0.1
65.03945	1.1
66.64108	0.1
67.01852	0.3
68.99782	0.7
69.03403	0.1
69.59210	0.2
69.59634	0.3
77.03921	0.2
81.02970	0.1
81.03422	1.5
83.01320	0.2
84.56625	0.1
85.02908	1.1
88.79292	0.1
91.05482	0.5
93.03412	0.9
95.04969	0.2
97.02869	0.1
99.04475	0.1
105.03384	0.3
107.01302	0.2
107.04938	0.1
109.02882	1.2
110.03667	0.1
111.00795	0.1
111.04420	0.1
118.04164	0.1
119.04949	2.0
120.05666	0.1
120.07339	0.1
120.08111	1.2
121.02875	6.8
123.04450	0.1
124.01635	0.1
125.02367	0.4
127.03836	0.1
131.04967	0.2
133.02870	0.5
134.03625	0.1
135.00793	0.1
138.03075	0.6
139.03880	0.1
141.01852	0.1
141.07011	0.1
145.01733	0.1
145.02853	2.5
145.06453	0.1
147.04344	0.2
149.02347	5.2
151.03947	0.2
152.01060	0.2
153.01846	1.1
153.07132	0.1
157.06424	0.1
163.03900	1.0
165.01857	1.5
165.07024	0.3
166.02594	0.8
167.03413	5.5
169.06488	0.1
170.02190	0.1
173.05952	0.2
177.01840	3.1
177.07022	0.1
181.06390	0.2
183.02831	0.2
183.08034	0.3
184.03659	0.3
187.03899	0.3
187.07664	0.1
193.06393	0.1
193.46968	0.1
195.02907	3.4
197.06000	0.2
199.07616	0.2
200.04639	0.1
200.08379	0.1
202.06258	0.2
210.06795	0.1
211.07504	0.4
213.05441	0.2
215.07036	0.3
221.05879	0.2
225.05328	0.1
227.07098	0.5
228.07846	0.3
229.04977	2.1
237.05289	0.1
239.07048	2.1
241.04874	0.2
241.08679	0.2
242.05727	1.0
243.06410	0.1
247.06122	0.2
253.04930	0.2
255.06532	1.8
256.07324	1.9
257.08023	0.2
266.05731	0.2
267.06534	12.6
268.06976	0.3
269.04480	0.8
269.08844	0.5
270.05237	4.6
283.06024	11.6
284.06799	15.6
285.07507	1.5
295.06021	8.3
296.06314	0.1
298.04642	0.1
313.07059	100.0
314.07434	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0706
Annotation	Acicerone
Peak:m/z	Relative Intensity
64.81602	0.4
68.99780	0.8
71.09097	0.8
73.86714	0.3
101.46400	0.4
128.06291	0.6
139.03906	0.6
139.05438	0.7
144.05725	1.3
146.03635	0.6
155.04900	1.0
156.05688	0.5
165.78862	0.5
167.04988	2.3
168.05612	0.5
170.03644	0.9
171.04439	1.1
184.05208	1.7
185.06068	0.6
186.06767	0.5
195.04420	1.9
196.05286	0.4
199.07603	1.1
212.04704	5.9
223.03903	1.2
225.05443	0.6
227.07109	1.8
240.04181	11.2
242.05756	0.6
253.05017	1.9
255.06552	11.0
257.08121	2.8
268.03705	7.6
269.04440	0.6
269.08243	0.5
270.05237	3.2
283.06021	11.8
297.07718	1.3
298.04794	8.1
298.08072	0.5
313.07089	100.0
313.10519	6.0
314.07410	1.0
325.48615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0707
Annotation	Irisolone
Peak:m/z	Relative Intensity
55.01884	0.7
63.58974	0.3
67.05495	0.7
69.07073	0.5
69.35053	2.3
79.05499	0.3
79.63062	0.3
81.07075	0.9
83.08626	0.4
83.96996	0.3
91.05467	0.6
93.07049	0.5
93.16570	0.3
95.04984	1.6
95.08611	0.8
97.57395	0.3
99.08066	0.4
101.94186	0.3
105.03409	1.1
105.07063	0.7
107.08602	0.9
108.02124	0.6
109.10156	0.6
115.05453	0.3
119.04990	0.4
119.08570	0.6
121.02870	0.3
121.10202	0.3
128.06215	0.6
129.58679	0.3
131.08606	0.4
133.02823	1.7
133.10114	0.5
135.04456	1.3
137.02371	0.7
141.07001	0.3
143.04886	0.3
145.10217	0.5
147.11821	0.4
149.02390	0.5
151.03918	14.6
153.01860	0.5
156.05684	0.4
161.02403	0.4
161.06000	0.5
161.13306	0.5
162.03146	1.1
163.03934	0.7
167.04976	0.5
168.05742	1.5
169.06511	0.7
171.04419	0.4
171.08052	1.5
175.03981	1.3
181.06569	0.5
183.04541	0.5
184.05206	4.1
185.05966	0.7
186.06790	1.0
187.07610	0.8
189.01854	1.2
190.02673	0.7
194.03764	0.3
195.04436	0.5
196.05209	0.8
197.06071	0.9
198.06827	0.5
199.03874	0.5
199.07579	1.9
201.05513	0.8
201.09091	0.5
209.06093	0.8
211.07527	1.7
212.04704	6.1
212.06602	0.5
213.05540	2.0
213.09088	0.4
214.06242	3.6
215.07034	1.8
221.04570	0.7
224.04689	0.5
225.05528	1.3
226.06261	0.4
227.07039	24.3
228.07544	0.5
228.95468	0.3
229.08669	0.6
239.07138	1.2
240.04198	3.2
241.05055	2.1
241.08603	0.6
242.05772	3.1
252.07741	0.3
253.04970	4.5
254.05798	0.7
255.06546	19.9
257.08078	3.9
267.02844	0.5
267.06607	1.1
268.03662	2.6
269.04590	0.7
269.08182	3.0
270.05350	2.0
281.04453	1.2
281.08054	0.6
282.05331	1.0
283.06015	7.2
283.09021	0.5
284.06839	1.5
285.07590	7.0
285.10626	0.5
295.06088	0.9
297.07599	8.2
298.04813	7.1
298.08362	1.8
313.07159	100.0
313.10751	17.7
313.25381	1.0
314.07535	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	313.0705
Annotation	Acicerone
Peak:m/z	Relative Intensity
50.36934	0.5
51.11712	0.5
52.10761	0.4
56.47601	0.5
56.75168	0.5
72.79162	0.5
118.04189	0.5
128.06244	3.1
139.05431	1.0
141.06941	0.6
155.04950	0.9
156.05756	3.3
167.04950	1.1
175.03932	0.7
182.40303	0.5
183.04408	2.0
184.05219	6.0
195.04462	1.1
197.06001	0.9
212.04703	9.9
225.05562	0.9
227.06985	1.0
240.04192	14.9
241.04842	0.8
242.05725	0.6
253.04939	3.4
255.06537	4.5
257.08167	1.2
268.03696	14.4
269.08102	1.6
270.05341	1.4
281.04459	0.7
281.08145	0.9
283.06064	4.6
297.07568	2.4
298.04752	37.1
298.08023	1.5
299.05319	0.6
313.07120	100.0
313.10666	10.8
314.07455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0707
Annotation	Wairol
Peak:m/z	Relative Intensity
50.19755	0.5
50.71659	0.5
56.96579	4.3
63.40317	0.5
67.05507	1.2
69.07088	0.6
70.60510	1.6
78.00069	0.5
78.99238	0.5
79.05463	0.8
91.05482	6.6
93.07077	0.6
95.05035	0.9
95.08623	0.7
98.20785	0.6
102.04675	0.8
105.03427	0.8
107.04987	0.8
115.05463	0.6
118.04256	0.6
119.04945	0.7
121.06543	0.6
128.06262	0.9
130.04149	0.7
131.01334	0.7
131.04948	1.5
133.06467	0.6
135.04433	1.4
141.07056	0.6
146.03670	1.0
147.04402	2.7
151.03946	3.7
158.07281	1.1
160.39632	0.6
160.99084	0.9
161.05995	2.0
162.06770	2.9
163.11339	0.6
165.99382	0.9
166.07750	0.5
169.06535	3.8
171.04381	0.8
171.08099	0.7
172.05255	0.5
179.00153	3.4
180.00505	0.6
181.06644	0.8
182.03717	0.6
183.04636	0.6
184.00471	0.5
184.05225	1.9
186.06802	2.1
189.05510	1.5
194.03629	0.9
195.04352	0.6
195.08176	0.7
197.01247	3.8
197.06009	3.9
198.06786	1.5
199.03909	1.8
199.07602	0.6
200.04811	1.6
201.05521	1.8
204.00937	0.8
209.05997	2.1
209.09544	0.6
210.03246	1.2
211.07556	1.0
212.04691	2.3
213.05464	0.5
213.09161	1.1
214.06274	8.9
215.06963	0.9
221.01231	1.0
222.01993	1.3
224.04477	0.7
224.09589	0.5
225.05394	3.7
225.97948	1.0
226.06302	1.3
227.03419	1.1
227.07034	4.3
229.04965	0.7
229.08633	0.7
237.00772	0.9
237.05301	0.8
238.02647	1.7
238.06235	0.5
239.07089	1.8
240.04259	3.6
240.07910	1.4
241.05026	2.1
241.08609	1.2
242.05771	16.4
243.53508	1.6
243.98834	0.7
251.04672	2.1
251.06982	0.7
251.54794	0.9
252.53978	0.8
253.05003	14.0
254.05626	1.7
255.06575	6.6
256.07010	0.8
257.08087	4.8
257.12268	0.6
260.05212	4.7
260.55383	1.2
261.54535	3.5
264.04898	0.7
266.02155	0.6
267.06882	1.0
267.10193	8.5
268.03659	2.1
268.07065	0.9
269.05582	9.0
269.08194	8.0
269.55850	4.2
270.05325	5.1
270.08459	1.1
270.55057	1.1
271.56024	1.0
278.06274	4.4
278.56390	1.4
279.03000	0.6
280.56567	1.9
281.04468	20.8
281.07687	1.3
282.05219	1.6
283.06036	4.0
284.06778	2.5
285.07596	14.0
289.57150	1.4
295.06223	0.9
295.09741	1.1
297.07590	4.2
298.04752	17.2
298.08118	1.5
313.07086	100.0
313.10712	19.9
314.07651	1.3
328.14297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.05519	1.1
56.96556	1.5
57.03444	1.9
58.06603	1.3
58.99566	0.9
61.02934	2.8
65.03941	2.1
67.05505	1.1
69.03442	11.0
69.07074	13.5
70.06592	5.3
71.04993	1.4
71.57097	1.4
72.08155	6.7
73.02926	1.5
73.06563	2.1
80.05045	1.3
80.69087	0.8
81.03431	7.1
81.07079	1.0
82.06588	1.9
83.05025	1.2
84.08153	8.1
85.02914	17.0
85.08962	2.3
86.09722	4.3
87.08103	2.0
88.03986	1.3
91.05519	2.1
92.04951	0.8
92.05827	1.0
93.07048	2.1
94.06565	1.2
95.05006	1.1
97.02904	8.0
97.06539	2.9
98.06062	1.4
98.09714	1.6
99.04477	3.0
102.05561	1.2
105.07083	1.0
106.40064	0.9
107.05006	1.1
107.08614	1.6
108.08156	0.8
109.02926	4.8
110.06062	2.1
112.07623	1.4
115.03978	0.9
115.07590	6.8
116.10733	1.7
117.05792	2.6
118.06549	0.9
120.08141	2.0
121.07623	6.6
122.06026	1.5
124.03962	5.4
124.07574	1.7
127.03936	5.2
131.08620	1.4
132.08104	11.5
133.08626	1.9
133.10188	0.9
134.06023	1.5
136.07573	1.0
137.05986	1.2
138.05510	1.7
139.05785	1.4
140.07060	8.6
141.07388	1.1
145.04974	7.9
146.09674	1.4
147.04427	1.4
147.09186	7.2
148.07588	1.6
149.07109	23.7
150.05551	1.9
151.03903	2.2
152.07072	1.8
158.10942	0.9
161.10732	1.3
162.05536	4.1
162.12767	1.0
163.03923	1.1
163.05992	2.4
166.05016	6.9
167.07060	2.5
168.06554	10.8
173.13271	1.8
175.08687	74.4
176.03494	3.8
177.06609	9.9
188.07166	1.1
189.10287	11.8
190.05132	0.9
191.14404	1.1
192.06592	1.0
195.07735	2.6
207.12114	1.0
208.09761	2.6
216.06641	1.1
217.09738	74.2
218.10103	1.2
225.13139	1.2
228.28941	0.9
231.11461	1.0
234.07637	1.6
234.16258	0.9
235.10797	100.0
249.12355	2.0
262.15689	3.5
267.13461	8.5
276.08795	1.2
276.12000	1.0
280.16583	46.6
294.09814	2.1
295.12549	0.9
295.16537	1.7
312.10934	2.1
312.16052	4.4
312.19257	36.0
313.07104	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	311.2945
Annotation	omega-Cycloheptyltridecanoic acid
Peak:m/z	Relative Intensity
55.05511	27.7
55.54075	1.8
57.07087	14.5
66.14877	1.9
67.05507	34.0
69.07069	60.5
71.08625	6.1
78.45908	2.1
79.05492	9.8
81.07062	81.2
83.08627	25.2
85.06541	19.9
91.05491	5.1
93.07056	14.6
95.08611	100.0
97.10188	18.9
98.97596	3.2
99.08107	10.3
105.07049	4.2
107.08601	14.8
109.10161	49.0
111.08092	5.2
111.11713	13.9
121.10147	8.5
123.11717	21.5
125.09556	3.1
125.13250	5.4
133.10185	2.3
135.11687	7.9
137.13243	13.8
143.08600	2.3
145.10132	4.7
149.13313	16.8
151.14783	13.7
159.11713	2.3
163.14838	6.9
165.16415	4.5
166.77243	2.6
179.18018	3.1
249.25792	3.1
275.27393	6.5
293.21252	2.5
293.28363	10.2
311.05527	3.3
311.12704	2.6
311.20090	2.3
311.29422	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2947
Annotation	omega-Cycloheptyltridecanoic acid
Peak:m/z	Relative Intensity
53.33158	2.0
55.01870	2.9
55.05513	30.2
56.96567	2.7
57.07080	20.1
59.05005	2.3
67.05513	41.0
69.03426	1.9
69.07073	61.9
70.17654	6.0
70.18008	3.3
71.04984	1.7
71.08624	5.5
74.29588	2.1
79.01824	1.9
79.05496	12.5
81.07062	90.9
83.05015	2.1
83.08627	32.3
85.06551	19.7
86.29839	1.9
88.52531	1.7
91.05471	7.4
93.07059	18.1
95.08613	100.0
97.06525	6.0
97.10176	21.3
98.21403	1.9
99.08089	11.1
103.03894	1.9
105.04497	2.0
105.07044	7.5
107.08603	20.3
109.10160	58.7
111.08078	4.4
111.11729	13.1
115.61605	2.0
119.08573	2.2
121.10152	10.7
123.11700	25.1
125.09583	2.1
125.13266	3.3
127.11196	3.0
133.10129	2.1
135.11737	10.5
137.13278	13.0
139.11195	4.2
141.09103	1.9
143.14307	2.2
145.10147	3.3
149.13278	14.9
151.14839	11.5
155.10739	2.3
163.14859	7.3
165.16440	6.4
169.06444	2.0
177.16434	2.6
179.17969	4.3
197.06059	2.4
204.85609	1.9
205.19417	2.4
219.21049	2.4
249.25792	2.4
253.05067	9.1
275.20239	2.1
275.27298	5.7
281.04453	5.5
283.05923	12.8
293.21255	4.6
293.28329	11.6
296.03342	2.5
311.05487	20.4
311.09039	4.8
311.12680	2.6
311.29526	23.5
312.06094	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	311.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.1
55.05513	31.4
56.96568	2.1
57.03425	3.1
57.07079	16.3
65.03944	1.4
67.05167	2.3
67.05512	42.6
69.03431	2.9
69.07072	67.0
71.04995	4.2
71.08624	13.0
71.58088	2.6
79.05497	17.2
81.03434	2.4
81.07060	95.3
83.04987	4.0
83.08622	31.1
84.08154	2.0
85.02921	1.4
85.06544	17.4
85.10178	2.3
91.05480	12.5
93.07053	19.4
95.04955	4.3
95.08611	100.0
96.08975	1.6
97.06545	7.8
97.10170	20.0
98.97588	2.8
99.08097	13.8
105.07056	8.9
107.08601	19.3
109.06527	5.6
109.09449	3.2
109.10162	54.4
111.08099	5.4
111.11723	14.9
117.07018	2.0
119.08610	7.1
121.06503	3.2
121.10150	12.1
123.08103	1.9
123.11723	27.7
125.09669	4.4
125.13289	4.8
127.11195	4.0
128.06168	2.1
129.06989	1.8
130.65393	1.4
131.08556	5.7
133.10138	8.8
135.08092	4.0
135.11699	12.5
135.13374	1.8
137.06013	13.2
137.13254	9.5
139.14821	1.9
141.12801	8.0
143.08549	2.5
143.14392	1.4
145.10120	4.6
146.28151	1.6
147.11708	2.7
149.09680	2.2
149.13263	18.3
151.14827	10.8
153.12825	2.0
155.07080	1.7
157.10106	2.8
159.11691	5.0
160.36365	1.4
161.09613	5.0
161.40140	1.5
163.11246	1.6
163.14751	7.6
165.09119	1.6
165.16386	6.3
167.14325	2.0
169.10066	3.1
169.12244	1.7
171.11725	2.5
171.56984	1.5
173.13321	2.1
177.05415	2.2
177.16386	3.0
179.07016	1.5
179.08516	1.9
179.10672	4.4
179.17946	2.0
183.11604	1.4
187.07614	1.8
187.11110	1.4
187.14818	1.8
191.08536	2.1
191.18069	1.6
193.19568	1.7
197.13319	2.0
201.12720	1.7
201.16476	1.6
209.05920	2.3
209.13367	2.2
211.14803	1.6
213.05466	1.4
219.08069	2.4
219.21149	2.1
229.15900	1.7
249.25870	2.5
251.16464	4.4
257.19012	2.6
267.06561	3.2
268.07516	1.6
275.16537	3.2
275.20081	7.3
275.27405	5.1
283.06030	10.5
283.09213	2.2
293.21298	3.3
293.28299	8.1
296.03140	1.9
311.05484	8.0
311.09140	21.4
311.12793	4.3
311.16293	2.9
311.20016	2.5
311.23990	3.1
311.29416	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	15.7
55.05514	29.0
57.07080	9.7
58.16926	4.9
60.70071	5.6
67.05505	54.5
69.07076	43.3
71.05003	8.2
71.08275	7.9
71.08640	100.0
71.09000	10.3
71.58691	7.1
78.51934	5.4
79.05505	32.9
81.07059	88.9
83.04981	14.1
83.08639	23.7
85.06551	5.7
91.05486	61.8
93.07059	34.6
95.08610	60.0
97.06540	18.3
97.10181	8.3
99.08096	90.5
101.87922	5.3
105.07040	52.3
107.04977	7.6
107.08630	30.5
109.10165	28.6
111.04477	6.2
111.08072	7.4
117.07014	6.5
119.08585	19.3
120.01704	4.9
121.10162	27.6
123.11668	13.1
131.04929	8.2
131.08551	13.9
133.10126	12.2
135.04419	14.9
135.11731	17.5
137.13300	6.3
143.08601	5.9
145.10135	17.0
147.11694	59.3
149.02115	9.3
151.14790	6.2
153.12711	25.6
155.08676	5.3
157.10109	8.2
159.11673	12.7
161.09644	18.8
161.13272	7.1
163.11153	8.2
163.14836	13.9
165.12840	14.4
165.83029	4.7
167.14305	6.9
171.11710	6.8
173.13301	11.9
173.55804	5.0
181.15904	10.8
187.14874	10.2
191.10892	5.4
199.14699	5.9
209.11777	20.8
215.07091	23.2
223.14781	5.6
225.18211	4.8
226.06229	5.1
227.10829	8.8
235.07597	6.4
237.11256	18.4
237.75841	6.5
243.21078	20.7
251.06969	9.5
253.04953	7.5
253.08658	16.0
261.22192	18.5
267.13858	11.7
275.40582	5.2
279.06647	10.7
279.23230	68.1
281.04523	17.0
283.06137	11.6
283.09515	7.5
293.08676	5.7
293.11743	37.1
296.06808	13.9
311.05969	8.0
311.09109	86.9
311.12790	15.3
311.16559	14.6
311.20038	12.1
311.23923	17.2
311.27499	7.3
329.13831	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03950	11.9
53.42058	4.8
55.01870	11.4
55.05513	58.2
57.03437	40.9
57.07076	34.0
67.05167	5.8
67.05506	72.9
69.07073	73.8
69.69759	29.8
70.05946	4.7
71.05003	27.6
73.06549	5.5
75.23003	4.8
75.38993	4.7
79.05503	72.7
81.03398	7.5
81.07059	91.1
83.04978	19.5
83.08634	23.3
83.91084	4.8
85.06544	10.3
91.05486	60.1
93.07043	84.3
95.04968	13.6
95.08612	73.0
97.06532	31.3
97.10163	25.5
98.20762	10.5
99.08085	10.1
101.73414	4.0
104.64014	4.2
105.07026	37.2
107.08603	58.4
109.02852	6.5
109.06522	15.8
109.10168	33.9
111.04461	10.0
111.08119	26.7
111.11707	7.9
115.07573	7.2
117.06995	12.6
119.08586	33.1
121.06487	10.7
121.10151	66.1
123.08073	9.8
123.11719	8.5
125.09624	19.5
129.07011	11.4
131.08615	33.3
133.10161	29.7
135.08043	15.2
135.11705	11.6
137.06047	6.1
137.09625	13.7
139.11203	40.5
143.08614	13.2
145.10095	23.6
147.11676	20.7
149.02336	6.3
149.09654	14.5
149.13298	6.5
153.05487	10.7
157.10060	7.3
159.11729	15.9
161.13318	12.4
163.11211	12.8
169.10164	6.7
171.11659	11.3
177.05705	5.1
179.10725	6.2
181.12248	7.7
184.05298	7.0
185.13281	9.3
189.11269	8.5
191.10657	7.6
191.14302	5.5
195.13797	5.6
203.12782	38.4
209.11763	60.5
212.04669	5.2
219.17509	6.5
221.15262	12.0
223.17036	6.5
237.11206	45.5
237.18393	5.0
240.04280	11.5
247.20360	7.2
253.04832	6.7
255.06218	4.8
255.12329	10.0
257.18933	14.1
275.20047	100.0
283.06079	13.4
293.11432	6.5
293.21075	36.9
296.03177	60.6
311.05530	87.0
311.08926	9.8
311.12634	9.5
311.24655	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.24919	4.1
53.03941	6.5
53.31577	4.6
55.01867	7.6
55.05513	44.6
55.34882	4.8
56.96566	4.9
57.03426	7.8
67.05509	82.2
67.99555	5.0
69.03405	5.2
69.07085	48.7
71.08620	7.1
71.18254	6.9
79.05500	52.1
81.03442	6.9
81.07066	100.0
83.04964	7.7
83.08624	25.8
85.06535	15.0
91.05492	42.9
93.07051	57.8
95.04966	9.3
95.08611	78.9
95.09787	4.7
97.06528	21.4
97.10162	16.6
99.08083	12.1
103.05478	7.6
105.07026	51.1
107.04974	6.7
107.08594	42.4
109.06477	7.0
109.10162	47.1
111.08082	10.9
117.07039	10.8
119.08582	34.8
121.10195	23.2
123.08078	8.9
123.11699	17.8
125.09641	19.6
128.06267	5.7
129.06931	5.8
131.08566	17.3
133.10141	35.1
135.08080	8.0
135.11674	18.9
137.09593	7.3
145.10106	22.1
147.11670	18.7
149.09604	13.1
149.13304	8.9
157.10139	5.8
159.11676	16.1
161.13330	6.6
163.11186	8.2
164.75246	5.0
173.11763	6.9
173.13164	11.3
185.13194	4.6
189.11232	9.3
195.13705	6.6
235.16948	8.4
239.17955	10.0
247.20552	7.5
257.18936	14.3
275.17249	7.1
275.20105	91.4
283.05896	12.3
293.21198	24.9
309.37885	5.5
311.05466	19.5
311.09070	27.3
311.12964	12.0
311.22638	5.7
311.29498	6.6
318.62546	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	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03940	3.6
55.01862	5.0
55.05514	13.6
56.96567	1.9
57.03432	4.2
57.07071	6.2
65.03954	2.0
67.01884	1.2
67.05168	2.4
67.05509	34.1
69.03413	2.3
69.07074	10.6
70.06623	1.1
71.04989	2.8
71.14382	1.6
79.05497	19.2
81.03415	8.1
81.07061	37.1
83.05004	6.8
83.08603	4.2
85.06528	3.6
85.10173	5.1
91.05488	20.9
93.07051	18.9
93.99069	1.4
95.04963	4.7
95.08613	100.0
97.06543	7.9
97.10131	1.5
105.03371	1.6
105.07027	11.4
107.04964	2.8
107.08612	9.0
109.02881	2.5
109.06535	9.9
109.10158	11.0
111.04434	1.4
111.08009	1.4
113.09642	3.4
117.07019	4.1
119.04915	6.5
119.08588	6.5
121.02869	3.0
121.10155	6.3
123.08080	4.6
123.11749	2.6
125.09646	1.2
129.06998	2.5
131.08572	3.5
133.10115	4.8
135.04404	8.1
135.11723	5.3
141.07031	1.5
141.09119	14.3
145.10117	5.1
147.04416	16.4
147.07999	1.5
147.11670	1.3
149.02327	1.2
149.05991	1.8
149.13254	2.0
151.11224	2.4
153.05519	2.4
157.06538	1.8
157.10031	1.3
159.10179	35.8
159.11533	3.1
161.02362	3.1
161.05983	3.6
161.13284	1.2
163.03944	1.5
163.14871	2.0
165.01837	1.4
165.06915	1.8
165.12756	4.5
173.13306	1.7
175.03928	27.5
177.05492	2.8
179.08487	1.3
181.12212	1.9
185.04419	1.2
185.05983	2.7
187.03882	3.0
195.08119	1.8
195.13858	2.1
197.05925	1.5
199.03899	1.9
199.07727	1.5
201.05516	2.5
201.16383	3.1
203.03427	20.0
203.07036	28.4
204.74846	1.3
209.06013	3.3
209.09897	2.0
209.11681	8.8
211.07663	1.6
213.05481	1.9
213.08920	1.5
215.07039	1.9
219.17404	2.5
223.07617	1.8
225.05510	2.8
225.09100	2.2
225.92670	1.3
229.19501	1.4
235.07599	2.2
237.09114	3.2
237.11259	9.1
239.06996	1.7
241.08646	5.7
247.20500	2.8
249.05658	1.6
249.09068	1.7
251.10808	2.6
252.07706	1.3
253.05029	3.2
253.08601	4.7
255.10077	2.5
261.09106	6.8
263.07065	5.1
264.07910	5.9
265.08569	3.4
265.21652	65.8
267.10202	4.0
269.08121	22.6
275.20059	2.0
278.82858	1.5
279.10181	25.0
281.05331	1.5
281.08044	9.1
283.06027	7.7
283.09540	4.5
293.11774	3.4
296.03238	3.0
296.10461	2.0
311.05472	13.8
311.09106	53.5
311.12778	43.3
311.16052	1.8
311.22009	7.7
312.09454	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	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03939	6.4
53.73256	5.9
55.01876	53.9
55.05512	52.5
56.33339	5.7
56.96556	12.9
57.03438	7.9
57.07071	18.9
59.04990	6.0
67.05509	59.2
69.03422	10.5
69.07071	41.8
71.04986	28.0
71.11243	10.2
71.11593	9.3
76.28864	5.8
79.05498	62.6
81.07064	97.1
83.04987	54.0
83.08621	34.8
85.06546	8.0
85.56705	5.3
90.50909	5.2
91.05482	41.4
93.07049	54.1
93.25639	5.7
93.67872	5.4
95.04975	18.9
95.08611	64.8
95.43809	5.5
97.06528	74.2
97.10165	36.2
99.08099	6.6
105.07034	41.1
107.08595	82.3
109.06573	9.7
109.10155	31.7
110.07130	5.4
111.04423	7.1
111.08076	15.6
113.05997	20.0
115.05466	5.6
117.06989	12.1
119.08600	26.5
121.10156	22.1
123.08099	12.0
123.11693	6.8
125.06016	17.9
125.09632	99.9
130.33318	5.7
131.08589	19.3
133.10133	15.6
135.08031	6.7
135.11668	17.6
139.11198	12.6
143.08534	9.5
145.10121	20.0
147.11708	13.8
149.09654	13.5
149.13225	6.7
153.12767	23.8
157.10187	6.4
159.11673	11.4
163.11221	20.1
165.01843	8.3
167.10812	6.2
173.13226	5.9
177.12772	21.9
181.12299	11.9
187.11230	8.9
189.11214	13.0
205.12254	12.8
213.14857	5.5
223.13319	8.9
241.14258	10.7
275.20087	100.0
283.06033	40.3
293.21118	85.5
293.24252	8.6
296.03024	6.4
311.05377	40.1
311.08948	5.9
311.12546	9.7
319.58289	8.0
329.09982	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
55.01873	13.5
55.02106	2.7
55.05511	27.6
56.96562	7.3
57.03427	4.1
57.07069	13.4
59.04985	2.7
61.11944	2.5
67.05508	39.9
69.03415	5.1
69.07073	37.0
71.04982	5.2
71.08633	3.9
71.58189	4.2
79.05496	21.3
81.03413	3.2
81.07062	100.0
83.04977	9.8
83.08621	23.5
85.06552	16.0
91.05473	18.6
93.07053	20.5
95.04965	5.8
95.08607	65.6
97.06528	10.6
97.10160	12.8
98.97560	8.2
98.98450	5.8
99.08083	10.3
105.07029	16.8
107.04953	3.4
107.08600	24.0
109.06497	15.7
109.10162	39.5
111.04427	8.8
111.08073	9.9
111.11720	10.0
113.09636	3.0
115.05437	3.7
117.06973	3.7
119.08562	9.9
121.06505	4.6
121.10159	17.2
123.08061	7.0
123.11709	30.0
125.06025	13.7
125.09641	4.0
131.08566	8.3
133.10170	15.2
135.04462	3.2
135.08035	12.8
135.11694	14.5
137.05980	94.9
137.13251	9.2
141.12729	4.3
143.08611	6.2
145.10173	13.2
147.08057	4.3
147.11685	7.1
149.05948	3.3
149.09563	9.6
149.13312	12.7
151.07539	8.0
151.11180	3.6
151.14812	7.0
153.05496	3.5
153.09100	6.2
155.08545	3.9
157.10123	5.7
159.07964	3.6
159.11702	6.0
161.09607	8.3
161.13301	2.9
163.11165	4.1
163.14821	4.4
165.09131	7.7
165.16356	3.6
169.10135	2.7
171.11678	5.3
173.09621	7.4
175.11133	4.0
179.10660	5.2
183.11726	4.5
184.66722	2.7
187.07715	2.5
196.12282	3.4
197.13284	2.8
201.16412	9.0
203.17920	2.5
205.04974	3.4
211.14807	6.6
219.08044	4.3
229.15913	14.7
239.14290	6.2
240.91559	2.9
247.16911	12.0
251.10606	4.4
251.16415	47.2
257.15390	9.1
257.19281	3.2
267.27084	3.7
275.16360	27.8
275.19788	6.5
279.10175	3.0
283.06021	7.5
293.17294	3.3
293.21326	3.0
293.28409	7.4
311.05490	10.2
311.09128	10.7
311.12781	4.3
311.23819	4.4
311.29703	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	311.1642
Annotation	BRN 5760976
Peak:m/z	Relative Intensity
53.03941	1.1
55.05506	1.8
56.64880	0.9
56.96557	2.4
57.01085	0.9
57.07075	4.2
59.05000	4.6
67.05505	2.9
69.07071	3.3
70.30250	0.8
70.96355	1.4
75.34539	0.9
76.21403	0.8
79.05496	8.1
81.07079	5.1
83.04980	1.7
83.08621	2.0
85.23923	0.8
91.05485	36.6
93.07054	3.6
95.04948	1.8
95.08614	4.9
97.06565	1.0
103.05479	7.1
105.07035	100.0
106.07397	1.4
107.04967	2.7
107.08594	3.2
109.02888	1.7
109.06499	1.1
109.10184	2.2
111.04460	2.9
111.08035	1.2
115.05486	1.5
116.25224	1.0
117.07021	3.6
119.04912	1.0
119.08592	4.3
119.90268	0.8
121.02847	1.0
121.06510	3.1
121.10143	1.4
123.04451	1.3
125.05907	0.8
129.07001	1.9
131.04909	1.5
131.08580	1.8
133.06493	1.2
133.10120	1.7
135.04413	2.9
135.08055	1.9
137.06007	5.7
141.06969	2.1
143.08559	2.6
145.06479	1.8
145.10100	1.7
147.04451	1.9
147.08020	1.5
147.11752	1.0
149.02254	1.2
149.05988	3.6
151.07553	1.1
153.05481	1.8
159.08104	1.5
159.11696	1.2
161.05977	6.1
161.09633	1.2
163.03967	1.3
163.07556	6.4
164.04677	1.4
165.01756	1.0
167.08600	1.6
171.04448	0.9
171.08067	0.8
175.03954	4.2
175.07584	8.8
177.05518	2.0
177.09123	10.4
178.07753	1.7
179.08609	2.0
181.04922	0.9
181.10205	1.1
187.07544	5.1
189.05438	4.9
189.09122	5.8
191.10664	8.4
193.05025	2.0
194.07225	1.2
194.11043	1.0
202.06316	1.0
202.09790	0.9
203.07010	1.6
205.04932	2.8
207.08060	2.1
209.09856	1.4
209.11700	12.3
213.09195	1.1
215.07014	17.5
223.07497	1.4
225.09117	2.1
226.09691	1.7
227.07143	1.1
227.10699	4.2
235.07556	2.0
237.09096	1.6
237.11198	9.6
241.08649	1.0
241.12241	16.3
247.10748	0.9
249.09178	1.2
252.07849	1.0
253.05113	1.4
253.08522	9.0
253.12286	5.3
255.06511	1.0
255.10088	3.0
255.58083	1.1
265.08572	1.1
265.12146	1.4
267.10196	2.6
267.13812	12.2
269.15366	76.2
281.15332	2.4
283.06024	5.2
283.09595	3.1
283.16898	3.5
293.11765	30.0
293.15213	3.9
295.05930	2.2
296.03082	2.8
296.06335	1.0
311.05490	10.2
311.09079	7.7
311.12723	9.3
311.16412	16.9
311.20126	2.6
311.23883	3.6
329.13788	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Isotanshinone IIB
Peak:m/z	Relative Intensity
53.03953	0.5
55.01875	1.4
57.03416	0.5
57.07069	0.4
65.03938	1.5
67.05502	0.6
69.03423	0.6
69.07051	0.4
69.69717	1.0
69.70130	0.5
70.02486	0.3
71.05005	0.8
75.92139	0.2
77.03918	0.5
79.05496	3.8
81.07066	0.5
83.01320	0.8
91.05482	46.4
93.03410	0.8
93.07010	0.5
95.04955	1.4
95.08624	0.4
98.21507	0.5
103.05466	8.5
105.03413	3.2
105.07032	47.4
105.17608	0.3
106.07357	0.3
106.25929	0.3
107.04953	1.2
109.02871	0.7
109.06519	0.4
115.05447	1.9
117.07026	1.7
119.04951	0.8
119.08610	0.5
121.02882	0.4
121.06541	0.5
123.04420	2.1
128.06229	0.7
129.06995	1.3
131.04922	3.0
131.08569	0.9
133.06512	2.2
135.04404	4.7
137.05975	0.5
141.06969	3.0
143.04967	0.7
143.08611	0.8
144.05664	0.6
145.06517	0.9
147.04401	4.3
147.08070	0.5
149.02322	0.8
149.05977	4.2
151.03931	0.3
152.06223	0.5
153.06993	0.7
155.08638	0.6
157.06458	0.6
157.10118	0.5
159.04449	0.7
159.08066	3.1
160.05186	0.8
161.05978	13.0
161.09567	0.4
162.03120	0.6
163.03909	6.1
163.07529	0.6
165.06990	1.1
166.07785	0.7
167.08562	1.3
169.06456	0.8
169.10153	0.6
171.04431	1.2
171.08127	0.5
173.05992	0.8
174.06758	2.5
175.03914	16.1
175.07539	10.4
176.04633	0.9
177.05554	0.3
178.07759	3.5
179.08559	7.4
181.06526	1.0
181.10143	0.8
182.07292	0.5
183.08096	0.5
185.05988	0.5
187.03940	1.1
187.07539	19.1
189.05478	17.0
189.09090	10.5
190.07785	0.3
191.06999	0.4
191.08533	1.2
193.04955	2.1
193.10135	1.1
194.07088	0.3
195.08037	0.8
197.05956	1.5
197.09604	0.9
199.07571	0.8
200.04721	0.4
201.05470	0.4
202.06218	4.6
202.07857	0.6
203.06902	0.6
203.08572	0.9
204.09357	0.9
205.04936	0.6
207.08035	5.9
209.09630	2.2
209.11751	1.1
210.06749	1.5
211.07529	0.8
213.09071	0.4
215.07030	56.9
216.07368	0.7
219.11688	0.3
221.09512	0.9
223.07552	1.1
224.08267	0.5
225.09081	4.7
227.10670	10.2
229.10172	0.7
231.08049	1.1
233.08096	1.1
235.07541	9.8
236.08086	0.4
237.09055	1.2
237.11057	0.8
238.06155	0.5
239.10629	0.9
241.08539	2.8
247.11279	0.7
249.09138	2.6
251.06995	1.0
251.10669	0.4
252.07742	0.5
253.08601	36.3
254.08868	0.6
255.12306	0.4
257.09338	0.3
260.08139	0.5
263.10580	0.3
265.08450	0.4
265.12207	4.3
267.10187	12.2
267.13791	23.0
268.14200	0.6
275.10779	1.5
278.09406	0.6
283.05975	0.4
293.11716	100.0
294.11993	1.8
296.03152	0.4
303.12036	0.3
307.93307	0.3
311.05548	1.8
311.09567	0.8
311.12769	21.7
312.13199	0.5
329.13840	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.128
Annotation	Isotanshinone IIB
Peak:m/z	Relative Intensity
55.01786	2.8
55.05431	1.1
56.96498	0.7
57.06977	2.5
59.24557	0.6
65.03864	1.2
65.85919	0.6
67.05421	1.6
69.03363	1.1
69.06960	2.9
71.04922	0.8
71.57905	0.6
74.49344	0.6
79.05381	4.3
81.03341	0.8
81.06957	2.6
83.01237	1.1
83.04902	1.0
83.08546	1.5
91.05368	49.7
91.06273	1.8
93.06935	2.0
95.04923	0.9
95.08484	2.2
97.06429	1.1
97.10104	0.8
103.05347	7.2
105.03400	3.1
105.07036	41.3
105.07680	2.7
107.04820	2.4
107.05479	0.9
107.08500	1.3
109.02779	0.8
109.10081	1.3
111.04311	2.2
111.11578	0.7
115.05373	1.3
117.06956	1.3
119.08520	0.8
121.02807	1.0
121.06468	0.7
121.10056	1.2
123.04304	1.6
128.06142	1.1
129.06915	1.3
131.04915	3.3
131.08472	1.3
133.06377	2.0
135.04425	5.0
135.11581	0.8
136.91620	0.7
137.15179	0.6
141.07002	3.2
143.08495	1.2
145.06337	0.7
145.10065	0.8
147.04393	3.0
147.07947	0.9
147.11662	0.9
149.02185	1.4
149.06026	4.4
151.03813	0.8
153.05367	1.7
153.06870	1.2
157.10057	0.7
159.04301	1.1
159.08028	3.4
159.11469	0.7
160.05135	1.0
161.05986	12.7
163.03911	5.2
163.07552	0.7
165.01804	0.9
165.06900	1.3
167.08514	1.1
169.06519	1.1
169.10092	0.7
171.04366	1.2
173.05907	0.8
174.06645	2.0
175.03926	14.7
175.07544	10.4
176.04570	0.7
178.07770	3.5
179.07307	0.6
179.08560	7.4
181.04919	0.8
181.06427	1.6
181.12135	0.8
182.07127	0.8
187.03842	1.5
187.07556	18.0
189.03978	1.0
189.05492	15.9
189.09109	9.4
191.08459	0.8
193.04892	2.6
193.10222	0.8
197.05823	1.1
197.09569	1.0
199.07509	0.7
202.06203	5.8
202.07851	1.0
203.08508	1.1
207.08124	4.2
209.09552	2.3
209.11650	6.8
210.06702	1.6
211.07530	1.2
215.07036	55.7
219.08041	0.7
223.07521	1.0
225.09076	4.6
227.08871	0.8
227.10683	9.6
233.07829	0.9
235.07555	9.6
237.09076	1.3
237.11064	5.4
239.10548	1.0
241.08582	2.1
249.09198	3.0
250.09715	0.7
251.07042	1.0
251.10696	0.8
253.08604	37.5
255.12259	0.9
265.12207	4.5
267.10175	8.9
267.13779	22.7
270.62674	0.6
275.10745	1.5
275.19986	0.9
278.09207	0.8
283.06042	4.2
293.11728	100.0
294.12091	1.5
296.03137	1.6
311.05438	7.4
311.09222	1.1
311.12796	21.9
311.16144	1.6
311.24356	1.7
329.13907	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	311.1278
Annotation	Isotanshinone IIB
Peak:m/z	Relative Intensity
53.03811	0.6
53.04028	1.0
55.01951	1.1
55.05577	0.7
57.07156	1.1
65.04030	1.4
65.97952	0.4
67.05581	1.1
69.03529	0.8
69.07159	1.0
79.05605	3.4
81.07144	1.1
83.01422	1.0
89.15668	0.5
91.04690	1.5
91.05613	46.6
93.07168	1.6
95.05070	1.2
95.08711	1.5
95.65771	0.5
97.06618	0.6
103.05608	6.5
105.03523	2.7
105.07169	43.3
107.05059	0.9
107.08701	0.8
109.10278	0.7
115.05595	2.3
117.07122	1.2
119.05048	0.8
119.08717	1.6
121.06591	1.1
123.04575	2.2
128.06334	1.0
129.07112	1.5
131.04942	2.8
131.08659	1.4
133.05737	0.5
133.06630	2.3
135.04424	6.4
141.07130	2.2
143.08682	0.8
145.06606	1.2
145.10284	1.0
147.04408	3.9
147.08134	0.7
149.05978	4.1
151.04010	0.8
153.05511	0.6
153.07097	0.6
155.08653	0.9
157.06642	0.7
157.10173	1.1
159.04562	0.9
159.08066	2.5
159.11871	0.7
160.05290	0.8
161.06001	12.8
161.09738	1.0
162.03189	0.6
163.03883	5.4
165.07138	1.8
166.07893	1.4
167.08577	1.0
169.06613	1.4
169.10226	1.1
173.06075	0.9
174.06926	1.6
175.03914	15.1
175.07541	11.2
175.08940	0.6
176.04684	0.8
177.05573	1.1
178.07768	3.6
179.08543	8.3
181.06630	1.5
181.10262	1.4
187.04063	2.0
187.07545	20.0
189.05484	16.9
189.07446	1.1
189.09119	9.5
189.10719	0.8
191.08679	1.0
193.05103	1.7
193.10220	1.5
194.07401	0.8
195.08163	1.4
197.06093	0.9
197.09752	1.7
199.07617	1.0
202.06203	4.9
203.08690	0.8
204.09389	1.3
205.05074	1.7
206.07283	0.6
207.08000	5.1
208.08882	0.6
209.09737	2.3
209.11841	4.0
210.06810	2.5
211.07617	1.4
215.07027	56.0
216.07417	0.6
221.09706	1.5
223.07549	1.2
225.09088	4.4
227.10689	11.1
231.08122	0.7
232.09026	0.7
233.08163	1.0
235.07573	9.7
236.08214	0.7
237.09103	1.6
237.11310	2.4
239.10718	2.7
241.08669	2.3
247.11299	1.0
249.09059	2.4
251.07101	0.9
251.10732	0.8
253.08606	44.0
254.09023	1.2
265.12326	5.2
267.10236	10.3
267.13843	21.0
275.10620	2.0
283.06174	1.2
293.11722	100.0
294.12064	2.1
311.05481	1.4
311.09103	2.6
311.12729	21.2
311.16141	0.8
311.19870	2.1
311.23737	1.7
312.13419	0.6
329.10101	1.1
329.13828	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.065
Annotation	Aplysinol
Peak:m/z	Relative Intensity
50.37589	1.8
50.48783	1.3
52.79502	1.5
53.03938	1.8
54.40327	1.4
56.96566	29.0
57.03432	9.0
58.09574	1.5
60.95831	1.6
61.02931	7.8
63.45345	1.3
69.03431	16.5
69.79763	7.9
70.98110	2.3
71.01351	3.1
71.04980	5.0
71.95253	3.6
73.02917	7.6
81.03423	11.3
84.08115	1.7
84.96049	12.5
85.02898	23.7
86.03665	4.2
87.01027	2.2
87.04453	4.8
91.03951	1.8
96.01563	2.2
97.02893	11.4
97.96799	7.0
98.20785	1.7
98.97584	100.0
99.04469	4.1
100.05262	2.0
100.99138	2.6
101.00809	2.8
102.96836	1.6
106.02787	2.9
109.02881	6.5
110.01286	5.3
110.97554	12.4
111.02065	2.8
112.99118	12.3
116.98621	27.6
117.02064	3.8
119.01830	3.0
122.92268	1.5
124.99129	7.7
126.02489	2.3
127.03911	6.5
128.02293	2.0
128.98590	9.7
131.00192	9.3
131.03696	1.4
133.03473	2.5
133.07564	1.6
134.99614	6.4
135.01978	1.9
135.03145	1.5
136.99146	1.8
138.02579	2.0
138.04582	2.2
138.05521	28.6
139.00639	1.8
139.03314	1.6
140.04007	1.7
140.98572	2.2
143.00165	14.5
144.98093	2.4
145.01642	3.1
147.03157	2.1
148.06490	2.5
149.01172	2.5
149.04652	7.2
153.03119	2.0
154.03908	2.1
155.00081	3.9
157.01738	7.2
158.99654	10.8
161.01259	10.0
161.02512	2.1
162.03539	2.1
168.03600	2.1
169.04407	9.2
171.04124	2.2
173.01236	7.7
174.11269	6.0
175.02794	3.8
177.00711	6.9
177.04182	1.8
177.06606	5.3
178.04922	10.2
179.02226	4.5
182.99602	2.8
186.04625	2.3
189.00731	3.7
189.04039	1.9
191.02238	6.7
193.03737	2.3
196.04910	1.9
197.03271	2.0
198.04694	6.4
201.00665	5.8
202.01112	1.6
203.02301	2.1
205.05449	4.1
207.05162	9.3
207.55429	2.2
214.05934	17.9
216.05740	1.8
219.01756	8.1
220.05991	1.9
221.06833	2.1
223.06543	17.0
229.58806	1.8
230.07286	19.5
232.07048	10.3
233.03323	6.4
237.02834	6.3
239.04498	2.6
251.04364	20.1
252.12016	6.6
269.05435	27.1
279.07303	1.8
287.06335	3.5
293.05432	32.3
311.06464	73.7
311.09915	31.6
311.12909	2.9
311.15802	3.8
311.18951	2.1
311.60092	2.3
321.10202	2.3
323.06540	2.4
329.07672	2.3
334.08002	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	311.0552
Annotation	Flemichapparin C
Peak:m/z	Relative Intensity
53.98943	0.2
55.05494	0.3
56.79934	0.2
57.07048	0.6
63.46842	0.2
69.07046	0.3
70.03314	0.2
71.09070	0.4
79.05486	0.3
81.07041	0.3
89.03922	0.8
91.05506	1.0
93.07024	0.2
95.08602	0.4
105.07018	0.7
107.01337	0.4
107.08598	0.5
109.10162	0.3
114.29502	0.2
115.05457	0.9
117.03279	0.2
119.08598	0.3
131.08577	0.2
138.96924	0.2
139.05431	5.5
141.06992	4.6
149.02328	1.1
152.06180	0.5
153.06985	0.2
155.04922	0.4
157.10158	0.2
159.11726	0.2
161.04762	0.2
164.01051	0.5
165.01814	0.4
167.04932	6.2
167.06343	0.3
167.93591	0.2
169.06477	1.9
171.04401	0.5
173.13309	0.2
177.05580	0.3
182.02155	0.5
183.04248	0.3
185.06067	0.2
193.05000	1.1
195.04427	7.8
196.05246	0.3
196.62555	0.3
197.05988	4.1
199.03850	0.4
207.04396	0.5
210.64116	0.2
211.03899	0.2
223.03932	3.2
224.04597	0.5
224.65709	0.3
225.05478	9.8
227.03468	0.4
235.03922	0.7
251.03435	2.2
252.04240	0.9
253.04970	40.6
254.05389	0.7
254.10699	0.2
255.06491	1.2
275.20093	0.2
279.02988	0.9
279.13763	0.2
281.04468	21.1
282.04834	0.3
283.06082	0.6
296.03146	0.4
297.04102	0.2
311.05508	100.0
311.24365	1.9
311.74875	0.3
312.05884	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	310.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
54.92011	0.2
55.01891	0.4
55.05510	0.4
56.05040	0.4
56.96578	0.4
57.07069	0.3
67.05513	0.9
69.03444	0.7
69.07065	0.4
70.06593	1.0
71.04977	0.2
71.47538	0.4
72.08153	0.5
80.05033	1.1
82.06606	0.3
83.04970	0.4
84.08158	0.9
85.02921	0.6
85.06554	1.1
86.09683	0.4
87.43929	0.2
91.05482	0.6
94.06586	0.4
95.04979	0.3
95.08595	0.5
97.02918	0.4
98.97605	0.6
102.05484	0.3
103.05468	0.3
107.06081	2.5
112.07632	0.7
116.98616	0.2
119.04967	0.3
120.06838	0.7
120.08111	0.4
121.07625	0.3
122.08394	0.4
124.07594	0.5
125.07215	0.5
130.08623	0.5
133.07623	0.6
135.09186	36.3
136.06223	0.3
137.05957	0.5
138.05508	0.8
138.09140	0.8
139.08658	1.2
145.07690	0.2
147.04330	0.3
148.04822	0.3
154.13892	0.3
158.06871	0.3
162.10320	1.4
163.08675	100.0
164.09050	0.4
166.04970	0.5
166.08623	0.7
172.04361	0.3
177.05518	0.7
178.05809	0.6
208.06903	0.3
209.03166	0.3
246.11212	0.3
259.14044	0.3
292.11530	0.4
292.16602	6.5
310.09427	0.4
310.14590	0.4
310.17688	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	311.0552
Annotation	Maxima isoflavone A
Peak:m/z	Relative Intensity
52.73122	0.3
55.01852	0.5
55.05497	0.6
56.96550	0.5
57.07076	4.2
65.03904	0.4
67.05476	1.4
68.41310	0.4
68.99778	0.4
69.07042	0.9
71.08606	0.4
71.58070	0.6
75.84929	0.3
79.05466	1.4
79.65562	0.3
81.03403	0.5
81.07056	2.2
83.04946	1.1
83.08581	0.7
91.05453	1.5
93.07013	1.4
95.04933	1.2
95.08638	1.6
97.06530	0.4
99.64727	0.3
105.07002	1.4
107.04932	0.8
107.08581	0.8
108.09711	0.4
109.02850	1.2
109.06501	0.8
109.10104	0.7
111.04434	1.8
119.04944	0.4
119.08520	0.7
121.02883	0.4
121.06384	0.4
121.10114	0.9
123.08093	0.4
124.94155	0.4
125.05941	0.7
125.09601	0.4
128.06212	1.1
128.94797	0.4
131.08525	0.6
133.10091	1.1
135.04373	0.4
135.11719	0.4
136.69237	0.3
137.09572	0.4
141.60562	0.3
147.04398	0.6
147.11705	0.5
149.02313	0.8
151.88409	0.3
153.05498	1.9
155.04846	0.4
156.05659	1.5
159.11658	0.4
163.04007	0.4
163.11172	0.7
165.01817	0.5
170.12602	0.3
175.03873	1.0
177.05475	0.3
181.05058	0.6
181.12227	0.9
182.03601	0.8
184.05185	1.0
186.03151	1.2
191.10664	1.2
193.04970	0.8
196.62424	0.4
203.03363	0.8
203.07108	1.7
209.09732	0.6
209.11737	11.2
210.03143	0.9
211.03918	3.8
212.04712	8.6
237.09279	0.4
237.11234	9.0
238.02652	0.7
239.03413	1.5
240.04189	12.4
241.08478	0.4
242.66951	0.3
253.05061	0.7
255.12350	2.0
264.07950	0.5
267.02930	2.1
268.03690	14.7
269.08072	1.0
269.17871	0.4
275.20114	1.2
279.07434	0.4
279.10248	1.2
281.08182	0.7
283.06152	1.8
283.09290	0.5
293.11612	0.6
293.17627	0.7
293.21271	1.0
296.03177	96.2
297.03580	2.2
311.05521	100.0
311.08524	3.7
311.12430	3.5
311.24213	2.0
312.05884	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22770	0.6
51.02367	0.9
53.03946	5.0
55.01863	0.9
55.05267	0.8
55.05512	11.8
56.05023	1.4
58.06574	1.9
58.99569	0.8
61.02895	0.5
65.03938	1.0
67.05505	3.1
68.05012	1.0
69.03413	1.7
69.07047	0.6
70.06578	2.4
70.81699	1.6
71.04996	3.0
72.04530	4.5
72.04903	0.7
72.07793	1.0
72.08157	11.1
73.06544	0.6
77.03913	1.6
79.05497	0.7
80.97573	0.5
81.03397	1.4
81.07044	1.5
82.06558	0.9
83.04987	23.6
84.08141	4.6
85.02907	0.7
85.06550	5.3
85.08924	4.9
87.00845	0.7
87.08113	4.0
88.03989	1.7
91.05499	0.9
93.03394	1.4
93.07030	1.2
95.04961	6.2
95.08620	1.0
96.08137	1.9
97.06528	2.2
98.09735	1.2
98.19057	0.6
100.02227	1.1
100.07616	1.4
100.11295	0.9
101.06017	1.9
102.05548	8.3
102.09144	1.0
105.03398	100.0
105.04542	3.8
105.07034	1.7
107.08553	1.5
108.08154	0.6
108.08916	0.6
110.09696	4.6
111.04443	3.8
113.08383	0.9
115.07579	3.7
116.10726	1.6
119.08591	0.9
121.02852	0.6
121.06526	0.8
121.10195	0.7
124.07649	1.2
125.06014	1.9
126.03734	1.8
126.09203	1.0
127.03879	0.6
128.10724	76.0
129.11064	0.9
137.04210	8.5
138.09193	1.8
139.05782	1.6
143.07040	8.0
146.02728	1.2
147.11714	1.4
149.02351	0.8
150.09180	1.0
156.10213	69.5
159.11772	0.6
160.13339	34.6
161.13383	0.8
165.03755	0.9
165.12750	0.9
166.08684	1.4
167.03455	0.8
172.04317	5.6
176.01169	0.7
177.01917	1.3
179.09171	0.6
187.11191	0.8
188.12828	13.7
188.14403	1.0
189.12813	2.9
190.58600	0.5
191.14268	0.6
207.63383	0.6
209.06384	0.8
212.07477	0.8
214.08685	0.7
221.09854	0.7
223.11630	1.7
226.09189	0.7
254.08572	0.7
278.13901	18.7
283.06128	0.8
310.04807	1.1
310.16702	60.7
311.05508	10.9
311.08829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1472
Annotation	SB 218655
Peak:m/z	Relative Intensity
54.33792	0.8
55.01854	1.5
55.05510	6.2
58.99587	3.3
59.48211	0.8
67.05487	2.6
68.05031	1.1
69.03429	1.9
69.07063	3.0
70.02966	4.9
70.06586	2.1
72.08144	1.0
76.70985	0.9
79.05476	3.7
81.03419	1.7
81.07062	2.8
83.04984	10.5
84.08147	2.6
85.02918	1.1
85.06526	1.3
86.99065	1.2
88.03474	1.9
88.03997	30.3
91.05482	3.6
93.07059	4.3
95.04963	2.0
95.08618	2.7
97.01105	1.2
97.06499	1.4
98.78710	1.0
102.05532	1.2
104.06244	1.5
105.00109	1.2
105.07036	20.5
107.04964	1.8
107.08601	10.3
108.08114	2.4
109.02825	1.1
109.06546	1.3
111.02662	4.2
117.06957	1.7
119.07899	1.1
119.08594	10.7
120.01160	2.1
121.02899	1.7
121.06496	2.0
121.10139	4.5
122.09666	2.0
123.08041	1.9
124.07597	1.6
125.04212	5.7
126.03737	1.4
131.04990	0.9
131.08569	2.9
133.06471	2.9
133.10114	7.3
135.04395	1.1
135.08054	1.4
135.11676	0.9
137.04216	34.5
138.09125	3.0
139.05772	16.5
139.88484	0.9
140.05304	1.3
144.09341	1.2
145.10129	5.1
146.02718	1.9
147.08049	2.1
147.10507	1.1
147.11688	16.1
149.02318	1.2
150.09135	1.5
151.05774	1.4
155.48772	0.9
156.09406	1.1
159.11665	9.2
160.12505	1.3
161.09595	4.6
161.13283	10.3
163.05745	2.9
165.07339	2.1
165.12823	1.5
166.06880	3.0
166.08658	3.8
167.03529	0.9
167.05360	3.1
171.11678	1.0
172.04257	4.0
174.10440	1.2
176.00987	1.3
176.90823	0.9
177.01826	2.5
179.08913	5.4
180.08473	1.6
181.10439	8.0
184.09669	1.0
187.11143	5.6
188.12021	2.1
189.12753	22.2
190.12225	1.1
191.14355	5.3
193.10483	4.1
195.04820	1.4
203.08939	1.6
205.10558	1.5
205.14633	2.9
206.15395	1.5
208.07968	2.3
209.06281	2.5
212.07411	8.6
221.09973	14.5
223.11525	31.1
226.08984	7.5
251.10887	1.7
252.10582	5.6
254.08511	1.5
264.14191	2.6
283.06100	2.0
292.13165	1.9
293.12048	3.9
296.03101	1.2
310.05035	4.3
310.14670	100.0
311.05527	22.9
311.08847	1.3
311.15067	2.3
333.23044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03944	3.4
55.01863	2.7
55.05512	26.1
57.03425	2.3
57.07077	10.5
58.68357	1.4
59.04992	3.0
65.03921	1.4
67.05169	2.4
67.05508	37.1
69.03430	4.0
69.07071	68.6
69.37109	5.5
69.37536	5.0
71.04989	4.4
71.08612	1.9
72.06055	1.3
79.05045	1.8
79.05494	21.5
81.03399	2.0
81.07061	100.0
83.04952	3.9
83.08144	1.5
83.08624	18.9
84.08154	6.7
85.06544	28.7
85.10146	1.1
91.05499	12.0
93.07049	35.7
95.04949	4.5
95.08612	91.6
97.02886	9.3
97.06551	6.9
97.10172	11.5
99.08105	17.6
105.07034	13.7
107.08600	40.1
109.06538	3.0
109.10162	53.7
109.48802	1.3
111.04462	1.3
111.08080	15.1
111.11716	12.1
113.09669	2.9
113.79258	1.4
117.03380	3.4
119.04940	1.8
119.08588	10.0
121.06558	1.4
121.10152	28.8
123.08102	2.0
123.11712	32.5
125.09608	6.8
125.13251	1.7
127.11184	4.5
131.08533	1.3
133.10147	10.3
135.04466	1.5
135.08087	1.4
135.11690	20.3
137.09628	2.2
137.12268	2.2
137.13266	21.5
139.11212	8.9
141.12772	1.9
145.02834	5.4
145.10143	1.6
147.04430	8.2
147.11720	7.6
149.13260	31.8
151.11130	1.8
151.14809	3.9
153.12782	4.5
155.14339	1.3
159.11784	1.6
161.13268	4.4
163.03929	5.8
163.11301	1.5
163.14830	12.1
165.12715	1.9
165.16338	2.2
167.14301	5.4
175.14854	2.8
177.05481	11.1
177.16414	8.4
180.13864	1.5
181.15776	2.1
189.16374	3.3
191.17973	4.5
195.17467	1.8
203.17923	3.5
205.19472	2.7
206.00317	1.1
209.19041	3.5
217.19563	4.3
221.19035	2.6
227.20006	1.8
235.20723	2.8
245.76628	1.3
247.24193	2.2
249.09132	3.2
263.21158	1.6
265.25162	2.7
273.25824	7.3
277.08505	2.3
281.07974	1.7
281.11429	1.5
291.19604	2.3
291.26846	19.4
291.68991	1.4
309.07532	4.7
309.11047	2.9
309.16818	2.1
309.21313	4.6
309.27853	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03942	1.6
54.57572	1.2
55.01871	2.6
55.05514	19.9
57.03432	1.6
57.07080	9.5
57.38578	1.2
65.03922	2.3
67.05506	38.0
68.96474	1.3
69.03439	1.3
69.07070	35.4
70.73648	2.0
70.73985	2.3
71.04989	3.1
71.08651	1.5
72.54485	1.1
73.06580	1.7
77.03905	1.9
79.05498	17.5
81.07061	100.0
83.04959	1.3
83.08629	15.8
85.06545	40.3
89.74892	1.4
91.05450	6.6
93.07047	28.2
95.04964	3.9
95.08611	82.2
97.06539	3.9
97.10154	14.0
99.08097	24.9
105.07040	10.8
107.08598	39.2
109.06539	1.6
109.10162	63.6
111.08080	12.8
111.11737	5.9
113.09644	7.6
119.04952	1.3
119.08585	10.0
121.10152	25.2
123.04455	1.6
123.08074	1.5
123.11711	30.6
125.09676	8.2
127.11250	2.6
133.10138	4.5
135.11694	18.9
137.13252	12.9
139.11218	4.5
141.12723	1.5
147.04420	4.7
147.11694	6.2
149.13264	27.5
151.14827	5.2
153.12747	2.1
161.13254	4.8
163.11191	1.4
163.14832	20.7
165.16434	3.2
167.14369	3.4
177.05566	2.1
177.16371	9.5
181.15878	2.2
189.16377	2.1
191.17950	4.9
195.17513	2.5
203.17946	3.6
205.19463	1.9
209.19052	1.5
217.19470	7.0
227.56180	1.3
232.72733	1.5
235.13266	1.9
235.20572	2.6
247.24214	3.0
262.36926	1.2
263.11819	4.2
264.12683	2.6
265.25201	3.2
273.25818	7.3
291.23926	2.3
291.26843	20.6
309.07617	3.7
309.16821	1.8
309.27911	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03933	3.2
55.01854	3.7
55.05258	1.4
55.05511	25.1
57.03432	3.2
57.07074	8.6
59.03268	1.0
59.05003	6.4
65.03928	2.2
67.05505	40.6
69.03423	2.3
69.07067	41.5
71.04980	3.8
71.08627	3.1
71.58456	1.5
79.05501	18.9
81.03432	1.9
81.07059	100.0
82.95329	1.2
83.04950	1.5
83.08613	16.1
85.06544	32.7
85.07063	1.8
87.53560	1.2
91.05477	9.4
93.07049	32.5
95.04942	3.4
95.08607	77.1
97.06528	5.1
97.10178	17.5
98.97542	1.4
99.08092	26.8
105.07046	13.7
107.04948	3.2
107.08599	38.5
109.06498	2.0
109.10160	57.1
109.10917	2.8
111.08080	14.5
111.11701	6.4
112.05357	1.2
113.09667	8.5
117.07007	1.9
119.08572	10.3
121.10143	26.1
123.08098	2.2
123.11712	39.7
125.09655	9.6
125.13282	1.9
127.07500	1.7
127.11201	2.9
131.08607	2.5
133.06427	1.2
133.10112	8.1
135.11685	19.4
137.09647	1.3
137.13246	10.1
139.11156	4.7
140.53302	1.2
143.10703	1.9
145.02884	1.6
145.10107	3.4
147.04388	3.7
147.11684	5.1
149.13258	28.2
151.14780	4.3
153.12762	1.8
157.10133	1.5
161.13300	3.9
163.14821	14.2
165.16388	1.7
167.14281	2.5
175.14790	4.0
177.05496	1.5
177.16385	10.8
181.15874	2.2
189.16383	1.7
191.17877	3.2
195.17526	1.6
203.17946	2.9
209.19063	1.4
217.19528	5.4
235.20590	2.1
247.24248	2.4
249.09215	1.2
265.25302	3.5
273.18579	2.1
273.25681	7.2
291.19604	2.9
291.26779	15.0
309.07483	4.1
309.10995	2.5
309.20688	3.3
309.24451	1.4
309.27832	24.3
331.29135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.279
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.02341	1.4
53.03939	2.6
55.01869	3.0
55.05264	2.1
55.05516	33.1
57.03445	8.2
57.07076	20.1
59.04997	2.5
65.03932	2.7
67.05508	40.5
69.03432	3.2
69.07073	49.7
69.89778	4.3
69.90178	2.8
71.04993	6.9
71.08638	11.2
76.11596	1.7
79.05059	1.9
79.05495	30.7
81.03451	2.4
81.07060	100.0
83.04970	4.8
83.08627	26.5
85.02859	1.3
85.06549	4.6
85.10175	3.9
91.05485	20.4
93.07053	42.3
95.04987	13.2
95.08612	76.9
97.06538	9.0
97.10192	15.8
97.31075	1.3
98.21446	2.7
99.08073	4.4
105.06382	2.2
105.07038	33.9
107.04944	5.4
107.08603	28.9
109.06523	9.8
109.09457	2.6
109.10163	42.9
111.04431	1.6
111.08077	4.9
111.11714	9.1
116.03098	1.2
116.98624	1.4
117.07004	6.1
119.07777	2.3
119.08588	27.8
121.06519	2.3
121.10148	20.9
123.08092	9.7
123.11715	16.4
125.09647	6.7
125.13326	2.0
129.06961	1.9
131.08575	4.8
133.10152	16.2
133.87471	1.5
135.08073	2.7
135.11717	14.6
137.09633	8.1
137.13254	9.8
139.11177	3.6
139.14864	1.6
143.08594	2.9
145.10123	5.4
147.08037	4.1
147.11710	19.7
149.13268	13.0
151.11189	3.9
151.14803	5.4
155.10692	2.9
157.10130	4.0
159.08069	1.4
159.11708	2.4
161.13263	12.3
163.14847	7.8
165.12750	5.6
165.16354	2.9
169.10179	1.9
169.95784	1.4
171.08075	1.4
172.94431	1.3
173.13216	1.3
175.11221	2.1
175.14792	6.3
175.68903	1.7
177.16377	4.0
179.14317	1.6
179.17963	2.7
183.11642	1.9
189.11166	1.9
189.12743	1.6
189.16327	5.0
191.18013	3.2
195.08031	1.6
203.17941	4.7
217.19510	5.2
235.07312	1.4
243.73111	1.3
247.24178	2.2
253.08720	1.9
254.94859	2.3
263.20129	1.7
266.05783	2.4
273.18552	9.2
273.25797	20.8
281.08151	4.4
291.19556	11.7
291.26816	14.1
309.07510	6.8
309.11218	4.9
309.14560	2.0
309.20306	1.7
309.28107	16.2
327.08594	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.36240	2.4
53.03929	5.5
55.01867	6.1
55.05514	23.2
57.03442	64.1
57.07084	2.8
65.03954	3.4
66.53526	3.0
67.05509	65.0
69.07075	26.1
70.09293	13.8
71.04997	4.4
71.08629	13.2
74.32834	3.1
79.05501	50.5
81.03421	4.2
81.07063	100.0
83.04980	7.2
83.08619	16.0
85.06549	9.2
91.05493	62.4
92.95635	2.6
93.07054	58.4
95.04987	7.6
95.08614	87.6
97.06545	9.3
97.10184	8.6
99.08083	13.6
105.03390	3.3
105.07034	30.1
107.04949	6.3
107.08606	46.4
109.06511	10.1
109.10169	34.0
111.08100	7.1
117.07017	7.0
119.08596	27.8
121.09308	3.9
121.10165	52.9
123.08072	12.0
123.11729	10.5
125.09641	5.9
131.08585	22.0
133.10150	23.9
135.08076	6.6
135.11700	33.4
137.09619	9.9
137.13261	3.8
139.11237	4.9
143.08540	5.2
145.10118	17.5
147.11635	15.1
149.09691	6.1
149.13292	19.0
151.11180	7.9
157.10155	4.1
159.11659	16.9
161.13297	13.0
163.11165	7.2
163.14833	4.1
165.12747	3.7
171.11745	4.7
173.13292	7.7
175.03909	4.9
175.14714	4.8
177.12874	3.5
179.08694	4.0
179.14363	21.1
181.12257	4.5
185.13278	7.0
187.14822	28.8
193.55684	2.7
199.14871	3.7
201.16325	4.5
203.17963	6.3
205.15936	15.0
221.19052	15.7
228.70557	3.1
237.18535	8.5
241.19527	12.9
244.51463	3.1
251.07167	6.4
252.42261	3.5
253.08591	23.5
253.10934	3.2
253.12312	3.2
259.20435	18.1
266.05869	3.5
277.21640	63.5
291.10226	16.1
291.23163	12.7
309.11398	7.1
309.14795	10.8
309.18344	3.1
309.24396	17.7
327.38568	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	309.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08672	1.7
53.03951	4.5
53.90404	1.8
55.01871	2.2
55.05508	13.7
56.96574	9.3
57.03432	4.9
59.05000	2.3
65.03934	2.7
67.05509	29.7
69.03426	2.5
69.07075	17.4
71.05003	3.5
71.08628	2.1
71.57874	2.3
76.91758	2.0
79.05496	29.5
81.03374	2.2
81.07061	37.1
83.04987	5.0
83.08607	6.5
85.60865	1.9
87.09653	2.2
91.05489	100.0
93.07051	45.6
95.04978	32.5
95.08614	26.8
97.06548	9.9
97.10190	3.9
98.50415	2.1
99.08065	3.2
103.05479	6.6
105.03383	3.3
105.07040	51.0
107.04976	7.2
107.08597	25.5
109.06549	10.4
109.10162	19.0
111.08085	2.9
115.05448	5.2
117.07027	12.6
119.04967	2.3
119.08598	34.3
121.06545	5.2
121.10156	63.0
123.08051	6.0
123.11707	7.3
125.09671	1.8
128.06192	4.8
129.07037	10.6
130.07828	5.1
131.08586	20.8
133.06535	4.1
133.10149	25.5
135.04413	3.1
135.08057	4.3
135.11681	8.5
137.05969	2.5
141.06987	8.5
142.07787	8.9
143.08568	18.1
144.09332	5.0
145.06538	2.7
145.08237	1.9
145.10132	29.6
147.04420	4.3
147.08052	2.5
147.11722	9.3
149.13190	2.9
155.08556	7.6
156.09367	7.0
157.10146	18.2
159.07999	2.7
159.11674	19.5
161.05981	5.8
161.09637	7.2
161.13264	5.7
163.11183	2.1
165.07059	5.0
166.07809	2.4
167.03349	3.1
167.08627	2.6
169.10214	10.5
169.41687	1.8
171.11740	11.8
173.13272	10.9
175.03896	5.6
175.11160	3.0
175.14833	4.6
179.08571	6.4
181.06567	2.0
181.10109	7.4
182.10919	3.0
183.11719	7.1
184.12538	2.6
185.09639	2.4
185.13274	6.9
187.11188	7.2
187.14871	11.0
189.05502	10.1
189.08987	2.2
190.95413	2.3
191.08592	3.2
193.10120	4.8
195.11707	5.8
196.12479	2.1
197.09605	4.3
197.13303	6.8
199.14815	7.1
201.12802	2.1
203.07060	3.9
206.10831	2.3
207.08112	3.3
207.11679	4.5
209.13240	6.0
211.07635	2.5
211.14833	6.1
213.16405	3.5
220.12492	3.5
221.13217	3.8
223.07538	2.3
223.14899	2.0
225.09149	4.1
225.16531	4.0
227.17964	2.3
231.10168	3.6
235.07523	5.8
235.14952	2.2
237.09047	3.6
237.16386	2.2
239.10716	2.4
239.17902	3.2
249.09123	2.7
251.07155	9.9
251.17970	1.9
253.08612	52.6
253.12387	4.8
253.15895	3.2
253.19531	4.5
254.94759	4.3
263.10764	2.6
265.08609	2.2
266.05856	3.7
267.10220	6.0
270.14291	2.0
273.18405	2.8
277.21716	4.2
279.06659	2.7
281.07956	2.0
281.11633	5.3
281.22620	3.6
291.10156	19.3
291.20981	4.0
309.07550	7.3
309.11215	22.8
309.14853	45.6
309.18362	7.1
309.22144	42.5
309.25708	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	309.2214
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03945	5.9
55.01867	4.2
55.05514	15.7
56.98362	2.4
57.03426	5.0
57.07064	4.8
60.30407	2.3
62.67958	2.5
65.03954	3.3
67.05511	26.5
69.07087	16.9
70.69150	5.0
70.69525	5.4
71.04964	2.4
79.05499	30.1
81.03391	4.2
81.07061	40.5
83.04972	3.6
83.08607	8.5
83.72827	2.4
91.05483	40.9
93.07051	56.8
95.04978	48.5
95.08050	3.2
95.08617	44.6
97.06535	11.7
102.97239	2.6
103.05446	4.8
105.04486	3.2
105.07039	80.5
107.08608	36.4
109.06499	9.6
109.10174	19.1
115.05462	6.6
117.07038	14.9
119.07794	4.2
119.08595	59.0
121.06499	11.4
121.10149	81.1
123.08053	10.6
123.11697	10.1
128.06201	9.2
129.07005	11.7
130.07790	6.6
131.08588	33.3
133.10152	36.5
135.08064	6.1
135.11726	11.7
141.06981	7.7
142.07771	17.8
143.08565	24.4
144.09309	6.9
145.09035	3.4
145.10132	42.8
147.11662	8.2
149.09627	3.1
153.07034	3.1
154.07794	5.9
155.08553	12.9
156.09357	9.9
157.08945	3.7
157.10141	38.3
158.10867	3.7
159.07968	3.8
159.11703	33.6
161.09630	7.8
161.13252	7.7
165.07068	4.0
167.08574	6.0
168.09335	3.5
169.10107	17.0
170.10864	5.4
171.11678	23.6
173.09717	2.5
173.13292	21.3
175.14784	9.7
179.08531	5.8
181.10139	8.9
182.10873	5.8
183.11717	20.4
185.09534	3.4
185.13246	12.0
187.11191	6.2
187.14827	17.7
192.09253	4.1
193.10144	6.3
194.10921	6.8
195.11703	9.2
196.12372	4.2
197.13283	14.7
199.11267	3.2
199.14806	9.7
201.12752	3.1
203.08632	2.7
205.10069	5.2
206.10913	4.6
207.11684	9.7
209.13290	10.7
211.11214	3.2
211.14879	13.0
213.16431	3.2
215.14246	6.4
220.12679	2.7
221.13263	7.7
223.14790	4.4
225.12779	3.1
225.16380	6.9
235.14813	8.4
237.16473	3.2
239.14288	2.9
239.18059	6.4
241.15967	3.8
249.16403	4.0
253.15872	10.9
255.29858	2.6
265.19431	3.5
267.17462	3.8
281.22589	7.7
291.21021	15.5
309.11084	7.0
309.14563	3.4
309.18506	5.6
309.22107	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	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03929	2.4
55.01869	4.3
55.05264	1.5
55.05516	29.4
57.03437	1.2
58.98594	1.0
65.03923	3.3
65.19767	1.0
67.05507	15.3
69.03430	5.8
69.07074	11.7
69.72522	6.7
70.65691	1.2
70.98564	1.0
71.04979	1.9
73.71730	1.0
79.05499	16.9
81.03406	2.0
81.06633	1.8
81.07066	17.7
82.99583	1.2
83.01392	1.5
83.04983	3.8
83.08617	15.1
91.05486	73.9
93.07049	12.1
95.04966	5.8
95.08628	10.4
97.06547	3.0
97.10182	20.9
101.09675	1.3
101.21745	1.1
105.03416	1.2
105.07030	9.4
107.04961	3.7
107.08597	12.1
109.02871	1.9
109.06523	2.4
109.10136	3.2
111.04463	2.4
117.07030	4.7
119.04926	1.7
119.08610	8.0
121.06539	2.8
121.10156	5.4
123.04523	1.5
123.08091	11.0
123.11646	1.3
124.13583	1.1
125.09642	18.8
129.07018	1.6
131.04832	1.0
131.08559	4.7
133.06494	3.6
133.10135	4.5
135.08055	3.5
135.11731	1.9
137.05989	2.0
137.09578	2.4
143.08536	1.8
143.10744	1.2
145.10110	3.0
147.04410	2.5
147.08040	4.3
147.11690	3.9
149.02299	2.1
149.09621	2.1
149.13307	1.5
153.09064	1.4
157.10158	1.8
159.11647	1.7
161.09644	2.1
163.11235	2.1
165.09109	3.5
171.11638	1.6
175.03909	11.5
179.08562	5.2
189.05576	2.6
189.11250	8.5
207.08070	4.4
210.06821	1.7
211.07669	2.2
223.13345	2.0
225.09132	6.0
235.07524	5.8
249.14781	1.7
251.07063	1.3
253.08617	64.3
254.09004	1.6
255.17430	1.7
263.20026	1.6
273.18549	12.3
291.19565	100.0
309.07587	1.4
309.11218	4.8
309.14804	32.8
309.20621	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	309.2063
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03936	7.5
55.01871	20.3
55.05511	30.7
57.03447	5.0
57.07076	4.3
63.44719	2.1
67.05167	5.1
67.05510	80.7
69.03436	4.9
69.07077	31.6
69.41555	20.6
71.04996	11.1
71.08657	3.6
79.05498	55.1
81.03424	4.9
81.07062	89.2
83.01353	5.5
83.04999	16.9
83.08626	12.3
84.54507	2.5
85.06550	10.0
91.05486	81.5
93.07057	48.9
95.04959	12.5
95.08605	28.7
97.06538	10.0
97.10226	3.7
99.04462	4.0
102.48473	2.3
105.03354	3.3
105.07037	63.4
107.04973	9.4
107.08605	57.8
107.09291	5.1
109.06528	15.8
109.10163	80.5
111.04468	5.9
111.08070	5.2
113.06066	3.7
115.05476	2.4
117.07045	9.9
119.08595	20.0
121.06510	10.5
121.10136	12.1
123.08053	4.9
123.11727	13.5
125.09636	6.0
127.07575	3.2
129.06987	4.9
131.08568	13.9
133.06476	7.1
133.10143	100.0
135.08060	8.3
135.11734	5.6
137.09615	5.0
139.07520	8.6
143.08600	8.6
145.10100	13.5
147.08070	12.8
147.11679	4.7
149.09625	8.8
149.13388	2.6
151.11200	62.1
153.90657	2.7
155.08594	3.8
155.24321	3.1
157.10179	5.3
159.08052	4.0
159.11652	4.6
161.09601	12.6
161.13277	5.4
163.11212	4.2
165.06984	2.9
169.12239	14.5
171.11633	5.3
173.13139	2.7
175.03926	3.8
175.11229	4.3
179.08528	3.7
179.10722	4.0
181.08545	3.3
185.13332	3.3
189.12802	3.5
198.33461	2.3
199.11160	4.7
207.08018	4.3
209.11859	3.3
211.07411	3.0
215.12823	5.2
217.12164	3.4
227.17986	3.8
229.08736	2.9
245.19073	17.2
253.08649	26.3
255.17477	2.6
262.03607	2.5
263.20044	17.4
273.18512	34.3
291.19540	56.9
309.07559	4.2
309.11267	4.3
309.14932	15.4
309.20514	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03950	1.5
55.01867	2.2
55.05521	7.2
56.96561	1.3
57.03431	2.1
57.06493	0.6
64.90837	0.8
67.05511	19.9
69.03403	1.0
69.07075	6.7
70.04080	1.3
70.79916	1.4
70.80261	1.2
71.04988	1.3
74.84753	0.7
75.04443	0.7
79.05052	1.2
79.05500	17.7
80.06075	0.7
81.03462	1.6
81.06586	0.7
81.07064	12.4
82.64925	0.6
83.04984	2.0
83.08634	1.7
85.06551	1.2
90.42338	0.6
91.05488	15.0
93.07056	9.0
95.04993	3.4
95.08614	100.0
96.08969	1.3
97.06523	3.4
97.10168	1.6
98.97606	0.8
103.05486	0.8
105.03400	4.0
105.07041	6.9
107.04961	9.9
107.08604	12.6
109.06524	2.3
109.10163	3.5
109.81195	0.7
115.05475	0.7
117.07018	1.7
119.08604	4.3
121.10169	2.9
123.08067	6.5
123.11727	1.1
125.09665	0.8
129.07033	2.1
131.08554	1.6
133.10139	2.8
135.08064	4.4
135.11687	0.8
137.09650	1.6
141.06966	1.5
141.09116	27.3
141.19954	0.7
143.08594	1.4
145.10143	1.3
147.11720	1.6
149.09639	1.4
157.10095	0.7
157.12317	0.9
159.10184	37.3
165.07057	2.6
167.08585	2.1
168.34628	0.7
169.06546	0.8
171.11726	1.0
173.11685	1.1
175.07533	1.6
177.06892	0.7
178.07819	0.7
179.08522	1.1
185.13249	0.6
190.07704	0.8
190.37949	0.7
191.08632	1.9
194.07466	0.7
195.08075	1.2
197.06038	3.8
197.15416	1.7
203.72574	0.6
207.08089	2.5
212.93651	1.1
217.10277	1.2
223.07573	3.7
225.09245	1.4
234.06807	0.9
234.40590	0.7
235.07611	1.1
235.11168	0.7
239.06963	1.3
245.18887	1.1
251.07056	34.0
252.07550	1.2
254.94826	0.9
263.10666	5.5
263.20117	9.7
265.08627	4.1
273.09381	0.7
273.18689	1.3
281.11679	5.5
291.10165	38.0
291.19519	2.6
292.10605	1.1
309.07742	1.8
309.11127	10.8
309.20587	6.7
327.12387	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03940	3.3
54.67998	2.2
55.01871	7.2
55.05507	8.8
56.96571	14.2
57.03442	32.9
57.07067	3.6
63.81984	2.0
64.55370	2.0
64.57439	2.1
67.05505	33.1
69.07073	7.6
69.64436	7.2
69.64835	5.1
71.04987	3.5
79.05495	21.4
81.07063	25.6
83.04967	2.6
83.08614	5.2
85.06556	32.6
91.05479	38.9
93.07035	15.7
95.04967	39.4
95.08617	18.0
97.06503	2.7
98.21500	3.1
103.05458	2.3
105.07054	18.3
107.04939	3.4
107.08598	15.7
109.06516	38.9
109.10168	6.7
113.05219	5.2
113.06014	100.0
117.07027	8.1
119.08584	17.4
121.06525	3.5
121.10157	9.5
123.08057	3.2
129.07043	5.5
131.08563	11.0
133.10120	7.6
135.08066	39.4
135.11670	6.0
143.08585	5.1
144.23973	2.4
145.10143	6.7
147.08115	3.0
147.11707	3.6
149.09625	3.6
157.10120	4.7
159.08025	2.9
159.11691	4.6
161.09656	3.2
163.11148	2.3
165.12944	2.1
171.11681	2.6
174.06819	3.6
175.03859	5.0
199.14803	4.7
211.14899	2.6
217.15884	12.9
218.05336	2.3
225.09071	3.2
239.23285	2.2
251.16588	2.9
253.08679	16.8
255.17442	2.3
266.05597	3.2
273.18506	16.3
281.08020	2.8
291.19562	45.3
309.07654	7.6
309.11246	12.0
309.14853	15.6
309.20773	7.6
317.12463	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	7.5
55.01873	39.0
55.05306	2.2
55.05514	24.0
56.96562	2.6
57.02040	2.2
57.03446	16.1
57.07078	4.7
60.22895	2.1
65.03932	4.4
67.05178	4.2
67.05510	62.4
68.29138	2.4
69.03420	3.6
69.07068	27.4
69.37276	4.0
69.37680	16.9
70.28763	2.1
71.04978	10.0
79.05058	4.0
79.05492	45.8
79.62178	2.4
81.03414	12.8
81.07063	77.1
83.04983	35.4
83.08630	12.3
85.02869	2.2
85.06543	5.6
88.43075	2.9
91.05480	44.2
93.07049	47.5
95.04973	23.5
95.08610	46.4
97.06544	28.5
97.10177	11.5
99.04448	20.3
99.08091	10.3
105.07029	34.0
107.04971	15.0
107.08601	29.4
109.06526	37.6
109.10166	24.4
111.04449	100.0
111.08068	6.1
113.05962	2.6
117.07034	15.1
119.08598	25.0
120.09045	2.3
121.06477	6.0
121.10149	23.1
123.08066	12.8
123.11656	4.6
125.09621	8.3
127.07571	2.3
128.06230	3.1
128.88696	2.7
129.06987	6.3
131.08580	17.9
133.06445	3.3
133.10147	19.3
135.08052	11.8
135.11694	11.0
137.09618	11.8
143.08569	6.6
145.06543	2.4
145.10132	8.2
147.08063	3.3
147.11647	7.4
149.09599	9.0
149.13252	4.3
151.07483	2.5
151.11174	7.3
153.09103	20.4
157.10109	13.1
159.11691	6.9
161.09566	12.0
163.11224	4.5
167.14386	2.4
171.11719	4.2
173.11729	7.3
173.13185	4.5
175.11172	4.5
177.12848	3.3
183.11732	2.8
193.12285	4.6
203.06998	3.3
203.14294	2.8
217.15866	9.7
219.13733	2.5
221.15425	3.9
245.19037	3.0
255.17613	2.7
263.20071	7.0
267.15881	4.1
273.18466	21.1
276.91745	2.4
281.07983	3.3
291.10260	3.1
291.19553	51.1
291.22818	3.9
309.07422	5.3
309.11310	7.4
309.14825	2.6
309.20544	37.5
309.28088	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1123
Annotation	Warfarin
Peak:m/z	Relative Intensity
53.03952	0.8
54.80891	0.3
55.01866	1.2
55.05508	0.6
56.96328	0.3
56.96572	4.3
57.03434	0.4
58.93255	0.3
65.03940	0.4
67.05501	1.5
67.49281	0.4
69.03416	0.6
69.07056	1.0
70.28667	1.1
71.05025	0.4
71.19753	0.3
79.05495	1.3
81.03398	0.5
81.07060	1.7
85.06544	0.4
87.08600	0.3
91.05486	18.6
93.07055	1.0
95.01332	0.8
95.04958	1.5
95.08605	1.3
98.21390	0.5
103.05461	2.6
105.03394	11.7
105.04468	0.7
105.07032	1.2
107.04984	0.8
107.08591	0.9
109.06527	0.5
109.10155	0.6
111.04453	0.4
115.05466	1.2
116.54974	0.3
117.07047	0.6
119.08600	0.8
121.02865	0.5
123.08060	0.4
126.52592	0.3
128.06204	1.1
129.07019	1.1
131.04965	1.0
131.08577	0.7
133.06462	0.5
133.10165	0.6
135.04379	0.6
135.08026	0.5
137.06017	0.4
139.05377	0.4
141.06989	3.6
143.08585	0.8
145.10095	0.5
147.04431	0.9
149.13280	0.5
151.07553	0.9
152.06204	2.2
152.07249	0.3
153.06989	1.2
155.04886	0.5
155.08562	0.8
157.06474	0.5
157.10068	0.4
159.04413	1.0
159.11664	0.5
161.06003	0.9
163.07526	0.6
165.07004	4.6
166.07736	2.1
167.08565	4.7
169.06508	1.8
171.08046	1.4
173.13240	0.4
175.03944	0.6
175.07533	4.3
176.06290	0.8
177.05414	0.4
177.06967	1.3
178.07747	3.4
179.07045	0.7
179.08522	4.2
181.06490	1.2
181.10129	0.7
183.08087	0.5
185.06029	0.6
187.03934	0.8
189.05432	1.9
189.07007	1.1
190.07780	1.5
190.95387	0.4
191.08545	2.8
192.09340	0.7
193.06493	0.4
193.10149	0.8
194.07295	1.5
195.08080	4.1
197.05971	11.0
199.14784	0.4
201.05591	0.4
202.07790	3.6
202.31413	0.4
203.06985	1.1
203.08627	0.8
205.04875	0.6
205.06540	1.2
206.07263	0.6
207.08018	5.3
207.11624	0.6
209.05943	0.4
209.09656	1.1
210.06856	0.5
211.07581	1.0
212.93585	0.3
215.08595	1.1
216.09473	0.5
217.10089	1.6
218.07263	0.6
219.08055	1.9
220.08810	1.2
221.09595	1.3
222.06758	0.4
223.04173	0.6
223.07549	12.0
225.09117	2.7
231.08029	1.1
232.08833	0.4
233.05891	0.7
233.09509	0.5
234.06732	1.4
235.07591	3.9
235.11142	1.3
237.05429	0.7
237.08998	2.0
238.06284	0.5
239.07040	4.0
245.09654	2.3
247.07619	2.7
248.08330	1.6
249.09135	2.0
251.07047	89.2
252.07481	1.4
253.08554	1.0
254.94753	0.4
255.08038	0.5
262.09854	0.4
263.10684	15.9
265.05334	0.5
265.08588	8.9
265.12122	1.4
266.05762	0.7
267.10156	0.5
273.09088	1.9
276.07791	1.1
279.10193	1.5
281.08423	1.0
281.11719	14.8
281.14920	0.7
291.10153	100.0
292.10489	1.4
294.12637	0.5
309.07617	3.8
309.11188	28.7
309.14862	8.7
309.21985	1.1
309.25296	0.5
327.08881	0.5
327.12280	5.8
334.37613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	7.7
70.06593	2.1
71.95258	0.8
81.03432	0.9
82.06583	0.6
84.08149	4.3
84.96060	0.7
87.64826	0.5
97.96822	1.8
98.97587	100.0
100.07533	0.5
110.97566	7.4
112.99164	3.7
116.98630	21.8
118.60720	0.5
128.07085	1.2
128.98622	6.6
130.08623	0.8
131.00209	2.7
132.82745	0.6
134.99654	2.9
143.00175	2.0
146.08118	0.7
146.99698	1.0
147.11234	0.6
149.01201	0.8
157.98921	1.3
158.99660	16.9
165.00737	0.6
170.99638	4.0
173.01233	61.4
177.00720	12.3
189.00722	5.5
191.02277	18.7
191.04030	1.0
195.01773	0.8
198.01187	0.6
200.02296	0.7
203.02278	8.5
203.04065	0.8
207.01759	3.1
219.01788	7.3
221.03375	4.8
225.12331	1.4
231.01794	1.0
234.02310	1.0
237.02852	6.4
239.04349	0.9
249.02826	11.0
249.05144	0.8
255.03917	3.4
267.03894	14.4
273.14499	1.0
291.03854	3.9
309.04953	5.9
309.08203	0.8
309.16824	0.7
327.05975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.5
55.01862	2.2
55.05515	6.9
56.05033	2.0
56.96568	13.3
57.03442	13.1
57.31164	0.5
58.06598	1.5
59.04993	2.2
59.23051	0.5
60.95840	1.8
61.02923	7.2
64.42300	0.6
67.05503	1.9
69.03433	17.5
70.06580	2.8
71.04996	21.2
71.57829	1.1
71.95260	0.7
72.08174	3.1
73.02927	5.8
73.06552	2.1
77.38245	0.5
80.34715	0.6
81.02972	0.9
81.03423	9.3
81.07071	1.5
82.06583	7.2
83.01308	0.7
83.04967	1.9
84.08145	25.7
84.96020	2.1
85.02908	39.6
85.06545	29.9
85.08932	6.0
86.09698	1.0
87.04478	5.5
89.06035	2.1
91.03948	2.1
95.04936	1.1
96.08111	1.4
97.02894	17.3
97.06540	1.0
97.96847	0.8
98.03136	1.3
98.09693	16.5
98.97588	48.6
99.04456	17.9
99.97919	0.9
100.07619	8.3
100.11269	4.3
102.09183	42.0
102.96854	3.6
103.03960	0.7
104.03094	0.7
105.05510	1.2
108.08097	1.4
109.02895	4.9
110.03112	0.8
110.06020	0.6
110.97576	6.9
111.97982	0.6
112.99129	2.7
113.06028	5.1
115.00676	2.1
115.02233	0.7
115.03918	2.8
116.10717	2.5
116.98624	13.4
117.05508	1.0
120.97943	1.3
124.99122	1.1
126.09161	12.5
127.03906	6.1
127.61355	0.5
128.01633	1.0
128.07040	1.0
128.10742	1.0
128.98596	5.1
129.05403	0.8
131.00189	1.8
131.01817	0.7
131.03651	0.8
131.07047	21.9
133.04980	5.5
134.99622	1.7
138.98987	0.7
140.02284	0.6
140.98642	0.8
143.00165	1.8
144.10204	79.3
144.98044	0.8
145.01688	1.6
145.04993	3.8
145.06000	0.6
146.02658	1.5
146.06091	4.8
146.08118	21.3
146.99646	1.7
147.03214	2.1
147.04431	1.4
148.03868	1.3
152.98540	1.0
155.04665	8.3
155.54865	1.0
158.11760	10.1
158.99666	17.3
159.03288	2.1
161.01190	1.6
161.02887	1.2
161.04646	3.7
163.02788	1.1
164.05226	2.7
166.03838	0.7
169.01669	1.4
170.05154	4.4
170.99628	2.4
171.03326	1.8
173.01300	3.1
173.04674	1.5
173.06485	0.6
175.02713	0.8
175.04317	0.9
175.55956	0.7
176.05145	0.9
176.12831	37.7
177.00697	9.7
177.04332	2.1
177.05847	0.8
178.04860	0.8
181.55986	1.1
182.03462	1.5
182.05171	5.0
182.06975	3.1
183.05962	1.0
187.02777	1.1
188.12843	1.4
189.00719	1.9
189.04356	2.4
190.04826	1.0
191.03949	1.3
191.05653	8.8
192.06581	1.0
195.05376	0.9
201.00688	2.3
201.04282	1.9
203.02286	0.8
205.03740	1.1
205.05513	2.4
206.06442	1.1
219.01790	8.6
219.05238	3.8
219.08931	0.6
227.06702	3.3
227.08588	10.1
227.58803	2.3
228.09456	0.8
230.13866	3.0
234.13379	1.8
237.02803	7.7
237.06393	1.0
242.07301	2.6
248.09213	1.3
249.02821	1.4
254.07440	1.0
258.13348	9.3
262.16443	1.5
263.07883	3.3
276.07458	1.2
276.14389	2.8
290.12622	0.8
290.15900	1.4
291.07382	4.1
295.06973	1.0
308.11679	7.2
308.17017	100.0
308.61456	1.1
309.08530	10.7
309.11951	1.3
309.17371	0.9
321.08490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	13.8
55.01870	2.8
55.05509	9.8
56.05019	2.1
56.96568	52.9
57.03186	2.0
57.03444	23.7
58.06594	3.3
59.05013	10.2
60.95854	1.8
61.02925	17.6
61.29705	1.9
67.05502	2.7
69.03076	3.0
69.03436	54.2
69.07069	3.9
69.81720	10.9
70.06597	12.2
70.98107	2.2
71.01356	2.7
71.04995	17.1
71.95265	3.0
72.08167	12.7
73.02923	18.5
73.06549	7.8
81.03425	18.0
81.07047	4.3
82.06581	22.7
83.04977	8.3
84.04517	2.9
84.08147	31.3
84.96042	9.4
85.02912	97.4
85.03432	4.7
85.06555	22.1
85.08919	4.2
86.03220	3.0
86.09710	4.5
87.04487	12.6
89.06027	3.8
90.01566	2.4
91.03961	5.3
93.07044	1.9
95.04967	4.1
95.08658	2.2
96.08125	2.4
97.02905	42.4
97.32849	2.0
97.96834	1.9
98.03206	2.5
98.09702	10.7
98.21435	2.3
98.97592	100.0
99.04465	18.9
99.97918	2.2
100.07622	22.2
100.11220	4.1
100.99113	2.7
101.06043	2.2
102.09193	31.9
102.96881	3.8
103.03954	2.3
107.04958	3.8
109.02885	13.9
110.09676	3.1
110.97585	17.2
111.10005	2.6
112.07595	7.6
112.99130	7.7
113.05990	6.0
115.00735	2.3
115.03918	4.4
116.10754	2.7
116.98629	40.4
117.03851	3.9
119.01806	5.9
119.04938	2.4
120.08109	2.5
122.07146	2.4
124.07582	2.6
126.09160	8.4
127.03942	22.9
128.01651	8.6
128.07060	5.7
128.10736	2.2
128.98596	10.1
130.08659	11.4
131.00163	9.4
131.07069	13.8
131.96140	3.2
133.01657	3.0
133.04965	4.0
134.91422	2.2
134.99660	9.0
139.03320	2.9
140.00192	2.3
140.02295	2.0
140.98643	3.0
141.05446	3.1
143.00124	8.0
144.09122	3.8
144.10214	56.7
145.01683	4.4
145.04956	12.5
146.02663	6.9
146.04103	5.1
146.06052	27.0
146.08130	69.0
146.99658	7.7
147.03204	5.6
147.04324	2.2
148.03844	2.8
149.01225	5.4
149.96072	1.9
149.97218	2.7
152.98642	2.4
155.04652	34.0
155.54861	3.7
156.03378	5.4
158.08049	2.6
158.11769	7.2
158.99663	32.0
159.03302	3.6
159.06349	3.8
160.03876	2.1
161.01231	7.0
161.04659	4.9
163.02786	2.9
164.05183	9.9
165.08502	2.1
166.03850	2.1
166.55484	4.9
167.06993	3.8
168.03372	4.4
169.04395	2.8
170.05215	3.3
170.99664	7.6
173.01208	8.3
174.04346	6.0
175.02757	4.9
176.05150	2.8
176.12836	19.7
177.00734	24.7
177.04305	4.9
178.04910	4.5
182.03352	3.8
182.06987	2.1
182.53426	2.4
182.99623	2.3
185.01231	2.5
186.04437	6.5
189.00739	7.4
189.04311	5.3
189.05869	2.5
191.02242	5.1
191.03859	3.3
193.03993	2.3
198.04648	8.1
201.00720	5.4
203.02170	2.8
203.03906	2.6
204.05302	4.9
204.12404	2.1
205.03748	3.8
205.05484	3.6
209.05772	2.8
210.58083	7.8
211.05502	3.8
211.08212	2.5
212.04416	2.2
212.06184	12.2
218.06274	6.4
219.01805	27.2
226.57825	2.9
227.06764	19.8
227.08450	2.2
227.56920	2.3
232.11829	3.9
234.07657	2.1
237.02791	24.4
238.03195	2.6
241.06522	2.2
242.07423	3.5
243.07550	2.4
248.07306	6.1
258.13391	4.8
261.02756	3.5
266.13635	2.6
276.14371	5.3
291.07263	11.5
305.04980	2.5
308.13193	7.9
308.17007	64.3
309.08453	20.1
310.28839	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	308.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.4
54.13193	1.8
55.01861	3.7
55.05507	3.7
56.05027	2.5
56.96569	41.3
57.03439	14.5
58.06604	3.5
59.04995	2.8
60.95861	10.5
61.02916	6.9
67.05510	1.8
69.03068	3.2
69.03431	40.4
70.03750	2.5
70.06585	5.6
70.98111	2.5
71.01332	1.6
71.04999	15.0
71.55116	2.0
72.08141	7.3
73.02924	11.1
81.03436	8.9
82.06588	11.0
83.04976	6.2
84.08151	18.9
84.96023	6.3
85.02914	51.3
85.06543	20.5
85.08920	3.5
86.03249	2.7
86.09704	3.3
87.04473	15.6
89.06025	2.5
90.01526	1.6
91.03919	2.1
97.02905	39.1
97.96757	3.3
98.03204	1.8
98.09700	12.6
98.57580	2.0
98.97590	72.6
99.04454	11.7
100.07645	9.3
100.11239	4.5
101.00818	1.9
102.08549	3.3
102.09193	46.9
102.96883	23.1
109.02864	7.1
110.01302	2.5
110.09669	4.5
110.97581	19.3
112.07631	2.1
112.99152	11.4
113.05991	2.5
115.00704	5.4
115.03932	7.6
116.10683	2.1
116.94775	1.7
116.98628	21.4
119.01797	3.2
120.97935	9.0
124.99103	3.5
126.09163	10.6
127.00734	3.1
127.03909	10.5
127.04689	1.5
128.02374	2.6
128.07083	4.0
128.10718	6.9
128.98636	17.6
129.10204	2.1
130.93236	2.1
131.00145	10.3
131.01831	1.8
131.07050	12.0
131.96178	3.3
132.97887	1.9
133.01688	7.4
133.04990	4.3
134.99638	4.1
138.98981	1.8
139.03389	3.4
140.98615	4.1
143.00174	6.6
144.09126	3.2
144.10220	47.8
144.98096	2.7
145.04932	2.5
146.08127	27.1
146.99651	5.1
147.01343	1.7
147.03094	2.3
148.03876	22.8
151.02756	2.0
152.02289	2.1
152.65375	1.6
153.03131	2.2
154.99995	1.8
157.01672	1.9
157.04391	5.0
158.11771	7.8
158.99648	16.6
159.03290	2.8
161.01180	8.1
161.04645	10.3
168.01848	2.4
169.04468	2.4
170.05177	23.0
170.99648	5.6
172.94435	3.4
173.01205	4.9
174.03618	5.7
174.11270	6.7
175.02814	4.8
176.03400	2.3
176.04935	2.0
176.12859	26.9
177.00748	9.9
177.04315	9.9
182.03307	2.8
183.04126	8.6
186.04391	1.7
188.05841	2.6
189.00671	5.3
190.04942	2.5
190.95430	3.3
190.98598	1.6
191.02347	3.0
191.03954	2.9
193.03835	2.0
199.05383	9.7
199.69427	1.8
201.00697	5.9
202.03134	3.2
203.02229	5.9
205.04073	3.8
205.05473	100.0
205.55612	8.4
206.06828	3.8
206.13895	3.1
207.01770	3.0
214.05988	5.3
218.08357	1.7
219.01782	24.7
219.05356	2.7
221.03105	5.8
225.56819	4.7
227.06776	12.7
230.13951	2.9
232.04210	5.2
237.02818	23.6
242.05211	2.6
242.07333	6.4
248.05392	9.4
249.02904	2.5
251.04506	2.1
252.07266	4.9
258.13321	7.1
262.05295	2.2
276.07388	7.7
276.14505	2.1
277.05908	6.4
278.06400	2.0
290.15878	1.8
294.08328	4.2
295.07034	21.5
308.03247	2.2
308.10034	12.0
308.13657	3.4
308.17020	72.9
309.08612	2.1
326.10928	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03938	3.2
55.05517	18.3
57.07079	8.9
58.49942	1.4
59.04988	2.0
65.03963	1.7
66.26457	1.3
66.91628	1.7
67.05511	38.1
69.03425	2.8
69.07076	51.3
69.40065	7.8
69.40485	5.4
71.04992	6.5
71.08649	2.4
79.05505	24.9
81.03417	2.2
81.07066	100.0
83.04990	4.7
83.08625	17.0
85.06548	15.8
91.05485	16.6
93.07059	48.8
95.04967	7.1
95.08616	89.0
97.06538	6.8
97.10187	11.5
99.08106	6.3
105.07043	30.2
105.41998	1.4
107.08603	39.8
109.06544	3.7
109.10169	59.5
111.08083	6.7
111.11713	9.1
113.09642	2.4
117.07021	3.5
119.08598	24.0
120.04088	1.5
121.06527	2.7
121.10160	31.8
123.08070	5.5
123.11721	23.4
125.09624	4.3
127.11194	2.2
131.08583	6.6
133.10155	17.1
135.08084	3.2
135.11713	25.4
137.09659	6.7
137.13249	9.2
139.11212	7.6
145.10112	11.2
147.11693	18.5
149.13280	25.2
151.11249	3.2
151.14861	3.5
155.10641	2.0
159.11716	7.9
161.13298	16.6
162.58737	1.5
163.14874	13.8
165.12767	6.3
165.16411	2.7
173.13289	6.1
175.14851	12.8
177.12709	3.2
177.16429	5.6
179.14317	3.8
179.17865	2.0
187.14871	4.0
189.16383	9.5
191.17969	3.1
195.17465	2.6
201.16377	4.1
203.17934	1.9
207.17615	2.0
215.17958	6.0
216.11803	1.6
216.53752	1.6
221.11690	2.0
233.18919	1.6
245.22815	2.2
250.91490	1.5
263.23621	1.9
271.24243	17.2
289.25290	34.0
307.09570	2.2
307.19049	2.0
307.26337	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03936	2.1
55.05265	1.6
55.05517	23.6
55.57764	1.3
57.03433	3.4
57.07083	9.9
59.04984	2.8
61.50850	1.6
63.90628	1.6
65.03933	1.6
67.05508	33.1
69.03425	4.8
69.07072	65.7
69.07451	3.2
69.92295	6.7
69.92702	2.1
70.71804	1.5
71.04991	6.9
71.08628	2.7
79.05489	23.3
81.03413	1.8
81.07061	100.0
83.04971	4.8
83.08619	14.5
85.02855	1.5
85.06556	15.3
91.05488	11.6
93.07046	42.2
95.04976	17.4
95.08609	81.0
96.08966	1.6
97.06525	8.4
97.10168	8.5
98.97565	1.8
99.04482	1.7
99.08110	9.1
103.03930	2.0
105.07038	26.2
107.08598	45.5
109.06526	5.7
109.09441	2.9
109.10162	44.3
111.07393	1.8
111.08039	7.5
111.11720	14.2
113.09647	2.0
117.07003	3.2
119.08582	19.9
121.10154	28.4
123.08053	5.5
123.11720	22.6
125.09618	4.9
127.03923	3.0
131.08563	5.9
133.10135	15.5
135.07976	2.3
135.11699	42.0
137.09601	9.0
137.13263	11.5
139.11177	11.4
145.10110	8.4
147.11722	16.7
149.09578	2.2
149.13277	22.2
151.11195	5.1
151.14824	3.4
153.12775	2.1
159.11700	11.0
161.13284	15.0
163.11160	2.0
163.14851	10.7
165.12788	6.8
168.04507	1.7
173.13280	5.7
175.14868	8.2
177.16397	6.8
179.14349	3.7
187.14815	3.4
189.16376	7.0
191.18002	3.2
201.16339	2.9
211.60791	1.5
215.17982	4.4
233.18855	3.0
271.24207	11.9
277.25394	1.7
277.49463	1.8
289.25296	25.5
307.09427	2.1
307.23138	1.8
307.26324	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2634
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
52.10336	0.7
52.86877	0.7
53.03945	1.4
55.05513	16.8
56.96567	3.2
57.03442	1.2
57.07079	5.3
61.04993	0.8
65.03941	2.2
67.05511	38.8
69.03423	1.7
69.06715	1.5
69.07074	24.1
71.04985	2.6
71.08640	2.4
71.49111	1.1
73.06547	0.9
79.05495	12.5
81.03418	0.9
81.07063	94.8
83.04996	1.4
83.08624	12.8
85.06557	2.2
91.05483	4.3
93.07051	16.9
95.04974	4.0
95.08614	100.0
97.02931	0.9
97.06539	2.9
97.10188	9.0
98.97590	3.3
99.04442	1.0
99.08113	1.2
105.07042	8.5
107.04958	1.4
107.08599	13.6
109.06506	3.6
109.10167	62.8
110.09673	3.0
111.08056	4.2
111.11724	4.1
113.06013	0.7
116.98641	1.8
117.07017	1.8
119.08595	6.0
121.06516	2.6
121.10150	9.9
123.08104	1.5
123.11718	27.2
125.09602	1.7
125.13303	1.7
127.07561	0.8
127.11183	0.8
131.00148	0.8
131.08572	1.8
133.10147	6.0
135.08105	1.2
135.11703	7.4
137.05991	1.0
137.09633	2.1
137.13254	10.6
139.11159	1.4
145.10175	4.3
147.11705	3.7
149.09648	1.5
149.13264	5.3
151.11212	3.3
151.14830	8.0
157.07660	1.0
158.99664	1.1
159.11719	3.5
161.13284	3.7
163.11185	1.5
163.14841	3.4
165.12759	2.4
165.16415	1.3
173.13217	1.3
175.14932	2.3
177.00729	1.5
177.12691	0.8
177.16454	2.4
179.14255	1.3
179.17969	1.2
181.12315	0.8
186.05888	1.1
187.14940	1.4
189.16370	0.9
191.17941	1.8
193.15967	1.3
201.16499	1.4
205.19531	0.9
209.15378	1.4
215.17926	1.5
219.17467	1.0
223.16907	1.3
237.18474	2.3
251.20155	1.0
271.24222	2.5
275.16241	0.8
289.08542	1.3
289.18085	1.4
289.22589	1.2
289.25272	5.8
307.06522	0.9
307.09720	2.5
307.13049	2.1
307.19095	2.3
307.26465	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.43178	4.7
53.03948	4.9
55.01873	7.6
55.05515	32.3
56.21236	4.2
57.03437	37.3
57.07065	5.0
65.03946	4.1
67.05511	45.2
69.07063	26.3
70.22868	7.8
70.23250	14.7
71.05000	5.4
71.08633	4.4
79.05506	62.4
81.03424	4.3
81.07066	63.3
81.86217	4.8
83.04987	8.3
83.08615	13.0
85.06543	15.7
91.05489	56.4
93.07055	72.9
95.04980	22.2
95.08610	43.1
97.06524	13.3
97.10184	9.9
98.20812	4.8
99.08104	4.1
105.07043	70.7
107.04957	5.8
107.08605	51.9
109.06536	43.6
109.10175	14.5
111.08095	5.0
112.50667	4.4
115.05464	4.3
117.07053	24.5
119.08591	52.5
121.06485	8.4
121.10118	25.0
123.08056	14.3
123.11748	5.3
125.09661	8.6
131.08591	33.6
133.10146	33.5
135.08131	10.4
135.11702	10.8
137.06001	8.6
137.09636	12.4
139.66327	3.7
143.08565	12.8
145.10127	28.4
147.11700	28.0
149.09605	17.3
149.13271	6.2
151.11263	5.1
157.10210	10.8
159.08086	4.4
159.11688	25.0
161.13234	12.9
163.11214	11.5
165.12785	47.1
169.10226	8.2
173.13268	10.6
175.14900	5.8
177.12833	7.5
183.11714	6.9
185.13289	24.7
197.13228	4.4
201.16441	10.7
203.12712	7.0
203.14354	27.1
219.17459	100.0
227.95288	4.2
229.19637	4.6
235.16972	21.3
239.17969	15.3
257.19006	25.7
275.20090	97.4
275.23074	5.6
288.85019	4.0
289.21597	32.8
300.53745	4.4
307.09561	6.5
307.13077	5.1
307.22711	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.72738	1.0
53.03950	2.5
55.01853	2.3
55.05266	2.0
55.05516	24.7
56.96550	1.6
57.03424	3.2
57.07082	11.0
59.04994	2.4
65.03936	1.8
67.05510	37.4
67.77850	1.0
69.03444	2.7
69.07073	53.9
69.07451	2.8
69.29479	1.3
69.30554	10.7
71.05005	5.6
71.08635	2.5
76.88102	1.3
77.03874	1.1
79.05065	1.4
79.05499	23.1
81.03407	3.3
81.07063	100.0
83.04980	5.1
83.08633	19.0
85.02888	1.8
85.06541	16.6
87.04444	1.2
91.05490	15.2
93.07048	44.6
95.04973	16.7
95.08614	92.9
97.06546	9.3
97.10166	11.1
98.21525	2.2
98.97570	1.2
99.08100	11.1
105.07042	25.6
107.08601	36.6
109.06540	6.4
109.10162	46.6
110.09659	2.0
111.08079	9.9
111.11728	7.1
113.09615	3.0
117.07036	4.3
119.08598	23.2
121.06509	4.3
121.10151	37.6
123.08069	6.7
123.11722	23.0
125.09644	5.2
127.03862	1.7
129.12772	1.2
131.08577	8.5
133.10155	15.7
135.08069	4.3
135.11696	29.0
137.09645	6.5
137.13260	8.0
139.11180	7.1
145.10141	10.8
146.13753	1.3
147.11690	19.6
149.09639	2.1
149.13257	21.9
151.11201	4.7
151.14853	2.3
153.12747	2.8
155.10701	2.8
158.84875	1.1
159.11723	7.7
161.09654	1.3
161.13284	13.1
163.11221	3.9
163.14824	12.2
165.12810	5.4
165.16429	2.1
171.11836	1.2
173.13235	5.4
175.14876	9.5
177.12743	3.4
177.16402	4.1
179.14310	4.3
187.14830	5.7
189.16425	6.6
189.17863	1.2
191.18024	2.5
193.15932	1.9
201.16406	4.4
203.17998	3.2
205.16008	1.4
205.19618	1.8
207.17401	2.1
209.19009	2.4
215.17856	5.2
219.17580	1.8
229.19611	1.3
231.21130	1.5
233.18898	1.2
245.22687	2.9
251.23744	1.3
263.23859	1.1
265.97354	1.1
271.24237	15.7
277.25360	2.0
289.10703	1.2
289.18146	1.8
289.22009	1.9
289.25259	30.9
307.09677	7.5
307.19022	1.8
307.26346	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93478	2.9
53.03941	5.5
53.36842	2.8
55.01868	14.9
55.05260	4.4
55.05516	68.8
57.03465	5.7
59.41200	3.2
59.71516	3.8
63.22600	3.1
67.05517	43.6
69.07068	14.7
69.30553	31.4
71.05006	3.8
78.60454	2.9
79.05501	100.0
81.03406	3.7
81.07069	42.1
83.04966	22.3
83.08632	28.3
91.05491	41.2
93.07061	47.1
95.04971	7.6
95.08628	22.8
97.06560	9.2
97.10170	58.2
103.98459	2.8
105.07041	41.1
107.04973	33.5
107.08608	79.4
109.06551	4.8
109.10158	18.5
111.08116	6.1
117.07051	13.0
117.30743	3.5
119.08586	24.4
121.10157	13.8
123.08069	6.0
123.11712	9.1
125.09649	68.7
131.08589	17.8
133.10139	30.3
135.08081	23.8
135.11671	7.2
145.10132	13.9
147.11716	15.7
149.08554	5.6
149.09644	77.0
149.48483	3.5
153.09105	19.2
157.12213	7.0
159.11713	6.8
161.13211	7.1
163.14893	4.9
169.12236	6.0
173.13304	5.7
177.12741	3.3
187.13412	3.7
203.12816	46.2
209.15393	4.7
219.17590	4.9
229.19545	7.0
257.19022	10.4
275.20081	48.2
307.22656	7.7
309.39520	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	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.89391	0.8
53.03942	2.4
53.58985	0.8
55.01880	3.8
55.05261	0.9
55.05516	17.3
56.96565	2.1
57.03448	1.7
57.07072	3.5
59.04995	3.5
65.03941	1.6
67.05167	1.5
67.05511	25.7
68.87602	0.8
69.03426	1.8
69.07075	17.9
69.90230	3.8
71.05003	8.1
71.08624	1.1
73.06552	2.5
76.28284	0.8
77.03918	1.6
79.05499	27.2
81.03418	0.8
81.07066	36.9
83.04980	3.5
83.08627	9.4
85.02905	0.9
85.06548	3.7
87.08122	0.8
91.05490	33.3
93.07053	29.8
94.04141	1.8
95.04972	6.4
95.08620	28.0
97.06539	8.6
97.10184	5.2
98.97615	1.8
99.08115	3.1
103.05496	1.2
105.07043	40.4
107.04948	1.3
107.08604	20.1
108.05757	1.3
109.06529	19.0
109.10167	17.3
110.07312	1.3
110.09667	1.1
111.04407	0.9
111.08069	4.8
115.05440	1.4
116.98651	1.0
117.07030	11.3
119.08592	28.7
119.09450	1.4
121.02863	1.6
121.06525	6.9
121.10157	16.2
123.08088	12.0
123.11713	6.4
125.09652	2.4
129.07028	2.3
131.04958	1.4
131.08588	12.8
133.06482	0.9
133.10149	19.8
135.08073	7.1
135.11670	7.2
137.09628	12.4
137.13254	2.8
139.11217	2.1
141.06979	1.6
143.08563	2.7
145.10130	11.7
147.08067	2.2
147.11693	14.2
149.09621	7.8
149.13290	4.1
151.11194	19.1
151.14745	1.2
153.09096	1.1
155.08566	2.0
157.10162	2.9
159.08067	1.2
159.11670	7.9
159.12643	0.7
161.09668	1.6
161.13266	6.3
163.11201	13.5
163.14833	2.0
165.12755	9.5
169.10156	2.5
171.11725	2.3
173.09668	1.0
173.13289	5.9
175.11250	1.0
175.14902	1.7
177.12711	3.8
179.14320	3.3
181.12355	0.9
183.11705	2.3
185.05788	0.8
185.13268	1.6
187.14844	2.3
189.12808	1.9
191.14297	2.6
195.13878	1.1
197.13268	3.4
205.15921	1.0
211.14856	1.3
213.05688	0.9
213.16415	1.5
215.14325	1.5
217.15985	1.0
229.19569	6.7
239.18068	9.6
247.20583	5.1
257.18976	10.4
257.21164	1.0
265.18115	1.0
267.80731	1.0
275.20084	44.7
277.21707	0.8
287.08212	0.8
289.08618	1.3
289.21893	2.0
289.25229	2.4
307.09753	3.9
307.22751	100.0
307.26312	14.7
308.22943	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26378	0.4
53.03943	1.0
55.01880	0.7
55.05512	2.6
56.96567	0.6
57.07081	0.8
67.05499	3.7
69.03430	2.1
69.07076	3.9
69.41187	2.1
69.41619	1.8
70.06580	0.6
73.06564	2.5
77.03929	0.5
79.05486	3.1
81.03412	1.4
81.07060	9.3
82.06582	0.4
83.04983	0.6
83.08597	0.8
85.02872	1.0
85.06537	2.4
90.89865	0.5
91.05466	2.8
93.07052	5.2
94.06568	0.7
95.04988	1.2
95.08615	7.3
96.08121	0.7
97.02876	0.8
97.06534	0.6
97.10171	1.0
98.97597	0.8
99.04447	0.8
103.03923	0.8
105.07025	2.9
107.08598	3.8
108.08154	1.3
109.02825	0.6
109.06525	1.0
109.10159	3.0
110.09710	2.3
110.78381	0.5
111.08096	1.2
116.98647	0.8
119.08604	2.4
121.10137	2.9
122.06058	2.7
123.06824	1.4
123.08086	1.0
123.11700	2.2
124.07600	7.6
125.09599	1.1
126.05465	0.6
126.09164	4.8
127.03906	1.5
131.08543	0.8
133.10138	1.9
135.08044	0.6
135.11725	1.9
136.07582	60.4
137.13252	0.7
138.09145	58.6
140.07065	1.3
145.10149	1.6
147.11685	1.1
149.09624	0.9
149.13263	2.0
150.05486	0.5
151.11177	0.7
152.07076	17.1
153.07349	0.6
158.06036	0.5
159.11713	1.6
161.13249	1.4
163.14911	0.7
164.07074	100.0
165.07394	0.6
165.12712	0.6
170.08124	2.8
173.13304	0.9
175.14868	1.0
182.08141	20.5
182.09763	1.0
197.13327	0.5
224.51366	0.5
235.05994	0.7
249.22144	0.6
270.05154	0.6
285.07544	1.2
289.15460	3.4
289.25266	1.8
307.09271	0.7
307.16000	1.0
307.19061	1.7
307.26184	3.3
328.82993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1329
Annotation	nigerapyrone A
Peak:m/z	Relative Intensity
50.32217	0.8
53.03925	1.1
55.01865	2.1
55.05521	4.2
56.96559	3.5
57.03444	4.9
59.04985	1.1
65.03931	1.4
67.05512	7.7
69.07062	3.2
69.44909	5.7
71.04968	0.8
72.08154	0.9
73.06541	0.9
79.05501	7.0
81.07063	9.9
83.04996	5.1
83.08603	2.4
89.06029	0.9
91.05481	19.7
93.07049	6.1
95.04968	3.3
95.08622	5.0
97.06521	1.8
97.10173	0.8
98.97587	1.2
99.08107	1.4
103.05486	6.8
105.03374	3.1
105.07047	8.2
107.04942	6.4
107.08604	5.0
109.06514	4.6
109.10149	2.9
110.09676	2.6
111.04420	2.1
115.05448	2.0
117.07026	3.5
119.04908	1.3
119.08606	5.4
121.02902	0.9
121.06528	1.7
121.10117	2.5
121.98339	0.9
123.04379	1.0
123.08073	2.3
123.11698	1.3
128.06230	2.1
129.06998	4.6
131.04938	3.7
131.08568	3.2
133.06439	1.5
133.10095	3.2
135.04411	0.9
135.08038	2.9
135.11682	1.5
137.05992	8.9
137.09610	1.3
138.06293	5.2
141.06978	4.2
142.07742	1.1
143.08586	1.7
145.06490	1.8
145.10135	3.2
147.04369	2.1
147.08124	1.4
147.11707	1.6
149.09644	1.1
152.06198	1.1
153.07014	1.3
155.08604	4.2
157.06458	1.1
157.10112	1.1
158.07188	0.9
159.04433	7.5
159.08041	5.1
159.11708	1.8
161.05989	3.1
161.09654	0.8
163.07516	1.0
163.11192	0.9
165.07004	2.6
165.09123	0.9
165.12758	1.6
166.07793	2.4
166.13144	1.1
167.08597	1.5
169.06483	1.5
169.10172	1.1
169.61230	0.9
171.08017	1.5
171.11697	1.2
173.05977	2.4
173.09615	3.7
173.13190	0.8
174.06789	1.9
175.03922	4.2
175.07651	0.9
177.12801	1.4
178.07753	2.6
179.08556	3.5
181.06508	1.7
181.10089	1.4
183.08070	5.8
183.11813	1.0
187.03932	10.6
187.07529	6.8
189.09114	8.6
190.46349	0.8
191.08560	2.7
192.80545	0.8
195.46541	0.8
197.13303	1.0
199.54468	0.8
201.05487	6.2
201.09129	10.1
203.03337	1.4
203.08591	1.9
207.08125	3.7
209.09662	3.8
211.07501	3.9
211.91771	0.8
214.06262	0.8
216.07922	1.0
217.10110	0.9
219.08090	1.8
225.09154	1.5
228.09373	1.0
229.08609	20.8
229.19577	0.8
231.08145	1.3
233.09627	1.2
233.13226	1.1
233.15413	2.4
235.07549	3.7
237.09116	3.9
237.12772	0.9
243.06516	2.2
243.11638	1.2
245.09555	1.2
246.10500	1.4
249.09067	1.5
250.09868	1.0
251.10609	1.5
253.08615	11.6
259.07590	0.9
261.09262	0.9
261.12756	1.3
261.18451	1.6
263.07062	1.2
264.07684	1.0
265.08600	4.5
271.16998	1.6
274.09848	2.7
275.20148	3.6
277.08603	2.3
279.10077	2.1
279.13809	4.1
289.12244	3.5
289.17935	3.6
292.10907	2.3
299.08981	1.1
302.07751	1.3
307.06006	2.6
307.09900	6.1
307.13278	100.0
308.13474	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61324	0.9
71.56744	1.8
85.67651	1.1
99.09209	3.0
112.85087	0.9
122.33442	0.9
143.08128	1.4
146.62354	0.9
157.03455	1.1
196.66576	1.2
274.32974	1.0
307.10010	100.0
308.10236	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1288
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01884	1.9
61.30894	0.4
62.59806	0.4
69.07066	0.7
71.14425	0.8
71.14771	0.5
74.46295	0.4
77.32165	0.4
77.50771	0.4
79.05478	0.5
93.07046	0.6
94.06565	0.7
96.04505	0.4
98.06042	0.8
106.06558	0.5
107.08605	0.8
108.04487	1.1
110.06030	0.4
120.04457	0.4
122.06037	2.4
122.06812	0.3
123.04427	0.6
124.07577	0.8
132.08083	0.6
134.06059	0.4
135.08078	2.3
135.32834	0.4
136.07578	1.1
138.05452	0.4
139.06285	0.4
140.07106	1.9
146.09579	0.6
150.09186	0.9
156.08102	0.6
157.06485	0.4
159.08066	0.6
159.09247	0.5
160.07605	2.4
162.09160	0.6
163.08672	1.0
164.07076	0.5
166.02222	0.4
168.06540	2.6
170.06050	0.7
173.10757	0.7
174.09109	2.9
176.07039	0.5
176.10744	0.5
177.10326	1.8
178.08643	16.1
182.08127	0.6
184.07562	2.0
186.09225	0.6
187.08688	1.5
188.07066	3.4
188.10797	0.7
189.10188	0.5
190.08673	0.5
191.08205	0.9
196.09775	0.7
198.09155	2.1
200.07079	0.4
201.06578	0.9
201.10242	3.3
202.08626	5.5
204.10194	0.7
205.09753	4.3
206.08154	2.8
212.07039	1.1
215.08195	0.7
215.11778	0.8
216.10251	3.3
216.12157	0.5
217.09665	0.5
219.07860	1.8
219.11317	5.4
220.09679	1.9
225.10010	0.5
226.08649	3.0
229.09749	5.8
230.08109	3.4
243.11313	2.2
244.09749	4.3
246.11313	0.5
247.10811	11.8
248.09196	0.8
254.08121	1.0
261.12350	1.5
262.10736	1.9
265.11844	14.2
271.10788	1.9
272.09207	1.6
289.11832	18.6
290.10208	0.8
307.12894	100.0
308.13171	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69787	1.7
56.96566	10.6
61.02914	2.0
62.64327	1.9
63.00818	1.8
69.03419	4.8
69.98393	1.8
71.07401	4.0
80.52351	1.9
81.03422	2.2
83.04969	2.0
84.96029	2.7
85.02901	6.9
97.02894	2.4
98.09734	2.3
98.97583	17.1
100.07598	2.8
100.99104	2.5
101.00901	2.7
104.10753	3.4
110.97587	6.8
112.07555	3.7
112.30804	1.9
114.46148	1.8
115.24202	2.1
116.98621	8.4
119.01897	3.9
128.98578	3.0
130.08632	2.1
131.00189	4.9
131.01921	3.9
132.10184	2.1
138.05530	2.5
143.00139	2.3
145.03561	2.1
155.01840	2.5
156.97998	2.5
157.03482	2.8
161.02925	2.5
174.11310	4.9
175.11612	4.0
188.45059	2.0
203.04012	3.0
219.01747	5.3
221.05103	2.2
237.02841	5.2
248.14012	2.3
253.07805	3.2
279.09048	2.1
283.28983	2.2
307.10226	100.0
307.18777	6.6
325.07983	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18071	1.0
55.71103	1.1
56.96572	48.5
57.03432	1.8
69.39138	1.0
70.98126	2.8
71.54711	1.6
71.95265	2.0
73.02924	2.7
74.97600	1.5
82.06573	1.6
84.96037	4.7
97.02914	3.4
97.96799	2.6
98.97595	92.9
99.97961	1.6
100.97169	1.1
101.00896	4.7
110.97597	6.9
111.68724	1.0
111.86353	1.0
112.72091	1.0
112.99134	4.3
114.03797	1.3
116.98635	34.3
119.01927	6.4
121.23428	1.1
124.99139	1.9
128.98599	8.3
130.93294	2.1
131.00169	5.6
132.99905	1.1
133.03494	2.2
134.99702	10.6
137.02924	1.4
140.98671	1.8
143.00179	3.3
144.98106	2.5
145.01694	1.7
145.03506	1.6
145.95277	3.1
146.99652	5.6
149.01268	2.8
154.93314	1.6
156.98111	3.1
157.03479	4.8
158.92755	1.3
158.99672	10.2
159.03305	1.3
161.01251	3.9
161.02951	1.5
162.99176	1.9
165.00713	1.9
168.98131	3.1
170.99728	1.7
172.94380	4.6
173.01250	3.3
173.02907	1.1
174.97672	2.1
174.99146	13.3
175.04549	4.1
176.93701	1.6
177.00873	19.6
182.99727	1.6
186.99174	4.9
189.00702	3.5
190.95386	3.3
191.02332	2.1
193.00240	19.8
194.94696	1.5
201.00842	3.7
205.00218	15.1
207.01715	1.5
211.01341	3.5
211.06584	1.2
214.95465	1.4
217.00249	15.4
217.04079	2.2
219.01979	21.4
223.01299	4.3
225.00870	2.0
228.90141	1.7
231.02025	1.3
232.96556	2.4
235.01279	25.6
236.90601	1.3
237.02887	3.6
243.01991	12.4
246.08105	1.4
247.01259	3.3
250.97301	1.4
253.02426	2.1
254.91576	2.0
261.03107	100.0
262.03436	1.8
264.95322	1.4
265.02271	5.5
274.97565	1.8
277.02216	1.3
283.03204	1.9
284.04648	3.1
288.92130	1.5
296.92651	3.9
307.03357	2.5
307.12106	2.8
314.93680	3.7
324.92163	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10621	0.2
53.98185	0.2
58.02974	0.2
62.09018	0.2
65.03926	0.3
66.04732	0.2
67.05498	0.4
69.07076	1.4
69.85941	0.6
69.86354	0.6
71.09814	0.2
74.46836	0.2
79.05506	0.6
81.07040	0.8
91.05476	0.3
93.07053	0.5
94.04195	2.2
95.08628	0.3
97.06546	0.5
98.21545	0.2
105.07056	0.2
107.04929	0.3
107.08603	0.8
109.10152	0.7
114.09124	0.5
121.32453	0.2
122.03653	6.7
126.09138	0.6
133.10141	0.9
135.11717	1.0
137.05983	100.0
138.06325	0.4
141.53217	0.2
151.11201	0.4
153.12741	0.9
165.12724	0.2
170.15445	2.2
182.15442	2.7
306.08252	0.3
306.20639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1598
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.03931	4.7
55.01871	6.0
55.05501	14.2
56.96547	12.0
57.03435	8.2
57.07065	8.5
60.08156	9.9
61.02910	4.7
67.05492	5.5
69.03436	21.1
69.07067	5.1
69.81537	6.5
69.81947	14.6
70.06566	6.8
71.04993	40.7
72.08154	5.8
73.02908	4.1
73.06551	7.5
73.27030	4.0
77.38635	3.6
79.05490	13.6
81.03402	11.1
81.07056	14.1
81.15773	3.1
82.06573	5.3
83.04974	13.9
83.08612	6.0
84.04504	7.9
84.08135	5.6
85.02912	36.1
85.06537	17.0
85.88309	3.8
87.04453	4.6
88.04018	3.9
89.23325	3.3
91.05474	11.7
93.07048	4.9
93.74051	3.8
94.06570	8.8
95.04966	15.1
97.02878	16.4
97.06553	4.7
97.10167	16.6
98.97585	24.1
99.09231	5.4
105.07020	6.1
107.03833	4.0
107.08608	50.1
108.08103	12.6
109.02924	5.6
110.06066	5.2
110.97562	6.4
111.04446	4.3
116.98611	8.1
118.06526	7.8
119.07313	6.4
120.08109	10.4
121.02844	4.2
121.06483	5.6
122.06034	7.0
123.04457	5.8
123.53264	3.6
124.07606	11.5
124.30275	3.6
125.06079	4.4
125.09629	100.0
126.09177	7.9
127.03911	10.5
128.98604	4.3
129.06973	3.8
130.06522	6.6
136.07588	80.8
137.05994	6.6
141.10228	42.0
142.08659	7.8
143.08138	4.0
143.10677	87.3
144.04776	5.9
144.08072	4.8
144.10205	10.8
145.04962	5.5
146.06049	7.8
147.04388	22.0
148.07565	4.2
149.02365	7.3
149.06064	4.3
153.01874	4.8
156.08051	4.3
157.07629	4.2
158.06029	9.9
158.99681	6.9
160.07475	3.6
164.07053	30.0
167.10718	13.8
173.01230	4.1
173.07121	7.6
175.11220	4.2
177.05537	3.9
182.06055	8.0
200.07047	6.1
201.10234	4.5
213.13885	4.4
218.08394	3.8
225.10361	4.7
226.11040	6.0
228.06433	5.0
237.02846	5.4
241.05034	4.0
241.09747	4.1
241.13440	17.9
246.07632	16.7
254.10510	4.4
259.06192	5.0
259.14438	24.0
269.12790	29.8
287.10608	5.9
287.13916	32.9
290.55774	4.4
305.11243	12.7
305.14941	60.3
305.20685	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	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49513	0.4
52.99152	0.5
53.03948	1.9
55.01878	0.4
55.05510	2.6
55.06647	0.4
57.03453	0.5
57.07073	0.9
59.04961	0.5
60.26099	0.4
65.03944	1.1
67.05508	4.4
69.03430	1.2
69.07075	3.7
69.46381	3.3
70.06604	1.1
71.04998	0.7
74.99337	0.4
77.03931	0.7
79.05495	3.4
81.03427	1.8
81.07062	10.1
82.95974	0.5
83.04988	1.1
83.08606	1.3
83.56210	0.4
84.08209	0.5
84.30771	0.5
85.06539	2.3
85.40235	0.4
88.38186	0.4
89.79720	0.5
91.05483	6.1
93.05794	0.6
93.07043	7.3
94.06573	0.9
95.04975	4.3
95.08611	6.6
96.08168	0.8
97.02881	0.5
97.06539	2.0
97.10133	0.5
98.20750	1.0
98.97575	2.4
99.04460	0.6
99.08121	0.8
105.07029	4.0
107.08601	4.4
108.08131	1.9
109.02850	0.5
109.06518	1.6
109.10150	3.7
110.95242	0.4
111.08082	1.5
111.11697	0.7
112.03758	0.4
112.07601	0.6
117.07053	0.7
119.08589	3.2
121.06509	1.0
121.10161	4.3
122.06047	4.2
122.58245	0.4
123.11712	2.1
124.07591	8.0
125.09624	0.9
126.05512	1.0
130.06613	0.6
131.08589	1.6
133.10155	3.0
133.73460	0.5
135.08032	0.9
135.11696	2.0
136.07582	100.0
137.05898	0.5
137.07970	0.7
137.09581	0.8
137.13283	0.6
139.11247	0.9
140.07050	1.4
143.08479	0.7
145.10101	1.1
147.11665	2.3
149.09631	0.6
149.13249	1.6
152.05852	0.9
152.07076	16.5
157.10155	1.2
158.06018	1.6
158.99640	0.8
159.08092	0.5
159.11676	1.9
161.13275	1.3
162.03105	1.5
162.05591	0.5
163.11226	0.8
164.07076	75.3
164.52306	0.5
165.12717	0.8
170.08138	4.0
171.11624	0.6
173.01222	1.0
173.07169	0.6
173.13297	0.8
175.14859	0.7
177.05476	8.0
182.08136	15.1
185.13219	0.6
189.16376	0.6
199.14922	0.6
201.16446	0.7
241.08473	0.8
241.13371	0.7
259.09900	0.5
269.12665	0.7
269.22665	0.6
287.09058	1.1
287.13782	4.5
287.23581	2.1
292.42484	0.5
305.05450	4.1
305.11026	0.6
305.14648	1.3
305.17694	1.0
305.24710	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	305.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.1
55.05510	1.0
55.56581	0.5
56.96569	25.3
57.03434	1.5
57.88621	0.5
58.06600	1.4
59.05020	0.7
61.02924	0.8
61.44648	0.6
64.67884	0.5
67.05506	1.0
69.03423	2.4
69.07076	1.6
69.49731	4.3
70.06592	0.9
70.98119	4.7
71.05006	3.0
71.95254	1.4
72.04519	1.1
72.08146	2.1
72.96011	0.9
73.02911	1.3
73.08496	1.0
74.97614	0.5
80.04990	0.7
81.03420	2.2
81.04549	4.3
82.06615	0.7
83.04981	1.0
84.08144	1.4
84.96022	2.9
85.02908	4.3
85.06554	3.2
86.06885	0.9
87.04498	0.7
88.99167	1.4
91.05450	1.4
92.60974	0.5
95.04978	1.3
95.06104	2.6
97.02871	2.8
97.64427	0.6
97.96854	0.7
98.06062	1.2
98.09687	1.1
98.20727	0.8
98.97593	39.5
99.04454	1.1
99.97898	2.9
100.07598	1.0
100.15525	0.6
100.99193	0.6
101.00896	0.9
102.09196	7.2
102.96874	0.8
103.08823	1.2
103.09534	4.2
109.02904	0.8
110.97579	4.3
111.04523	1.2
112.07620	6.6
112.99133	2.3
113.05999	2.9
113.07958	1.9
114.06331	0.7
115.00718	1.1
116.07108	2.4
116.98643	12.5
117.98974	1.4
119.01835	1.1
119.04944	1.6
124.03970	1.4
124.95493	1.4
124.99133	1.9
125.07119	5.1
126.09167	0.9
126.97124	0.7
127.00679	2.1
127.03951	0.7
128.07042	0.9
128.10680	0.5
128.98615	4.7
129.05524	0.6
130.08669	3.0
130.93271	0.8
131.00166	2.1
131.09000	1.0
133.01743	0.9
134.99683	2.7
137.05988	2.3
138.05486	0.6
140.07071	0.9
140.98605	1.0
141.02235	0.8
141.06593	2.3
142.57240	0.6
142.96536	1.0
143.00195	2.5
143.01906	0.8
143.07002	1.1
143.08160	19.1
144.13855	1.2
144.98019	0.7
145.01741	3.2
145.03474	1.1
146.91905	2.7
146.99675	2.3
147.04417	2.7
149.01225	1.1
150.09193	1.1
155.01852	0.6
156.98109	1.2
157.01764	1.8
157.05002	0.7
158.04903	1.0
158.11763	1.9
158.99687	4.7
159.03401	0.8
159.05219	1.1
160.97646	0.8
161.01280	2.2
161.06721	1.2
163.02789	1.4
164.10759	0.7
164.92934	1.1
165.00790	1.2
168.10217	1.0
170.96031	1.4
172.09727	0.6
172.94357	1.5
172.97614	1.3
173.01257	1.2
173.06245	0.7
174.99165	2.9
175.02789	1.3
176.05994	0.9
177.00754	3.2
177.04356	0.7
177.06116	0.6
179.02330	0.8
182.11824	1.2
184.09729	0.8
185.06712	1.6
185.10101	1.1
188.97099	1.7
189.00740	2.5
189.04378	1.4
190.95413	1.2
190.98705	0.9
191.02271	0.9
192.10220	1.0
193.00195	2.1
199.02838	1.3
200.03186	1.8
201.00777	0.8
202.07555	0.9
202.10744	0.8
202.98694	1.6
203.02289	2.1
203.04030	0.8
203.07771	2.4
203.11127	1.2
204.09093	0.7
205.00299	1.5
205.09438	1.0
207.01811	1.0
207.05241	1.0
208.04897	2.9
210.11229	1.9
215.05765	0.8
215.07704	1.6
217.03873	1.5
218.04216	1.2
219.01842	2.7
220.99844	1.4
224.06226	1.0
228.12292	3.5
230.98207	2.4
231.01814	0.8
232.96635	0.8
232.99548	0.8
235.04921	2.4
237.02782	1.4
244.99753	1.7
245.03171	1.1
246.13443	11.0
248.08217	1.0
248.99229	0.6
249.08429	1.5
256.96497	0.9
259.04758	1.0
260.15012	1.4
263.00894	2.3
263.10089	1.5
272.08112	0.7
273.08453	5.9
277.05850	0.7
278.06320	1.1
281.01801	1.4
281.11179	0.8
281.22968	0.6
291.09558	2.9
296.08429	5.4
305.12082	100.0
305.19498	4.8
309.08530	1.0
322.91943	1.1
323.06589	1.2
323.12207	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	305.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
67.05515	3.1
68.99796	1.3
69.07068	3.9
69.37631	10.1
74.49525	1.1
79.05488	4.3
79.79336	1.2
81.07062	8.3
81.56137	1.4
83.08628	1.8
84.07242	1.1
87.00835	3.2
87.04440	1.3
91.05497	2.3
93.07059	6.0
95.04961	1.3
95.08607	6.4
98.97583	6.5
105.07057	3.0
107.08605	3.5
109.10168	4.5
112.99191	1.3
115.05496	5.0
118.06557	1.6
119.08614	2.1
121.10157	4.1
123.11760	1.4
125.81425	1.4
129.07024	2.3
130.06537	44.5
132.08098	37.7
132.85176	1.3
133.10147	3.0
135.11678	2.4
142.06540	13.0
143.07310	2.4
145.02861	3.4
145.10074	1.8
147.11722	1.6
149.13301	1.7
154.06570	1.8
156.08069	4.7
157.07620	6.4
158.06039	2.6
158.08429	5.3
159.09187	98.2
160.07591	33.5
161.13162	1.2
163.11372	1.1
167.05997	1.4
169.07613	4.9
170.06026	39.7
175.03941	1.3
177.05501	5.1
181.07596	3.2
183.09181	6.5
184.07578	16.9
185.07109	50.0
187.08664	6.4
199.08713	2.2
200.07069	8.5
201.10202	17.2
202.08629	37.4
209.07050	3.3
219.11366	1.2
227.08163	50.6
243.11292	2.1
245.09236	100.0
246.09457	1.6
255.07661	5.8
269.09247	1.9
273.08737	10.3
277.08713	1.3
287.10345	2.8
287.23526	1.7
305.05328	1.7
305.11127	1.3
305.24817	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	305.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03251	0.2
55.01882	0.3
56.96557	0.4
65.03949	0.3
67.05497	0.7
68.99790	0.4
69.03431	0.4
69.07069	0.4
70.71541	0.3
70.71876	0.6
71.01342	0.2
71.04984	0.5
79.05476	0.5
81.03406	0.3
81.07039	0.8
83.04990	0.3
84.04484	0.3
85.02908	0.9
85.06535	0.3
87.00826	0.3
91.05486	1.7
93.03392	0.3
93.07055	0.6
95.04986	0.5
95.08626	1.0
97.02929	0.3
97.06561	0.3
98.97585	2.3
103.05454	0.4
105.07034	0.4
107.04939	0.4
107.08611	0.4
109.06547	0.3
111.04462	1.3
112.99132	0.6
116.98618	0.8
119.04954	0.6
119.08510	0.3
121.06476	0.3
123.04452	4.0
123.11709	0.3
125.06013	0.7
128.06139	0.2
129.05493	3.0
129.07001	0.9
130.05023	0.3
130.06543	6.8
131.00203	0.3
131.04964	0.2
131.08629	0.5
132.04446	0.3
133.02789	0.3
135.04425	0.4
137.02405	0.3
137.05994	1.2
139.03908	1.4
140.07098	0.2
141.05466	0.4
141.06999	0.3
141.62332	0.2
143.08444	0.2
145.06514	0.4
146.06004	1.6
147.04419	100.0
148.04784	0.7
149.02357	0.4
149.05989	0.3
153.01842	1.0
156.04443	0.8
157.05000	5.9
157.06421	0.6
158.06035	6.4
158.99681	0.8
160.05208	0.9
161.05995	0.4
161.09573	0.3
163.03951	0.3
164.10678	0.3
165.09090	0.4
167.07048	0.3
171.07997	0.3
173.01205	0.7
173.05835	1.2
173.07224	2.2
174.05467	0.8
174.06815	0.5
175.03807	0.2
175.07533	0.7
177.00740	0.5
177.05559	0.3
185.06004	0.9
186.03146	0.5
187.07584	0.7
189.09154	1.4
192.10258	0.3
199.07602	0.7
201.05383	2.2
202.04967	0.5
203.06927	0.4
203.10748	0.4
207.10190	2.6
213.05592	0.4
217.08582	0.9
225.05478	0.5
227.07025	1.1
229.05043	0.5
233.07996	0.3
243.06580	1.0
244.07298	1.2
245.08055	1.1
247.09621	0.3
255.06500	1.4
259.07010	0.8
259.09680	0.6
259.14438	0.3
271.06134	0.6
272.06781	5.3
287.09152	4.7
287.13629	0.5
305.06421	0.5
305.10226	10.5
305.13950	0.6
305.24664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.01877	0.3
55.05517	1.2
56.96556	0.4
57.03430	0.3
65.03918	0.5
67.01857	0.4
67.05482	0.4
67.49992	0.2
68.99790	0.6
69.03428	0.9
69.07068	0.4
70.06577	0.6
70.50626	0.6
71.04984	0.6
72.08158	3.3
73.06554	0.3
77.89091	0.2
79.05462	0.2
81.03419	0.6
81.07050	0.3
82.06579	0.3
83.04988	2.3
84.04547	0.2
84.08150	0.6
85.02911	0.6
85.06548	0.3
85.08937	1.2
85.97958	0.3
86.06093	0.2
86.09697	0.3
87.08121	0.3
91.05485	1.3
93.03407	0.4
93.07050	0.3
95.01373	0.2
95.04964	0.4
95.08617	0.3
96.08149	0.3
97.02908	0.6
97.06516	0.5
98.09682	0.3
98.97596	1.2
99.04485	0.3
100.07632	0.3
102.09190	0.9
107.04983	0.3
108.04536	0.2
109.02818	0.3
109.06554	0.2
110.97585	0.3
111.04459	0.8
113.06007	0.2
115.05390	0.3
115.07571	0.5
116.07123	0.4
116.98616	0.4
118.08669	0.3
119.04967	0.6
121.02869	0.8
121.06510	0.3
122.06026	0.6
123.04446	8.0
124.07616	0.3
125.05980	2.0
127.03957	1.2
127.07568	0.3
128.10739	2.4
129.05504	3.5
129.07008	0.4
130.06526	0.5
130.65921	0.2
131.04921	0.3
134.03635	0.2
135.04456	0.3
136.07629	0.4
138.09148	0.4
139.03934	1.2
141.05435	0.3
142.08665	0.3
143.09026	0.2
143.10703	0.2
145.06474	0.3
147.04424	100.0
148.04755	0.9
148.76266	0.2
149.02354	3.6
150.05521	0.6
151.03934	0.4
153.01843	6.4
153.05518	0.3
154.12260	1.7
156.10164	0.5
157.04988	5.1
157.06311	0.3
158.06004	0.6
158.99712	0.2
160.05209	0.7
161.02341	0.4
161.06082	0.3
164.10707	0.3
165.05482	0.3
167.03426	0.7
171.02936	0.4
172.07597	0.2
173.05966	2.0
173.07080	0.2
174.11256	1.4
179.03471	0.3
182.11800	1.7
185.06004	0.8
185.09999	0.3
186.03099	0.2
187.07593	0.3
191.06874	0.3
195.02901	0.8
198.06706	0.4
199.07588	0.7
201.05435	1.8
206.13850	0.3
213.05528	1.1
215.07025	0.3
225.05507	0.6
226.06331	0.3
227.06961	1.0
228.12360	0.5
229.05000	0.6
231.06534	2.9
241.04935	0.3
243.06619	0.7
244.07376	0.7
245.12981	0.3
255.06412	1.3
255.17114	0.3
259.06097	3.4
259.09802	0.9
260.15115	0.3
271.05930	0.2
272.06827	5.8
273.18118	2.0
275.09329	0.2
287.05618	0.9
287.09204	5.2
287.14035	0.5
305.06573	0.7
305.10254	11.3
305.15692	6.2
305.20761	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	305.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.6
56.96572	18.9
57.03416	4.4
57.07069	4.3
61.02000	2.2
67.05503	12.6
69.03413	5.1
69.07053	12.2
69.24841	11.0
69.25269	15.4
71.04996	3.6
73.48446	2.6
73.94412	2.6
79.05472	10.8
81.07066	20.8
84.96035	6.7
85.02879	5.8
85.06543	3.7
88.07628	6.3
91.05488	9.8
93.07048	18.5
95.04961	7.8
95.08633	20.9
97.06496	3.7
98.97589	100.0
105.07024	11.7
107.04965	3.8
107.08617	17.2
109.06499	6.2
109.10147	15.4
110.97550	7.5
111.04385	3.3
111.08067	3.8
112.99129	16.3
116.98627	45.2
119.08586	11.8
121.06502	4.7
121.10136	11.4
122.94228	2.5
123.08076	5.3
123.11713	4.3
124.95562	3.0
125.09592	3.3
128.98567	5.0
131.00174	22.8
131.08580	4.1
133.10120	6.5
134.99614	7.6
135.08070	4.6
135.11656	7.4
137.02396	2.6
137.05998	4.8
137.13220	3.7
140.00226	4.5
141.26950	2.8
142.96451	3.3
143.08554	3.0
144.98048	4.6
145.10135	3.8
147.11736	9.2
149.01207	12.3
149.09648	4.1
149.13249	5.6
151.03877	4.0
151.07550	4.1
154.12894	2.5
157.10197	3.8
158.06013	7.9
158.99680	20.7
159.08078	2.9
159.11676	4.3
160.97635	3.8
161.13293	3.6
171.11690	4.5
173.01237	27.0
173.09607	3.7
177.00748	24.5
177.05486	5.7
184.97630	4.4
187.14827	2.9
191.02296	29.9
201.00784	5.4
202.98682	15.3
203.17871	3.4
214.03824	6.6
219.01872	4.3
220.99660	5.2
226.00211	3.4
241.08487	2.9
244.99669	4.7
263.00778	3.4
287.16449	2.8
287.20139	4.0
305.04230	91.7
305.07919	6.6
305.17422	10.7
305.21149	3.1
305.25226	13.7
305.28387	4.7
327.54822	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	304.2636
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
51.18214	0.3
51.65442	0.3
53.03936	0.9
55.01862	1.0
55.05263	0.4
55.05513	7.0
56.96553	0.6
57.07063	1.1
58.06591	1.0
65.03934	1.0
66.01303	0.3
66.83855	0.3
67.05505	21.4
69.07068	6.2
70.06581	0.9
72.04507	1.0
79.05050	0.6
79.05495	7.6
79.05950	0.5
80.94319	0.3
81.03406	0.5
81.07061	13.0
83.05026	0.4
83.08606	1.2
85.05291	3.5
86.06064	1.0
88.07611	0.8
91.04945	0.6
91.05478	6.2
93.07046	6.4
95.04955	0.7
95.08606	10.1
98.06056	19.1
99.06837	0.5
100.07618	0.5
105.04478	0.5
105.07029	2.2
107.08591	3.2
108.08169	0.4
109.10167	3.3
110.09681	0.6
112.07619	2.3
117.06942	0.4
119.08601	1.7
121.10129	1.6
122.09622	0.4
123.11700	1.1
124.07597	0.8
125.08379	0.4
126.09154	1.1
131.08522	0.8
133.10130	1.1
135.11719	0.9
135.35892	0.3
138.09111	0.8
140.10689	1.2
145.10124	1.0
147.11644	0.6
154.12260	1.3
161.13174	0.5
166.12270	0.5
168.13773	0.6
175.95654	0.3
180.13821	0.4
182.15504	0.4
184.09723	0.4
196.17000	1.0
208.17012	1.2
222.18497	1.0
234.18387	0.6
236.20032	0.7
244.20859	0.4
248.20114	0.6
251.14824	0.3
286.30164	0.8
304.05103	1.9
304.26346	100.0
304.31223	7.1
305.08057	1.0
305.26669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
56.96555	0.9
60.05659	0.8
69.03420	2.1
69.07081	1.0
70.06592	1.9
70.96862	2.1
71.04980	1.2
72.08151	1.3
74.03877	0.7
79.05495	6.2
80.04979	1.4
81.05817	5.3
81.07074	4.8
85.02897	2.5
86.09695	1.1
94.06548	3.3
96.08129	18.5
97.02869	1.0
97.06525	2.1
98.97624	1.8
106.06557	3.1
107.04935	1.0
112.07530	1.1
120.08089	1.4
124.07600	100.0
125.05997	3.5
127.03922	1.2
130.06519	1.8
134.06064	1.6
135.06316	1.1
136.07597	2.5
137.02402	0.8
137.07938	1.2
142.08620	3.1
161.30341	0.8
164.07080	1.4
165.07423	1.6
304.05240	4.1
304.13635	4.6
304.16986	1.5
306.67447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40930	1.5
53.03943	2.0
55.01870	5.3
55.05521	3.5
56.05039	3.3
56.96569	4.7
57.03427	5.4
58.06602	3.2
60.04529	9.3
61.02924	4.5
67.05502	2.5
69.03433	19.2
69.06720	2.9
69.07073	46.6
69.73349	4.6
69.73779	4.5
70.06596	9.3
71.01363	1.9
71.04999	4.5
71.08639	22.8
72.08151	8.3
73.02907	3.1
74.06081	1.9
79.05476	2.9
81.03420	12.1
81.07059	3.9
82.02946	1.6
83.08601	1.7
84.04496	4.0
84.08134	6.6
85.02911	74.7
85.06505	2.0
86.02426	7.4
86.06084	5.8
86.09715	11.1
91.05474	2.6
93.07031	2.5
94.06577	7.9
95.04958	3.3
95.08613	1.8
96.04507	1.6
96.08132	6.1
97.02898	50.1
97.03960	2.6
97.06536	7.7
98.97565	7.4
99.04484	5.1
100.07644	2.5
103.03961	5.2
109.02876	17.8
109.06506	1.8
109.69316	1.4
110.02435	2.2
111.09207	3.9
114.09174	18.2
116.98627	2.2
118.06535	2.0
119.08591	1.7
120.08065	3.2
121.02917	1.8
122.06038	3.0
123.04449	3.7
124.07594	7.1
125.07162	1.8
127.03940	13.8
128.10730	1.5
130.06538	11.8
134.06036	2.5
136.07506	2.0
137.02339	4.3
137.06012	4.2
138.02672	3.1
138.09143	7.1
142.08646	100.0
145.04990	6.2
146.06010	4.4
147.04434	6.9
148.56480	1.6
153.01823	4.7
153.06671	2.5
154.02171	3.5
154.08684	1.9
156.10222	3.7
157.07652	4.8
158.06032	2.6
158.99757	2.3
166.08669	3.1
170.99629	2.1
175.08627	2.4
183.08099	4.7
184.09708	80.9
194.07249	2.3
195.08061	3.1
201.06599	2.2
202.05690	2.7
208.09720	16.9
211.07632	4.4
219.01779	2.5
219.04884	1.6
220.09641	2.8
222.09250	2.0
223.07478	21.7
229.04822	2.0
230.05345	5.9
238.10762	2.6
241.08531	4.5
242.09328	7.3
250.10706	10.4
258.04944	3.0
260.10272	3.7
268.09485	9.3
269.07941	1.9
286.04300	2.3
286.12399	8.5
287.13992	2.0
304.05362	73.4
304.13492	8.0
304.17050	6.0
305.05618	2.0
305.15738	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	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54335	1.0
53.03941	2.2
55.01881	8.5
55.05514	3.2
56.05037	2.4
56.96572	10.3
57.03437	2.9
57.07077	1.5
58.06598	2.6
61.02913	1.9
65.03922	1.5
67.05521	9.5
68.99786	2.1
69.03431	6.2
69.07079	10.3
70.06594	8.4
70.35320	3.1
70.35736	1.9
71.05000	7.0
72.08144	5.3
74.06084	1.2
79.05496	4.1
81.03442	2.7
81.05807	4.0
81.07077	5.7
82.06605	3.0
83.04998	8.2
84.04531	1.3
84.08154	14.8
84.96035	1.2
85.02913	10.6
85.06549	11.1
86.06100	1.2
86.09711	17.6
87.04495	5.4
91.05504	1.2
93.07042	1.6
94.06554	1.8
95.04995	8.5
96.04465	2.3
96.08141	7.8
97.02911	6.4
98.06083	1.6
98.09705	3.1
98.97599	13.8
99.04459	1.4
99.08084	2.7
100.07635	5.1
101.07980	3.0
102.09196	8.4
103.08743	1.7
106.06556	1.4
107.04972	1.5
109.05260	1.8
109.06576	1.1
109.51392	1.1
110.06046	4.6
110.07130	1.1
110.97628	1.6
111.04457	17.0
112.07613	100.0
112.99148	1.3
113.06015	11.5
113.07947	1.7
114.05556	1.5
115.03954	4.1
116.98639	7.1
120.08112	1.2
121.06522	2.5
122.06011	1.0
124.07603	88.4
126.09172	1.6
127.03885	1.9
127.07570	1.7
128.98634	1.8
129.05492	2.1
130.08653	60.1
134.99590	1.2
137.05988	1.9
138.05479	1.5
138.09135	1.5
139.03929	8.7
140.07098	7.1
142.08650	32.6
142.09752	2.1
143.00143	1.1
143.11867	2.9
144.10170	1.7
148.09705	4.1
154.08594	1.4
156.06537	2.0
157.01610	1.3
157.05014	2.7
157.09651	1.4
157.13382	6.0
158.11781	2.0
158.99696	2.5
162.66258	1.1
163.07568	2.3
166.08649	1.7
174.07724	1.9
181.14220	1.7
184.09738	2.7
185.12878	1.5
187.14494	2.1
190.08612	1.2
191.06995	1.3
201.12434	1.3
202.10945	1.6
208.09714	2.3
217.03784	1.0
219.01781	1.4
222.04497	1.5
226.10796	1.1
227.14664	3.0
235.27193	1.2
237.02783	1.8
242.13832	1.4
244.15392	6.3
245.15796	23.2
250.10898	2.0
268.11804	9.9
272.08063	2.4
272.15036	2.9
286.12869	52.1
286.17886	2.4
290.09207	1.2
304.05396	1.8
304.10828	6.7
304.13925	24.3
304.17709	18.8
305.12021	4.0
322.11520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87662	0.4
55.01877	1.5
56.05039	1.5
56.29599	0.4
56.96569	51.9
57.03442	0.5
58.06604	5.6
65.35389	0.4
67.05501	1.0
69.03423	0.9
69.07068	1.2
69.85090	1.2
69.85474	1.0
70.06592	0.8
70.98128	8.6
71.04988	2.1
71.95264	4.2
72.04530	3.2
72.08155	6.5
72.96058	1.5
74.97625	0.8
75.56525	0.5
83.04979	0.9
84.08149	5.3
84.96075	2.1
85.02917	0.9
85.06550	6.9
86.09697	0.9
86.97606	0.7
87.08079	0.8
88.99162	1.2
93.35808	0.4
96.08147	0.5
97.02908	0.5
97.99229	0.7
98.06037	0.5
98.09698	2.0
98.97589	100.0
100.00751	0.4
100.07629	0.9
100.11256	1.0
100.99186	0.4
102.09186	57.1
103.08708	6.7
110.09679	9.9
110.97573	3.7
112.07607	10.1
112.11266	2.6
112.99132	1.4
113.06007	5.4
115.00719	2.2
116.00163	0.7
116.98630	35.6
117.02275	0.5
124.07611	0.6
124.99070	0.6
126.02296	0.6
127.00717	1.6
128.07082	0.8
128.10738	2.3
128.98611	2.6
130.01837	0.8
130.06084	0.4
130.08653	6.1
131.00183	0.9
133.01759	0.7
134.99670	5.1
138.02299	0.5
138.09126	1.9
139.00656	5.0
139.08644	0.5
140.00153	0.6
140.03822	2.6
140.07076	1.5
141.02249	3.6
142.01764	1.3
142.05431	3.2
142.98949	3.5
144.03328	0.7
145.01747	1.3
146.04903	0.4
146.99684	0.7
148.09685	1.0
154.08684	0.6
154.98891	1.0
155.03864	0.7
156.03381	0.5
156.10226	0.6
157.00529	1.0
157.01740	9.6
157.09746	5.2
158.04895	8.9
159.03343	1.0
160.02827	1.5
160.06442	3.0
165.02299	0.4
166.05426	1.3
166.08655	3.2
167.00130	0.7
169.04428	0.6
173.04826	1.5
174.08063	0.5
174.11203	0.5
175.02837	3.9
176.05972	4.8
178.05084	0.7
178.07590	0.4
178.55115	1.0
184.04872	0.8
184.06461	11.0
184.09731	6.4
185.01237	1.9
186.08008	3.3
188.09544	1.6
188.12837	0.6
190.98659	1.0
198.07976	0.8
199.02800	15.2
200.05997	1.5
201.04434	0.6
202.07562	9.2
202.10719	7.5
203.02260	1.7
204.09081	5.6
209.09386	0.5
212.05904	1.8
216.09143	1.9
217.03859	12.3
218.07014	1.3
218.10637	3.0
219.01775	1.1
220.08592	1.0
221.03387	0.7
222.10062	0.5
222.57822	0.5
226.07565	0.5
227.00352	0.4
227.02184	2.3
227.10287	3.1
230.06999	5.0
231.05482	0.5
234.10304	0.6
235.04895	1.4
236.11699	0.8
241.03835	1.6
244.08583	1.9
245.03349	2.9
245.11308	0.9
248.08061	15.0
254.07121	0.8
259.04895	4.0
262.09662	8.8
266.09134	3.7
269.15082	1.5
272.08060	35.5
277.05896	4.6
280.10687	6.8
286.09656	2.4
287.16000	1.8
290.09116	17.2
303.60309	1.2
304.10706	20.2
304.18680	14.0
322.11749	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.0
55.05510	0.8
56.05035	1.6
56.96569	55.1
57.03442	3.3
58.06607	5.0
61.02925	5.7
67.05498	1.7
69.03432	5.2
70.06582	1.9
70.98132	10.6
71.04994	2.1
71.56788	1.2
71.95264	3.1
72.04528	1.6
72.08163	35.8
72.96051	1.6
73.02929	3.5
73.23296	0.6
81.03431	2.4
81.04541	4.6
81.07052	0.9
82.06590	0.9
83.04978	2.2
84.08150	4.6
84.96036	3.2
85.02905	6.8
85.06540	3.7
85.08932	0.7
86.09739	0.9
86.97556	0.7
87.04482	1.4
87.73694	0.6
88.99165	2.1
93.07048	0.7
95.04974	1.6
95.06107	2.2
95.08615	1.1
97.02892	4.1
97.06548	1.0
98.09678	3.4
98.97591	100.0
99.04488	0.8
100.07648	0.9
100.11266	1.0
100.99152	0.8
102.09189	54.1
102.97016	0.9
103.08717	4.4
105.07046	2.5
109.02910	2.2
109.06567	1.2
110.01266	0.9
110.09695	8.4
110.51511	0.8
110.97603	4.5
112.07614	6.6
112.11243	2.2
112.99135	2.3
113.01761	1.4
113.06023	3.8
114.02582	0.9
115.00717	2.5
115.02402	0.7
116.98634	38.8
119.01834	2.2
121.06479	1.4
123.08062	1.6
124.00714	1.0
124.95518	1.7
124.99142	1.4
125.06104	0.9
125.07124	4.7
127.00726	1.5
127.03953	2.2
128.02303	1.9
128.10745	1.6
128.98628	5.3
130.01810	1.2
130.08647	3.2
131.00191	2.5
131.01811	1.0
133.01736	1.4
133.06517	2.0
134.99655	10.6
135.04442	0.8
139.00679	3.7
140.00163	0.9
140.02330	0.9
140.03819	1.6
140.07086	1.0
141.02243	3.1
142.01776	1.8
142.05457	2.4
142.96542	1.7
142.99025	1.5
143.00171	2.1
143.08176	18.2
144.03340	0.7
145.01729	1.8
146.99724	3.9
147.03189	1.3
149.06004	1.3
150.01788	0.7
151.07556	1.7
151.99754	0.7
154.01817	0.9
154.08684	0.8
154.98875	0.9
155.03799	0.9
156.10179	0.9
157.00499	1.4
157.01740	9.8
157.09735	4.0
158.04919	6.8
158.11823	1.2
158.99704	2.7
159.03293	2.8
160.02847	1.5
160.05087	0.7
160.06488	2.3
160.99980	1.7
161.01202	1.6
162.03572	1.0
163.02623	0.9
165.05551	1.2
166.05428	1.4
166.08665	2.3
167.07056	0.7
170.96051	2.4
170.99699	0.9
172.02882	0.9
172.97630	1.4
173.01276	1.5
173.04893	1.5
174.99216	1.7
175.02798	4.7
176.03442	1.1
176.06030	3.9
177.00739	1.3
177.05557	2.1
179.02328	1.5
183.52451	0.8
184.04900	1.6
184.06454	11.7
184.09630	3.7
184.97589	1.6
185.01260	1.4
186.08037	2.6
188.09691	0.9
188.97072	3.3
189.00728	2.0
189.04225	0.9
190.03877	1.3
190.98692	1.9
191.02151	1.7
191.03882	1.4
191.05872	0.8
191.54155	1.1
192.04616	1.8
193.00179	1.8
197.08115	1.4
198.02866	3.6
198.04422	1.3
198.08157	1.2
199.02786	14.7
200.06026	1.2
202.07529	12.0
202.10765	2.6
202.98706	1.1
203.02303	1.6
204.09152	4.3
205.00269	1.3
206.98212	1.2
207.01801	1.3
207.05325	1.9
207.53671	0.9
211.01901	0.8
212.05933	1.9
212.97061	0.8
213.03374	1.7
213.53546	1.9
214.03711	1.4
214.05995	0.8
216.05731	2.0
216.09116	1.6
217.00473	1.1
217.03877	12.5
218.07143	1.1
218.10707	2.0
218.13963	1.1
219.01796	1.0
220.08614	1.4
220.99794	2.2
221.03421	1.4
223.06607	1.5
224.12906	1.3
227.02312	1.8
227.10344	1.9
230.07066	4.2
230.98186	2.4
232.99869	1.0
235.04933	1.8
237.02899	0.9
241.03854	2.1
241.07149	1.2
242.13927	3.3
244.08745	1.5
245.03389	2.2
245.11436	0.7
248.08067	12.4
258.13385	5.7
259.04968	3.5
262.06653	1.2
262.09650	8.7
263.00903	1.8
266.09085	3.9
270.94852	0.8
272.08087	33.6
277.05878	4.7
280.10663	6.6
281.01846	1.1
286.12918	8.7
290.09116	18.6
302.04459	0.8
304.10681	18.4
304.14014	37.0
304.18088	13.3
305.13580	1.9
313.10565	0.8
322.11752	17.8
325.56790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87317	0.8
52.49433	0.7
55.05503	2.2
56.05856	0.9
56.32293	0.8
56.96557	1.3
65.03938	2.2
67.01862	3.8
67.05506	1.9
68.02217	1.3
68.99802	2.8
69.03436	3.0
69.07063	2.4
71.58154	1.2
79.05505	1.7
81.03442	0.9
81.07056	2.7
84.96046	1.1
89.03927	4.6
90.04268	3.1
91.05495	1.9
93.03409	1.1
93.07064	1.8
94.03727	1.3
94.04254	0.8
95.04968	1.2
95.08615	2.1
96.08968	0.8
97.02905	1.7
97.06505	1.0
98.97569	3.9
105.07049	3.0
107.08589	2.1
109.06546	0.8
109.10168	1.1
111.04449	3.0
112.04803	1.1
116.98630	1.8
117.03391	10.1
118.03730	12.3
119.05006	0.9
119.08594	2.5
120.05264	0.8
121.06527	1.0
122.10452	0.8
123.04426	3.5
124.04794	2.9
124.40073	0.9
125.06030	2.3
126.06346	1.4
131.00162	1.0
133.10184	1.1
134.03639	1.2
137.06036	4.1
138.06282	3.9
145.02849	21.4
146.03186	24.7
147.11748	1.1
149.05994	3.1
150.06328	4.3
151.03917	3.8
151.07626	1.9
151.60925	0.9
152.04269	2.8
152.07899	1.7
153.01836	82.2
153.05544	2.5
154.02171	63.0
154.05800	2.0
155.02347	0.9
156.02600	0.8
158.99677	1.4
161.13277	0.8
162.03165	1.0
163.03922	1.1
164.04297	1.8
171.02934	7.4
172.03271	5.2
173.01186	1.2
177.05472	24.8
178.05804	38.3
179.03406	6.6
180.03728	10.0
180.05052	0.9
202.05965	0.8
214.05827	0.8
220.06863	1.4
223.86128	0.7
226.05815	1.5
230.05310	2.1
232.05914	2.1
242.05319	1.0
244.05911	2.9
254.05269	1.2
259.05634	1.0
260.05786	1.0
261.06131	5.5
272.05225	4.7
286.07785	1.9
288.05063	2.1
289.05551	15.6
289.08701	1.2
304.05188	4.1
304.08813	100.0
304.23462	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	303.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05432	1.8
55.05716	0.6
56.96503	0.7
57.03348	1.8
57.06983	4.1
57.07291	0.8
58.06510	0.4
67.05404	1.3
69.03342	0.7
69.07020	0.7
69.72414	2.2
70.06522	0.8
71.04928	0.5
73.06468	0.4
73.95425	0.3
79.05442	0.9
81.03342	0.4
81.06955	6.6
81.07460	0.4
82.06476	1.0
82.76908	0.3
83.04880	1.8
84.04438	0.6
84.08064	0.5
85.02794	1.8
85.06445	11.4
85.06998	1.0
96.08041	0.6
97.06369	0.4
98.97578	2.0
99.08096	9.4
99.08671	0.5
100.07621	26.0
100.08239	1.4
101.00799	0.5
101.06010	1.7
102.09136	0.7
108.08060	0.5
109.06405	1.5
110.05950	0.6
110.97512	0.7
111.08012	0.4
112.07616	3.2
113.00808	0.5
113.06002	4.6
113.09579	0.8
116.07023	0.4
119.01808	0.7
123.04349	0.6
124.07598	3.6
125.05869	1.2
126.09148	3.2
127.07565	8.1
127.11088	0.5
128.07022	0.4
128.10623	0.6
128.98517	0.7
131.01825	0.5
132.44925	0.4
135.21680	0.3
138.09047	1.6
141.05388	2.0
142.08553	0.4
144.10173	2.4
145.08507	0.3
152.10704	2.1
155.93942	0.3
166.08583	0.7
166.12283	5.2
177.05928	0.4
180.10210	0.4
180.13866	7.5
180.57436	0.3
184.09644	0.6
185.04214	0.6
194.11752	1.3
201.06102	1.0
208.13394	2.9
212.12788	0.6
213.05984	0.5
219.01775	0.8
226.14381	10.0
227.07127	0.4
237.02805	0.8
243.06982	0.5
244.15454	100.0
245.15962	0.9
267.05325	0.4
303.05548	2.1
303.10550	22.0
303.19183	4.4
303.22882	3.6
303.25192	0.3
321.10153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01852	0.4
55.05503	0.4
61.45012	0.2
65.03937	1.2
67.05510	1.1
67.05804	0.3
68.05019	0.2
68.52663	0.2
68.99786	1.1
69.03410	0.5
69.07066	1.8
71.05001	0.3
71.46827	0.3
72.08151	0.4
79.05497	1.6
81.03406	0.4
81.07052	1.2
82.06564	0.7
83.04953	0.2
84.04498	0.3
84.08127	0.4
86.09699	0.7
89.03902	1.1
91.05467	0.8
92.04993	0.9
93.03374	0.3
93.07034	0.6
94.06581	2.0
94.46158	0.2
95.04958	0.7
95.08601	0.4
96.04474	0.4
96.08121	0.6
96.83868	0.2
97.02919	0.2
97.06505	0.4
98.06057	0.3
98.97591	0.2
102.05510	0.2
105.07045	0.4
106.06552	1.9
107.04955	0.9
107.07331	0.6
107.08581	0.3
109.02862	0.3
109.06499	0.5
109.10155	0.3
110.06050	6.5
111.00771	0.2
112.07606	1.5
116.04983	1.2
117.03356	0.4
117.05788	0.4
117.07006	0.2
118.06532	0.3
119.08566	0.2
120.04475	13.7
120.08083	0.3
121.02874	0.5
121.05325	0.4
121.06460	0.2
121.10129	0.4
122.06042	3.0
123.04413	0.8
124.07595	4.3
127.03901	0.3
128.06195	0.2
130.06522	0.4
133.02858	0.4
133.06462	0.3
133.10146	0.4
134.06023	3.8
135.04424	0.9
136.07530	0.4
137.02350	2.6
137.05974	0.5
138.05499	0.6
139.03900	0.3
140.07069	6.3
141.06783	0.2
141.07860	5.6
142.08641	16.4
144.04437	1.1
145.02849	0.7
145.06557	0.4
146.05977	0.3
149.02339	0.3
149.05980	0.5
153.01834	4.0
153.05521	0.4
154.08650	1.8
154.12248	0.4
155.04910	0.3
157.10197	0.2
158.05983	0.4
161.05966	0.3
162.05505	100.0
163.03935	0.7
163.06209	1.1
164.07062	1.0
165.01845	0.9
165.05450	0.2
167.07043	7.6
171.02946	0.3
172.09746	0.2
173.06018	0.2
177.05496	0.6
179.03384	0.3
181.08582	0.3
183.02856	0.6
183.04431	0.4
187.03941	0.4
193.08607	0.3
198.09019	0.3
201.05432	1.2
204.06638	0.4
213.05461	0.2
215.03528	0.3
216.06718	0.3
216.10252	1.3
217.13351	0.7
219.06525	0.2
225.05536	0.3
226.08601	0.2
229.04951	2.7
230.08107	0.8
239.03748	0.2
240.10251	0.4
243.11371	1.7
244.09727	1.5
247.05991	0.2
251.07281	0.2
257.04398	1.4
258.11304	3.0
261.12350	7.6
268.09659	0.3
274.04703	0.4
279.13388	2.0
285.03912	0.7
285.07425	0.5
285.12314	1.8
286.10751	2.2
303.05020	25.5
303.08066	1.2
303.13373	11.7
303.19073	0.4
303.22861	0.3
304.05362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1228
Annotation	Odoratol
Peak:m/z	Relative Intensity
52.64895	0.2
53.03938	0.8
65.03949	0.4
70.41331	0.6
76.76139	0.2
77.03928	0.3
78.04716	0.7
79.53373	0.2
91.05479	2.6
93.07040	0.4
95.04983	1.8
103.05457	0.4
106.04151	0.3
109.06519	0.5
109.21748	0.2
110.03596	0.2
119.05005	0.4
121.06512	100.0
122.06848	0.9
125.06008	2.1
133.06488	3.0
134.07205	0.2
137.05971	1.1
149.05971	2.2
151.03917	11.0
151.07564	0.6
153.05486	0.4
161.06003	2.9
163.07576	0.2
177.05469	0.3
200.28238	0.2
220.66959	0.2
222.48688	0.2
257.11737	5.1
267.10159	1.2
285.11295	0.8
303.05005	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01583	0.8
54.04444	0.8
54.11215	0.9
55.01857	2.2
55.05527	1.2
56.96556	3.5
57.03423	2.1
61.02924	3.4
64.52522	0.9
66.03467	3.0
67.05498	2.7
69.03435	7.4
69.07061	2.7
70.06592	2.0
70.25528	1.0
71.04999	1.8
71.06237	1.9
71.06590	1.1
72.08138	2.4
73.02899	1.4
73.06547	1.3
79.05489	2.2
81.03438	6.0
81.07064	1.9
83.04981	2.1
84.08167	2.0
85.02418	1.7
85.02912	26.3
85.06577	1.0
86.09721	5.4
91.05459	2.3
93.04536	32.4
93.07083	1.4
94.06561	1.1
95.05003	2.0
95.06066	6.9
95.08566	1.0
95.70293	1.0
97.02904	8.5
97.06487	1.1
98.06001	1.3
98.97585	4.3
99.04453	2.8
104.69068	1.0
107.08604	1.2
109.02887	3.6
109.10173	0.9
110.06049	3.3
110.51571	1.0
110.97559	1.1
111.04401	1.3
111.05608	7.5
111.06322	1.6
111.15208	1.0
112.07622	1.6
113.06093	0.9
116.98619	2.4
120.08130	1.7
121.02838	1.2
122.06076	2.3
123.05560	65.2
123.74638	1.1
127.03920	5.2
128.07098	1.6
128.98616	1.7
134.06017	2.1
136.07536	2.8
137.02365	4.2
137.05995	7.3
138.09180	2.1
140.07036	1.5
141.06595	100.0
145.04997	2.4
146.05988	1.2
147.04419	1.3
149.06046	1.0
152.07082	1.1
153.01836	3.6
156.10190	1.8
158.99631	1.4
162.05537	1.3
163.02800	1.9
164.07036	2.1
165.01912	1.0
170.09665	1.1
184.09772	1.3
184.11244	2.1
195.09204	2.2
196.09976	7.8
197.10835	2.3
199.08635	1.3
201.05568	2.3
203.06938	1.1
206.08414	15.3
209.07077	1.7
209.10701	2.3
210.05765	1.0
210.08026	1.6
210.11578	2.7
211.08797	1.2
211.12288	8.2
213.10280	1.2
219.01761	1.1
220.10004	2.8
221.10684	5.2
223.08676	6.7
224.09470	5.1
225.10187	1.0
226.10985	1.4
227.08252	2.3
229.05006	3.8
235.07188	1.5
237.02800	1.2
237.10237	3.5
238.11052	6.4
239.08211	2.2
239.11827	14.8
241.09740	1.9
252.08818	1.1
257.04425	2.1
257.12787	6.4
261.10019	1.2
267.11285	31.2
271.09680	1.1
272.11691	1.8
275.09277	1.1
275.13672	1.0
285.04059	1.9
285.12338	38.5
303.05051	37.9
303.07761	0.9
303.13495	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01867	0.8
55.05507	0.5
56.05040	1.9
57.55403	0.3
58.99596	2.2
65.03933	1.0
67.01862	0.7
67.05502	2.8
68.99798	2.8
69.03427	0.9
69.07069	7.3
69.43255	0.3
71.14173	0.3
71.57529	0.5
72.08154	3.2
73.01129	0.4
73.08485	1.2
76.02225	3.9
79.05486	0.8
81.03415	1.3
81.07063	0.7
83.01317	0.3
83.04979	0.5
84.04511	6.0
84.08128	0.7
85.02908	0.5
86.09707	1.4
88.03983	2.9
91.05469	1.2
93.03407	0.6
93.07060	1.5
94.33904	0.3
95.04971	1.9
95.08575	0.5
97.02881	0.8
98.97566	1.0
99.02661	0.8
101.04247	10.4
102.03789	0.5
103.05436	0.4
105.03363	0.4
105.07040	0.7
107.04948	0.9
109.02886	1.4
110.06049	0.6
110.07235	0.4
111.00821	2.3
111.04396	0.5
112.07660	1.5
116.98644	0.4
117.07004	0.6
118.03258	1.9
119.04915	0.3
120.08088	0.7
121.02113	0.3
121.02863	2.1
121.06530	0.9
122.02751	0.4
122.03632	0.5
123.04443	1.6
123.08115	0.5
124.07626	0.7
127.02148	1.4
127.03916	0.9
127.05809	2.4
130.05003	4.5
130.06485	0.4
131.04930	0.8
133.02853	0.5
134.87437	0.3
135.04399	0.8
136.07658	0.5
137.02344	12.7
137.03404	0.8
137.05966	3.9
138.05527	0.7
138.09200	0.4
140.07074	4.4
142.06818	0.5
143.11815	1.1
144.12166	0.9
145.02794	0.4
145.06519	0.8
147.04364	0.3
149.02336	0.6
149.06001	0.6
149.07101	0.4
151.03925	0.8
152.05307	0.7
152.07031	0.6
153.01833	10.0
154.02014	0.4
155.01497	0.3
155.04916	1.2
157.13322	0.4
159.04378	0.5
161.02367	0.6
161.05981	0.8
162.05511	0.6
163.03931	1.5
164.09621	0.3
165.01837	4.5
165.06955	0.4
166.02623	0.5
167.03508	0.3
167.07079	0.5
168.04764	1.1
169.06541	0.5
170.06363	3.7
171.11423	0.4
172.04279	25.7
173.05936	1.8
178.04927	0.5
179.03403	1.9
180.04823	2.3
183.02921	1.6
183.04456	1.0
187.03917	1.1
189.09068	0.3
191.03444	0.4
193.05002	0.3
195.02885	0.4
195.09154	0.4
196.09987	1.1
197.05963	0.7
197.07465	8.9
198.05823	4.5
200.04611	0.5
201.05464	5.0
205.04904	0.4
206.08372	1.4
211.04024	0.5
211.12303	0.9
213.03586	0.4
213.05530	0.5
215.08521	12.6
219.06480	0.9
221.10797	0.6
222.08295	0.6
225.05469	1.2
228.04239	0.8
229.04984	9.5
229.08429	1.9
237.10127	0.4
238.11099	0.6
239.03508	0.5
239.08636	0.4
239.11748	1.5
244.06371	3.5
247.06035	1.3
257.04465	4.6
257.09833	7.7
257.12567	0.6
258.04950	0.4
261.09070	8.3
267.11243	3.2
274.04672	1.5
275.09073	0.4
285.03940	2.3
285.07184	0.6
285.09293	0.5
285.12277	4.2
303.05014	100.0
303.13696	6.4
304.05200	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0867
Annotation	Disporopsin
Peak:m/z	Relative Intensity
53.03927	0.3
54.47492	0.2
55.01869	1.2
55.05519	1.3
56.96543	0.4
59.04995	0.3
63.87787	0.2
65.03909	0.8
67.05506	2.3
68.61209	0.2
68.99792	2.1
69.03407	0.7
69.07076	1.5
70.69077	0.4
70.69412	0.4
71.01302	0.2
71.04964	0.5
79.05494	1.4
81.03397	0.9
81.07060	3.1
83.04948	0.9
83.08585	0.7
85.02905	0.3
85.06527	0.3
89.03896	0.3
91.05489	1.7
93.03391	0.5
93.07056	1.8
95.04975	1.6
95.08620	2.7
97.02883	0.6
97.06551	0.4
97.10139	0.7
98.97565	0.4
99.04457	2.6
103.05451	0.6
105.03403	0.4
105.07041	3.1
107.04957	0.8
107.08617	1.8
109.02853	1.3
109.06507	0.6
109.10162	1.6
109.55403	0.2
111.00832	1.5
111.04462	1.7
111.08079	0.3
115.05439	0.9
116.98619	0.2
117.03387	0.4
117.06987	1.0
119.04943	1.1
119.08571	2.5
121.02872	1.5
121.06493	0.7
121.10145	1.1
122.09695	0.4
123.04419	1.0
123.11708	0.3
125.02265	0.3
125.06034	0.3
125.09621	0.4
127.03922	4.0
128.06169	0.3
129.06990	0.8
131.04924	0.5
131.08548	1.1
133.02840	1.1
133.10138	2.3
135.04410	1.1
135.11665	0.7
137.02347	5.4
137.03386	0.5
137.05992	0.9
138.03140	0.5
138.09149	2.5
139.11156	0.2
143.04872	0.4
143.08575	0.3
145.02869	0.5
145.06459	0.7
145.10139	1.3
147.04434	1.2
147.11708	2.0
149.01300	0.3
149.02385	0.8
149.05988	0.4
149.09543	0.4
149.13312	0.6
151.03920	5.7
151.07565	0.6
153.01834	6.7
153.05466	1.1
153.06931	0.5
155.04884	0.9
155.06023	0.3
155.08501	0.3
157.06493	0.8
159.11652	1.2
161.06009	0.7
161.09569	0.3
161.13272	1.5
162.03094	0.3
163.03920	1.9
163.11229	0.3
164.07091	1.3
165.01839	2.9
165.05460	0.4
165.06964	0.7
166.02716	0.4
166.08665	2.2
169.10139	0.4
171.08070	0.3
171.11732	0.5
173.06012	1.0
173.13318	0.6
175.03914	100.0
175.14799	0.5
176.04352	0.7
177.05461	1.1
177.12744	0.4
179.03355	0.3
181.06470	0.6
183.02866	1.1
183.04451	0.6
183.08081	0.6
185.06021	0.8
187.03983	0.3
187.07509	0.3
187.14885	0.3
188.04648	0.8
189.05507	0.3
190.86037	0.2
193.04947	0.4
195.03033	0.4
196.05272	0.2
199.07541	0.5
201.05482	6.1
201.16367	0.3
203.03452	0.4
205.04898	0.4
209.06146	0.3
211.03836	0.3
211.07559	0.7
211.14818	0.3
213.05589	0.6
215.03230	0.3
215.07085	0.8
215.17958	0.3
219.06554	0.7
225.05606	0.4
227.07124	0.7
228.04375	0.4
229.04984	6.9
229.08519	0.5
229.19525	0.3
239.07166	0.9
239.11899	0.4
243.06630	0.5
243.10168	0.3
247.06142	0.8
255.06476	0.3
257.04456	4.1
257.08044	1.3
257.12946	0.3
259.06107	0.3
267.21204	0.4
271.09717	0.7
274.04843	1.0
275.05563	0.7
285.04071	1.8
285.07651	8.0
285.12396	0.6
285.18793	0.4
285.22232	0.8
303.05075	67.5
303.08670	11.8
303.19708	0.7
303.23108	4.4
304.05399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.8
55.01861	1.5
55.05503	2.0
56.96548	1.4
57.03430	0.6
64.95942	0.5
65.03603	0.7
65.03944	12.9
67.01855	0.6
67.05510	4.3
68.99789	3.2
69.03428	1.6
69.07073	4.0
71.04990	0.8
71.57565	0.7
76.59824	0.6
79.05495	4.0
81.03407	2.2
81.07058	5.8
83.04978	1.6
83.08601	0.8
85.06532	0.9
91.05478	11.0
93.03411	18.2
93.07056	3.9
94.04185	1.8
95.04985	6.9
95.08615	4.3
97.02905	1.2
97.06510	1.5
97.10160	0.9
98.97588	3.0
103.05512	0.9
105.07018	4.1
107.04980	2.7
107.08600	3.8
107.59203	0.6
108.90517	0.6
109.02863	1.6
109.06499	1.8
109.10159	3.6
110.03690	3.4
111.00829	1.0
111.04447	18.0
116.98627	1.4
117.07007	1.2
119.04946	8.8
119.08565	3.4
121.02831	1.2
121.06487	3.3
121.10132	2.7
122.03654	4.3
123.04435	50.1
123.08014	1.2
123.11729	1.6
125.06000	26.9
125.09570	0.8
127.03926	1.1
129.07056	0.9
131.04942	2.0
131.08580	2.3
133.02814	0.7
133.10117	2.0
135.04419	2.3
135.08015	2.1
135.11697	2.4
137.02411	3.6
137.05983	54.0
137.09633	1.1
139.03912	1.1
141.07002	1.8
143.08554	0.7
145.02859	0.6
145.06432	0.8
145.10165	2.1
147.08110	0.7
147.11685	2.5
149.02350	2.4
149.05962	2.8
149.09628	0.9
149.13268	0.8
150.06720	1.3
151.03908	77.9
151.07475	3.8
153.01840	31.0
153.05470	33.3
155.04912	0.7
155.08575	0.7
156.09309	0.5
157.06511	0.8
157.10135	1.0
158.99677	1.0
159.04405	1.0
159.11726	1.4
161.06010	0.8
161.09639	1.1
161.13217	1.4
163.03911	1.9
163.07504	1.1
165.01894	1.3
165.07014	1.0
167.03432	1.7
168.05696	0.9
169.06514	3.2
171.11810	1.0
173.01225	0.7
173.06000	1.3
173.13257	0.8
175.11002	0.7
177.00652	0.9
177.05473	8.9
179.03403	54.8
183.02855	1.1
183.04398	1.0
183.08122	0.9
183.11644	0.7
185.05974	1.2
187.03842	0.7
187.07452	0.9
189.16460	0.9
191.07001	0.9
196.05220	1.2
197.05963	5.1
197.13200	0.6
198.06642	0.7
201.05533	2.3
205.05003	5.4
206.05690	2.0
207.04495	0.6
207.06589	0.9
210.04506	0.8
210.69725	0.7
211.07605	1.4
213.05504	1.7
214.06076	0.9
215.07170	0.9
219.02080	0.6
219.06549	3.3
220.07571	0.6
224.79106	0.6
225.05469	18.6
229.05014	4.8
229.08617	1.3
239.06911	1.3
242.05736	2.1
243.06506	1.1
243.10159	0.9
243.21176	0.6
253.04922	10.0
255.06512	1.3
257.04779	2.8
257.08109	5.1
260.05746	7.2
270.05307	2.1
271.09735	1.4
273.06558	0.8
274.04932	0.6
275.06311	1.2
275.09161	3.7
276.30478	0.7
285.07584	12.7
285.11298	2.2
287.05240	0.8
288.05252	9.0
303.04987	36.3
303.08539	100.0
303.12234	3.8
303.19812	1.5
303.23212	4.3
303.26492	1.0
304.05374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0865
Annotation	3,7,2'-Trihydroxy-4'-methoxyisoflavanone
Peak:m/z	Relative Intensity
53.03910	0.8
55.01861	1.5
55.05503	2.0
56.96548	1.4
57.03430	0.6
64.95942	0.5
65.03603	0.7
65.03944	12.9
67.01855	0.6
67.05510	4.3
68.99789	3.2
69.03428	1.6
69.07073	4.0
71.04990	0.8
71.57565	0.7
76.59824	0.6
79.05495	4.0
81.03407	2.2
81.07058	5.8
83.04978	1.6
83.08601	0.8
85.06532	0.9
91.05478	11.0
93.03411	18.2
93.07056	3.9
94.04185	1.8
95.04985	6.9
95.08615	4.3
97.02905	1.2
97.06510	1.5
97.10160	0.9
98.97588	3.0
103.05512	0.9
105.07018	4.1
107.04980	2.7
107.08600	3.8
107.59203	0.6
108.90517	0.6
109.02863	1.6
109.06499	1.8
109.10159	3.6
110.03690	3.4
111.00829	1.0
111.04447	18.0
116.98627	1.4
117.07007	1.2
119.04946	8.8
119.08565	3.4
121.02831	1.2
121.06487	3.3
121.10132	2.7
122.03654	4.3
123.04435	50.1
123.08014	1.2
123.11729	1.6
125.06000	26.9
125.09570	0.8
127.03926	1.1
129.07056	0.9
131.04942	2.0
131.08580	2.3
133.02814	0.7
133.10117	2.0
135.04419	2.3
135.08015	2.1
135.11697	2.4
137.02411	3.6
137.05983	54.0
137.09633	1.1
139.03912	1.1
141.07002	1.8
143.08554	0.7
145.02859	0.6
145.06432	0.8
145.10165	2.1
147.08110	0.7
147.11685	2.5
149.02350	2.4
149.05962	2.8
149.09628	0.9
149.13268	0.8
150.06720	1.3
151.03908	77.9
151.07475	3.8
153.01840	31.0
153.05470	33.3
155.04912	0.7
155.08575	0.7
156.09309	0.5
157.06511	0.8
157.10135	1.0
158.99677	1.0
159.04405	1.0
159.11726	1.4
161.06010	0.8
161.09639	1.1
161.13217	1.4
163.03911	1.9
163.07504	1.1
165.01894	1.3
165.07014	1.0
167.03432	1.7
168.05696	0.9
169.06514	3.2
171.11810	1.0
173.01225	0.7
173.06000	1.3
173.13257	0.8
175.11002	0.7
177.00652	0.9
177.05473	8.9
179.03403	54.8
183.02855	1.1
183.04398	1.0
183.08122	0.9
183.11644	0.7
185.05974	1.2
187.03842	0.7
187.07452	0.9
189.16460	0.9
191.07001	0.9
196.05220	1.2
197.05963	5.1
197.13200	0.6
198.06642	0.7
201.05533	2.3
205.05003	5.4
206.05690	2.0
207.04495	0.6
207.06589	0.9
210.04506	0.8
210.69725	0.7
211.07605	1.4
213.05504	1.7
214.06076	0.9
215.07170	0.9
219.02080	0.6
219.06549	3.3
220.07571	0.6
224.79106	0.6
225.05469	18.6
229.05014	4.8
229.08617	1.3
239.06911	1.3
242.05736	2.1
243.06506	1.1
243.10159	0.9
243.21176	0.6
253.04922	10.0
255.06512	1.3
257.04779	2.8
257.08109	5.1
260.05746	7.2
270.05307	2.1
271.09735	1.4
273.06558	0.8
274.04932	0.6
275.06311	1.2
275.09161	3.7
276.30478	0.7
285.07584	12.7
285.11298	2.2
287.05240	0.8
288.05252	9.0
303.04987	36.3
303.08539	100.0
303.12234	3.8
303.19812	1.5
303.23212	4.3
303.26492	1.0
304.05374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03960	0.3
55.01871	0.6
55.05514	0.3
65.03929	0.6
67.01854	0.3
67.05505	0.7
68.99796	2.2
69.03422	0.7
69.03778	0.2
69.07043	0.3
70.06590	0.2
70.70016	0.4
71.04980	0.3
72.08173	1.3
73.08488	0.3
77.95110	0.2
81.03419	0.8
81.07065	0.3
83.04949	0.3
85.02902	1.0
86.03237	0.2
86.09702	0.5
87.04464	0.2
91.05476	0.6
93.03403	0.9
95.01337	0.2
95.04974	0.9
97.02871	0.5
97.06487	0.2
98.97604	0.6
105.03383	0.3
107.04961	0.4
109.02888	1.2
111.00801	2.0
117.06991	0.5
119.04897	0.3
121.02883	2.5
121.06484	0.2
123.04427	0.9
127.03909	0.9
128.04262	0.2
131.04930	0.5
133.02876	0.3
133.06531	0.2
135.04433	0.7
137.02351	7.6
137.03383	0.5
137.05963	0.4
140.07153	0.3
143.11826	0.4
144.12183	0.3
144.13876	0.4
145.02803	0.4
145.06499	1.0
147.04390	0.2
149.02365	1.1
151.03932	0.4
153.01842	10.0
155.04916	0.8
157.06615	0.2
161.06017	0.8
162.05528	0.2
163.03915	1.4
165.01849	3.7
165.03218	0.2
166.02623	0.5
167.07045	0.2
169.06453	0.2
173.05940	1.5
177.05453	0.3
178.05151	0.2
179.03442	0.6
182.08206	0.3
183.02910	1.6
183.04448	1.2
183.08177	0.3
187.03955	1.2
191.03569	0.3
191.07016	0.3
195.02916	0.3
197.05977	0.3
201.05470	4.2
205.04980	0.4
211.03911	0.4
215.07040	0.2
219.06526	0.8
228.04213	0.8
229.04982	10.1
247.06091	1.4
257.04468	5.4
257.08301	0.4
257.12701	0.2
267.11292	0.4
274.04852	1.2
275.05469	0.4
275.09299	0.6
285.03946	2.4
285.12314	0.9
303.05017	100.0
304.05405	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
61.54493	0.2
65.03944	0.3
67.01874	0.2
68.99796	2.7
69.03427	0.3
69.39795	1.7
69.40188	0.5
81.03407	0.7
91.05459	0.3
93.03415	0.8
95.04967	1.2
103.05463	0.3
105.03415	0.3
109.02899	1.1
111.00810	2.3
117.07068	0.4
121.02877	1.8
123.04424	0.7
126.67578	0.2
127.03949	0.6
131.04893	0.3
133.02827	0.2
135.04399	0.6
137.02345	8.3
137.03387	0.7
145.02895	0.3
145.06461	0.7
146.81421	0.2
149.02359	1.1
153.01828	11.0
155.04874	1.3
159.04382	0.3
161.05962	0.8
163.03940	1.5
165.01836	4.1
166.02614	0.5
173.06046	1.6
179.03340	0.3
183.02882	1.9
183.04453	0.7
187.03934	1.2
191.03392	0.3
195.02890	0.5
201.05467	4.9
205.05014	0.5
210.55865	0.3
211.03848	0.4
215.03452	0.3
219.02789	0.4
219.06477	0.6
228.04234	0.7
229.04965	9.5
239.03404	0.4
247.05989	1.3
257.04462	5.2
274.04684	1.3
275.05368	0.3
285.04031	2.6
303.04996	100.0
304.05307	1.6
320.28534	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99437	0.1
53.03937	0.2
55.01868	0.4
55.05492	0.3
56.05043	0.3
56.96571	0.1
65.03934	0.5
67.01865	0.4
67.05499	0.5
68.99430	0.2
68.99793	2.3
69.03422	0.5
69.07069	0.8
69.47288	1.0
70.06585	0.3
71.01357	0.2
72.08147	0.5
76.02226	0.3
77.03927	0.2
79.05486	0.2
81.03419	0.9
81.07050	0.3
83.04963	0.3
84.04515	0.4
84.08155	0.2
85.02901	0.2
86.09688	0.6
87.10056	0.2
88.03971	0.3
91.05472	0.3
93.03416	0.7
93.07051	0.2
94.06580	0.1
95.04969	0.8
97.02895	0.3
97.06523	0.1
98.97607	0.2
101.04265	0.8
102.09177	0.2
103.05466	0.4
105.03396	0.2
105.07046	0.2
107.01313	0.1
107.04958	0.4
109.02890	1.2
110.03696	0.2
111.00816	2.0
111.04443	0.3
112.07530	0.2
113.05962	0.3
115.05408	0.2
117.06997	0.3
119.04887	0.2
121.02882	2.1
121.06466	0.2
123.04447	0.9
124.07652	0.2
125.09655	0.1
127.03929	1.0
127.05812	0.2
128.89281	0.1
130.05005	0.4
131.04927	0.6
133.02875	0.3
133.06508	0.2
133.10095	0.1
135.04382	0.6
136.07559	0.2
137.02354	9.3
137.03421	0.6
137.05899	0.6
140.07077	0.4
143.04955	0.3
145.02837	0.2
145.06511	0.8
147.04381	0.2
149.02402	0.8
149.05956	0.2
151.03902	0.2
153.01837	10.2
155.04916	1.1
155.06041	0.2
158.13713	0.2
159.04385	0.3
160.05200	0.2
161.05995	0.8
163.03931	1.6
163.07539	0.1
165.01839	3.8
165.07045	0.3
166.02631	0.5
167.03375	0.1
167.07060	0.4
170.06357	0.2
171.02956	0.3
172.04295	1.9
173.05995	1.5
177.01918	0.3
177.05492	0.3
179.03394	0.6
180.04715	0.2
181.06537	0.1
183.02890	1.2
183.04446	1.0
185.05968	0.2
187.03929	1.2
189.05482	0.2
191.03424	0.3
191.06990	0.2
195.02895	0.5
197.05899	0.2
197.07463	0.6
198.05844	0.4
201.05476	4.2
203.03459	0.1
205.05022	0.7
207.02795	0.2
211.03947	0.4
211.07565	0.1
213.05498	0.4
214.98048	0.1
215.03394	0.2
215.08618	0.9
217.05019	0.2
219.02962	0.2
219.06606	0.6
228.04164	0.8
229.04973	9.1
232.03761	0.1
233.04494	0.2
239.03400	0.4
239.11835	0.2
244.06381	0.2
245.04414	0.2
246.05222	0.2
247.06061	1.3
257.04477	4.8
257.09802	0.8
257.12430	0.1
261.09055	0.7
271.09604	0.2
274.04770	1.4
275.05450	0.3
285.03964	2.2
285.12183	0.4
303.05005	100.0
304.05365	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	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01869	0.4
65.03945	0.3
67.01857	0.6
67.05492	0.4
68.99799	2.3
69.03424	0.4
69.67133	0.7
81.03432	0.8
81.07063	0.2
83.07127	0.1
91.05499	0.2
93.03439	0.8
95.04967	0.9
97.02891	0.3
105.03400	0.2
105.07092	0.2
107.05002	0.1
109.02892	1.1
111.00817	2.1
111.04433	0.1
115.05441	0.2
117.06983	0.4
119.04955	0.2
121.02885	2.1
123.04437	0.8
127.03923	0.4
127.05434	0.2
129.06972	0.2
131.04913	0.5
133.02853	0.2
135.04427	0.5
137.02354	8.2
137.03404	0.6
137.05914	0.2
143.04961	0.2
145.02824	0.3
145.06467	0.8
149.02354	0.8
153.01837	11.0
154.97804	0.2
155.04959	1.3
155.06078	0.2
157.06465	0.2
159.04422	0.4
161.05986	0.6
163.03876	1.5
165.01851	4.1
166.02614	0.5
173.05978	1.8
175.03795	0.2
177.05487	0.4
179.03430	0.5
183.02881	1.4
183.04459	1.3
183.86818	0.1
184.05196	0.2
185.15253	0.2
187.03931	1.2
191.03450	0.3
195.02899	0.4
201.05482	4.6
205.04980	0.6
207.02849	0.3
211.03912	0.5
213.05458	0.3
215.03436	0.3
216.59529	0.1
219.02879	0.4
219.06546	0.4
228.04199	0.9
229.04976	10.4
232.03873	0.2
239.03430	0.4
245.04462	0.3
246.05260	0.2
247.06029	1.5
257.04462	5.8
258.05157	0.1
274.04767	1.5
275.05457	0.4
285.03943	2.2
303.05005	100.0
304.05341	1.5
312.89270	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01863	0.6
55.86676	0.2
56.12454	0.1
57.52746	0.2
58.84061	0.2
65.03944	0.6
67.01865	0.4
67.05501	0.2
68.99796	2.3
69.03429	0.2
69.20547	0.2
70.88427	0.4
73.63534	0.2
81.03417	0.6
90.95811	0.2
93.03399	0.6
95.04969	0.8
105.03374	0.4
107.04971	0.3
109.02869	1.2
111.00827	2.3
115.05430	0.3
116.56613	0.1
117.07022	0.4
121.02882	2.3
123.04446	1.0
127.03894	0.5
131.04904	0.4
133.02852	0.2
135.04416	0.7
137.02356	8.2
137.03421	0.6
143.04910	0.2
145.02858	0.2
145.06517	0.8
149.02348	0.8
153.01836	10.8
155.04951	1.2
155.06065	0.3
159.04373	0.3
159.98073	0.2
161.05995	0.8
163.03928	1.6
165.01846	3.7
166.02605	0.6
173.06000	1.7
177.01880	0.2
179.03380	0.5
183.02879	1.5
183.04420	1.0
187.03922	1.0
191.03357	0.3
191.06982	0.2
195.02913	0.5
201.05475	5.0
205.04898	0.5
207.02888	0.5
211.03932	0.4
213.05486	0.3
215.03456	0.2
219.02867	0.3
219.06538	0.5
228.04198	0.7
229.04976	9.5
231.02820	0.2
239.03552	0.3
245.04601	0.3
247.06006	1.1
257.04480	5.2
274.04739	1.2
275.05469	0.6
285.03946	2.2
303.05011	100.0
304.05249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01871	0.3
55.24045	0.2
57.62408	0.2
65.03929	0.7
67.01877	0.3
68.99795	2.4
69.97443	0.2
70.32480	0.8
73.08645	0.2
76.94662	0.2
81.03402	0.8
86.09700	0.4
93.03398	0.7
95.04948	0.6
98.20792	0.2
102.88533	0.2
105.41485	0.2
107.01324	0.2
107.04938	0.2
109.02913	1.1
111.00819	2.2
111.04427	0.2
112.07600	0.3
117.07043	0.3
121.02882	2.2
123.04425	0.9
127.03945	0.3
129.06952	0.2
131.04927	0.3
133.06476	0.3
135.04405	0.2
137.02367	7.8
137.03383	0.4
145.02838	0.2
145.06505	0.8
149.02330	0.8
153.01836	10.3
155.04927	0.9
155.06024	0.3
159.04366	0.3
160.05179	0.2
161.05995	0.7
163.03922	1.3
165.01851	4.0
166.02580	0.4
173.05992	1.4
177.05507	0.3
179.03416	0.3
183.02913	1.5
183.04424	0.9
187.03966	1.1
191.03398	0.4
195.02902	0.4
201.05479	4.4
205.04910	0.4
211.03949	0.2
213.05531	0.3
215.03297	0.3
219.03011	0.3
219.06517	0.8
228.04160	0.5
229.04970	9.6
239.03583	0.3
245.04547	0.2
247.06064	1.1
257.04468	5.4
274.04706	1.2
275.05524	0.3
285.03949	2.4
303.05005	100.0
304.05338	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	302.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62941	0.9
52.52609	0.9
55.01624	1.1
55.01877	19.0
56.96569	5.0
57.61191	1.1
59.06115	3.6
62.79880	1.1
63.79797	1.0
68.05021	3.3
69.03429	9.9
70.06561	1.2
70.24030	4.7
70.24384	1.1
72.04521	9.1
72.08149	1.5
82.06571	4.1
82.07001	1.1
83.04972	2.4
84.08131	2.5
85.02892	2.5
85.07650	2.7
86.06078	1.4
87.04479	1.8
97.02891	2.7
98.06077	10.2
98.97578	10.6
103.08714	34.1
104.52227	1.2
110.06056	16.2
110.09647	1.3
110.97585	1.0
111.04435	3.2
112.03984	3.3
112.07616	3.9
113.07115	5.6
115.03844	1.2
116.98612	3.3
122.06040	10.2
128.07086	100.0
129.05508	1.6
139.08725	1.5
140.07077	92.0
146.08139	17.9
148.03885	2.7
148.83881	1.0
152.07091	4.5
154.08598	2.8
157.04382	1.5
157.09735	33.1
158.08200	1.7
161.04633	1.2
164.07060	6.2
170.08118	2.4
182.08141	65.6
195.35432	1.0
199.02757	1.1
199.10742	6.9
200.09204	25.9
205.05473	16.4
205.55737	1.3
207.07550	1.4
217.11844	6.3
219.01767	1.5
225.08728	8.0
237.02774	2.2
241.11789	1.5
243.09769	9.7
244.08647	1.2
252.05560	1.3
258.14532	1.8
267.13358	3.8
276.06973	1.1
285.14478	14.5
295.07214	1.2
302.17139	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
65.03935	0.7
67.01856	0.4
67.05495	0.4
68.99795	2.4
69.03423	0.2
69.50918	0.8
81.03413	0.8
84.03263	0.1
86.09726	0.1
91.05489	0.2
93.03411	0.7
95.04973	0.7
97.02916	0.2
105.03404	0.3
105.07001	0.2
107.04958	0.3
109.02882	1.2
111.00806	2.4
115.05460	0.3
117.07003	0.6
119.04964	0.2
121.02003	0.1
121.02874	2.2
123.04451	0.8
127.03963	0.6
128.06209	0.1
129.06998	0.2
130.09628	0.1
131.04924	0.6
133.02859	0.2
133.06493	0.1
135.04472	0.2
137.02350	8.3
137.03389	0.5
137.06000	0.2
143.04953	0.1
145.02823	0.4
145.06514	1.0
149.02333	1.0
151.03889	0.1
153.01833	11.0
155.04919	1.3
155.06064	0.2
157.06467	0.2
159.04420	0.3
161.05998	0.8
163.03934	1.4
165.01839	4.2
166.02596	0.5
173.02332	0.1
173.05984	1.8
177.01805	0.3
177.05525	0.3
179.03409	0.4
183.02878	1.4
183.04427	1.1
187.03871	1.1
191.03406	0.3
191.07022	0.2
195.02939	0.5
200.04686	0.3
201.05473	4.9
202.05934	0.2
205.04999	0.6
207.02922	0.2
211.03880	0.4
213.05405	0.3
215.03421	0.4
217.04921	0.2
219.02908	0.2
219.06523	0.7
228.04234	0.7
229.04968	9.9
230.05418	0.2
232.03667	0.2
236.86256	0.1
239.03349	0.5
241.04916	0.1
245.04538	0.2
246.05203	0.2
247.06027	1.2
257.01743	0.3
257.04456	5.7
274.04715	1.4
275.05508	0.4
285.03937	2.5
286.04556	0.2
303.04993	100.0
304.05328	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93364	0.7
53.72002	0.9
55.01876	19.0
55.05511	1.0
56.05037	1.2
56.50333	1.0
56.96569	2.0
57.03442	1.1
58.06599	1.2
59.06122	4.6
61.02951	0.9
66.35661	0.9
68.05015	2.7
69.03427	6.4
70.06593	0.9
70.96948	1.4
72.04519	11.1
72.08151	1.2
73.02885	1.2
82.06593	4.6
83.04978	3.7
84.08141	2.7
85.02913	2.2
85.07664	3.4
86.06081	2.0
86.97211	0.8
87.04483	0.9
97.02873	1.5
98.06060	8.2
98.97591	5.7
100.07622	1.8
103.08710	34.6
109.02891	0.9
110.05378	1.4
110.06055	18.2
110.97541	1.0
111.04434	2.6
112.03952	3.2
112.07613	5.1
113.07139	4.1
116.98648	2.0
122.06053	8.9
128.07086	100.0
129.05466	1.7
136.07571	1.7
139.08623	1.9
140.07072	98.3
146.08133	18.8
148.03876	0.9
152.07074	6.0
154.08649	2.2
157.09740	29.9
158.08130	1.6
164.07066	7.3
170.08122	1.6
174.11176	1.2
182.08136	69.8
199.10832	6.3
200.09187	24.2
205.03709	0.9
205.05479	3.0
217.11845	5.2
219.01804	1.2
225.08698	9.0
230.06984	1.9
241.11879	1.0
243.09818	9.1
243.16893	1.4
248.08183	1.7
258.14487	2.0
267.13437	3.3
284.16071	0.9
285.14508	11.2
302.17130	84.4
303.19254	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01871	3.6
55.05508	8.7
56.05031	2.3
56.96570	4.1
57.03433	5.1
61.02927	3.6
63.17682	1.9
64.96290	1.7
67.05506	11.2
69.03434	14.0
69.07059	2.1
69.21646	21.0
70.06585	7.4
72.08163	84.9
73.02918	3.1
79.05493	6.9
80.97842	1.8
81.03415	7.1
81.07055	9.2
84.04514	6.6
84.08138	3.6
85.02911	75.0
86.09713	32.1
91.05489	7.2
93.07066	3.0
95.04989	7.3
97.02906	37.5
97.06527	3.0
98.97599	5.3
99.04480	1.9
100.07583	2.0
101.02377	2.7
102.05490	1.7
103.03973	3.2
105.07018	3.6
108.08134	9.3
109.02881	9.6
111.00742	2.9
112.07635	3.1
122.06033	7.8
123.08052	2.1
125.06003	4.3
126.05549	7.4
126.09149	3.8
127.03927	21.6
128.07080	2.8
130.06534	21.4
131.04962	2.1
132.10182	10.1
136.07611	14.9
137.02332	7.7
138.05502	2.1
140.07076	43.8
143.11818	45.0
145.04962	7.8
150.09151	4.8
151.03896	2.6
152.07069	18.8
153.01859	8.9
154.08640	5.8
157.13362	4.7
164.07086	17.5
165.01840	4.4
171.09996	2.8
171.11316	20.6
178.08638	16.4
182.08144	60.2
182.99692	5.1
183.02985	2.3
185.12862	3.2
187.03900	2.2
201.00708	3.9
201.05466	5.1
203.14005	4.3
206.06358	4.9
206.08107	24.8
218.08083	2.4
224.07306	2.6
228.04272	2.2
229.04930	10.1
236.09308	2.8
247.05942	1.9
248.09099	5.6
252.06926	7.1
257.04367	3.1
260.11249	2.8
274.04904	2.2
285.04056	2.7
287.05347	2.3
302.04044	2.4
302.07401	3.3
302.10919	7.9
302.17221	2.9
303.05023	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	301.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01862	2.0
55.05512	3.7
56.96574	2.6
57.03445	2.6
57.07061	0.6
58.06598	0.8
61.02925	0.9
67.05489	1.5
69.03435	4.1
69.07055	1.3
69.66325	3.2
70.06589	4.4
71.04984	1.3
72.08170	2.7
73.02919	1.1
79.05474	1.7
81.03418	2.6
81.07041	1.7
82.06561	1.7
83.04992	4.3
84.04527	0.7
84.08136	3.3
85.02914	4.4
85.06556	1.0
85.08922	1.3
86.09715	2.5
87.04462	0.7
88.03977	0.6
91.05482	1.3
93.03362	0.6
93.07051	0.9
94.06548	1.0
95.04991	0.9
96.08130	3.0
96.10413	0.5
97.02876	3.6
97.06532	2.4
98.09701	0.8
98.20789	0.5
98.97604	4.3
99.04451	1.8
100.07616	5.1
101.00878	0.8
101.02361	0.6
101.05978	1.4
102.09165	2.2
103.05443	0.8
105.07080	0.6
107.04946	1.1
109.02859	1.7
109.06479	0.8
110.06055	1.3
111.04441	4.0
111.08076	0.6
112.07589	1.6
112.11224	1.1
113.06035	0.6
115.03946	0.6
116.07078	0.7
116.98608	2.3
119.01910	1.1
119.04977	0.6
120.08117	0.9
121.06477	2.3
121.07652	1.0
122.06013	0.6
123.04424	0.7
123.08044	0.7
124.07605	4.0
125.06023	2.4
125.07933	0.6
126.05524	1.0
126.09145	1.2
127.03912	3.5
128.07121	2.5
128.10713	2.3
129.10236	1.6
130.08612	0.9
134.05940	0.7
135.04437	0.7
136.07550	1.6
137.06006	4.5
139.03868	1.1
139.07610	0.6
139.08633	2.6
140.07056	2.4
140.10701	1.1
142.08644	1.8
143.01947	0.5
143.07039	0.7
145.04965	1.5
146.99721	0.6
149.05969	0.8
151.03943	1.0
152.07066	0.7
152.10716	1.1
153.05495	3.0
154.08676	1.3
154.12248	0.7
156.10243	1.0
157.04958	1.9
158.99710	0.7
161.05997	0.8
162.05429	0.5
164.07037	0.7
164.10728	2.6
165.16792	0.5
166.08514	0.6
167.07039	2.2
169.06752	0.8
177.00737	1.7
177.05450	0.6
178.12251	0.7
182.11777	14.8
187.07507	0.8
202.10736	1.1
205.08551	0.6
206.11800	2.7
207.01894	0.5
209.08005	0.5
210.56267	0.9
211.06389	0.7
211.08203	0.7
219.01712	0.9
221.05078	1.8
224.12827	27.7
237.02875	1.6
241.04990	0.7
242.13885	60.7
255.11427	0.7
256.12000	0.6
269.04666	0.5
269.08173	0.5
283.10175	0.8
283.16550	1.6
286.04770	3.5
301.06952	6.4
301.12546	100.0
301.17795	5.5
301.21384	3.2
302.12698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1072
Annotation	2,5-Dihydroxy-7-methoxy-8-methylflavanone
Peak:m/z	Relative Intensity
53.03944	2.0
67.05524	0.8
68.99798	1.8
69.03444	0.8
69.75715	4.8
79.05502	5.1
81.03415	0.9
81.07056	1.2
91.05484	4.1
95.04980	1.8
101.30223	0.8
103.05473	2.4
105.07048	2.4
107.04959	57.5
109.06540	2.4
111.04424	1.0
119.04947	1.0
121.06503	13.3
123.04414	1.4
124.05225	2.7
135.04422	100.0
135.08005	5.6
136.10371	0.7
137.02374	8.8
137.05986	13.4
139.07559	8.6
147.04405	11.3
149.05963	8.1
151.07556	16.6
161.06036	1.1
163.03906	58.5
163.07541	12.3
164.04454	0.8
164.08347	4.7
165.05530	1.2
167.07059	11.8
171.08105	0.9
179.03419	3.8
181.06563	1.0
191.07085	1.1
198.06750	1.1
213.09068	5.2
240.07915	0.9
240.94737	0.7
241.04958	1.1
241.08575	3.1
258.08936	1.0
267.06512	1.9
269.04623	1.5
273.11234	32.3
283.09695	9.1
286.04562	1.5
301.06998	5.6
301.10651	37.7
301.21719	0.8
321.24280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1072
Annotation	(-)-Sparticarpin
Peak:m/z	Relative Intensity
53.03946	1.4
55.01873	1.2
55.05504	1.7
65.03942	1.4
67.05496	1.4
69.07053	1.4
79.05501	8.6
81.07068	5.1
91.05493	1.2
93.07029	2.3
94.04219	2.6
95.04961	2.9
95.08637	2.5
105.06981	2.6
107.08553	1.3
107.97011	1.2
109.06538	12.6
109.10168	2.7
110.03664	1.6
121.06491	1.1
121.10145	1.0
133.06448	1.0
133.10129	1.3
135.04433	2.2
137.05986	96.2
138.03131	18.3
143.07349	1.4
143.25177	1.1
149.06021	2.1
150.03168	1.4
152.06189	1.3
153.05479	100.0
157.06436	1.0
159.11610	1.5
161.06012	6.9
162.03154	2.2
165.05630	1.2
168.00517	2.5
168.05759	1.1
171.08076	2.0
175.61194	1.2
177.05452	5.6
181.05025	1.5
181.06493	2.9
184.05284	1.4
184.07724	1.3
186.09157	3.3
193.04993	1.8
197.05981	1.3
198.06787	1.8
199.07491	1.1
199.14769	1.0
202.11034	1.3
203.11790	1.4
213.05489	2.6
213.08986	1.7
214.08612	3.5
215.06091	1.3
226.06303	2.6
227.06891	1.2
231.11302	1.5
239.07118	1.1
241.04907	2.7
241.08528	4.8
255.11336	3.1
257.04611	1.3
258.05270	1.8
259.10797	16.6
269.04984	1.7
269.08099	9.4
273.07568	1.4
273.12241	1.1
283.10510	1.3
285.03909	1.5
286.04718	18.9
292.41711	1.1
301.06992	30.7
301.11139	15.0
301.21689	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1073
Annotation	Isosativanone
Peak:m/z	Relative Intensity
55.05491	0.9
56.96554	1.2
60.49419	0.8
62.49612	0.8
64.50690	0.8
65.03937	1.5
65.80051	0.9
67.05492	2.5
67.82404	0.9
69.07067	1.1
70.71030	0.9
71.06805	0.8
71.07161	1.6
72.16801	0.8
72.59187	0.8
77.03883	1.1
79.05497	3.6
81.07058	3.9
89.06007	0.9
91.04960	1.8
91.05483	18.9
93.03365	1.3
93.07061	1.3
95.04974	3.1
98.97542	1.1
103.05486	3.4
105.03418	1.9
105.07026	1.7
107.04969	1.4
107.08617	1.2
109.06521	1.2
111.08136	1.6
117.06991	1.2
119.04980	2.0
121.06529	2.3
123.04441	25.2
124.05226	1.8
131.04910	1.4
134.03645	2.2
135.04399	1.3
137.05997	4.9
139.07555	5.7
141.06987	1.1
145.10059	1.0
147.04436	3.4
149.05962	2.2
151.03949	1.1
152.01036	1.1
153.01820	2.2
153.05463	3.5
162.03120	3.5
163.03925	3.0
165.01990	1.0
165.07008	1.3
167.07066	26.6
167.08482	1.5
169.10130	0.9
175.03865	2.6
177.05487	35.3
179.08455	1.6
191.07097	5.2
192.04202	2.8
193.12143	1.0
194.07335	3.5
203.03423	5.3
205.04970	75.1
211.07535	1.3
213.05400	1.0
221.04456	1.8
227.10648	1.0
229.04988	1.3
237.09221	2.0
239.07039	1.3
240.07771	1.3
241.05054	2.0
250.06468	1.1
253.08582	2.0
255.10190	2.0
258.05234	3.2
258.07916	1.5
259.08542	1.1
263.07098	4.3
265.08615	9.2
269.04471	1.9
269.08163	0.9
273.11349	1.1
281.08081	6.4
283.09665	100.0
284.09964	1.6
286.04810	6.3
286.07620	2.2
301.03510	1.8
301.07047	24.7
301.10403	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	301.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73835	1.4
55.98216	1.2
65.03937	1.4
67.05507	2.7
69.07066	1.4
69.90773	5.6
79.05484	1.6
81.07073	2.9
82.40179	1.3
91.05495	18.7
93.07027	1.7
95.04967	1.3
95.08606	2.5
103.05487	2.2
105.07022	3.8
107.08639	1.6
109.10172	1.6
118.85975	1.3
119.08604	3.4
121.06519	3.0
129.07008	1.4
131.04988	1.7
134.03661	2.8
137.06067	6.1
147.01083	1.3
149.06039	3.4
153.05484	4.6
162.03148	2.1
175.03862	2.3
177.05490	33.4
191.08586	1.9
192.04236	1.8
194.07259	3.7
203.03427	4.7
205.04971	78.7
222.06711	2.1
237.09013	1.3
241.04987	1.9
253.08560	2.0
255.10185	1.5
258.05197	1.8
263.07068	4.1
265.08679	8.4
269.04358	1.7
281.08234	6.5
283.09671	100.0
286.04755	10.2
301.07043	19.6
301.10095	3.0
301.21753	3.0
301.25211	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1072
Annotation	Isosativanone
Peak:m/z	Relative Intensity
52.48324	0.9
55.01864	2.0
55.05506	1.5
65.03944	1.5
67.05507	3.5
69.03375	0.9
69.07068	6.2
71.58386	1.4
79.05493	2.9
81.07097	4.3
85.06574	1.0
89.03955	0.9
91.05489	22.7
92.05801	0.9
93.03407	1.4
93.07063	4.6
95.04956	2.1
95.08597	3.7
97.06553	1.0
103.05452	4.7
105.03392	1.7
105.07017	4.7
107.04945	2.4
107.08604	3.9
109.06514	2.3
109.10159	2.9
111.04497	1.0
115.05439	1.0
117.07040	1.8
119.04953	1.0
119.08600	2.9
121.02875	1.1
121.06525	4.9
121.10137	2.2
123.04527	0.9
131.04916	2.2
131.08575	1.4
133.10121	2.0
134.03632	2.0
135.04416	1.5
135.11697	2.5
137.02299	1.5
137.05971	7.1
138.03157	1.4
142.88225	0.9
145.10097	2.2
147.04453	1.1
147.11742	1.1
149.02382	5.4
149.03445	1.0
149.05989	8.6
151.03885	6.1
153.05476	4.0
157.10085	1.1
159.04433	2.6
161.05876	1.4
162.03143	2.1
165.01877	2.5
165.07008	1.7
166.07770	1.1
167.03381	3.8
175.03908	1.7
177.05481	82.4
178.05811	2.3
178.07860	1.2
179.06055	2.2
179.08530	1.1
183.02954	1.1
191.07040	1.4
191.08586	1.4
191.56541	0.9
192.04153	2.1
194.07303	4.4
203.03386	5.3
205.04973	73.5
207.08055	1.2
211.07545	1.1
217.05186	1.2
221.04485	1.2
222.06801	1.2
225.05344	1.2
225.09082	1.3
227.10713	1.0
235.07681	0.9
237.08997	0.9
240.07835	1.1
241.05058	1.5
241.08560	1.1
245.04465	1.7
253.08537	1.9
255.10202	2.5
258.05054	1.6
263.07068	3.5
265.08606	9.3
268.07358	1.2
269.04297	1.0
269.08157	0.9
281.08051	5.3
283.09671	100.0
285.03961	1.4
286.04767	5.7
286.07437	1.4
301.03445	2.9
301.07074	15.4
301.10205	4.0
301.14218	2.5
301.17838	3.3
301.21603	5.4
301.24866	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	301.1071
Annotation	(-)-Sparticarpin
Peak:m/z	Relative Intensity
51.02375	0.2
53.03946	0.7
55.01881	0.3
59.69890	0.2
63.64668	0.2
65.03944	0.4
66.04736	0.3
66.31840	0.2
67.05507	0.3
67.83716	0.3
70.24679	0.2
71.47906	0.4
73.91451	0.2
77.03917	0.4
79.05494	6.1
81.03412	0.4
81.07066	2.5
82.04202	0.7
91.05487	0.5
94.04199	1.9
95.04986	1.2
105.03428	0.6
107.04971	0.8
109.06530	11.8
110.03686	2.0
125.05983	0.8
133.06560	0.3
137.05984	88.8
138.03127	21.1
138.06299	0.4
141.07019	0.3
148.05174	0.5
153.05473	100.0
154.05791	0.3
161.05980	4.0
162.03116	0.5
165.01854	0.9
177.05470	1.0
177.06908	0.2
181.06509	0.3
183.02849	0.3
185.41409	0.2
193.04964	0.3
197.05945	0.3
198.06799	0.3
199.07616	0.3
213.09053	0.4
226.06325	0.4
241.08568	0.8
241.58583	0.3
264.64297	0.3
269.08130	2.5
270.08771	0.3
301.07083	1.4
301.10602	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01866	7.9
55.05502	7.1
56.05006	3.0
56.96572	56.3
57.03444	17.2
59.04996	6.4
61.02930	14.7
67.05511	4.8
69.03075	2.9
69.03435	39.0
69.07045	3.1
70.06591	6.8
70.22745	11.0
70.98126	4.1
71.04992	6.0
71.95240	2.8
72.08153	15.1
73.02934	13.9
73.06533	5.3
77.06961	2.5
81.03426	18.9
83.04951	6.4
84.04500	10.9
84.08131	8.1
84.96021	9.7
85.02912	93.1
85.03425	4.9
85.06551	4.3
86.03218	3.2
86.06074	3.4
86.09687	6.0
87.04460	6.5
91.03933	3.4
95.04949	4.7
97.02898	39.1
98.06069	2.7
98.09692	4.3
98.20811	3.3
98.97591	100.0
99.04440	11.5
100.99119	2.7
102.09160	4.9
103.08675	3.8
109.02889	11.3
110.06047	4.9
110.07126	3.0
110.97585	21.2
111.04469	2.8
112.07616	8.6
112.11253	7.0
112.99133	10.7
115.00706	2.6
115.03960	3.3
116.98626	36.4
119.01809	4.9
119.04951	2.4
124.03925	3.5
124.99082	2.8
125.04297	5.0
127.00662	5.9
127.03933	18.1
128.07060	8.8
128.10695	9.8
128.98633	12.5
129.02235	3.1
129.13858	3.3
130.08641	5.7
131.00151	9.0
134.99678	4.6
136.50970	2.6
137.05980	10.3
139.09476	2.7
140.07097	6.2
143.00153	6.1
145.01753	7.1
145.04959	11.5
146.99640	4.4
147.03247	8.2
147.04343	3.6
148.03807	2.6
152.07063	5.3
153.05447	4.5
155.04678	20.3
156.03406	5.3
156.10164	3.2
158.11737	5.8
158.99692	35.0
159.03314	2.6
161.01259	4.8
161.33040	2.6
164.05170	5.7
165.04445	5.5
168.03519	3.6
168.05363	4.1
169.04390	8.5
170.99646	6.1
171.03275	3.3
173.01201	3.8
174.04535	6.5
174.55089	2.7
175.02788	4.2
175.04465	4.0
177.00696	18.5
178.04961	24.6
182.08179	4.8
184.04973	3.5
186.04428	10.2
189.00847	4.0
189.04283	7.5
191.02359	3.5
194.03459	12.9
201.00684	6.7
204.05032	3.7
210.56239	3.6
211.05144	5.1
211.07277	2.9
219.01785	27.1
219.56853	3.6
220.07811	10.1
224.12944	4.0
227.06795	8.8
229.11790	3.7
232.96431	6.0
236.05031	6.8
236.07227	3.6
237.02814	27.4
238.11972	4.4
242.13878	7.8
286.04758	7.2
291.07474	17.3
295.96088	3.4
301.09106	41.4
301.11569	3.0
301.14551	3.0
301.17593	85.8
302.17310	3.3
309.08643	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	301.0706
Annotation	Rengasin
Peak:m/z	Relative Intensity
52.81066	0.3
53.03949	1.4
55.01878	8.4
55.05508	1.2
55.29573	0.3
56.26922	0.3
56.96558	0.6
57.03438	0.4
57.07078	0.4
58.06608	0.6
59.05003	0.8
65.03932	1.0
66.18227	0.3
67.01865	0.5
67.05515	1.2
68.99792	6.2
69.03438	1.8
69.07075	1.2
69.61179	0.3
69.78458	1.8
76.07642	0.4
77.03899	0.3
79.01868	2.2
79.05492	1.8
81.03420	4.5
81.07063	1.2
82.57587	0.3
83.01359	0.6
83.05003	0.7
88.56339	0.3
91.05521	1.6
92.99775	2.1
93.07046	1.3
94.04167	0.4
95.04987	3.2
95.08607	0.6
97.02890	2.1
98.21473	0.6
99.00819	3.1
102.96372	0.3
103.05469	0.3
105.03407	0.4
105.07032	0.9
107.04963	20.4
107.08602	1.1
109.02888	1.4
109.06520	1.3
109.10159	0.7
111.00778	0.4
111.04426	2.0
117.07038	0.3
118.04172	0.5
119.08581	0.7
121.02886	2.5
121.06514	3.5
121.10170	0.8
123.00772	1.1
123.04444	6.5
131.04904	0.4
131.08559	0.5
133.02852	1.3
133.06480	1.5
134.03627	0.4
135.04430	6.5
137.02345	5.5
137.05980	6.5
138.03085	1.2
139.03911	50.2
141.01839	12.9
143.08464	0.5
145.06494	1.1
145.10165	0.4
147.00783	0.4
149.02347	1.8
149.05978	3.8
151.03908	5.1
151.07520	0.5
153.01808	0.7
153.05490	5.7
153.06792	0.5
155.03400	0.6
157.06522	0.6
159.08067	0.5
159.11719	0.3
161.06006	3.3
162.03096	0.5
163.03931	1.2
163.11148	0.5
165.01846	100.0
166.02194	0.8
167.03458	0.8
171.08110	0.7
173.06052	0.3
175.07516	0.4
177.05482	13.5
178.05923	0.3
179.03404	16.5
181.06488	0.9
183.02902	68.9
184.03212	0.8
185.05902	0.7
189.05063	0.3
193.05013	3.4
195.02905	8.5
198.06819	0.6
199.07607	1.1
205.05009	1.0
206.04587	0.4
209.05983	0.5
213.05380	0.8
213.08983	0.5
223.02925	0.5
226.06223	0.5
226.32098	0.3
227.07062	1.6
237.05582	0.4
241.08586	1.0
245.13841	0.6
255.06519	7.5
258.05142	1.0
269.08258	1.8
271.06113	0.5
273.07745	1.7
273.11157	1.3
280.12326	0.4
283.06253	0.6
283.09583	1.2
285.11087	0.5
286.04794	3.0
286.07593	0.7
300.32541	2.5
301.03607	0.5
301.06989	16.7
301.10522	7.6
301.14154	0.5
301.21536	1.0
301.32852	0.8
302.07318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Koparin
Peak:m/z	Relative Intensity
55.05532	0.4
57.03432	1.8
57.73366	0.4
58.31291	0.4
59.10241	0.4
69.46992	0.4
69.47255	0.7
69.47662	1.8
81.03403	1.0
85.02905	1.2
91.05441	0.4
98.16526	0.4
105.03437	0.5
111.04456	0.5
115.05482	0.9
121.02835	0.4
123.93342	0.4
124.07564	0.4
128.06267	0.8
129.07013	1.0
129.55403	0.4
133.02849	0.5
133.79050	0.4
135.04320	0.6
137.02339	16.9
137.05971	1.0
139.03824	0.4
139.05502	0.4
141.07018	2.4
147.04390	1.5
149.02341	0.9
150.03107	2.7
153.01881	0.4
157.06490	5.9
163.03854	0.4
166.02258	0.4
168.05734	1.1
169.06500	1.6
171.04433	1.2
171.08043	0.6
175.03925	1.2
184.05219	0.9
185.05986	2.3
187.03964	2.8
188.04648	1.9
189.05438	4.6
191.03423	0.9
193.05049	0.9
196.05257	0.6
197.06007	7.1
199.03934	1.1
201.05518	0.5
211.07515	0.8
212.04642	2.1
213.05470	25.3
215.03467	1.4
217.05020	0.8
225.05400	2.6
227.07005	3.3
229.05142	0.4
231.06328	0.4
240.04170	1.1
241.04967	20.7
241.08879	0.8
245.08145	1.7
255.06531	4.0
258.05103	0.6
268.03671	2.2
269.04462	20.6
270.05057	0.4
273.07336	0.7
283.06094	2.5
286.04727	6.5
286.14178	0.4
301.07065	100.0
302.07401	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	alnusin
Peak:m/z	Relative Intensity
53.03938	0.8
55.01620	0.4
55.01875	5.2
55.05515	0.3
55.43995	0.2
56.96562	0.4
57.03423	0.2
57.07076	0.4
59.05003	1.1
61.99988	0.2
65.03944	0.7
67.05500	0.6
68.99788	3.8
69.03434	1.2
69.03757	0.2
69.07068	0.5
70.74686	0.2
71.35206	0.2
71.56359	0.2
73.40627	0.2
79.01855	2.5
79.05496	0.6
81.02975	0.3
81.03423	3.6
81.07042	0.8
82.60832	0.2
83.04963	0.2
83.08656	0.2
91.05501	1.1
92.99763	1.8
93.07028	0.7
95.01317	0.2
95.04980	0.5
95.08613	0.5
97.02902	1.4
97.06543	0.2
99.00835	2.2
102.78990	0.2
104.10750	0.4
105.07037	0.5
107.04939	0.4
107.08595	0.2
109.02910	0.9
109.06501	0.4
109.10136	0.4
110.37288	0.2
119.08559	0.3
121.02876	0.4
121.06474	0.3
121.10135	0.2
123.00793	1.4
123.04433	2.2
125.05945	0.2
129.16531	0.2
133.10152	0.4
135.04420	0.7
137.01341	0.4
137.02361	4.9
137.05981	4.5
138.03120	0.4
141.01837	7.4
141.81175	0.2
144.03848	0.2
145.10138	0.4
147.00809	0.5
147.11684	0.2
149.09683	0.2
149.54929	0.7
151.03897	1.7
153.01862	0.2
153.05461	2.3
155.03400	0.5
157.10205	0.2
161.05904	0.4
163.03937	0.5
163.11249	0.2
165.01842	100.0
166.02205	0.7
169.10167	0.2
177.05469	1.2
179.03384	1.2
183.02896	67.2
184.03218	0.5
185.05986	0.3
191.03426	3.4
197.04417	0.3
205.04906	0.5
206.04454	0.3
212.04808	0.2
213.05580	0.4
217.05066	0.3
229.04872	0.3
241.04974	0.4
258.05322	0.6
259.06079	0.8
269.04468	0.4
283.06073	0.8
283.09427	0.9
286.04721	1.3
286.07364	0.3
296.09018	0.3
301.07056	21.7
301.09805	1.1
301.14282	0.6
301.21518	0.6
301.25360	0.7
302.07471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0709
Annotation	7',3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
51.02380	1.6
53.00304	2.7
53.03934	2.7
55.01876	4.6
56.96560	3.1
65.03942	2.3
67.05506	3.4
68.99790	3.1
69.03418	3.4
69.07066	2.3
70.07935	4.9
70.08278	1.3
75.09322	1.0
79.01855	3.2
79.05512	9.3
81.03412	2.6
81.07054	5.3
91.05476	5.7
93.03406	1.5
93.07046	2.2
94.04200	2.1
95.01312	5.3
95.04985	2.2
95.08587	1.9
97.02883	3.1
97.06525	1.1
98.97580	4.7
103.05470	1.9
105.03362	1.3
105.07050	6.4
107.01307	11.2
107.04959	4.5
107.08622	2.1
109.02895	5.9
109.06522	13.2
110.03659	1.3
113.02418	1.6
115.05483	2.6
116.98694	1.6
117.07062	1.2
118.04196	6.0
119.04987	7.2
119.08601	3.3
121.02907	1.3
121.06530	6.0
123.00761	1.7
125.02348	1.2
125.05954	2.0
128.06247	5.8
129.07008	4.7
131.04935	1.7
131.08630	1.9
133.02826	1.7
133.06534	5.1
133.10080	2.3
134.03656	1.5
135.04411	6.7
137.02345	4.2
137.05991	85.7
138.03142	19.9
139.03922	5.7
139.05429	2.3
140.06219	5.2
141.06970	3.9
144.05684	6.4
145.06488	2.4
145.10196	1.2
147.04457	4.4
147.08070	2.2
149.05963	7.2
150.06805	1.7
151.03914	7.5
152.06232	5.3
153.01871	4.2
153.05481	100.0
153.06915	4.9
155.04947	1.8
156.05748	2.3
157.06509	1.6
158.07240	5.3
159.04449	2.6
159.08073	14.8
161.05956	8.7
165.01840	3.1
168.05737	18.3
169.06479	3.2
170.07231	1.7
171.08044	10.1
172.05261	1.3
172.08862	1.1
175.03938	2.7
176.04750	3.2
177.05499	4.2
181.06500	3.0
182.07378	1.3
183.08073	15.5
184.05220	6.3
185.06001	4.6
186.06833	2.9
187.07585	10.7
189.05386	1.2
196.05219	7.7
197.05980	5.2
198.06796	2.2
199.07607	4.3
200.04668	1.4
201.00751	1.7
201.09122	4.9
205.05006	4.1
208.05249	2.8
209.06047	1.4
211.07570	16.1
212.04703	1.4
213.05536	4.0
213.09164	1.4
214.06326	2.8
215.07043	2.2
224.04794	3.9
225.05608	1.6
226.06161	1.3
227.07045	10.1
229.04980	2.6
229.08670	5.1
239.07050	21.0
239.09244	1.7
240.04263	1.9
241.05037	4.4
241.08650	3.1
242.05634	1.4
245.08133	8.6
255.06593	13.5
256.07184	2.5
257.08112	91.5
258.05399	3.8
258.08301	1.8
268.03656	1.6
269.04578	2.7
269.08102	5.1
272.06796	2.4
273.07605	40.2
283.06079	37.1
283.09604	4.6
285.07391	1.3
286.04770	4.9
286.07498	2.0
301.07117	60.4
301.10583	11.4
301.15274	4.4
301.21771	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	301.0707
Annotation	Koparin
Peak:m/z	Relative Intensity
62.41419	0.4
68.99789	1.5
69.68662	2.2
88.70585	0.3
88.84515	0.4
89.03918	0.9
93.10970	0.4
98.21531	0.6
103.05450	0.4
123.00774	1.3
124.01579	1.6
129.06961	0.7
131.04901	1.3
134.03644	6.7
141.07033	0.4
145.06493	0.5
149.02299	0.8
152.01048	2.4
153.01834	15.5
157.06499	0.9
170.02139	0.8
174.06718	0.5
185.05867	0.9
187.03842	0.9
199.03937	1.2
201.05518	1.0
202.06326	2.0
212.04626	0.4
213.05460	4.6
229.04962	13.8
230.05740	4.0
241.04958	19.3
245.08148	1.3
257.04816	0.5
258.02832	0.4
258.05240	2.4
262.20865	0.4
269.01569	0.6
269.04456	13.3
285.03918	2.6
286.04739	22.0
287.05005	0.6
289.66248	0.5
301.07074	100.0
302.07376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Koparin
Peak:m/z	Relative Intensity
55.05499	0.2
64.87007	0.2
65.03931	0.8
65.09925	0.2
67.05497	0.3
67.33311	0.3
69.39960	1.2
69.40388	0.6
71.04973	0.2
79.05490	0.4
81.07061	0.2
87.97043	0.2
89.03909	0.5
93.07030	0.6
95.01328	0.3
95.08595	0.3
100.00656	0.2
105.03413	0.3
107.01311	0.2
109.06519	0.2
115.05451	0.2
120.04442	0.4
121.06542	0.4
123.00812	1.0
124.01606	1.2
128.06206	0.7
129.07011	2.4
133.02870	0.3
134.03639	4.1
135.11588	0.2
137.02318	0.5
137.05995	0.4
139.05460	1.0
141.07024	0.3
145.06526	0.2
148.03941	2.6
149.05945	0.3
151.00156	0.2
152.01057	14.3
153.01842	9.0
156.05725	0.4
157.06528	1.4
166.05023	0.4
167.04948	1.8
169.06427	0.3
170.02129	2.7
173.05876	0.3
174.06758	0.7
175.03917	1.1
184.05217	2.4
185.06003	4.2
195.04366	1.4
197.05965	0.3
201.05463	0.7
202.06290	3.1
203.03423	0.3
212.04691	2.4
213.05472	4.2
213.14481	0.2
214.06046	0.3
223.03853	0.6
227.07036	0.4
229.04956	5.7
230.05756	4.4
240.04126	1.0
241.04965	11.5
242.05502	0.4
245.08122	3.9
255.06552	0.6
255.11351	0.5
257.04465	0.5
258.05182	1.3
259.10754	0.4
269.04471	8.4
270.04813	0.3
273.07608	0.6
273.12314	0.2
283.05896	0.2
283.10510	0.4
285.03995	3.7
286.04730	22.3
301.07074	100.0
302.07404	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Diosmetin
Peak:m/z	Relative Intensity
61.20841	0.4
65.66121	0.4
68.99775	0.9
69.68433	1.3
69.68839	1.1
89.03926	0.8
95.28655	0.4
98.21354	0.6
103.84673	0.4
108.89771	0.4
123.00775	0.6
124.01575	1.2
129.06963	0.4
131.04904	0.7
134.03632	5.1
137.05898	0.4
138.49571	0.4
149.02327	0.7
152.01057	2.0
153.01840	11.9
153.05412	0.8
157.06490	0.5
170.02136	1.0
171.04462	0.5
180.12502	0.5
182.08818	0.5
185.06021	1.2
187.03851	0.5
199.03928	1.0
201.05585	0.5
202.06241	1.4
212.04619	0.5
213.05493	3.7
229.04961	11.1
230.05763	3.2
241.04941	12.1
245.08083	1.1
257.04483	0.8
258.05267	12.1
269.04446	16.7
283.06036	0.5
285.03995	2.0
286.04727	33.0
287.04968	0.5
301.07071	100.0
302.07391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0701
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.30447	0.3
55.01876	0.7
55.05517	0.6
64.61272	0.3
65.02114	0.3
65.65246	0.3
67.05507	0.9
68.99804	0.9
69.07063	0.5
69.59074	0.6
69.59482	1.5
79.05491	0.9
80.42830	0.3
81.07060	1.0
85.02907	0.4
91.05506	1.3
93.07047	1.2
95.04971	0.7
95.08625	0.6
95.32587	0.3
97.02901	0.4
97.06537	0.6
100.80177	0.4
103.05454	0.4
105.07049	0.7
107.05004	0.7
107.08572	0.5
109.06550	0.4
109.10176	0.5
115.05525	0.4
119.04955	0.7
119.08559	0.7
121.02897	0.8
121.06506	0.7
121.10178	0.6
123.00830	0.6
123.04458	1.0
124.01672	0.4
128.06219	0.4
129.07068	0.8
131.04970	0.8
131.08559	0.7
131.10365	0.3
133.02902	0.4
134.03639	2.7
135.04477	0.7
137.02357	1.3
137.06010	1.1
137.09648	0.5
139.07547	0.6
145.10143	0.5
147.04466	0.5
149.02342	1.1
149.05994	0.8
151.03918	1.4
152.01053	1.3
152.06236	0.6
153.01840	8.1
153.05595	0.6
153.07021	1.2
154.06316	0.5
156.05716	0.4
157.06502	0.8
159.11673	0.4
161.05980	0.6
163.03915	1.1
165.05539	0.5
165.07033	0.7
167.07053	0.8
168.05698	0.4
170.02135	0.7
171.03009	0.4
171.04422	0.5
171.08028	0.7
173.05952	0.8
174.06696	0.4
175.03891	0.8
177.05434	0.4
181.05074	0.4
181.06522	1.0
183.07953	0.5
184.05240	0.8
185.06055	1.3
187.03999	0.8
187.07516	0.4
189.05466	0.5
191.07146	0.6
193.04970	0.3
195.08015	0.3
197.06036	1.0
198.06880	0.7
199.03844	0.5
199.07585	1.2
201.05467	0.7
202.06281	1.1
202.11046	0.6
209.06079	0.7
211.07664	0.6
211.41766	0.3
212.04697	1.0
213.05496	2.9
213.09230	1.0
214.08646	0.8
217.08600	3.1
219.06595	0.6
223.07610	0.4
226.06351	0.9
227.07083	1.9
229.04962	7.0
230.05737	1.9
230.92305	0.3
231.06561	0.7
240.04181	0.7
240.08203	0.3
241.04961	8.3
241.08475	1.8
242.09474	0.5
243.06551	0.3
245.08058	1.6
255.06628	0.9
255.10333	1.2
257.04520	1.1
257.07925	0.3
258.05261	17.2
259.05872	0.5
259.10898	3.6
269.04523	7.0
269.08142	2.1
270.09067	0.4
273.07773	0.5
273.11356	1.1
283.06110	0.8
283.09537	0.7
285.04007	1.3
285.07294	0.6
286.04742	30.8
287.05237	0.4
301.07141	100.0
301.10739	15.9
301.21729	0.9
302.07507	1.8
302.17590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Koparin
Peak:m/z	Relative Intensity
52.96587	0.2
53.03942	0.2
55.05497	0.5
57.03423	0.2
67.05497	0.6
68.99786	0.9
69.03436	0.5
69.07069	0.3
69.33022	0.5
69.33423	1.5
79.05486	0.6
79.76348	0.2
81.07067	0.6
82.54695	0.3
83.04963	0.3
89.03936	0.5
91.05480	0.8
93.07061	1.0
94.04188	0.4
95.04941	0.5
95.08602	0.8
97.02898	0.2
97.06510	0.4
103.05495	0.3
105.03389	0.6
105.07022	0.9
107.04981	0.3
107.08596	0.6
109.06543	0.3
109.10159	0.5
111.04491	0.4
111.08044	0.3
113.09674	0.2
115.05426	0.3
117.03358	0.3
117.07034	0.2
119.08569	0.5
121.02875	0.5
121.06506	0.7
121.10142	0.4
122.03667	0.3
123.00775	0.5
123.04450	0.5
124.01556	0.8
127.03961	0.3
128.06242	0.5
129.06976	0.5
131.08583	0.4
133.10121	0.3
134.03639	4.1
135.04375	0.4
135.08041	0.2
137.02336	1.3
137.05984	4.4
139.03900	0.6
139.05412	0.7
139.07620	0.3
141.07062	0.3
145.06456	0.5
145.10138	0.6
147.04462	0.4
149.02344	1.5
149.05975	0.4
150.03128	0.4
152.01067	1.7
153.01831	6.7
157.06482	1.4
157.08650	0.3
157.10156	0.4
159.11693	0.5
161.02306	1.4
161.05971	0.3
163.03844	0.3
165.07001	0.4
167.03386	1.7
167.04794	0.5
169.06473	0.3
170.02057	0.7
171.04410	0.5
173.06010	0.2
175.03931	0.3
179.03348	0.2
181.06479	0.5
184.05165	1.4
185.06004	1.8
187.03923	0.8
188.04718	0.4
189.05492	0.3
195.04411	0.9
197.05988	0.8
198.06970	0.3
199.03894	0.9
199.07520	0.4
201.05513	1.0
202.06316	1.1
212.04698	1.9
213.05464	5.2
216.04160	0.3
217.04994	0.4
223.03964	0.6
227.07086	0.5
229.02838	0.5
229.04982	6.5
230.05745	2.8
231.06631	0.3
240.04085	1.2
241.04970	10.5
241.08864	0.8
245.08093	3.4
255.06363	1.2
257.04504	1.5
258.05267	7.3
258.07382	0.2
259.10928	0.4
268.03708	1.2
269.04465	9.2
270.05057	0.3
273.04599	0.2
273.07581	1.5
273.10074	0.2
283.06012	1.0
285.03992	1.5
286.04733	23.6
287.05035	0.4
288.97458	0.2
301.07080	100.0
301.21722	0.8
302.07388	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.0
55.05502	1.6
56.96572	2.3
65.37479	0.9
67.05508	2.8
69.03432	3.2
69.07071	86.0
70.02950	1.2
70.06596	28.1
71.03970	1.2
71.04342	2.3
71.74308	0.8
71.86876	0.9
72.08154	2.3
76.11872	0.8
77.55043	0.9
79.05494	1.8
81.03443	1.8
81.07047	1.4
82.06574	1.7
83.04977	1.0
84.08141	3.3
85.02907	3.3
85.06556	1.0
86.09715	2.1
88.03996	7.0
91.05480	1.1
93.07039	0.9
94.06564	1.6
95.04975	7.2
97.02879	5.3
97.06523	5.8
98.09721	0.9
98.97589	2.2
101.10783	1.8
102.05547	1.3
106.06598	1.6
108.08182	0.9
110.06065	1.7
110.07171	1.2
111.04426	1.4
112.07616	20.7
113.06036	1.0
116.07076	3.5
121.06484	1.4
122.06079	1.9
123.04428	4.0
124.03945	1.8
127.03928	2.3
128.07101	2.4
130.06522	1.4
134.17305	0.9
136.07559	2.8
137.05971	5.3
138.05511	1.5
138.09172	1.0
140.07071	92.9
141.05446	2.9
149.00546	1.8
152.08221	1.4
155.11761	1.1
156.06491	1.1
157.07668	2.0
162.01974	1.0
162.05588	0.9
164.07033	1.6
168.06569	100.0
169.04955	10.0
169.06253	1.1
169.06937	0.8
170.73537	1.0
173.61046	0.9
182.08228	4.5
196.04340	1.6
200.09227	2.2
213.08438	1.0
219.07184	1.3
254.10278	5.9
254.13705	2.4
268.13089	1.3
282.09763	36.7
285.07135	6.2
300.06030	2.1
300.09479	10.8
300.14661	2.9
300.19098	3.0
301.12631	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	9.9
61.14719	0.8
70.75195	1.8
71.95259	3.3
84.09794	0.7
84.14172	0.8
90.00248	0.8
98.97589	100.0
99.97923	4.1
101.97202	2.3
102.96864	2.8
116.98628	48.4
117.98967	2.7
119.98220	1.0
120.97954	2.0
134.99655	12.4
136.00058	1.0
137.05989	0.9
140.00279	1.2
153.00734	1.0
155.07036	0.9
174.97672	0.9
177.00929	2.5
198.97763	1.1
201.01057	1.1
214.95125	1.0
216.98717	1.6
219.02022	6.9
220.02177	1.1
232.96404	2.0
234.96480	0.9
234.99783	1.9
240.98764	2.0
241.98886	1.5
250.97450	0.9
254.93466	2.4
254.96187	1.2
258.97061	2.2
258.99774	37.7
259.05182	2.0
259.99939	19.5
260.99631	1.3
261.02948	2.0
264.99283	1.0
272.94345	3.2
276.97647	2.7
277.00809	37.7
277.97415	2.8
278.00998	20.8
278.04102	1.3
278.94199	0.9
278.96790	5.2
279.00650	1.4
282.99976	5.1
295.95645	4.0
296.97778	3.1
300.97556	3.9
301.01089	6.4
301.09802	4.3
301.13831	1.0
313.97223	1.4
318.98602	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	299.0916
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
52.03160	0.6
69.37577	2.4
70.25505	0.3
76.10551	0.3
89.37057	0.3
98.21561	0.6
103.08237	0.3
107.04962	0.7
118.04168	0.4
134.03613	0.5
135.04416	0.9
136.01524	0.4
137.02328	4.2
137.05954	0.4
147.04416	0.5
148.05168	2.2
149.02356	1.1
153.07158	0.4
155.97606	0.3
162.03131	2.2
163.03922	0.7
165.07085	0.4
167.03389	3.8
181.06487	0.7
182.07315	0.6
197.05978	1.3
199.07471	1.6
209.05974	0.6
210.06775	2.2
213.05470	1.9
225.05550	0.6
226.06206	0.9
227.06996	1.0
237.05476	16.4
238.06261	7.0
238.87938	0.3
239.07025	0.9
241.04868	1.7
243.10239	2.0
252.04251	0.8
253.04958	1.7
254.05650	0.5
255.06526	13.6
255.90594	0.4
256.07059	0.4
265.05005	9.4
266.05743	12.8
267.06482	3.5
268.07294	0.5
269.04514	2.6
269.07410	0.4
283.06027	23.9
284.06750	5.9
299.09149	100.0
300.09470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0915
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.05511	0.3
68.99776	0.4
69.07059	0.4
70.86144	0.5
72.34854	0.2
79.05476	0.6
81.07042	0.6
89.03956	0.5
91.05502	0.4
93.07057	0.4
95.08591	0.5
98.97572	0.3
101.97946	0.2
105.07022	1.1
107.04971	0.4
107.08594	0.4
109.10138	0.4
115.05465	0.4
118.04153	0.4
119.04931	0.6
119.08553	0.2
121.06509	0.6
121.10107	0.3
123.00803	1.7
128.06210	0.3
129.07001	1.0
131.04886	0.4
131.08580	0.2
132.05716	0.8
133.06485	0.9
134.07275	0.5
135.04416	2.9
137.02335	1.3
139.05435	0.4
141.06960	0.5
145.10043	0.3
147.04379	0.4
148.05196	0.6
151.00233	1.1
151.03973	0.3
152.01056	2.6
153.01779	0.5
153.07040	0.4
157.06517	1.1
161.05989	2.9
167.04988	0.3
168.05743	1.3
169.01334	0.5
169.06483	0.6
170.02127	0.4
172.08905	0.4
182.07262	0.7
183.08087	1.4
184.05295	0.3
185.05972	2.6
195.04419	0.6
196.05203	0.8
197.05959	1.2
198.06723	0.3
199.03909	0.4
199.07581	1.2
200.08276	0.9
210.06720	0.9
211.07555	3.1
213.05460	3.7
223.03810	0.4
224.04674	1.0
225.05486	0.8
227.07048	1.8
228.07738	1.1
235.13248	0.2
238.06261	0.6
239.07034	5.6
240.04135	0.3
240.07993	0.3
241.04959	10.9
241.07417	0.5
243.06602	0.5
243.07742	0.3
243.10164	2.5
252.04134	1.3
253.04906	2.1
255.06564	1.7
256.07297	5.9
267.06552	3.8
268.03671	1.4
268.06787	0.3
269.04453	9.0
271.05997	0.3
271.09756	0.6
281.08096	0.3
283.06033	18.6
284.06793	74.7
285.07040	0.8
299.05539	18.9
299.09058	100.0
300.09488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
55.01855	0.1
65.03919	0.1
67.05502	0.1
68.99786	0.3
71.63675	0.1
79.05481	0.2
81.07021	0.1
89.97999	0.1
91.05473	0.2
95.01350	0.1
95.08600	0.1
96.02092	0.1
98.20784	0.2
102.04657	0.1
103.05466	0.1
105.07024	0.3
107.01284	0.1
107.04929	0.2
108.02084	0.2
108.05752	0.1
109.02881	0.2
111.04431	0.3
117.03410	0.1
118.04158	0.3
119.04913	0.2
120.05717	0.1
121.06492	0.2
123.00781	0.3
124.01572	0.7
129.06981	0.1
131.04871	0.1
132.05711	2.3
133.06496	0.9
135.04414	1.2
137.05980	0.7
138.03107	0.3
139.03922	0.6
140.06192	0.2
141.07001	0.1
143.04979	0.1
144.05743	0.1
145.06485	0.1
147.04416	0.3
148.05168	0.3
151.00233	0.1
151.03935	0.2
152.01108	0.4
152.04840	0.1
152.06212	0.2
153.06940	0.3
155.08521	0.1
157.06514	0.3
161.05956	0.2
163.03824	0.2
165.05559	0.1
165.06929	0.1
166.02637	0.9
167.03413	0.8
167.04814	0.1
168.05714	1.3
169.01350	0.5
169.06473	0.3
171.04430	0.4
171.08055	0.2
172.08810	0.3
175.03963	0.2
176.04684	0.4
178.02612	0.1
181.06462	0.3
182.07288	1.5
182.41779	0.1
183.08055	1.9
184.03674	2.9
184.05093	0.1
185.05975	1.0
186.06778	0.1
187.07544	0.2
193.04924	0.1
196.05188	1.4
197.05977	1.3
199.04024	0.1
199.07588	0.3
200.08328	0.5
208.05104	0.2
210.06779	1.1
211.07539	3.0
212.04729	0.1
212.08302	0.2
213.05463	1.9
214.06165	0.1
223.03885	0.1
224.04712	0.7
225.05511	0.9
226.06187	0.2
227.07036	3.3
228.07805	1.8
230.05753	0.2
238.06352	0.2
239.07030	4.4
240.07747	0.4
241.04970	2.1
243.10178	5.7
252.04092	0.4
253.05034	0.4
253.08290	0.1
254.05734	0.1
255.06546	2.0
256.07312	12.4
257.07883	0.2
258.05133	0.1
267.06534	1.9
268.07239	0.2
269.04401	0.5
269.07419	0.2
271.09695	0.3
283.06024	2.8
284.06790	23.4
285.07138	0.3
299.09137	100.0
300.09515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0916
Annotation	Tithonine
Peak:m/z	Relative Intensity
57.77829	0.4
69.58267	2.3
91.05473	0.8
95.04984	3.0
108.02076	0.5
119.04938	2.0
121.06516	5.9
122.55443	0.4
125.83854	0.4
134.03653	1.1
135.04411	1.0
137.05962	1.5
148.05186	1.6
149.05969	1.4
151.03918	25.1
161.06039	0.5
163.03922	1.6
168.05750	0.9
169.05035	0.7
175.03960	3.8
176.04671	0.4
183.08128	0.7
185.06036	0.8
196.05208	2.0
197.05948	0.5
199.07597	1.1
200.08333	1.5
203.07076	1.1
204.14607	0.3
210.06732	0.5
211.07524	2.8
213.05484	1.2
214.06305	1.4
215.07045	0.6
222.05876	0.4
223.03958	0.6
224.04701	2.9
227.06982	2.8
228.07852	3.1
238.06293	2.1
239.07039	13.6
240.07733	0.4
241.04959	1.9
241.08562	0.4
243.10205	9.7
255.06731	0.4
255.10098	0.4
256.07352	2.9
266.05765	3.1
267.06454	1.8
271.09607	2.4
281.08136	2.1
281.11694	1.1
283.05981	0.9
284.06793	4.4
299.09164	100.0
300.09427	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0916
Annotation	5,4'-DIMETHOXY-7-HYDROXYFLAVONE
Peak:m/z	Relative Intensity
51.22126	0.3
55.05487	0.3
62.04753	0.3
67.05511	0.5
67.69504	0.3
69.07092	0.3
70.26460	1.3
79.05470	0.5
81.07050	0.4
91.05468	0.5
95.04967	0.3
98.21465	0.3
106.04147	0.5
108.02089	1.2
119.04971	0.4
121.06502	0.8
135.04424	5.1
137.05959	2.1
147.04434	0.3
148.05173	0.8
149.05998	0.5
151.03909	5.3
157.06500	0.3
160.01559	0.3
163.03899	2.1
172.08852	0.9
183.08041	0.5
185.06038	1.0
197.05948	0.4
199.07520	0.6
200.08305	0.8
210.06769	0.8
211.07582	1.8
213.05505	3.7
216.53542	0.3
225.05531	0.4
225.09038	0.8
227.07008	3.9
228.07797	5.9
239.06979	1.1
240.07858	0.5
241.04987	1.3
243.10341	0.6
255.06558	1.8
256.07312	18.7
257.07660	0.6
267.06516	1.6
270.08801	0.8
280.26468	0.5
281.26712	2.2
283.05948	0.6
284.06812	12.9
299.09149	100.0
300.09512	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0916
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
69.03412	0.3
69.52817	1.8
69.53222	0.5
87.37012	0.3
89.01717	0.3
89.33550	0.3
90.04691	0.3
95.01299	0.6
105.07015	0.5
118.04174	0.8
119.04941	0.4
123.00794	1.5
125.02348	0.4
133.06468	0.9
135.04414	0.8
137.02344	0.5
137.05994	3.3
137.38918	0.3
138.03108	2.1
141.01839	0.3
149.02333	0.6
151.03952	1.4
158.03633	1.2
163.03934	3.2
166.02631	4.5
167.03395	1.7
168.05722	0.5
183.07968	0.3
184.03703	2.5
185.05927	0.4
193.04955	0.6
197.05945	0.3
199.07513	0.4
200.08260	0.4
201.05504	0.8
203.07091	0.5
209.06264	0.3
211.07545	1.1
212.08144	0.4
213.05453	0.8
224.04721	0.6
225.05434	0.6
227.07036	5.5
228.07817	1.1
229.05008	0.9
239.07063	0.9
241.05063	0.5
243.10204	5.9
255.06519	3.7
256.07333	8.9
266.05786	0.8
267.06580	3.7
283.06030	4.4
284.04282	0.3
284.06812	10.3
299.09158	100.0
300.09576	1.3
301.57706	0.3
322.28876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
59.02144	0.3
64.99215	0.2
70.26867	0.5
74.18447	0.3
79.49482	0.3
84.95341	0.3
91.05423	0.3
98.52422	0.3
105.06985	0.9
118.04118	0.4
119.04894	0.8
121.06480	0.7
123.00748	1.2
124.01517	0.5
129.06952	0.6
131.04871	0.5
132.05669	0.8
133.06508	1.7
134.07161	0.4
135.04366	0.4
137.02333	1.4
151.00281	1.5
152.01060	4.3
152.06235	0.4
153.01810	0.4
153.07022	0.4
157.06442	1.0
161.06010	4.0
166.02557	0.3
167.04936	0.3
168.05688	1.5
169.06415	0.5
170.02135	0.6
171.08022	0.3
172.08789	0.3
182.07210	0.9
183.08034	1.2
185.05977	1.3
196.05186	1.0
197.05951	1.0
200.08356	0.4
210.06558	0.4
211.07509	1.8
212.04666	0.3
213.05457	2.5
223.03932	0.3
224.04738	0.3
225.05539	0.6
227.07018	1.7
228.07794	0.7
239.07034	3.6
241.04971	3.8
243.10143	1.8
248.59871	0.3
252.04172	0.8
253.04903	1.6
255.06583	2.4
256.07330	6.5
267.06265	0.3
269.04471	2.1
283.06107	0.4
284.06805	71.0
285.07138	0.5
299.09158	100.0
300.09460	0.6
322.13474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
54.19668	0.3
69.87853	1.6
69.88258	0.8
80.19688	0.4
82.18262	0.3
98.21483	0.5
124.01602	0.7
125.56380	0.4
132.05722	1.8
133.06505	1.1
135.04475	0.4
137.05954	0.8
139.03925	0.6
151.03889	0.4
157.06544	0.6
158.07176	0.3
161.06036	0.5
166.02632	0.9
167.03412	0.8
168.05722	1.3
169.06659	0.4
172.08859	0.4
182.07253	1.2
183.08128	1.7
184.03665	2.7
185.05980	1.1
196.05273	1.6
197.06018	1.2
200.08392	0.5
210.06732	1.4
211.07524	3.1
212.04613	0.4
213.05470	1.5
225.05510	0.8
227.07002	2.4
228.07835	1.5
231.81705	0.3
239.07022	4.6
241.05067	1.9
243.10167	6.2
255.06558	2.1
256.07327	12.3
257.07867	0.5
267.06580	1.3
269.04401	0.5
270.81000	0.4
283.06039	2.7
284.06808	23.4
299.09152	100.0
300.09470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0915
Annotation	2'-METHOXYFORMONETIN
Peak:m/z	Relative Intensity
69.60226	1.3
69.60630	0.6
73.57724	0.3
79.05483	0.4
95.04980	0.3
95.50373	0.3
105.07002	0.5
107.04964	4.4
109.06502	0.4
118.08575	0.3
123.04455	0.6
133.02869	4.4
135.08025	0.5
137.02383	2.1
137.05977	6.5
143.97261	0.4
147.04468	0.5
148.05199	27.6
151.03883	0.6
163.03880	1.6
168.05800	0.4
196.05206	0.7
197.05956	0.6
211.07584	0.7
213.05511	2.3
224.04700	1.8
225.05479	0.8
227.06961	1.1
241.04964	5.4
243.10141	2.7
252.04205	4.9
253.04938	1.2
255.06645	1.5
256.07358	2.5
267.06537	22.5
268.06967	0.5
269.04446	2.0
269.07782	0.5
271.09619	1.2
283.06015	7.6
284.06784	21.0
285.07159	0.4
299.09146	100.0
300.09454	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0553
Annotation	Glyzaglabrin
Peak:m/z	Relative Intensity
56.96572	3.4
65.03926	0.7
67.05491	1.1
68.99782	1.9
69.03423	0.9
69.07051	0.9
73.75109	0.5
77.03973	0.5
79.05484	1.7
81.03404	1.4
81.07043	1.2
82.87753	0.4
83.08595	0.6
84.96024	1.0
85.02911	0.5
85.06522	0.6
91.05480	1.5
93.07053	1.1
95.08572	0.6
97.02909	0.7
98.97589	5.2
103.05476	0.5
103.65446	0.4
105.03383	1.3
105.07022	0.8
107.04948	0.7
107.08605	1.1
109.10121	1.3
109.73161	0.4
110.97561	2.2
115.05511	0.6
116.98592	1.8
117.07008	0.4
119.08561	0.7
121.10112	1.0
123.00763	0.8
127.03886	0.6
128.06233	1.2
128.98599	2.0
129.07007	1.8
131.04892	0.6
131.08594	0.7
132.05623	0.5
133.02872	2.3
133.10138	1.0
134.99602	0.5
135.04424	11.3
137.02348	18.5
137.05978	2.0
139.05414	1.2
141.06985	1.0
143.00159	1.2
145.06483	0.9
145.10114	0.7
146.99637	1.1
147.04408	0.9
149.02353	1.3
149.47760	0.4
152.01091	0.5
157.06519	5.9
158.99759	0.7
161.01221	0.9
161.05969	1.9
162.03137	0.7
163.03842	0.9
165.01842	0.8
165.06917	0.5
167.04865	0.7
168.05753	0.7
169.06465	1.0
170.99644	0.5
171.04388	1.2
171.11685	0.4
173.05980	1.0
175.03915	0.5
177.00713	0.8
177.05504	1.1
181.06543	0.5
185.05963	3.2
187.07512	0.5
189.01825	2.0
190.02615	1.0
197.06029	3.9
199.03954	3.5
200.04686	1.1
201.00760	1.0
201.05518	2.5
207.02895	0.7
211.07545	0.9
213.05479	35.0
215.07060	0.7
219.01814	1.6
225.05397	1.1
227.03445	3.1
227.07018	1.7
228.04114	0.9
228.07841	0.6
237.02820	2.7
239.03433	1.2
239.07077	1.8
241.04967	28.9
243.06464	2.5
243.10188	1.5
253.04921	0.5
255.06555	1.3
256.07431	2.1
267.03168	0.5
267.06390	1.7
269.04449	14.9
271.06226	2.9
271.09561	3.5
281.04639	0.5
283.06058	2.4
284.03464	1.1
284.06772	14.8
299.05490	100.0
299.09082	33.9
299.20081	1.3
299.23456	1.0
300.05856	1.5
308.07187	0.6
319.09683	0.8
321.07489	0.7
321.23215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0551
Annotation	Glyzaglabrin
Peak:m/z	Relative Intensity
57.14341	0.4
59.39574	0.5
62.87654	0.4
68.99787	2.1
71.08508	0.9
82.85303	0.5
84.06648	0.4
85.28849	0.4
89.03925	1.9
95.01352	0.7
95.04945	1.1
103.05485	0.9
110.59608	0.4
111.00865	0.5
115.05436	0.8
117.03359	0.7
117.07043	0.7
119.04948	0.8
121.02877	0.5
121.06510	1.5
123.00794	4.3
129.07001	1.4
131.04941	2.8
133.02881	0.6
134.03658	0.7
137.05946	0.7
141.06970	0.5
143.04933	0.9
145.06465	1.4
149.02309	1.0
149.05986	0.6
151.03922	9.4
153.01758	0.6
157.02850	1.8
157.06488	2.3
161.05933	0.6
163.03967	0.7
168.05762	0.8
171.04404	1.4
175.03935	1.8
185.06015	2.4
195.02942	0.5
196.05196	0.8
197.05989	0.9
199.03922	3.4
200.08327	0.6
210.06747	0.7
211.07524	1.2
213.05473	10.4
214.06218	0.7
224.04668	1.1
227.07072	1.5
228.07848	1.6
238.06297	1.0
239.07039	4.9
240.04044	0.7
241.04962	44.5
242.05336	1.0
243.06476	1.1
243.10229	3.9
243.89067	0.5
253.05066	0.5
255.06572	0.7
256.07306	2.3
266.05798	0.8
267.06430	0.9
269.04459	38.8
270.05240	0.5
271.06030	0.8
271.09579	1.0
281.07953	0.5
284.06784	10.8
299.05502	100.0
299.09103	48.2
300.05878	0.9
300.09302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0551
Annotation	6,7-Dihydroxy-3',4'-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
55.01877	0.2
67.05486	0.2
68.76228	0.1
69.07043	0.2
70.58823	0.6
81.07020	0.2
89.03908	1.6
91.05489	0.3
95.01273	0.3
105.03375	0.3
115.05441	0.7
117.03356	0.3
119.04989	0.2
119.08636	0.2
123.00778	0.8
128.06224	1.7
129.07007	7.3
131.04893	0.3
137.02306	0.7
139.05414	3.2
139.17828	0.2
141.06972	1.0
143.04871	0.5
145.02785	0.2
146.03561	0.2
147.04419	0.2
149.02330	0.3
151.00290	0.3
152.01033	1.9
153.01823	0.4
153.07135	0.2
155.06102	0.2
157.06493	4.1
167.04922	3.0
168.05531	0.2
169.06505	0.9
171.04462	0.3
185.05972	12.6
195.04367	2.4
197.06003	1.3
199.03973	0.2
200.04669	0.7
211.03963	0.2
212.04582	0.3
213.05470	7.2
215.07053	0.6
223.03828	1.2
224.04668	0.2
225.05460	1.3
227.07039	0.3
228.04153	1.9
239.03448	0.2
240.04184	0.6
241.04953	31.4
242.05286	0.4
243.06537	5.4
243.10213	0.2
251.03294	0.4
253.04968	1.7
256.03537	0.4
256.07379	0.4
268.03601	0.2
269.04446	28.9
270.04935	0.2
271.05997	1.7
284.03174	0.5
284.06790	1.5
299.05508	100.0
300.05948	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	299.0554
Annotation	Isotrifoliol
Peak:m/z	Relative Intensity
55.05518	0.8
57.07065	0.5
65.59851	0.3
67.05494	1.6
69.03419	0.4
69.07082	1.9
69.37535	2.5
69.37939	0.7
71.04978	0.4
79.05489	0.9
81.07069	2.8
83.04987	0.4
83.08610	1.2
83.58527	0.4
91.05474	1.4
93.07043	1.0
94.07850	0.4
95.04970	0.7
95.08614	3.3
97.06542	0.5
97.10152	0.4
98.97577	0.5
105.03380	0.7
105.07059	1.9
107.04973	0.5
107.08598	1.0
109.06502	0.3
109.10162	1.3
111.04399	0.5
111.11697	0.5
119.08617	0.9
121.02879	1.2
121.06464	0.7
123.11685	0.8
129.07043	0.7
131.01332	2.3
131.08618	0.5
132.05682	0.4
133.02905	0.4
133.06462	0.9
133.10091	1.0
134.07256	0.4
135.04398	1.1
137.02376	2.2
139.05408	1.2
141.06963	0.6
144.05690	0.8
145.10091	0.7
147.04378	0.8
151.00293	0.5
151.07565	0.6
151.11357	0.4
152.01068	1.1
155.04900	1.0
155.08604	0.4
157.06529	1.0
157.89905	0.4
159.11729	0.5
159.77011	0.4
161.05977	1.8
163.03941	0.4
165.01859	0.6
166.76154	0.5
167.04988	1.1
168.05664	1.1
169.06604	0.6
169.10176	0.3
169.68251	0.4
171.04356	0.8
172.05186	0.7
181.06465	0.6
182.07349	0.6
183.04439	0.6
183.08078	0.7
184.03697	0.5
184.05180	0.7
185.06015	1.8
186.03134	0.8
187.03897	0.5
187.07545	2.2
195.04416	2.8
196.05092	0.5
197.05946	1.1
197.13304	0.7
199.03868	0.6
199.07594	0.6
200.04701	3.0
201.05409	0.6
203.03554	0.5
210.06848	1.0
211.03958	1.9
211.07545	1.7
212.04634	0.6
213.05447	2.4
215.07097	0.7
224.04601	0.4
225.05457	0.9
227.03444	1.2
227.07039	1.0
228.04201	15.8
228.07800	0.8
238.06300	0.5
239.03427	11.9
239.06982	3.9
240.04028	0.6
241.04948	4.7
243.06578	4.7
243.10202	4.0
253.05002	1.7
255.02908	4.5
255.06546	0.8
256.03693	3.6
256.07300	4.8
267.02899	60.1
268.03574	1.4
269.04495	2.7
271.06027	6.9
271.09644	3.0
283.06000	1.1
284.03189	15.0
284.06812	24.9
299.05527	100.0
299.09140	45.4
299.20129	1.1
299.23685	0.8
300.05872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
53.03937	1.7
55.05265	1.2
55.05513	16.3
56.05039	8.6
57.07063	4.4
58.02951	2.4
60.04515	3.2
61.78069	1.3
67.05507	20.6
68.05027	3.1
69.07068	12.4
69.60242	2.2
69.60645	4.8
69.77129	1.1
71.08624	1.1
72.04512	1.7
79.05499	14.9
80.05011	2.8
81.07057	17.1
82.06576	10.3
83.08631	8.8
86.06072	2.6
91.05499	7.8
93.07051	9.7
93.07588	1.5
94.06566	3.7
95.04980	1.4
95.08611	15.3
97.10165	4.7
98.06050	2.2
98.21463	2.5
98.97588	2.0
100.07616	3.3
105.07053	7.4
106.07372	4.8
107.08598	2.2
109.10153	6.1
112.07567	1.1
119.08558	4.0
121.10146	3.4
122.09670	1.3
123.11727	1.6
133.10126	3.3
135.04433	1.2
135.11752	2.0
151.03899	1.5
153.20084	1.0
163.03905	1.1
173.05959	1.7
197.05473	1.5
199.17929	1.1
201.05260	1.1
202.05806	2.2
227.07170	1.3
228.07881	2.7
240.07365	2.4
250.25314	7.6
253.27058	1.3
256.07321	4.9
262.25247	4.5
276.46628	1.4
280.10513	3.6
280.26370	100.0
284.06821	6.4
298.07996	8.3
298.27316	1.7
299.09146	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2743
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
52.42899	0.7
53.03933	1.9
55.05263	0.8
55.05513	12.6
56.05040	7.1
56.87160	0.7
57.03438	0.9
57.07077	4.1
58.02953	2.1
60.04523	4.7
65.03915	0.9
65.26023	0.7
67.04271	0.7
67.05509	21.5
68.05016	2.7
69.06726	0.8
69.07072	11.5
70.15101	2.1
71.08624	1.8
72.04501	0.9
78.46855	0.7
79.05496	13.1
80.05003	3.1
81.07058	17.9
82.06579	8.3
83.04967	1.0
83.08624	5.3
83.45953	0.7
84.08145	0.9
84.92821	0.7
86.06075	3.8
91.05492	7.7
93.07047	8.0
94.06567	4.0
95.04954	0.9
95.08606	12.1
95.84194	0.7
95.89354	0.7
96.08109	2.4
97.06537	0.9
97.10156	3.2
98.06043	1.9
98.97586	2.7
100.07602	1.4
102.28425	0.8
105.07037	4.6
107.08586	3.2
108.08099	1.6
109.10180	4.2
112.07598	1.9
119.08561	3.8
121.10143	3.5
122.09652	1.1
123.11725	1.1
129.07195	0.8
133.10152	2.1
135.11699	1.9
144.95767	0.8
147.11732	0.9
151.00027	0.8
179.93384	0.8
191.17882	1.1
197.05533	1.1
225.05095	1.3
239.07161	1.1
240.07439	5.5
242.08957	0.8
245.22412	0.9
250.25346	7.6
253.04710	0.7
260.23907	1.2
262.25201	3.9
268.06934	2.7
274.97498	1.9
280.26370	100.0
283.05936	0.7
284.06885	3.4
289.20526	0.8
292.98465	1.1
298.04666	1.3
298.07925	15.5
298.27454	2.2
299.09155	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	298.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
57.07057	0.5
58.06612	2.0
60.04528	2.7
67.05505	1.1
69.07071	2.9
69.77061	2.1
70.06580	0.9
70.51398	0.4
71.04984	0.9
79.05488	0.6
81.07063	4.9
82.06577	1.9
82.07384	0.4
83.08610	0.9
85.06551	0.4
87.80861	0.3
91.05476	1.9
92.39621	0.4
93.07033	1.9
94.06564	2.7
95.04987	0.4
95.08605	3.4
97.06504	0.4
97.10270	0.4
100.07627	0.5
100.24625	0.3
105.07034	6.2
107.08599	4.3
108.08144	3.0
109.10190	2.1
109.44846	0.4
111.08075	0.5
115.19779	0.4
117.06999	0.5
119.08582	4.8
121.08834	0.5
121.10136	2.4
122.09653	1.2
123.11718	4.2
125.09639	0.7
131.08611	2.0
133.10120	2.3
133.10991	0.4
134.09631	0.8
135.11673	1.2
136.11212	5.7
143.08549	0.7
145.10141	5.4
147.11690	12.4
148.11206	0.6
149.09744	0.5
152.06052	0.4
157.10130	1.3
159.11682	1.9
161.13269	1.3
163.11275	0.7
163.14818	1.5
164.14388	0.4
166.15919	0.6
171.11763	0.7
176.14371	0.7
185.13171	0.7
187.14835	4.4
192.17477	1.6
197.05692	0.5
203.14536	0.3
203.17969	6.7
204.17485	2.1
205.15874	0.9
225.05293	0.4
239.15591	1.2
244.20589	2.3
245.19107	0.5
256.07333	0.4
262.21677	13.9
266.11865	0.7
268.06915	0.5
280.10513	0.4
280.18350	2.4
284.06784	2.0
298.08328	2.5
298.19333	100.0
298.30908	5.6
299.05685	0.7
299.09082	4.6
299.19711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0973
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.00330	0.1
55.01873	0.2
61.01152	4.9
67.05511	1.5
69.03423	0.6
69.07066	0.3
69.73054	0.4
69.73467	0.6
70.06621	0.4
72.08145	0.4
75.02709	2.5
76.41438	0.1
79.05495	0.3
81.03418	0.2
81.07025	0.2
84.08141	0.2
85.02872	0.3
86.09746	0.2
91.05499	0.2
94.04053	0.4
95.04983	0.7
95.08598	0.2
95.56869	0.2
97.02890	1.5
102.05566	0.4
103.02177	0.5
107.04964	0.2
108.04437	0.2
110.06072	0.3
119.03529	1.1
122.06049	0.2
124.03957	0.3
136.06190	100.0
137.04614	0.4
137.06540	0.2
138.05499	3.5
138.07556	0.2
138.09114	0.4
145.03195	1.4
152.07024	0.2
163.04250	1.3
166.04996	2.2
166.08626	0.4
168.06656	0.2
215.72191	0.2
233.38882	0.1
239.11372	0.2
280.08191	1.1
280.11896	0.3
298.09738	2.6
298.12662	0.2
298.16953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.1
53.16532	1.7
55.01867	4.4
55.05514	23.6
56.05040	2.5
56.96568	20.6
57.03435	6.4
59.05006	16.8
61.02921	4.4
61.32397	1.8
67.05507	4.8
68.05824	1.7
69.03433	16.9
69.07082	15.8
70.06599	14.2
71.04990	3.8
71.56973	3.3
72.08163	71.8
73.02908	5.9
73.07875	2.7
73.08497	20.7
74.06095	2.6
75.02735	1.9
79.05499	3.8
80.05011	3.3
81.03408	6.0
81.07075	3.1
81.68315	1.9
82.06542	2.4
83.04989	12.9
84.04510	4.0
84.08163	6.7
85.02912	26.7
86.09695	2.4
87.04449	2.7
88.03982	3.1
90.05576	2.5
91.05473	7.2
95.04961	3.8
96.04507	4.0
96.08106	2.9
97.02885	12.8
97.06553	3.1
97.07658	3.0
98.97005	2.9
98.97598	27.6
99.04456	3.2
101.06028	100.0
103.03957	1.9
105.07045	2.9
106.06647	1.8
107.04955	2.7
109.02890	7.7
110.97579	4.6
112.07601	8.2
116.98630	10.1
117.81234	1.6
118.06641	1.9
119.04857	2.1
119.07066	33.3
119.08521	1.8
120.08112	5.7
121.06494	2.3
122.02409	2.2
123.04428	2.9
124.03968	39.7
124.04819	3.9
124.07597	1.9
127.03894	4.8
128.98601	3.8
130.08659	4.0
131.00122	3.0
131.04839	2.5
133.07675	3.1
134.99611	2.0
135.04424	2.3
136.06197	35.0
136.07413	3.0
137.05989	4.7
138.05536	2.7
140.07118	12.8
141.36168	1.9
145.04985	3.9
146.01181	3.1
146.09686	3.0
146.99718	3.6
149.04686	1.8
149.05980	3.7
151.07547	2.9
152.05711	49.6
152.06963	2.3
153.04051	5.8
153.05316	1.9
158.99667	6.8
161.01337	2.3
161.04738	5.5
162.05486	2.3
164.02348	2.1
164.09044	2.7
165.06996	4.9
165.09013	3.3
166.05017	3.1
166.07315	10.5
166.09772	3.4
168.06662	14.2
170.09570	2.1
174.09222	4.1
175.04390	3.5
176.07172	2.0
177.00708	3.0
177.05562	2.1
177.09099	3.0
178.09833	2.3
179.08537	4.6
183.07936	3.7
191.12595	3.6
193.10864	11.6
207.08014	10.1
211.05557	2.9
211.07581	3.0
216.10216	3.1
217.07306	2.3
219.01830	5.5
220.09758	3.0
223.55209	5.4
233.06889	3.9
234.11195	3.7
235.07521	13.6
237.02942	5.9
239.07079	7.8
239.11462	19.1
252.10231	6.6
254.15170	2.8
260.04419	2.0
262.10721	3.8
263.29504	2.0
266.11816	4.9
274.05994	2.5
274.97375	3.7
276.07516	3.8
280.11935	6.5
281.08087	6.0
284.06885	2.9
292.98514	2.2
298.09402	12.0
298.18228	13.3
299.09311	5.2
300.06171	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	297.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	2.3
56.96571	10.1
68.05029	1.0
69.03421	1.1
70.15623	3.2
71.95266	3.4
72.08131	0.8
74.06047	0.8
84.04504	1.4
85.02912	1.7
97.02892	1.8
97.07662	5.6
98.97588	100.0
110.97599	0.9
112.07624	2.2
116.98625	35.0
130.08589	1.0
130.93283	1.5
134.99663	8.1
136.06181	2.3
136.61739	0.7
140.00221	1.2
141.10202	2.2
158.99638	1.3
166.07159	0.8
167.83482	0.7
172.94368	5.2
182.03331	0.9
190.95418	2.8
212.52473	0.7
214.95435	2.0
219.01772	1.2
232.96463	5.0
239.11525	1.5
250.97624	1.9
254.15025	4.6
256.96432	11.8
256.98862	1.0
274.97513	70.9
288.03778	0.7
292.98575	35.1
297.99121	0.8
298.14291	1.4
298.17664	18.8
316.00244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82850	0.8
56.96569	8.5
66.06599	0.7
67.95023	0.7
70.13356	3.2
71.95274	2.2
74.81897	0.9
83.59119	0.8
98.21524	0.8
98.97588	100.0
116.98625	35.8
122.56574	0.7
130.65294	0.8
134.99683	7.1
139.06281	0.9
143.69960	0.8
148.18811	0.8
158.90457	0.9
159.55681	0.9
167.23026	0.8
172.94377	4.3
182.72137	0.8
190.95459	2.0
214.95392	3.3
232.96458	6.5
250.97540	1.4
256.96497	18.3
274.97522	82.5
292.98566	41.2
297.99014	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03940	2.5
55.01865	3.7
55.05511	22.9
56.96557	0.7
57.03431	2.8
57.07066	3.6
63.85413	0.7
65.03928	2.0
67.05508	29.9
69.03435	1.9
69.07066	20.9
70.29666	2.8
70.30016	0.9
71.04987	2.6
71.08611	2.7
79.05052	1.6
79.05490	21.5
81.07058	29.8
83.04971	3.3
83.08622	12.1
85.06536	2.2
89.03896	1.1
91.05482	31.7
93.07040	13.7
95.04975	2.4
95.08609	24.0
97.06522	3.6
97.10172	18.3
99.08100	1.9
103.05463	15.3
105.03394	2.3
105.07034	100.0
106.07404	1.0
107.04995	1.1
107.08592	14.4
109.06531	1.8
109.10159	15.7
111.08096	2.7
111.11704	2.0
115.05482	6.8
117.07021	6.8
119.04894	1.0
119.08570	4.8
121.06536	2.3
121.10175	5.7
123.08096	1.2
123.11703	4.4
124.07211	0.8
125.09621	11.3
128.06215	0.8
129.06990	1.1
131.04970	6.4
131.08533	2.9
133.06525	1.3
133.10121	3.3
135.04411	1.3
135.08041	3.5
135.11702	10.8
137.05945	1.0
137.09558	1.1
137.13274	4.1
141.07030	1.0
143.04936	1.2
143.08553	1.6
144.66956	0.8
144.68169	0.8
145.06482	1.3
145.10152	2.6
146.03520	1.1
147.04404	2.1
147.08025	1.7
147.11685	3.4
148.05174	1.6
149.05946	1.2
149.13216	2.6
151.03981	1.0
151.07561	1.6
151.11223	1.2
151.14830	1.4
153.07040	1.1
153.12779	4.3
155.08566	1.0
159.04385	4.9
159.11673	1.7
160.05174	1.1
161.05992	16.5
161.13275	2.8
163.07532	2.0
163.14876	2.0
165.06982	3.2
165.12677	1.0
166.07788	1.4
167.08583	1.2
168.05705	3.9
169.15855	1.1
173.05984	23.8
173.11768	1.8
173.13246	2.6
175.03979	1.5
175.07553	10.3
176.04642	0.9
177.05470	3.3
177.12811	1.1
178.07770	4.9
179.08450	1.4
179.14229	0.9
181.06459	1.3
181.10112	2.7
183.08015	2.0
183.13846	7.2
187.14870	2.1
189.11255	6.0
190.07773	1.2
191.07028	8.1
191.08611	3.1
192.09415	0.9
193.10081	2.1
195.07954	1.2
195.11603	1.0
195.13892	1.1
196.05260	8.9
199.07584	0.8
201.05484	30.8
205.04892	1.3
207.08032	0.9
208.08873	1.3
209.09666	2.1
209.15306	1.1
211.07558	8.6
218.07228	1.0
219.04395	1.3
219.06511	24.5
219.08501	1.6
223.11232	1.3
223.16960	1.2
224.04684	10.0
233.22697	1.1
235.07426	1.9
236.08363	1.6
237.09134	1.3
237.16260	1.0
239.07030	25.4
240.07312	1.0
241.08531	2.4
241.12247	6.2
243.21114	3.2
251.10698	4.5
251.23747	2.5
252.04185	3.7
252.60600	1.0
253.08517	0.9
253.12244	3.4
255.10197	1.0
255.17331	1.3
261.22141	9.5
267.03726	0.7
267.06506	15.8
269.11722	1.4
279.10175	42.3
279.20349	1.2
279.23233	23.2
280.10446	1.2
282.05121	1.1
297.07581	79.0
297.11209	37.8
297.14713	3.3
297.18402	10.8
297.21982	2.4
297.24786	1.4
298.07791	2.4
298.11191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.9
53.03951	2.6
55.01863	2.0
55.05513	7.7
56.96547	1.7
57.03459	1.5
57.07071	2.5
65.03950	2.6
67.05508	23.5
69.07067	20.1
69.32791	13.9
71.08634	70.5
79.05499	18.8
81.07058	35.4
83.04985	1.8
83.08636	8.7
83.30148	1.7
85.06558	1.8
91.05483	98.3
91.81979	1.6
93.07040	11.2
95.08611	22.6
97.06552	2.2
97.10161	2.8
99.08096	57.5
101.45064	1.5
102.19073	1.6
103.05486	9.7
105.07035	95.5
107.08591	10.1
109.10170	6.9
115.05461	5.6
117.07017	7.5
117.09132	2.3
119.08584	10.5
121.06515	2.3
121.10134	8.7
123.08067	2.1
123.11695	4.9
127.11173	3.3
131.04959	4.8
131.08575	5.2
133.06468	1.9
133.10135	3.1
135.11710	4.3
137.05974	4.4
137.13301	3.2
141.09071	1.6
145.10141	3.5
147.04396	1.8
147.08075	1.7
147.11693	24.5
149.13283	2.0
153.12773	4.5
155.08601	1.8
158.92685	1.7
159.04373	3.1
159.11694	2.2
161.05995	10.5
161.13275	3.7
163.11227	6.3
163.14847	11.7
165.06969	2.7
165.12758	14.3
166.07837	2.6
167.08635	1.8
167.14363	3.5
168.05705	3.0
169.12209	2.0
173.05969	17.7
173.13240	3.6
175.07486	7.6
177.05504	4.3
177.16412	1.9
178.07834	4.1
181.10136	9.1
181.15889	6.6
183.08057	3.7
191.07028	5.4
191.08582	3.8
196.05193	9.3
201.05470	26.6
201.07181	3.0
209.09572	3.0
211.07556	11.7
219.06532	17.9
224.04695	9.1
233.22650	1.8
239.07034	30.0
241.08682	3.3
241.09573	3.0
241.12245	53.9
243.21063	9.4
251.10739	3.0
252.04253	3.8
261.22125	16.8
267.03781	2.3
267.06531	17.6
279.10147	35.7
279.23221	27.7
297.07608	100.0
297.11230	23.9
297.18549	28.3
297.24207	2.2
298.07968	3.3
314.58408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.185
Annotation	3-Hydroxy-5-methoxy-2-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
55.05518	0.2
56.01180	0.2
65.03936	1.1
67.05488	0.3
67.31911	0.2
69.07072	9.4
71.47220	0.4
77.03944	0.3
79.05490	1.4
81.07051	0.5
91.05483	100.0
92.05835	0.6
95.04987	0.3
95.08617	0.3
103.05467	1.2
105.03407	0.2
105.07036	12.9
107.04951	0.5
107.08588	0.3
111.04448	0.2
115.05443	0.7
117.07034	1.2
119.04955	0.5
119.08590	0.3
120.20203	0.2
121.06527	0.7
123.08126	0.4
128.06253	0.2
129.06984	0.4
131.04884	0.3
133.06508	0.6
135.08052	0.5
137.05984	3.5
141.07019	1.3
143.08614	0.3
149.05960	1.0
150.06804	0.5
151.07591	0.6
153.06993	0.4
155.08551	0.5
161.05998	0.7
163.07555	1.2
165.07045	0.8
166.07780	1.8
167.08574	0.9
168.05692	0.4
173.06006	1.5
175.07584	0.8
178.07813	0.4
179.08540	0.4
181.10129	7.8
183.11694	0.2
184.48628	0.2
191.06982	0.3
191.08530	0.6
193.10211	0.5
194.07339	0.6
195.11667	0.3
196.05219	0.8
201.05486	2.0
205.12315	0.3
208.08850	0.5
209.09608	2.2
211.07529	0.7
211.11159	0.2
213.09126	0.4
213.12706	0.5
219.06496	1.2
219.13734	0.3
223.11290	0.7
224.04672	0.7
226.09872	0.6
229.12218	0.8
239.07025	2.0
241.12241	60.2
242.12642	0.6
251.10611	0.3
252.04164	0.3
253.12143	0.3
267.06451	1.2
279.10150	2.7
297.07602	6.8
297.18500	30.1
298.04657	0.3
298.18936	0.4
311.58810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1851
Annotation	3-Hydroxy-5-methoxy-2-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
51.75384	0.4
55.01870	0.5
55.05508	0.9
56.39511	0.3
56.96552	0.8
57.07103	0.5
60.26411	0.4
62.00503	0.4
62.00822	0.4
65.03943	1.6
67.05499	1.1
69.07071	9.4
69.07445	0.5
69.19711	0.4
71.01701	0.7
77.03941	0.5
78.04723	0.4
79.05494	3.5
81.07055	1.3
83.08607	0.5
91.05486	100.0
92.05820	1.3
93.07065	1.1
95.04970	0.8
95.08596	1.3
97.10202	0.7
103.05479	3.5
104.92263	0.4
105.03426	0.5
105.07036	26.2
106.07347	0.4
107.04955	1.0
107.08610	1.1
109.06476	0.5
109.10152	0.9
113.15885	0.4
115.05490	1.2
117.07035	2.5
117.70560	0.4
119.04913	0.4
119.08576	0.7
121.06538	0.9
121.10132	0.6
129.07007	0.7
131.04918	1.3
133.06512	0.7
135.04436	1.2
135.08057	0.7
137.05972	3.2
141.06982	1.2
143.08545	0.5
145.06482	0.7
145.10118	0.4
147.07971	0.5
149.05998	1.4
151.07576	0.4
155.08588	0.6
157.10220	0.5
159.04376	0.9
161.06001	3.6
163.03917	0.7
163.07556	2.1
165.07034	1.7
166.07790	2.6
167.08623	1.2
168.05698	0.6
169.10092	0.4
173.05998	4.7
175.07605	1.9
177.05516	0.9
178.07840	1.5
179.08649	0.8
181.10123	8.3
183.08073	0.8
191.07022	1.4
191.08621	1.5
194.07280	0.8
195.11755	0.5
196.05226	2.9
201.05496	6.7
205.04849	0.5
205.12178	0.5
208.08905	0.9
209.09650	2.7
210.06848	0.5
211.07550	3.5
211.11125	0.5
213.12820	0.7
218.01663	0.4
219.06511	4.8
219.08250	0.5
223.11223	0.7
224.04741	3.8
226.06345	0.5
226.09909	0.6
229.12222	1.0
239.07025	7.7
241.12251	57.2
242.12549	0.4
243.94452	0.4
251.10753	1.0
252.04204	1.1
253.12350	0.7
267.06546	5.4
274.05319	0.4
279.07108	0.5
279.10205	8.0
279.23416	0.4
280.10718	0.4
290.57477	0.4
290.60724	0.5
297.07611	30.6
297.11255	6.8
297.18497	38.7
298.07980	0.8
298.18732	0.7
313.03940	0.9
315.09192	0.5
318.12869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
54.04733	2.0
55.01866	3.1
55.05529	9.1
55.05740	1.9
56.96570	7.9
57.03439	2.8
57.07052	1.5
67.05501	6.2
69.03423	5.5
69.07069	5.9
69.55491	10.1
70.06579	5.7
71.05006	2.8
72.08163	42.2
73.02933	2.0
77.20958	1.6
79.05493	9.4
81.03425	10.6
81.07064	9.0
82.04205	89.2
82.06580	2.3
83.04990	22.0
84.04492	3.5
84.08143	6.2
85.02903	5.9
85.06553	3.2
86.09705	5.5
87.04462	3.2
89.06046	4.1
91.05480	9.3
93.07049	6.9
94.06554	2.0
95.04982	6.2
95.08619	5.5
96.08131	5.4
97.02879	3.9
97.06534	2.4
98.09688	2.5
98.97591	9.0
99.04449	2.2
102.09196	1.8
103.03960	6.6
103.05472	2.9
105.07048	4.7
107.04964	6.3
107.08605	7.7
109.02858	4.6
109.06512	5.2
110.06039	4.6
110.09692	3.4
111.04477	2.5
112.07623	2.1
115.05436	1.8
116.98639	3.6
117.07057	1.9
119.08581	5.7
120.08159	7.2
121.02858	6.2
121.06500	4.6
122.06064	3.5
122.07011	1.4
122.09612	1.5
123.04451	3.1
123.08045	4.8
124.03963	2.7
124.07623	14.5
125.06107	2.1
126.09138	5.3
127.03931	3.5
127.09949	13.9
128.04709	29.3
128.10669	1.8
129.07031	2.0
131.04971	3.3
131.08553	2.3
133.06493	3.0
133.10124	2.4
134.06120	1.4
135.04399	4.2
135.08049	6.8
136.06154	2.0
136.07600	8.2
137.05977	17.0
137.07898	2.8
137.09688	1.7
138.05515	1.7
138.09145	4.4
144.78418	1.4
145.06506	3.5
146.06044	2.5
147.04395	3.8
147.08081	3.1
148.07553	1.6
148.11258	2.1
149.05956	3.0
150.09167	2.4
151.03961	2.1
152.07007	1.7
153.01726	1.9
153.05443	2.3
153.09117	2.0
158.99670	2.0
159.08102	2.8
161.05994	2.5
163.07507	2.8
164.07092	4.1
164.10693	1.9
165.05482	1.7
165.09166	1.7
166.04988	2.4
166.08711	3.5
167.06940	2.4
172.09711	40.5
173.10509	100.0
174.09195	3.2
176.10730	5.0
177.05461	2.9
180.13918	2.7
181.08626	5.2
190.12340	3.6
198.01917	2.1
200.05318	2.5
205.13332	2.1
205.92221	1.4
207.08202	2.6
208.13312	4.9
209.05864	1.8
220.09727	2.6
233.12917	3.7
234.11418	1.7
243.11006	1.7
243.54614	1.7
252.12352	3.7
255.05618	2.6
261.11206	3.0
265.08578	2.4
266.99960	1.9
273.06424	2.0
279.09329	1.8
279.12595	7.1
279.17050	5.7
280.11960	1.7
297.07462	4.7
297.10968	2.4
297.14297	11.7
297.18124	31.6
297.21564	3.2
299.06171	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	297.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.4
57.03438	0.4
68.52708	0.3
69.03423	0.3
70.06589	1.0
70.86716	0.3
70.87029	0.6
72.08158	100.0
73.08482	0.5
79.05487	0.6
83.05025	0.6
90.07947	0.2
91.05497	0.5
93.07053	0.3
95.08630	0.4
96.08120	0.4
98.09731	0.3
98.97598	0.4
105.07060	0.5
107.08608	0.3
110.06106	0.2
110.09716	0.8
119.08606	0.7
120.99328	0.3
122.06023	0.3
122.07030	0.2
123.07976	0.4
124.07581	2.1
126.09170	0.4
131.90604	0.3
132.08121	0.3
134.09639	0.6
136.07539	0.3
136.11240	0.4
138.09155	0.2
144.13884	1.2
145.10104	0.3
146.09668	0.4
147.08028	0.3
147.10498	0.4
148.56491	0.2
149.89806	0.2
150.09174	1.6
152.10645	0.3
160.07544	0.4
161.08406	0.8
162.09201	1.0
162.12819	0.7
163.08754	1.0
164.10730	4.9
165.11516	3.5
168.00247	0.3
175.09935	0.6
178.12271	0.4
188.10664	0.4
190.12285	2.7
201.00819	0.3
206.11841	1.1
217.07919	0.3
234.11325	1.3
251.17726	0.3
252.09770	0.2
252.12318	5.1
252.14682	0.4
279.14188	0.3
279.17194	1.0
297.07416	0.3
297.10538	0.5
297.14575	0.9
297.18283	2.5
312.14313	0.2
316.91003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88749	0.2
55.05512	1.0
56.05034	0.7
56.51727	0.3
56.96568	0.3
57.03413	0.3
67.05500	0.6
69.03429	0.4
69.07059	0.7
69.47755	0.5
69.48169	1.7
70.06590	2.2
72.08160	100.0
73.08487	0.4
76.48229	0.3
79.05507	0.9
81.07082	0.8
81.73361	0.3
82.06583	0.6
83.04996	1.9
84.08165	1.2
85.02923	0.3
91.05481	2.0
93.07056	1.1
95.04984	0.5
95.08612	0.7
96.08153	0.6
103.05470	0.3
103.52039	0.3
105.03390	0.8
105.07037	1.2
107.08556	0.4
108.08125	0.3
109.06528	0.3
111.06803	0.4
119.08606	1.1
120.08130	2.1
120.79104	0.3
121.02921	0.3
121.06548	0.6
121.10210	0.4
123.04443	0.3
123.08106	0.7
124.07609	1.9
126.09188	0.7
126.23589	0.3
127.03934	0.3
128.10770	0.4
129.10197	0.4
130.06554	1.0
131.08609	0.3
132.08105	0.3
133.10138	0.4
134.09712	0.3
135.08043	0.4
136.06221	0.7
136.07524	0.3
136.11256	0.4
138.09155	0.5
145.10199	0.5
146.06053	0.5
147.08067	0.3
149.09622	0.3
150.07794	1.0
150.09189	1.1
151.07648	0.4
152.10777	0.3
153.10275	0.4
159.09267	0.4
161.08369	0.5
162.09206	0.6
164.10727	4.3
165.11536	3.0
166.08722	0.3
172.09708	4.4
177.05544	0.7
178.12314	0.7
188.07213	0.4
188.10727	0.7
190.12271	1.9
206.11824	1.1
212.20982	0.3
219.22173	0.3
222.08368	0.3
234.11404	0.5
234.56728	0.3
239.07191	0.4
241.12350	0.5
251.17615	0.4
252.12338	2.2
267.00018	0.3
267.06592	0.4
279.17172	1.4
280.19684	0.3
297.07581	2.5
297.18216	4.1
305.67725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
53.13887	0.2
55.01872	0.4
55.05515	1.2
55.36406	0.2
56.05030	0.5
56.96557	0.7
57.03444	0.3
57.71697	0.3
58.06595	0.4
67.05514	0.7
68.42860	0.2
69.03433	0.9
69.07079	0.7
69.87094	1.3
70.06600	2.3
71.05005	0.5
72.08159	100.0
73.08464	0.4
79.05498	1.3
81.03438	0.8
81.07074	0.9
82.04212	0.6
82.45517	0.2
83.04984	2.0
84.08163	1.1
85.02901	0.4
86.09705	0.9
87.04467	0.3
88.03992	0.5
91.05477	2.8
93.07037	1.2
94.06596	0.5
95.04979	0.8
95.08611	0.8
96.08139	0.7
97.02916	0.5
97.06538	0.4
98.06046	0.3
98.09706	0.5
98.97611	0.5
99.04491	0.3
103.05484	0.7
105.03408	0.4
105.07032	1.5
106.06515	0.3
107.04956	0.6
107.08636	0.7
109.02905	0.5
109.06541	0.6
110.06049	0.5
110.09731	0.3
111.04452	0.4
115.05424	0.3
117.07014	0.5
119.08597	0.6
120.08118	6.1
121.06549	0.5
121.10162	0.6
123.04435	0.5
123.08083	0.4
124.07595	2.1
124.08362	0.2
126.09155	0.7
127.03941	0.5
128.10732	0.5
129.07076	0.4
129.10266	0.3
130.06573	0.4
131.04942	0.2
131.08612	0.4
132.05307	0.2
133.03197	0.2
133.10136	0.6
134.09689	0.4
135.04462	0.3
135.08128	0.6
136.06198	2.1
136.07610	0.3
136.11259	0.4
137.06007	0.5
137.09644	0.5
138.09180	0.7
145.05060	0.2
145.06480	0.3
145.10135	0.3
146.06035	0.3
147.08102	0.3
147.10501	0.3
150.05772	0.5
150.09183	1.0
151.03951	0.5
151.07556	0.4
161.08388	0.5
162.09177	0.5
162.12830	0.3
163.03856	0.3
163.07573	0.4
163.11188	0.3
163.12360	0.4
164.09373	0.8
164.10704	3.9
164.11996	0.4
165.09694	0.5
165.11565	2.4
166.08618	0.5
172.09706	4.7
173.06053	0.3
173.09572	0.3
175.09877	0.3
179.07037	0.3
187.11227	0.3
188.10754	0.4
190.12292	1.6
195.08257	0.3
196.05228	0.4
203.73193	0.2
206.11862	0.9
208.04272	0.4
216.10376	0.3
224.04709	0.3
234.11446	0.5
239.07195	0.9
241.12250	0.6
247.14316	0.3
251.17744	0.7
252.12361	2.5
261.14902	0.3
265.08817	0.4
265.15622	0.3
267.06570	0.4
269.08069	0.3
269.52127	0.2
279.10040	0.2
279.17065	1.8
280.12369	0.2
297.07642	3.4
297.10941	0.4
297.14914	0.6
297.18149	4.5
299.06464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.85202	0.2
55.01867	0.7
55.05503	0.8
56.05037	0.4
56.96564	11.6
57.03439	4.5
59.04995	0.6
60.95850	1.5
61.02928	3.0
62.17345	0.3
65.03957	0.3
67.05502	0.6
69.03433	8.8
69.03806	0.5
69.07061	0.6
70.06601	0.8
71.01351	0.9
71.05001	1.6
71.57349	0.4
71.95274	0.4
72.08160	17.7
73.02918	2.2
74.06109	0.3
75.04478	0.6
79.05487	0.6
81.03429	2.0
81.04542	1.5
81.07054	0.5
82.06563	0.6
83.04971	0.5
84.08144	1.6
84.96041	2.0
85.02910	6.4
85.06551	0.4
87.04468	1.2
89.06043	0.5
91.03978	0.6
91.05479	2.6
93.07042	0.4
95.04957	0.7
95.08606	0.4
96.08138	0.4
97.02889	3.5
97.07637	0.3
97.96807	0.3
98.06040	0.2
98.97588	16.4
99.04465	1.8
99.97903	0.3
102.96877	2.0
103.03938	0.3
103.05550	0.2
105.07031	0.8
107.04939	1.5
107.08588	0.4
109.02903	1.3
109.06519	0.3
109.99172	0.4
110.01282	0.4
110.07166	0.3
110.97568	2.0
111.04440	0.5
112.07626	2.3
112.99123	0.8
114.96918	0.3
116.07129	0.3
116.98635	8.3
119.01839	0.3
119.04945	1.5
119.08632	0.4
120.08173	0.3
120.97901	1.1
121.06503	0.8
121.10128	0.3
122.07160	6.6
123.04430	0.8
123.07967	0.5
124.07576	0.4
124.99130	0.5
127.00616	0.3
127.03905	1.7
128.00237	0.3
128.10770	0.3
128.98611	2.2
130.08644	3.5
131.00145	1.3
131.04933	0.6
131.05942	0.3
132.97922	0.4
133.01665	0.3
133.07622	11.2
134.06029	0.4
134.99658	2.4
135.05542	0.3
135.08061	0.2
136.06142	0.3
136.07573	0.7
137.05984	3.9
138.02318	0.4
138.98943	0.5
142.01767	0.4
143.00166	1.6
144.98112	0.3
145.01758	0.6
145.04980	0.7
145.07616	19.5
146.08383	0.3
146.99625	1.3
147.03288	0.5
147.04375	1.9
147.09171	0.4
148.07584	0.3
149.01207	0.8
149.06012	0.5
150.09195	0.3
151.07483	0.5
152.98650	0.5
153.00586	0.3
155.04649	1.1
156.03328	22.2
157.01759	0.3
158.01208	0.5
158.99652	2.9
161.01244	1.3
162.99089	0.5
163.08673	68.1
164.07077	0.6
164.09207	0.3
164.10728	0.9
165.04234	0.4
165.05511	0.3
165.10260	1.4
165.11467	0.3
166.07213	0.7
167.07034	0.9
168.03331	5.1
168.05003	0.3
168.05357	0.3
169.04414	0.3
170.99597	0.6
173.01248	0.5
174.04399	24.1
174.11282	0.5
174.55127	0.4
174.99065	0.3
175.02731	0.5
175.04312	0.3
175.08640	0.3
176.05528	0.2
176.09525	0.3
177.00682	2.8
177.05518	0.7
178.05035	0.5
179.00177	0.5
179.07068	0.3
181.08563	0.6
182.99637	0.5
185.01218	0.6
185.04631	0.5
186.04391	33.9
187.02829	0.3
188.11983	0.3
189.00757	0.9
189.04306	0.7
190.04912	0.6
190.12326	0.6
191.02258	0.5
191.03848	0.5
192.05429	3.3
194.05211	0.4
194.99431	0.3
197.01163	0.6
197.06004	0.3
198.04648	0.6
200.05186	0.6
201.00703	1.0
201.05707	0.3
202.03937	0.5
203.02246	0.3
204.05452	25.3
205.00058	0.4
205.03827	0.4
205.09782	0.3
207.05463	0.5
208.04858	1.5
208.55124	0.4
209.06049	1.6
210.02074	0.5
210.04153	0.3
211.02762	0.4
213.00641	0.4
216.06638	0.5
216.58083	0.7
217.05437	1.0
218.06482	0.4
219.01801	2.9
221.03268	0.3
222.06479	1.0
223.05397	1.0
224.04774	0.3
227.02242	0.4
227.06992	0.7
228.05452	0.7
229.00240	0.4
232.05940	0.9
232.59464	0.5
233.10098	0.5
234.11368	0.4
235.02808	0.5
237.02794	3.0
239.07047	0.7
241.08565	0.4
241.12201	0.8
246.06383	0.4
251.04395	0.6
251.11235	0.4
252.12338	0.8
253.03851	0.6
255.01569	0.4
255.09990	0.3
267.06491	0.5
267.10239	0.8
267.13229	0.3
269.05426	0.9
269.08002	0.3
269.10678	0.6
273.04767	0.8
273.07562	0.3
274.05997	0.4
274.97540	2.0
279.10162	9.6
279.13376	2.8
291.03854	0.3
291.07425	0.7
292.07047	0.4
292.98578	1.2
296.58817	0.4
297.07388	2.0
297.11096	7.8
297.14447	100.0
297.99200	0.3
298.14758	0.8
298.17715	0.7
299.06119	0.5
309.08524	1.1
315.05899	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1122
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
50.01590	0.1
51.02386	0.2
53.03949	0.5
55.01875	0.2
55.05515	0.6
57.07075	0.3
59.04993	0.2
65.03951	0.2
66.21424	0.1
67.05513	0.7
69.03434	0.2
69.07076	2.7
71.05006	0.2
71.57638	0.1
72.08154	0.2
77.03922	0.5
79.05498	7.2
81.03400	0.1
81.06709	0.1
81.07072	1.2
83.08624	0.6
85.06552	0.2
89.03893	0.2
91.05486	6.7
93.07074	0.8
95.04987	1.5
95.08618	1.3
96.00014	0.1
97.06553	0.2
97.10178	0.4
98.97562	0.1
102.04642	0.1
103.05475	7.9
104.06290	0.2
105.07037	100.0
106.07397	0.6
107.04957	0.2
107.08590	0.6
109.06479	0.2
109.10145	1.0
111.11729	0.4
114.29354	0.1
115.05462	3.7
117.07017	4.0
118.04182	0.2
119.04969	0.2
119.08578	0.5
120.54359	0.1
121.06512	0.4
121.10152	0.4
123.11714	0.4
129.06984	0.2
130.04204	0.2
131.04941	2.1
131.08528	0.2
132.05721	0.4
132.50594	0.1
134.03580	0.2
135.08087	0.6
135.11729	0.3
137.05954	0.2
137.13319	0.1
143.04955	0.4
143.08607	0.1
145.06491	0.7
145.07544	0.2
145.10158	0.2
146.03627	0.3
147.04427	0.6
147.08060	1.5
148.05199	0.4
149.05978	0.5
149.13277	0.3
155.06067	0.1
158.03607	0.6
159.04390	0.5
160.05202	1.3
161.05995	10.1
162.03137	0.3
163.07515	0.2
165.07025	0.4
165.16380	0.1
171.11670	0.1
173.05992	22.2
174.06340	0.3
175.03931	0.4
175.07561	10.0
177.05501	0.2
177.16402	0.2
178.07782	1.5
186.03148	0.3
188.04707	1.1
190.07762	0.2
191.07008	0.4
191.08578	0.7
192.09340	0.2
193.04982	0.3
193.10115	0.3
201.05476	33.8
202.05789	0.3
202.07642	0.2
203.08571	0.2
204.04169	0.2
205.04962	0.4
207.08055	0.2
208.08893	0.5
218.07375	0.6
219.06502	6.3
221.06003	0.4
221.09595	0.3
223.11182	0.3
224.04762	0.1
236.08299	0.3
239.06961	0.3
241.12375	0.2
245.06004	0.1
246.06786	0.5
248.08304	0.2
249.05504	0.2
249.08948	0.2
251.10684	1.9
253.12285	3.0
261.09125	0.8
261.25705	0.2
264.07925	0.6
279.10178	38.1
280.10504	0.6
281.04480	0.2
297.03983	0.3
297.07629	1.2
297.11237	3.3
297.18518	0.3
297.22119	0.2
297.28204	0.7
298.04678	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1125
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
53.03936	1.0
55.05504	1.7
57.07066	0.7
59.68023	0.5
59.76057	0.4
67.05529	2.8
69.03436	0.7
69.07070	6.8
70.42127	0.5
70.97638	0.5
71.04982	0.7
71.08649	0.6
71.57266	0.4
71.57684	0.9
72.08138	0.5
77.03944	0.9
79.05499	9.5
81.07061	4.9
83.08599	2.0
85.06526	1.3
91.05489	8.0
93.07052	2.2
95.04969	1.8
95.08606	3.9
97.02911	0.6
97.06532	0.9
97.10183	0.7
98.97585	1.3
99.08137	0.8
103.05480	8.2
105.07036	100.0
106.07391	0.7
107.04916	0.8
107.08607	2.4
109.06529	1.3
109.10165	3.6
111.11718	0.9
115.05482	2.7
117.07021	4.2
119.08581	1.3
121.06528	0.7
121.10152	1.5
123.11720	1.6
125.09548	0.6
127.11263	0.7
130.15100	0.6
131.04944	2.3
133.10196	0.8
136.70641	0.6
137.05969	0.6
139.11212	0.6
143.04826	0.5
145.06522	0.9
145.10135	1.3
147.04420	1.2
147.08061	1.8
149.06059	0.8
149.09613	0.7
149.13286	0.8
150.97119	0.6
153.90662	0.5
157.10123	0.9
158.03632	0.6
160.05247	1.2
161.05980	9.7
165.07025	0.7
173.05995	21.8
173.13234	0.6
175.04060	0.8
175.07547	9.9
177.05493	0.6
178.07780	1.4
188.04663	0.9
191.08527	0.9
196.05266	0.6
201.05476	34.8
203.14250	0.7
211.07573	0.9
219.06511	6.2
237.09160	1.0
239.07040	1.4
241.12288	1.0
246.06790	0.5
251.10730	2.2
253.12248	2.8
261.09113	0.7
261.26117	0.6
265.08594	1.9
267.06720	0.8
279.10175	39.0
280.10571	0.9
297.03998	1.7
297.07629	7.4
297.11304	6.3
297.18500	1.7
297.22183	1.4
297.27994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1124
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
51.02374	0.6
52.52608	0.4
53.03953	1.0
53.60517	0.4
55.05497	0.8
57.23030	0.4
67.05500	0.9
69.03419	1.0
69.07076	2.6
70.68285	1.4
79.05500	8.0
81.07056	2.1
83.08649	0.9
91.05479	8.0
93.07037	2.1
95.04975	1.7
95.08597	2.8
98.21363	0.5
103.05474	9.5
105.07037	100.0
106.07368	0.8
107.04960	1.3
107.08594	1.2
109.10167	1.4
111.11726	0.6
115.05486	3.5
116.06213	0.6
117.07036	4.5
119.08561	0.8
121.06507	2.3
121.10110	0.6
122.06855	0.7
123.11747	0.7
128.06172	0.9
128.66028	0.5
131.04915	1.8
132.05693	0.5
135.08061	0.8
137.05960	0.7
143.04909	0.5
145.06516	0.8
147.04413	1.4
147.08037	2.2
149.06010	0.6
158.03613	0.9
160.05232	1.5
161.05995	9.7
163.07576	0.5
168.71811	0.5
173.05992	22.8
175.03937	0.9
175.07538	11.5
177.14847	0.6
178.07854	1.4
188.04649	0.6
191.08559	0.7
193.10248	0.7
201.05482	35.0
208.08826	0.7
212.04788	0.6
218.07307	0.5
219.06532	7.1
219.08282	0.3
224.04753	0.7
226.19496	0.4
234.06761	0.7
239.03410	0.9
239.07100	0.9
241.12202	0.8
246.06917	0.8
246.34668	0.6
251.10684	2.1
253.12247	3.1
261.09219	0.9
267.06577	0.9
269.08185	1.2
279.10184	42.9
280.10596	0.5
297.04233	1.1
297.07657	6.6
297.11313	5.4
297.17026	0.6
297.20435	1.1
298.04807	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	297.1123
Annotation	Dasytrichone
Peak:m/z	Relative Intensity
53.03940	0.8
67.05504	1.0
69.07052	0.7
71.46905	0.9
79.05502	7.8
81.07070	1.1
87.76486	0.4
88.07278	0.5
91.05486	13.6
93.07040	1.7
95.04967	1.6
95.08604	1.7
98.78776	0.5
102.72083	0.5
103.05480	10.3
105.03414	1.2
105.07038	100.0
106.07411	0.7
107.08603	1.3
115.05459	4.5
116.98625	0.5
117.07015	3.4
119.08591	1.0
121.10213	1.0
131.04926	2.7
132.05743	0.9
135.08064	0.7
141.78949	0.5
145.06476	0.8
145.10115	0.8
147.04482	0.7
147.08025	1.1
149.06033	0.6
153.06969	0.5
157.10172	0.6
158.03604	0.5
159.04520	1.1
160.05182	1.3
161.05992	10.8
163.07585	0.5
165.06927	0.9
168.05751	2.1
173.05994	19.5
175.07579	9.8
177.05527	0.7
178.07831	2.1
180.09302	0.7
183.08051	0.8
186.84904	0.5
187.14928	0.8
188.04726	0.6
191.07047	1.5
191.08656	1.3
193.10297	0.5
196.05219	4.5
201.05478	31.9
205.05038	0.7
205.15964	0.7
208.08873	0.5
211.07581	4.6
218.07358	0.9
219.06506	9.1
220.08841	0.7
224.04704	7.2
238.06261	0.7
239.07034	13.8
241.08633	2.1
251.10826	2.6
252.04240	1.8
253.12251	2.3
254.05898	0.6
261.09076	0.8
267.06546	9.3
279.10178	36.1
282.05264	1.0
297.07657	46.8
297.11264	10.6
297.18607	1.1
298.08228	0.7
306.20108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
58.91503	0.3
71.02166	0.6
77.03930	0.7
79.05047	0.7
79.05492	8.0
89.03921	0.8
91.05476	6.7
92.49859	0.4
93.07056	0.5
95.04961	1.7
95.08634	0.4
98.97649	0.4
102.04604	0.4
103.05473	8.0
105.07030	100.0
106.07326	0.5
107.08614	0.6
113.86552	0.4
115.05457	4.0
117.07025	4.4
119.08555	0.7
121.06527	0.4
131.04942	1.7
132.05716	0.4
133.06496	0.4
135.04411	0.5
138.95064	0.4
139.31856	0.3
145.06534	1.0
145.07588	0.5
146.03664	0.6
147.04433	0.5
147.08028	1.1
152.06229	0.5
153.06999	0.6
158.03622	0.8
159.04356	0.7
160.05235	1.1
161.04637	0.7
161.05972	11.4
163.07578	0.4
165.07056	1.3
168.05704	2.4
173.05989	25.3
174.06314	0.4
175.03877	0.5
175.07549	10.3
177.05424	0.5
178.07756	1.9
183.08061	1.2
188.04683	1.0
191.07018	0.9
191.08598	1.0
193.10097	0.5
193.55687	0.4
195.08153	0.7
196.05179	5.6
198.06859	0.4
201.05464	37.6
205.04932	0.5
208.05130	0.4
208.09010	0.6
210.06725	0.5
211.07556	5.4
219.06497	7.5
224.04665	7.6
224.06747	0.6
226.06151	0.8
236.08517	0.5
239.03345	0.9
239.07048	17.7
241.08626	1.9
246.06929	0.6
247.07529	0.5
251.07298	0.4
251.10739	2.5
252.04257	1.7
253.12251	2.6
254.05823	1.8
261.09238	0.8
264.07898	0.9
267.03354	0.7
267.06509	10.7
269.08130	0.9
279.10165	40.9
280.10669	0.7
282.05209	8.4
297.07611	63.4
297.11191	5.6
298.07941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1123
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
50.01597	0.4
50.73914	0.2
51.02392	0.4
53.03949	0.9
55.05510	0.5
63.02388	0.2
67.05509	0.7
69.07063	1.5
77.03922	0.4
77.69244	0.3
78.45676	0.2
79.05497	7.4
79.46143	0.2
81.07054	0.8
83.08631	0.4
91.05487	6.7
93.07047	0.6
95.04970	1.2
95.08625	0.7
97.06528	0.2
97.10158	0.3
98.97569	0.4
103.05476	7.9
103.78981	0.2
105.07038	100.0
106.07381	0.9
107.04980	0.4
107.08601	0.4
109.10168	0.4
111.06414	0.2
115.05465	3.7
116.06313	0.3
117.07029	4.1
119.08630	0.3
121.06525	0.4
121.10128	0.3
121.47605	0.3
130.04121	0.2
130.61684	0.2
131.04930	1.8
131.08559	0.3
132.05743	0.6
133.06456	0.2
135.08057	0.5
145.06532	0.7
146.03671	0.4
147.04433	0.7
147.08051	1.8
148.05190	0.4
149.06075	0.3
158.03661	0.5
159.04431	0.4
160.05171	1.2
161.05989	9.5
162.03146	0.3
165.06944	0.3
173.05998	21.8
175.04008	0.4
175.07567	10.3
178.07785	1.6
182.16081	0.2
186.03152	0.4
188.04721	0.7
191.07047	0.4
191.08641	0.4
193.10187	0.3
196.05185	0.3
196.65245	0.2
198.63446	0.2
200.33047	0.2
201.05479	35.9
202.05827	0.6
202.07703	0.2
204.04176	0.5
205.05057	0.4
208.08861	0.4
218.07297	0.8
219.06514	5.8
219.08487	0.4
221.05949	0.4
223.11163	0.4
246.06885	0.6
248.08438	0.3
250.25948	0.2
251.10751	1.5
253.12285	2.7
261.09143	1.0
264.07910	0.7
279.10187	40.3
280.10565	0.5
285.69229	0.3
297.04419	0.4
297.07620	1.5
297.11292	3.0
298.04681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.112
Annotation	demethoxyegonol
Peak:m/z	Relative Intensity
51.02390	0.6
53.03949	1.3
69.33352	4.6
76.11827	0.6
79.00957	0.5
79.05500	6.6
91.05482	7.1
93.07047	0.5
94.38099	0.5
95.04977	0.7
100.46698	0.5
103.05477	7.5
105.03391	0.8
105.07039	100.0
107.08622	0.6
115.05455	3.5
116.98618	0.5
117.07034	3.4
131.04939	1.6
135.08086	0.5
143.04915	0.7
145.06546	0.7
147.04471	0.6
147.08087	1.6
158.03671	0.7
160.05217	1.2
161.04645	0.6
161.05984	10.3
172.91428	0.5
173.06000	22.8
175.07547	10.6
178.07831	1.2
188.04698	0.5
188.51018	0.6
191.07137	0.5
191.08653	0.6
201.05482	35.6
211.07646	0.6
218.07320	0.9
219.06508	6.8
219.08273	0.8
221.05995	0.6
223.11249	0.8
246.06854	0.6
251.10667	1.8
253.12321	3.0
261.09113	0.8
264.07877	0.6
267.06601	0.9
279.10187	40.2
280.10611	0.9
282.05249	1.0
297.04141	1.2
297.07626	5.2
297.11295	5.4
297.26031	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	297.1122
Annotation	CHEBI:70656
Peak:m/z	Relative Intensity
51.02375	0.3
51.87615	0.4
53.03947	1.3
55.05508	0.5
56.96543	0.5
59.39476	0.3
65.03945	0.6
67.05511	0.9
69.07076	0.6
71.58109	0.6
79.05498	7.1
81.07052	1.2
91.05484	13.6
93.07047	0.9
95.04979	2.0
95.08601	0.8
96.16357	0.4
103.05472	17.7
105.03399	2.3
105.07034	100.0
106.07378	1.4
107.04970	0.4
107.08595	1.1
107.93694	0.4
115.05449	6.3
116.06237	0.5
117.07008	5.7
119.04957	0.5
119.08601	1.1
120.48222	0.4
121.06520	1.0
123.08050	0.4
128.06166	0.4
129.06984	0.7
131.04926	8.2
133.02876	1.1
133.06493	2.5
135.08029	2.1
137.05988	0.7
141.06975	1.2
143.04913	1.8
145.06467	2.3
146.03616	0.6
147.04411	2.0
147.08049	1.8
147.33296	0.4
148.05182	1.2
149.05988	2.3
151.07553	1.3
152.06190	0.4
153.07005	0.5
155.08571	0.5
158.03644	1.2
159.04417	4.5
159.11702	0.6
160.05203	1.6
161.05984	16.3
163.07550	3.7
165.06979	3.0
166.07796	1.5
167.08582	0.6
173.05994	23.4
175.03905	0.5
175.06059	0.5
175.07555	10.5
177.01828	1.2
177.05432	1.6
178.07784	5.9
179.07132	0.6
179.08553	1.3
180.09326	0.6
181.06552	0.5
181.10159	0.8
187.03976	0.5
188.04694	1.1
189.05420	0.7
189.07005	0.7
190.07785	0.7
191.07027	8.0
191.08586	3.7
192.09328	1.0
193.04919	0.5
193.10153	1.7
194.07292	0.6
195.08086	0.6
197.09814	0.4
201.05473	32.8
202.07826	0.4
206.05780	0.6
207.08093	1.2
208.08829	1.7
209.09616	1.4
218.07289	1.4
219.06500	32.2
221.06013	0.9
221.09592	1.5
223.11157	1.5
225.09094	0.8
233.09677	0.5
235.07515	1.2
236.08244	1.0
237.09099	1.0
239.06998	0.8
239.10771	0.5
241.08470	0.5
246.06815	0.8
247.07495	0.5
249.09032	0.8
251.10690	4.9
253.08545	0.7
253.12155	2.5
261.09103	1.3
264.07922	1.2
269.08215	0.4
269.11813	2.7
274.97461	0.5
279.10175	43.9
279.25162	0.5
280.10303	0.5
282.05228	1.0
297.04102	0.9
297.07629	5.6
297.11182	38.8
297.22180	1.2
297.25638	0.7
298.11563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.076
Annotation	3'-Methoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.86096	0.3
55.05474	0.5
55.44860	0.3
60.34176	0.4
61.11986	0.4
63.76565	0.3
66.13336	0.3
69.07005	0.7
69.57122	0.8
69.57542	1.6
77.39975	0.4
79.05460	0.5
81.06993	1.0
91.05484	2.6
93.06989	0.6
95.08566	1.0
97.06472	0.5
103.05412	1.1
105.03350	0.5
105.07027	2.3
107.08513	0.7
108.66113	0.3
109.02864	0.5
109.10115	0.4
115.05342	0.4
117.06953	0.5
119.08543	0.4
119.44355	0.4
121.06456	0.5
121.10073	0.5
128.06146	1.2
131.04889	0.8
139.05452	0.6
140.06126	1.3
141.06906	0.7
142.07794	0.5
151.03931	0.5
152.06212	0.7
153.06877	0.5
155.04964	0.3
156.05605	1.0
159.04434	0.4
161.05966	1.1
165.06912	0.6
166.07733	0.3
168.05710	8.0
169.06352	0.7
170.07082	0.7
173.05904	0.8
175.03874	0.5
183.04405	1.0
184.05167	1.2
191.06999	1.0
191.08574	0.5
196.05209	7.0
197.05972	2.3
198.06790	2.0
201.05435	1.1
208.05176	0.6
209.05881	0.6
211.07596	0.9
212.04663	1.7
219.06500	3.6
224.04704	2.2
225.05501	2.5
226.06232	2.8
236.04671	1.2
239.07153	1.8
240.04190	0.7
241.04967	1.6
241.12187	0.8
251.07031	1.5
251.10754	0.6
252.04007	0.7
253.04857	2.1
254.05762	7.4
266.09402	0.6
267.06476	1.3
268.03699	0.6
269.04556	1.3
269.08139	1.2
279.10229	1.4
281.04456	1.8
282.05249	52.7
283.05768	0.9
295.05881	0.6
297.07605	100.0
297.11148	5.9
297.16245	2.3
298.04773	4.2
298.08090	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0759
Annotation	Coumestrol dimethyl ether
Peak:m/z	Relative Intensity
54.73354	0.5
55.05486	0.7
56.96538	0.6
58.23943	0.5
67.05483	1.0
68.99747	0.4
69.07054	1.0
69.24627	3.5
69.25032	1.0
77.62519	0.5
79.05459	1.4
81.03390	0.5
81.07022	1.1
91.05478	2.2
93.07039	0.7
95.08585	1.3
96.35281	0.5
97.06475	0.9
98.97560	0.6
103.05427	1.4
105.07043	3.4
107.04958	2.7
107.08549	0.8
109.10129	1.1
113.05929	0.5
115.05444	0.6
117.06969	0.7
125.71062	0.4
131.04848	0.5
133.02785	1.6
135.04440	2.1
145.10075	0.7
147.04427	5.2
153.06941	0.6
159.04338	0.5
162.30687	0.4
163.03992	0.6
165.07002	0.8
168.05717	0.6
169.10223	0.5
175.03908	6.5
183.11630	0.5
188.04648	0.9
196.05165	1.0
197.05949	0.6
201.05348	0.8
211.07559	1.2
211.14809	0.5
214.04424	0.5
216.54124	0.4
216.88501	0.5
225.05486	0.8
235.17097	0.4
239.03294	0.5
239.07109	2.3
241.12161	0.5
252.04245	1.0
253.05037	2.4
254.05820	2.1
265.04956	0.9
267.06491	1.3
269.08029	0.4
279.10059	1.2
281.04459	71.3
282.05240	35.3
282.08505	0.9
283.05902	1.0
293.85934	0.5
297.07593	100.0
298.07855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0395
Annotation	Medicagol
Peak:m/z	Relative Intensity
55.05476	0.4
67.05476	0.4
69.07040	0.6
71.08644	0.9
72.67828	0.4
73.65128	0.4
75.95161	0.4
79.05470	0.8
81.07009	1.0
91.05450	1.0
93.06979	0.6
95.08549	0.6
96.92632	0.4
98.97520	0.4
100.21576	0.4
105.03416	0.4
105.06962	1.7
115.05394	0.8
131.01244	0.7
139.05435	3.1
141.06949	0.7
149.05931	0.6
150.50060	0.5
155.04918	1.6
167.04854	1.3
168.04291	0.4
169.06465	0.5
176.19328	0.5
183.04341	1.1
185.05931	1.6
195.04420	17.3
211.03958	3.8
223.03923	0.9
225.05527	2.2
236.03117	0.4
239.03403	50.3
240.03760	1.0
241.04955	5.7
244.64345	0.4
253.04945	1.1
267.02893	98.9
268.03268	1.4
269.04459	11.0
269.07712	0.5
279.10193	0.7
282.05289	0.9
296.25882	0.6
297.03964	100.0
297.07355	6.0
297.22241	0.7
297.25717	0.6
298.04315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0758
Annotation	Milleyanaflavone
Peak:m/z	Relative Intensity
59.83594	0.3
69.58146	2.4
71.80180	0.3
75.14833	0.4
76.82639	0.3
80.60502	0.4
83.27689	0.3
89.03915	0.8
98.21462	0.7
114.07001	0.3
135.04405	0.8
139.05379	0.3
140.06187	0.5
152.06213	0.7
168.05711	4.2
170.66803	0.3
183.08038	1.5
195.08121	0.4
196.05202	10.4
198.06880	0.4
207.04192	0.3
211.07556	10.6
213.09129	0.6
224.04681	13.4
238.06241	0.8
239.07036	33.1
241.08582	3.4
252.04198	4.6
254.05766	1.1
267.06531	22.7
269.08173	0.9
282.05109	0.6
297.07587	100.0
298.08014	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2011
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
51.02380	0.6
53.03952	2.2
55.01865	0.4
55.05492	0.9
56.96558	0.6
57.07076	0.6
65.91896	0.4
67.05505	1.2
69.03448	0.4
69.07072	4.3
69.74753	0.4
70.07388	1.0
70.48935	0.4
77.03968	0.5
79.05499	1.1
81.03429	0.6
81.07059	3.0
82.07391	0.8
84.73257	0.4
85.06545	0.5
91.05486	13.7
93.07053	20.7
95.04974	3.1
95.08611	1.4
98.38989	0.5
98.97572	0.8
102.04683	0.4
103.05476	15.0
105.04523	1.3
105.07018	0.8
106.07370	0.4
107.04948	0.5
107.08607	0.9
108.08883	0.9
109.10158	1.0
110.10541	0.6
111.08087	0.5
111.11687	0.6
112.12104	0.4
114.59101	0.4
117.05727	0.4
118.06543	4.6
119.01031	0.4
120.08064	0.4
121.06511	100.0
123.11720	1.4
124.12069	1.1
132.08109	1.8
133.08842	0.9
134.09573	0.5
135.11665	0.5
146.09634	1.0
149.13321	0.5
150.05511	0.5
176.14357	71.8
177.05478	0.6
177.14668	0.5
183.03065	0.5
245.12541	0.4
296.20102	91.7
297.07541	1.9
297.20468	1.1
315.08667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05988	1.6
51.22192	1.4
53.03946	2.7
54.48170	1.3
55.05513	2.7
58.06593	1.9
60.04528	11.7
65.03952	1.8
67.05501	3.7
69.03420	6.0
69.07069	2.7
70.02957	9.8
71.57677	2.3
79.05493	19.1
81.07060	15.3
86.02432	6.8
88.03996	59.0
91.05482	26.2
93.07051	65.7
95.04982	4.3
95.08600	3.9
96.00864	3.7
96.08891	1.3
102.05547	100.0
104.03465	3.6
105.04483	1.5
105.07045	14.1
107.04961	3.2
107.08597	65.6
109.06515	8.2
110.06024	7.8
113.02367	5.2
119.08569	2.7
121.06517	44.7
121.10150	81.8
123.08065	2.3
123.11731	13.1
124.07602	1.8
128.03436	1.6
130.04959	2.2
131.08574	5.8
137.06032	1.5
145.10147	2.2
146.04491	9.8
148.06050	77.5
149.09627	51.6
150.68303	1.7
159.08113	2.1
175.07474	1.6
176.10699	12.2
190.12352	2.0
218.11781	16.5
236.12752	7.7
250.14406	11.4
264.12399	1.5
278.13812	1.8
278.25815	1.4
296.10776	2.6
296.15128	4.4
296.18634	21.4
297.07474	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	296.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43653	2.5
52.12743	3.2
53.03959	4.4
54.54291	2.5
55.01871	6.5
55.05507	5.6
55.32113	2.7
55.85086	2.6
56.96567	46.3
57.03448	21.6
58.06618	3.3
61.02927	31.3
69.03442	38.9
70.03732	2.9
70.28435	7.1
70.28825	6.6
71.01346	4.5
71.04989	9.4
71.38786	2.9
73.02932	21.7
75.56626	2.9
81.03420	22.0
83.00822	3.1
83.04965	6.0
84.08132	7.0
84.96043	8.9
85.02914	65.2
86.61772	2.7
87.04436	13.5
91.03992	4.5
97.02896	34.0
97.47186	2.6
98.01304	4.1
98.97593	100.0
99.04455	7.5
100.99139	3.3
101.00830	5.4
102.01563	3.5
103.02374	4.8
106.02843	3.4
109.02909	15.9
110.01283	12.7
110.97559	22.3
111.97766	3.2
112.02856	3.9
112.99161	11.3
116.07122	3.0
116.98634	24.8
117.02053	4.3
119.01766	14.7
120.97955	3.7
121.03397	3.1
124.99112	5.2
125.01793	6.1
127.00689	3.6
127.03970	18.5
128.02328	3.9
128.56497	2.9
128.98605	16.4
129.05536	3.5
131.00180	13.1
131.01799	4.2
132.02666	3.2
134.02335	9.1
134.99648	4.0
136.02850	3.0
136.07591	3.6
137.06000	3.2
140.02298	10.0
143.00166	10.5
143.01842	3.5
143.02858	3.7
144.98055	3.3
145.01764	8.1
145.05025	6.7
146.02345	6.1
146.99664	7.7
147.03212	4.2
149.01181	4.8
149.02881	6.1
151.08086	4.5
152.02319	4.1
153.03091	5.6
155.00148	4.1
155.02859	23.1
156.03615	3.8
157.01740	3.1
158.99664	25.4
159.03201	3.5
161.01239	6.9
161.02800	4.1
163.02811	5.3
164.03404	3.2
169.04445	3.9
170.03342	3.0
170.99660	10.6
173.01288	11.1
173.02779	3.1
174.11304	7.1
175.02864	4.6
175.04305	3.6
176.03317	5.5
177.00706	10.5
177.04199	9.4
178.04973	9.5
182.99548	3.9
184.04944	78.7
184.55023	5.9
186.04678	8.3
189.00777	9.1
191.03896	18.2
192.04739	4.6
193.05457	33.8
197.03894	9.0
200.04471	9.5
200.06371	3.9
201.00826	7.8
204.56313	5.2
205.03786	5.6
205.05478	4.8
206.02623	5.4
206.04408	42.3
206.54648	5.5
207.05182	6.2
209.05006	3.1
213.03491	4.0
215.04961	27.1
215.06859	7.9
219.01712	19.3
221.03210	3.7
223.04881	4.1
224.05591	3.9
237.02847	9.2
257.05963	2.8
267.04025	3.7
269.05450	7.0
276.62827	3.0
287.06982	5.7
291.03973	7.8
295.06943	3.6
295.58789	3.9
296.09351	12.9
296.16586	4.4
308.21741	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	296.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43653	2.5
52.12743	3.2
53.03959	4.4
54.54291	2.5
55.01871	6.5
55.05507	5.6
55.32113	2.7
55.85086	2.6
56.96567	46.3
57.03448	21.6
58.06618	3.3
61.02927	31.3
69.03442	38.9
70.03732	2.9
70.28435	7.1
70.28825	6.6
71.01346	4.5
71.04989	9.4
71.38786	2.9
73.02932	21.7
75.56626	2.9
81.03420	22.0
83.00822	3.1
83.04965	6.0
84.08132	7.0
84.96043	8.9
85.02914	65.2
86.61772	2.7
87.04436	13.5
91.03992	4.5
97.02896	34.0
97.47186	2.6
98.01304	4.1
98.97593	100.0
99.04455	7.5
100.99139	3.3
101.00830	5.4
102.01563	3.5
103.02374	4.8
106.02843	3.4
109.02909	15.9
110.01283	12.7
110.97559	22.3
111.97766	3.2
112.02856	3.9
112.99161	11.3
116.07122	3.0
116.98634	24.8
117.02053	4.3
119.01766	14.7
120.97955	3.7
121.03397	3.1
124.99112	5.2
125.01793	6.1
127.00689	3.6
127.03970	18.5
128.02328	3.9
128.56497	2.9
128.98605	16.4
129.05536	3.5
131.00180	13.1
131.01799	4.2
132.02666	3.2
134.02335	9.1
134.99648	4.0
136.02850	3.0
136.07591	3.6
137.06000	3.2
140.02298	10.0
143.00166	10.5
143.01842	3.5
143.02858	3.7
144.98055	3.3
145.01764	8.1
145.05025	6.7
146.02345	6.1
146.99664	7.7
147.03212	4.2
149.01181	4.8
149.02881	6.1
151.08086	4.5
152.02319	4.1
153.03091	5.6
155.00148	4.1
155.02859	23.1
156.03615	3.8
157.01740	3.1
158.99664	25.4
159.03201	3.5
161.01239	6.9
161.02800	4.1
163.02811	5.3
164.03404	3.2
169.04445	3.9
170.03342	3.0
170.99660	10.6
173.01288	11.1
173.02779	3.1
174.11304	7.1
175.02864	4.6
175.04305	3.6
176.03317	5.5
177.00706	10.5
177.04199	9.4
178.04973	9.5
182.99548	3.9
184.04944	78.7
184.55023	5.9
186.04678	8.3
189.00777	9.1
191.03896	18.2
192.04739	4.6
193.05457	33.8
197.03894	9.0
200.04471	9.5
200.06371	3.9
201.00826	7.8
204.56313	5.2
205.03786	5.6
205.05478	4.8
206.02623	5.4
206.04408	42.3
206.54648	5.5
207.05182	6.2
209.05006	3.1
213.03491	4.0
215.04961	27.1
215.06859	7.9
219.01712	19.3
221.03210	3.7
223.04881	4.1
224.05591	3.9
237.02847	9.2
257.05963	2.8
267.04025	3.7
269.05450	7.0
276.62827	3.0
287.06982	5.7
291.03973	7.8
295.06943	3.6
295.58789	3.9
296.09351	12.9
296.16586	4.4
308.21741	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	295.2633
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
53.03942	1.3
53.86924	0.7
55.01870	2.1
55.05513	13.8
56.96561	1.1
57.03416	0.8
57.07078	5.2
59.05000	4.1
60.05120	0.6
67.05503	20.1
68.02961	0.7
69.03109	0.6
69.03423	3.8
69.07070	100.0
70.04903	3.2
71.05005	2.8
73.06517	0.7
79.05489	10.2
81.03434	1.0
81.07060	64.7
83.04989	1.8
83.08627	7.7
85.02908	1.1
85.06545	7.8
86.88149	0.8
91.05475	6.2
93.07048	22.3
93.07621	1.3
94.06571	1.4
95.05002	2.1
95.08606	38.0
97.06548	4.6
97.10170	6.7
98.97587	1.3
99.04453	0.7
99.08094	3.5
100.22513	0.6
105.07038	9.4
107.04976	0.8
107.08595	20.2
107.09278	1.2
109.02845	0.6
109.06541	2.6
109.10158	24.9
111.08104	3.2
111.11727	19.3
111.68187	0.6
113.09664	1.2
117.83685	0.7
119.08583	8.5
120.08097	0.8
121.06548	1.9
121.10149	22.5
123.08117	1.4
123.11709	50.2
123.57139	0.6
125.09653	3.2
127.11227	1.5
129.07014	1.0
129.12811	2.0
131.08588	1.2
133.06516	0.9
133.10121	4.1
135.08047	1.1
135.11703	16.4
135.12698	1.0
137.09689	1.5
137.13272	3.8
139.11172	13.4
139.12180	0.9
143.08624	0.8
145.10136	1.7
146.06044	3.1
146.10486	0.7
147.11710	5.6
149.13249	14.5
149.14343	1.2
149.41597	0.7
151.11230	1.2
151.14946	1.1
153.12758	1.5
157.10168	1.3
157.12231	1.3
159.11742	0.9
161.09625	1.0
161.13310	2.5
163.14810	4.7
165.12790	1.3
167.14313	2.1
169.10252	0.8
175.14905	2.0
177.16371	4.0
181.10167	0.7
185.15437	0.9
189.05545	0.9
189.16380	1.0
190.01369	0.7
191.10606	0.6
193.16057	1.2
195.17555	1.1
201.16429	0.7
203.18068	2.4
215.26201	0.6
216.74690	0.8
217.08539	0.7
221.19086	1.0
224.08426	0.9
227.20195	2.4
239.20186	1.7
244.09959	0.7
249.09102	1.0
259.24255	3.0
267.10367	1.4
277.08673	1.6
277.22205	1.5
277.25323	8.7
295.06152	2.9
295.09717	3.1
295.18835	5.6
295.26349	16.3
300.06421	0.9
315.08643	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	295.227
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03947	5.3
55.01870	46.9
55.05263	4.3
55.05512	66.3
56.92765	2.7
56.96558	2.7
57.03426	6.0
57.07067	10.2
59.05009	3.1
65.03939	3.7
67.05505	86.2
69.03426	7.4
69.07066	46.0
69.51219	2.5
70.17064	11.1
71.04990	8.3
71.08637	30.0
73.06587	3.2
79.05495	48.0
81.03413	12.1
81.07058	94.0
83.04980	23.1
83.08618	38.1
85.06522	9.1
85.10173	8.6
88.04008	3.2
91.05477	46.9
93.07050	59.3
95.04953	19.6
95.08604	52.8
97.06534	20.3
97.10165	13.1
98.97596	4.6
99.08089	24.1
105.07031	42.6
107.04964	5.3
107.08598	37.3
109.06530	13.2
109.10153	31.6
111.08075	43.9
113.09640	10.7
117.07031	8.8
119.08596	30.4
121.06500	3.5
121.10119	31.4
123.08076	10.8
123.11703	15.3
125.09618	17.4
129.07011	7.7
131.08578	11.0
133.10132	23.6
135.08075	5.0
135.11714	16.0
137.06003	3.2
137.09604	8.3
137.13306	3.4
139.11179	8.6
143.08597	5.3
145.10133	8.1
147.11691	27.7
149.09622	9.4
149.13286	19.5
151.11186	36.9
153.12726	4.1
157.10118	9.5
159.11668	4.9
161.13239	17.1
163.11102	13.6
163.14764	3.0
165.12764	29.3
167.14262	4.0
169.10107	3.1
171.11699	4.1
173.13286	7.2
175.11162	4.0
175.14833	6.6
179.14314	12.7
181.12099	2.9
185.13258	5.3
189.05507	5.3
189.11198	8.5
189.12762	3.9
189.16473	3.2
199.14870	5.3
202.03253	3.3
207.13742	3.4
217.04906	6.7
221.15355	3.4
231.21155	5.0
241.19650	7.0
249.22176	11.4
259.20673	10.6
267.36465	2.8
271.76236	2.9
277.21640	100.0
295.06046	11.8
295.09802	10.1
295.13287	4.0
295.19598	4.7
295.22754	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01863	4.0
55.05513	46.9
57.03427	3.4
57.07074	3.8
64.95223	3.5
65.03933	3.4
67.05508	100.0
69.03410	9.0
69.07069	17.7
71.08620	6.2
71.34220	7.1
79.05495	41.6
81.07059	65.3
83.04977	6.1
83.08630	30.7
91.05489	15.2
93.07048	38.5
95.08620	27.3
97.06560	4.7
97.10180	46.1
99.08108	7.8
105.07014	16.7
107.08609	46.8
109.06545	5.5
109.10171	76.3
117.07040	5.4
119.08584	13.9
121.10179	26.2
123.11720	6.7
125.09646	39.3
133.10129	10.8
135.08064	5.9
135.11723	23.1
141.77101	3.5
145.10106	6.7
147.11694	6.4
149.13268	11.0
151.11147	6.9
153.09149	3.5
159.11678	4.7
161.13269	6.7
163.11206	4.3
171.10268	6.1
179.14328	16.1
185.13264	3.7
189.11253	20.9
221.59808	3.3
241.19565	5.8
259.20566	9.5
277.21667	56.1
295.06046	14.4
295.22778	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.32964	4.3
53.03959	32.3
55.01874	13.4
55.05512	44.1
57.07074	9.6
65.03944	6.6
67.05507	94.0
69.07072	72.8
69.60890	21.1
69.61295	10.0
71.04993	6.9
71.08644	9.8
72.00652	4.9
79.05498	47.7
81.03422	91.0
81.03858	8.7
81.07068	85.4
83.04979	28.9
83.08624	21.2
85.06529	5.8
91.05488	77.4
93.07066	58.0
95.04970	46.1
95.08615	38.2
97.06529	9.3
97.10174	12.5
99.08091	10.1
103.05502	6.8
105.07033	58.1
107.08591	38.8
109.06561	15.6
109.10162	27.9
111.08086	6.8
114.60175	5.9
117.07047	7.2
119.04970	7.9
119.08572	26.7
121.10129	22.7
123.11692	11.2
125.09631	12.2
129.06969	11.6
131.08580	8.1
133.10124	33.0
135.08098	6.7
135.11720	14.0
137.05984	6.8
143.08548	8.3
145.10126	9.4
147.11737	22.8
149.13263	10.0
151.11197	65.8
155.08636	5.2
159.11708	5.9
161.05978	9.8
161.13310	17.7
163.14830	10.3
165.12793	18.6
171.11659	12.6
175.11235	6.9
175.14880	6.5
178.07768	9.7
179.14346	7.8
185.13187	6.2
189.05379	7.7
189.09100	8.5
193.12442	5.3
211.07559	5.7
213.09265	5.2
217.08588	13.9
224.04581	9.9
224.08264	5.2
225.09146	9.9
227.10710	6.0
231.21048	17.3
239.10793	7.6
241.19412	8.8
249.22168	9.3
251.06912	5.0
253.08682	6.4
259.20593	16.7
267.10272	23.5
267.13855	9.8
277.08585	7.4
277.21643	100.0
295.06140	56.0
295.09616	13.9
295.13266	50.1
295.16934	56.2
295.24313	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.98477	1.4
53.03947	2.8
55.01867	3.8
55.05512	13.9
57.03189	1.8
57.03442	31.4
57.07069	2.1
61.84594	1.4
67.05171	2.5
67.05512	41.8
67.74041	1.3
69.07072	13.3
69.85386	4.9
71.04990	2.8
71.28894	1.3
79.05500	34.0
81.07066	67.0
83.04980	2.5
83.08626	10.1
85.06541	3.5
86.18880	1.4
91.05489	22.9
93.07056	36.5
95.04993	2.5
95.08617	62.7
97.06538	4.9
97.10179	4.5
99.08096	3.8
105.07037	18.8
107.08605	26.2
109.06542	3.5
109.10177	18.7
111.08077	2.6
117.07038	5.3
119.08571	9.8
121.10158	27.1
123.08063	9.3
123.11719	5.6
125.09601	2.7
129.07013	2.4
131.08556	9.1
133.10147	9.6
135.11699	18.9
137.09601	4.7
139.11162	2.5
143.08569	1.5
145.10133	8.9
147.11691	11.0
149.09671	2.2
149.13290	9.4
151.11180	2.0
152.06148	2.6
157.10078	1.6
159.11713	7.5
161.05942	1.5
161.13272	4.0
163.11180	3.4
163.14809	2.3
165.12749	2.1
167.10707	2.0
168.05745	3.6
171.11732	2.9
173.13290	3.9
175.14882	2.4
177.16447	2.6
181.12245	3.3
185.13341	2.5
187.14816	14.0
191.08714	1.9
196.05206	11.4
203.18004	2.1
205.15872	7.3
208.05243	14.2
211.07704	2.0
213.16422	2.3
221.19019	7.8
223.16943	6.1
224.04718	11.1
236.04723	3.3
238.06316	1.9
239.07048	9.5
241.19553	4.7
247.01804	1.4
251.07079	4.2
252.04231	5.7
259.20590	12.6
267.06760	1.5
267.09964	2.3
277.21664	36.0
280.03671	6.5
295.06052	100.0
295.13315	5.3
295.16791	1.9
295.22803	6.0
296.06223	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	295.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01875	9.5
55.05515	8.3
56.96566	10.8
57.07073	4.8
58.59208	2.1
67.05507	13.0
69.07067	9.7
69.19989	2.3
69.64484	10.4
69.64912	7.3
77.58140	2.7
79.05495	11.1
81.07065	40.0
83.05000	4.6
83.08612	5.4
91.05495	26.9
93.07056	12.9
95.08626	11.4
98.97569	4.5
103.05518	3.5
105.07043	28.3
107.08611	10.2
109.06506	17.2
109.10152	8.6
111.04458	12.9
119.08584	9.5
121.10169	10.7
123.08110	4.1
123.11758	3.4
125.05971	3.4
129.06995	3.4
131.37326	2.2
133.06502	3.1
133.10144	5.6
135.08067	2.9
135.11778	4.5
137.05989	100.0
137.09656	2.9
141.06999	3.1
143.08615	3.1
145.10133	5.0
147.08102	2.5
147.11714	5.7
149.09679	4.6
151.07556	4.5
157.10135	2.8
159.11671	3.3
161.09628	5.7
161.13264	2.3
163.11276	4.1
165.06970	2.8
166.07765	4.8
171.11636	3.9
175.11209	3.7
178.07867	3.7
179.08409	2.3
179.10672	4.0
181.10149	6.5
185.13367	3.0
189.05501	6.3
189.09157	6.7
191.08530	3.5
191.48383	2.8
193.12161	3.4
194.04221	3.0
194.07121	2.4
203.17976	7.8
217.08621	20.9
231.17442	9.9
237.09099	5.1
249.18509	8.6
267.10254	17.4
277.08722	3.4
277.18015	39.8
286.09592	3.4
295.06454	16.5
295.09787	11.8
295.13333	41.8
295.16629	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1695
Annotation	Radulanin B
Peak:m/z	Relative Intensity
53.03943	1.2
55.01869	0.4
55.05515	1.0
55.40752	0.4
56.96563	0.6
57.07071	1.0
58.88508	0.4
65.03941	0.6
66.04762	0.3
67.05502	1.9
69.07074	2.7
71.04997	0.5
71.58313	0.5
77.03886	0.5
79.05495	7.1
80.72346	0.3
81.03410	0.4
81.07059	1.5
89.70215	0.3
90.32717	0.3
91.05486	22.7
93.07048	1.2
95.04979	1.6
95.08602	1.0
100.20406	0.4
102.81114	0.3
103.05473	5.4
105.07037	100.0
106.07333	0.7
107.04975	0.5
107.08603	0.7
109.06540	0.4
109.10165	0.9
110.17017	0.3
115.05470	0.6
117.07015	1.8
119.04919	0.6
119.08585	1.3
121.06526	1.3
121.10117	0.5
123.04375	0.5
128.06235	0.9
129.06967	1.8
131.08583	1.2
132.05850	0.3
133.06508	1.1
133.10101	0.8
135.08072	0.8
135.11697	0.5
137.06004	1.1
141.06943	0.7
142.07802	1.0
143.08604	1.6
145.06540	0.6
145.10127	0.5
147.04431	1.4
147.08067	1.4
149.05959	2.2
149.09492	0.4
151.07591	0.5
153.06981	0.5
155.08568	0.7
157.10129	1.2
158.07260	0.6
159.08115	0.5
160.05228	0.5
161.05994	6.3
161.09654	0.9
162.06787	0.5
163.07581	0.5
165.06978	0.6
167.08574	0.7
170.07242	0.5
171.08063	2.8
171.11807	0.6
173.09599	1.2
174.06726	0.9
175.07561	5.0
175.11086	0.5
178.07800	0.5
179.08557	0.4
181.10149	0.8
185.09619	2.5
187.07544	0.5
188.08296	1.0
189.09102	5.1
191.10713	0.8
193.10115	0.5
199.14835	0.4
201.09114	0.8
202.09888	1.6
203.10678	7.2
204.11452	1.0
207.08167	0.3
207.11787	0.3
217.12274	3.8
221.09715	0.5
225.12791	2.4
227.10678	3.5
239.10661	1.1
241.12230	1.5
253.12270	2.0
263.14328	1.6
267.10947	0.5
267.13776	2.5
267.17429	0.7
295.06082	3.1
295.16940	46.2
296.17191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22661	0.2
53.03963	0.3
55.01870	0.3
55.05507	0.5
56.96554	0.4
57.04568	1.1
58.06589	0.2
58.58922	0.2
67.05495	0.2
69.03437	1.3
69.07075	0.4
70.06586	0.6
71.04985	0.3
71.57317	0.3
72.08151	0.8
73.02919	0.3
75.40958	0.2
79.04224	0.2
79.05499	0.4
81.03427	1.2
81.07053	0.5
82.04045	0.2
84.04501	0.5
84.08147	0.5
85.02906	2.4
86.09708	0.6
87.08117	0.2
88.03996	0.6
91.05468	0.6
93.07034	0.5
94.04062	3.2
94.06602	1.0
95.04983	0.4
95.08653	0.3
96.05616	0.5
96.08118	0.2
97.02900	0.9
98.97572	0.5
99.04454	0.4
102.05558	0.4
103.05436	0.3
104.03504	0.3
105.03427	0.3
105.07014	0.6
107.04932	0.3
107.08591	0.3
108.04359	0.5
109.02902	0.5
109.05176	0.4
109.06490	0.3
112.05121	0.3
115.05475	0.3
117.07002	0.3
119.03545	0.4
119.08595	0.4
120.04453	0.3
120.08095	1.5
121.02876	0.4
121.05157	0.2
121.06487	0.3
121.10186	0.3
123.06684	2.0
124.07626	0.5
127.03931	0.4
131.04929	0.3
133.05098	1.1
135.04434	0.3
135.05382	0.3
136.07593	0.7
137.05980	0.3
138.69591	0.2
145.04997	0.5
145.06577	0.3
146.06006	1.9
148.06190	0.4
149.06009	0.2
150.07764	100.0
151.03845	0.3
151.07460	0.4
152.92056	0.2
157.10324	0.2
161.05984	0.4
163.03917	1.0
163.07533	0.4
164.07115	0.3
166.08704	0.4
174.04080	0.4
174.05569	0.6
175.07582	0.4
176.05710	0.4
177.05537	0.2
181.05092	0.3
189.05461	0.3
202.03432	0.3
205.08528	0.3
218.05673	0.6
223.09041	0.2
231.10172	0.3
233.62617	0.2
245.12859	0.3
246.05183	0.3
260.12744	0.2
277.09415	0.7
277.15509	0.3
295.06094	0.5
295.11456	2.3
295.16440	2.1
301.83652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
50.98547	0.3
55.01884	0.3
55.05508	0.8
56.15774	0.3
56.96560	0.6
57.07076	1.6
59.97550	0.3
65.03929	0.5
67.05503	1.2
69.07060	1.1
69.82982	0.8
69.83372	0.7
71.08638	1.1
79.05502	1.6
81.07056	1.9
82.07401	0.4
83.08611	0.6
91.05483	3.5
93.07060	0.5
94.04167	2.4
95.08579	0.7
97.06517	0.4
97.66743	0.3
98.20753	0.7
105.07017	0.8
106.07350	0.4
107.04992	0.6
107.08586	1.0
108.08926	0.5
109.06503	0.5
109.10156	0.5
116.98636	0.4
119.08576	0.7
122.03656	7.6
123.11674	0.4
133.10175	0.7
137.05983	100.0
138.06331	0.5
141.12727	2.7
145.10130	0.5
158.15378	1.6
161.09607	0.4
177.12842	0.4
276.20419	1.8
294.20883	2.3
295.05997	2.0
295.09583	0.4
303.08649	0.7
303.58966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.207
Annotation	NONIVAMIDE
Peak:m/z	Relative Intensity
51.02377	0.5
53.03933	0.5
55.05509	0.6
56.96553	0.9
57.07068	0.8
67.05498	1.2
69.07056	0.7
69.72878	1.5
71.08604	0.4
79.05499	1.5
81.07052	2.8
83.08614	0.3
91.05474	1.4
92.05830	0.4
93.07041	0.8
94.04186	2.5
95.08617	0.8
97.06523	0.3
98.21492	0.5
105.07040	0.7
107.04967	0.3
107.08597	0.7
108.08920	0.5
109.06523	0.8
109.10146	0.3
110.10494	0.3
119.08535	0.5
121.10149	0.3
122.03657	7.1
122.10555	0.3
123.11723	1.8
131.08662	0.2
132.08846	0.3
134.10449	0.3
135.11690	0.3
137.05980	100.0
138.06322	0.5
158.15407	1.6
159.11606	0.3
170.15398	1.5
190.03723	0.3
238.11400	0.4
276.20425	1.2
294.21185	0.9
295.05780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2841
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03952	1.8
55.01868	1.2
55.05513	15.1
56.96572	2.7
57.07076	8.4
57.07339	0.9
59.04994	0.9
65.03942	1.3
67.05509	34.3
69.07072	30.1
69.07457	1.1
69.98285	2.0
71.04998	1.0
71.08639	3.8
79.05495	11.7
81.07062	100.0
83.04976	0.8
83.08620	16.7
83.09113	1.1
84.68732	0.6
85.06548	6.7
85.10188	0.9
91.05489	3.4
93.07050	14.5
95.04996	1.7
95.08613	95.5
97.06539	1.7
97.10171	10.7
98.20882	0.6
98.97572	2.7
99.08118	4.0
105.07036	3.6
107.08595	12.0
108.39747	0.5
109.06519	0.8
109.10161	53.8
111.08079	1.0
111.11716	5.0
113.09616	1.5
114.18412	0.6
116.98618	1.3
119.08590	2.1
121.10154	8.8
123.08051	1.0
123.11713	25.5
125.09629	1.1
125.13273	2.0
131.08546	0.9
133.10155	2.1
135.11690	7.0
137.13261	10.1
139.11244	0.8
145.10164	0.9
147.11734	1.2
149.09645	1.3
149.13271	8.5
149.28056	0.6
151.11198	1.6
151.14822	7.6
153.12837	0.7
159.11707	0.9
163.11317	0.6
163.14819	4.4
165.16386	2.8
177.16367	2.0
179.17934	1.2
191.17899	0.7
193.19562	1.2
205.19453	1.7
217.80630	0.7
219.21068	1.9
223.20535	0.7
263.74548	0.6
269.05270	0.7
275.20059	2.6
275.27371	3.4
293.17752	0.7
293.21106	2.7
293.24966	0.7
293.28345	13.8
311.06497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2842
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03953	2.0
55.01882	2.1
55.05515	23.6
55.05756	0.9
55.06540	0.7
56.96582	4.3
57.03447	2.5
57.07079	9.2
59.05019	1.4
65.03941	2.0
67.05511	45.1
69.03430	3.6
69.07072	42.7
70.06567	0.7
71.04990	3.8
71.08627	3.1
73.06553	0.8
79.05497	16.1
81.03430	2.2
81.07063	100.0
82.07410	0.9
83.04983	3.1
83.08624	21.3
84.96032	1.2
85.02909	1.4
85.06548	10.3
85.10204	1.4
91.05492	10.0
93.07052	21.7
95.04969	4.6
95.08612	90.4
97.02917	1.3
97.06530	6.1
97.10177	12.3
98.21470	2.2
98.97591	6.5
99.04456	1.2
99.08097	4.6
101.06066	0.9
103.05457	1.4
105.07037	8.4
107.08599	21.2
107.09290	1.4
108.08939	0.9
109.06542	3.5
109.10165	56.8
110.10492	1.3
111.04495	0.7
111.08089	3.9
111.11725	6.0
113.06051	0.9
113.09615	1.8
116.06251	0.8
116.98640	4.6
117.07003	2.6
119.08575	6.0
121.06515	1.6
121.10152	13.7
123.04433	0.7
123.08097	4.5
123.11720	29.3
125.06015	1.4
125.09644	3.4
125.13254	2.6
127.11199	1.0
128.06197	0.7
129.06984	1.3
131.00182	0.8
131.04907	3.1
131.08565	4.0
133.10147	5.3
134.99677	1.2
135.08070	2.2
135.11711	12.8
137.05978	2.1
137.09636	2.4
137.12262	1.1
137.13255	10.1
139.03925	1.4
139.11189	1.8
141.05495	0.8
141.06946	0.8
143.08559	2.1
145.10129	3.5
147.04449	1.0
147.11703	4.0
149.01233	0.7
149.02344	1.1
149.09657	3.3
149.13264	9.9
150.13675	0.7
151.03928	0.7
151.11182	1.8
151.14833	7.0
153.09090	0.7
153.12741	2.5
155.08496	0.9
157.10121	1.7
159.11700	2.9
161.01222	1.3
161.06055	0.9
161.09558	1.0
161.13246	2.2
163.11197	1.9
163.14845	5.7
165.12762	1.5
165.16443	3.3
169.10075	0.9
169.15756	0.6
171.11699	1.1
173.09557	1.3
173.13225	2.0
175.11075	0.9
175.14848	0.9
177.00693	2.1
177.09081	1.2
177.12749	0.8
177.16336	2.1
179.08479	1.0
179.10710	0.8
179.17873	1.5
185.13319	0.8
187.11115	0.8
187.14818	1.6
189.12756	0.7
191.02087	0.6
191.14307	1.3
191.17934	1.5
193.12057	3.0
193.19603	1.2
195.11629	1.3
197.13275	0.8
199.14815	0.8
201.12675	1.2
201.16370	0.7
205.15807	1.1
205.19594	1.4
215.14307	2.1
215.17973	1.1
216.10114	1.1
217.12012	1.8
217.16074	0.7
219.13884	1.0
219.17529	0.7
219.21048	1.7
221.13284	0.7
223.20471	1.1
225.04436	0.7
229.15822	0.9
233.15288	1.2
237.02711	0.8
239.17926	0.8
243.13597	0.7
247.16911	0.8
247.20480	0.8
257.15308	1.1
257.19086	1.2
261.14764	3.5
265.08661	0.8
269.05493	1.3
275.13278	0.7
275.16409	1.9
275.20023	10.5
275.23383	1.3
275.27261	3.7
293.08063	1.9
293.11615	0.9
293.17184	12.3
293.21112	6.8
293.24881	1.0
293.28308	17.1
311.06601	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	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03936	1.4
53.12420	0.7
55.01864	0.8
55.05507	7.5
55.52461	0.6
55.84933	0.9
57.07059	2.2
59.53049	0.7
65.03930	2.6
67.05508	86.8
69.03400	0.8
69.07074	9.1
71.00162	1.2
71.00493	1.0
79.05504	14.4
81.07060	100.0
83.04948	1.2
83.08626	5.0
85.06564	1.9
91.05488	6.9
93.06487	0.9
93.07045	12.3
95.04963	1.0
95.08611	77.1
97.06539	1.8
97.10165	3.5
99.08066	1.2
105.07034	5.4
107.08591	8.6
109.06543	0.8
109.10162	42.2
111.08105	1.3
117.07036	2.2
118.95815	0.7
119.08582	4.7
121.10133	8.8
123.08052	1.7
123.10813	1.4
123.11712	29.5
125.06081	0.8
129.06921	0.8
131.08586	5.0
133.10149	5.2
135.08003	0.8
135.11681	6.9
136.84442	0.7
137.06783	0.8
137.09628	1.8
137.13260	11.1
139.11145	1.0
143.70175	0.8
145.10106	4.6
147.11687	3.8
149.09583	1.6
149.13313	3.8
151.11174	1.9
151.14862	3.8
159.11696	3.5
161.13274	1.6
163.11192	2.2
163.14790	2.4
165.12857	1.1
165.16472	1.4
173.13319	3.8
177.12762	1.9
177.16386	2.4
179.14276	1.9
187.14780	3.8
191.14342	2.2
201.16412	1.1
205.15823	1.4
205.60806	0.7
209.11827	0.9
209.15346	0.9
219.21060	1.2
223.16814	0.9
237.18517	1.5
243.21062	5.7
261.22177	8.4
270.40845	0.8
293.21640	1.5
293.24799	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	293.2112
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.02344	1.6
53.03939	7.0
55.01872	7.9
55.05513	24.7
56.96561	11.2
57.03424	5.3
57.07082	9.6
59.04999	2.8
65.03931	3.7
66.44070	1.7
67.05170	3.6
67.05505	48.4
69.03425	2.3
69.07069	38.5
71.05003	7.9
71.12824	3.4
71.56842	1.6
79.05496	41.0
79.32979	1.6
81.03400	4.7
81.07057	100.0
83.04992	9.2
83.08620	13.6
85.06528	5.9
91.05482	39.5
93.07043	34.1
95.04980	18.1
95.08611	43.9
97.06547	8.4
97.10183	8.6
98.97585	10.3
99.08064	2.8
105.07032	37.9
107.04953	7.1
107.08599	33.2
109.06537	22.0
109.10162	26.1
111.08086	5.7
115.05462	2.8
115.07564	3.2
116.98616	7.9
117.07008	7.8
119.08573	36.9
121.06513	5.6
121.10138	21.6
123.08051	12.4
123.11698	9.7
125.05991	2.2
125.09598	5.2
128.06155	1.9
129.06992	3.0
131.08574	13.9
133.06474	2.8
133.10126	25.1
135.08028	5.8
135.11731	9.5
136.14613	1.7
137.09647	9.7
137.13208	2.8
140.98604	2.2
143.08521	4.6
145.06465	2.1
145.10139	10.4
147.08000	3.3
147.11682	15.3
149.02321	2.4
149.09567	10.7
149.13219	6.7
151.11189	7.9
155.08536	3.2
157.10080	3.9
159.08023	2.3
159.11679	10.1
161.09669	2.6
161.13237	4.9
163.11212	7.4
163.14856	2.7
165.06999	1.9
165.09180	1.7
165.12750	2.2
167.08644	1.6
169.10197	2.7
171.11647	3.3
172.95377	2.0
173.09656	3.2
173.13274	5.6
175.11168	3.6
175.14757	1.6
177.12727	3.3
179.08450	2.1
183.11635	3.6
187.14941	2.3
190.07764	2.1
191.08600	3.2
197.07326	5.7
197.13184	2.1
201.12726	2.0
202.84186	1.9
215.14291	1.9
215.18022	2.2
216.16103	1.7
219.08060	3.0
229.19615	2.8
233.15413	2.4
239.18010	4.1
247.20604	5.0
250.06306	2.9
251.04509	3.4
257.18942	5.8
269.05331	3.4
275.20071	51.3
293.05518	3.0
293.08029	17.2
293.11572	6.2
293.14801	3.2
293.21066	37.1
293.28262	3.4
294.71008	1.8
311.06485	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.47005	2.0
53.03953	5.5
54.16936	2.0
55.01878	9.7
55.05513	29.8
56.96558	11.7
57.03437	11.7
57.07077	5.5
67.05163	3.0
67.05505	45.1
69.03410	6.6
69.07077	30.8
71.04996	10.0
71.08620	2.1
71.09209	5.7
79.05058	3.3
79.05498	51.2
81.03416	8.7
81.07062	100.0
83.04963	9.0
83.08617	14.2
85.06532	4.5
91.05486	45.4
93.07047	45.2
95.04979	20.4
95.08043	3.4
95.08610	41.1
97.06540	13.2
97.10157	8.9
98.97566	6.6
99.08073	3.6
100.77854	1.9
105.06378	3.1
105.07039	41.6
107.04969	8.6
107.07952	3.4
107.08605	37.9
109.06528	25.1
109.10168	19.8
111.08089	9.7
116.98643	3.7
117.06997	13.6
117.16953	2.8
119.08581	37.8
121.06483	7.4
121.10136	25.2
123.08073	17.3
123.11699	7.8
125.09631	7.2
129.06984	5.7
131.08568	18.7
133.10130	23.5
135.08034	10.8
135.11685	9.3
137.05984	8.1
137.09628	10.3
139.11159	5.6
141.06943	3.1
143.08575	5.0
145.10120	16.2
147.11716	20.9
149.09663	16.2
149.13237	4.7
151.11147	4.2
155.08456	2.2
157.10101	3.3
159.11703	13.1
161.09566	2.4
161.13278	7.0
163.11215	11.4
165.12778	3.8
169.10123	2.2
171.11646	3.7
173.13271	7.0
175.11067	4.5
175.14838	3.3
177.12720	6.6
185.13269	3.1
187.14873	5.7
191.14381	4.0
203.12714	4.1
205.15894	2.8
215.14183	2.8
217.38010	2.3
219.17468	6.7
229.19461	3.4
239.17979	5.9
247.20540	6.4
257.18967	8.4
269.05530	2.5
275.20071	78.5
293.08023	7.1
293.11597	4.9
293.15140	3.0
293.21121	47.9
311.06760	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03938	4.3
55.01880	9.6
55.05264	2.1
55.05514	29.6
57.03423	2.4
57.07069	2.2
59.04984	2.2
65.03919	1.6
67.05505	25.5
69.03436	3.2
69.07069	11.5
70.56601	5.0
71.04993	2.7
79.05495	52.5
81.03403	4.3
81.07060	28.4
83.04983	4.6
83.08620	14.6
84.87630	1.5
85.06525	2.1
91.05476	33.1
93.07053	28.1
95.04954	4.7
95.08610	19.1
97.06541	10.9
97.10175	19.6
98.97585	1.8
105.07035	34.1
107.04958	8.4
107.08601	100.0
109.06521	5.7
109.10176	10.9
111.08056	3.8
113.47733	1.4
117.07011	8.2
119.06174	1.6
119.08579	19.0
121.06509	2.1
121.10156	12.2
123.08080	3.5
123.11703	2.4
125.09633	22.7
127.56183	1.4
131.08577	9.1
133.10144	23.2
135.08014	5.1
135.11676	7.1
139.11121	1.4
145.10112	14.4
147.11664	11.3
149.09634	15.1
151.11214	3.2
153.09056	2.0
157.10158	2.6
159.11732	8.1
161.09651	2.3
161.13309	5.0
163.11192	4.7
165.09126	4.1
169.10045	2.0
171.10231	1.5
171.11749	2.7
173.11812	1.8
173.13223	3.4
175.14748	1.9
181.72099	1.5
183.11864	1.8
189.11223	13.0
197.13242	1.9
201.12723	1.8
215.17802	1.9
229.19476	1.8
239.17984	5.1
247.20552	1.8
257.18939	8.5
275.20084	80.2
293.15451	2.4
293.21149	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	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.02367	2.2
52.44394	2.0
53.03953	5.4
55.01868	12.4
55.05515	66.1
59.05008	2.5
65.03924	2.1
67.05511	46.1
69.03433	4.6
69.07070	13.8
69.79739	4.6
69.80157	8.0
71.05000	5.0
77.11769	1.9
79.05496	100.0
81.03441	3.6
81.07057	38.7
83.04970	14.6
83.08623	22.6
85.06503	2.4
91.05483	31.8
93.06468	2.7
93.07051	46.6
95.04971	6.6
95.08616	16.3
97.06526	3.0
97.10178	32.2
105.07043	35.0
107.04244	1.3
107.04958	46.5
107.08604	75.3
109.06499	5.3
109.10168	19.8
111.08054	4.8
117.07040	10.2
119.08588	26.2
121.06498	4.8
121.10135	22.4
123.11729	7.5
125.09646	35.1
131.08546	11.1
133.10136	23.5
135.08041	12.0
135.11708	5.8
137.09586	3.3
145.10139	10.6
147.11693	15.2
149.09628	100.0
153.09131	6.9
155.10631	2.1
159.11697	9.6
161.13246	6.7
169.12277	5.6
171.10190	7.0
173.11772	5.4
173.13235	4.7
187.11189	3.1
187.13235	2.8
187.14856	2.5
188.61511	2.0
189.11203	26.4
189.12711	2.7
197.13286	2.3
209.15364	3.8
229.19472	9.0
247.20653	3.2
257.19022	24.1
275.20090	99.1
275.23126	4.7
293.21127	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	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.38785	1.6
55.01870	3.9
55.05516	12.2
57.03414	1.8
57.03915	1.4
57.07073	2.0
57.56277	1.3
67.05513	24.8
69.07072	23.8
69.10245	1.3
69.97302	5.1
69.97718	2.8
71.04995	2.1
79.05502	18.4
81.03433	1.3
81.07065	33.7
83.04983	7.4
83.08614	5.3
91.05483	19.8
93.07056	21.7
95.04993	7.7
95.08611	18.7
97.06544	3.8
97.10166	2.7
98.97585	3.2
105.07045	24.4
107.04967	5.5
107.08609	13.3
109.06541	10.8
109.10170	10.5
111.08114	2.5
117.07055	7.7
119.08585	13.7
121.06466	7.7
121.10156	9.7
123.08070	6.5
123.11739	2.9
125.09641	1.7
129.06975	2.1
130.07819	1.7
131.08585	14.4
133.06508	3.2
133.10149	13.5
135.08054	4.1
135.11702	3.7
137.09662	2.6
143.08586	1.8
145.06482	1.4
145.10147	11.2
147.08047	2.5
147.11737	11.5
149.09618	4.6
149.13283	2.1
151.11159	7.0
155.08488	1.6
157.10161	4.1
159.08115	2.3
159.11699	8.7
161.09663	2.7
163.11241	4.6
169.10176	1.7
171.11804	1.6
173.09686	2.6
173.13271	4.0
175.11253	1.4
177.12778	1.5
183.11699	1.7
187.11230	2.7
191.14389	3.6
201.12909	2.3
201.77885	1.5
203.14479	1.5
207.13838	3.1
208.39551	1.4
217.17767	1.6
219.13831	4.7
222.71611	1.6
229.19576	2.2
231.17427	2.2
239.17976	4.3
247.20583	2.5
257.19037	16.4
275.20078	100.0
293.08240	2.1
293.11652	2.2
293.21127	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03937	7.6
55.01871	11.9
55.05515	50.4
56.96566	11.3
57.03430	8.5
57.07077	9.4
57.56269	2.7
65.03934	3.8
67.05507	79.6
69.03422	9.1
69.07073	35.2
71.04982	5.9
71.08635	6.2
71.58150	4.2
73.06568	3.9
77.19871	2.7
78.48566	2.8
79.05053	6.5
79.05501	100.0
81.03419	8.1
81.07059	95.6
81.07444	2.4
83.04975	7.2
83.08627	29.8
84.96033	3.8
85.06533	10.0
91.05482	64.8
91.06009	5.3
93.07053	94.6
95.04996	16.9
95.08611	71.3
97.06532	11.4
97.10177	17.8
98.97610	14.7
99.08102	8.2
101.06030	3.6
103.05496	4.7
105.07035	80.3
107.04967	10.6
107.08599	87.5
108.54214	2.8
109.06518	15.4
109.10160	36.7
111.06137	3.0
111.08092	7.0
113.36932	2.8
115.05459	3.8
116.98598	6.4
117.07016	12.1
119.08590	52.3
121.06519	7.6
121.10142	41.9
123.08090	10.3
123.11755	14.2
125.09634	22.7
126.57146	2.8
129.07016	7.4
131.08549	22.4
133.10139	48.9
134.99641	5.6
135.08051	5.7
135.11702	43.0
137.09628	11.8
137.13303	3.3
139.11153	5.2
143.00198	5.0
143.08594	5.1
145.10144	27.0
147.08044	5.0
147.11691	39.3
149.02390	6.3
149.09618	15.8
149.13251	18.4
151.11195	6.5
155.08568	5.9
157.10104	5.9
159.11739	18.0
161.13261	15.7
163.11145	7.8
165.06993	3.5
165.12785	4.4
169.10107	3.8
171.11725	6.2
173.13326	10.7
175.07639	3.9
175.14847	6.3
177.12733	3.9
181.12239	5.1
183.11720	7.8
185.13284	5.0
187.07732	3.5
187.14777	7.4
189.11171	7.8
189.12785	4.5
193.12363	3.6
215.17937	9.6
219.13925	3.3
219.17548	5.1
229.15965	3.7
229.19464	5.7
231.21066	5.1
239.17958	10.2
247.20512	4.8
247.55763	4.0
257.19128	12.0
269.05453	8.2
275.20114	90.0
279.87634	3.1
292.16583	2.9
293.08276	5.2
293.11600	6.7
293.15289	6.0
293.21106	42.7
293.28149	5.5
311.06570	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	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03952	2.6
55.01865	4.2
55.05514	12.2
56.96566	4.8
57.03443	15.9
57.07066	5.4
59.05006	1.7
67.05508	23.8
69.07070	8.7
70.11986	7.9
71.04984	2.6
79.05500	18.6
81.07062	27.2
83.04980	2.6
83.08613	5.3
85.06540	4.3
91.04961	2.8
91.05486	30.2
93.07047	23.6
95.04970	5.5
95.08607	22.5
97.06533	4.7
97.10184	3.4
98.21400	1.8
98.97596	4.9
99.04438	2.5
100.27882	1.6
105.07043	21.7
107.04977	4.6
107.08595	14.6
109.05856	1.5
109.06535	6.8
109.10165	5.9
111.08091	2.8
116.98651	1.7
117.07010	8.3
119.08575	18.3
121.06551	3.3
121.10149	8.7
123.08096	4.2
123.11707	2.0
125.09596	2.3
129.06996	3.7
131.08546	13.8
133.10139	8.6
135.07993	2.8
135.11676	5.2
137.09659	7.4
139.11157	1.7
143.08549	3.6
145.10106	9.4
147.11681	5.5
149.09631	6.1
149.13275	1.9
157.10097	1.9
159.11691	7.8
161.13312	3.5
161.28290	1.5
171.11743	1.7
173.13301	3.0
183.11607	1.8
185.13239	4.7
191.10695	2.1
197.13152	1.9
199.67940	1.4
201.16342	4.5
203.07101	2.2
203.14334	2.7
209.11708	2.2
210.97935	1.7
215.06984	2.1
219.17447	100.0
223.11218	2.0
237.11316	5.2
239.18130	2.0
257.18991	5.5
275.20074	18.1
293.08191	3.1
293.11575	6.1
293.14920	3.1
293.20862	7.4
311.06476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03948	7.0
55.01873	20.3
55.05519	45.0
56.96559	3.5
57.03437	5.0
57.07088	7.2
67.05508	43.8
69.07075	25.8
70.17621	10.8
71.04980	4.0
79.05500	62.4
81.03426	9.8
81.07059	49.0
83.04964	7.0
83.08628	15.9
84.40881	2.8
87.09756	2.6
90.93673	2.8
91.05490	33.5
93.07056	33.1
95.04974	19.4
95.08621	27.7
97.06549	24.7
97.10192	17.6
98.97600	4.3
105.07047	41.0
107.04966	15.4
107.08601	85.6
109.06526	10.9
109.10164	15.8
111.04422	3.1
111.08054	4.8
116.98653	2.8
117.07026	12.5
119.08584	28.2
121.06490	4.5
121.10136	18.3
123.08047	6.4
123.11697	5.1
125.09634	17.0
129.06987	3.6
131.08592	18.8
133.10127	24.7
135.07991	6.3
135.11714	7.7
137.06000	13.9
137.09627	8.6
145.10118	16.8
147.07985	4.1
147.11674	17.7
149.09616	22.0
149.13268	3.6
151.11287	6.4
157.10037	3.0
159.11687	11.1
161.09686	3.3
161.13226	6.3
162.85469	3.2
163.11186	7.1
165.09114	6.1
171.11659	2.9
173.13243	4.8
175.11226	3.7
179.14282	3.5
181.04955	3.8
183.89378	2.7
187.11263	5.6
189.11227	11.1
191.10730	4.2
196.60233	3.0
204.19041	2.8
209.11787	6.5
223.13342	7.2
229.19612	5.9
237.11258	10.2
239.17941	3.7
247.20633	6.0
257.19049	15.3
259.83957	3.4
273.56570	3.1
275.20062	100.0
293.21118	33.2
305.54535	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03940	4.2
54.26799	2.3
55.01870	7.7
55.05515	19.9
56.96553	2.3
57.03450	17.9
60.08311	2.4
67.05511	32.0
69.07064	17.0
69.88354	13.2
71.04984	3.7
79.05497	46.0
81.03406	2.8
81.07063	34.6
83.08608	11.5
85.06547	4.2
91.05481	35.2
93.07050	50.8
95.04967	10.1
95.08614	32.0
97.06532	11.0
97.10164	6.4
98.20728	3.5
99.08067	3.3
105.07034	42.2
107.04945	6.7
107.08597	44.8
109.06524	13.1
109.10155	11.6
109.44840	2.3
111.08087	3.3
117.06989	12.9
119.08578	29.2
121.10143	20.4
123.08093	6.5
123.11713	2.4
123.82448	2.1
125.09631	7.8
129.07004	4.3
131.08563	20.3
133.10133	28.6
135.08011	2.8
135.11705	11.6
137.09627	3.7
143.08571	5.6
145.10155	16.1
145.11156	2.0
147.08043	2.6
147.11668	22.4
149.09630	12.2
149.13225	3.8
151.11172	5.3
157.10147	4.2
159.11679	20.1
161.13257	9.0
163.11206	7.3
165.09091	5.4
171.11694	4.7
173.13239	7.0
175.11261	2.7
175.14859	4.5
177.12712	3.6
179.98706	2.4
183.11757	3.3
185.13263	18.2
189.11255	2.8
195.07950	3.2
197.13271	3.2
201.16429	8.5
203.14207	13.9
215.17882	3.6
219.08049	6.2
219.17441	53.0
221.05969	4.4
221.15335	21.4
222.06755	8.5
223.07503	3.0
229.19461	4.7
235.07478	9.6
237.08884	2.8
239.17973	8.4
241.50586	2.3
247.07451	3.3
248.08310	3.8
249.05455	3.2
249.09029	9.2
250.06245	17.9
250.09904	3.6
251.06799	2.7
257.18954	18.8
262.09738	3.3
263.07153	13.2
263.10251	2.2
264.07828	17.1
265.08633	8.8
275.20078	100.0
277.08609	14.2
278.09308	14.0
278.12402	2.2
293.08081	77.1
293.11700	56.7
293.15274	9.6
293.21005	16.9
309.15771	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.93569	2.1
53.03953	5.9
55.01864	7.3
55.05516	26.2
57.03423	2.4
57.07052	2.7
59.04982	2.3
67.05179	2.5
67.05510	43.9
69.07067	18.2
69.85531	11.9
71.04993	4.6
71.17245	2.5
79.05057	3.8
79.05493	54.3
79.64131	2.4
81.03391	7.9
81.07057	79.5
83.04964	9.1
83.08618	15.1
85.06541	3.0
91.05479	35.3
93.07041	33.4
95.04978	16.5
95.08609	29.6
97.06563	13.5
97.10155	8.7
102.53554	2.3
105.07041	31.2
107.04945	9.9
107.08596	34.9
109.06506	15.7
109.10156	13.7
111.08047	3.1
111.34786	2.5
117.07043	12.5
119.08589	24.0
121.06489	8.4
121.10165	21.2
123.08038	10.2
123.11695	9.7
125.09627	10.6
129.07007	3.7
131.08569	13.4
133.06520	3.6
133.10143	23.2
135.08029	6.2
135.11684	10.1
137.09612	7.4
139.11163	2.4
143.08516	4.0
145.10107	16.2
147.11711	19.9
149.09631	15.1
149.13283	4.0
151.11192	8.7
157.10106	6.6
159.11659	9.9
161.09741	2.5
161.13300	5.0
163.11147	12.1
163.14819	3.4
165.09123	3.5
165.12779	2.5
171.11656	2.7
173.13278	6.9
175.11136	3.4
177.12679	4.2
183.11703	2.9
187.11163	5.3
189.11208	5.9
195.86786	2.2
219.13785	2.8
229.19560	4.9
239.18005	6.9
247.20543	7.8
257.18958	14.5
275.20071	100.0
285.59155	2.7
293.21100	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02367	1.4
53.03946	3.9
55.01876	12.8
55.05265	1.7
55.05514	21.8
57.03432	2.2
57.07069	4.2
59.04992	2.1
59.53233	1.6
64.00009	1.2
65.03951	2.2
67.05505	33.5
69.03432	3.2
69.07071	20.4
71.04955	1.7
71.47606	1.8
79.05058	2.3
79.05495	37.8
81.03403	6.7
81.07058	43.8
83.04987	5.6
83.08626	10.0
84.98921	1.5
85.06519	2.8
91.05470	25.7
93.07050	30.4
94.39291	1.3
95.04985	12.9
95.08602	26.0
97.06541	13.4
97.10177	10.4
97.64729	1.2
98.97600	1.8
105.07034	30.0
107.04956	8.8
107.08596	51.8
109.06509	8.3
109.10162	16.5
111.08083	3.4
117.07030	8.7
118.71521	1.3
119.08585	18.2
121.06536	3.6
121.10150	10.6
123.08079	5.5
123.11723	6.8
125.09668	9.3
129.07043	1.6
131.08578	13.3
133.10138	17.1
135.08054	5.0
135.11688	8.4
137.09616	5.5
143.08585	2.2
145.06511	1.3
145.10143	10.5
147.11664	12.4
149.09624	15.4
149.13219	6.4
151.11226	7.8
153.09073	1.4
157.10129	2.9
159.11658	9.9
161.09653	1.8
161.13255	4.1
161.55252	1.3
163.11203	7.3
163.14856	2.3
165.09111	7.8
169.10065	1.5
171.11676	1.8
173.13283	4.5
175.11264	3.1
177.12804	3.1
187.11201	4.3
189.11279	6.1
205.12164	1.6
206.50879	1.2
229.19547	5.5
233.93979	1.3
239.17957	5.0
247.20657	8.4
257.19012	12.2
272.32458	1.5
275.20071	100.0
276.20468	2.4
293.21118	22.0
311.06293	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72930	2.9
56.96576	15.4
69.91782	15.5
74.45570	2.8
81.74814	2.9
84.96037	5.5
88.67957	2.9
90.13123	3.1
93.26918	2.9
98.20740	5.1
98.97585	47.1
110.97565	3.8
112.99178	3.6
113.86575	2.9
116.98612	12.1
124.99154	7.5
143.00159	5.8
233.03247	6.4
237.02803	3.8
251.04437	10.0
269.05429	27.9
287.06442	5.4
293.06281	100.0
302.32657	3.0
311.06497	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1386
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03944	1.3
55.01865	0.4
55.05515	31.6
56.96568	1.1
57.03423	0.7
57.07064	1.1
64.85279	0.3
65.03929	1.9
67.05219	0.4
67.05511	4.8
69.03421	1.1
69.07070	5.3
69.30970	1.1
69.31390	2.2
71.05015	0.4
71.08619	0.4
73.06563	8.6
79.05482	3.0
81.07063	10.2
83.04978	1.0
83.08628	2.2
85.02896	0.7
85.06548	1.4
88.03603	0.4
91.05483	4.2
91.07598	0.8
93.03429	0.7
93.07059	3.9
95.04974	0.7
95.08614	8.4
97.02914	0.8
97.06516	0.7
97.10166	1.1
98.97590	1.7
99.04480	0.5
99.08089	1.2
101.06052	1.7
101.06597	0.3
105.07020	3.2
107.08602	3.8
109.06521	1.2
109.10166	6.5
111.04436	0.6
111.08091	0.7
113.09661	0.4
115.05486	0.5
116.98654	0.6
117.07040	0.8
119.08581	2.3
121.02882	5.9
121.03897	0.7
121.06466	0.5
121.10144	3.3
123.04451	0.4
123.08032	0.5
123.11708	3.0
125.09642	1.3
127.11182	0.4
128.06219	0.7
129.07028	3.1
131.04936	0.5
131.08580	3.0
133.06511	0.5
133.10155	1.8
135.08037	0.6
135.11728	1.7
135.37254	0.4
137.13269	1.3
143.00102	0.4
143.04938	1.4
143.08577	0.7
145.10136	0.8
147.08025	0.7
147.11661	1.1
149.02351	100.0
149.09631	1.1
149.13300	1.2
150.02715	0.7
151.07559	0.4
151.14821	0.5
155.08559	0.4
157.06482	0.5
157.10149	0.4
159.11719	1.3
161.05980	4.6
163.14732	0.4
167.03409	0.8
171.11752	0.4
173.13336	0.5
175.07561	17.1
185.05962	0.7
187.14835	0.4
191.14287	0.3
194.30782	0.4
194.92256	0.3
197.13170	0.4
203.07048	20.6
208.05753	0.8
217.19550	0.4
221.08052	0.5
242.77829	0.3
257.19064	0.4
275.12985	2.6
275.16025	0.6
275.20087	1.8
289.07501	0.8
293.08319	0.5
293.13898	3.0
293.17285	4.6
293.21222	2.9
293.24881	0.5
293.28244	1.6
311.16916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12724	0.4
56.96569	32.5
57.03432	0.6
64.32210	0.5
69.03440	0.5
70.56974	1.0
70.57307	1.0
70.98143	2.7
71.95268	3.1
74.97609	0.8
81.03419	0.9
84.96040	16.2
85.02898	1.1
93.30844	0.5
97.02921	0.6
97.96799	4.9
98.97588	100.0
101.00896	0.9
102.97063	1.1
104.10758	5.3
105.11075	2.8
106.11166	1.5
110.97578	9.3
112.99126	4.2
115.97826	1.5
116.98628	33.2
123.98342	1.1
124.99125	10.5
127.00708	0.9
128.98608	5.3
131.00175	7.1
134.99669	6.7
136.99139	1.4
139.00690	2.0
140.00185	1.1
140.98593	4.3
141.99391	2.2
143.00172	18.7
143.01945	1.6
144.82758	0.6
144.98120	0.9
145.01668	1.0
146.99603	1.0
149.01236	2.1
152.98598	1.1
155.00162	4.0
155.97226	0.9
157.01723	5.8
158.99670	6.6
160.00330	0.8
161.01225	6.5
161.02980	1.5
170.99684	2.7
173.01233	8.3
173.98386	1.0
174.11230	0.9
175.02875	2.7
177.00732	3.7
182.99675	2.1
189.00739	1.4
191.02254	5.3
195.01826	0.7
196.02429	0.5
200.82973	0.5
201.00700	4.5
203.02226	0.8
207.01865	0.6
215.02252	1.4
219.01790	7.6
233.03299	7.4
237.02872	7.0
251.04416	19.5
261.11246	0.6
269.05466	38.5
275.04437	0.7
287.06543	6.0
293.02066	1.2
293.05441	32.4
311.06506	71.7
312.06845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44155	0.4
56.96568	32.0
61.02932	0.4
69.03426	1.5
69.51548	3.1
70.98123	3.1
71.95265	3.4
72.08147	0.6
73.02905	0.4
74.97610	1.3
84.96033	14.4
85.02923	1.0
86.97578	0.5
88.99150	0.5
97.02853	2.0
97.96799	6.3
98.97586	100.0
102.97069	1.0
110.97573	8.3
112.07639	0.6
112.99124	4.2
115.97832	1.1
116.98625	34.7
119.00120	0.4
123.98404	1.0
124.99120	10.2
127.00687	0.9
128.98601	5.0
129.10275	0.4
131.00172	5.4
134.99660	6.7
136.99088	1.5
139.00693	1.6
140.98595	3.6
141.98424	0.5
141.99356	2.2
142.99045	0.9
143.00165	17.8
143.29825	0.4
144.98079	0.5
145.01715	0.8
146.99643	0.8
148.03929	0.4
149.01234	1.6
152.98578	1.3
155.00159	4.3
155.97314	0.6
156.98018	0.6
157.01758	4.4
158.99648	7.3
159.51289	0.5
160.00432	1.5
161.01221	6.1
162.99046	0.5
166.01863	0.5
170.99664	1.7
172.97598	1.1
173.01213	6.9
175.02814	2.1
177.00749	4.3
182.99721	2.2
183.04172	0.8
189.00789	0.5
190.98663	0.8
191.02275	4.1
192.77750	0.4
195.55786	1.2
196.05904	1.0
199.99829	0.6
201.00732	2.9
203.02315	0.6
205.05508	1.0
215.02251	1.1
219.01770	7.4
233.03299	7.5
237.02837	5.0
251.04407	18.2
261.02637	0.5
269.05444	35.3
274.97641	1.9
275.04135	0.6
275.15994	0.5
287.06543	4.9
292.98486	0.9
293.05432	28.4
311.06494	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	292.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98666	0.9
56.96569	25.0
70.98106	1.0
71.54627	1.3
71.95264	2.9
84.96040	8.3
97.96806	3.6
98.97591	100.0
102.96954	1.2
110.97591	4.3
112.99147	2.4
115.97787	0.6
116.98628	37.1
119.01945	0.8
119.04826	0.6
123.98264	1.2
124.99141	6.3
127.00674	0.9
128.98619	2.7
131.00212	4.2
134.99655	7.6
139.00740	0.9
139.85378	0.7
140.98598	2.7
141.99426	1.8
143.00179	10.4
149.01237	1.2
155.00172	2.6
155.03145	0.7
155.97269	0.8
157.01750	3.3
158.99686	4.2
161.01216	4.2
172.94376	1.4
173.01230	6.0
175.02817	1.6
177.00806	3.2
182.99684	1.6
190.95447	1.0
191.02290	2.6
192.87994	1.0
201.00777	2.5
210.88956	1.7
215.02342	1.6
219.01772	4.8
228.89996	1.4
233.03314	5.2
237.02858	3.3
251.04419	12.8
252.90089	0.8
256.96521	4.0
257.96597	1.6
261.03058	1.0
266.96939	1.2
269.05469	22.8
269.08371	1.2
270.91052	5.6
274.97534	22.0
276.93478	0.8
287.06567	4.2
288.92117	6.2
292.98599	11.0
293.05447	19.3
293.08005	0.8
306.93317	1.2
311.06534	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	293.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51016	0.4
52.39898	0.4
56.96570	34.4
66.33124	0.4
69.03428	0.6
69.36497	3.8
70.98120	2.9
71.95269	3.4
74.64226	0.4
74.97629	1.1
81.03409	0.8
82.06588	0.4
83.02534	0.4
83.41558	0.4
84.08134	0.7
84.96040	18.0
85.02914	1.2
87.04523	0.4
97.02899	0.7
97.40667	0.4
97.96809	6.3
98.97589	100.0
101.00894	1.5
102.09155	0.5
102.97050	1.1
104.10746	5.2
105.11083	2.6
106.11253	1.3
110.97572	9.0
112.07580	0.6
112.99138	4.7
115.97845	1.2
116.98631	36.0
119.01906	1.4
123.98356	1.0
124.99123	11.1
126.96930	0.5
127.00708	1.1
128.98605	5.3
131.00180	8.3
131.01872	0.4
132.98112	0.7
134.99651	7.5
136.99130	1.7
139.00667	2.0
140.00229	1.0
140.98581	3.4
141.99406	2.9
143.00177	20.4
143.01935	1.6
144.98055	0.7
145.01730	0.6
145.03412	0.5
146.99664	1.6
149.01224	2.6
152.98593	1.4
155.00168	4.4
155.01372	0.5
155.01950	0.6
155.97327	0.7
156.98096	0.7
157.01704	5.2
157.03546	0.8
158.99670	7.0
160.00435	1.7
161.01227	7.9
161.02962	4.9
164.98537	0.5
165.99355	0.5
170.99644	1.9
173.01234	8.2
173.02821	0.8
173.98361	1.0
174.11205	1.0
175.02782	2.2
175.04315	0.9
177.00754	5.2
179.02263	0.7
182.99588	2.4
185.01282	0.6
189.00731	1.0
191.02309	5.8
193.03885	0.5
201.00739	3.9
203.02246	0.7
203.03990	1.5
209.03166	0.7
211.05153	0.5
215.02223	0.8
215.04071	0.5
219.01765	7.9
221.05075	0.6
233.03288	8.5
237.02867	5.6
251.04404	23.0
261.02951	0.6
261.14551	0.5
269.05457	44.5
275.04169	0.6
279.03876	0.6
281.74124	0.4
287.06519	6.6
292.06976	0.6
293.05426	35.4
293.17303	1.5
311.06503	79.7
312.06839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06447	0.4
55.01873	4.5
55.05513	0.4
56.05035	0.6
56.96552	0.9
57.03436	0.9
61.02921	1.8
67.05515	1.9
69.03431	4.4
69.07075	7.7
70.06590	0.5
70.69431	0.8
70.69761	0.5
71.04996	0.7
73.02927	0.6
77.93401	0.4
81.03423	1.2
82.59801	0.4
83.04993	0.6
84.08144	4.7
84.49162	0.4
85.02907	7.4
85.06538	0.7
91.03973	0.9
95.04957	1.3
96.08114	0.5
97.02898	3.2
98.09708	0.5
98.97598	2.2
99.04454	0.5
102.09151	0.4
109.02905	0.9
112.02184	0.5
112.07614	42.8
125.59700	0.4
126.09154	0.7
127.03920	1.5
130.08650	100.0
131.08958	0.6
140.07120	0.5
142.08644	0.6
145.04987	0.6
154.08615	1.7
156.87314	0.4
172.09709	2.8
175.91798	0.4
210.58142	1.0
292.13885	1.3
292.17163	0.4
308.50375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01880	2.5
55.05509	1.1
56.05021	1.6
56.96570	7.1
57.03436	1.4
58.06601	0.9
60.33677	0.5
61.02917	1.3
67.05507	0.9
69.03423	4.1
69.06721	0.5
69.07072	6.4
70.06598	0.8
70.31929	1.8
71.04995	0.9
71.95222	0.5
72.08155	1.1
73.02920	1.3
81.03426	1.6
83.04984	1.0
84.04504	0.7
84.08147	4.8
84.96056	2.5
85.02911	7.8
85.06516	0.9
87.04469	0.8
95.04955	1.4
96.08141	0.6
96.31925	0.6
97.02911	3.5
97.06487	0.5
97.96821	0.5
98.09734	0.6
98.97590	20.1
99.04449	1.2
99.97920	0.7
101.05988	0.7
102.09168	1.9
109.02886	1.2
110.97569	2.2
112.07611	38.2
112.99129	1.0
113.06023	0.7
113.07979	0.6
116.98625	6.8
124.99137	1.2
126.09176	0.9
127.03928	2.0
128.98639	1.7
130.08649	100.0
131.00273	1.1
131.09024	0.6
134.99730	1.3
137.05945	0.8
140.98601	0.5
142.08629	0.7
143.00183	2.9
145.01793	0.6
145.04964	1.3
146.99620	0.5
147.03278	1.1
154.08623	1.2
155.04654	2.5
157.01680	0.8
158.99677	4.1
161.01263	1.2
164.05138	0.7
170.05186	0.9
172.09668	2.3
173.01292	0.9
175.02776	1.1
176.47910	0.5
177.00760	2.0
201.00687	0.6
204.12415	0.6
210.58096	5.5
211.07841	0.8
219.01718	2.3
227.06775	4.1
231.84755	0.5
233.03384	0.7
237.02838	2.5
251.04431	2.0
269.05551	3.5
287.06619	0.9
291.07446	0.6
291.60721	0.8
292.07709	0.7
292.14014	4.0
292.17178	0.9
293.05566	2.7
309.08554	2.4
310.08987	1.4
311.06519	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	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03941	2.6
55.00336	1.1
55.01861	2.7
55.05517	27.0
57.03426	1.5
57.07083	9.1
65.03933	1.7
67.05512	43.7
69.03429	5.1
69.06722	2.4
69.07076	38.3
69.31432	6.0
69.31863	5.0
71.04989	3.1
71.08628	2.1
79.05499	28.4
81.03410	3.3
81.07064	100.0
83.04988	2.0
83.08618	15.7
84.94530	1.1
85.06545	20.2
91.05484	15.3
93.03357	1.4
93.07054	49.8
95.04987	3.8
95.08617	87.3
97.06532	3.2
97.09604	1.5
97.10171	11.2
98.97580	1.8
99.08101	10.7
105.04542	1.6
105.07038	20.0
107.04945	1.8
107.08604	58.8
107.77723	1.2
109.06506	3.2
109.10168	50.3
111.08081	6.4
111.11728	5.6
113.09647	4.1
119.08588	18.6
121.06487	1.6
121.10155	38.9
123.04407	1.6
123.08079	2.5
123.11724	31.1
125.09628	5.0
127.11217	1.8
128.06209	2.0
129.07005	3.0
131.08606	6.2
133.10124	12.1
135.08063	2.8
135.11711	28.7
137.13289	7.8
139.03889	1.7
139.11165	4.4
145.10115	3.0
147.08008	2.2
147.11696	13.2
149.13274	46.0
151.14830	2.8
153.12743	2.4
157.06464	3.4
157.10146	2.3
159.11703	2.0
161.09619	2.1
161.13283	11.2
163.03934	2.8
163.14838	33.1
167.14265	1.5
171.11742	2.1
175.14807	6.0
177.09201	1.5
177.16391	14.2
181.15906	2.3
184.05016	1.3
185.05904	1.5
189.09109	2.7
189.12793	1.7
189.16458	2.5
191.10687	1.4
191.17961	6.3
195.17485	3.1
203.18044	5.7
205.19611	1.7
207.17432	1.4
209.18976	2.0
213.16504	1.6
217.19554	6.6
221.19077	3.1
235.20564	4.9
245.07883	6.5
255.17264	1.8
268.20740	1.4
273.07883	1.5
273.18533	4.6
273.25742	8.0
291.08401	3.2
291.10519	1.6
291.14288	2.0
291.19720	11.6
291.26828	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03952	2.3
55.01871	1.4
55.05261	1.5
55.05512	24.6
57.07076	8.1
59.04986	0.9
65.03921	1.0
67.05508	35.4
69.03434	1.6
69.07071	38.6
69.07449	1.9
69.40586	1.8
69.40990	6.3
70.03023	0.9
71.04995	1.7
71.08621	2.7
78.43682	0.9
79.05053	1.6
79.05496	22.7
81.07061	100.0
83.04949	1.0
83.08619	17.4
84.04486	1.1
85.06546	18.9
87.91794	0.7
91.05482	9.9
93.07050	46.1
95.04984	1.9
95.08611	81.9
97.06533	1.5
97.10180	10.7
98.97577	1.7
99.08099	14.8
105.07033	18.2
107.08598	61.7
109.06544	1.5
109.10164	49.6
111.08108	4.2
111.11711	4.7
113.09667	4.6
117.07003	1.6
119.08585	17.5
120.46985	0.8
121.06479	1.5
121.10146	41.8
123.08101	1.2
123.11713	28.0
125.09615	3.9
127.11227	2.0
130.06506	1.2
131.08594	1.3
132.84244	0.9
133.10146	11.2
135.11700	32.5
137.05951	1.1
137.13249	8.1
139.11191	2.3
145.10103	1.9
147.11713	9.1
149.07190	0.9
149.13266	55.0
151.11281	1.0
151.14813	2.8
153.12782	1.5
161.13264	10.8
163.14828	35.5
165.16391	1.1
167.14365	1.5
175.14873	5.5
177.16405	14.5
181.15887	2.9
185.13260	1.0
189.16397	3.2
191.17970	5.7
195.17444	2.1
203.17970	4.6
207.17485	1.2
209.18971	3.4
217.19525	6.1
221.18980	2.5
233.22644	1.1
235.20482	5.8
247.24203	1.3
259.11978	1.2
273.18491	1.0
273.25793	9.1
291.14401	2.0
291.19724	1.8
291.26828	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03950	1.9
55.01875	1.0
55.05268	1.4
55.05513	21.1
57.03429	1.8
57.07081	8.5
64.75488	1.0
67.05510	35.9
69.03421	2.2
69.07072	43.0
69.07449	2.1
69.32894	9.1
71.04977	2.4
71.08622	2.6
79.05064	1.5
79.05501	25.4
81.07063	100.0
83.04987	1.5
83.08201	1.2
83.08625	12.9
85.06059	2.0
85.06542	21.0
85.10134	0.9
91.05489	13.8
93.07053	51.7
95.04958	2.4
95.08614	75.7
97.06499	2.1
97.10183	9.7
98.97578	1.8
99.08090	13.2
105.07036	19.8
107.08599	59.1
109.06492	3.0
109.10163	53.6
109.10808	1.0
111.08069	4.2
111.11691	4.4
113.09644	4.1
117.06998	1.4
119.08584	17.1
121.06513	1.4
121.10150	44.3
121.11024	2.2
123.08074	1.6
123.11711	26.9
125.09645	4.6
129.07042	1.8
131.08553	2.9
133.10138	13.5
135.08025	1.2
135.11700	34.0
137.13266	9.8
139.11142	2.4
141.12698	1.1
145.10118	4.3
147.08127	1.5
147.11694	10.8
149.09673	1.4
149.13268	51.3
150.13628	1.1
151.11156	1.0
151.14793	3.2
153.12744	1.0
157.10210	1.0
159.11673	2.0
161.13277	10.0
163.11078	1.3
163.14832	32.3
165.16391	1.3
175.14883	4.6
177.16400	13.3
181.15807	2.5
189.00671	1.1
189.16380	3.8
191.17929	4.1
195.17436	3.1
203.08551	1.9
203.17952	4.1
209.19031	3.0
217.19518	5.8
221.19031	2.8
231.08104	2.9
231.21173	1.7
235.20560	4.1
245.08134	1.2
247.07465	1.2
248.08409	1.5
259.07495	2.2
260.08328	2.7
273.18524	1.2
273.25745	8.4
276.07901	1.6
291.10333	5.9
291.19980	4.8
291.23538	2.3
291.26819	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.05520	19.2
55.81594	1.5
57.07066	3.1
57.46763	1.2
58.47917	1.3
64.07100	1.4
65.03934	2.3
67.05176	2.5
67.05511	40.9
69.07071	17.4
69.29309	10.1
69.29722	3.3
73.06576	1.8
79.05499	75.4
81.07066	50.5
81.68639	1.5
83.05017	1.8
83.08629	9.7
85.06539	3.1
91.05487	30.1
93.07054	100.0
95.04964	5.1
95.08613	33.3
97.06516	4.2
97.10181	5.8
105.07041	19.3
107.08602	57.8
109.06539	3.1
109.10172	14.0
117.07001	4.6
119.08606	16.4
121.10153	49.4
123.11724	3.4
125.09631	1.6
131.08582	4.7
133.10156	14.7
135.11707	53.1
143.08530	3.5
145.10149	3.7
147.11696	11.4
149.09572	3.7
149.13263	31.7
157.10184	2.8
159.11697	6.0
161.13274	10.6
163.14830	10.8
171.11705	4.6
173.13243	3.5
175.11296	2.6
175.14844	6.1
176.05888	1.5
177.12790	3.6
185.13295	2.6
189.12761	1.6
199.14915	3.2
217.15845	1.6
235.16962	3.0
241.19545	6.3
249.18578	3.1
259.20605	7.5
291.06287	1.8
291.10248	3.4
291.23206	57.8
304.02591	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03938	4.1
53.90436	1.5
54.59182	1.2
55.01871	5.1
55.05518	28.9
55.05779	2.1
56.96571	3.4
57.03428	3.0
57.07087	16.4
59.04989	1.4
65.03937	1.9
65.77718	1.3
67.05172	2.4
67.05512	44.8
69.03425	4.2
69.06721	2.7
69.07076	42.3
69.57201	5.3
69.57634	4.3
71.04999	6.1
71.08646	8.0
77.03922	1.5
79.05057	2.7
79.05502	47.2
81.03425	3.5
81.07066	100.0
83.04997	3.7
83.08631	20.8
85.06559	10.2
85.10167	2.8
91.04958	2.4
91.05488	34.4
93.07052	68.3
95.04978	12.0
95.08617	79.9
97.06540	4.7
97.10182	14.4
98.97602	3.1
99.04469	1.9
99.08083	4.2
103.92285	1.5
105.03452	1.8
105.04502	1.3
105.07036	34.6
107.04948	6.5
107.08611	60.3
109.06509	8.8
109.09454	2.6
109.10170	41.9
111.04436	2.9
111.08085	10.8
111.11723	5.5
115.05421	1.6
116.06242	1.7
117.07011	12.2
119.04956	1.6
119.08595	40.8
121.06506	8.3
121.09309	2.3
121.10158	43.2
123.08099	9.5
123.11718	18.3
125.09624	6.7
127.03984	1.3
127.11176	2.2
128.06187	1.6
129.07022	4.7
131.08577	6.9
133.06476	2.0
133.10152	23.9
135.02016	1.2
135.08047	6.4
135.11714	40.4
137.09625	4.6
137.13290	7.1
139.03815	1.2
141.06969	1.5
143.08578	3.6
145.10144	12.7
147.08055	10.7
147.11708	22.8
149.09622	3.7
149.13275	55.2
151.07547	15.3
151.11185	3.8
151.14880	1.9
155.08592	2.0
157.10124	4.3
159.08054	2.3
159.09227	2.3
159.11716	3.3
161.05893	1.3
161.09625	4.4
161.13295	14.6
163.11226	3.2
163.14818	18.2
165.12801	5.0
165.16435	3.3
166.91684	1.3
171.11665	3.5
173.13327	2.9
175.11134	1.7
175.14830	6.9
177.16347	6.3
187.11195	1.5
189.11247	3.0
189.12787	4.7
189.16389	7.3
191.17937	4.2
197.11734	1.9
203.03488	1.5
203.07007	5.1
203.17958	6.2
207.13885	7.1
217.15878	1.5
217.19563	4.6
223.13300	2.0
227.18109	2.3
231.21133	1.9
233.22672	1.7
245.08351	2.1
245.15248	4.4
245.19078	1.6
247.24248	1.6
249.14890	5.3
255.17572	3.3
273.14960	2.8
273.18518	15.8
273.25775	29.0
291.06506	2.4
291.10318	3.6
291.15747	13.7
291.19568	38.2
291.26865	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.54543	0.9
53.03947	4.7
55.01865	1.5
55.05265	1.4
55.05516	21.9
56.70918	0.9
57.07062	2.5
59.04998	1.5
65.03951	1.4
67.05508	36.7
69.03420	1.7
69.06728	1.1
69.07072	16.6
70.66837	1.0
77.59980	0.8
79.05496	61.2
81.07062	45.6
81.07482	0.7
83.04971	2.7
83.08630	10.7
85.06539	3.5
91.05487	25.1
93.07050	100.0
94.95287	0.9
95.04986	5.3
95.08612	36.9
97.06518	2.5
97.10167	4.5
98.21497	2.2
99.72847	0.9
105.04489	2.3
105.07034	18.0
107.08600	56.7
109.06528	4.6
109.10165	13.9
111.08100	1.5
111.11675	1.2
117.07011	2.8
119.08590	13.3
121.06512	1.1
121.10148	50.0
123.08090	2.0
123.11700	5.0
125.09593	1.5
129.06993	1.8
131.08582	5.1
133.10143	15.2
135.08076	2.3
135.11699	52.3
137.09612	1.9
139.11240	1.1
143.08554	2.3
145.10153	5.5
147.11697	13.0
149.09654	3.5
149.13264	34.4
151.11212	1.6
157.10133	2.5
159.11665	5.5
161.13257	7.9
163.11209	4.5
163.14822	9.6
165.12776	2.3
171.11658	3.4
173.13231	3.3
175.11191	2.0
175.14824	6.5
177.12756	1.8
177.16542	1.0
185.13329	4.7
189.12762	2.5
193.02612	1.0
195.13756	1.6
203.14383	1.5
209.15341	2.2
217.15903	2.1
217.19470	2.2
221.15309	1.8
229.00850	1.0
231.17365	1.4
231.21072	1.3
235.16881	2.6
241.19482	2.9
249.18500	1.7
259.20575	8.0
291.23193	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03936	4.6
55.05310	1.4
55.05516	16.8
56.70733	1.8
57.07066	2.6
65.03923	1.8
67.05179	2.1
67.05511	34.4
69.07075	16.4
70.59465	3.5
70.59790	1.9
71.14972	1.5
77.44064	1.5
79.05503	67.8
79.81161	1.7
81.07061	46.4
83.04995	3.4
83.08634	11.3
85.06522	3.5
91.05479	28.4
91.06014	2.9
93.07051	100.0
95.04969	5.7
95.08056	2.6
95.08613	36.8
97.06548	3.5
97.10181	2.8
99.08037	2.7
99.87890	1.6
104.94718	1.5
105.07043	20.1
107.08598	58.3
108.18288	1.7
109.10161	16.2
111.08064	2.1
117.06988	3.4
119.08584	16.4
121.10155	52.7
123.04459	4.2
123.07988	2.0
123.11720	5.9
125.09621	2.7
127.03883	1.6
129.07036	3.0
131.08560	7.2
133.10156	14.8
135.08089	2.6
135.11705	55.6
137.09633	3.1
143.08585	4.1
145.10135	5.1
147.08066	2.4
147.11725	13.3
149.09608	4.3
149.13268	31.0
157.10152	3.2
159.11740	8.2
161.13284	9.3
163.11235	2.1
163.14815	9.6
169.04857	2.5
171.11711	3.8
173.13239	3.0
175.11215	1.8
175.14835	3.7
177.12822	3.4
185.13289	4.4
189.12750	2.2
199.14839	3.5
203.06982	2.1
203.14259	3.0
217.15883	1.7
217.19441	2.4
221.15469	2.3
231.17444	2.0
231.21045	1.7
235.16884	2.3
241.19476	4.6
249.85864	1.7
252.82201	1.6
259.20645	10.0
273.18750	1.9
291.10239	2.8
291.19928	3.9
291.23190	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.23938	1.3
53.03937	6.9
55.05296	1.7
55.05513	18.8
57.07065	2.4
67.05165	2.7
67.05508	38.7
69.07074	16.3
69.93592	6.8
77.03915	2.0
79.05497	71.4
81.07057	48.2
83.04945	1.9
83.08620	7.2
85.06538	4.1
88.34955	1.9
91.05485	24.6
93.07048	100.0
95.04959	5.1
95.08044	2.9
95.08607	35.1
97.06573	3.0
97.10165	3.9
105.04549	1.6
105.07046	22.0
107.08601	52.3
109.06555	2.0
109.10172	14.4
109.29870	1.4
111.08080	1.6
115.43022	1.5
117.07034	2.8
119.08585	12.7
119.44523	1.6
121.10147	50.7
123.11701	6.7
129.07030	3.1
131.08560	6.7
133.10133	13.2
135.08061	2.7
135.10672	3.3
135.11697	56.3
137.09590	2.5
137.13255	2.4
143.08578	3.5
145.10097	4.9
147.11679	11.2
149.09628	3.1
149.13263	39.0
151.11107	1.5
157.10091	2.6
159.11703	5.1
161.13223	9.1
163.11214	3.4
163.14812	9.8
171.11699	3.4
173.13315	2.7
175.11163	2.0
175.14871	4.6
177.12775	4.0
185.13303	3.5
189.12726	2.2
199.14693	2.1
203.06966	1.9
213.16405	2.9
217.15884	2.5
217.19621	2.5
241.19542	5.2
249.18518	3.4
259.20541	8.9
291.10162	3.7
291.23203	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	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03932	6.3
55.01874	16.5
55.05518	21.9
56.96535	2.8
57.03431	10.8
65.03926	6.7
67.05174	3.5
67.05508	62.6
69.03430	4.4
69.07052	9.6
70.33858	2.6
70.34200	7.3
71.04984	3.5
73.20814	2.6
79.05067	3.1
79.05498	55.0
81.03409	6.9
81.07062	79.0
83.04967	7.6
83.08623	5.5
85.06526	6.4
89.84882	2.6
91.04964	3.5
91.05482	51.4
93.07049	32.7
95.04974	79.7
95.08615	21.2
97.06522	8.7
97.10184	6.3
98.97572	2.8
105.03424	3.2
105.07023	33.6
107.04955	30.2
107.08608	27.9
109.05780	4.8
109.06521	89.9
109.10146	8.5
111.08078	5.0
115.05408	3.8
116.06232	5.2
117.07030	15.3
119.08595	24.4
121.06504	13.0
121.10138	9.0
123.08088	8.9
123.11668	2.9
123.96595	2.3
125.09602	3.1
129.07025	10.8
131.08585	21.1
133.06499	5.6
133.10121	8.0
135.08061	81.5
135.11678	8.2
141.06912	5.0
143.08549	9.8
145.06563	3.6
145.10101	19.9
147.08076	13.0
147.11694	6.2
149.09610	13.1
149.13329	3.6
151.07529	5.3
157.10129	7.8
159.11682	8.3
161.09619	11.8
163.11166	6.0
165.06946	3.5
167.08612	2.6
167.53966	2.3
171.11717	6.0
173.13283	4.6
173.70195	2.5
175.11212	6.3
177.12770	3.3
178.07832	5.1
179.08534	4.6
185.05994	2.5
185.09633	3.3
189.12785	3.9
191.08698	2.6
195.08031	2.8
197.06015	4.9
202.07693	4.4
204.09387	2.9
205.12254	2.6
207.08104	8.1
207.13857	2.6
217.15871	16.5
219.08061	2.9
223.07513	4.4
235.07607	3.7
245.09673	5.6
247.07550	3.2
248.08302	16.6
251.04436	3.2
251.07059	57.1
255.17601	4.1
256.03479	2.2
263.07074	4.3
263.10626	13.6
273.18457	32.5
276.07727	11.0
282.95108	2.2
291.06583	17.3
291.10132	100.0
291.13651	8.8
291.19516	53.8
291.26987	2.9
292.07245	2.6
292.10397	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	291.1958
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03941	1.1
55.01874	2.9
55.05518	9.2
56.96558	0.9
57.03431	0.8
57.07067	0.6
57.52873	0.4
59.04990	0.6
67.05511	6.0
69.03418	1.8
69.07074	3.9
69.90580	2.1
71.04985	1.2
79.05065	0.5
79.05502	8.5
81.03399	0.9
81.07059	8.0
83.04976	1.2
83.08625	4.3
85.06535	0.4
88.54517	0.4
91.04965	0.6
91.05490	8.6
93.07056	7.4
94.04198	0.4
95.04980	2.5
95.08034	0.6
95.08604	3.8
97.10175	4.1
103.05501	0.5
105.07040	8.8
107.04979	3.8
107.08596	4.6
108.05762	0.5
109.06543	0.9
109.10170	1.3
111.08077	0.6
115.05452	1.0
116.06232	0.5
117.07026	3.7
119.04944	1.9
119.08593	6.3
120.05791	0.4
121.06546	2.3
121.10140	1.8
123.08040	1.5
123.11734	0.5
125.09626	2.8
127.03940	0.5
128.06242	0.5
129.07016	1.3
130.07730	0.6
131.08585	4.1
133.06506	3.7
133.10153	2.5
134.07272	1.2
135.08044	1.5
135.11720	0.8
137.09612	0.8
143.08563	1.9
145.10138	4.3
147.08083	4.3
147.11765	0.8
148.08791	0.6
149.09615	1.6
152.05312	0.4
157.10153	1.6
159.07979	0.5
159.09172	0.5
159.11755	1.0
161.09648	1.4
161.13312	0.4
162.10370	2.2
163.11201	1.0
165.09114	0.6
169.33759	0.4
171.11670	0.5
175.11143	0.8
185.09589	0.4
203.07205	0.5
223.13313	1.1
233.15471	0.4
245.09508	0.6
245.18942	0.6
249.14943	1.8
249.18550	0.5
261.14926	0.5
262.75089	0.5
264.88953	0.4
273.18491	4.6
291.10287	1.5
291.19559	100.0
292.19891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03931	1.0
53.44996	0.2
54.03886	0.3
55.01875	1.8
55.05516	7.3
57.03447	0.5
59.04985	0.3
65.03907	0.5
67.05508	4.1
69.03426	1.2
69.07069	2.9
69.84776	0.6
69.85182	0.9
71.04984	0.6
71.38819	0.2
79.05064	0.3
79.05500	5.9
81.03412	0.7
81.07063	5.7
83.04982	0.8
83.08632	3.2
85.06534	0.4
91.05485	9.2
93.07052	5.1
95.04978	2.0
95.08611	2.5
97.06524	0.5
97.10184	2.9
98.20797	0.4
103.05466	0.4
105.06374	0.5
105.07037	6.2
107.04964	2.0
107.08596	3.3
108.08882	0.3
108.28171	0.3
109.06494	0.6
109.10155	0.6
111.00829	0.3
111.08059	0.3
113.31892	0.3
115.05447	0.4
116.06221	0.4
117.07030	2.1
119.04964	1.5
119.08582	4.7
120.05679	0.6
121.06512	2.0
121.10143	1.3
123.08061	1.1
125.09666	1.3
126.15247	0.2
128.06146	0.5
129.07013	1.6
130.07790	0.6
131.08580	2.1
133.06509	3.6
133.10126	0.9
134.07269	1.0
135.08052	1.2
135.11678	0.6
142.07796	0.5
143.08542	1.2
143.18007	0.2
145.10139	2.2
147.08055	2.8
147.11676	0.6
149.09599	1.2
153.11809	0.2
157.06552	0.4
157.10114	0.9
159.11642	0.4
161.09621	1.0
162.10442	1.6
163.11168	0.5
165.09198	0.4
171.11681	0.3
175.11206	1.1
176.08075	0.2
185.05968	0.3
188.25713	0.3
189.11285	0.3
199.37456	0.2
203.06964	0.3
223.13304	1.0
245.19016	0.4
249.14896	1.7
255.17363	0.4
261.14880	0.4
273.18524	2.4
277.80142	0.3
286.10883	0.3
291.19553	100.0
292.19855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03936	11.3
55.01875	12.9
55.05515	25.0
56.96557	3.3
57.03427	4.1
58.01264	1.7
65.03934	4.1
67.05174	2.5
67.05509	44.9
69.03413	7.4
69.06779	1.7
69.07074	19.4
69.43212	13.4
69.85931	1.7
71.04978	3.8
77.03888	2.0
79.05497	50.2
81.03427	14.4
81.07060	60.1
83.05000	8.3
83.08619	11.7
85.06545	3.4
91.05483	45.8
93.07047	42.8
95.04980	16.2
95.08610	50.3
97.06525	6.6
97.10155	4.8
99.08041	2.4
103.05482	2.9
105.07030	35.1
107.04968	25.6
107.08596	28.4
107.79105	1.8
109.02858	2.0
109.06522	13.7
109.10159	18.9
111.08063	6.7
113.06023	2.3
115.05448	4.0
117.07015	15.5
119.04943	2.6
119.08590	28.7
121.06513	18.6
121.10135	17.0
123.04446	3.7
123.08081	11.9
123.11639	3.2
123.49034	1.9
125.09650	4.1
128.06201	4.4
129.07060	10.5
130.07822	1.9
131.08568	26.5
133.06497	15.7
133.10127	24.2
135.08067	21.8
135.11679	6.1
137.09625	6.7
139.07587	4.2
141.06950	2.2
142.07832	2.0
143.08585	8.3
145.06485	2.9
145.10120	19.3
147.08055	15.3
147.11700	7.4
148.83340	1.7
149.09630	20.2
149.13264	3.0
151.07492	2.4
151.11162	7.6
157.06500	1.8
157.10114	7.6
159.08025	5.2
159.11649	6.3
161.09619	17.4
161.13286	3.3
163.11142	4.8
165.09163	3.2
167.10725	2.4
169.10106	2.3
171.11713	8.4
173.09538	2.1
173.13255	2.0
175.11159	10.3
176.73424	2.0
177.09041	3.9
177.12784	3.2
179.10669	2.6
181.10135	2.5
185.13228	3.2
187.11266	2.5
189.12761	6.6
193.12410	1.9
195.11702	2.5
199.11197	5.6
203.14352	3.1
213.12866	3.6
217.15727	2.2
223.13278	2.5
227.17921	7.6
235.16968	2.1
245.19063	11.5
249.14938	2.6
255.17410	6.2
263.20151	6.4
273.18484	55.4
291.19534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03933	2.2
55.01883	3.1
55.05515	11.6
56.96571	1.2
57.03416	0.9
58.71380	0.5
59.04998	0.6
65.03924	1.1
67.05503	7.4
68.25452	0.6
69.03422	1.9
69.07064	4.1
71.04976	2.1
71.34369	1.1
79.05495	10.2
81.03409	2.1
81.07061	11.2
83.04964	1.6
83.08632	4.1
85.06553	0.8
87.04305	0.5
89.40656	0.6
91.05485	13.6
92.05757	0.7
93.07049	9.9
95.04971	4.3
95.08617	4.8
97.06472	0.9
97.10162	5.2
103.05445	0.6
105.03405	1.0
105.06381	0.8
105.07031	8.6
107.04294	0.6
107.04968	5.9
107.08601	5.2
109.06491	1.8
109.10143	2.6
115.05461	0.9
115.75669	0.5
117.07030	5.4
119.04938	2.0
119.08586	9.0
120.05772	0.7
121.06505	3.7
121.10136	2.7
123.08050	2.3
123.11684	0.6
125.09636	2.2
128.06233	1.2
129.07019	2.4
131.08577	5.3
133.06512	3.3
133.10132	1.9
134.07262	1.4
135.08067	2.0
135.11708	1.3
137.09642	2.0
139.03859	0.7
141.06912	0.6
143.08549	1.8
145.06480	0.9
145.10121	4.7
147.08047	6.3
147.11707	1.0
149.09633	2.5
151.07521	0.7
155.08504	0.6
157.10100	1.4
159.11743	1.7
161.09627	2.1
162.10382	0.7
165.09105	1.3
171.11674	1.0
175.11165	1.5
185.13283	0.6
189.11206	1.0
223.13257	2.0
245.19077	1.1
249.15004	2.6
249.21509	0.6
255.17517	1.0
261.14859	0.5
273.18497	6.5
291.10226	1.6
291.19550	100.0
292.19904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.3
55.01874	16.5
55.05518	21.9
56.96535	2.8
57.03431	10.8
65.03926	6.7
67.05174	3.5
67.05508	62.6
69.03430	4.4
69.07052	9.6
70.33858	2.6
70.34200	7.3
71.04984	3.5
73.20814	2.6
79.05067	3.1
79.05498	55.0
81.03409	6.9
81.07062	79.0
83.04967	7.6
83.08623	5.5
85.06526	6.4
89.84882	2.6
91.04964	3.5
91.05482	51.4
93.07049	32.7
95.04974	79.7
95.08615	21.2
97.06522	8.7
97.10184	6.3
98.97572	2.8
105.03424	3.2
105.07023	33.6
107.04955	30.2
107.08608	27.9
109.05780	4.8
109.06521	89.9
109.10146	8.5
111.08078	5.0
115.05408	3.8
116.06232	5.2
117.07030	15.3
119.08595	24.4
121.06504	13.0
121.10138	9.0
123.08088	8.9
123.11668	2.9
123.96595	2.3
125.09602	3.1
129.07025	10.8
131.08585	21.1
133.06499	5.6
133.10121	8.0
135.08061	81.5
135.11678	8.2
141.06912	5.0
143.08549	9.8
145.06563	3.6
145.10101	19.9
147.08076	13.0
147.11694	6.2
149.09610	13.1
149.13329	3.6
151.07529	5.3
157.10129	7.8
159.11682	8.3
161.09619	11.8
163.11166	6.0
165.06946	3.5
167.08612	2.6
167.53966	2.3
171.11717	6.0
173.13283	4.6
173.70195	2.5
175.11212	6.3
177.12770	3.3
178.07832	5.1
179.08534	4.6
185.05994	2.5
185.09633	3.3
189.12785	3.9
191.08698	2.6
195.08031	2.8
197.06015	4.9
202.07693	4.4
204.09387	2.9
205.12254	2.6
207.08104	8.1
207.13857	2.6
217.15871	16.5
219.08061	2.9
223.07513	4.4
235.07607	3.7
245.09673	5.6
247.07550	3.2
248.08302	16.6
251.04436	3.2
251.07059	57.1
255.17601	4.1
256.03479	2.2
263.07074	4.3
263.10626	13.6
273.18457	32.5
276.07727	11.0
282.95108	2.2
291.06583	17.3
291.10132	100.0
291.13651	8.8
291.19516	53.8
291.26987	2.9
292.07245	2.6
292.10397	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	291.196
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.50834	1.1
53.67065	1.1
55.01863	3.0
55.05512	11.5
56.96555	3.4
57.03425	3.0
57.07084	6.4
59.04997	2.9
67.05505	17.2
69.03426	2.4
69.07074	10.7
70.06583	3.9
70.15631	3.0
70.16034	2.7
71.04981	4.3
79.05504	17.7
79.39262	1.4
81.03415	2.1
81.07067	26.8
83.04967	3.4
83.08620	7.3
85.02880	2.0
85.06559	6.0
88.07595	2.4
91.05491	19.9
93.07050	24.7
95.04982	8.4
95.08047	2.1
95.08613	29.9
97.06525	5.3
97.10179	1.7
98.97577	5.5
102.09165	1.6
103.05431	1.8
105.07039	20.5
107.04964	7.6
107.08598	18.2
109.06541	14.8
109.10165	12.7
111.08095	28.2
113.05955	2.1
115.05450	1.5
116.98594	1.6
117.06992	4.8
119.08578	19.5
119.59822	1.1
121.06500	4.1
121.10148	14.9
121.85557	1.2
122.07285	1.5
123.04403	1.7
123.08082	44.1
123.11708	5.3
125.09634	1.9
127.03862	1.2
128.06195	2.8
129.06964	3.0
130.06548	2.1
131.08574	11.6
133.06503	5.7
133.10167	12.6
135.08063	11.4
135.11682	9.4
137.09647	6.0
137.13261	2.0
139.11166	1.5
141.05470	2.3
142.07796	1.5
143.08623	6.0
145.10135	16.0
147.08049	6.1
147.11691	11.9
149.09637	9.4
149.13260	6.5
151.07556	100.0
153.09015	1.7
155.08527	1.9
155.10652	1.4
156.09329	2.5
157.10135	7.1
159.08041	3.6
159.09219	2.4
159.11646	8.1
161.09651	5.8
161.13284	4.5
163.11211	4.8
163.14853	2.8
171.11687	5.1
173.09612	2.5
173.13245	6.6
174.10365	2.1
175.11179	6.5
175.14832	2.0
177.09149	2.2
177.12758	2.1
179.10645	6.2
181.10002	1.4
185.05771	1.5
185.13235	2.5
187.11183	4.9
187.14742	2.2
188.07074	1.3
189.00624	1.2
189.12755	29.9
190.13387	1.5
191.10674	2.2
191.14302	4.3
191.17882	1.3
192.11469	5.3
197.11717	14.9
197.13252	2.3
199.11212	1.6
203.06975	3.8
203.14268	2.2
203.18088	1.2
205.12230	1.4
207.13817	61.4
213.16393	3.2
215.14368	5.9
217.12152	3.1
217.15787	1.6
227.17923	2.3
228.23047	1.4
229.23660	6.1
231.17474	2.9
233.15378	14.5
235.13319	2.1
237.16400	1.5
249.18484	2.1
255.17432	3.0
261.07516	1.7
273.14429	1.7
273.15540	1.7
273.18518	14.7
273.25702	1.9
291.09802	4.3
291.15775	12.2
291.19516	66.3
291.26984	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	4.5
55.01879	16.1
55.05263	2.2
55.05516	41.9
56.12387	1.5
56.96555	1.7
57.03427	7.0
57.07064	5.0
59.05005	2.1
65.03930	4.2
67.05171	3.0
67.05508	47.2
69.03433	7.9
69.07070	22.3
69.53764	10.6
71.04996	3.6
71.08627	3.6
77.03920	2.6
79.05496	80.9
81.03408	4.8
81.07061	81.0
83.04987	7.2
83.08620	19.4
84.50529	1.4
85.06536	6.9
87.04475	1.6
91.05489	56.8
93.07047	64.0
95.04982	23.4
95.08040	3.0
95.08614	42.3
97.06538	3.9
97.10172	16.7
98.97618	1.6
103.05481	4.1
105.03381	5.1
105.04535	2.6
105.07035	43.3
106.07398	2.0
107.04960	15.7
107.08598	34.8
109.06524	15.1
109.10156	18.4
111.04414	2.2
111.08101	12.5
115.05470	3.7
116.06239	3.3
117.07026	41.8
119.04941	4.3
119.08586	69.1
121.06516	20.7
121.10143	26.3
123.08118	11.2
123.11710	6.5
125.09610	14.4
128.06221	5.3
129.06998	14.6
130.07750	2.4
131.08580	34.0
132.05702	2.2
133.06508	9.4
133.10126	16.2
135.08067	18.8
135.11703	15.0
137.09644	3.8
137.13257	2.4
139.11157	1.9
141.06946	2.4
142.07758	2.3
143.08556	23.5
144.09344	2.0
145.06548	1.9
145.10129	36.6
147.08061	34.4
147.11690	8.7
149.09633	14.4
149.13255	14.5
151.07556	25.3
151.14717	1.8
157.06537	2.6
157.10159	11.5
159.08087	7.6
159.11731	11.1
161.09612	13.6
161.13254	5.7
163.11186	4.2
163.14821	5.8
165.12744	2.5
169.10138	2.3
171.11644	8.6
173.09641	2.5
173.13290	2.0
175.11206	5.5
177.09061	1.9
181.10104	3.7
183.11623	2.3
185.09654	1.8
185.13269	6.1
189.11191	8.5
189.12791	7.2
189.16379	2.7
192.11517	2.0
195.11700	2.1
199.11154	2.2
199.14899	1.8
203.03404	3.0
203.17918	2.4
207.13773	12.4
213.12718	2.5
217.12471	1.9
217.15778	2.5
217.19449	2.0
219.13699	2.3
223.13275	4.7
227.17937	5.0
231.13966	2.4
233.15379	2.4
237.16437	2.8
245.19003	3.9
249.14767	11.5
255.17390	8.9
259.09598	3.8
273.18509	62.2
273.25836	6.5
291.16132	4.0
291.19550	100.0
291.26678	12.8
292.19678	1.8
297.44507	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03941	2.9
55.01870	2.8
55.05509	15.5
56.96566	6.7
57.02936	1.5
57.03421	2.3
57.07067	5.4
59.04994	3.0
64.32078	1.3
65.03923	2.7
67.05508	15.3
69.03420	4.0
69.07076	13.0
70.20125	5.6
71.04978	4.4
79.05492	16.3
81.03413	1.9
81.07061	32.4
83.04960	5.8
83.08618	13.3
84.04556	1.7
85.06529	5.0
86.50709	1.4
89.75482	1.5
91.05493	20.7
92.69517	1.3
93.07045	23.5
95.04972	11.9
95.08611	34.9
97.06525	7.2
97.10161	3.1
98.97578	6.1
99.04440	1.5
99.36334	1.3
102.84426	1.3
105.07030	18.8
105.84377	1.4
107.04958	15.1
107.08603	24.5
109.06512	12.3
109.10163	14.4
109.31605	1.3
111.07362	2.5
111.08092	41.3
113.09660	2.0
115.05411	1.9
116.98615	3.2
117.07027	5.2
119.04897	1.9
119.08593	18.1
121.06532	3.5
121.10126	13.8
122.07310	1.7
123.08072	38.0
123.09467	1.4
123.11683	5.0
125.05961	1.5
125.09620	3.6
128.06186	2.8
129.07010	4.6
130.06570	1.7
131.00148	1.2
131.08551	9.3
133.06483	4.8
133.10139	11.6
135.08055	9.9
135.11732	7.5
137.09634	4.2
137.13272	2.1
139.11168	1.4
142.07736	2.6
143.08563	6.1
144.05717	2.6
145.06535	1.8
145.10089	8.3
147.08037	4.4
147.11711	10.1
147.88377	1.5
149.09608	8.7
149.13248	6.6
151.07545	100.0
153.08992	2.6
153.12726	1.4
156.09335	1.6
157.06482	2.2
157.10094	5.4
158.07300	1.6
158.10905	2.2
159.08034	3.7
159.09198	3.3
159.11700	2.5
161.05969	8.4
161.09618	5.4
161.13239	4.0
162.06741	1.8
163.11143	3.8
163.14807	4.3
165.12994	1.4
167.10651	2.0
169.10237	2.1
171.11662	5.3
173.09593	2.9
173.13257	5.6
175.11166	5.9
175.14783	1.4
176.04677	2.5
177.09117	2.2
179.10657	3.9
181.12277	2.3
185.05916	7.4
186.06760	2.6
187.03911	5.6
187.11180	1.8
187.14868	1.8
189.09053	1.6
189.12767	29.7
189.16336	1.9
190.06177	4.4
190.13298	1.6
191.14307	11.2
192.11412	3.3
197.11758	14.1
197.13312	2.2
199.07584	2.2
200.04677	6.0
202.06276	2.7
203.07051	10.1
207.13814	67.8
213.16374	3.4
215.14299	4.2
217.08533	1.8
217.12219	3.7
227.07043	4.1
231.06540	2.5
231.17461	3.1
233.15378	35.5
235.13148	2.0
245.08041	31.9
245.18925	2.5
249.02962	1.5
249.18555	3.0
255.17340	2.2
258.05286	2.6
273.15533	2.0
273.18491	10.1
273.25662	2.0
291.08438	12.4
291.12830	1.8
291.15790	12.8
291.19540	57.3
291.22940	2.2
291.26688	12.6
305.05841	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.54344	2.2
52.69181	2.1
53.03936	6.1
55.01872	15.4
55.05513	60.4
57.03431	5.5
57.07069	2.8
62.65094	2.3
63.89349	2.1
65.03936	3.6
67.05507	45.7
69.03420	8.2
69.07074	20.5
70.79967	3.9
70.80308	5.0
71.04996	7.2
79.05061	4.5
79.05499	70.9
79.77273	2.3
80.24207	2.0
81.03417	3.8
81.07064	72.9
83.00336	2.4
83.04984	13.8
83.08627	22.9
85.02892	3.7
85.06549	3.8
89.90892	2.2
91.05488	70.8
93.07051	42.7
95.04968	18.6
95.08053	2.5
95.08613	28.4
97.06556	6.5
97.10181	27.8
105.03379	7.1
105.07039	36.5
107.04955	18.4
107.08598	29.3
109.06516	9.6
109.10170	14.3
111.08067	4.4
115.05464	5.4
116.06293	3.6
117.07027	32.1
119.04901	4.6
119.08586	84.5
121.06544	15.1
121.10153	18.8
123.08067	7.6
123.11703	5.1
125.09637	25.3
125.49982	2.2
128.06129	3.5
129.07004	13.4
131.08575	30.3
132.05734	3.5
133.06544	6.6
133.10144	10.8
135.08069	20.1
135.11678	8.4
137.09641	3.6
142.07767	4.4
143.08565	19.1
145.06451	4.2
145.10129	30.2
147.08054	48.1
147.11681	3.5
149.09601	9.6
149.13226	4.4
151.07544	11.5
153.09178	3.7
157.10152	14.8
159.08101	3.4
159.11694	11.8
161.09634	12.1
161.13208	4.2
163.11171	4.0
167.08598	2.7
169.10156	4.0
171.11699	7.5
173.09641	2.7
173.11707	2.2
173.13255	2.8
175.11157	4.7
181.10077	4.7
185.09514	3.1
185.13237	2.3
187.11111	3.6
189.11200	13.0
189.12711	4.7
193.12268	2.5
199.11137	2.8
207.13876	5.7
209.13243	3.7
245.19031	5.6
249.14856	7.2
255.17474	10.6
261.07660	2.9
273.18509	100.0
273.25461	2.7
291.19553	71.7
291.26837	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	291.1341
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
55.05517	0.8
58.06613	0.7
60.04550	0.7
60.08168	100.0
61.01152	1.9
70.06594	1.2
71.12937	1.4
72.04518	0.8
72.08156	0.7
84.08154	13.0
86.09707	1.9
87.55998	0.7
89.57159	0.6
91.05482	1.1
95.05021	0.6
95.08633	0.6
98.97598	1.6
111.86721	0.6
113.95962	0.7
114.09202	1.2
115.05465	6.5
118.06557	11.9
123.04467	0.9
126.09164	1.2
129.07071	0.6
130.06540	3.4
132.06699	0.6
132.08434	13.7
132.10132	3.4
140.04958	5.9
142.06526	4.7
143.07294	0.7
144.04492	0.9
144.08087	6.0
146.06020	24.6
147.04471	0.8
157.07648	2.1
158.06029	52.9
158.11732	0.7
159.06375	0.8
160.07642	1.2
168.04466	25.0
170.06029	23.6
170.07231	0.6
172.03940	10.1
175.07442	0.7
186.05519	26.7
188.07108	10.3
190.05067	2.5
196.04033	2.0
199.12338	3.1
200.10721	0.7
214.05000	28.4
227.06978	0.8
232.06062	52.3
245.12967	1.3
273.12332	12.5
291.13425	62.0
291.16638	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	291.0975
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
52.74623	1.1
56.84608	1.1
71.08487	2.1
79.01929	1.2
88.03980	1.7
101.53735	1.2
115.05488	4.5
117.05796	2.2
118.06532	13.0
118.88443	1.1
130.06534	100.0
132.08090	34.0
142.06528	13.0
144.08093	7.0
146.06020	19.0
156.02917	2.8
156.08072	3.8
157.07571	4.0
158.06073	1.7
158.08400	4.2
159.09181	92.9
160.07623	4.4
167.06108	2.1
169.07689	3.1
170.06015	34.5
172.07600	2.1
181.07584	3.3
183.09238	4.7
184.07570	17.5
185.07103	41.6
187.08699	4.4
188.07076	40.4
188.08769	1.4
199.08699	1.9
200.07108	8.7
201.10229	14.9
209.07196	2.1
227.08154	50.1
229.09790	2.5
231.07623	4.2
245.09227	81.2
250.65601	1.2
255.07674	4.9
263.12927	1.2
273.08694	7.7
291.09756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2529
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03938	5.6
55.01851	2.3
55.05516	21.9
56.96566	19.4
57.07059	6.5
59.04994	5.7
65.03957	3.6
67.05511	26.2
68.43846	1.9
69.03432	4.4
69.07071	94.0
69.44091	15.3
71.04980	5.3
75.50052	1.8
79.05488	25.3
81.03358	1.9
81.07060	100.0
83.04990	4.2
83.08629	11.9
85.02906	3.6
85.06526	4.9
91.05479	24.9
93.07049	47.8
94.91439	1.6
95.04946	6.5
95.08610	51.4
97.06511	6.9
97.10180	5.4
99.08111	3.1
105.07035	32.2
107.08598	57.6
109.02859	2.8
109.06511	5.7
109.10161	38.4
111.08080	6.0
111.11730	18.7
117.07037	6.4
119.08585	30.9
121.06490	3.2
121.10147	29.9
123.04373	2.1
123.08085	2.9
123.11701	26.2
125.09632	2.9
127.03919	61.7
131.08554	10.2
132.88260	1.7
133.10149	23.8
135.04431	4.7
135.08095	4.0
135.11694	54.7
137.09584	3.3
137.13242	5.9
139.11189	13.3
143.08597	4.0
145.10161	14.6
147.07954	3.0
147.11688	16.1
149.02307	6.4
149.09625	2.9
149.13261	27.3
151.03923	7.7
151.11234	4.4
153.01807	5.5
155.08594	2.5
157.10138	2.5
159.11700	16.1
161.06007	6.4
161.09705	2.6
161.13255	12.2
163.03946	3.4
163.14853	8.9
165.12769	2.5
167.03394	9.5
173.09596	2.0
173.13226	7.5
175.14809	6.7
177.16434	6.0
183.11662	2.5
187.14824	8.2
189.16400	7.7
191.17999	3.5
199.02829	4.1
201.16418	8.4
203.17970	4.2
207.17458	2.0
215.17943	10.7
217.03842	5.3
225.00682	5.6
229.12148	2.4
229.19398	2.7
231.21089	3.1
239.45139	1.8
243.01753	23.7
243.17458	2.7
261.02829	3.9
266.03235	2.4
271.09488	3.2
271.16791	2.7
271.24158	19.1
289.06320	3.4
289.11514	2.4
289.14700	2.9
289.17981	12.1
289.21646	6.9
289.25232	54.8
289.29175	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03936	2.2
55.05515	19.1
55.75605	1.5
57.07059	4.9
65.03928	3.2
67.05172	1.8
67.05509	32.1
69.03422	2.2
69.07072	59.3
71.04984	3.6
71.58150	2.0
71.58508	2.1
79.05499	29.0
80.56958	1.4
81.07061	95.7
83.08627	11.3
85.06532	3.7
91.05479	15.3
93.07050	46.9
95.04974	3.1
95.08611	59.8
97.06545	3.3
97.10159	7.2
99.08100	1.9
105.07044	27.4
107.08597	56.9
109.06521	3.8
109.10161	49.3
111.08080	3.1
111.11729	46.1
113.09709	2.1
117.07021	3.9
119.08581	26.8
121.10151	31.0
123.08066	2.9
123.11713	18.6
125.09610	2.3
127.03925	47.0
131.08601	7.5
133.10124	23.5
135.08090	1.9
135.11697	44.9
137.09593	2.8
137.13226	6.4
139.11159	5.8
145.10136	12.2
147.11713	20.1
149.02412	2.5
149.09598	2.2
149.13255	25.9
151.14822	1.8
159.11697	13.4
161.05991	3.4
161.13300	17.1
163.14835	28.8
163.16100	3.0
165.12679	1.8
167.03378	2.3
173.13277	8.7
175.14883	10.0
177.16423	9.9
177.58815	1.3
183.90433	1.7
187.14865	8.3
189.16316	9.1
193.15932	2.0
201.16425	9.5
203.18028	4.3
215.17975	10.9
229.19626	2.4
231.21057	5.5
233.18919	2.3
236.70415	1.9
243.09006	1.5
271.24231	38.6
277.91037	1.6
289.22046	5.1
289.25262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03944	3.7
55.01851	1.3
55.05291	1.2
55.05517	12.2
57.07067	3.6
58.42577	0.9
62.95864	1.0
65.03944	1.0
67.05175	1.1
67.05515	18.6
69.06715	1.4
69.07070	20.3
69.21046	9.6
70.33844	1.0
70.55761	1.0
71.08633	1.5
79.05501	21.1
80.75517	1.0
81.07062	100.0
83.08623	16.0
91.05484	10.3
93.07047	25.4
95.04941	1.6
95.08611	40.9
97.06548	1.7
97.08698	0.9
97.10170	12.0
98.20761	2.2
105.07039	16.0
107.08604	11.0
109.06497	4.9
109.09447	1.8
109.10159	24.6
111.08070	6.7
111.11686	1.1
117.06990	3.1
119.08577	9.0
121.10158	10.9
123.08063	1.9
123.11716	15.6
127.03922	20.6
131.08586	4.2
133.10124	8.2
135.11705	6.0
137.09584	2.5
137.13292	1.3
145.10117	4.3
147.11703	6.5
149.02298	1.0
149.13293	5.2
151.11195	2.2
159.11697	5.6
161.06012	1.8
161.13261	3.0
163.14848	2.9
165.89305	1.0
167.03339	0.9
173.13297	2.4
175.14836	2.6
177.16388	4.5
179.17975	1.9
187.14865	4.1
189.16348	5.0
191.14276	1.4
198.36357	1.2
201.16411	3.5
203.17999	2.5
205.15837	2.2
207.17412	2.4
215.17972	3.8
233.19153	1.1
269.28287	1.0
271.24225	7.4
289.21957	2.5
289.25272	23.0
289.28906	1.5
310.08957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03945	6.0
55.05514	23.5
56.15648	1.6
57.07067	7.7
65.03926	2.6
67.05165	2.9
67.05508	44.1
69.03429	6.8
69.06714	3.2
69.07071	38.0
70.20666	7.8
71.04992	5.1
79.05496	29.2
81.07063	100.0
83.04998	3.7
83.08613	15.5
85.02906	2.1
85.06534	5.0
91.05479	33.4
93.07050	47.0
95.04971	2.3
95.08614	96.0
97.06537	11.0
97.10170	9.6
99.08044	2.4
105.06377	3.6
105.07040	53.1
107.04971	3.0
107.07861	3.1
107.08598	56.5
109.06492	5.8
109.09451	3.5
109.10163	62.0
111.08080	6.9
111.11713	3.2
113.09668	2.8
117.07009	5.8
117.86673	1.8
117.87572	1.8
119.08585	50.8
121.06517	2.0
121.09305	2.8
121.10153	41.8
123.08089	4.9
123.11700	32.0
125.09612	7.7
127.03928	51.6
127.11199	4.1
129.07014	2.8
131.08572	15.5
133.10144	38.0
135.11723	29.4
137.09671	3.2
137.13235	8.7
139.11169	4.2
143.08542	4.2
145.10124	17.3
147.11700	28.5
147.14493	1.8
149.02280	4.6
149.13266	26.8
151.11157	3.6
151.14801	3.9
153.12740	2.8
154.18414	1.9
157.10104	3.5
159.11716	22.9
161.06020	6.9
161.13261	25.1
163.14832	22.1
165.12741	3.9
165.16344	2.0
167.03380	5.0
169.10109	2.8
173.09508	1.9
173.13300	11.7
175.14847	18.5
177.16400	7.8
179.14308	2.6
187.14825	8.4
189.16386	10.9
191.17989	4.5
193.15862	4.9
201.16417	11.5
203.17975	8.0
207.17526	4.5
215.17912	11.9
229.19620	3.4
231.21211	2.9
239.17961	2.6
257.18887	3.5
271.24258	34.3
289.05902	2.0
289.14761	2.1
289.18472	3.0
289.21671	33.8
289.25262	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
52.84817	1.8
53.03952	3.8
55.01872	2.2
55.05509	20.8
55.45551	2.0
56.96564	5.3
57.03419	2.5
57.07069	7.8
59.05008	2.6
65.03952	2.6
67.05516	28.4
69.03432	6.9
69.07072	32.0
69.32561	13.6
69.32966	2.4
71.05002	6.3
77.03948	1.8
79.05489	21.6
81.03426	2.5
81.07063	79.3
83.04996	3.5
83.08617	10.3
85.02890	4.6
85.06551	3.5
91.05478	19.9
93.07050	46.0
95.04976	6.6
95.08616	77.1
97.06548	8.1
97.10187	7.6
99.04477	2.9
101.70470	2.0
105.07039	36.2
107.04980	5.5
107.08608	45.7
108.52858	2.2
109.06529	4.8
109.09447	3.7
109.10162	49.6
111.08057	5.7
111.11747	4.3
116.98669	2.4
117.03441	2.3
117.07039	4.8
119.08592	30.7
121.06526	3.5
121.10157	31.7
123.04440	4.1
123.08122	4.0
123.11707	21.8
125.09620	4.4
127.03928	100.0
127.11247	3.1
128.06279	2.3
131.08585	8.2
133.10152	21.0
133.78040	1.8
135.04469	5.4
135.08060	5.5
135.11710	22.8
137.05952	2.7
137.09628	5.5
137.13246	7.1
139.11183	3.7
142.80740	2.0
143.08565	3.1
145.10146	12.8
147.11732	17.9
149.02362	14.6
149.06027	2.5
149.09634	2.8
149.13263	20.9
151.04004	3.1
151.11197	4.5
153.01837	18.3
153.12715	2.2
159.11687	14.4
161.05978	11.4
161.09627	2.5
161.13280	21.7
163.03891	13.5
163.07367	2.0
163.14821	15.5
165.05547	2.5
165.12767	3.5
167.03423	20.3
167.14270	2.3
171.11743	2.3
173.09598	3.2
173.13295	7.9
175.14832	11.3
177.16360	2.6
179.03445	2.8
179.14336	2.9
187.14825	5.7
189.16357	9.7
193.15865	2.9
201.16376	11.2
203.17952	7.4
205.19566	2.2
207.17529	3.3
215.17960	10.7
229.19572	3.0
271.09952	2.2
271.13351	3.3
271.20944	4.0
271.24274	25.7
289.07010	7.2
289.08829	5.4
289.14349	7.1
289.18518	3.7
289.21765	12.5
289.25311	61.2
289.28754	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03935	2.4
55.01847	1.3
55.05514	16.7
56.96573	0.9
57.03432	2.4
57.07078	7.1
59.81717	0.9
61.74955	0.9
62.14253	0.8
63.10021	0.8
63.40751	0.7
65.03978	1.1
67.05511	32.4
69.03422	3.1
69.07071	30.3
69.87545	2.6
69.87941	1.5
71.04982	2.6
71.08622	2.3
79.05059	1.9
79.05495	27.7
81.03408	1.2
81.07062	79.2
82.07359	0.9
83.04962	2.1
83.08629	10.4
84.04488	1.2
85.06546	17.4
91.04956	1.6
91.05485	19.5
93.06467	2.1
93.07048	40.8
93.14130	0.8
95.04969	5.4
95.08612	69.9
97.06540	12.6
97.10174	5.4
98.97587	1.9
99.04436	1.0
99.08090	10.4
103.03976	0.9
103.05412	1.4
105.04583	0.9
105.07037	40.0
107.08598	42.4
109.06504	2.5
109.10163	37.5
109.10922	1.6
111.08064	4.7
111.11721	2.0
113.09633	4.4
115.05476	0.9
117.06999	4.1
119.04929	0.9
119.08585	36.4
119.09452	1.8
121.06509	5.2
121.09310	1.7
121.10152	31.6
123.04459	1.6
123.08051	2.5
123.11716	15.8
125.09636	6.4
127.03074	1.6
127.03925	21.0
129.07002	1.7
130.93918	0.8
131.08565	12.4
133.06465	0.8
133.10132	31.4
135.04391	1.6
135.08060	1.3
135.11705	24.8
137.09618	2.2
137.13229	4.5
139.11221	4.8
143.08546	1.0
144.09322	1.2
145.10126	18.4
147.04413	2.6
147.11697	31.3
149.09636	1.8
149.12183	1.8
149.13278	23.8
151.11108	1.2
151.14803	1.2
153.12872	1.4
157.10112	1.6
159.11697	16.2
160.12427	1.1
161.13258	28.7
163.03802	1.0
163.11243	1.1
163.14816	12.9
165.12794	2.4
171.11676	1.4
173.13278	13.8
175.14830	18.1
177.12717	0.9
177.16357	4.4
179.14377	2.3
187.14827	7.1
189.16399	14.3
191.17900	3.1
193.04922	1.8
193.15849	3.6
195.17537	1.2
201.16397	9.9
203.03401	4.1
203.17924	4.1
207.17456	2.8
215.17969	10.3
217.19542	2.1
219.17355	1.8
229.19534	2.5
231.21112	2.6
233.18971	3.0
243.21121	1.1
245.08138	4.3
271.24207	19.6
289.05966	2.6
289.10849	11.5
289.14560	2.4
289.18417	4.6
289.25269	100.0
290.25510	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05513	16.3
57.03424	1.5
57.07071	5.8
58.40972	1.1
60.50198	1.2
65.03941	2.4
67.05169	2.2
67.05507	32.6
69.03420	1.6
69.06721	1.6
69.07067	24.9
70.90468	3.3
71.04024	1.1
71.08629	2.1
74.96263	1.2
79.05498	18.1
81.07059	79.0
83.08619	8.1
85.06550	16.5
91.05478	17.1
93.07046	39.3
95.04948	1.4
95.08610	63.3
97.06539	3.6
97.10168	6.3
98.98447	1.9
99.08096	11.0
100.73724	1.2
105.07033	34.3
107.08597	37.7
109.09459	2.3
109.10162	36.9
111.08069	3.2
111.11748	2.1
113.09650	3.1
117.07011	4.2
119.08583	37.0
121.06514	12.4
121.10149	32.0
123.08076	1.7
123.11718	13.6
125.09639	5.2
127.03918	12.8
131.08575	11.6
133.10141	29.1
135.04362	1.5
135.08171	1.2
135.11699	25.4
137.09514	2.3
137.13243	3.3
139.11177	3.9
145.10126	18.4
147.11693	27.8
149.13251	21.3
151.11139	1.3
151.14763	1.9
153.01836	4.8
157.80060	1.3
158.96078	5.1
159.11693	18.7
161.13252	27.2
163.03899	3.3
163.14812	12.2
165.12686	2.4
173.13251	11.8
173.81842	1.2
175.14841	17.1
176.97145	8.4
177.16380	3.3
179.14363	3.0
187.00847	1.4
187.14833	8.3
189.16400	13.1
191.17987	3.1
193.15886	3.1
201.16357	7.5
203.17982	3.4
205.00287	2.1
207.17467	3.4
215.17989	9.3
217.19559	1.9
229.19643	3.8
231.21037	3.4
233.03314	2.5
233.19073	2.9
243.21104	2.1
271.24231	19.1
289.06506	3.6
289.10406	2.5
289.25278	100.0
290.25613	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
51.96988	1.2
53.03927	2.6
55.01880	1.3
55.05507	14.9
57.03447	1.4
57.07080	7.8
58.27435	1.5
65.03934	2.2
67.05172	2.2
67.05505	34.2
68.29926	1.4
69.03422	2.9
69.06713	2.2
69.07069	30.1
70.73112	3.2
71.04987	2.4
71.08655	1.4
79.05497	22.2
81.07057	78.0
83.08620	10.5
85.06535	16.2
91.01539	1.4
91.05481	21.1
93.07043	43.9
95.04966	3.7
95.08605	64.7
95.18497	1.2
97.02898	2.3
97.06499	3.7
97.10166	6.0
99.04447	2.3
99.08073	7.2
105.07027	44.1
107.08596	38.2
109.02945	1.4
109.06548	2.5
109.09457	2.2
109.10159	35.3
111.08063	4.5
111.11693	3.4
113.09612	3.6
117.06998	5.1
119.08576	36.4
121.06524	6.4
121.10139	32.1
123.08057	1.4
123.11732	14.9
125.09621	4.4
127.03918	30.8
127.11134	1.5
129.43854	1.3
131.08545	12.1
131.52068	1.2
133.10124	29.1
135.04381	1.7
135.11703	26.2
137.13252	5.2
139.11172	4.9
141.77251	1.4
145.10120	20.6
147.11688	34.5
149.13269	22.0
153.01799	4.9
157.10115	1.8
159.11691	21.4
161.13246	29.6
163.03894	2.7
163.14838	12.1
165.12798	1.9
173.13300	14.4
175.14839	13.7
177.16370	5.4
179.14297	2.8
187.14781	8.4
189.16403	11.2
191.17860	3.1
193.15871	1.8
201.12663	1.5
201.16368	4.9
202.39899	1.5
203.17886	3.3
205.15932	1.9
215.17941	10.6
217.19548	3.4
219.17410	1.8
229.19463	1.7
231.21075	2.0
233.19093	3.1
271.24207	16.6
289.06845	4.7
289.25247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2164
Annotation	Pipataline
Peak:m/z	Relative Intensity
52.27552	1.7
53.03942	1.8
55.05259	1.5
55.05515	19.5
59.04998	2.2
59.17006	1.5
65.03912	2.2
67.05507	22.0
69.03355	1.4
69.07074	17.5
70.17842	2.5
70.18181	4.9
73.06550	2.3
79.05495	19.8
81.07059	24.9
83.04971	1.9
83.08623	12.1
84.29499	1.2
85.06541	5.6
91.05485	50.2
93.07050	20.0
95.04967	1.3
95.08614	23.5
95.97698	1.3
97.10151	1.4
98.21579	1.5
103.05453	1.5
105.07037	63.1
107.08590	12.5
109.06547	1.9
109.10146	7.9
111.08137	2.1
117.07011	18.4
119.08591	66.4
121.10130	7.4
125.09653	1.5
127.03925	23.0
129.06987	3.9
131.08559	19.3
133.10126	30.7
135.08046	2.0
135.11734	2.8
141.06976	2.5
143.08517	4.3
145.10141	26.3
146.10980	1.4
147.11691	35.0
149.09641	3.6
155.08557	1.7
157.10150	10.0
159.11708	34.6
161.06000	4.5
161.09596	2.7
161.13268	20.1
163.11206	1.9
165.01839	2.3
169.10129	5.9
171.11703	4.9
173.09688	2.1
173.13260	18.3
175.14806	3.9
183.11739	5.0
185.13278	1.9
187.11111	2.2
189.12788	2.1
197.13240	5.0
201.12791	2.3
211.14790	2.5
215.14534	1.8
215.17976	4.2
229.19531	3.8
239.17955	14.1
257.18991	20.7
289.21643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
55.05503	1.3
57.07078	4.0
65.87233	0.4
67.05497	1.4
67.82567	0.3
69.07063	0.9
69.95830	1.4
70.06582	0.9
71.05001	2.3
73.78300	0.4
82.06570	1.2
83.04977	1.6
83.56947	0.3
84.08146	0.6
85.06063	0.7
85.06548	11.4
85.82116	0.4
88.07632	0.5
93.52752	0.4
95.04967	1.0
96.04482	1.0
98.97571	0.6
100.07625	22.6
101.05996	0.7
104.83853	0.4
110.06038	0.9
111.08046	0.5
112.07607	7.1
113.06013	11.9
113.09657	1.1
124.07627	0.7
125.06023	2.0
130.08652	3.4
152.10709	6.2
160.09695	0.6
166.12294	10.9
166.13747	0.5
184.09734	1.0
194.11781	5.2
212.12839	9.7
230.13887	100.0
231.14320	0.9
277.84860	0.4
289.17587	13.3
289.21152	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90722	0.2
55.01828	1.6
55.05464	1.1
57.03413	0.6
57.07025	4.3
58.06548	1.1
67.05509	2.2
69.07021	0.9
69.36739	1.2
69.37170	0.9
70.06564	0.6
71.04996	3.3
72.04485	0.6
72.08112	0.6
82.06587	1.3
83.04980	1.9
84.08091	0.8
85.02883	0.4
85.06549	14.3
85.07051	0.5
88.07639	2.2
94.06519	0.5
95.04974	1.4
96.04447	0.7
96.08078	0.6
97.02852	0.3
98.09637	0.4
99.08070	0.3
100.03905	0.3
100.07625	25.2
101.05965	1.0
107.62455	0.2
110.06046	1.3
111.08083	0.4
112.07612	11.0
113.06011	12.5
113.09588	0.9
124.07554	0.9
125.05986	1.8
128.07164	0.3
130.08656	5.9
131.07027	0.3
138.05504	0.3
138.09117	0.6
142.08595	0.8
148.11142	0.4
152.10721	7.8
160.09679	0.7
166.08612	0.7
166.12291	11.3
184.09709	2.8
194.11786	5.7
202.10759	0.4
205.48222	0.3
207.55080	0.3
212.12831	10.1
230.13884	100.0
231.14357	0.4
289.17639	33.6
289.21234	4.7
290.17871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
53.99475	1.3
54.32535	1.5
55.01871	4.4
55.05507	6.7
56.96558	6.0
57.07085	1.5
61.02925	2.4
62.28785	1.3
67.05504	13.7
69.03420	4.9
69.07084	10.0
69.55019	8.2
71.04975	4.7
74.62977	1.5
79.05491	14.5
81.03407	3.7
81.07061	28.9
83.04974	8.0
83.08630	2.7
84.04510	14.0
84.08121	1.6
85.02905	8.4
85.06540	6.4
91.05495	12.5
93.07050	30.4
95.04987	8.2
95.08618	20.2
97.02881	2.7
97.06533	16.3
98.97594	3.3
99.04446	10.1
99.08084	2.3
100.07607	1.6
103.03962	2.1
105.07037	19.2
107.04962	6.3
107.08609	14.6
109.02871	2.4
109.06524	12.0
109.10158	7.2
110.01218	1.7
111.04435	1.6
111.08102	11.0
113.06013	3.1
117.07043	2.0
119.08588	13.2
120.48488	1.5
121.05652	2.1
121.06523	36.2
121.10166	7.6
123.04422	3.5
123.08027	2.8
123.11737	8.1
125.05994	5.8
126.05576	1.5
127.03928	100.0
127.07532	4.4
129.07022	2.3
131.08549	4.9
133.06490	3.6
133.10155	11.1
135.04410	3.8
135.05701	1.5
135.08070	4.8
135.11687	3.7
137.05989	3.3
139.07542	11.3
142.07822	2.3
143.07051	4.5
143.08606	2.9
145.10112	5.4
147.08066	3.2
147.10649	1.9
147.11707	22.1
149.02402	2.6
149.09630	2.1
149.13266	3.1
151.11188	3.8
153.01825	4.4
157.08653	4.5
157.10144	7.5
159.06554	3.9
159.11691	2.2
161.05980	2.6
161.13266	6.1
165.12747	5.9
169.12254	9.3
171.08064	1.6
171.11682	6.6
173.09561	2.0
175.11243	11.2
175.14716	1.5
181.10527	2.3
189.12762	10.9
193.12222	13.8
199.11345	14.8
207.13817	7.1
208.12234	2.7
211.13301	11.4
215.07159	1.9
217.08934	1.6
217.12273	37.2
227.06989	2.6
228.04143	1.8
229.14305	8.2
229.16357	1.6
230.13818	8.8
235.13313	34.7
243.06456	4.0
245.08047	2.8
253.14369	18.1
265.13843	3.2
271.06195	2.8
271.14111	2.5
280.14224	3.0
289.06042	10.5
289.11774	3.2
289.14999	5.1
289.18076	3.7
289.25323	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	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01873	4.6
55.05508	6.5
56.96569	2.5
57.03428	2.6
57.07079	2.1
65.03941	3.2
67.05512	10.1
69.03436	5.7
69.07069	10.5
71.05006	8.6
71.22526	2.1
75.52227	1.4
79.05492	15.8
81.03406	4.5
81.07064	28.8
83.04996	10.8
83.08621	3.6
84.04507	4.0
84.42142	1.4
85.02912	6.8
85.06547	8.7
86.09731	1.9
91.05476	13.5
93.07047	31.6
95.04964	10.3
95.08609	24.7
96.29910	1.4
97.02899	4.5
97.06540	14.6
98.20706	1.2
98.97603	5.3
99.04469	13.6
99.08092	2.4
100.07629	4.3
105.03387	1.5
105.07029	23.3
107.04958	26.4
107.08581	12.2
108.05276	1.4
109.02870	1.8
109.06525	17.9
109.10159	6.7
111.00897	1.4
111.04454	3.9
111.08106	12.2
112.07585	1.8
113.06007	4.2
116.98614	2.0
117.06976	3.7
119.01997	3.0
119.04900	1.5
119.08592	11.7
121.02863	5.5
121.06513	42.4
121.10144	5.0
123.04427	6.7
123.08035	4.3
123.11674	3.8
125.06021	9.4
127.03927	100.0
127.07552	5.4
128.06284	1.8
129.07025	4.8
130.06499	4.0
131.04974	2.1
131.08575	5.8
132.04367	2.7
133.06480	3.5
133.10141	12.0
135.04416	3.8
135.08102	9.7
136.08812	2.1
137.05966	4.5
139.03940	2.4
139.07561	13.3
142.07742	1.8
143.07065	4.7
143.08540	3.5
145.10138	4.8
147.04482	2.0
147.08112	4.2
147.11700	21.2
149.02345	22.9
149.05898	1.7
149.09628	2.3
151.07617	1.9
151.11188	4.5
153.01840	34.7
156.09396	2.6
157.07550	2.8
157.08643	4.0
157.10133	9.5
158.06003	3.2
159.06531	6.1
159.07924	3.1
159.09233	1.8
161.05988	3.2
161.13243	7.4
163.03900	4.3
163.14891	1.8
165.12769	8.1
166.12320	2.0
167.03409	3.6
169.06505	2.5
169.12276	10.2
171.11722	7.9
173.09694	2.4
175.11162	17.1
181.10175	4.0
189.12788	11.6
193.12244	18.5
195.02870	3.7
197.05984	2.5
199.11194	15.7
207.13759	9.3
211.13310	17.2
215.07047	19.8
217.12253	50.4
225.05698	1.4
229.14342	4.8
230.13876	16.2
235.13289	41.0
243.06531	15.6
253.14362	22.0
261.53357	1.4
267.10822	1.8
271.06210	5.2
271.10907	1.7
271.14255	3.3
273.83600	1.5
289.06149	12.6
289.11826	9.7
289.18210	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	289.1548
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
55.05509	2.7
56.96549	0.6
57.03438	1.0
67.05516	3.2
69.03426	1.0
69.07079	3.8
69.99577	1.8
71.04978	0.6
79.05499	4.2
80.05012	0.6
81.03407	1.1
81.05809	0.7
81.07059	8.1
83.08615	0.8
84.96011	0.6
85.02908	1.3
85.06530	1.5
91.05482	8.1
92.06280	0.5
93.07045	5.3
94.06573	1.0
95.04974	1.9
95.08598	7.4
96.08130	2.6
97.02883	0.5
97.06498	1.0
97.10168	0.8
98.20767	0.6
98.97575	1.0
103.05476	0.6
104.04987	0.5
105.05738	0.6
105.07040	4.6
106.06557	2.0
107.04961	1.4
107.08613	4.8
108.08123	1.2
109.06524	0.9
109.10158	4.3
111.04414	0.5
111.08034	0.6
113.06025	0.7
116.05004	0.5
117.05754	1.7
117.07040	1.2
118.06552	5.8
119.04916	0.7
119.07317	0.9
119.08579	5.5
120.08110	14.3
121.06484	1.7
121.10146	3.1
123.08050	0.6
123.11707	1.7
124.07604	9.9
125.09619	1.2
126.05461	0.5
126.09166	1.0
127.03925	13.4
129.06958	0.5
131.08565	1.5
133.06543	0.6
133.10133	2.8
134.06039	5.5
135.04366	1.0
135.06798	0.5
135.08046	1.4
135.11667	2.5
136.07593	5.6
137.05936	0.7
138.05492	2.6
138.09201	0.6
145.10219	2.7
146.06017	6.7
147.06769	1.8
147.07948	0.7
147.11676	2.2
148.07567	10.6
148.08716	1.0
149.09547	0.5
149.13235	2.6
150.09180	1.3
152.07159	1.1
153.01807	1.2
157.10110	1.2
159.08148	2.3
159.11703	1.7
161.06023	1.4
161.13232	1.6
163.14810	1.0
164.07076	100.0
165.07680	1.0
166.08629	3.2
169.10152	0.8
173.13266	1.2
175.14867	1.7
177.12692	0.5
189.16385	0.6
201.16325	1.1
214.11096	0.6
215.15527	1.4
215.17854	0.6
216.10263	2.2
220.45409	0.6
226.12204	1.2
229.13367	1.2
231.17381	0.6
243.14957	5.1
245.16566	2.3
253.13370	1.5
253.15862	0.7
254.11940	1.2
271.14438	22.9
271.16885	1.0
271.20618	0.7
271.24176	1.5
289.06076	3.3
289.15460	69.2
289.17966	3.3
289.21991	1.4
289.25171	8.1
290.15753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01875	1.2
55.05505	1.8
56.96572	2.5
57.03429	1.4
57.07068	1.8
58.06593	0.8
59.05014	0.5
61.02921	1.7
67.05497	1.3
68.17973	0.4
69.03438	2.6
69.07067	1.1
70.06592	3.2
71.04990	3.4
71.06930	1.1
71.57392	0.6
72.08152	1.3
73.02906	0.5
79.05495	1.0
81.03411	1.1
81.04519	1.2
81.07052	1.8
82.05311	0.7
82.06580	1.4
82.70116	0.5
83.04966	2.3
84.04482	0.5
84.08141	1.5
84.96023	0.4
85.02911	5.5
85.06547	10.0
85.07065	0.6
85.08929	0.5
86.06064	0.4
86.09744	0.4
87.04459	0.6
88.07668	0.5
90.07851	0.4
91.03939	0.5
94.06567	0.7
95.04977	1.2
95.06075	2.3
96.04462	0.6
96.08118	0.6
97.02900	2.7
97.06516	0.6
98.09724	0.5
98.97584	3.4
99.04459	0.9
99.08104	0.6
100.07619	12.8
100.08266	0.8
101.06043	0.7
107.04976	0.5
108.08173	0.4
108.97865	0.4
109.02892	1.3
110.06098	0.4
110.97604	0.7
111.04439	0.7
111.05575	4.5
112.07607	7.2
113.06006	7.1
113.07962	0.5
116.98619	0.9
120.08128	0.4
123.05576	4.9
123.06400	0.8
124.07623	1.2
125.05982	1.3
127.03919	100.0
128.07056	0.5
128.10728	3.0
128.98598	0.6
130.06517	2.8
130.08659	2.4
131.01900	0.5
131.07021	0.5
140.07013	0.4
141.06590	8.0
142.08643	3.4
144.10150	0.5
145.04916	0.6
152.10709	4.6
156.10202	0.6
157.07625	5.3
158.06046	1.8
159.06583	0.4
159.09178	0.6
160.09703	2.1
161.06113	0.5
166.12308	5.2
177.00652	0.6
182.24982	0.4
188.12932	0.5
194.11794	2.8
199.08203	0.6
203.08199	2.4
209.12973	0.6
212.12849	5.6
219.01804	0.8
221.12848	1.4
224.84279	0.4
230.13885	50.8
237.02876	0.9
239.13789	2.2
241.15405	0.8
244.15508	0.9
245.09286	0.6
253.15559	0.5
257.15057	1.4
271.07166	1.1
271.10110	0.5
271.16519	8.0
280.07086	0.4
289.12585	41.7
289.17664	13.9
289.21219	2.4
290.12759	0.4
296.56085	0.4
314.05173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1072
Annotation	Asperflavin
Peak:m/z	Relative Intensity
51.02388	0.9
52.26769	0.7
53.03940	1.8
55.01862	1.1
55.03130	0.6
55.05510	2.3
62.32458	0.6
65.03918	0.8
67.05496	2.3
67.40549	0.7
69.03419	0.9
69.07081	1.7
71.04987	0.9
71.56441	1.0
71.60768	0.7
77.03938	1.0
79.05496	8.1
81.03459	0.8
81.07061	4.1
83.08595	1.1
85.02919	1.1
85.06576	0.7
91.05489	21.8
93.07051	3.1
95.04977	2.1
95.08610	2.7
100.13514	0.7
103.05473	9.2
105.03442	3.9
105.07038	100.0
106.07375	1.0
107.04957	3.0
107.08627	2.1
109.06498	1.3
109.10178	1.5
117.06985	0.8
117.75650	0.6
119.04940	0.8
119.08584	3.9
121.06519	1.1
121.10117	1.0
123.04475	0.8
127.03933	18.1
129.07048	1.0
131.04935	1.9
131.08612	1.8
133.02792	5.3
133.10132	3.4
134.03656	1.8
135.04382	1.5
135.11632	1.0
137.05978	8.5
138.03146	1.0
139.03944	3.3
141.07001	1.2
143.08614	0.7
145.10141	2.2
147.11676	2.7
150.03152	2.7
151.03865	1.0
152.04701	2.0
153.05516	6.0
153.06673	0.9
155.08557	1.9
159.11711	1.2
161.06003	2.8
161.13292	1.0
163.11223	0.9
165.01849	2.4
165.05516	53.1
165.07027	9.1
167.03401	2.7
167.07072	7.0
179.03418	0.9
179.08635	1.2
180.04205	2.7
182.07289	2.2
183.02879	1.7
183.08025	4.3
193.04974	68.4
195.07993	0.8
197.09677	1.0
210.06764	1.9
211.05937	3.6
211.07684	3.0
221.06079	1.1
225.09177	1.9
238.06334	3.0
243.10265	2.5
245.11790	2.4
253.08696	2.0
256.07309	1.9
257.19128	1.9
271.09665	86.9
272.10022	1.6
289.06567	0.7
289.10776	3.8
289.15277	1.2
289.18427	1.2
289.21710	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03940	0.7
55.01865	0.4
55.51245	0.2
57.03429	0.4
61.02913	0.9
67.27235	0.2
69.03429	1.7
69.68581	1.3
71.04993	0.3
73.02907	0.2
81.03416	0.8
82.37033	0.2
85.02910	4.8
85.06535	0.2
87.04482	0.2
96.88326	0.2
97.02898	1.5
98.20802	0.4
98.97601	0.3
99.04489	0.2
100.07630	0.2
109.02887	0.8
111.39378	0.2
112.07619	0.2
127.03925	100.0
128.04256	0.8
140.77341	0.2
141.04057	0.2
145.04953	0.9
155.48657	0.2
206.10406	0.2
230.13918	1.1
279.08276	0.2
289.12698	1.2
289.17706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1071
Annotation	11b-Hydroxy-1-dihydromedicarpin
Peak:m/z	Relative Intensity
55.01868	0.3
55.05501	0.1
57.94151	0.1
67.05489	0.3
68.99773	0.2
69.27933	1.1
79.05490	0.4
79.76919	0.1
81.03396	0.2
81.07057	0.6
83.04984	0.3
85.02890	0.2
91.05475	0.5
93.07056	0.2
95.04974	0.5
95.08622	0.3
97.02898	0.1
98.20769	0.3
98.49856	0.1
99.04465	1.5
103.05502	0.1
105.07037	0.6
107.04958	0.2
109.06528	0.5
109.10165	0.1
111.04433	0.3
118.04152	1.8
119.04932	0.3
119.08598	0.2
120.08112	0.1
121.06510	0.8
121.10106	0.2
123.04414	0.3
127.03912	2.3
131.04956	0.2
131.08636	0.1
133.06531	0.2
135.04385	0.2
135.08054	0.4
135.64124	0.1
137.04988	0.2
137.05981	3.4
144.05673	0.2
145.06499	0.2
146.03636	3.5
147.04404	0.4
148.05095	0.1
149.05971	0.9
158.07234	0.1
159.08070	0.3
161.05984	100.0
162.06348	0.6
163.07562	1.3
164.07045	0.7
165.05518	0.1
165.07002	0.2
167.08646	0.1
171.08061	0.2
172.05261	0.2
174.06743	0.6
175.07556	0.4
185.06050	0.1
186.06783	0.3
187.07564	3.1
189.05486	0.3
199.07578	0.2
201.05605	0.2
201.09148	0.8
211.07523	0.3
214.64323	0.1
215.10756	0.3
225.09088	0.7
225.68816	0.1
227.06860	0.1
227.10495	0.1
228.07727	0.1
229.08629	1.0
239.07156	0.1
243.10188	1.2
245.08266	0.1
253.08545	0.3
261.11218	0.1
271.09665	6.1
271.23956	0.1
289.10721	7.4
289.15610	0.5
289.25150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01878	0.7
55.05512	0.6
56.96566	1.1
57.03432	1.0
57.07079	0.7
58.62751	0.3
59.14993	0.3
61.02937	1.4
67.05517	0.7
69.03435	2.2
69.07091	0.4
70.06591	1.7
70.66885	0.6
70.67224	0.5
70.78589	0.3
71.05016	1.4
72.08163	0.7
73.02914	0.5
75.73682	0.3
81.03412	1.6
81.04568	0.5
81.07076	0.7
82.05313	0.4
82.06542	0.3
83.05002	0.6
84.04507	0.5
84.08154	0.8
85.02915	5.4
85.06554	2.4
86.09734	0.4
87.04478	0.6
90.44530	0.3
91.03922	0.5
91.05467	0.3
93.07060	0.3
95.06086	1.2
96.34830	0.2
97.02899	2.1
98.97597	1.8
99.04465	0.8
100.07626	3.9
109.02890	1.3
111.05555	1.8
112.07600	1.9
113.06004	2.4
113.09620	0.4
116.98646	0.5
123.05550	2.1
125.05999	0.6
127.03929	100.0
128.04263	0.7
128.10741	0.6
128.98611	0.4
129.07095	0.2
130.06541	0.8
130.08649	0.7
140.07118	0.3
141.06601	2.3
142.08621	0.5
143.00136	0.4
145.04961	0.7
152.10703	1.0
157.07628	1.1
158.06075	0.5
158.99728	0.4
160.09694	0.5
161.06018	0.4
166.12332	1.2
194.11841	0.7
201.00758	0.3
203.08162	0.6
206.73239	0.3
212.12845	1.9
219.01801	0.4
221.12906	0.6
227.08208	0.3
230.13895	14.5
237.02924	0.5
239.14005	1.0
241.15616	0.3
243.01772	0.6
243.07912	0.3
255.61119	0.3
261.02832	0.4
271.16562	2.8
289.12598	10.9
289.17505	3.3
289.21136	0.8
303.55069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0709
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03944	2.8
55.01875	2.7
55.05512	2.2
56.16720	1.2
56.94292	1.3
56.96564	3.0
57.03443	2.7
57.07072	3.3
57.88018	1.2
62.25076	1.4
65.03948	2.5
67.05514	2.9
68.18886	1.0
68.99797	4.4
69.03429	5.5
69.07066	1.3
70.06593	4.8
71.04996	2.7
71.15692	2.8
72.08162	4.6
73.02916	1.2
79.05505	2.5
81.03419	5.1
81.07056	3.5
82.06562	1.8
83.05000	3.8
84.04502	3.3
84.08147	6.7
85.02917	6.9
85.06539	6.0
86.09704	3.0
87.00821	2.3
91.05476	6.9
91.76104	1.1
93.07060	3.8
95.04974	3.3
97.02891	3.7
97.06532	2.4
98.97588	6.6
99.04479	2.2
100.07629	5.5
101.06026	1.2
103.05463	2.3
103.07555	1.0
105.07067	2.7
107.04964	22.4
109.02898	2.3
110.06010	1.2
111.04446	2.4
111.08136	1.1
112.07616	7.3
113.05999	8.2
114.95385	1.4
116.07088	1.6
116.98644	2.5
117.07020	2.2
119.04948	3.3
119.08561	2.2
120.08109	2.1
121.02866	9.1
122.06049	3.9
123.04406	2.8
123.06734	2.1
123.08078	1.6
124.07574	1.9
125.07962	1.9
126.06622	5.8
127.03923	40.4
129.06993	1.7
130.06534	41.1
130.08614	5.8
131.04939	3.9
131.08582	1.8
132.04459	7.2
132.08101	4.0
133.10075	2.3
135.04393	3.0
137.02342	2.4
137.05983	2.7
139.03951	1.3
141.07005	3.8
145.02846	1.8
145.06511	2.8
147.04411	2.5
147.08105	1.8
149.02348	66.6
150.02586	1.5
151.04019	1.9
151.06178	5.1
152.05132	1.4
152.10640	1.4
153.01830	21.5
157.07617	63.9
158.06023	22.0
159.04442	2.5
159.08058	1.7
159.09189	6.5
161.05879	1.6
166.12285	2.3
167.03400	1.7
168.08784	2.8
169.06471	8.1
171.02832	1.3
172.09721	2.7
173.05907	2.2
175.08698	5.2
181.06503	1.4
184.07608	2.0
185.07169	7.6
187.07585	3.9
197.05777	7.2
199.08762	2.9
200.07100	1.5
201.06813	1.7
201.10242	1.7
203.08174	47.6
212.12767	2.6
215.07036	80.7
219.01845	1.7
225.06638	4.3
227.08147	4.9
230.13875	20.5
237.02834	1.6
243.06523	100.0
245.09306	9.9
247.11945	2.5
253.04927	2.5
261.11310	1.4
271.06229	33.0
271.10706	4.1
271.16666	1.6
271.19980	1.3
289.06073	11.5
289.08380	7.2
289.11768	8.4
289.14532	2.5
289.17798	6.7
289.21237	6.1
304.27536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03943	1.3
55.05511	1.4
56.96525	0.9
57.03435	3.5
63.22109	1.1
65.03957	2.1
67.05499	2.4
68.99801	3.1
69.03436	5.8
69.07062	1.7
71.04991	1.6
71.58218	1.7
79.05492	3.1
81.03425	3.0
81.07066	3.5
84.08131	1.1
85.02919	10.9
85.06543	3.2
91.05508	7.4
93.07049	3.0
95.04969	2.6
95.08624	2.7
97.02890	4.9
97.06534	1.9
98.97598	1.9
99.04449	1.8
100.07604	3.2
103.05442	1.6
105.07044	3.0
107.04964	20.7
107.08587	1.2
109.02915	1.8
109.06519	3.0
109.10172	2.0
111.04439	1.4
111.08093	1.3
112.07550	1.6
112.29787	1.1
115.05453	1.4
117.06956	1.6
119.04929	2.8
119.08595	1.7
121.02869	10.4
121.06537	2.0
121.10115	2.0
123.04408	1.3
123.08057	1.6
125.09651	2.0
127.03925	42.0
127.11214	1.1
131.04939	1.4
131.08554	1.4
133.06535	1.2
133.10170	1.4
135.04425	2.3
141.07013	5.5
145.02863	1.7
145.04932	1.3
145.06558	1.2
147.04425	1.7
147.08046	2.8
147.11714	1.4
149.02356	63.7
149.09592	1.2
152.10764	1.2
153.01851	19.1
153.07068	1.6
159.04427	1.6
159.08104	1.5
159.11784	1.2
163.03864	2.5
165.01837	1.2
167.03482	1.7
169.06493	5.3
171.02824	1.6
173.06055	1.0
173.09531	1.0
181.06509	1.4
187.03937	1.5
187.07536	1.8
196.10013	1.4
197.05920	7.9
215.07039	76.9
216.07613	1.4
225.05357	1.8
230.13928	9.6
243.06557	100.0
253.05104	1.8
271.06067	36.3
271.10825	3.1
271.14444	1.3
289.07202	5.0
289.11966	2.3
289.16003	7.9
289.18375	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
51.27070	0.4
53.03942	0.5
55.01858	0.7
55.05487	1.8
57.07059	0.9
65.03942	0.6
67.01868	2.9
67.05511	2.8
68.99795	2.6
69.03407	2.1
69.07047	2.2
70.03012	1.4
70.03403	0.9
70.17107	0.5
79.05495	4.1
81.03410	0.6
81.07061	6.6
83.08589	0.9
85.06512	1.6
89.03493	0.5
89.03926	5.5
91.05474	2.0
93.03378	1.0
93.07068	3.7
95.04963	1.1
95.08628	4.9
97.02871	1.0
97.06505	1.8
99.08107	0.5
105.07055	3.9
107.04926	2.0
107.08600	3.2
109.10161	3.6
111.00819	3.1
111.04425	1.8
117.03381	8.8
119.08614	2.6
121.06473	0.7
121.10144	3.7
123.04459	4.6
123.11677	1.7
127.03925	5.0
131.04994	0.5
131.08591	0.7
133.10121	1.8
135.04428	16.0
135.11697	2.6
137.02280	0.7
137.05939	0.6
139.03931	1.8
145.02853	10.4
145.10135	1.4
147.11697	1.9
149.13322	2.6
151.03867	1.2
153.01839	100.0
154.02167	1.3
155.02283	0.8
157.18425	0.5
159.04446	1.4
159.11679	1.8
161.06059	0.7
161.13290	2.3
163.03915	56.1
163.14838	1.1
164.04279	0.7
171.02876	1.7
173.13327	0.6
175.14880	1.2
179.03386	5.0
187.03905	2.5
187.14893	0.7
189.16301	0.7
195.43936	0.5
203.03372	0.9
205.05025	1.6
215.17982	0.8
230.13922	0.6
231.21239	0.6
251.82220	0.6
260.96045	0.5
271.06097	2.2
271.24335	1.6
289.07068	71.9
289.25256	6.9
290.07431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.3
56.05035	2.2
56.96577	2.0
60.04522	2.4
60.05656	1.8
68.99780	1.7
69.03423	3.0
69.07050	2.5
69.90399	5.6
70.02948	3.2
70.06597	12.6
72.08146	4.7
74.02446	19.9
74.06037	1.2
79.05488	1.9
81.03419	1.3
81.07041	2.5
83.05048	1.0
84.04520	2.4
84.08150	7.3
85.02898	3.6
85.06510	1.2
86.09711	100.0
87.05595	32.1
88.03999	7.3
91.05461	2.1
93.07036	1.2
95.04945	1.1
95.08597	1.2
96.08136	1.3
97.02869	1.8
98.97577	4.5
99.04487	2.2
107.04968	2.4
109.02900	1.5
109.06553	1.6
109.93543	1.0
110.06049	1.3
112.07587	2.5
113.06003	1.4
116.03455	7.0
116.07105	2.4
116.98598	2.2
121.02866	4.3
122.03175	2.0
123.04407	1.3
123.31781	0.9
124.07580	4.2
126.09109	1.0
127.03915	7.3
128.10727	39.5
128.98636	1.4
129.10266	1.4
130.06540	4.4
131.04904	1.9
133.06097	97.3
134.99672	1.4
137.02394	1.8
137.06001	2.0
138.09135	1.3
149.00447	1.6
149.02342	1.2
153.01859	5.7
153.06966	1.1
154.02191	5.0
156.10201	11.2
157.07623	10.9
158.06012	2.9
175.11897	3.2
179.08533	2.9
185.07262	1.9
195.07913	1.2
203.08228	5.3
207.08098	2.0
214.05710	2.1
215.07018	1.2
218.58612	1.0
219.90657	1.1
222.11421	1.2
227.07997	1.4
227.70566	1.1
229.08583	2.8
229.15469	1.9
232.06903	1.1
237.02812	1.4
242.11867	2.6
245.09386	1.2
259.05472	1.5
270.13531	1.7
271.07175	2.0
271.17413	1.5
288.05856	89.7
288.14648	2.0
288.20468	7.4
289.08362	1.2
289.11710	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	287.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01864	1.1
55.05515	4.4
56.96568	3.3
57.07070	1.2
61.02903	0.5
67.05497	0.9
69.03439	2.3
69.84660	1.8
70.06582	0.8
71.04997	0.9
73.02901	1.0
73.06537	0.8
80.04993	0.5
81.03410	1.0
82.06581	4.5
83.04982	10.3
84.04485	0.7
85.02905	2.6
85.06560	1.0
87.04461	0.9
97.02879	3.1
98.03098	0.8
98.06061	2.2
98.20746	0.8
98.97599	3.8
100.07617	6.0
101.06005	2.3
110.01328	0.4
110.06061	3.2
110.97560	0.4
111.04433	3.6
111.08106	1.1
112.03980	4.2
112.07603	0.8
112.94086	0.5
113.06000	0.6
115.00724	1.1
116.98629	1.2
119.01783	1.1
122.09695	0.7
126.09174	0.9
127.03951	0.6
128.07080	4.3
129.05478	3.3
131.00159	0.5
138.09142	1.6
140.07111	0.7
144.98059	0.4
145.04947	0.5
150.09166	7.0
155.04675	0.9
156.10196	0.6
158.99657	0.9
159.03276	1.7
161.04626	2.5
164.05161	0.5
164.10721	1.7
168.10205	25.8
170.05186	5.5
172.94339	0.7
174.60001	0.5
177.00726	0.5
177.04349	2.1
182.11784	1.0
192.10181	5.0
195.05457	1.0
206.08072	3.5
210.11270	42.3
211.11552	0.6
219.01822	0.6
227.08675	0.7
228.12315	100.0
229.12639	1.2
242.07368	1.5
242.19446	0.5
287.10840	2.7
287.16058	1.7
287.19666	5.7
292.44443	0.5
309.08365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
56.96551	1.1
57.07057	0.7
60.04515	0.5
65.03928	1.2
65.31892	0.6
67.05496	3.1
68.99782	2.4
69.03419	1.9
69.07074	10.1
69.77272	3.3
70.06580	3.5
71.04980	1.7
77.03941	0.6
78.04731	0.7
79.05500	2.9
80.05010	1.6
81.03416	1.4
81.07050	2.0
82.06580	1.3
83.04969	0.7
84.04469	0.8
84.08150	1.1
86.06063	1.6
86.09704	2.0
91.05476	6.1
93.05772	2.5
93.07027	2.0
93.46265	0.6
94.06573	8.8
95.04971	2.9
95.08592	1.3
97.02868	1.4
97.06535	4.1
98.21455	1.2
98.97560	1.9
100.07610	0.6
103.05476	1.2
104.05002	2.8
105.03408	1.0
105.05756	0.8
106.06554	0.7
107.04932	2.0
107.08585	1.1
109.02862	0.8
109.06480	0.7
110.06054	4.7
111.00802	2.1
111.04462	1.1
112.07613	1.7
113.29773	0.5
116.04967	1.4
117.05749	1.1
117.06976	1.2
118.06547	64.7
119.05016	0.7
119.07340	10.3
119.08616	1.1
120.08131	5.8
121.02870	7.3
121.06513	0.6
121.10175	0.8
122.06033	14.6
123.04446	0.6
124.07590	2.3
125.05952	0.9
125.09576	0.6
128.06197	1.3
128.07082	9.2
128.08086	1.0
129.06975	0.7
131.04961	0.7
131.08604	0.7
132.08089	1.1
133.02855	0.8
133.10191	0.7
134.06088	1.3
135.04414	0.9
137.02376	3.4
137.05995	1.7
140.07062	12.4
142.08635	1.7
143.08592	0.7
144.08069	1.7
145.10100	0.8
146.06018	21.2
147.04414	1.7
147.06810	17.2
147.07993	1.2
148.07579	27.6
149.05991	2.2
153.01833	11.4
153.05473	1.3
153.13872	0.9
156.07925	1.2
157.06453	1.7
158.09628	2.0
158.99657	0.8
160.88327	0.7
161.05956	0.7
164.07069	4.0
165.01839	4.0
167.06006	0.8
168.08110	1.5
170.09665	1.1
171.04395	1.3
171.07893	0.7
171.10399	1.8
172.11172	1.1
174.05486	0.8
174.08919	3.6
177.05424	0.8
181.08881	1.1
182.09647	0.8
182.11877	0.7
183.02887	1.7
183.10451	0.6
185.07195	3.1
186.09140	2.0
188.10692	2.1
189.11472	2.7
196.11227	1.7
198.09184	0.8
198.12869	1.5
199.03987	0.7
199.09912	2.6
209.08336	0.7
210.09068	0.6
211.09993	0.9
213.05228	1.3
213.06847	1.3
213.11685	1.0
213.13927	1.6
214.08687	0.8
214.12308	6.3
216.13841	2.4
224.10701	2.2
226.12405	4.3
227.13867	1.2
228.12415	2.6
231.06541	1.4
241.04828	1.7
241.09688	1.2
241.13289	3.8
242.11774	25.7
242.14236	1.4
243.14946	30.3
252.10191	1.0
254.10437	1.4
255.06606	0.6
258.05261	2.5
259.05963	0.9
259.09802	0.8
259.14383	2.5
269.09940	1.0
269.12799	18.3
269.15164	1.5
270.11261	33.0
271.11438	0.6
287.05511	100.0
287.10330	8.4
287.13907	24.7
287.16934	4.9
288.05832	2.4
305.14957	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	287.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
55.01859	0.8
55.05512	1.2
56.05024	0.4
56.96568	1.0
57.03443	0.5
65.03941	1.6
66.04729	0.4
66.79703	0.4
67.01862	0.7
67.05513	2.4
68.05021	1.1
68.99796	2.4
69.03422	1.6
69.07067	9.4
70.06592	1.9
71.04994	0.9
72.08156	2.1
79.05500	3.7
80.05024	1.1
81.03413	1.0
81.07056	1.7
82.06564	0.7
83.04977	0.7
84.08149	3.1
85.02879	0.4
85.06522	0.5
86.06055	0.6
86.09715	1.5
91.05488	6.0
93.05794	1.3
93.07043	2.1
94.06567	9.9
95.04977	3.6
95.08597	0.6
96.04506	0.8
97.02872	1.1
97.06529	2.7
98.09680	0.5
98.97585	1.6
103.05481	1.3
104.05001	2.0
105.03381	1.1
105.07030	0.9
106.06559	0.7
107.04958	2.4
107.08569	0.5
107.73361	0.5
108.08114	0.7
109.02901	1.0
109.06529	1.1
110.06055	2.3
111.00822	1.4
111.04431	0.8
112.07608	1.3
115.05466	0.8
116.04958	2.1
116.98608	0.7
117.05766	1.6
117.07031	0.9
118.06545	58.8
119.04945	0.5
119.07337	10.4
119.08628	0.6
120.08116	5.6
121.02014	0.5
121.02877	9.0
122.06035	15.2
123.04446	0.9
123.08063	0.5
124.07570	2.2
127.03918	0.9
128.06248	0.6
128.07103	0.7
129.07011	1.2
129.10205	0.7
130.06525	1.1
131.00194	0.5
131.07315	0.9
131.08525	0.6
132.08083	0.8
133.02844	0.7
133.08853	0.7
133.10104	0.6
134.06029	1.0
135.04439	0.6
135.08087	0.5
135.09178	0.7
136.07582	0.8
137.02313	2.3
137.05972	1.7
140.05951	0.8
140.07065	16.2
141.07005	1.0
142.08640	1.9
143.07256	0.6
143.08498	0.7
144.08115	1.8
145.06485	1.0
145.10141	0.8
146.06013	19.7
147.04405	1.7
147.06793	15.3
148.07579	25.7
149.05963	0.6
151.03851	0.5
153.01834	11.2
153.05470	0.6
153.06917	0.4
154.06657	0.6
155.08514	0.6
156.08047	0.7
157.06496	1.6
158.09628	1.7
158.99664	0.8
160.07555	0.6
161.05975	0.6
163.03958	0.6
164.07085	4.5
165.01823	3.1
168.08105	0.8
170.09674	1.2
171.04457	0.6
171.10495	1.4
172.07619	1.0
172.11203	0.7
173.09613	0.6
174.05537	0.9
174.09103	2.4
177.05402	0.7
180.08037	0.6
181.08842	1.6
181.13370	0.7
182.09683	1.3
183.02921	1.8
184.07623	0.7
184.11340	0.5
185.05981	1.4
186.09161	1.7
186.12698	1.1
188.10747	2.5
189.05499	0.7
189.11497	2.9
196.11267	0.9
198.09157	1.7
198.12830	1.0
199.09979	3.4
200.07086	1.6
200.10675	0.9
206.43265	0.4
209.08220	0.5
210.09322	0.9
210.11310	0.7
211.10135	0.5
212.10834	0.8
213.05530	4.3
213.10088	0.9
213.13777	0.8
214.08829	1.0
214.12263	8.0
216.13873	1.7
219.01707	0.5
224.10716	2.7
225.10176	0.6
226.08885	0.7
226.12428	4.8
227.09660	0.7
228.12427	2.3
231.06531	1.4
231.14853	0.5
239.11827	0.5
240.10315	0.5
241.04956	2.4
241.13367	3.0
242.11766	26.9
243.14937	29.1
245.09390	2.2
251.11800	1.1
252.10196	0.9
253.09686	0.5
254.10432	1.3
258.05103	2.1
259.05847	1.1
259.14383	2.1
269.04480	1.0
269.09915	0.9
269.12848	15.8
269.15417	0.6
270.11243	33.1
271.11554	0.7
287.05515	100.0
287.10483	5.2
287.13916	21.3
287.16901	2.0
288.05905	1.8
305.14935	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	287.128
Annotation	5,3'-Dimethoxy-3,4-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.02389	0.2
53.03941	0.6
53.80787	0.1
55.01867	0.4
56.96566	0.4
57.07079	0.7
61.76901	0.1
62.06087	0.4
65.03944	0.3
67.01881	0.1
67.05518	0.4
68.99786	0.4
69.07069	0.4
69.98129	0.1
71.08627	0.2
77.03925	0.2
78.04716	0.6
79.05495	0.6
81.03423	0.4
81.07040	0.4
87.77906	0.2
91.05484	2.5
92.05807	0.2
93.07048	0.7
94.04173	0.2
95.04967	0.9
95.08630	0.4
98.20615	0.3
98.61423	0.2
98.97587	0.2
105.04517	0.3
105.07025	0.5
106.04179	0.3
107.04987	0.7
107.08598	0.3
108.05732	0.2
109.06518	0.5
109.10155	0.4
119.08569	0.2
121.06512	100.0
122.06828	0.5
123.04440	0.3
123.11707	0.5
124.05206	0.5
130.93307	0.2
131.08586	0.3
133.10147	0.2
135.04463	0.7
135.08101	0.2
135.11656	0.2
137.02373	0.4
137.05992	0.4
139.07515	1.0
141.01804	0.2
145.02895	0.2
147.11729	0.3
151.03905	0.9
153.01805	1.3
155.07143	0.2
159.11664	0.2
163.03905	4.0
163.07504	0.2
165.01814	2.0
166.02234	0.5
167.02339	0.5
167.07047	1.0
171.04254	0.2
172.49162	0.2
172.94365	0.3
179.03322	0.1
181.04919	0.3
183.02925	1.2
184.03238	0.3
185.03380	0.5
190.95482	0.4
203.07111	0.3
205.08710	0.2
208.96437	0.3
213.05295	0.2
218.54562	0.1
224.53906	0.2
231.06415	0.3
232.96501	0.3
234.05528	0.5
243.06065	0.3
245.56335	0.2
252.06578	0.3
254.56810	0.2
263.57123	0.3
269.11005	0.4
269.19101	0.2
269.30359	0.3
277.00143	0.2
283.02768	0.3
286.31094	1.0
287.05524	11.9
287.08575	0.6
287.12769	1.9
287.16397	0.9
287.20023	0.5
287.23453	0.3
287.31384	4.3
289.00528	0.2
301.03799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1279
Annotation	Diphenolic acid
Peak:m/z	Relative Intensity
51.02369	0.6
53.03946	1.5
55.05515	0.6
56.96564	2.7
65.03951	1.2
65.52855	0.6
67.05502	1.8
68.10574	0.6
68.59547	0.6
68.99792	0.7
69.03448	1.0
69.07069	2.1
69.48837	1.7
69.49264	2.8
71.04980	0.6
79.05501	8.0
81.03433	0.7
81.07026	3.1
82.27711	0.6
83.08619	0.6
91.05488	23.2
93.07058	1.9
95.04954	2.0
95.08614	2.9
97.06544	1.0
98.15169	0.7
98.97583	1.0
103.05470	8.7
105.03403	1.2
105.07036	100.0
106.07417	0.8
107.04944	1.6
107.08616	3.2
109.06540	1.0
109.10163	1.5
111.04494	1.3
115.05447	2.1
117.07024	4.6
119.04964	2.0
119.08586	1.8
121.02866	1.6
121.06498	3.5
121.10151	1.8
123.08072	0.8
128.06218	0.7
129.07024	1.7
131.04950	2.9
131.08546	0.9
133.06471	1.4
133.10176	1.3
135.04433	2.3
135.08060	2.8
135.11768	1.1
137.02335	1.5
137.05998	2.9
137.09549	0.7
140.26680	0.6
141.06995	1.5
143.05003	0.8
143.08601	1.2
145.06584	1.0
145.10124	1.3
147.04410	0.8
147.08057	2.4
147.11694	0.7
149.02339	5.2
149.06012	0.8
149.18185	0.6
150.06717	0.7
151.03929	1.6
151.07544	7.6
153.01813	4.0
155.08650	0.8
157.06502	0.7
157.10162	1.1
159.11717	1.3
163.03922	2.2
163.07558	16.1
165.01779	0.8
165.05632	1.0
165.07040	3.8
165.09131	9.0
165.10481	0.8
166.07794	2.8
167.03412	6.0
167.08563	1.2
171.11679	0.7
172.94373	1.6
177.05521	0.7
178.07762	1.0
179.03261	0.7
179.08595	1.3
180.09343	1.7
181.10181	3.3
184.08861	0.7
185.06059	0.6
190.95447	1.1
191.07034	24.6
191.88797	0.6
192.09383	0.9
194.07295	1.1
195.08153	1.1
195.11784	1.6
197.09698	0.9
203.07045	2.6
207.11656	1.0
208.08833	2.8
209.08067	2.3
209.09706	2.3
210.10376	1.3
211.07619	1.1
213.05359	1.3
213.09181	0.6
223.11232	1.7
225.09178	0.9
225.12778	2.7
226.09969	2.1
231.06636	1.0
235.02913	0.7
241.12224	7.3
243.13850	12.6
243.16357	0.5
251.10696	1.5
269.11728	35.4
269.22781	0.9
286.30975	0.8
287.05518	40.9
287.08762	2.0
287.12759	12.7
287.16388	2.1
287.20081	2.1
287.23724	1.5
287.31439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1276
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
50.85139	0.6
51.54275	0.7
55.01839	0.9
56.96570	7.7
57.07040	0.8
57.10124	0.6
58.12622	0.8
67.01847	0.9
67.05465	2.5
68.99762	1.3
69.07082	4.3
70.35137	1.7
70.35532	1.5
79.05461	3.0
81.07020	3.3
83.01308	3.0
83.01744	0.7
83.04977	0.8
83.08607	1.4
91.05481	4.5
93.07035	1.8
95.04939	2.9
95.08559	2.9
98.97537	0.8
103.05468	0.9
105.07003	1.9
105.60257	0.7
107.04917	1.5
107.08580	2.0
109.06509	1.0
109.10116	1.2
115.05439	1.3
117.07018	1.6
119.08569	1.5
121.02827	3.0
121.05658	1.3
121.06515	24.7
121.10110	1.8
123.03585	1.1
123.04437	22.2
130.93329	1.5
133.02876	0.8
133.10071	1.2
134.03622	1.0
135.02629	0.7
135.04440	4.7
135.08066	1.0
137.02336	2.2
137.05971	2.4
146.07265	1.1
147.04390	2.0
147.08049	1.8
149.06049	5.9
151.03912	7.3
151.07558	11.1
153.01846	7.2
153.05612	0.8
159.11630	1.3
161.02402	0.8
161.05983	2.5
161.09644	0.9
162.03093	0.8
162.06709	1.0
163.03925	2.0
163.07550	3.2
165.01836	1.0
165.09090	1.3
167.03436	1.1
172.94363	2.5
175.07533	0.9
177.05482	99.0
177.08908	5.5
178.06204	1.6
185.06003	1.6
190.95366	3.9
193.04948	2.1
201.16385	0.8
203.07051	11.7
205.04974	100.0
206.05682	5.0
208.96471	1.7
213.05563	1.6
217.05025	1.2
219.06509	2.2
221.02708	0.9
228.55934	1.4
229.08591	1.1
231.06554	3.2
232.96501	1.8
241.12152	1.8
243.06200	1.8
244.08986	0.9
250.97679	1.4
252.06618	2.7
252.56839	0.8
263.57571	1.1
264.07388	1.0
269.08459	1.5
269.11823	3.0
269.26794	1.2
283.09683	1.0
287.05597	67.2
287.09631	3.7
287.12961	56.0
287.19882	1.9
287.23413	0.9
288.06012	1.7
288.13370	1.2
288.29074	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	3'-Hydroxydihydroformononetin
Peak:m/z	Relative Intensity
55.01871	0.3
55.05510	0.2
56.96567	0.5
57.03445	0.9
63.00043	0.1
67.01887	0.2
67.05508	0.4
68.99789	0.2
69.03436	0.2
69.07092	0.3
69.21317	0.2
69.21716	1.2
69.63341	0.1
70.82798	0.1
71.05020	0.1
78.57373	0.1
79.05489	0.7
81.07063	1.3
83.01347	0.4
83.05006	0.1
85.02909	32.2
91.05482	1.3
92.17510	0.1
93.07063	0.4
95.01325	0.7
95.04971	0.2
95.08621	0.5
98.97590	0.2
98.98506	0.1
105.03401	0.7
105.07056	0.8
107.01306	0.1
107.04964	0.4
107.08598	0.5
109.06526	1.0
109.10190	0.3
115.05453	0.2
116.06228	0.2
117.07017	0.4
119.04909	0.2
119.08585	1.6
121.02869	0.6
121.06533	0.2
121.10174	0.3
123.00825	0.4
123.11670	0.1
128.06281	0.3
129.07028	1.6
131.08568	0.5
132.05743	0.2
133.02869	1.0
133.06505	0.3
133.10164	0.4
134.06018	0.3
135.04428	0.5
135.08055	0.2
135.11688	0.2
137.02359	0.4
141.06976	0.2
142.07729	0.1
143.08537	0.2
144.05724	0.4
145.06454	0.2
145.10132	0.4
147.04433	0.5
147.08054	3.0
147.11693	0.3
149.02345	2.5
151.03931	1.0
153.01869	1.2
155.08578	0.1
157.06528	0.9
157.10161	0.2
159.08157	0.2
159.11745	0.2
160.05179	0.7
161.02353	8.5
161.05972	2.7
163.03911	1.5
165.01836	0.2
167.03433	1.2
169.07700	0.1
171.01434	0.1
172.94383	0.2
173.98599	0.1
175.03918	1.8
175.07542	1.7
176.04471	0.1
179.03419	0.3
180.24327	0.1
183.02937	0.1
185.05989	3.2
186.09209	0.2
188.04695	0.4
190.95378	0.5
193.04543	0.1
199.08722	0.2
199.12325	0.4
203.07037	100.0
204.07384	0.9
206.05743	0.2
207.59871	0.1
212.09477	0.2
213.05446	0.3
227.07097	0.2
227.11855	1.6
232.96527	0.2
252.06477	0.2
259.09091	0.1
269.08173	0.2
269.12775	0.2
269.15424	0.2
269.22528	0.2
286.63190	0.2
287.05518	12.0
287.09119	18.7
287.13754	2.0
287.19962	0.3
287.23700	0.3
288.05560	0.2
288.09464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0917
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
50.05086	0.6
55.01874	0.9
55.05494	0.8
55.48567	0.7
55.69862	0.6
56.96572	3.9
57.89752	0.7
64.68866	0.6
65.03935	2.1
67.01871	5.3
67.05502	2.1
68.99786	2.1
69.03423	1.1
69.07068	2.0
71.01358	0.8
71.14980	1.5
72.08147	0.9
79.05503	1.7
81.03423	0.9
81.07047	2.8
83.01346	2.6
83.04980	1.7
85.02906	7.4
91.05488	11.3
93.07030	3.0
95.04959	2.8
95.08604	3.5
98.97578	2.1
103.05471	1.3
105.03432	1.1
105.07021	3.1
107.04968	6.2
107.08578	2.7
109.06502	1.0
109.10157	1.8
111.00796	1.4
111.04442	4.5
116.98650	0.7
117.06992	0.8
119.04950	21.9
119.08585	3.0
121.02872	2.4
121.06493	1.8
121.10127	1.6
123.04447	3.4
123.08049	0.8
123.11689	0.6
125.05994	0.9
128.98628	0.7
129.07036	1.2
130.93286	1.1
131.04973	0.9
131.08585	1.6
132.10237	1.1
133.02835	1.2
133.06512	1.7
133.10155	1.5
135.04422	3.3
137.02335	2.9
137.05989	2.7
143.08560	0.8
144.80804	0.8
145.10143	2.3
147.04417	54.8
147.08093	1.1
147.11650	1.1
149.02312	1.8
149.09552	0.9
151.03952	0.8
153.01843	11.9
153.02979	1.3
157.06474	0.9
157.10126	1.5
159.11707	2.2
161.02345	2.5
161.05991	3.6
163.03947	1.3
165.01819	1.8
165.05589	1.3
167.03413	94.8
168.00577	1.0
168.03754	0.9
171.11748	1.4
172.94370	2.7
183.02934	4.0
185.04459	2.2
185.05908	1.1
189.05464	2.0
190.95428	3.6
193.05013	1.6
197.01196	0.7
201.16412	0.8
203.07060	17.4
213.05389	1.1
213.16365	0.7
217.08659	1.2
226.54318	1.3
227.07077	0.9
231.06404	0.9
232.96512	2.1
241.00252	3.6
241.05321	0.7
245.08018	1.1
246.38715	0.7
250.97476	1.2
258.05194	0.7
259.01257	2.7
269.08255	1.2
269.11713	0.7
269.22684	1.0
287.05557	66.9
287.09161	100.0
287.20093	2.6
287.23712	3.6
287.26901	1.0
288.09372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27783	0.1
51.02388	0.1
52.16080	0.1
53.03932	0.3
53.16427	0.1
55.01864	0.3
55.05496	0.2
56.96576	0.2
65.03954	0.6
65.04223	0.1
67.01845	0.3
67.05486	0.3
68.99435	0.1
68.99796	2.4
69.03414	0.5
69.07073	0.5
69.91637	0.5
70.06578	0.4
71.04970	0.2
72.08150	0.3
79.05499	0.6
81.03416	0.5
81.07029	0.3
82.03902	0.1
83.04977	0.2
85.02908	0.2
86.06052	0.3
86.09714	0.3
91.05476	0.5
93.03435	0.1
93.07040	0.2
94.04154	0.1
94.06577	0.3
95.01264	0.1
95.04958	0.5
97.02892	0.3
97.06529	0.2
98.20745	0.1
98.97578	0.4
103.05447	0.2
105.03386	1.0
105.07011	0.2
107.04952	1.2
107.08593	0.2
109.02882	1.0
109.06509	0.2
110.03569	0.1
110.97639	0.1
111.00812	1.5
111.04423	0.4
115.05441	0.3
117.06999	0.2
118.06535	0.5
119.04945	0.3
119.07375	0.1
121.02872	7.6
121.03906	0.3
122.06021	0.4
123.04431	0.3
125.02312	0.1
125.06018	0.2
127.03899	0.4
128.06200	0.2
128.07091	0.1
128.08192	0.2
129.07001	0.4
131.05005	0.1
133.02861	1.1
133.06517	0.1
135.04433	0.4
136.07463	0.1
137.02348	2.7
137.05991	0.2
140.07043	0.4
141.07010	0.2
142.08656	0.1
143.04900	0.1
144.08096	0.2
145.06546	0.5
146.06018	0.2
147.04410	1.6
147.06827	0.2
148.07564	0.7
151.04024	0.2
153.01836	10.9
156.07835	0.1
157.06508	1.4
158.99704	0.1
161.05992	0.4
163.03940	0.1
165.01849	3.5
168.08096	0.1
169.06404	0.2
171.03082	0.2
171.04359	0.7
173.05981	0.2
174.08797	0.5
175.03880	0.2
175.07526	0.2
177.05470	0.2
180.07988	0.2
181.13377	0.1
183.02910	1.3
183.90811	0.1
185.05975	1.3
189.05467	0.5
191.10515	0.1
194.01941	0.1
197.05908	0.2
199.03940	0.2
201.05556	0.1
203.03400	0.2
203.07030	0.3
205.59291	0.2
210.11208	0.1
211.95610	0.1
213.05484	3.1
214.08685	0.1
216.04118	0.2
217.05019	0.1
217.81320	0.1
218.18478	0.1
219.01794	0.1
224.07080	0.3
227.14000	0.2
228.12338	0.3
229.04868	0.5
231.06522	1.4
241.04953	1.6
241.09837	0.3
242.11847	0.3
243.06682	0.3
243.14944	0.3
258.05264	2.3
259.06036	0.9
269.04437	0.5
269.12787	0.5
270.04932	0.1
270.11301	0.3
287.05505	100.0
288.05847	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Fisetin
Peak:m/z	Relative Intensity
50.05664	0.1
53.03939	0.4
55.01872	0.6
55.05515	0.6
56.96566	0.2
57.03431	0.2
57.07077	0.2
58.37362	0.2
59.74670	0.2
61.02893	0.2
65.03944	0.3
67.01860	1.1
67.05493	0.9
68.99789	2.6
69.03399	0.3
69.07080	0.8
69.33575	1.1
76.47392	0.2
77.03944	0.2
79.05492	0.7
81.03419	0.4
81.07069	1.3
83.05018	0.2
83.08604	0.3
89.03931	1.4
91.05492	0.8
92.50262	0.2
93.07060	0.8
95.01353	0.2
95.04974	0.6
95.08609	0.8
97.02906	0.3
98.97601	0.5
103.05480	0.4
105.03412	1.2
105.07045	1.0
107.04958	0.8
107.08593	0.8
109.02893	0.5
109.06502	0.3
109.10166	0.7
111.00798	1.0
111.04447	0.5
115.05466	0.6
116.98620	0.2
117.03402	0.5
117.07023	0.5
119.04946	0.4
119.08576	0.8
121.02882	2.4
121.06518	0.2
121.10154	0.6
123.00790	0.6
123.04431	0.4
123.11733	0.2
125.09666	0.2
128.06233	0.3
129.03275	0.2
129.06996	0.7
131.04955	0.9
131.08553	0.5
133.02838	0.5
133.10178	0.8
135.04419	1.4
135.08046	0.3
135.11671	0.3
136.07611	0.3
137.02350	1.8
139.05470	0.3
141.07034	0.3
143.04965	0.2
143.08546	0.3
145.06538	0.5
145.10135	0.7
147.04417	1.3
147.08104	0.2
147.11725	0.4
149.02328	2.2
149.13252	0.2
150.03043	0.2
151.03909	1.2
153.01836	15.4
154.04965	0.2
157.02834	0.3
157.06496	1.1
157.10161	0.5
159.11690	0.4
161.02348	2.0
161.06004	0.5
161.13268	0.2
163.03912	0.5
165.01839	1.0
168.05705	0.2
169.06470	0.3
171.02902	0.6
171.04434	0.7
171.11717	0.5
173.13306	0.4
175.03944	0.4
175.07555	0.3
175.14824	0.3
177.05470	0.2
179.03377	0.5
181.12202	0.2
183.02965	0.6
185.05988	1.5
187.14746	0.3
189.05501	0.6
189.16429	0.2
191.03427	0.4
197.06042	0.7
199.03944	0.5
201.05518	0.2
201.16350	0.2
203.03365	0.3
203.07024	1.0
205.04993	0.2
212.69138	0.2
213.05476	4.7
213.16124	0.2
216.04257	0.7
217.04991	1.1
227.11696	0.2
227.17912	0.3
229.04953	0.4
231.06528	4.4
240.04228	0.3
241.04955	10.9
242.05334	0.3
258.05167	0.5
259.06088	0.8
259.09650	0.4
269.04440	4.1
269.12668	0.5
269.22693	0.4
287.05508	100.0
287.23672	1.7
288.05795	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
58.79214	0.1
62.54969	0.1
67.01868	1.6
68.99795	1.3
70.71743	0.4
70.72114	0.1
73.41333	0.1
74.54829	0.1
76.79966	0.1
79.05511	0.3
89.03928	0.7
98.02998	0.1
98.34644	0.1
107.04948	0.4
111.00775	0.3
111.04431	0.2
113.96703	0.1
117.03369	0.8
125.02345	0.2
125.11359	0.1
127.03965	0.1
128.01675	0.1
129.01845	0.2
129.06929	0.1
135.04424	4.5
137.02347	1.3
137.03310	0.2
153.01834	11.5
157.06537	0.2
161.02351	0.9
171.02884	0.6
171.04344	0.2
179.03421	0.6
185.05974	0.3
199.03960	0.1
201.05582	0.1
203.03426	0.2
203.07217	0.1
213.05423	0.6
219.06474	0.1
231.06438	0.2
241.04965	1.5
245.04497	0.2
259.05942	0.2
263.05518	0.2
269.04477	0.7
287.05499	100.0
288.05801	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01861	0.2
56.56079	0.1
60.29375	0.1
65.03948	0.5
66.95804	0.1
67.01863	0.5
68.31549	0.1
68.99430	0.2
68.99799	2.6
69.03432	0.3
70.73372	0.2
71.01331	0.1
71.95382	0.1
79.05504	0.7
81.03416	0.3
81.52441	0.1
85.02938	0.1
91.05486	0.2
95.01336	0.1
95.04973	0.3
97.02899	0.2
98.21536	0.1
103.05461	0.2
105.03413	1.0
105.07019	0.1
107.04958	1.4
109.02882	0.8
111.00821	1.4
111.04454	0.3
115.05455	0.1
117.07032	0.1
118.81257	0.1
119.04938	0.2
121.02879	7.3
121.03893	0.3
121.06534	0.1
123.04453	0.1
127.03895	0.2
128.06198	0.1
129.07016	0.4
131.04926	0.1
133.02861	0.9
133.06479	0.1
134.03696	0.1
135.04427	0.5
136.07562	0.3
137.02354	2.1
141.06990	0.3
145.06508	0.7
147.04420	1.4
151.03949	0.1
153.01842	11.0
153.05412	0.2
154.02165	0.1
157.06496	1.4
160.05292	0.1
161.02350	0.1
161.05946	0.4
164.07066	0.3
165.01851	4.0
169.06575	0.1
171.04430	0.6
173.06071	0.1
175.03905	0.2
175.07556	0.1
179.03456	0.1
183.02911	1.6
184.05203	0.2
185.05986	1.1
189.05499	0.2
197.06009	0.3
199.03886	0.2
201.05495	0.1
203.03569	0.2
203.07076	0.3
213.05481	3.3
216.04199	0.2
217.05081	0.2
223.03990	0.1
229.04987	0.4
231.06512	1.4
241.04961	1.5
242.05748	0.2
243.06476	0.2
245.04419	0.1
258.05292	2.6
259.06033	1.0
269.04480	0.6
287.05518	100.0
288.05875	1.6
290.59116	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Fisetin
Peak:m/z	Relative Intensity
59.81604	0.2
65.03922	0.4
67.01846	0.5
68.99789	2.3
69.03412	0.2
69.49456	1.3
71.63303	0.2
73.05840	0.2
75.72533	0.2
79.05466	0.6
81.03412	0.2
95.04963	0.3
98.20753	0.3
103.05480	0.2
105.03381	0.8
105.07010	0.3
107.04951	1.0
109.02870	0.8
111.00798	1.7
111.04446	0.2
115.05425	0.3
117.06980	0.3
119.04964	0.2
119.12414	0.2
121.02872	6.5
121.03818	0.3
127.03921	0.3
129.06999	0.5
133.02888	0.9
135.04424	0.6
137.02339	2.6
141.06938	0.2
145.06487	0.5
147.04405	1.4
153.01831	11.3
157.06517	1.5
161.05995	0.5
165.01839	4.3
169.06520	0.2
171.04384	0.5
172.55865	0.2
173.06085	0.2
183.02913	1.6
184.05287	0.2
185.05957	0.8
197.05974	0.4
203.03340	0.2
213.05505	2.8
229.04906	0.4
231.06569	1.3
241.04948	1.5
243.06441	0.2
245.93939	0.2
258.05264	2.4
259.03607	0.2
259.05942	1.1
269.04510	0.4
273.71524	0.2
287.05499	100.0
288.02777	0.3
288.05719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58491	0.1
53.03941	0.1
55.01858	0.2
65.03947	0.2
67.01868	1.0
68.99789	1.6
69.03442	0.1
69.58045	0.5
79.05487	0.4
81.03398	0.2
89.03914	0.5
95.04980	0.2
97.27493	0.1
103.05434	0.1
105.03401	0.3
107.04980	0.7
107.08684	0.1
109.02887	0.3
111.00822	0.7
111.04426	0.3
115.05428	0.1
117.03398	0.5
117.07043	0.1
121.02879	2.4
121.03870	0.2
125.02374	0.2
125.15219	0.1
127.03889	0.2
129.01868	0.1
129.07028	0.3
131.04933	0.1
133.02840	0.3
135.03375	0.2
135.04424	2.7
137.02345	1.5
137.90549	0.1
139.05437	0.2
141.06934	0.2
145.06490	0.1
147.04405	0.7
150.09293	0.1
151.03867	0.1
153.01834	11.1
154.02139	0.1
157.06506	0.6
161.02319	0.7
161.05986	0.2
165.01834	1.5
167.04836	0.1
171.02908	0.5
171.04427	0.3
175.03957	0.1
179.03421	0.3
180.13623	0.1
183.02927	0.7
185.05971	0.6
189.05418	0.2
194.02257	0.1
199.03784	0.1
203.03346	0.2
213.05476	1.4
217.04836	0.1
220.56360	0.1
229.04964	0.2
231.06567	0.6
241.04933	1.3
245.04442	0.3
258.05234	0.9
259.06012	0.3
263.05597	0.2
269.04407	0.8
287.05505	100.0
288.05862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03926	0.3
65.03934	0.3
67.01855	0.5
68.99791	2.1
69.03423	0.2
70.73105	0.4
72.19865	0.2
79.05484	0.7
81.03399	0.4
91.05419	0.2
95.04965	0.2
103.05479	0.2
105.03385	0.9
107.04956	1.3
109.02854	0.6
109.38225	0.2
111.00812	1.5
111.04427	0.5
117.03404	0.2
117.06993	0.2
118.53846	0.2
121.02873	5.9
121.03797	0.4
128.06181	0.2
129.07047	0.3
133.02866	0.6
135.04445	1.0
137.02335	2.6
141.06990	0.3
145.06471	0.4
147.04453	1.2
153.01831	11.2
157.06493	1.3
161.02377	0.2
165.01843	3.1
171.02908	0.2
171.04420	0.6
173.05830	0.2
175.04008	0.2
175.07489	0.2
179.03339	0.2
183.02890	1.3
185.05986	0.9
197.05998	0.3
199.03984	0.2
203.03398	0.4
203.07001	0.3
213.05475	3.0
216.04237	0.2
229.04936	0.4
231.06555	1.0
241.04890	1.4
243.56181	0.2
247.14513	0.2
258.05252	2.1
259.06049	0.6
263.05356	0.2
265.96869	0.2
269.04468	0.3
287.05502	100.0
288.05792	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Fisetin
Peak:m/z	Relative Intensity
50.48541	0.1
53.03949	0.2
55.01878	0.3
55.05483	0.1
55.38060	0.1
56.51289	0.1
56.96555	0.4
58.33397	0.1
65.03942	0.3
65.38554	0.1
67.01854	0.3
67.05498	0.3
68.99791	2.4
69.03414	0.4
69.07052	0.4
69.27642	1.1
70.06583	0.5
71.01347	0.2
71.04987	0.2
72.08144	0.1
73.39133	0.1
79.05505	0.8
81.03407	0.5
81.07049	0.4
85.02890	0.2
86.06055	0.3
86.09709	0.2
91.05473	0.4
93.07030	0.2
94.06573	0.3
95.05011	0.2
95.08614	0.2
97.02886	0.2
97.06537	0.2
98.21500	0.3
98.97580	0.4
103.05434	0.2
105.03411	0.9
105.06972	0.1
107.04946	1.1
109.02882	0.7
109.06516	0.1
111.00812	1.5
111.04431	0.4
115.05453	0.4
118.06519	0.3
119.04912	0.1
119.08585	0.1
121.02869	7.2
121.03856	0.3
121.06504	0.2
121.10168	0.1
122.06025	0.5
123.04416	0.2
125.02371	0.2
127.03901	0.5
127.08658	0.1
128.07098	0.2
128.08130	0.2
129.06976	0.5
131.04884	0.1
133.02858	1.0
135.04451	0.4
137.02333	2.5
137.06020	0.3
140.07051	0.5
141.06943	0.2
142.87659	0.1
144.08092	0.2
145.06487	0.5
147.04416	1.3
148.07564	0.6
151.03841	0.2
153.01831	10.3
153.13850	0.2
157.06511	1.2
158.99707	0.2
161.02252	0.1
161.05963	0.5
165.00520	0.2
165.01843	3.4
169.06544	0.1
171.04433	0.7
174.08771	0.5
175.03903	0.2
177.05502	0.2
182.11598	0.1
183.02905	1.2
185.05942	1.0
189.05438	0.5
197.06000	0.4
199.03905	0.2
201.05519	0.2
203.06969	0.2
210.11281	0.2
213.05478	3.3
216.04265	0.1
217.04964	0.2
219.01616	0.2
223.08723	0.2
224.07054	0.3
227.06799	0.1
227.13887	0.4
228.12372	0.3
229.05042	0.4
231.06516	1.3
241.04967	1.6
241.09761	0.4
242.11700	0.3
243.06677	0.3
250.51871	0.1
258.05231	2.0
259.06027	0.8
269.04443	0.4
269.09082	0.2
269.12839	0.5
270.11179	0.3
287.05502	100.0
288.05801	1.5
295.45065	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45906	0.6
53.03932	1.5
54.06808	0.5
55.01861	1.1
55.05264	0.7
55.05513	10.9
56.96548	1.0
57.03190	1.1
57.03441	13.5
57.07055	1.0
59.05017	0.6
65.03933	1.7
67.05508	22.9
67.05869	1.1
69.03423	1.2
69.07069	12.9
69.42980	2.1
69.43404	2.6
70.56210	0.6
71.04999	4.4
73.06525	0.6
79.05054	1.0
79.05495	13.8
81.03430	2.9
81.07061	61.3
83.04993	5.1
83.08629	5.8
85.02886	1.1
85.06550	5.0
91.05488	17.6
93.07056	9.2
95.04963	2.4
95.08613	12.7
97.06532	5.8
97.10182	0.9
98.21537	1.4
98.97549	0.8
99.04428	0.9
99.08077	2.6
101.06031	0.9
103.05543	0.8
105.07034	25.2
107.04948	1.7
107.08604	8.6
109.06538	4.3
109.10153	2.1
110.10484	0.9
111.08086	1.3
113.06027	1.4
117.07000	0.8
117.69857	0.5
118.04139	2.0
119.07784	1.2
119.08587	18.3
121.06492	1.6
121.10154	13.8
123.04442	6.3
123.08074	3.6
123.11712	20.5
124.01583	1.4
127.07551	2.0
129.07004	1.8
131.04973	0.6
131.08575	1.7
133.06505	1.1
133.10149	3.0
134.03625	0.8
137.02332	2.6
137.13275	1.1
141.06964	0.9
141.09039	0.8
142.70703	0.6
143.08464	0.7
145.06555	0.7
145.10112	1.4
147.11693	49.7
149.02328	3.4
151.03918	3.9
152.01038	5.5
153.01810	2.2
155.08438	0.6
157.10143	2.5
158.03647	1.1
159.08092	0.7
159.11685	0.7
161.06020	1.0
165.01825	1.5
165.07053	1.1
165.12762	25.0
168.05702	1.9
169.06412	0.9
170.02109	2.6
175.11153	2.2
179.03362	0.6
181.06537	0.7
182.07138	0.7
183.08098	2.3
183.11897	0.8
183.13777	2.2
186.06773	1.3
193.12262	2.4
196.05170	1.0
197.05988	2.3
211.07574	1.5
211.13229	1.0
213.05487	4.5
214.06273	2.0
221.06081	1.2
224.04655	0.7
225.05505	3.6
225.09157	2.0
229.08611	7.8
229.14320	3.4
239.07014	1.1
241.04994	0.9
242.05760	5.2
243.11201	0.7
251.05698	0.7
253.04964	6.5
253.08603	3.7
257.04453	1.1
257.07849	1.0
267.15985	1.9
269.04428	4.2
270.05215	9.9
285.07587	100.0
285.16934	25.1
285.22043	1.5
286.07919	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
55.01867	2.7
55.05513	7.7
57.03449	6.1
65.03947	1.3
67.05506	11.2
67.83884	0.8
69.03423	2.9
69.07072	2.8
70.70376	1.8
70.70744	1.9
71.04984	2.8
75.04482	1.0
79.05504	13.0
81.03420	97.9
81.07063	12.3
83.04981	5.4
83.08627	23.2
85.02908	4.5
88.35694	0.9
91.05486	13.0
91.06016	1.8
93.07050	6.3
95.04974	26.3
95.08617	3.9
97.02877	2.5
97.06558	1.3
97.10152	1.6
105.07037	10.6
107.04984	6.0
107.08621	2.9
109.06516	2.5
109.10181	1.6
111.04453	1.9
111.08089	12.5
115.05481	1.5
117.07058	1.1
118.04160	1.3
119.08591	10.6
121.06517	2.6
121.10117	4.4
123.00790	1.4
123.04440	1.2
123.11660	1.4
129.07005	8.1
131.08568	9.6
133.06490	3.2
133.10158	3.4
137.02263	1.1
137.09631	2.0
140.06203	0.9
142.07779	2.1
145.10162	2.3
147.08020	3.1
147.11691	5.9
149.09622	3.2
152.01064	11.4
153.01837	1.1
157.10135	10.4
159.11700	1.1
165.12811	1.1
165.17981	0.8
168.05739	5.2
169.06505	0.9
170.02115	1.6
175.11203	11.4
181.06546	1.1
183.08107	5.9
186.06793	1.5
193.12256	48.5
196.05235	2.5
211.07539	7.4
211.13322	8.4
213.05466	2.8
214.06285	2.6
225.05571	1.9
227.06003	1.6
229.08611	12.2
239.06999	3.4
241.05054	1.5
242.05754	3.8
253.04951	2.4
255.05658	1.4
267.15887	11.8
269.04483	3.7
270.05200	4.1
285.07587	100.0
285.16730	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66072	1.0
53.03937	3.1
55.01865	3.2
55.05511	11.3
56.94782	1.1
57.03442	13.6
67.05171	1.5
67.05507	19.0
69.03418	3.2
69.07060	4.5
70.71082	1.5
70.71423	2.7
71.04990	3.0
77.03447	1.0
77.03935	1.2
77.89375	1.0
79.05494	15.5
81.03423	100.0
81.07063	20.6
83.04981	7.4
83.08624	23.5
85.02911	17.9
85.06547	1.2
91.05492	22.1
93.07056	12.0
95.04974	32.4
95.08617	6.8
97.02874	3.0
97.06532	3.0
97.10171	1.3
99.08126	1.5
105.07041	17.9
107.04967	6.6
107.08604	3.8
109.06509	4.0
109.10178	1.8
111.04465	2.9
111.08089	13.9
113.05973	1.7
115.05427	1.3
117.06982	1.4
119.08597	14.9
121.06536	2.0
121.10172	7.5
121.39160	1.1
123.11697	1.9
129.07018	8.1
131.08562	8.6
133.06548	2.0
133.10150	7.0
135.07974	1.2
137.13226	1.3
142.07771	3.2
145.10110	1.4
147.08096	2.6
147.11696	14.2
149.09607	4.4
152.01053	3.5
157.10143	13.5
165.12756	5.1
168.05687	2.0
175.11194	16.9
183.08057	2.2
193.12254	55.9
196.05170	1.4
211.07532	2.1
211.13313	20.8
214.05975	1.4
221.05962	1.3
229.08624	5.4
242.05751	1.7
253.08885	1.4
267.15979	9.8
269.04422	1.5
285.04443	2.2
285.07593	36.6
285.16971	19.6
286.07834	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01617	1.5
51.02346	1.4
53.03949	6.9
55.01865	5.7
55.05266	2.2
55.05513	31.6
57.03440	60.8
57.07065	2.6
65.03930	2.2
67.05171	2.5
67.05510	46.9
69.03449	7.1
69.07075	14.7
69.07417	2.4
69.94994	5.3
71.01305	1.8
71.04998	12.0
73.02896	1.8
77.03911	1.7
79.05066	2.9
79.05499	47.7
81.03422	100.0
81.07060	60.7
83.04984	22.2
83.08624	39.1
83.09106	2.8
85.02908	83.9
85.06528	4.1
91.05489	62.3
93.07050	33.6
95.04974	45.9
95.08611	24.9
97.02869	6.7
97.06522	8.2
97.10149	4.0
98.20711	1.6
99.08105	1.4
100.11239	1.9
105.07035	46.7
107.04980	11.0
107.08613	13.2
109.06526	9.6
109.10160	8.9
111.04424	3.6
111.08085	20.3
113.06009	9.0
115.05447	4.6
115.15522	1.5
117.07004	3.9
119.08591	38.5
119.09446	2.0
121.06533	10.4
121.10139	19.0
123.04437	3.0
123.08052	7.7
123.11694	3.6
125.09614	1.8
127.07540	1.5
129.07002	18.7
131.08582	20.9
133.06483	5.7
133.10136	21.6
134.03661	1.4
135.08115	1.5
135.11696	3.0
137.02292	1.7
137.09567	4.6
137.13185	1.5
142.07768	5.9
143.08530	1.8
145.10100	4.9
147.08070	7.9
147.11693	31.0
149.09610	12.0
157.10144	25.3
159.11665	2.3
161.05984	2.8
165.06975	2.5
165.12773	7.1
175.11205	26.5
185.13321	2.3
186.57793	1.6
193.06442	2.1
193.12251	85.0
197.05963	2.2
211.07591	2.3
211.13301	47.9
213.05344	2.3
214.06158	1.8
225.05434	5.0
225.09102	3.1
229.05022	2.4
229.08664	1.9
253.04985	4.2
253.08669	5.6
257.04391	1.6
257.08145	2.3
258.05206	4.0
267.15863	5.8
270.05106	6.7
285.04242	2.3
285.07544	28.1
285.11105	4.4
285.16934	63.4
286.04651	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01867	2.9
55.05519	7.1
57.03448	8.1
62.36338	0.8
67.05180	0.9
67.05514	14.1
69.03422	3.2
69.07057	3.3
69.33738	6.8
71.04994	2.1
79.05498	14.6
80.08777	0.9
81.03426	100.0
81.07067	12.5
83.04977	6.4
83.08629	19.3
85.02913	5.1
85.06548	0.9
91.05495	18.2
93.07054	9.2
95.04977	25.7
95.08631	4.1
97.02888	2.3
97.06549	2.5
97.10175	0.9
103.05479	1.0
105.07049	12.2
107.04955	6.0
107.08607	4.1
109.06512	3.2
109.10161	2.4
111.04427	2.0
111.08096	10.6
115.05452	1.5
117.07002	1.6
119.08585	10.8
121.06515	2.2
121.10153	6.9
123.04429	2.0
123.08145	1.1
123.11714	1.2
125.09660	2.0
128.06310	0.7
129.07025	7.7
131.08591	7.8
133.06508	2.5
133.10144	4.6
134.03664	1.9
137.02321	2.3
141.06982	1.0
142.07811	1.5
145.10114	1.3
147.08043	2.5
147.11710	7.9
149.09616	4.6
151.03937	1.2
157.10130	10.8
165.12749	1.2
175.11197	12.6
193.12270	40.9
197.05922	2.3
210.06721	1.0
211.13362	6.7
213.05479	2.9
214.06258	1.7
225.05519	3.4
225.09079	1.3
229.08649	1.7
253.04993	2.8
253.08539	2.3
257.04477	1.8
257.08011	1.4
267.15930	9.8
269.04550	1.5
270.05322	8.6
285.04150	1.3
285.07587	27.6
285.11069	2.1
285.17081	3.3
286.04419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
54.42579	1.3
55.01871	5.8
55.05514	19.1
57.03182	2.4
57.03444	33.2
67.05506	30.5
69.03426	5.2
69.07080	8.9
69.32498	11.3
69.32912	2.5
71.04988	6.3
72.85825	1.3
73.02940	1.9
79.05499	27.6
81.03423	100.0
81.07064	33.5
83.04993	13.9
83.08625	29.5
85.02910	42.9
85.06558	3.3
90.29399	1.5
90.84875	1.3
91.04958	2.8
91.05486	38.1
91.43019	1.6
93.07055	18.9
95.04972	32.7
95.08617	13.3
97.02872	2.6
97.06550	5.2
97.10170	2.6
98.70142	1.7
99.08086	1.9
105.07039	28.8
107.03734	1.3
107.04955	7.8
107.08588	10.1
109.06532	6.7
109.10159	3.6
111.04469	2.4
111.08084	15.9
113.06026	3.5
115.05457	1.5
117.07030	1.8
119.08595	22.0
121.06541	2.1
121.10152	11.3
123.04430	1.8
123.08081	3.3
123.11730	2.5
129.07024	12.4
131.08577	14.5
131.33795	1.3
133.06517	2.8
133.10126	10.2
134.03604	3.4
137.02357	7.8
137.09610	2.1
142.07805	4.3
145.10139	1.5
147.08054	3.7
147.11703	18.8
149.09601	8.4
151.03899	1.7
151.07568	3.2
157.10150	19.6
163.53317	1.5
165.12767	4.9
175.03897	2.4
175.11211	19.1
186.06776	2.2
193.12254	66.2
197.06023	4.0
211.13313	32.5
213.05499	6.2
214.06227	4.5
225.05482	8.4
225.09039	1.8
229.08650	1.7
229.14435	1.9
232.00743	1.5
253.05054	11.1
253.08394	1.6
255.86163	1.6
267.15985	6.6
269.04507	3.9
270.05231	15.0
285.07617	60.8
285.10645	2.4
285.16934	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01874	2.6
55.05521	6.5
57.03448	7.8
65.03942	1.8
67.05508	11.9
69.03429	2.4
69.07070	2.5
69.45926	7.1
69.46251	1.4
71.04987	2.6
79.05500	14.2
81.03424	100.0
81.07062	11.9
83.04998	6.3
83.08627	18.2
85.02905	6.4
91.05489	16.1
93.07060	6.5
95.04974	28.9
95.08607	3.2
97.02898	2.5
97.06509	1.3
97.10188	2.0
98.21561	1.7
105.07046	11.6
107.04971	8.8
107.08597	3.6
109.06509	3.6
109.10133	2.6
111.04459	1.5
111.08076	8.6
115.05458	1.4
119.04961	1.2
119.08582	11.5
121.02864	3.6
121.06495	3.0
121.10156	3.8
123.11711	1.2
129.07030	7.0
131.08600	6.6
133.06482	3.0
133.10150	5.6
135.04393	3.4
137.02356	2.0
141.06979	1.1
142.07767	1.9
147.08034	1.5
147.11679	7.8
149.09627	4.1
149.50964	0.9
151.03894	4.7
155.08603	1.1
157.10141	8.3
163.03954	1.7
165.07037	1.2
165.12793	2.9
175.11182	10.1
193.12253	41.0
211.07587	2.1
211.13275	7.2
213.05440	1.2
225.05504	2.2
225.09077	1.7
229.04959	1.3
229.08591	1.8
239.07005	1.1
253.04958	1.5
253.08577	2.6
256.07278	1.2
257.07919	1.2
267.15982	7.3
270.05167	2.6
285.07599	61.6
285.11087	2.5
285.16931	3.1
285.22156	1.5
286.07874	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1122
Annotation	Aurentiacin A
Peak:m/z	Relative Intensity
51.67551	0.2
55.05513	0.3
56.10854	0.3
60.52752	0.3
64.69514	0.3
65.03952	1.9
67.05495	0.4
69.07075	0.5
69.52179	1.7
79.05495	0.4
80.08460	0.2
81.03401	0.4
81.07053	1.0
91.05486	100.0
92.00266	0.3
92.05833	1.0
93.07060	0.7
95.04958	0.4
95.08575	0.4
98.98469	0.4
103.05467	1.3
105.03397	1.2
105.07039	0.7
107.04978	0.4
107.08598	0.4
109.06523	0.3
109.10123	0.4
115.05456	1.0
119.08585	0.7
121.06539	0.5
121.10167	0.3
123.04426	0.8
131.04956	1.8
133.06474	0.6
133.10156	0.4
135.04440	0.3
141.07007	0.8
143.08531	0.4
145.10178	0.4
147.11722	0.4
151.03935	1.4
153.07001	0.9
159.04422	0.9
161.05948	0.6
165.07011	2.7
166.07773	3.7
167.08537	0.6
169.06491	0.4
175.03848	0.3
178.07785	1.5
179.08589	3.4
181.06500	0.8
181.10141	2.9
183.07948	0.4
189.05466	5.9
189.06975	0.4
190.07784	1.0
191.08543	2.3
194.07262	2.8
195.08055	0.6
196.08841	0.3
207.08080	1.1
208.08868	0.3
209.09653	2.8
211.11180	1.0
213.09090	0.8
219.08058	1.2
224.08354	1.0
225.05553	0.4
235.07622	0.5
237.09068	2.9
239.10654	2.4
242.05743	0.3
249.09084	1.1
265.08487	0.3
267.10172	72.9
268.10553	0.9
270.05148	0.7
285.07544	4.1
285.11160	2.9
285.22189	0.5
285.25647	0.5
285.29816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56233	1.1
55.01875	1.3
55.05512	3.0
56.96555	2.3
65.03934	2.4
67.05510	2.7
69.07070	2.0
70.91412	2.8
71.08636	4.4
79.05514	2.7
81.07074	5.8
88.11303	3.7
88.27956	1.2
91.05490	100.0
91.66965	1.3
92.05804	1.2
93.07030	1.6
95.05008	1.8
95.08621	2.9
102.86209	1.4
105.03412	1.6
105.07032	3.1
107.08598	2.2
109.10197	2.7
110.06056	1.3
119.08593	3.1
121.06560	1.9
123.04440	4.2
129.07045	2.1
131.05002	1.5
131.08588	3.0
131.36783	1.4
133.10194	1.5
135.04443	2.6
137.02373	3.2
143.08643	1.6
145.10208	2.5
147.11681	2.0
149.02374	4.2
151.03935	3.3
152.01088	1.6
152.06329	1.5
153.06940	1.6
155.08534	1.7
157.10141	3.0
159.04527	1.6
161.06013	2.3
163.03947	4.9
165.01866	33.3
165.07057	3.1
166.07811	3.6
167.03444	3.5
168.05740	2.1
170.15382	11.7
171.11682	1.6
179.08537	3.2
181.01352	7.7
181.10152	3.2
183.02875	6.6
183.08047	3.1
184.05215	1.4
185.05894	1.7
186.06757	1.3
189.05553	4.7
191.08455	1.9
194.07378	1.9
197.06097	2.1
198.14940	13.5
199.07713	2.2
203.07092	2.1
207.08061	1.7
211.07524	3.6
213.05389	3.2
214.06128	2.2
225.05556	2.0
225.09091	2.1
227.07138	2.1
229.08621	11.3
237.09102	3.4
239.06947	1.5
239.10732	2.3
242.05774	2.7
249.09042	1.6
253.05112	4.3
253.08659	4.7
257.04645	2.1
257.08133	10.3
267.10181	78.7
269.04562	1.8
270.05322	8.4
285.07626	62.7
285.11115	6.2
285.14447	2.1
285.18484	3.9
285.22174	3.1
285.25497	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	285.1122
Annotation	Aurentiacin A
Peak:m/z	Relative Intensity
51.02403	0.6
55.05507	1.1
57.07074	1.4
63.00040	0.9
65.03937	2.3
67.05502	1.5
68.99802	0.6
69.07060	1.4
69.53329	4.0
79.05527	1.3
81.03458	0.5
81.07069	4.5
83.08633	0.6
91.05491	100.0
92.05843	0.8
93.07048	2.1
95.04962	0.8
95.08608	2.8
98.98486	0.6
103.05492	1.0
105.03403	1.4
105.07049	2.3
107.08600	2.5
109.10169	1.2
115.05491	1.0
119.08607	2.2
121.10163	2.4
123.04451	1.4
131.04938	1.5
131.08615	0.8
133.06502	0.7
133.10139	1.6
135.11740	1.4
141.07057	0.8
143.08528	0.9
145.10149	1.5
147.11714	1.6
151.03926	4.0
153.07004	0.7
155.08566	1.0
159.04414	1.2
159.11757	0.7
160.07735	0.5
161.05989	1.3
165.07063	2.6
166.07797	3.6
167.08575	0.9
169.06546	0.8
169.10144	0.9
171.11711	0.6
175.14886	1.3
177.16330	0.9
178.07779	1.7
179.08580	3.3
180.09163	0.6
181.06564	0.8
181.10181	3.0
189.05466	6.0
189.06999	0.8
189.16399	0.8
190.07750	0.7
191.08589	2.7
193.10104	0.7
194.07288	2.3
195.08205	0.8
196.04466	0.5
197.06006	0.6
207.08102	0.8
209.09663	3.2
211.11240	1.0
213.09155	0.8
219.08092	0.6
224.08434	0.9
225.16333	0.7
229.19690	0.8
237.09134	3.6
239.10631	2.8
249.09213	1.1
253.04982	0.9
267.10184	84.7
268.10565	1.7
268.35837	0.5
270.05212	1.9
285.07611	9.6
285.11133	4.4
285.18610	1.9
285.22330	1.7
285.25720	4.7
285.29645	2.9
285.33041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1123
Annotation	Aurentiacin A
Peak:m/z	Relative Intensity
51.73374	0.2
52.48784	0.2
61.37682	0.2
61.85880	0.1
65.03941	1.9
69.29371	1.4
76.08963	0.2
76.83008	0.2
91.05482	100.0
92.05814	0.9
95.04959	0.2
98.20768	0.3
103.05465	1.1
105.03384	1.6
105.07004	0.3
115.05450	0.9
129.68884	0.2
131.04932	1.9
141.06967	0.5
151.03938	0.2
153.07010	0.7
155.08562	0.3
159.04425	1.2
159.62357	0.2
161.06003	0.2
165.06993	2.9
166.07794	4.3
167.08531	0.6
178.07784	1.9
179.08568	3.0
180.09229	0.2
181.06476	0.6
181.10110	2.6
183.08110	0.3
189.05473	5.9
189.06947	0.3
190.07819	0.8
191.08563	2.9
193.06529	0.3
193.10143	0.4
194.07278	3.0
195.07861	0.2
196.08905	0.3
197.09593	0.2
206.07254	0.3
207.08038	1.3
208.08888	0.4
209.05899	0.2
209.09615	3.0
211.11214	0.8
213.09087	0.7
219.08083	1.0
221.09563	0.4
222.06657	0.2
223.07520	0.2
224.08334	0.8
231.01576	0.2
235.07562	0.4
237.09109	2.5
239.10703	2.3
249.09151	1.0
265.08569	0.3
267.10159	74.5
268.10498	1.5
285.11194	1.3
300.49597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1123
Annotation	2'-Hydroxy-4,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
57.41970	0.4
58.11160	0.4
61.66639	0.4
65.03938	1.4
65.76772	0.4
67.05521	0.7
70.81529	1.1
79.05516	2.2
91.05466	0.5
94.04182	0.5
95.04974	11.4
103.05477	1.9
105.04535	0.4
105.07033	2.0
108.02098	1.5
109.06516	1.4
118.04173	3.4
121.06490	1.6
123.04449	1.5
133.06502	21.4
137.06010	2.4
149.31145	0.4
151.03918	100.0
152.04292	0.5
161.05995	43.9
169.05003	4.5
177.05492	3.2
181.06508	1.0
196.08855	1.0
208.08865	0.7
209.05980	0.6
213.71049	0.5
224.08357	3.6
227.07056	1.0
239.10683	9.3
267.10199	3.8
270.08936	1.7
285.11243	73.5
286.11563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1124
Annotation	2'-Hydroxy-4,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
53.03931	0.8
56.96571	0.5
70.81890	1.1
78.04697	0.6
79.05487	1.3
81.07061	1.1
86.04398	0.5
91.05485	6.9
93.07036	1.1
95.01344	0.7
95.04971	1.1
104.85764	0.5
105.07043	1.3
106.04149	0.5
107.08586	0.6
109.02881	5.2
109.06538	3.7
119.08604	1.7
121.06516	96.4
122.06812	0.5
123.00811	1.0
128.06273	0.6
129.07033	2.4
131.08557	0.8
133.02847	1.3
133.06490	1.8
135.04480	0.9
137.05983	3.6
145.06448	0.6
147.04446	0.6
147.08044	3.6
149.02373	5.0
149.06001	1.3
151.03900	6.7
160.05217	1.2
161.02348	12.9
161.06001	5.4
163.03905	1.9
165.01855	1.1
167.03398	1.8
171.96864	0.5
175.03931	1.8
175.07590	2.1
177.05461	3.0
177.54185	0.5
185.05994	5.0
188.04631	0.5
196.47998	0.5
203.07045	100.0
204.07452	1.0
242.05519	0.5
257.04385	0.5
257.11719	1.0
267.10153	2.4
275.54819	0.6
285.07687	3.0
285.11218	44.3
286.11600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1123
Annotation	Aurentiacin A
Peak:m/z	Relative Intensity
64.93896	0.3
65.03947	1.9
67.05507	0.4
69.82985	1.2
77.43720	0.2
79.05497	0.5
81.03416	0.5
81.07064	0.6
83.01348	0.3
83.08618	0.3
85.02916	0.5
91.05485	100.0
92.05817	1.0
93.07072	0.3
95.04978	0.7
95.08604	0.5
103.05461	1.1
105.03414	1.7
105.07038	0.6
107.04930	0.3
111.08095	0.2
115.05460	1.0
117.85708	0.2
118.04173	0.3
119.08562	0.4
121.02889	0.2
121.06512	0.9
123.04434	0.7
128.13365	0.3
129.06976	0.2
129.85863	0.2
131.04939	1.9
133.06506	0.7
135.04390	0.5
141.06982	1.1
142.44203	0.2
147.11655	0.4
151.03928	2.5
153.07014	0.7
155.08554	0.4
157.10083	0.3
158.38760	0.2
159.04433	1.3
161.05948	1.3
165.01823	0.7
165.06990	3.1
166.06535	0.4
166.07805	4.1
167.03441	0.3
167.08537	0.5
169.04901	0.2
173.84657	0.2
175.03957	0.3
177.05482	0.3
178.07762	1.9
179.08545	3.5
181.06529	1.0
181.10130	2.6
182.07213	0.2
183.02873	0.2
183.08116	0.4
183.11659	0.3
189.05475	6.4
189.06909	0.5
190.07825	1.0
190.69844	0.2
191.08511	2.9
192.09215	0.3
193.06544	0.3
193.10059	0.2
194.07297	2.6
195.08035	0.6
196.08795	0.6
197.09569	0.3
198.03741	0.3
206.07355	0.3
207.08046	1.2
208.08817	0.3
209.09596	3.2
211.07588	0.5
211.11282	1.2
211.13043	0.3
213.09041	0.7
219.08058	1.5
221.09554	0.4
224.08313	1.2
225.08951	0.3
235.07420	0.4
237.09109	3.6
239.10706	2.9
242.05670	0.3
249.09149	1.2
253.04848	0.5
253.08592	0.4
255.73959	0.2
265.08646	0.3
267.10168	87.5
268.10529	1.9
269.04514	0.3
270.05252	0.8
285.07574	5.6
285.11081	4.2
285.18707	0.4
285.21893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
61.14351	0.4
65.03947	2.2
65.38290	0.3
70.56249	0.7
70.56602	1.0
86.79279	0.4
91.05484	100.0
92.05813	0.7
95.04961	0.8
103.05486	1.1
104.45683	0.3
105.03391	6.7
115.05490	0.4
118.04147	0.9
119.04990	0.5
123.04437	1.1
124.01631	0.6
125.28766	0.4
131.04909	2.8
133.06506	0.7
135.04440	0.7
141.07024	1.1
145.06496	0.4
149.02344	0.9
152.01067	1.8
153.01849	0.9
153.07008	0.7
159.04436	1.7
163.03911	0.4
165.07031	2.6
166.07805	3.5
167.03410	0.9
167.08585	0.7
169.06493	0.4
170.02173	1.1
178.07805	2.3
179.03409	0.6
179.08540	3.1
181.04974	0.6
181.06503	0.8
181.10139	2.2
183.08040	0.7
189.05481	5.8
189.07048	0.6
190.07799	0.9
191.08577	2.8
194.07236	2.5
195.08090	0.6
196.08864	0.5
197.06009	0.7
207.08122	1.0
209.06012	0.6
209.09560	2.4
211.07605	0.7
211.11183	0.6
213.05611	1.4
213.09106	0.6
217.71484	0.4
219.08096	1.6
224.08499	0.4
229.08560	2.0
237.09183	2.7
239.10533	2.1
241.05023	0.8
242.05757	1.9
243.10217	1.4
249.09206	1.2
253.04994	1.3
257.08160	0.5
265.05170	0.6
265.08673	0.4
267.10172	80.8
268.10516	1.6
269.04562	1.4
270.05319	2.5
285.07605	31.1
286.07941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1122
Annotation	2'-Hydroxy-4,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
50.59137	0.3
53.03944	0.6
53.83888	0.3
55.01873	0.4
60.47811	0.3
63.04107	0.3
65.03931	1.3
67.05498	0.7
70.29030	0.3
70.46003	0.3
70.71329	0.4
70.71679	0.7
79.05508	1.5
79.86382	0.3
84.20573	0.3
87.11349	0.3
91.05489	0.6
95.04970	12.5
103.05490	2.2
105.07066	1.5
108.02103	1.4
109.06502	1.7
118.04172	2.5
121.06493	2.1
123.04420	1.9
133.06497	21.8
135.04440	0.4
137.06000	1.9
149.06047	0.7
149.07362	0.3
151.03908	100.0
152.04260	0.6
161.05983	47.0
162.06337	0.5
165.01822	0.5
165.07043	0.5
166.00436	0.3
169.04979	4.7
177.05492	2.6
180.09401	0.3
181.06496	0.6
196.08853	0.8
208.08812	0.7
209.05949	0.6
224.08319	4.8
225.09108	0.4
227.06979	0.5
235.07497	0.3
239.07024	0.4
239.10666	9.9
252.07799	0.5
263.62836	0.3
267.10199	4.2
270.08838	2.5
275.43167	0.3
285.11218	73.6
286.11606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.076
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
50.85361	0.3
63.11938	0.3
65.03922	0.6
68.99776	0.8
70.76061	0.8
74.49947	0.2
79.05494	0.4
79.11259	0.3
91.05487	29.0
98.64390	0.3
103.05486	0.4
105.03381	0.7
105.07002	0.4
105.60697	0.3
107.04940	0.6
111.00845	0.5
115.05492	0.4
118.04166	2.4
119.04932	0.5
121.02886	0.5
123.04447	3.3
124.01579	3.0
131.04927	0.5
132.05742	0.3
133.06494	1.2
135.04468	0.4
145.06448	0.3
149.02350	3.5
150.42404	0.3
152.01071	6.9
153.01833	3.2
158.03674	1.8
159.04497	0.3
163.03973	0.5
165.07034	0.7
166.07794	1.1
170.02103	3.9
178.07759	0.6
179.03368	0.9
179.08569	1.1
181.10175	0.8
186.06752	0.5
189.05516	1.6
191.08582	0.6
194.07268	0.8
197.05986	1.3
201.05386	0.4
201.30260	0.3
207.08153	0.4
209.09639	1.2
211.07451	0.4
211.11034	0.4
213.05487	5.1
214.06233	1.2
219.07935	0.3
224.08350	0.3
225.05394	0.5
229.08629	5.7
233.65723	0.3
235.07428	0.4
237.09166	0.9
239.10678	0.8
241.04955	1.6
242.05769	6.9
252.04196	1.1
253.04968	5.2
257.08118	0.6
267.10175	24.7
269.04477	6.2
270.02255	0.3
270.03036	0.2
270.05237	9.0
285.07596	100.0
286.07962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67959	0.3
51.02376	0.3
53.03954	0.6
55.01876	5.0
55.05500	0.8
56.96566	1.7
57.07055	0.3
59.04989	0.9
63.00033	0.4
65.03931	1.2
67.01885	0.4
67.05512	1.4
68.46150	0.2
68.99791	3.6
69.03422	1.4
69.07085	1.5
71.08586	0.3
71.57774	0.5
79.01858	2.2
79.05492	0.9
81.03423	3.9
81.07066	1.6
83.08622	0.2
91.05488	18.6
92.99770	1.9
93.07030	1.1
95.04981	0.9
95.08610	1.6
96.33012	0.3
97.02901	1.5
98.97599	0.5
99.00805	2.1
103.05458	0.5
105.03403	0.7
105.07060	0.7
107.04969	2.6
107.08622	0.5
109.02901	1.3
109.10149	0.6
111.00827	0.4
115.05435	0.4
117.07066	0.3
119.08572	0.6
121.02837	0.5
121.06528	2.7
121.10227	0.4
123.00828	1.4
123.04392	0.5
123.08067	0.4
123.11727	0.3
124.83308	0.3
131.04962	0.3
131.08582	0.3
133.06490	1.0
133.10167	0.3
135.04405	1.2
135.11641	0.3
137.02354	4.5
141.01836	7.8
145.10162	0.7
147.11737	0.5
151.03908	4.2
155.03468	0.5
157.10158	0.4
159.04510	0.3
159.11786	0.3
161.06017	1.7
163.03934	0.4
163.15022	0.3
165.01843	100.0
165.07004	1.0
165.59105	0.3
166.02159	0.8
166.07758	0.7
167.03445	0.3
168.70741	0.3
175.07457	0.3
177.05579	0.4
178.07813	0.3
179.03436	1.4
179.08592	0.8
181.10144	0.6
183.02901	53.5
183.11678	0.4
184.03311	0.5
188.37256	0.3
189.03070	0.4
189.05499	1.1
190.07726	0.3
191.03427	3.4
191.08524	0.4
193.03403	0.4
194.07310	0.4
196.08897	0.4
203.07101	0.5
209.09808	0.4
211.07663	0.3
213.05432	0.4
213.81168	0.3
223.07185	0.3
229.08618	0.7
237.09029	0.6
239.07079	0.4
239.10786	0.7
243.06532	0.7
249.08934	0.3
253.05196	0.5
253.08258	0.8
262.08539	1.8
262.58762	0.3
267.10168	15.4
269.04468	0.4
270.05331	0.7
271.09082	1.5
273.59460	0.6
284.33047	0.5
285.07587	21.3
285.11041	4.2
285.18332	0.6
285.22064	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.076
Annotation	7,2'-dihydroxy-4',5'-methylenedioxyisoflav-3-ene
Peak:m/z	Relative Intensity
52.40866	0.5
53.00300	1.0
53.03957	0.5
53.85401	0.5
55.01885	2.1
55.05494	0.6
57.07067	0.5
65.03951	3.2
67.05510	5.7
68.99803	2.5
69.07082	0.5
70.60471	0.8
79.05502	0.5
79.43719	0.4
81.07061	1.0
91.05473	2.1
93.03405	3.8
93.07049	0.6
95.04978	5.8
105.07047	1.0
105.17617	0.4
107.04958	1.3
107.08606	0.5
111.04440	0.7
119.04920	1.3
119.08540	0.6
121.02875	3.5
121.06555	0.7
123.04438	84.0
129.06995	0.6
130.04131	0.5
133.10114	0.5
135.04407	1.6
137.02351	1.7
139.32930	0.4
141.07005	0.5
145.10089	0.5
147.04413	6.4
148.05182	2.6
149.02345	1.0
151.03911	100.0
153.06918	0.6
157.06477	0.8
163.03925	3.6
165.01849	4.3
165.06950	0.5
167.03430	0.9
175.03902	15.2
176.04591	0.8
181.06546	1.6
183.02904	1.5
185.06033	0.8
197.13345	0.5
199.07594	1.3
209.05968	0.7
213.05421	0.7
227.07030	2.0
229.08600	0.6
237.05501	0.5
239.06731	0.4
253.05000	0.5
255.06531	4.5
257.08160	1.4
267.10123	0.5
270.05286	1.2
285.07605	17.9
285.11005	1.3
285.18637	0.5
285.22137	0.9
297.76031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
52.60376	0.1
52.90379	0.1
53.03947	0.8
53.13892	0.1
54.27716	0.1
55.01872	4.5
59.04983	0.7
64.63635	0.1
65.03928	0.5
67.01863	0.3
68.99430	0.2
68.99789	2.7
69.03430	1.2
70.23425	0.3
70.23786	0.4
72.46352	0.1
79.01861	2.1
79.05483	0.3
81.02969	0.2
81.03422	2.8
81.07063	0.3
91.05483	5.1
92.70876	0.1
92.99776	1.7
93.07012	0.2
95.04965	0.3
95.08590	0.2
97.02898	1.1
99.00819	2.1
103.05469	0.3
105.03411	0.2
105.07021	0.4
107.04955	1.6
109.02895	0.9
111.00800	0.3
119.08553	0.2
121.02826	0.5
121.06518	2.0
121.10144	0.3
122.21379	0.2
123.00787	1.4
123.04398	0.3
131.04892	0.2
133.06494	0.4
135.04428	0.8
137.02336	3.7
139.03920	0.3
141.00710	0.3
141.01831	6.0
141.06958	0.2
147.00801	0.3
147.04382	0.3
147.11676	0.2
151.03937	1.0
161.05989	1.2
163.03975	0.3
165.01842	100.0
166.02156	0.6
166.07695	0.2
171.01341	0.2
176.04613	0.2
178.07903	0.3
179.03384	1.0
183.02898	38.1
184.03290	0.4
189.05472	2.2
191.03397	2.9
193.10088	0.2
195.05022	1.2
197.04440	0.2
206.04597	0.3
209.09570	0.2
213.06123	1.2
220.32069	0.1
236.07741	0.6
237.09090	0.2
239.10683	0.4
243.06606	0.8
249.09109	0.3
257.07935	0.1
258.69351	0.1
267.10172	6.5
284.33099	0.3
285.07608	14.7
285.10983	0.9
285.22021	0.2
286.07797	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	285.0758
Annotation	2-Carbomethoxy-6-methoxyxanthone
Peak:m/z	Relative Intensity
54.06668	0.3
68.99752	0.3
69.89499	0.7
69.89906	0.6
73.04041	0.3
89.03906	0.5
98.21429	0.3
108.02066	0.3
115.05421	0.4
118.17440	0.3
121.06471	0.3
129.06984	0.4
134.03642	7.7
137.02345	15.1
141.07007	2.8
155.04932	0.6
157.06425	0.4
158.07213	0.7
168.05656	0.6
169.06453	1.5
181.06474	0.8
183.04366	0.7
185.05945	1.1
186.06776	2.4
187.03882	0.3
196.05180	0.7
197.05986	5.6
213.05472	11.9
214.06261	7.9
224.04588	0.2
225.05479	15.1
229.08615	1.9
241.04915	0.8
242.05688	1.6
253.04977	14.3
254.05244	0.5
257.08133	0.4
269.04468	6.2
270.05237	31.2
271.05634	0.4
285.07587	100.0
286.07935	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
50.04842	0.1
53.03939	0.1
55.01860	0.3
55.05502	0.3
56.96569	0.1
57.03419	0.1
64.18091	0.1
65.03928	0.2
65.32671	0.1
67.01856	0.3
67.05506	0.6
68.99796	1.0
69.03412	0.2
69.07086	0.3
76.51208	0.1
79.05502	0.9
81.03428	1.1
81.07073	0.8
83.04977	0.2
83.08616	0.3
85.02898	0.3
90.04726	0.2
91.05491	1.2
93.07042	0.4
95.01330	0.2
95.04984	0.7
95.08619	0.3
97.02856	0.1
98.97599	0.4
103.04850	0.1
103.05449	0.6
105.03393	0.5
105.07023	1.1
107.04960	0.8
107.08585	0.3
109.06507	0.3
109.10156	0.3
111.00819	0.3
111.08043	0.2
115.05486	0.2
116.98592	0.2
117.07035	0.2
118.04162	2.7
119.04942	0.4
119.08584	0.4
120.15863	0.1
121.02897	1.2
121.06511	2.2
121.10128	0.3
123.00805	0.2
123.04440	4.1
124.01584	2.4
128.06151	0.1
129.07011	0.3
131.04938	0.5
131.08577	0.3
132.05725	0.3
133.06500	1.6
133.10118	0.5
134.03606	0.4
135.04427	0.5
136.48543	0.1
137.02354	0.7
139.03862	0.2
141.07005	0.6
143.08611	0.2
144.05745	0.3
145.06480	0.6
145.10147	0.3
146.07280	0.2
147.08052	0.2
147.11690	0.4
149.02356	5.5
151.03897	0.7
151.11263	0.1
152.01062	5.0
152.06227	0.3
153.01834	3.2
153.06985	0.2
155.04950	0.3
155.06064	0.1
155.08519	0.2
157.10123	0.3
158.03644	2.0
158.07286	0.2
159.04358	0.1
159.08058	0.3
159.11713	0.2
161.05971	0.4
161.09648	0.3
163.03932	0.3
165.07007	0.6
167.03549	0.2
168.05716	0.7
169.06506	0.6
169.10181	0.2
170.02121	4.8
171.04463	0.2
171.08040	0.2
171.11664	0.2
173.06000	0.2
173.09566	0.2
175.11102	0.3
179.03413	1.2
181.06505	0.3
182.07187	0.2
183.04399	0.3
183.08078	0.6
183.11696	0.2
184.05200	0.2
185.05943	0.7
186.06793	0.9
187.04002	0.2
187.07628	0.4
193.06500	0.4
193.12242	0.5
196.05177	0.4
197.05981	2.4
198.06758	0.4
199.07478	0.2
200.04718	0.2
201.05493	0.4
201.09096	0.2
202.46724	0.1
210.06715	0.2
211.03944	0.2
211.07536	0.7
213.05486	5.9
213.08861	0.9
214.06261	1.2
215.06813	0.2
215.10669	0.2
216.04158	0.2
221.06059	0.5
224.04677	0.3
225.05496	1.3
225.09106	0.5
226.06276	0.2
227.07030	0.2
229.05205	1.2
229.08612	8.3
239.07053	0.5
241.05023	1.5
241.08649	0.3
242.05765	6.7
243.06396	0.3
243.10294	0.5
252.04219	0.9
253.04984	5.8
253.08524	1.1
255.06540	0.2
257.04480	0.9
257.08081	0.7
257.11731	0.3
267.06537	0.3
267.10052	0.1
269.04465	5.3
270.05249	9.3
270.08258	0.3
271.05588	0.2
284.06387	0.2
285.07596	100.0
286.04947	0.2
286.07904	1.5
297.87683	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	285.0759
Annotation	Wogonin
Peak:m/z	Relative Intensity
50.63165	0.3
52.20230	0.3
55.01841	0.4
55.05476	0.6
57.03412	0.4
67.05471	1.1
69.43313	1.9
69.46345	0.3
69.63875	0.2
74.35470	0.3
75.19332	0.2
79.05464	0.5
81.03393	0.5
81.07022	1.0
83.04967	0.3
91.05425	0.9
92.95472	0.3
93.07001	0.6
95.04937	0.8
95.08588	0.3
105.03316	0.3
105.06996	0.9
105.80371	0.3
107.04941	0.7
107.08592	0.6
109.10184	0.3
115.05454	0.5
118.04124	1.0
119.04930	0.7
119.08566	0.6
121.02840	0.8
121.06488	0.6
123.04449	1.5
124.01541	0.8
127.60148	0.3
128.06178	0.3
129.06993	0.5
131.04999	0.3
131.08553	0.3
133.10100	0.6
135.04416	0.3
135.07959	0.3
137.02385	1.8
141.06961	1.0
147.04396	1.9
147.11670	0.6
149.89793	0.3
151.03914	2.2
152.01062	6.2
154.73003	0.3
155.08519	0.6
157.06485	0.8
157.10075	0.3
158.07234	1.1
159.11673	0.3
165.07005	0.6
168.05719	2.1
169.06494	2.2
170.02161	1.4
170.09702	0.5
172.09970	0.3
183.08067	0.6
185.06004	0.9
185.10924	0.3
186.06772	0.6
187.12254	0.7
193.12212	0.4
196.05177	1.1
197.06021	2.4
198.09114	1.4
199.08662	0.8
200.09439	0.5
211.07527	0.6
212.10817	0.3
213.05453	2.5
213.10115	0.4
214.06276	1.3
214.10953	0.5
215.11778	1.9
224.04695	0.9
225.05511	3.3
227.11749	0.3
229.08611	2.3
239.06773	0.3
241.04947	1.7
242.05753	12.2
243.11317	8.1
243.13855	0.3
253.04939	0.9
253.08617	0.5
256.11993	0.7
257.08026	0.5
257.12784	0.7
269.04529	0.8
270.05240	70.6
271.05548	1.0
285.07590	100.0
285.12143	8.5
286.07907	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
62.16996	0.2
69.37348	0.2
70.66620	0.8
71.58376	0.2
73.26615	0.2
81.02077	0.2
81.03392	0.2
87.60792	0.2
89.03915	0.7
101.73883	0.2
102.14706	0.2
103.69251	0.2
108.02087	0.3
129.06995	0.3
130.81000	0.3
134.02631	0.4
134.03645	6.1
137.02351	10.9
137.03398	0.6
141.06963	1.6
155.04935	0.3
157.06541	0.3
158.07297	0.5
168.05759	0.8
169.06473	1.5
183.04396	0.6
185.06029	0.5
186.06784	1.8
196.05220	0.6
197.06015	4.9
213.05482	9.1
214.06265	5.8
215.28993	0.3
225.05484	12.6
229.08604	1.8
240.83807	0.2
241.05052	0.5
242.05693	1.7
253.04976	18.5
257.08096	0.3
269.04465	4.4
270.05246	28.2
285.07596	100.0
286.07919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.076
Annotation	Biochanin A
Peak:m/z	Relative Intensity
50.48887	0.1
52.34425	0.1
52.80288	0.1
54.15191	0.1
55.01870	0.2
60.57276	0.1
63.69422	0.1
65.03947	0.1
68.02644	0.1
70.80022	0.2
79.05486	0.3
81.03435	0.2
81.07030	0.2
83.07171	0.1
91.05488	0.5
93.03417	0.2
93.07063	0.2
95.01326	0.5
95.04977	0.2
95.08578	0.1
97.02885	0.2
103.05431	0.3
105.03377	0.3
105.07026	0.4
107.04942	1.0
109.10093	0.1
117.03387	0.1
118.04163	0.8
119.04964	0.2
121.02874	0.2
121.06483	0.7
123.00791	1.8
123.04427	1.4
124.01584	0.6
125.02396	0.3
129.07002	0.2
131.04915	0.2
132.05681	0.4
133.06516	0.7
133.10207	0.2
134.07246	0.1
135.04407	0.2
137.02330	0.7
139.03923	0.2
139.05379	0.2
140.06197	1.0
141.07004	0.4
147.04399	0.1
148.05217	0.3
149.02275	0.1
151.00296	0.3
151.03845	0.2
151.05359	0.1
152.01048	9.9
152.06203	1.0
153.01828	1.7
153.06995	1.3
154.07837	0.1
155.04926	0.1
155.08492	0.3
157.06483	0.5
158.07289	0.5
159.08058	0.1
161.05983	0.2
165.06996	0.3
168.05719	5.4
169.01447	0.1
169.06444	0.6
170.02113	2.4
179.03380	0.4
180.05670	0.2
181.06494	0.5
182.07281	0.2
183.08055	9.4
185.06001	0.4
186.06772	1.7
193.06531	0.1
196.05200	2.6
197.05983	1.2
198.06752	0.3
199.07426	0.1
201.09082	0.3
207.04326	0.2
211.07549	6.7
212.08058	0.1
213.05481	1.9
214.06253	2.1
216.04175	0.2
221.06076	0.1
224.04668	0.4
225.05435	0.7
225.09073	0.1
226.06253	0.3
229.08606	13.6
230.08929	0.1
239.07043	3.5
241.04980	1.1
242.05728	3.6
252.04272	0.2
253.04968	2.6
253.08679	0.2
257.04330	0.1
257.08133	0.4
269.04471	3.6
270.05228	4.5
285.07574	100.0
286.07919	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
55.05511	0.4
58.84212	0.3
67.05482	0.5
69.20705	3.5
71.20333	0.3
79.05481	0.5
81.03429	0.7
81.07034	0.6
89.03900	0.8
91.05497	0.4
95.08613	0.3
105.07027	0.5
107.04967	0.3
107.08607	0.5
108.02086	0.4
109.10101	0.4
115.05460	0.4
119.08560	0.5
123.04442	0.3
134.03624	6.7
137.02348	12.5
141.06987	2.4
147.11734	0.4
151.03876	0.7
155.04884	0.7
157.06541	0.4
158.07307	0.4
168.05702	0.4
169.06535	1.7
181.06477	0.9
183.04436	1.2
185.06003	1.0
186.06754	2.4
193.12186	0.5
196.05255	0.6
197.05988	5.4
213.05473	9.7
214.06255	6.5
225.05472	13.9
229.08600	1.7
241.04933	0.6
242.05750	1.5
250.55385	0.3
253.04968	13.6
257.08008	0.5
269.04437	5.1
270.05240	28.5
271.05417	0.4
285.07587	100.0
286.07956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
51.90321	0.1
55.01803	0.3
55.02031	0.2
55.05440	0.3
56.00204	0.1
57.03366	0.2
67.05404	0.3
67.05732	0.1
68.99693	0.4
69.03355	0.3
69.07009	0.3
69.51000	0.7
69.69725	0.1
71.04916	0.1
77.32490	0.1
79.05389	0.5
81.03310	1.9
81.06953	0.7
83.04919	0.1
83.08567	0.3
85.02821	0.2
86.09642	0.1
89.03841	0.5
91.05379	0.6
91.16793	0.2
93.06933	0.5
95.04953	0.6
95.08540	0.3
97.02796	0.3
98.97489	0.2
105.03290	0.2
105.06930	0.5
105.82720	0.1
107.04868	0.3
107.08511	0.2
108.02007	0.3
109.06446	0.2
109.10054	0.3
111.07980	0.2
115.05332	0.4
119.04848	0.4
119.08508	0.3
121.02772	0.4
121.06429	0.3
121.10052	0.3
121.49678	0.1
122.03115	0.2
123.00669	0.1
129.06895	0.5
131.04900	0.1
131.08487	0.3
133.02768	0.2
133.06410	0.1
134.03636	6.4
134.04605	0.3
136.01476	0.2
137.02342	12.9
141.06992	2.1
143.02214	0.1
145.06436	0.2
145.10040	0.1
147.11652	0.2
151.03795	0.2
152.06197	0.3
154.02455	0.4
155.04816	0.5
157.06407	0.5
157.10043	0.3
158.07268	0.7
161.02193	0.1
161.14418	0.1
165.01750	0.5
166.02092	0.6
167.02170	0.6
167.03479	0.2
168.05618	0.6
169.06480	1.6
171.04260	0.2
175.03786	0.4
175.11067	0.2
181.06500	0.7
183.02954	0.2
183.04352	0.7
184.03265	0.2
185.03346	0.2
185.05965	1.1
186.06755	2.1
187.03810	0.4
193.12260	0.7
196.05151	0.6
197.05991	5.0
198.06566	0.2
199.03903	0.2
200.04640	0.2
211.13174	0.2
213.05470	10.4
214.06244	6.5
215.06741	0.2
224.04604	0.4
225.05472	13.6
229.05002	0.2
229.08607	2.2
241.04997	0.6
242.05734	1.5
243.06233	0.2
252.04161	0.2
253.04964	13.1
254.05576	0.2
256.06937	0.3
257.07996	0.7
267.06656	0.2
267.10373	0.1
269.04462	5.5
270.05237	27.0
271.05490	0.3
284.06366	0.9
285.07562	100.0
286.07922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
53.10903	0.5
55.01859	0.9
55.05507	0.6
56.05030	1.7
56.96561	1.4
57.03434	0.6
67.05531	0.6
67.36088	0.4
69.03432	1.3
69.07079	1.4
69.78337	2.6
70.06596	6.5
72.08159	1.4
79.05492	1.4
81.03423	1.7
81.07030	0.5
81.44684	0.4
82.06580	0.5
83.04967	0.6
83.06126	3.1
84.04507	49.7
84.08150	2.7
85.02908	2.4
85.24312	0.4
86.09699	1.1
91.05469	1.0
93.07033	1.7
95.04978	1.1
95.07352	1.1
97.02912	1.6
98.97587	1.8
101.07151	4.0
102.05524	1.0
104.47877	0.4
105.07020	1.8
109.02873	1.4
109.06522	0.8
110.03204	0.6
110.06043	1.3
110.07160	1.2
110.09689	1.0
110.97564	0.7
112.07609	1.0
116.07069	0.9
116.98678	0.6
120.08121	1.0
121.02922	2.3
122.02425	1.0
122.03216	2.2
122.06004	0.6
123.06821	2.4
124.07598	0.7
126.09164	8.7
127.03941	0.8
128.47772	0.5
129.06601	10.2
129.10240	0.8
130.05008	67.2
136.07620	0.9
137.05994	0.9
138.09145	100.0
139.09491	0.9
140.03438	2.2
140.07022	1.3
145.04976	0.7
147.07651	50.7
151.07484	0.6
152.05698	0.5
155.11813	3.2
164.07091	0.7
166.08620	0.7
169.04871	0.6
177.00739	0.6
177.09138	0.5
196.09868	0.9
206.08318	1.3
213.05673	0.5
221.10793	1.0
221.12819	6.0
224.09485	0.6
230.81294	0.5
237.12347	0.7
238.11824	0.5
239.11688	0.7
241.08345	0.6
253.08774	0.7
266.14935	1.1
267.11139	1.2
267.13605	0.6
284.10590	3.3
284.16083	13.0
284.29340	2.3
285.07605	1.0
285.12302	2.4
303.03162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
53.38552	0.8
55.01874	5.9
55.05514	14.0
55.88728	0.7
56.96556	1.8
57.03442	11.0
57.07067	1.7
59.48966	0.8
67.05166	1.6
67.05505	21.2
69.03427	3.1
69.07069	12.0
70.29848	1.4
71.04993	2.7
73.02928	1.0
79.01859	3.3
79.05499	31.7
81.03414	4.1
81.07061	25.8
81.07461	0.6
83.04992	5.7
83.08625	9.3
85.06543	2.4
91.05486	14.9
93.07050	43.4
95.04976	7.7
95.08610	46.6
97.02879	6.0
97.06512	4.8
97.10168	1.8
98.97581	2.8
99.04450	5.7
103.05489	3.0
105.07037	11.0
107.04963	14.7
107.08605	31.2
109.02844	1.0
109.06521	2.5
109.10156	6.6
111.04473	2.7
111.08076	1.6
113.09638	0.9
115.05438	1.7
117.07011	12.1
119.08575	11.1
121.02871	3.2
121.06519	7.8
121.10148	15.3
123.11720	2.4
125.05979	3.1
128.06255	1.0
129.07079	1.3
130.07784	2.1
131.04936	2.0
131.08592	1.6
132.05727	2.3
133.10124	3.4
135.04459	1.1
135.08073	2.8
135.11696	51.3
137.13329	1.5
139.07570	2.5
139.11115	0.8
143.08539	0.9
145.06543	2.1
145.10127	33.5
153.06972	1.1
153.12738	1.1
155.08546	1.4
157.06546	1.2
159.04439	1.2
163.11186	74.5
164.11540	1.2
165.01849	3.2
173.09634	2.0
177.05544	0.8
181.12256	16.4
183.02888	1.9
197.06032	1.4
205.05011	1.9
209.11769	2.4
213.05396	2.3
223.07712	0.9
225.05498	2.3
227.12788	100.0
228.13141	1.6
240.04225	1.8
240.07890	1.0
241.04732	0.8
253.05048	1.2
255.06493	2.5
256.07303	3.6
258.65045	0.9
262.56741	0.7
268.03946	1.0
268.07214	1.6
283.02917	1.9
283.06049	31.4
283.09650	12.0
283.15326	24.0
283.20248	1.3
284.06790	10.5
284.09680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0675
Annotation	calycosin(1-)
Peak:m/z	Relative Intensity
51.02426	0.3
54.93027	0.3
59.82747	0.3
69.19412	3.3
79.05476	1.0
79.72849	0.3
81.03426	0.4
91.05487	0.8
95.01318	0.8
99.49502	0.4
103.05450	0.6
105.07031	2.8
107.04914	0.5
108.05713	0.4
115.05475	0.5
118.04152	1.3
119.04957	1.7
121.06532	0.7
123.00803	5.1
124.01572	2.0
128.06236	0.6
129.07007	2.7
131.04951	0.9
132.05717	2.4
133.06520	4.1
134.07254	1.3
135.00793	0.5
135.04434	0.6
137.02361	2.9
139.05472	0.9
141.06990	1.3
146.03595	0.4
148.05151	0.4
151.00262	2.7
152.01054	5.8
157.06511	3.6
161.05997	7.1
164.82748	0.4
167.04912	0.8
168.05760	1.1
169.01349	1.1
169.06502	1.0
170.02145	1.3
171.08040	1.1
172.08897	0.7
178.02647	0.6
181.06549	0.3
182.07301	0.6
183.08015	0.6
184.05182	0.6
185.05983	3.5
195.04376	0.9
196.05345	0.5
197.05992	1.5
199.03816	0.3
199.07500	0.8
211.07426	0.4
212.04654	0.6
213.05492	5.0
223.03961	0.7
224.04694	1.4
225.05444	1.2
226.05864	0.4
227.07043	2.8
228.07695	0.4
231.38991	0.3
241.04965	6.7
252.04164	1.5
253.04988	2.8
254.05363	0.4
255.06480	3.1
256.07306	9.4
267.09476	0.4
269.04498	3.6
269.07370	0.5
283.06027	0.6
284.06805	100.0
284.29773	0.4
285.07336	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45018	1.1
53.03934	5.3
55.01875	21.7
55.05264	2.5
55.05513	33.6
57.03189	2.0
57.03442	27.7
57.07067	3.3
59.04990	5.1
65.03945	1.3
67.05174	1.3
67.05509	20.9
69.03423	1.8
69.07077	6.5
71.02600	2.3
71.04996	6.6
71.08617	1.5
79.05058	2.3
79.05495	37.3
81.03425	15.7
81.07056	30.2
83.01337	18.2
83.04983	25.0
83.08627	16.0
85.02902	4.6
85.06522	1.6
89.06039	9.4
91.04961	2.2
91.05485	32.1
93.07047	41.4
95.04984	10.4
95.08609	14.2
97.02882	4.6
97.06535	8.5
97.10145	3.2
99.04445	4.4
103.05444	3.2
105.07031	19.6
107.04302	1.1
107.04972	14.4
107.08600	20.7
109.06529	8.5
109.10155	4.3
111.04454	6.0
111.08100	2.9
117.07030	11.2
118.04135	1.7
119.08582	15.6
121.06516	10.6
121.10154	15.9
122.03585	1.5
123.08081	12.5
123.11694	1.3
125.05963	1.7
125.09660	1.7
129.07001	3.4
130.07758	2.3
131.04961	2.2
131.08598	6.3
133.08585	2.7
133.10115	3.6
134.03647	1.3
135.08055	2.8
135.11699	20.9
137.09653	2.9
141.06961	2.0
143.08522	1.8
145.06493	2.5
145.10118	24.8
147.08047	2.3
149.05936	1.4
149.09610	1.8
151.03899	1.4
153.12752	5.9
155.08572	2.8
155.84877	1.2
157.10118	1.5
159.11703	1.4
163.03946	1.2
163.11185	45.7
165.07013	1.6
168.04173	2.9
173.09639	6.4
177.05478	10.6
179.08607	1.4
181.06512	1.3
181.12254	7.0
191.10692	6.8
195.07988	1.5
197.06010	5.4
205.04955	18.6
209.11642	10.9
209.13278	1.2
211.07500	5.4
212.08253	2.1
225.05515	2.3
226.06012	1.2
227.06807	1.2
227.10645	7.2
227.12801	11.7
236.28555	1.2
239.06895	2.8
240.07841	8.7
251.07089	3.6
253.05009	2.4
265.08582	4.4
267.06519	6.3
268.07275	8.6
283.06180	7.3
283.09665	100.0
283.15326	43.2
283.20447	2.4
283.24210	3.8
284.06866	2.0
284.09949	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	283.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
56.96556	0.5
63.35091	0.5
67.05501	2.3
69.07059	1.3
71.09209	1.0
79.05486	1.2
81.07040	2.2
83.08596	1.2
85.06544	0.9
85.92561	0.5
90.79354	0.5
91.05470	3.0
93.07052	1.1
95.08603	2.2
97.02859	0.7
97.83793	0.5
105.07005	1.0
107.04964	7.9
107.08610	0.8
109.10155	1.6
119.08573	0.8
121.02830	0.7
121.10122	0.8
129.07024	0.6
133.10130	0.9
141.06996	0.7
145.10155	0.6
163.11113	0.6
165.01860	4.2
167.07376	0.5
183.02922	1.1
184.05180	0.5
197.05916	1.1
216.19997	0.5
223.07504	0.9
225.05453	4.2
225.08925	0.6
233.11609	3.7
240.04074	0.9
241.09760	2.1
247.24123	0.6
251.11324	1.2
253.04951	1.9
255.06676	1.2
265.14154	2.1
269.12241	3.1
283.06036	22.7
283.09830	6.6
283.15176	100.0
284.15530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0967
Annotation	5-Hydroxy-7-methoxy-6-methylflavon
Peak:m/z	Relative Intensity
53.03955	0.4
56.96588	0.4
59.84267	0.3
60.69540	0.2
63.49556	0.3
65.03943	1.7
66.04726	0.4
67.05508	0.5
69.07084	0.4
70.74618	0.8
78.04719	0.6
79.05485	1.6
81.03408	0.4
81.07056	0.5
83.01325	0.3
89.03921	1.2
90.04650	0.3
91.05483	29.7
93.03416	1.5
93.07053	0.8
95.04969	0.6
95.08613	0.5
103.05469	5.3
105.03400	1.7
105.04499	0.5
105.07032	0.8
106.04197	1.4
107.04964	0.5
107.08584	0.4
109.06500	0.4
115.05462	0.7
117.03379	0.8
117.07036	0.5
118.04147	0.6
119.04946	1.1
119.08569	0.4
121.02875	0.3
121.06505	3.1
121.10133	0.4
128.06190	0.3
129.07018	0.5
131.04942	1.3
134.03664	2.9
135.04393	0.8
137.05957	0.5
141.06982	1.0
142.07793	0.5
145.02867	0.8
146.03642	0.3
147.04395	1.4
149.02310	0.7
149.05984	4.0
152.06213	1.0
153.07027	1.0
155.08661	0.4
159.04434	0.5
160.01524	0.6
162.03127	5.5
163.03908	0.5
165.01715	0.3
165.05623	0.5
165.06999	2.8
166.07745	1.2
167.08525	2.1
168.70616	0.3
169.06531	1.2
170.07262	0.4
171.07999	0.3
175.03934	3.9
176.06209	0.6
177.05475	51.8
178.05937	0.4
178.07780	1.9
179.08553	2.4
181.06522	1.2
182.07372	0.5
183.07999	0.4
187.03886	0.3
190.02609	1.2
190.07738	0.4
191.08607	1.6
191.10173	0.4
192.04207	2.9
192.05734	0.5
193.06480	0.3
194.07280	6.5
195.08002	1.2
196.08884	0.4
197.05901	1.4
197.09660	0.3
203.03383	9.0
203.05161	0.6
205.04962	100.0
206.05321	1.1
207.08089	1.0
208.08771	0.6
209.09674	1.1
210.06747	0.9
211.07535	1.3
212.08205	0.6
219.07968	0.3
220.05101	0.4
221.04301	2.3
221.05869	0.5
221.06281	0.5
222.06725	2.2
223.07535	0.3
225.05397	1.6
225.09082	0.9
227.10701	1.0
235.07608	1.1
237.05513	0.4
237.09041	1.6
238.06172	1.6
239.06985	0.9
240.07848	1.2
247.07620	0.5
248.04645	0.8
249.05476	0.5
250.06244	1.2
253.04985	0.7
253.08636	3.4
255.06526	0.8
255.10216	2.4
263.07047	6.2
265.08603	10.4
266.05783	0.4
267.06488	0.6
267.09158	0.3
268.07285	2.4
281.08078	7.2
283.06128	5.4
283.09637	70.5
284.09985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0965
Annotation	7,2'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
50.69679	0.2
61.93215	0.2
70.44805	0.6
87.19387	0.2
98.20814	0.2
100.67294	0.2
105.07059	0.3
107.01314	0.3
107.05009	0.2
108.02097	0.2
118.04163	2.5
121.06503	4.2
122.03644	1.4
132.05733	0.2
133.06480	0.8
141.07013	0.5
150.03142	1.6
151.03886	1.8
152.06227	0.4
153.06927	0.2
165.07077	0.3
165.85568	0.2
167.08501	0.2
168.04208	2.8
169.06525	1.9
177.05580	0.3
180.05730	0.3
181.06448	1.6
183.08083	0.3
184.08786	1.5
195.08083	0.6
196.08849	1.5
197.05992	4.8
198.06772	0.6
199.07312	0.2
208.05217	1.0
209.05956	0.7
211.07539	6.5
212.08331	3.5
214.06183	0.4
224.08292	0.5
225.05511	1.0
227.10670	9.6
236.04556	0.3
239.07022	3.4
240.07829	13.8
249.07906	0.2
251.07057	7.3
255.10060	0.3
267.06534	9.4
268.07309	10.3
283.09659	100.0
284.10040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0965
Annotation	Matteuorien
Peak:m/z	Relative Intensity
55.01868	0.8
55.05512	1.3
56.96563	2.0
57.03431	1.3
57.07086	0.5
65.03944	1.0
67.05515	1.7
67.72449	0.5
68.99802	1.7
69.07064	1.4
69.76185	2.0
69.76598	0.8
79.05476	2.9
81.07077	3.1
83.08637	0.8
85.06554	0.8
89.03961	1.3
91.04956	1.1
91.05489	13.7
93.03435	0.8
93.07047	2.7
95.04984	1.8
95.08591	2.7
95.70238	0.6
97.02914	0.8
97.06557	0.8
98.97595	0.8
99.04486	0.6
101.29961	0.6
103.05469	3.7
105.03397	0.7
105.07042	11.0
106.61769	0.5
107.04974	3.8
107.08614	1.4
109.10184	1.2
115.05433	1.0
117.07041	0.9
119.08609	1.3
121.06519	5.0
121.10148	1.3
128.06203	1.1
129.07010	0.9
131.04944	3.5
133.06544	0.7
134.03601	0.8
135.04422	1.8
135.11711	1.7
137.02315	0.6
139.05551	0.7
141.06996	3.8
143.03374	0.6
143.08531	0.7
145.06465	0.8
145.10135	2.0
147.04414	7.2
149.06000	3.2
152.06210	0.7
153.07007	1.2
155.04904	1.3
155.08540	0.6
156.05771	0.6
157.06540	0.8
158.11121	0.6
159.04437	4.3
159.11758	0.6
161.05965	4.0
162.03133	1.3
163.11212	2.6
165.01880	0.7
165.07053	1.6
166.07875	0.6
167.08524	1.0
168.05756	0.9
169.06467	2.6
170.03757	0.6
171.08089	1.0
173.13225	0.6
174.06766	1.0
175.03917	1.3
177.05498	16.2
177.07028	1.3
178.07791	0.6
179.08568	0.8
180.86928	0.6
181.06503	1.6
181.12270	0.8
183.04344	1.4
183.08011	0.7
184.05229	1.5
185.06082	1.2
187.03966	5.6
191.08589	1.1
194.07307	2.2
196.05225	1.2
197.06010	5.2
199.07539	1.2
199.11034	0.5
201.05591	0.6
203.03456	2.3
205.04970	32.9
207.08243	0.8
209.09708	0.8
211.07570	0.9
212.04730	4.2
212.08333	0.7
219.08063	0.6
221.04416	1.3
222.06772	0.9
223.07683	1.0
225.05486	19.9
225.08943	0.8
226.05945	0.6
227.06989	3.9
227.10707	0.7
227.12854	1.5
235.07448	0.9
237.05428	1.3
237.09175	1.3
239.07170	1.3
240.04195	7.1
240.07875	2.1
243.95729	0.6
247.07573	0.7
250.06223	0.6
251.07079	1.0
252.04259	2.0
253.04991	12.9
253.07840	1.0
253.08420	0.7
255.06544	6.5
255.09114	0.7
255.10184	0.7
263.07071	2.3
265.04639	0.6
265.05685	0.8
265.08636	11.4
267.06552	32.6
268.03732	4.7
268.07327	11.2
269.10577	0.6
281.08136	2.1
283.06067	59.6
283.09671	100.0
284.06354	1.5
284.10074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0966
Annotation	6,3'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
53.03915	0.1
69.49060	0.5
69.49464	0.4
79.05523	0.2
84.60178	0.1
95.04967	0.5
105.07009	0.5
108.02097	2.4
123.04456	0.1
124.16142	0.1
133.06491	1.8
135.04401	0.4
141.06949	0.1
151.03897	2.4
158.78294	0.1
159.04399	1.8
169.04979	0.5
169.06490	0.4
181.06433	0.4
184.08812	0.4
197.06015	0.5
212.08250	0.2
224.23619	0.1
225.05365	0.7
232.64188	0.2
239.07021	0.2
240.07814	40.1
241.08170	0.5
255.06508	0.2
255.10106	0.2
267.06461	0.2
268.07306	18.5
269.07510	0.2
283.09650	100.0
284.10010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0603
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
57.48849	0.1
57.81037	0.1
68.99780	0.5
69.59877	0.5
69.60287	0.4
89.03902	1.5
91.05463	0.2
98.21501	0.1
103.05475	0.1
106.70200	0.1
114.11572	0.1
115.05463	0.6
117.03397	0.3
121.02824	0.3
122.45116	0.1
125.34045	0.1
127.05473	0.2
128.98500	0.1
129.07004	0.8
131.71977	0.1
133.02817	0.2
137.02322	0.3
141.06999	6.3
147.04350	0.2
152.06216	0.3
153.06998	0.3
155.04912	1.6
155.06026	0.3
156.12262	0.1
157.06516	0.6
168.05702	0.2
169.06503	4.6
181.06493	1.1
183.02939	0.2
183.04433	3.0
196.05246	0.4
197.06000	10.0
199.04001	0.2
199.07535	0.4
209.05896	0.2
224.04721	1.1
225.05479	42.1
226.05728	0.7
227.07008	2.1
228.04253	0.3
230.94307	0.1
235.04034	0.2
253.04976	32.7
254.05200	0.6
255.06482	0.4
283.06024	100.0
284.06363	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	283.0591
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
51.02391	0.1
53.03941	0.1
53.38393	0.1
55.01874	3.5
59.05004	0.3
60.08165	0.2
63.80505	0.1
65.03932	0.4
67.01865	0.1
67.05494	0.1
67.45366	0.1
68.99435	0.1
68.99784	1.7
69.00155	0.1
69.03432	0.6
69.07069	0.1
69.48069	0.5
72.08145	0.1
79.01850	1.0
79.05466	0.2
81.03412	1.1
81.07036	0.2
85.06541	0.1
91.05474	0.7
91.64024	0.1
92.99767	0.7
93.07034	0.2
95.04940	0.1
95.08602	0.2
97.02890	0.8
97.06544	0.1
99.00800	0.9
107.08537	0.1
109.02863	0.3
109.10157	0.1
111.00765	0.1
111.04430	0.2
117.07036	0.1
119.01113	0.1
119.04949	3.4
119.08592	0.1
121.02872	8.7
121.03889	0.3
121.10126	0.2
123.00794	2.7
123.01685	0.1
127.07652	0.1
131.04915	0.1
137.02335	2.7
141.01831	7.4
145.02811	0.1
145.06485	0.1
147.00755	0.1
155.03397	0.2
163.03931	0.2
165.01836	50.3
166.02159	0.4
182.01880	0.3
183.02893	14.8
184.03227	0.1
185.05913	0.1
187.03925	0.2
213.05518	0.2
224.02950	0.1
227.07011	0.2
236.64449	0.1
241.05049	0.1
255.06458	0.7
256.07214	0.1
266.05698	0.1
282.05014	0.1
283.06009	100.0
284.06464	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	283.0599
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
55.01861	0.2
55.05492	0.3
57.07091	0.2
57.43918	0.1
62.34652	0.1
67.05506	0.3
67.71729	0.1
68.99777	0.5
69.03429	0.2
69.07051	0.3
71.04984	0.2
71.58628	0.2
79.05479	0.2
80.62564	0.1
81.07044	0.6
83.04950	0.2
83.08591	0.2
85.06541	1.4
89.03899	1.6
91.05455	0.3
93.07024	0.2
95.01334	0.2
95.04945	0.2
95.08589	0.5
97.06535	0.2
98.97595	0.2
105.07005	0.3
107.04941	0.2
107.08598	0.3
109.10146	0.4
115.05433	0.9
117.03362	0.3
119.08561	0.3
121.02851	0.5
121.03963	0.1
121.10154	0.2
123.11731	0.2
129.06990	0.9
131.04912	0.2
131.08534	0.2
133.02789	0.2
133.10156	0.2
135.11655	0.2
137.02318	0.4
137.53923	0.2
141.06996	6.1
141.08110	0.3
144.21352	0.2
145.02846	0.1
145.06471	0.2
147.04314	0.2
147.08022	0.1
152.06168	0.4
153.06966	0.4
155.04929	1.7
155.06076	0.2
157.06482	0.8
162.42903	0.1
163.11153	0.3
165.01840	1.0
168.05724	0.3
169.06499	4.9
181.06531	1.3
181.08026	0.2
181.09940	0.2
183.02943	0.3
183.04390	3.3
191.10724	0.2
196.05142	0.2
197.05983	10.6
199.07491	0.2
209.05977	0.2
223.14954	0.2
224.04619	0.9
225.05467	42.6
226.05829	0.6
227.07019	1.9
228.04204	0.3
252.04100	0.2
253.04961	31.0
254.05316	0.5
255.06514	0.3
265.17984	0.4
283.06012	100.0
284.06354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.06
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
50.08603	0.4
50.32060	0.4
53.03953	0.6
53.35546	0.5
55.01858	0.8
55.05497	1.9
56.96549	0.5
57.03432	0.9
57.07067	0.5
58.40434	0.4
67.05514	2.4
68.99791	0.8
69.07063	1.4
69.67838	2.8
79.05502	2.6
81.07057	3.0
81.76986	0.5
82.81961	0.4
83.04994	0.5
83.08599	1.0
89.03934	1.5
91.05487	3.1
93.07048	2.3
95.04977	0.8
95.08614	2.5
97.06530	0.4
97.10134	0.5
97.89289	0.4
98.97541	0.8
103.05445	0.8
105.07027	2.7
107.04906	1.0
107.08588	1.6
109.06472	0.5
109.10108	0.6
111.04456	0.4
115.05454	0.9
117.07021	0.9
119.08607	1.0
121.02913	0.9
121.06493	0.5
121.10116	1.3
128.06219	0.7
129.07016	1.0
131.04921	0.7
131.08566	0.8
133.10100	0.8
135.11661	2.3
136.09015	0.4
137.02347	0.4
141.06990	5.7
143.08528	0.5
145.06514	0.5
145.10114	2.1
147.04401	0.7
149.02339	0.5
153.07019	0.7
153.12665	0.4
155.04900	1.8
157.06471	1.0
157.10193	0.5
162.72818	0.5
163.11220	2.1
165.01839	0.8
165.06912	0.5
167.03490	0.5
168.26625	0.4
169.06514	4.6
171.07986	0.6
171.11609	0.5
177.05453	1.5
181.06490	1.4
181.12221	0.7
183.02963	0.8
183.04417	3.1
184.05142	0.8
185.06046	0.7
187.03911	0.8
191.10611	0.4
195.08110	0.5
197.06000	10.0
199.07623	0.8
199.15013	0.4
205.04935	3.4
212.04639	0.7
215.06934	0.6
223.07634	0.7
224.04729	0.6
225.05470	37.1
226.05768	0.6
227.07111	2.5
227.10677	1.1
227.12804	3.6
239.07057	1.0
240.04250	2.5
240.07803	1.0
253.04968	26.3
255.06502	2.8
265.08502	1.1
267.06543	1.6
268.03641	1.5
268.07208	1.8
269.10687	0.5
283.05994	100.0
283.09543	18.1
283.20520	1.6
283.24063	0.8
284.06335	1.7
284.09497	0.6
287.11627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1199
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
54.34253	0.2
55.01867	0.8
56.96570	1.0
57.03434	0.7
59.04998	0.8
61.02925	0.4
68.00996	0.2
69.03431	2.7
69.07069	0.8
70.06596	0.6
70.22742	0.5
70.23137	0.4
71.04993	0.3
72.08180	0.4
73.02926	0.2
75.04488	0.4
81.03433	0.4
81.04546	0.7
82.04896	0.2
82.05341	0.3
83.05637	0.3
84.08146	0.7
85.02926	1.3
87.04468	0.6
91.05492	0.4
94.04066	0.6
95.04949	0.3
97.02867	1.1
98.97579	0.9
101.06013	1.0
103.07542	0.3
108.05263	0.2
109.02888	0.5
112.07611	0.5
115.03941	0.3
116.98623	0.6
119.03545	1.4
120.08124	0.3
121.08472	0.3
122.07101	0.6
123.07983	3.0
124.08321	2.8
127.03947	0.5
129.05525	0.2
133.45387	0.2
136.06194	100.0
137.04605	0.8
137.05937	0.8
140.07043	0.7
145.04916	0.2
146.99806	0.2
147.06535	0.4
150.07770	1.2
162.04149	0.3
163.04475	0.4
163.08667	0.2
168.06587	0.7
169.04997	0.6
186.36345	0.2
200.55103	0.2
201.00787	0.2
201.04344	0.2
206.11708	1.1
264.08615	0.2
264.12125	0.4
282.11490	3.8
282.22119	0.3
283.09732	0.4
285.84088	0.3
300.06549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74911	1.1
53.03936	2.9
55.05496	2.8
56.96599	1.3
63.52728	1.0
65.03937	2.6
67.05479	2.5
69.03419	4.4
69.07061	2.2
70.02975	5.1
70.35133	2.6
71.01344	3.8
72.00867	1.1
74.02443	19.5
76.62885	0.9
79.05062	1.4
79.05495	20.3
81.07062	12.2
81.69273	1.1
88.03484	2.3
88.03999	34.1
91.05488	25.4
92.71644	0.9
93.07050	70.9
95.04961	3.8
95.08606	2.5
97.02864	1.4
98.20830	1.3
98.97611	1.5
103.05474	1.0
105.07043	16.4
107.04951	2.0
107.08602	96.2
109.06541	7.2
110.06056	9.2
116.03465	13.1
119.06066	3.0
119.08628	2.5
120.04459	1.0
120.08101	5.1
120.08870	1.3
121.06536	7.6
121.10153	100.0
123.11719	10.0
129.06944	1.4
130.06419	1.0
131.07626	1.1
131.08530	6.0
134.04497	49.1
138.86615	1.1
148.07538	1.2
149.09624	44.6
156.02261	1.0
167.08600	1.0
176.10681	3.2
180.75180	1.0
187.06267	1.0
190.12279	1.1
208.06026	2.3
218.11794	6.3
220.13399	1.9
236.10672	1.3
236.12804	8.7
247.03436	1.1
264.12366	7.3
282.13458	6.5
282.21951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	23.9
55.05503	1.4
56.96553	2.6
67.05493	3.7
69.03432	7.9
69.07068	89.3
69.22818	7.6
70.06591	14.5
72.08144	3.2
73.02905	0.9
77.43744	0.7
79.05471	2.1
81.03397	2.0
81.07050	1.4
84.04520	1.2
84.08146	6.7
85.02887	2.3
86.09729	1.2
87.04456	1.6
88.03989	1.4
88.07622	3.4
89.07958	1.7
91.05497	1.1
93.07075	1.9
94.60214	0.8
95.04965	8.2
97.02894	17.2
97.06532	17.2
98.20772	1.6
98.97607	4.4
105.07010	0.9
107.04978	0.8
109.02871	1.6
110.97536	0.8
111.04430	1.9
112.07605	15.3
116.98612	2.1
120.08089	1.7
121.02853	2.6
121.08436	2.4
122.06049	1.2
123.04415	4.2
127.03939	1.7
134.09676	1.8
136.07545	3.4
137.05957	5.1
139.03876	0.9
140.07062	76.1
141.05458	3.0
150.05470	0.8
150.07793	1.2
155.67387	0.8
157.07616	1.1
161.01254	1.4
164.07048	2.2
168.06560	63.6
169.04967	61.2
177.00797	1.3
184.08804	0.8
206.11824	4.3
219.01656	1.0
224.09279	1.0
236.09210	2.0
239.42468	0.8
250.97572	0.7
263.64850	1.0
265.70596	0.8
282.09711	100.0
282.22180	2.3
282.27676	1.2
283.09793	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	7.5
70.17760	2.0
71.95261	1.8
85.21150	0.5
88.55128	0.5
98.97590	100.0
116.98631	34.8
134.35608	0.4
134.99660	7.4
140.00281	0.5
140.26978	0.4
142.39082	0.4
156.48619	0.5
174.48080	0.4
180.51662	0.4
189.09030	0.4
191.45384	0.5
234.99834	0.6
240.98674	3.9
258.99792	36.1
260.00049	0.5
277.00827	49.1
278.00998	1.0
300.02432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99756	0.7
51.73476	0.7
53.03939	1.1
53.95042	0.8
55.01626	1.7
55.01873	21.9
55.05507	1.1
56.96569	3.7
67.05492	3.3
69.03070	1.0
69.03428	10.7
69.07071	79.3
70.06256	0.9
70.06601	12.0
70.07381	0.9
70.84844	2.3
72.08140	2.3
73.02909	1.0
73.04675	0.7
79.05486	1.8
81.03412	3.1
81.07033	1.0
82.06580	1.2
84.08163	3.7
85.02895	1.7
86.09737	0.8
88.03987	1.3
88.07645	2.1
89.07977	1.0
91.05473	1.4
93.07023	1.1
94.06546	0.8
95.04961	9.2
97.02898	16.6
97.06532	16.3
98.97575	4.5
99.04455	1.4
105.07072	0.7
107.04951	2.2
107.08577	1.1
109.02924	3.9
111.04420	1.3
111.87598	0.8
112.07613	16.6
115.03949	1.4
116.98641	1.7
119.08623	0.8
120.04469	2.8
120.08098	1.5
121.02879	6.0
121.08446	1.7
122.03650	1.0
122.06039	2.1
123.04439	4.0
126.01060	0.8
127.03881	1.9
128.98624	0.9
131.08507	0.9
134.09625	1.7
136.06194	1.7
136.07578	2.0
137.05939	10.1
138.09129	1.4
140.07071	66.2
141.05434	2.5
143.00140	1.0
149.05960	0.8
150.05496	1.2
150.07761	1.9
156.02612	2.2
157.07637	1.6
158.99603	0.9
162.05487	1.4
164.07057	1.3
165.09071	0.9
167.06918	1.0
168.06573	63.8
169.04974	59.9
178.03807	0.8
184.08669	1.9
202.08679	1.1
206.11781	1.8
218.08072	0.8
219.01778	1.6
220.45203	0.9
222.07599	1.3
236.09161	2.0
237.02882	1.9
246.11189	1.1
254.13757	1.0
264.08591	1.0
264.12189	1.2
282.09717	100.0
282.22208	2.2
283.09766	2.4
300.06259	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Nardosinanol I
Peak:m/z	Relative Intensity
52.67949	0.5
53.03946	0.6
55.01878	5.8
55.05497	2.9
56.96556	2.0
57.03416	0.6
57.07072	1.2
62.27460	0.6
65.34116	0.7
67.05492	2.5
69.07066	1.6
71.04995	6.1
71.08606	2.0
71.58263	1.1
79.05477	2.8
81.03387	0.9
81.07076	4.1
83.04977	1.1
83.08640	0.7
87.04460	0.8
91.05482	5.1
93.07041	2.8
95.04973	0.9
95.08598	3.4
97.06541	1.5
97.10203	0.7
98.97566	1.7
98.98490	0.6
99.04449	2.5
99.08080	0.8
99.55156	0.6
99.95477	0.6
103.05479	0.6
105.07029	4.5
105.29562	0.6
107.04951	1.5
107.08609	3.7
109.06498	2.7
109.10150	2.3
111.04457	2.0
111.08104	0.8
112.28168	0.6
116.98617	0.9
117.07022	0.7
119.08592	3.8
121.10125	2.2
123.08080	6.5
125.06004	1.2
129.07045	1.1
131.04942	0.8
131.08597	1.0
133.10126	3.5
135.08069	2.7
135.11699	1.3
137.05975	2.0
137.09625	1.1
139.07489	0.9
142.07825	0.7
143.08549	1.1
145.10114	1.9
147.04410	0.9
147.08044	2.2
147.11700	1.4
149.09566	0.9
149.13249	0.7
151.07561	5.2
152.08376	3.3
157.10153	1.4
161.09586	2.8
161.13258	0.8
163.07603	1.4
164.08289	1.3
165.09122	16.6
165.12767	1.1
166.09773	1.0
171.11731	1.0
175.11197	3.0
177.01848	1.9
178.09891	2.9
179.07001	1.0
179.08502	0.8
179.10689	2.7
179.14308	1.2
189.09166	1.1
191.14339	0.8
193.08577	1.9
193.12250	3.3
199.14825	1.5
203.07030	1.8
205.08499	0.9
207.08073	0.6
207.10208	1.0
207.13724	3.1
208.14621	8.2
209.15341	3.9
217.15901	1.8
219.13863	1.5
219.17462	0.8
221.15375	6.9
235.07529	1.3
235.16948	23.6
263.07050	2.3
263.16440	54.5
266.05731	1.3
281.08069	4.9
281.11594	2.6
281.17487	100.0
282.17752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82941	0.5
57.14558	0.5
59.23477	0.5
60.49396	0.6
67.05531	0.7
69.07085	4.2
70.06592	0.9
71.57616	0.7
72.08166	0.7
79.05495	3.6
81.07053	1.2
83.06102	0.5
85.06576	0.5
86.09712	12.9
87.10041	1.6
91.05483	4.4
93.07018	1.7
95.04977	0.7
97.02898	1.2
98.97575	1.2
103.05465	8.3
105.07037	49.0
107.04950	4.3
107.08593	0.6
109.10170	0.6
116.98677	0.7
117.05756	1.1
117.07009	1.4
118.06540	1.0
119.06548	0.9
119.07333	9.7
120.08109	22.4
121.06528	1.4
121.08447	3.4
129.07011	3.5
130.06496	1.0
131.04935	3.7
132.08098	21.2
146.09627	4.8
147.76956	0.6
149.02354	2.3
150.02695	2.0
151.04910	0.8
154.26570	0.6
178.08635	1.7
182.06697	0.8
188.14352	42.0
206.15392	1.4
218.97598	0.5
234.14899	100.0
235.15239	1.2
239.94797	0.6
261.96637	0.6
262.10721	0.8
280.15518	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	281.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86588	0.4
54.03465	2.1
55.04259	2.9
55.05511	1.1
56.05035	1.1
56.96561	2.0
57.07060	0.4
67.05498	0.6
69.03426	1.5
69.07056	1.0
70.02939	1.4
70.06593	1.9
71.57431	0.6
72.08163	2.5
73.04740	0.5
74.06085	0.9
79.05492	0.9
81.03402	0.6
81.04544	12.5
81.07083	1.0
82.05328	8.6
83.05000	0.6
84.08154	2.0
85.02908	2.0
86.09706	0.9
87.05611	0.6
88.03989	2.7
91.05460	2.7
92.05815	0.9
93.07038	1.2
95.04961	0.9
95.08630	1.1
97.02881	1.3
97.18106	0.5
98.97585	3.2
103.05478	1.8
105.07027	0.9
106.04906	0.5
108.05621	0.5
109.02887	1.3
110.97527	0.5
116.98618	1.4
119.03545	2.7
119.04923	0.6
120.06580	2.2
120.08111	8.1
121.08469	1.0
122.07158	19.3
122.08046	1.0
123.07941	100.0
125.02330	0.6
129.05087	0.5
129.07002	0.7
130.06516	0.6
131.04895	0.9
131.08524	0.5
135.06664	1.4
135.60330	0.5
136.06192	47.1
137.04573	0.7
137.06007	1.1
140.07018	0.7
143.04898	0.6
145.06375	0.6
147.04401	0.9
149.02315	0.5
149.05888	0.5
152.07077	0.9
157.06577	0.5
158.99725	0.8
160.04245	1.2
161.01285	0.7
161.05954	0.6
162.04117	22.0
163.02736	0.8
165.07745	5.7
166.05186	0.8
166.08681	2.4
172.07706	0.7
173.05927	0.6
175.04692	0.5
175.08702	1.2
176.09007	0.5
177.00697	0.7
185.03008	1.5
193.04341	0.7
194.04651	2.6
200.05263	0.9
200.07069	1.6
201.07358	1.6
203.07057	1.0
209.03831	2.0
219.01698	0.8
219.06682	0.6
222.09557	0.8
235.05362	1.5
235.10783	1.7
245.12852	1.2
246.07492	0.6
247.07898	1.0
263.14005	2.3
266.99841	1.0
269.05127	0.8
281.06238	3.1
281.10672	69.4
281.14987	2.9
283.03122	1.0
299.06186	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	279.2321
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03939	1.2
55.05516	7.9
57.07069	3.7
65.03930	2.9
67.05511	100.0
69.07080	8.3
71.02291	2.2
78.05026	1.0
79.05493	11.0
81.07063	95.4
83.08628	4.2
89.48229	1.0
91.05488	4.5
93.07059	9.2
95.08617	71.1
97.10176	2.3
102.54660	0.9
105.07030	3.3
107.08592	5.8
109.10166	43.6
109.10912	2.3
111.08086	1.0
111.11765	1.2
117.07055	1.1
119.08591	3.5
121.10173	5.9
123.08095	1.7
123.11723	27.0
127.07551	1.3
131.08611	2.5
133.10132	2.4
135.11708	4.2
137.09671	1.5
137.13264	10.0
145.10129	2.0
147.11731	2.1
149.01265	1.7
149.02351	14.2
149.09630	1.5
149.13287	2.0
151.14848	1.3
159.11732	2.4
161.13255	2.6
162.22694	1.1
163.11235	1.5
163.14841	2.0
173.05940	1.8
173.13190	1.4
177.12762	2.3
177.16397	1.6
179.08569	0.9
181.12236	1.5
187.14815	3.2
195.13890	1.8
201.05499	3.6
209.15456	2.6
219.05724	1.3
223.17087	2.3
243.21085	1.5
261.22171	3.5
279.10114	5.5
279.20300	2.0
279.23230	33.5
300.13910	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03947	1.8
55.01868	0.7
55.05515	9.6
56.96574	4.4
57.03434	1.0
57.06812	0.8
57.07080	9.1
59.84402	0.6
65.03932	3.5
67.05508	100.0
68.05830	0.7
69.03455	0.7
69.07072	12.0
71.04989	1.4
71.08635	0.8
71.57746	0.8
75.52654	0.5
79.05495	15.4
81.03413	0.8
81.07061	97.1
83.04966	1.0
83.08630	6.8
85.06557	1.9
91.05487	14.5
93.07050	14.4
93.71815	0.6
95.04984	2.0
95.08612	76.4
97.06546	1.6
97.10160	2.9
98.97570	3.0
103.05468	4.3
104.51727	0.6
105.03437	1.2
105.07041	5.5
107.04963	0.8
107.08599	11.1
109.06553	1.4
109.10162	48.3
110.97606	0.9
111.08109	1.4
111.11729	1.2
115.05468	2.1
116.98635	1.6
117.07014	2.9
119.08572	6.0
121.02866	2.1
121.06538	0.6
121.10143	8.7
123.08076	1.7
123.11715	24.6
123.66532	0.6
125.09691	1.0
127.07584	0.9
128.98567	0.8
129.07030	1.6
131.04961	1.9
131.08603	3.4
132.13335	0.6
133.06607	1.0
133.10156	3.2
135.08061	1.6
135.11687	6.1
137.09612	1.6
137.13264	8.9
145.06493	2.5
145.10150	3.6
147.11740	3.3
149.02351	41.6
149.09651	2.1
149.13255	3.3
151.11201	2.1
151.14841	3.5
158.91386	0.5
158.99623	0.6
159.11694	2.7
160.05180	0.7
161.06003	6.2
161.13266	2.6
163.11258	1.8
163.14842	2.0
165.07014	1.3
165.12790	1.8
165.16441	0.9
167.03528	1.2
167.10735	0.9
170.86205	0.6
173.05994	14.5
173.13251	3.4
177.00787	0.9
177.12755	1.9
177.16481	1.4
178.07835	2.1
179.08551	0.9
179.14345	0.9
180.09273	0.8
181.12263	1.9
187.14754	3.0
188.04733	1.0
189.00688	0.7
190.07759	1.1
191.08632	1.9
191.14369	1.0
193.10106	0.9
195.13806	2.0
201.05487	20.5
201.16455	1.2
202.07918	0.6
203.08636	1.6
204.09303	0.7
205.10156	1.2
205.15910	1.0
207.08238	0.9
209.15436	2.4
211.07532	0.7
218.07376	1.1
219.05849	0.8
219.08014	1.0
219.21130	0.9
220.08963	0.7
221.06047	0.8
223.11232	1.2
223.14990	0.9
223.16869	3.1
233.09610	0.9
235.06268	1.9
235.56578	0.9
237.02858	0.7
237.18488	0.8
243.21053	2.8
244.06752	4.3
244.56905	0.7
246.57098	0.8
247.07465	0.7
251.10678	4.0
255.57626	1.8
261.09171	1.9
261.22217	3.7
264.07877	1.3
279.06647	1.3
279.10187	32.2
279.13550	2.5
279.19922	2.1
279.23233	35.9
280.10413	0.8
280.23636	1.0
280.26306	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	279.1704
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
53.03952	0.4
55.01854	0.4
56.05054	0.3
57.07080	2.1
62.76765	0.3
64.79771	0.3
65.03944	0.6
67.05507	0.7
68.71085	0.3
69.04800	0.3
69.07079	0.6
71.04988	0.7
71.58293	0.4
72.08141	0.4
74.88811	0.3
79.05489	1.0
80.31758	0.3
81.03452	0.5
81.07053	0.9
85.02905	0.7
86.09710	40.7
91.05468	2.0
93.07051	2.9
95.04977	0.7
95.08594	0.8
97.02889	0.6
98.97576	0.8
99.04469	1.0
102.05541	1.2
103.05461	5.9
105.07035	1.3
107.08591	0.8
109.06564	0.4
109.10162	0.4
111.04436	0.3
111.08074	0.4
117.03266	0.4
119.06145	0.3
119.08633	0.7
120.08111	100.0
121.02849	1.1
121.08466	0.9
123.08082	0.3
124.07571	0.6
128.03951	0.3
132.10196	2.1
133.06474	0.4
133.10133	0.5
135.08038	0.4
135.11665	0.4
136.07593	1.5
138.09157	0.7
144.08069	0.4
147.11684	0.4
149.01131	0.7
149.02348	13.3
149.09647	0.4
154.08632	1.4
157.10254	0.3
159.11760	0.5
161.05974	0.4
161.09550	0.4
166.08636	3.6
175.03889	0.4
205.08604	0.4
215.02917	0.3
216.10104	0.3
221.08105	0.5
222.14362	0.3
229.13335	0.6
233.16469	1.1
261.12180	0.3
261.14975	0.5
279.05212	0.7
279.08453	0.6
279.17105	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	279.1705
Annotation	Leu Phe
Peak:m/z	Relative Intensity
55.01864	0.3
56.05041	0.4
57.05812	0.7
57.07072	1.6
58.06610	0.4
61.11028	0.3
67.05499	0.8
69.03439	0.4
69.07076	13.0
69.07455	0.7
70.18458	0.6
70.18814	0.9
77.90936	0.3
79.05492	0.7
81.03430	0.4
81.07072	0.8
83.05012	0.4
86.09712	100.0
88.74612	0.3
91.05498	1.0
93.07069	0.7
95.04974	0.3
95.08594	0.4
97.06555	0.3
98.97590	1.4
103.05476	0.8
105.07039	0.8
107.04986	0.6
109.06489	0.3
109.10178	0.6
110.06059	1.0
116.98653	0.6
119.08605	0.7
120.08115	13.6
121.02912	0.4
124.07614	0.6
125.08395	1.2
133.10191	0.4
136.07521	0.3
137.05994	0.3
145.10181	0.5
149.02365	10.2
166.08636	5.9
177.05482	0.4
219.06508	0.4
220.06953	0.4
233.16519	0.4
244.09697	0.5
261.12207	0.6
262.08047	1.3
279.10269	0.4
279.13361	1.4
279.17056	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.05515	36.0
57.07077	3.8
58.06590	2.3
58.99588	18.2
59.07388	1.3
60.08173	6.9
61.01154	1.2
63.04099	0.7
65.03922	1.1
66.61292	0.8
67.05508	1.6
69.03416	1.7
70.06589	0.9
70.32278	0.7
70.83800	2.0
72.08121	1.0
73.01125	2.3
76.02228	5.8
76.03990	3.4
76.75444	0.8
79.05470	1.5
79.17319	0.7
81.03407	2.2
81.07043	2.1
82.06004	0.7
83.08138	1.5
83.08626	26.5
86.09718	1.3
86.98598	1.1
86.99065	14.7
88.02225	3.9
91.05502	2.2
92.98322	0.8
93.07040	1.0
94.06566	0.9
95.04977	1.8
95.08601	1.9
97.02870	1.1
98.97587	1.7
101.09623	2.3
103.05440	0.8
105.07057	1.6
107.08594	1.8
116.01688	57.3
119.04961	1.3
119.08546	1.0
120.04461	2.0
121.02849	1.6
127.03902	0.9
130.05098	0.9
130.06560	1.4
131.04929	1.2
131.08609	1.1
144.01155	24.8
145.06508	1.0
146.06039	6.4
147.04431	2.2
147.08066	1.4
148.03925	4.8
149.02348	18.2
150.05486	1.4
158.99619	1.0
159.08394	6.9
161.05954	0.8
162.02213	100.0
173.06032	0.9
173.09660	1.3
174.05492	3.7
177.00797	0.9
177.05554	1.2
191.05682	1.0
192.06612	3.3
201.05606	0.8
202.05026	1.7
219.10204	1.1
220.05962	1.5
233.08070	1.1
262.11105	19.7
279.09216	1.7
279.13257	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	279.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05505	1.8
56.05041	5.4
56.96344	0.6
56.96571	4.5
57.03434	1.0
57.07082	7.1
58.06587	2.0
61.01179	0.6
62.74287	0.5
65.03928	1.1
67.05503	1.8
69.03429	2.3
69.07082	0.9
69.52769	0.5
70.02832	2.2
70.06586	1.8
71.05002	0.9
71.08655	0.5
72.08163	14.3
74.06079	3.2
78.03455	2.1
79.05496	2.4
80.05018	1.7
81.03426	2.0
81.07056	2.2
82.06593	0.7
83.04990	1.5
84.04507	1.9
84.08144	1.3
84.96043	0.8
85.02894	3.2
91.05470	2.1
93.03439	0.7
95.04967	0.7
95.08593	1.0
96.08121	0.6
97.02854	3.2
98.21391	0.9
98.97008	0.9
98.97594	9.9
102.05548	100.0
103.05467	0.6
105.03398	0.7
105.07036	1.5
106.02927	11.9
107.04955	0.9
109.02880	1.1
109.10152	1.1
110.97562	1.8
112.11237	1.4
115.22813	0.5
116.07071	1.1
116.98606	5.2
117.07024	1.0
119.04935	1.6
120.08141	0.7
121.02873	3.8
123.08100	0.5
123.11639	0.8
124.03967	4.1
128.10742	2.6
128.98618	2.0
130.06557	0.7
131.04965	0.7
131.08572	0.8
133.06425	0.8
134.99641	1.6
136.07593	1.2
138.05479	0.9
140.07024	0.5
145.05008	0.6
145.06482	0.9
146.06024	1.0
146.99644	1.2
147.04417	1.7
147.08014	0.9
149.02348	57.6
156.10210	23.6
156.11282	0.5
158.99628	3.4
160.07614	1.7
161.06087	0.5
163.07538	0.7
165.04909	0.8
167.03368	0.9
170.99680	0.6
173.06082	0.9
173.24609	0.5
177.00717	4.4
180.06490	0.6
182.05353	0.8
182.06998	1.9
189.00671	1.5
191.05672	1.0
191.07188	0.7
193.04308	4.7
197.06206	0.7
201.00716	0.9
205.06075	0.7
205.08656	0.7
207.05200	1.0
216.05859	0.6
219.01668	1.0
219.06166	0.6
233.08128	1.1
233.12898	7.8
237.02847	1.1
251.13960	14.2
256.09012	0.7
261.12061	1.1
269.05487	1.1
277.67029	0.6
279.08759	1.5
279.13416	56.1
280.13574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	13.2
57.03431	2.2
69.72496	4.5
69.72903	5.9
81.03436	2.0
82.06581	1.7
84.08146	2.4
85.02916	2.3
95.18153	1.6
97.02924	2.8
98.20814	2.6
98.97592	100.0
100.07626	1.9
100.99175	2.6
110.97585	23.8
116.98634	25.6
128.98615	14.4
134.99655	6.0
143.00200	3.3
146.08228	2.4
146.99687	7.2
158.99681	36.8
170.99634	10.2
177.00732	31.7
189.00711	14.8
198.04695	2.4
207.01859	9.7
207.05273	3.6
219.01814	4.8
237.02859	9.0
255.03906	2.1
279.04828	10.9
279.09381	6.4
295.08554	2.6
297.08691	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30536	0.4
53.03944	0.8
55.01865	1.1
55.05513	2.8
56.96565	18.0
57.03437	2.1
57.07059	2.0
57.79038	0.4
58.06601	12.2
59.05001	0.8
59.07381	4.4
60.08163	21.4
60.95828	0.7
61.02926	1.7
65.03929	0.5
67.05501	1.4
67.95923	0.4
69.03429	5.1
69.42467	2.7
69.42874	0.7
70.06593	1.2
70.98093	0.5
71.04999	3.0
71.95266	1.4
72.08159	1.8
72.96000	0.5
73.02916	3.5
73.06550	2.5
79.05484	0.5
81.03424	2.1
84.08131	1.2
84.96033	2.4
85.02419	0.6
85.02908	8.2
86.09752	0.6
86.97575	0.7
87.04456	1.5
89.06029	1.8
91.05457	0.6
92.04990	0.6
95.06057	0.6
97.02908	5.2
97.06516	0.4
97.96819	0.5
98.03265	0.4
98.20739	0.8
98.97587	100.0
99.04458	1.4
99.97865	0.5
100.99123	0.7
101.02353	0.4
102.05588	0.6
102.96879	3.2
109.02890	1.6
110.01237	0.5
110.07162	0.6
110.97572	18.9
111.97916	0.4
112.99175	2.2
113.06013	0.7
116.98627	37.3
117.03951	0.7
118.98199	0.6
119.01857	1.0
120.04475	0.8
120.08107	1.3
120.97900	0.8
121.02922	0.6
121.44115	0.4
124.99123	1.7
127.03913	1.5
128.02342	1.1
128.98616	15.5
129.02249	1.2
130.02870	1.2
130.06532	8.3
130.08633	1.4
131.00200	3.0
132.04443	1.2
132.98033	0.8
134.99658	8.8
137.05936	0.5
138.07158	0.4
140.00169	1.1
140.98560	0.8
143.00186	3.1
143.01878	0.9
145.01726	0.7
145.04930	0.9
146.04134	1.4
146.06024	12.8
146.99677	6.2
147.03247	1.9
147.04320	0.5
148.03938	59.4
148.07593	1.9
149.01213	1.5
149.02315	8.3
150.99188	0.5
152.98616	0.8
153.00644	0.6
153.05800	1.9
154.03864	0.6
155.04669	8.0
155.54776	0.9
156.04449	1.2
158.01198	0.6
158.06018	4.3
158.99658	36.5
159.99983	0.6
161.01205	2.0
161.03011	0.5
161.04623	1.1
161.06598	1.4
161.54672	0.9
163.02812	0.7
163.04358	0.8
164.05171	3.1
165.00714	1.8
165.04289	0.5
170.05165	0.6
170.99661	9.3
171.01024	0.7
171.03249	0.7
173.01233	0.8
173.04707	0.5
174.05499	7.8
174.99083	0.7
176.07068	0.4
177.00714	34.0
178.01222	0.7
182.03461	0.6
182.05217	1.1
182.99640	1.0
184.03937	1.3
185.06577	0.6
187.02762	0.6
187.12352	0.5
189.00717	15.7
189.04291	0.9
191.02205	1.2
191.03989	0.8
191.05788	1.7
193.00261	0.7
195.01785	2.0
197.01213	0.7
198.04642	0.5
200.02258	1.4
201.00682	2.1
202.05016	3.6
203.02200	0.5
203.07637	1.4
205.00105	0.6
205.05492	1.4
206.06137	0.6
207.01770	8.4
207.05264	0.7
212.02356	0.7
212.06232	1.7
215.07687	0.7
219.01765	7.1
219.05269	1.0
220.06053	4.8
221.06818	0.8
223.01164	0.6
227.06770	1.5
227.57039	1.0
230.03302	0.5
231.01819	0.6
233.03642	0.5
233.12431	0.7
233.56992	0.5
233.99565	0.7
237.02832	10.9
242.57637	0.5
249.02901	0.6
251.04292	0.6
253.07750	0.5
255.03925	4.8
256.04837	0.7
260.95639	0.5
261.02759	0.6
261.12424	2.6
269.05640	0.9
274.05823	0.8
278.96915	2.9
279.03952	4.9
279.13409	64.9
280.13733	0.4
288.05118	0.8
291.07465	1.9
295.07019	0.5
296.97827	1.7
297.05005	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	279.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14984	0.5
52.65507	0.5
54.50704	0.6
56.96571	10.5
69.26180	0.5
69.59361	0.5
69.84602	3.2
71.29446	0.5
71.95279	1.1
81.03425	1.1
83.23809	0.6
84.08155	2.6
84.96031	2.2
86.97602	1.0
98.05997	0.6
98.97591	100.0
100.99161	1.4
101.00900	1.1
103.00639	1.4
110.97578	8.8
112.99142	2.3
114.97064	1.2
116.98635	30.2
119.01922	1.2
121.01711	1.8
124.99116	3.3
128.98608	7.2
130.08617	0.7
131.00171	2.2
132.98096	1.6
134.99678	5.3
140.00186	0.9
140.98598	1.3
143.00192	6.1
143.01912	0.6
144.98091	0.8
145.01750	0.9
146.99664	3.5
147.42482	0.5
149.01160	0.6
150.99149	1.4
156.00217	1.6
156.98044	1.0
158.99669	40.6
159.03226	1.7
159.07576	0.5
160.00371	0.7
161.01274	2.3
161.02945	0.9
163.02754	2.0
165.00693	3.1
168.00160	1.1
170.99660	3.9
173.01254	1.5
174.99187	2.1
177.00731	38.8
187.02669	0.6
189.00725	7.9
189.02335	0.8
191.02350	1.7
192.01297	1.2
193.00206	4.2
195.01836	1.5
198.01231	2.9
200.02310	0.7
207.01802	6.7
209.03424	0.6
213.01855	1.3
219.01756	11.5
221.51695	0.6
221.54158	0.6
222.02269	1.2
237.02841	25.4
255.03905	13.1
261.02792	0.6
269.05487	0.6
279.04379	15.2
279.07660	1.9
279.15436	0.6
297.05011	6.9
297.08652	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	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70991	0.4
54.98627	0.4
55.01878	0.6
55.05513	0.7
56.96567	12.0
57.03433	1.3
57.07089	0.6
58.06592	1.6
59.07389	0.5
60.08178	2.8
60.95851	0.7
61.02923	0.9
68.96581	0.6
69.03442	2.5
70.06557	0.6
70.32489	1.1
70.32880	0.9
70.98116	0.7
71.04984	0.8
71.95265	1.2
73.02918	1.8
81.03426	1.4
81.07036	0.5
83.08587	0.8
84.08156	1.0
84.96033	1.3
85.02906	4.1
87.04468	1.0
95.06097	0.4
97.02905	3.5
98.97589	100.0
99.04462	0.9
99.97879	0.5
102.96868	2.4
107.03716	0.5
109.02895	1.1
110.07212	0.9
110.97576	20.9
112.99149	1.6
116.23024	0.5
116.98630	32.5
120.97968	1.1
124.99132	1.3
127.03974	0.7
128.98616	14.2
130.06534	0.9
130.08592	0.6
131.00182	1.9
133.01717	1.2
134.99692	4.5
140.00160	1.0
140.98618	1.7
143.00179	3.7
144.98157	0.7
145.01700	0.6
145.05046	0.9
146.06042	1.7
146.99661	4.7
147.03180	0.7
148.03931	9.7
149.01247	0.9
149.02289	2.6
153.03123	0.6
157.01741	0.8
158.06027	0.6
158.99667	39.8
159.03322	0.9
160.03865	1.2
161.01247	1.5
161.04665	0.8
165.00784	0.9
170.05223	5.4
170.99652	10.6
173.01289	0.6
174.05553	0.9
177.00725	33.7
177.04257	1.7
182.05214	0.6
182.99623	0.7
189.00722	16.8
189.02350	0.9
189.04199	0.7
191.02397	0.6
191.05814	1.1
195.01740	2.3
200.02315	0.8
201.00725	1.5
202.04950	0.9
205.05513	4.7
207.01790	9.5
207.05031	0.8
219.01782	7.8
219.05331	2.1
220.06093	0.6
222.65535	0.5
237.02824	11.9
247.04034	0.5
249.02687	0.6
251.04494	0.7
255.03859	5.0
261.08566	0.5
261.12100	0.5
269.05515	1.0
278.96881	3.0
279.03909	6.1
279.09265	0.5
279.10391	0.8
279.13422	8.6
279.16174	0.9
295.07004	1.0
296.97931	1.1
297.05038	2.7
297.08600	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	0.9
56.96570	17.0
57.07067	2.9
61.68186	0.7
70.91381	1.0
70.91712	1.2
71.95276	1.2
84.96043	0.9
86.59850	0.6
98.97590	100.0
102.96889	1.7
104.99299	1.2
110.97576	23.5
116.98631	49.9
120.97964	0.9
121.02858	1.1
122.57610	0.7
124.95524	1.2
124.99146	0.9
128.98613	25.0
128.99567	1.5
131.00235	0.9
134.07600	0.7
134.99661	15.2
140.00189	4.6
140.98552	0.9
142.96556	1.9
143.00168	1.8
145.37535	0.7
146.99655	10.7
149.01167	1.6
149.02350	21.8
152.00246	1.6
153.00726	1.1
158.01256	2.0
158.99663	33.9
160.97574	2.3
165.00650	0.7
170.99663	13.5
173.06050	1.0
177.00728	45.6
182.99683	2.0
189.00716	23.7
195.01773	2.9
198.89900	0.7
200.02303	6.6
201.00729	5.3
207.01787	10.5
212.00427	0.7
212.02383	2.0
219.01701	5.1
224.02219	1.0
228.90204	0.8
230.03426	1.8
232.92755	1.4
232.96193	2.8
232.99821	1.2
237.02850	7.9
244.06792	2.3
244.57088	0.8
249.02805	1.2
250.97227	1.9
255.03938	2.4
260.04428	0.9
270.91144	1.1
277.00793	1.2
278.96875	1.5
279.03833	6.2
279.54669	0.8
288.92154	2.0
297.05072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2117
Annotation	Neostenine
Peak:m/z	Relative Intensity
53.03946	1.4
55.05521	6.6
56.23164	1.0
57.07077	2.3
60.04264	1.3
60.04527	11.7
67.05511	12.5
69.07071	61.9
69.32565	9.7
70.06606	5.6
71.04982	1.4
77.59320	1.0
79.05487	5.9
81.07057	22.5
83.08619	4.1
83.99337	1.1
87.81158	1.1
91.05490	6.6
93.07058	17.9
95.04975	12.6
95.08609	16.0
97.06514	3.6
98.06066	1.6
98.21443	2.2
105.07034	15.0
107.08602	19.5
108.08121	9.6
109.06511	6.7
109.10155	20.9
110.06043	3.7
111.08079	1.1
112.07633	1.5
115.05491	1.0
117.07008	3.9
119.08585	8.4
120.08087	5.1
121.06514	13.9
121.10151	7.8
123.08082	2.0
123.11706	5.1
130.07790	1.9
131.08557	3.5
133.10077	5.4
134.09668	10.7
135.08069	21.0
135.11679	7.0
136.11230	1.7
137.09628	2.5
143.08586	1.0
145.10144	11.6
147.11650	2.1
150.09109	10.1
151.11139	1.5
159.11687	8.1
161.13222	3.2
162.09155	3.2
163.11159	2.1
166.05927	1.1
174.32872	1.1
175.14761	1.9
176.10715	9.4
201.16389	5.7
210.14977	2.7
218.19049	3.0
219.17461	2.5
231.57280	2.2
236.20103	8.0
243.05980	1.7
278.21170	100.0
279.21643	1.2
295.31601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.3
55.01878	6.7
55.05518	10.5
56.05025	2.3
56.96288	1.9
56.96568	38.9
57.03437	9.3
57.07080	10.1
58.06593	2.2
59.04988	2.3
61.02940	7.4
67.05511	14.6
69.03432	17.9
69.07066	6.3
70.06594	6.5
70.21933	4.5
71.01365	1.5
71.04993	8.8
71.95245	1.8
72.08146	4.7
73.02903	7.8
73.06554	6.1
79.05475	2.0
81.03410	6.2
81.07035	2.8
83.04980	3.0
84.08154	11.5
84.96040	8.3
85.02909	23.9
85.06066	2.0
85.06548	25.9
85.08900	1.7
87.04457	4.3
91.03953	1.6
95.04975	6.8
97.02900	14.9
97.06501	2.0
97.96810	1.5
97.99165	1.5
98.06034	2.2
98.09703	2.7
98.97591	100.0
99.04445	5.6
99.97896	1.8
100.07614	1.5
102.09180	4.3
102.96869	2.8
104.01261	1.4
106.25844	1.2
107.04942	1.5
109.02907	6.2
110.01253	1.8
110.06003	1.6
110.97576	13.8
112.06818	2.8
112.07612	48.2
112.99137	4.4
113.06009	18.6
113.07960	1.6
115.03965	1.4
116.03078	1.8
116.07118	9.1
116.98626	33.6
119.01815	5.9
119.03646	1.7
123.04409	2.6
124.99128	2.9
126.02579	1.6
126.09148	2.9
127.00700	1.6
127.03925	7.7
128.02345	2.1
128.07079	3.2
128.10722	2.5
128.98592	14.4
129.02187	2.4
130.06554	13.2
130.08655	26.0
131.00186	5.1
132.04471	2.4
133.01662	1.7
134.99655	6.6
137.05930	3.8
138.05516	1.7
140.00185	1.9
140.02313	1.8
140.98604	2.9
141.99434	1.4
143.00134	7.0
144.98151	1.6
145.01678	2.1
145.04938	1.9
146.04121	4.9
146.08095	1.6
146.99657	4.0
147.03235	5.8
147.04370	1.6
148.03838	2.3
148.09697	21.6
149.01239	3.0
149.02335	3.1
149.10049	1.7
152.04057	3.3
152.98578	1.8
155.00157	1.7
155.04665	44.8
155.54803	3.3
156.03380	5.0
157.01761	2.0
157.07634	22.0
158.06030	5.6
158.98439	2.5
158.99669	31.9
159.03268	2.1
159.09277	1.4
161.01237	4.0
161.02826	2.6
161.04630	8.5
161.54860	1.3
163.02762	2.3
164.05223	10.3
165.00742	1.6
165.04362	2.7
166.55511	1.7
170.05144	3.6
170.99683	7.3
172.09727	2.5
173.01225	1.7
174.05650	2.1
174.55304	1.8
175.04219	1.5
175.08647	3.3
176.05190	3.3
177.00725	24.9
181.04324	1.8
182.03407	3.4
182.05205	1.3
184.04967	3.1
185.07129	4.8
186.04404	5.6
187.02673	1.6
188.05205	1.3
189.00726	8.1
189.04329	4.2
189.55702	3.0
190.04907	4.0
190.10773	1.9
190.56549	1.8
191.03949	1.9
191.05708	4.1
193.03923	1.7
197.05783	2.5
197.07574	4.9
201.00742	6.3
203.05739	1.7
204.05391	2.5
204.12294	8.2
205.03850	1.8
206.06213	7.1
207.01842	2.8
207.05386	2.5
213.00629	1.5
213.05208	1.5
217.03928	1.5
218.08034	2.5
219.01750	19.9
220.02072	1.3
227.04614	2.3
227.06755	24.0
227.57161	1.5
231.05447	1.6
233.06831	5.9
236.07326	6.1
237.02859	16.6
238.03020	2.2
242.13922	2.5
246.13274	2.1
257.06894	1.9
260.10321	18.0
260.14871	20.6
266.07236	4.7
266.57385	1.9
267.07947	2.1
269.05515	1.6
273.02832	2.5
275.07733	1.9
278.09998	8.2
278.12466	7.1
278.15967	18.4
278.59756	1.4
279.03940	1.8
291.07489	10.8
296.08865	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	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.61018	1.2
53.03945	6.1
55.01875	1.7
55.05515	17.0
57.07065	3.0
59.27995	1.1
65.03931	1.4
65.41645	1.1
67.05509	34.7
69.07066	15.0
69.51590	6.4
69.51994	2.0
71.04992	3.3
77.03934	1.9
79.05498	81.1
79.13133	1.3
81.07063	37.9
83.04943	1.5
83.08643	7.8
85.06553	1.5
91.05485	31.0
93.07051	100.0
95.04973	5.4
95.08614	23.2
97.06534	1.5
97.10165	4.7
99.03428	1.3
105.04505	3.2
105.06392	1.4
105.07049	15.6
107.08601	49.1
109.06534	1.4
109.10165	12.3
117.07065	2.8
119.08577	9.6
121.10149	45.7
123.11700	4.6
129.07043	1.4
131.08588	4.6
133.10135	10.0
135.08031	1.9
135.10672	2.6
135.11707	47.3
143.08607	1.5
145.10162	3.4
147.08102	1.2
147.11729	6.8
149.09613	1.9
149.13260	23.6
159.11685	2.7
161.13222	4.7
163.11172	2.4
163.14847	7.2
165.83188	1.4
171.11684	3.0
173.13210	2.8
175.14848	2.2
181.12291	1.5
185.13310	2.3
191.66881	1.3
199.14862	1.7
207.13858	2.2
213.16423	1.6
220.07445	1.3
221.15398	3.3
235.16966	5.5
241.19530	1.8
259.20676	4.5
277.21655	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.25426	0.4
53.03939	1.9
53.18040	0.4
55.01889	2.3
55.05264	0.6
55.05515	9.8
57.07080	44.9
65.03943	0.7
67.05508	14.6
69.03417	1.0
69.07071	9.3
69.39095	4.4
71.04993	0.9
77.03912	0.5
79.05500	25.0
81.03416	0.8
81.07066	17.3
83.04963	1.8
83.08623	6.3
85.06520	1.0
91.04955	1.0
91.05488	11.1
93.07054	33.5
95.04979	3.3
95.08046	0.9
95.08617	14.0
97.06544	3.3
97.10163	1.7
99.08094	1.0
105.07036	7.9
107.05017	0.5
107.08604	18.9
109.06520	1.7
109.10157	5.8
111.01219	0.5
111.08077	1.4
117.07021	1.4
119.08587	6.3
120.36121	0.5
121.06499	0.5
121.10151	16.7
123.04451	2.6
123.08078	1.3
123.11711	2.0
125.09611	1.0
129.07004	0.8
131.08556	2.4
133.10124	5.5
135.08145	0.9
135.10683	1.0
135.11708	15.7
137.09601	1.0
137.13239	0.5
139.11200	0.6
145.10143	2.5
147.04411	0.8
147.11681	5.3
149.09563	0.9
149.13260	7.5
151.11208	1.3
157.10182	0.6
159.11714	1.7
161.09608	1.0
161.13268	2.1
163.07552	1.4
163.14824	2.2
165.12784	1.8
171.11708	0.9
173.13252	1.4
175.14844	1.7
177.12759	2.0
179.10689	27.6
185.13330	1.4
189.12822	0.9
207.13747	1.3
209.15436	0.6
217.15880	1.3
219.13840	4.4
221.15405	1.3
235.16945	100.0
236.17285	1.3
241.19524	1.7
249.22298	1.0
259.20584	2.7
269.76962	0.5
277.18005	66.9
277.21613	33.9
278.18448	1.3
278.21918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02368	2.0
53.03956	3.5
53.88037	1.8
55.05521	18.1
57.03426	8.1
57.07081	2.0
67.05167	2.7
67.05507	40.8
69.06760	2.2
69.07072	19.9
70.92171	3.7
71.04982	2.0
79.05499	66.9
81.07060	46.2
83.04958	3.1
83.08618	10.0
85.06536	3.1
91.05488	31.6
93.07050	90.3
95.04970	5.6
95.08617	33.6
97.06483	4.0
97.10175	4.4
105.07044	16.4
107.08598	48.1
109.06490	3.2
109.10165	13.5
117.07009	5.4
119.08605	14.2
121.09301	3.5
121.10151	53.5
123.08064	3.0
123.11700	4.5
131.08562	9.5
133.10155	15.4
135.11702	47.6
137.09599	2.4
142.64847	1.9
143.08589	2.2
145.10130	4.2
147.11708	10.4
149.13260	22.6
159.11717	5.0
161.13269	4.5
163.14819	5.9
167.10623	2.7
171.11655	3.7
173.13231	4.0
175.14902	3.7
181.12288	2.5
185.13277	3.1
187.14836	8.2
195.13791	4.5
199.14835	2.8
205.15944	5.5
213.16537	2.7
221.15430	3.3
235.16949	5.6
241.19470	2.8
259.20639	8.1
277.21646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.15809	1.4
52.52602	1.1
53.03946	6.7
55.01868	4.5
55.05514	20.2
56.96576	6.4
57.03436	2.9
57.07071	4.4
67.05508	43.5
69.03436	1.3
69.06720	1.7
69.07072	21.1
70.80949	1.1
70.91969	3.0
71.04988	4.4
79.05499	56.0
79.05962	2.9
81.03408	1.7
81.07059	51.0
83.04977	3.2
83.08618	11.6
85.06550	3.5
91.05489	26.2
93.07050	81.2
95.04975	7.4
95.08613	39.5
97.06532	5.6
97.10155	3.2
99.08063	2.1
100.98132	1.2
105.04531	1.3
105.07035	22.4
107.04957	1.5
107.08604	45.5
109.00500	1.3
109.06519	4.8
109.10161	17.0
111.08078	3.7
114.62281	1.2
117.07018	5.0
119.08600	15.7
120.08896	1.5
121.06527	3.3
121.10150	44.6
123.08092	3.6
123.11709	4.8
125.09615	2.4
129.06992	1.9
131.08588	6.9
133.10133	18.5
135.08075	2.0
135.11702	44.9
137.09637	5.1
143.08524	2.9
145.10118	6.9
147.08060	1.2
147.11720	10.3
149.02380	2.9
149.09627	3.2
149.12143	2.2
149.13274	23.2
151.04094	1.3
151.11220	4.2
157.10153	4.5
159.11691	5.1
161.09698	2.4
161.13252	6.6
163.11247	2.7
163.14909	6.5
165.12798	2.4
167.10703	1.3
171.11662	4.0
173.13287	4.7
175.14853	3.3
177.12811	2.0
179.10733	1.5
181.12195	2.7
185.13284	3.3
189.12845	2.0
191.14285	1.4
193.15874	1.6
195.13823	2.6
207.13831	1.5
221.15402	2.6
231.21095	1.7
235.17006	7.4
241.19496	4.8
259.20563	9.5
277.17917	16.4
277.21637	100.0
277.28027	2.7
278.22015	2.1
295.15927	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	277.2164
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
52.84697	1.2
53.03946	6.2
55.01861	2.7
55.05513	20.8
57.03187	1.8
57.03442	29.8
57.07072	4.0
59.05009	1.8
65.03947	1.6
67.05170	2.6
67.05512	48.1
69.07080	19.0
69.42854	4.1
69.43279	7.3
71.04991	3.1
71.08629	2.7
72.19052	1.6
72.50057	1.4
74.72689	1.5
77.03914	1.9
79.05500	70.8
81.07063	58.1
83.04971	4.2
83.08622	11.3
85.06549	7.4
88.87708	1.3
91.05488	39.1
93.07053	100.0
95.05004	7.1
95.08617	55.7
97.06540	5.4
97.10182	5.4
99.08130	7.2
99.11758	1.5
99.35921	1.7
101.06011	1.9
105.04546	2.7
105.07035	28.6
107.04971	2.4
107.08604	55.6
109.06507	6.0
109.10162	19.5
111.08090	5.8
113.09621	3.2
115.05425	1.8
117.07044	10.1
119.08588	25.9
121.06528	1.6
121.10157	57.7
121.50497	1.5
123.08067	8.7
123.11701	5.6
125.09612	3.2
127.07507	2.2
129.07025	2.7
131.08577	15.4
132.21552	1.4
133.10158	19.0
135.08101	1.4
135.11710	45.7
137.09613	6.0
137.13304	1.7
141.09012	2.6
143.08632	2.7
145.10147	15.1
147.08049	1.5
147.11702	14.3
149.09639	3.8
149.13271	18.9
149.70842	1.7
151.11191	8.0
153.09045	1.8
157.10127	3.2
159.11717	9.8
161.09602	1.6
161.13271	7.3
163.11136	2.2
163.14838	3.7
165.12740	2.7
171.11703	4.4
173.13274	4.2
175.14812	4.2
177.12782	3.5
179.14365	3.1
181.12224	2.6
185.13243	4.1
187.14815	26.1
193.15881	1.7
195.13817	2.3
199.14856	3.2
201.16338	2.0
203.18037	3.6
205.15871	13.9
221.15472	2.0
221.19118	4.8
235.16954	4.2
237.80734	1.7
241.19533	9.4
253.10120	1.5
259.20584	17.1
277.18396	4.1
277.21652	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	Stearidonate
Peak:m/z	Relative Intensity
52.88484	1.4
53.03956	7.1
55.01891	1.5
55.05514	17.3
57.07070	2.0
67.03174	1.4
67.05170	2.4
67.05510	36.4
69.06766	1.7
69.07078	16.1
70.00704	7.5
71.04999	2.9
77.02020	1.5
79.05500	80.4
81.07064	36.5
83.08610	6.5
85.06527	1.8
91.04955	2.7
91.05485	28.2
91.06014	2.4
93.07051	100.0
93.27991	1.9
95.04966	4.6
95.08614	21.1
97.06541	2.6
97.10188	3.4
105.04523	1.4
105.07031	15.8
107.08602	53.3
109.06515	1.7
109.10172	15.1
117.06990	3.2
119.08602	10.4
121.10155	43.1
123.11720	2.7
131.08556	2.6
133.10135	10.5
135.11703	63.1
143.08575	1.4
145.10179	2.8
147.11681	7.3
149.13278	23.9
157.10017	2.0
159.11771	3.5
161.13242	3.9
163.11200	1.9
163.14830	7.4
171.11650	2.4
173.13348	3.2
177.12691	1.5
181.12178	1.8
185.13298	2.0
195.13849	3.3
207.13809	2.0
213.16425	2.0
221.15421	1.9
235.16931	5.3
259.20670	4.2
277.21652	56.8
288.17184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16555	0.2
51.60192	0.2
58.06596	0.7
60.08166	4.2
69.64480	0.2
69.64645	0.4
69.65058	1.1
90.75434	0.2
92.04505	0.2
95.87756	0.2
98.20744	0.4
98.97604	0.2
101.00873	0.4
104.10750	100.0
105.11086	0.5
119.01921	0.4
126.99905	0.2
143.01910	0.2
148.09682	0.3
157.03494	0.2
161.02942	0.4
174.11263	0.4
175.04591	0.3
180.65746	0.2
185.02992	0.3
200.74739	0.2
267.65201	0.2
277.08887	1.0
277.21286	0.3
282.96420	0.2
295.08786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
56.96575	1.8
58.06590	0.7
60.08168	3.9
61.60905	0.3
67.45573	0.3
67.92010	0.3
69.03443	0.5
69.07077	0.7
69.83234	0.7
69.83638	0.9
70.06586	0.5
70.98121	0.3
73.00237	0.3
81.03417	0.7
82.99828	0.4
83.04984	0.3
84.08150	1.0
85.02879	0.5
85.06545	1.1
98.97588	2.9
101.00900	2.0
104.10748	100.0
105.11073	0.4
109.02912	0.3
110.97591	0.9
112.07609	6.2
113.06004	0.5
115.02473	0.5
116.98618	0.6
119.01941	2.7
127.03975	0.4
130.08636	2.2
131.01889	0.3
137.02988	0.4
139.02435	0.3
142.01071	0.3
143.01897	0.8
145.01761	0.3
145.03445	0.6
148.09679	4.0
148.10750	0.4
157.03502	2.1
158.99681	0.6
159.01491	0.3
160.02193	0.3
161.02963	1.9
171.05075	0.4
174.11324	0.7
174.99176	0.3
175.04541	1.4
185.01337	0.4
185.03023	0.8
195.98158	0.3
199.04440	0.4
202.56213	0.2
203.04065	0.7
219.01761	0.6
235.04726	0.5
237.02838	0.4
259.16611	0.7
266.00696	0.3
277.03226	0.5
277.07892	3.2
277.17587	1.6
295.08884	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.5
55.05519	1.1
56.05038	2.2
56.96286	1.2
56.96569	22.0
57.03441	0.6
58.06599	1.5
67.05507	1.2
69.03427	1.8
69.07071	10.8
70.06592	6.7
70.98144	0.9
71.05012	2.6
71.56873	1.0
71.95260	1.0
81.03414	0.6
82.06601	1.2
83.04962	0.5
84.08147	16.1
84.96043	6.0
85.02944	0.6
85.06547	15.9
94.06563	1.2
95.04960	1.8
96.08141	1.3
97.02863	0.9
97.08516	1.0
98.97589	56.1
99.02734	0.6
100.97202	0.9
100.98044	0.6
101.00888	1.7
102.05567	0.9
102.09195	1.9
102.88000	0.6
102.96976	0.9
104.10747	1.9
110.97580	22.2
112.07610	100.0
112.99143	8.5
113.06013	8.5
115.00720	1.8
116.07072	0.8
116.98625	12.9
118.98205	0.6
119.01932	1.8
120.01161	0.6
124.99113	2.0
126.09126	1.3
126.97006	1.0
127.00747	0.8
128.07051	0.7
128.98615	13.6
130.08647	35.0
130.12256	0.6
131.00163	5.4
133.01727	4.0
134.99660	1.7
140.98561	3.0
143.00171	4.4
143.01900	1.0
144.98112	2.4
145.01759	0.8
146.99684	3.6
148.03802	0.7
148.09691	69.8
149.01237	1.6
151.02794	1.4
152.98605	3.8
157.01727	0.9
157.03505	1.1
158.11754	3.2
158.99672	10.3
159.01131	0.8
161.01279	3.1
161.02974	2.4
163.02733	0.7
166.08659	0.8
170.99644	3.6
173.01344	1.4
174.11264	0.7
175.02805	3.3
175.04321	1.0
176.08173	1.6
177.00729	5.8
177.04240	1.1
179.02280	1.0
183.04094	0.9
184.09695	1.6
185.03020	0.8
188.12878	1.4
189.00742	1.6
191.02267	0.9
193.03836	2.3
196.56386	0.7
201.00642	4.4
203.02359	1.0
204.12434	0.8
205.03835	0.9
205.05540	0.7
206.71735	0.6
217.03741	2.7
219.01776	26.3
222.55197	0.8
229.03828	1.2
232.11781	1.6
235.01357	0.6
235.04829	2.8
237.02824	27.8
238.03117	0.7
241.15427	0.7
242.00842	0.6
242.13908	1.1
253.05913	1.0
255.03870	0.8
259.16541	11.3
259.19095	0.9
260.14893	6.0
276.97546	1.1
277.05685	10.3
277.17587	23.5
294.98593	0.9
295.06873	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	277.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
56.05040	0.3
56.96575	1.2
58.06585	1.0
60.08168	4.6
64.07491	0.3
67.05522	0.2
69.03421	0.5
69.07073	2.3
70.06597	1.0
71.04978	0.5
71.56783	0.4
81.03429	0.5
83.04980	0.2
84.08151	3.2
85.06549	2.9
94.06606	0.3
94.66766	0.2
95.04967	0.3
98.97587	1.3
101.00893	2.5
104.10752	100.0
105.11082	0.4
109.02866	0.3
110.52950	0.2
110.97597	0.3
112.07614	19.1
112.99147	0.3
113.00854	0.3
113.06005	1.5
115.02447	0.3
118.01144	0.2
119.01926	3.0
128.98668	0.3
130.08650	6.5
131.01877	0.3
133.03523	0.6
139.02473	0.3
143.01920	1.2
145.03499	0.7
146.98433	0.2
148.09698	13.1
157.03503	2.2
158.11728	0.6
158.99625	0.4
159.01418	0.3
161.02979	2.1
175.04556	1.1
183.05069	0.3
184.09808	0.3
185.03023	1.0
187.04474	0.4
199.04495	0.3
201.06158	0.3
203.04086	0.8
217.05626	0.4
219.01779	0.5
231.35658	0.2
232.11874	0.4
235.04961	0.3
237.02873	0.4
241.15474	0.3
259.16559	2.1
260.14920	1.6
276.24167	0.2
277.03351	0.3
277.07574	3.4
277.11484	0.2
277.14481	0.3
277.17566	5.3
295.08878	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	277.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.8
56.05030	1.8
56.96570	23.2
67.05504	1.7
69.03427	4.0
69.07076	9.7
70.06596	6.6
70.92226	2.8
70.98109	2.8
71.04986	1.5
84.08153	18.4
84.96043	6.8
85.02892	2.2
85.06551	18.4
87.08090	1.5
94.06568	2.1
95.04971	2.8
96.08122	1.6
97.02882	2.1
98.97592	58.9
101.00922	1.6
104.10744	3.7
110.97582	27.5
112.07616	100.0
112.99140	8.7
113.06017	8.4
115.00700	1.8
116.98622	11.5
119.01910	1.6
124.99113	2.3
128.98624	14.1
130.08652	32.6
131.00182	5.4
132.32811	1.1
133.01695	4.0
134.99623	2.0
140.98628	3.5
143.00139	4.4
144.98125	2.6
146.99646	4.7
148.09695	67.9
149.01219	2.1
151.02974	1.0
152.98607	3.9
157.01631	1.0
157.03505	2.6
158.11760	4.8
158.99652	8.8
161.01210	2.5
161.02994	2.5
170.99690	5.4
173.01370	1.2
175.02736	3.5
175.04294	1.3
176.08205	2.6
177.00731	5.3
183.04164	1.7
184.09781	1.8
189.00702	3.7
191.02295	1.3
192.04561	1.2
201.00711	5.0
203.02185	1.4
217.03876	3.3
219.01784	26.3
229.03693	1.2
232.11714	2.2
235.04878	2.1
237.02843	26.5
242.13774	1.3
253.06204	1.4
259.16550	11.5
260.14926	7.1
276.97632	2.1
277.05637	11.2
277.14532	1.3
277.17572	25.2
295.06833	20.4
295.11935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.196
Annotation	Lycoflexine
Peak:m/z	Relative Intensity
51.71887	0.8
52.85203	0.8
54.16246	0.8
55.05509	1.3
58.02937	0.9
58.71966	0.9
60.04538	0.9
67.05501	2.0
69.07046	2.2
71.56500	1.1
72.04490	1.3
79.05494	1.6
81.07056	3.7
83.08646	1.3
91.05470	2.9
93.07038	3.6
95.04959	0.8
95.08597	3.2
105.07029	9.5
106.06525	1.3
107.08575	3.3
109.10151	3.0
117.07008	1.8
118.75911	0.8
119.08591	5.8
120.08118	1.2
121.10089	2.7
123.11707	1.3
126.05486	1.4
129.07031	1.9
130.06511	1.8
131.08543	6.3
132.08070	1.1
133.10123	3.3
135.11658	1.1
136.07561	1.0
142.07787	1.3
143.08554	2.9
144.08118	4.3
144.09131	1.1
145.09032	1.2
145.10121	10.3
146.09653	3.0
147.11697	9.5
148.07565	2.3
156.09294	1.7
157.08916	1.4
157.10097	5.5
158.09653	3.0
159.10445	1.5
159.11691	17.5
160.11163	1.9
161.13264	3.4
162.07628	0.9
162.09055	1.3
170.09595	1.0
171.11681	2.6
172.11258	0.8
173.13254	2.0
174.09143	2.1
174.12813	0.9
175.11165	1.5
175.14745	1.5
176.10696	2.6
183.11691	1.4
184.11215	1.2
185.13248	1.3
186.12761	2.7
187.14799	1.1
188.10695	4.6
188.14282	1.6
198.12785	4.9
199.13354	1.0
199.14990	1.0
200.14354	1.6
201.16391	6.8
203.17984	9.0
204.13869	2.6
205.10999	1.9
212.07870	1.4
216.13863	8.2
218.15602	1.2
219.17450	1.6
226.15851	1.7
228.17445	1.8
230.08885	1.2
230.15385	3.7
230.19215	1.8
232.16985	0.9
234.14954	7.6
240.17464	1.4
244.16861	1.7
246.08286	0.8
246.18489	0.8
248.16489	39.4
248.20207	1.7
258.08414	3.0
258.18515	6.3
259.16910	1.0
259.19211	4.5
276.19583	100.0
277.19876	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03950	3.6
55.05520	11.8
55.14402	2.1
56.96565	3.5
57.07071	5.9
67.05515	19.2
69.07073	21.2
69.60915	3.5
69.61327	10.1
70.06590	4.1
71.04971	3.2
76.45770	2.0
79.05489	20.4
81.07063	47.8
83.04993	3.9
83.08615	8.8
87.90458	1.9
88.07626	3.8
91.05484	25.6
93.07056	42.9
95.04963	3.7
95.08611	47.5
97.06581	2.5
99.04456	8.0
105.07041	45.2
107.04978	6.0
107.08591	26.2
109.06525	3.8
109.10165	20.7
111.08070	2.8
117.07041	8.4
119.08588	32.2
120.75233	1.7
121.06439	3.4
121.09401	2.6
121.10178	19.7
123.08113	3.5
123.11748	9.7
125.06026	6.8
131.08597	23.6
133.10129	22.4
135.08044	4.4
135.11719	11.9
137.05980	10.8
137.13251	7.7
139.07538	5.0
143.08548	4.1
144.09296	2.4
145.10117	27.1
147.08002	3.8
147.11691	21.6
149.09602	2.9
149.13254	7.7
151.03923	2.3
151.14853	7.0
155.08517	2.4
157.10144	7.3
159.08061	2.7
159.11688	24.8
161.09669	2.6
161.13271	8.0
163.11209	2.3
173.09686	3.4
173.13284	31.4
175.14896	2.6
177.05547	2.1
179.10680	3.4
183.11711	2.3
187.11211	2.4
187.14850	10.0
189.16385	3.0
191.10588	3.1
193.12279	4.1
197.13342	4.4
199.14943	2.4
201.12746	6.7
201.16414	2.4
203.03398	2.2
205.12270	6.7
211.07542	6.6
217.04961	3.1
219.13777	19.8
227.07072	5.7
229.08627	6.9
229.19540	70.1
230.05969	2.4
239.07068	3.2
239.18027	7.5
245.08118	29.1
257.08069	13.2
257.19043	23.0
275.08701	14.2
275.16837	3.8
275.20099	100.0
275.27756	31.4
276.20087	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.36215	1.1
53.03947	2.0
53.25880	1.2
54.45347	1.2
55.01872	3.4
55.05516	14.3
65.03934	1.7
67.05180	1.1
67.05512	19.9
69.07074	12.1
69.20008	1.0
70.07516	5.3
70.07894	1.2
70.14088	1.0
71.05010	2.1
75.86127	1.0
79.05497	20.4
81.06579	1.5
81.07063	26.4
83.04991	2.8
83.08635	6.5
91.05493	39.0
93.07050	22.3
95.04971	4.1
95.08611	14.8
97.06522	4.6
97.10168	3.1
105.07041	58.8
107.04943	3.7
107.08600	15.1
109.06522	6.2
109.10174	8.8
111.08073	2.2
115.05487	1.1
117.07030	11.5
119.08599	34.5
119.09454	1.9
121.06528	3.3
121.10153	10.0
123.08090	2.4
123.11740	3.5
129.07016	3.5
131.08580	14.5
131.64372	1.1
133.10143	40.2
135.08063	3.9
135.11688	4.8
136.36958	1.3
137.09634	3.7
143.08574	1.8
145.10146	13.0
147.11684	18.4
149.09637	6.0
149.13290	3.2
151.11188	3.9
155.08606	2.3
157.10165	3.7
159.11745	9.5
161.09619	1.5
161.13235	5.6
163.11241	5.7
165.12775	2.2
169.10164	2.8
171.11763	3.0
173.13249	4.9
175.11171	2.9
175.14760	1.8
177.12741	2.6
179.14256	1.3
183.11728	2.3
187.11168	1.6
191.14369	1.6
197.13411	2.3
201.12842	1.5
210.91541	1.1
211.07521	1.6
215.17941	1.4
229.08472	1.4
229.19514	6.1
239.17953	6.4
247.20720	1.3
257.08212	2.4
257.19064	14.2
275.20090	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03944	1.5
54.20530	1.0
55.01865	3.0
55.05512	14.2
56.96558	1.7
57.03441	1.4
59.28206	1.1
59.58758	1.1
65.03948	1.8
67.05169	1.4
67.05508	18.4
69.07065	10.7
69.32142	8.0
69.32557	2.6
71.04980	1.6
76.26779	1.2
79.05064	1.3
79.05494	18.1
81.07065	18.0
83.04950	2.3
83.08620	3.6
91.05482	40.8
93.07045	19.6
95.04967	3.9
95.08609	11.6
97.06532	2.7
97.10170	2.1
98.20679	2.2
103.05447	2.4
105.07037	56.9
107.04965	2.3
107.08596	13.0
109.06499	1.8
109.10155	4.2
111.08059	1.4
117.07019	10.4
119.08585	35.3
121.06493	1.7
121.10154	6.6
123.08012	1.6
123.11698	1.9
129.07016	1.5
131.08566	16.2
133.06485	1.5
133.10146	33.1
135.08052	3.5
135.11685	4.0
137.09537	1.5
141.06929	1.3
143.08549	3.3
145.10126	13.3
147.11691	21.9
149.09630	4.0
157.10175	3.7
159.11693	8.0
161.13295	6.2
163.11127	2.4
169.10190	1.7
171.11650	2.6
173.13269	3.6
175.03828	1.4
183.11688	1.2
184.05344	1.3
197.13202	2.6
215.17917	1.6
217.08582	1.1
222.05530	1.1
227.07040	4.6
229.05081	1.2
229.08569	2.0
229.19485	2.9
230.05681	2.8
233.15526	1.3
237.06049	3.0
239.18080	2.3
245.08105	40.2
247.20561	2.9
257.18954	9.0
275.08929	1.7
275.16428	5.2
275.20074	100.0
276.20450	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03940	3.4
55.01871	6.1
55.05261	1.7
55.05514	23.9
56.63530	1.0
57.03426	2.1
57.07077	1.6
61.06513	0.9
64.15762	0.9
67.05176	1.4
67.05510	27.4
69.03422	1.2
69.07069	13.3
71.05001	1.4
71.57992	1.1
79.05501	34.5
81.03431	1.4
81.07060	25.2
83.04975	4.1
83.08614	6.1
85.06543	1.8
87.39731	0.9
91.05486	39.3
93.07056	28.2
95.04958	4.2
95.08617	14.3
97.06532	6.6
97.07697	1.0
97.10161	3.7
99.08105	1.2
103.05469	1.8
105.07038	60.4
106.88802	1.2
107.04956	22.0
107.08601	26.2
109.06532	3.7
109.10155	13.8
111.08113	5.4
113.89075	1.1
115.05472	1.7
117.07023	15.0
119.04946	1.1
119.08586	34.8
121.06531	2.3
121.10156	10.5
123.08061	3.1
123.11692	4.5
125.09646	4.6
129.07011	2.1
131.08574	15.6
133.06548	1.3
133.10136	36.0
135.08046	5.2
135.11707	4.9
137.09599	3.0
143.08572	4.6
145.10139	17.5
147.11702	21.2
149.09627	31.6
149.13272	2.6
154.33650	1.0
155.08540	2.4
157.10156	2.8
159.08014	1.5
159.11694	12.9
161.13301	6.7
163.11189	3.6
165.12794	1.4
171.11688	3.3
171.33379	1.0
173.09615	1.8
173.11761	3.4
173.13243	5.8
175.11200	1.4
175.14803	1.6
177.05489	1.2
183.11749	2.0
185.13248	1.1
187.11176	2.3
187.13281	1.3
187.14812	1.3
197.13257	2.8
201.12936	1.0
201.16376	1.6
203.03386	1.6
211.07555	3.6
215.17941	2.4
219.13857	1.6
219.17465	2.8
227.07036	3.8
229.05133	1.1
229.08553	7.5
229.15930	1.2
229.19542	6.6
230.05884	1.3
233.15364	1.9
233.18855	1.0
239.07042	1.8
239.17993	4.0
245.08096	27.4
247.20555	2.4
257.08118	15.8
257.19058	16.4
275.09009	9.9
275.20078	100.0
275.27640	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	275.2009
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.01274	0.9
53.03944	1.2
55.01859	2.0
55.05516	10.7
56.32565	1.0
57.03427	4.3
57.07074	1.1
61.94966	1.1
67.05170	1.3
67.05511	18.1
69.06737	1.2
69.07071	9.3
70.05450	2.2
70.05840	2.6
71.05012	5.4
79.05495	17.3
81.07067	22.9
83.04989	2.7
83.08609	4.8
85.06535	2.4
91.05487	33.6
93.07055	18.2
95.04981	4.0
95.08115	1.4
95.08620	12.9
97.06522	3.2
97.10180	1.5
98.21400	1.5
100.55240	1.1
103.05450	1.6
105.07040	46.2
107.04958	6.8
107.07934	1.5
107.08605	12.0
109.06548	7.0
109.10179	7.8
111.08053	2.6
113.71027	1.1
115.05446	1.3
117.07040	9.7
119.08593	32.6
121.06523	2.6
121.10141	7.3
123.08097	3.4
123.11680	2.9
129.07007	3.5
130.07799	1.5
131.08582	13.6
132.09351	1.2
133.06438	1.0
133.10144	31.4
135.08055	7.2
135.11751	5.4
137.09613	3.3
141.07101	1.2
143.08528	4.6
145.10144	12.8
147.11702	19.6
149.09659	5.6
149.13274	2.1
151.11156	1.7
155.08499	1.2
157.10103	6.2
159.11707	9.3
161.09634	1.4
161.13269	5.0
163.11221	4.1
165.12813	1.7
169.10121	2.7
171.11668	4.1
173.13255	8.8
175.11179	3.6
175.14807	2.4
177.12698	2.1
183.11682	1.7
185.13278	3.5
187.11191	1.4
187.14890	2.2
189.12759	1.9
191.14311	2.5
193.12202	1.6
197.13242	3.6
199.14833	1.7
203.14301	2.9
219.17468	2.0
229.19479	1.9
239.17941	6.0
247.20726	2.1
249.08150	1.1
257.19016	11.6
275.20087	100.0
275.27792	3.7
276.20352	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.6
55.01859	2.9
55.05265	0.8
55.05514	15.6
56.96563	3.0
57.03432	1.0
57.07065	2.1
65.03926	0.7
67.05172	1.0
67.05510	18.1
69.07072	8.9
69.55567	0.7
70.06583	2.4
70.28440	2.2
70.28785	1.0
70.98125	0.9
71.04980	1.8
71.08640	0.8
78.53637	0.6
79.05054	1.3
79.05494	16.4
81.07059	19.2
83.04964	2.2
83.08601	4.4
85.06560	0.7
88.07624	3.6
89.07997	0.7
89.22348	0.8
91.05486	42.0
93.07046	14.8
95.04967	2.5
95.08044	1.0
95.08617	13.3
97.06541	1.7
97.10175	2.0
99.08077	1.0
103.05460	1.8
105.07037	65.5
106.08665	1.5
107.04945	2.9
107.08589	13.3
109.06509	1.8
109.10140	4.9
111.04431	1.0
111.08086	1.1
111.99958	2.6
113.05978	0.9
117.07018	11.2
118.07777	0.9
119.08587	33.0
121.00466	2.3
121.06480	3.2
121.10150	5.5
123.08112	1.8
123.11692	0.9
125.09634	1.3
129.07021	3.4
131.08578	13.1
133.10136	44.4
135.08037	2.4
135.11685	2.6
137.09622	1.5
141.06927	1.4
142.07739	1.2
143.01781	1.2
143.08562	2.4
145.09027	1.2
145.10129	16.2
147.08099	0.9
147.11694	25.7
149.09631	5.2
155.08488	0.7
157.10056	3.6
159.11707	10.2
161.09621	1.4
161.13216	5.8
163.07639	0.8
163.11154	2.4
167.99696	2.1
169.10178	1.6
171.11693	3.2
173.13297	5.1
175.11200	1.1
175.14754	0.9
177.00224	2.7
177.12787	1.5
183.11681	2.6
184.04590	1.5
185.13295	1.2
187.11177	1.2
193.05107	1.5
197.13210	2.0
198.04366	1.6
201.12737	1.2
207.04944	1.3
208.02115	1.4
214.05666	3.3
215.14496	0.9
215.17938	1.0
217.02699	2.6
223.06294	1.8
229.15942	1.2
229.19516	1.8
236.05165	0.9
239.17963	3.4
243.06018	2.9
252.06499	2.6
257.08002	0.9
257.19031	9.5
257.26538	1.3
261.05362	1.0
275.20081	100.0
275.27768	26.0
276.20523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03925	3.5
55.05504	12.4
57.07057	8.3
63.58036	2.7
67.05506	20.1
69.07073	18.2
70.21394	11.0
73.02905	2.6
79.05482	13.1
81.07058	32.9
83.08608	11.4
91.05510	13.1
93.07042	39.7
95.04942	3.4
95.08607	100.0
97.10166	2.8
100.57752	2.7
105.07031	57.5
107.08615	20.8
109.10151	21.6
110.21133	3.1
114.81956	3.0
117.06995	6.2
119.08585	26.5
121.06529	2.9
121.10149	16.6
123.11691	9.9
125.05962	8.7
131.08571	34.9
133.10104	17.1
135.11684	11.4
137.05952	10.3
137.13263	10.7
139.07558	7.0
143.58759	3.5
145.06441	4.7
145.10127	27.2
147.11711	26.0
149.05974	12.2
149.13260	5.8
157.10146	16.4
159.08105	4.0
159.11684	25.1
161.13310	6.2
161.96257	2.6
163.07541	5.7
171.11649	5.0
173.09685	3.4
173.13275	59.0
175.14758	4.2
183.11577	4.5
187.14809	11.0
191.14230	3.4
197.13222	3.0
201.12738	37.7
203.17984	4.3
205.12227	5.1
205.66766	2.7
219.13803	75.4
227.16510	3.1
229.19531	69.3
233.15306	4.3
245.08102	5.0
257.18997	25.8
275.20068	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	275.2009
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03954	1.8
55.01851	1.4
55.05512	9.1
57.07060	5.6
57.71450	1.4
65.03951	1.6
67.05212	1.6
67.05508	16.4
69.07081	20.8
79.05502	15.0
81.07063	45.6
83.08644	9.7
91.05490	17.1
93.07053	35.9
95.04982	2.3
95.08611	61.6
97.06522	4.2
97.10119	1.9
98.21484	4.2
105.04517	1.7
105.07040	38.2
107.04948	2.2
107.08603	28.6
109.10161	25.1
111.08088	2.4
117.07062	6.8
119.08595	33.9
119.56096	1.5
121.06450	1.8
121.10158	24.1
123.08101	2.0
123.11700	12.4
125.06021	7.7
125.25206	1.3
129.07076	1.8
131.08578	32.0
133.10149	25.1
135.08076	2.1
135.11707	16.4
137.05981	9.8
137.13196	11.1
139.07516	3.7
143.08542	1.9
144.09409	2.0
145.10133	27.5
145.60867	1.6
147.08012	2.3
147.11673	20.4
149.05962	5.1
149.13263	8.6
151.07516	2.9
151.11145	1.4
151.14812	7.1
155.08461	1.5
157.10126	5.1
159.08063	1.8
159.11705	24.7
161.13287	8.6
163.07523	4.2
163.11186	1.5
165.09035	3.5
169.10088	2.4
171.11708	2.3
173.13281	45.8
175.14859	5.5
177.09157	5.2
179.10745	2.5
183.11644	2.2
187.11270	2.0
187.14856	15.1
189.16467	4.1
191.10658	4.6
193.12302	3.8
197.13283	3.1
201.12752	8.9
201.16603	2.9
203.17903	1.7
205.12204	7.9
207.13986	1.6
219.13795	25.7
227.06934	2.4
229.19527	100.0
230.19696	1.8
239.17999	6.1
245.08060	10.6
247.20596	5.5
257.08087	5.2
257.19000	38.7
259.57382	1.7
275.08850	2.6
275.20087	89.8
275.27747	3.4
276.20490	2.0
292.93927	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02345	0.9
55.01870	2.3
55.05514	14.3
56.96553	1.2
57.03428	1.0
57.07076	3.6
58.07397	1.4
62.86058	0.9
67.05508	15.4
69.07070	8.6
69.63759	6.2
70.06587	4.5
71.04977	1.3
71.08619	2.0
79.05497	19.1
81.07060	18.8
83.04984	2.4
83.08624	6.6
88.07626	6.6
89.07999	1.7
91.05483	36.6
93.07054	16.1
95.04974	3.3
95.08614	10.5
97.06526	1.9
97.10179	1.9
99.74281	1.0
102.09189	2.8
103.05484	1.8
103.09573	1.3
105.07037	57.4
106.08678	2.8
107.04947	2.3
107.08585	12.5
109.06509	1.7
109.10174	5.2
111.08085	1.3
117.07024	9.0
119.08580	29.5
121.06487	3.4
121.10130	5.3
123.08107	1.1
123.11684	1.4
125.09579	1.8
129.06995	2.2
131.08585	13.9
133.06587	1.1
133.10135	32.7
135.08063	2.5
135.11690	4.3
137.09602	1.4
142.07809	1.3
143.08549	2.0
145.10121	14.5
147.08125	1.1
147.11700	24.2
149.09668	6.1
155.08543	1.7
157.10133	3.7
159.11716	8.2
161.09587	1.8
161.13283	4.8
163.11174	3.1
171.11728	1.9
173.13335	3.0
175.11180	1.2
183.11646	3.0
185.13293	2.0
187.11197	1.4
197.13275	1.8
198.14128	1.0
215.18042	1.1
229.19585	2.1
233.15294	1.3
239.17894	3.2
245.08162	1.2
247.20520	1.2
257.19006	7.7
257.26758	2.7
275.20081	100.0
275.27774	54.3
276.20297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.52124	1.5
53.03934	1.8
55.05511	13.5
57.07063	6.1
62.76884	1.3
62.86754	1.6
67.05504	18.0
69.07072	16.1
69.41050	9.0
69.41463	3.1
73.51064	1.4
77.03949	1.4
79.05501	16.5
81.07061	34.6
83.08614	11.9
91.05489	24.4
93.07050	57.2
95.04972	2.0
95.08611	47.1
97.06540	2.9
97.10171	4.2
98.20770	3.3
103.05466	2.0
105.07045	37.5
107.04955	2.1
107.08598	38.0
109.06513	1.5
109.10178	23.4
111.08057	5.8
117.07034	8.0
119.08590	31.2
121.06480	2.2
121.10147	24.2
123.08086	2.2
123.11713	12.5
125.06028	8.6
128.06284	2.2
129.07082	1.6
131.04912	2.0
131.08578	20.7
133.10149	21.5
135.04478	2.4
135.08025	2.0
135.11702	24.3
137.05981	10.1
137.13257	10.6
139.07558	16.4
141.07022	1.5
143.08516	2.7
145.06490	2.8
145.10135	23.7
147.08055	2.6
147.11699	18.4
149.05978	11.4
149.13293	3.3
151.07524	2.2
151.14777	2.0
153.09149	2.1
155.08549	3.0
158.10876	1.7
159.08057	2.7
159.11705	22.2
161.09744	2.1
161.13272	8.7
163.07504	7.9
163.11220	2.0
165.09200	1.9
167.10640	2.5
171.11714	2.4
173.13278	35.0
175.03941	3.8
175.14859	3.3
177.05511	2.9
177.09100	3.7
179.10568	1.6
183.11684	1.8
187.11169	2.5
187.14835	10.6
189.16391	2.3
191.10696	6.4
193.12306	2.2
201.05487	2.5
201.12779	4.2
203.03360	4.0
203.07079	4.0
205.04988	3.8
205.12267	6.5
211.07562	3.8
217.04990	2.1
219.13838	17.0
227.07053	15.6
229.05119	3.0
229.08629	9.1
229.19533	95.5
230.05756	4.7
231.21059	1.8
233.15427	2.5
239.18008	1.8
239.89862	1.6
241.37692	1.6
245.08110	100.0
246.08351	2.2
247.09648	2.8
247.20723	5.0
257.08109	14.6
257.19034	12.3
275.06213	2.3
275.09042	17.7
275.20090	90.5
275.27811	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03939	3.6
55.05518	16.0
57.03426	2.5
57.07084	11.6
57.76406	2.0
62.05764	1.9
67.05511	24.7
69.07066	21.8
69.50750	5.6
69.51151	12.8
71.04980	2.8
71.08626	2.7
79.05496	19.4
81.07061	55.1
83.04946	2.6
83.08629	24.7
88.07623	3.0
91.05476	36.5
93.07049	78.2
95.04948	4.8
95.08054	3.2
95.08616	45.2
97.06531	2.9
97.10162	4.0
98.21502	4.9
99.04475	2.4
105.04612	2.2
105.06379	4.2
105.07034	55.5
107.04950	3.9
107.08599	37.5
109.06566	3.1
109.10170	33.7
109.86552	2.4
111.08097	3.2
115.77120	2.7
117.07052	11.0
119.04923	3.2
119.07801	2.7
119.08591	41.5
121.06536	2.3
121.10159	23.7
123.04433	3.4
123.08057	2.6
123.11692	18.7
125.06013	3.9
128.06200	2.3
131.04892	3.5
131.08569	25.8
133.10124	32.6
135.04382	3.5
135.08047	7.6
135.11713	14.7
137.05984	17.4
137.09636	2.7
137.13322	11.1
139.07547	9.9
142.07805	2.4
143.08548	4.1
144.09433	2.4
145.10104	30.7
147.11696	22.2
149.05992	14.0
149.13252	7.7
151.03882	4.2
151.07593	5.0
153.09145	3.0
157.10127	7.4
159.08112	3.2
159.11708	28.8
161.09651	2.5
161.13266	9.5
163.07533	7.4
163.11192	2.9
165.09171	2.8
169.10062	3.1
171.11684	3.9
173.09616	3.5
173.13255	34.9
175.14784	8.2
177.05391	2.3
177.09126	4.3
183.11711	4.7
187.11250	3.2
187.14780	15.2
189.16342	4.6
191.10619	5.4
191.14258	3.7
197.13142	4.1
199.14905	3.7
201.12744	7.2
201.16348	3.8
205.12204	6.4
211.07478	5.3
215.14343	4.2
217.15891	4.1
219.13834	18.5
225.49908	2.6
227.06981	3.9
229.08620	6.0
229.19528	86.4
229.21806	4.8
231.20987	3.0
233.15439	4.7
239.17908	7.9
245.08099	35.0
247.20616	2.7
257.08148	9.0
257.19016	28.0
275.08966	6.1
275.11508	2.8
275.17499	3.6
275.20071	100.0
275.23151	5.0
275.27811	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	275.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46975	0.6
55.01858	1.3
55.05518	5.8
56.96571	4.9
57.07064	1.8
59.47223	0.7
65.03923	0.8
67.05215	0.7
67.05510	8.4
69.07076	7.0
71.04987	2.3
71.08601	0.9
71.58314	0.6
79.05502	7.9
81.03426	1.0
81.07065	12.8
83.04974	2.1
83.08643	3.3
85.06532	1.0
88.07603	0.6
91.04958	1.1
91.05488	14.9
93.07049	12.0
95.04977	2.1
95.08609	10.5
97.06537	1.1
97.10157	1.5
98.15047	0.7
98.97575	1.4
103.05451	1.0
105.06387	0.9
105.07044	16.3
107.04959	3.9
107.08599	9.4
109.06526	1.9
109.10178	5.9
111.04427	0.7
111.08064	1.4
117.07011	3.5
119.04909	0.6
119.08595	13.3
121.06499	2.3
121.10147	5.8
123.08049	1.3
123.11710	2.3
125.09686	1.2
129.06996	1.5
131.08578	5.7
133.06493	1.0
133.10139	13.1
135.08047	2.0
135.11691	5.2
137.05936	0.9
137.09660	1.2
141.05434	0.7
143.08548	1.8
145.10136	7.0
147.04396	0.7
147.08070	1.2
147.11702	8.3
149.09615	1.8
149.13240	3.8
151.03981	0.9
155.08516	1.7
157.10124	2.4
159.08037	2.2
159.11742	3.9
161.09598	1.6
161.13289	2.6
163.07625	0.7
163.11172	1.5
163.14862	1.3
167.03511	0.9
169.10156	1.3
171.11726	1.5
173.09622	1.3
173.13264	2.4
175.03929	1.4
175.11256	1.2
177.05489	1.2
177.09116	0.8
183.11737	1.3
187.07513	1.0
187.11111	0.8
189.12691	0.8
199.14856	1.5
201.09154	1.0
201.12764	1.2
201.16408	1.5
203.03423	1.3
203.06990	4.8
205.04979	1.6
211.07494	2.0
213.05470	1.2
215.03551	0.9
215.14423	1.0
215.17993	1.4
217.05013	0.9
217.15945	0.8
227.07059	1.6
227.53944	2.0
229.08768	3.5
229.19530	1.5
230.05914	0.9
239.04707	0.9
239.07083	0.8
239.17929	1.5
245.08072	9.8
247.13069	15.9
252.04561	0.9
257.08072	4.9
257.15228	4.2
257.18994	3.6
257.22711	0.8
275.09366	4.4
275.12964	7.6
275.16190	100.0
275.20020	30.4
275.27371	6.0
276.16599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05304	0.5
55.05507	5.5
56.96560	1.7
57.07081	3.2
67.05507	7.0
69.07069	8.7
71.04965	0.6
71.08617	1.5
71.56251	0.5
71.56607	0.7
79.05488	5.8
81.07057	15.2
83.04977	0.9
83.08622	3.9
85.06553	0.7
86.03377	0.5
91.05479	5.8
93.07047	11.1
95.04942	0.8
95.08609	14.0
97.06516	0.7
97.10157	1.6
98.97585	3.8
103.05432	0.6
105.07033	8.9
107.04947	1.4
107.08600	9.5
109.06509	0.7
109.10157	8.5
111.08092	0.6
116.98569	0.8
117.07024	1.8
117.27210	0.5
117.75535	0.5
119.07933	0.5
119.08592	5.8
121.06470	1.0
121.10159	6.3
123.04434	0.8
123.11735	3.6
128.06268	0.7
129.07056	0.7
131.08598	2.6
133.10138	3.8
135.08063	1.1
135.11674	5.3
137.05971	0.7
137.09596	0.9
137.13239	1.4
143.08536	1.3
145.10112	2.8
147.11720	4.1
149.09610	1.0
149.13264	7.7
151.14818	0.6
154.02226	0.5
155.02365	0.7
157.10138	1.5
158.99654	1.3
159.11710	2.2
161.09589	1.0
161.13206	1.1
163.11217	1.1
163.14850	3.9
165.16397	1.0
173.13274	1.5
177.16399	1.8
183.11688	0.9
199.14923	1.0
203.14323	0.7
205.19478	1.2
213.16267	0.5
215.18073	1.1
217.15965	0.6
219.21082	1.0
229.08578	0.8
229.15771	0.7
239.17970	1.1
241.64795	1.1
257.08182	1.0
257.18991	2.5
265.65723	1.9
266.15616	0.9
275.08981	2.1
275.16183	100.0
275.19971	13.0
275.27347	10.0
276.16437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	4.2
59.70588	0.6
69.42839	2.0
69.43256	3.2
70.98118	0.9
84.08102	0.9
85.02917	1.5
94.52177	0.6
98.97585	13.5
116.98634	4.8
128.98694	0.9
130.08681	0.9
134.99692	1.0
146.08185	0.8
172.94356	1.0
172.97581	1.3
215.02298	0.6
216.12347	1.1
232.99634	0.8
256.96454	1.6
274.97549	7.9
275.11011	100.0
292.98578	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94531	0.6
54.52691	0.6
55.01853	0.7
55.05504	2.9
56.14223	0.6
56.96558	1.2
57.03440	0.7
57.07064	0.7
61.86451	0.7
64.30545	0.8
67.05519	4.2
69.07062	3.0
71.08622	0.7
71.56402	1.0
79.05506	3.9
81.07059	6.8
82.86768	0.7
83.08609	1.4
87.89381	0.5
90.47401	0.6
91.05490	6.3
93.07034	6.1
95.08622	6.3
97.06542	1.0
105.07037	10.7
107.04946	1.0
107.08620	3.9
109.06525	1.2
109.10172	3.2
117.07055	1.9
117.49045	0.7
117.93279	0.7
119.08594	6.8
121.10142	3.0
123.08022	0.8
123.11746	0.8
125.09641	0.8
131.08566	2.1
132.17654	0.6
133.06528	0.8
133.10152	5.4
135.08040	1.0
135.11699	2.8
143.08539	1.0
145.10126	2.8
147.11732	4.8
149.09656	1.3
149.13249	2.1
155.08702	0.7
157.10114	1.1
159.11711	3.2
161.09612	0.7
161.13298	2.1
173.13319	0.9
176.18419	0.8
177.27936	0.8
187.14836	0.8
205.04993	0.7
217.15770	0.8
238.70836	0.7
239.18031	0.7
245.07965	0.7
252.59164	0.7
257.11771	0.8
257.19025	2.3
275.09372	3.0
275.16196	100.0
275.19992	16.4
275.27441	1.9
276.16470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0917
Annotation	Corymbiferan lactone D
Peak:m/z	Relative Intensity
55.05511	1.4
56.96330	0.3
56.96572	3.7
57.07065	0.8
65.03951	0.3
67.05509	1.8
69.07073	1.6
69.48246	1.2
70.97781	0.2
70.98129	2.2
71.08616	0.6
79.05501	1.6
81.07068	4.0
82.84045	0.2
83.08611	0.6
87.00836	0.3
88.99166	0.3
91.05492	1.8
93.07047	2.6
95.01338	0.2
95.08616	3.3
97.10172	0.7
98.20703	0.2
105.07053	1.7
106.00728	0.2
107.04950	0.2
107.08598	3.3
109.02894	0.2
109.06539	0.3
109.10166	2.2
110.03681	0.2
111.71665	0.2
112.24491	0.2
115.05486	0.4
117.06996	0.3
119.04922	0.5
119.08595	1.0
121.06484	0.3
121.10149	1.5
122.01784	0.2
123.11732	1.1
125.05992	0.6
127.03964	0.2
128.06239	1.2
129.07008	0.4
131.04924	0.3
131.08562	0.7
133.06499	0.3
133.10149	1.1
134.42824	0.2
135.04390	0.2
135.07994	0.2
135.11705	1.7
137.13258	0.5
141.05443	0.6
141.06960	0.5
143.08588	1.9
145.06487	0.5
145.10101	0.6
147.04387	0.7
147.11668	0.8
148.02806	0.3
149.02348	0.6
149.13274	2.1
153.06987	0.5
155.08600	0.4
158.07314	0.4
159.04448	0.3
159.08080	1.0
159.11736	0.2
161.02345	0.5
161.05998	0.4
161.09610	0.6
163.03903	0.4
163.14819	1.0
167.03482	0.3
169.06483	0.4
171.08017	1.2
173.05984	0.6
175.03909	3.7
177.05452	0.4
177.16399	0.5
179.17935	0.4
181.06464	0.4
182.07227	0.2
184.02795	0.3
184.05299	1.2
184.06653	0.2
185.06007	1.2
187.02307	0.2
187.03922	0.7
187.07573	0.5
189.02080	0.4
189.05571	0.5
189.09035	0.2
190.02803	0.4
191.03406	1.6
193.03300	0.3
195.03909	0.4
196.02942	0.4
196.53181	0.4
197.05890	0.2
197.13133	0.2
198.02592	0.5
198.04280	0.5
198.06888	0.3
199.03349	0.6
199.07555	1.1
201.05472	1.1
201.09125	0.2
203.03438	2.2
203.07048	3.4
205.03380	1.6
205.05057	0.3
205.51930	0.5
205.53653	0.4
206.04126	0.3
207.03143	0.4
207.04965	0.5
210.04439	0.3
211.07542	0.7
212.04535	0.4
213.02917	0.4
213.05115	2.2
214.03889	1.5
214.05969	0.3
215.03239	0.3
217.04991	0.3
217.08620	1.3
218.04068	0.3
219.03023	0.2
219.21094	0.3
220.03693	0.3
220.54195	0.2
221.54965	0.3
222.05452	3.4
222.55711	0.3
224.55803	0.2
227.07039	14.2
228.03583	0.5
228.05484	4.2
228.07593	0.2
228.55626	0.6
229.04968	2.8
229.08566	3.8
230.05765	5.5
231.05934	0.3
234.05441	0.4
237.05984	8.8
237.56152	0.8
239.56264	1.3
243.06017	2.0
245.08107	100.0
246.08571	1.0
248.56816	1.2
252.06531	0.9
254.56702	0.4
257.08145	0.9
257.18958	0.3
263.57379	0.3
275.09155	6.5
275.16193	0.9
275.20105	2.2
275.27319	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
56.96330	0.3
56.96572	3.7
57.07065	0.8
65.03951	0.3
67.05509	1.8
69.07073	1.6
69.48246	1.2
70.97781	0.2
70.98129	2.2
71.08616	0.6
79.05501	1.6
81.07068	4.0
82.84045	0.2
83.08611	0.6
87.00836	0.3
88.99166	0.3
91.05492	1.8
93.07047	2.6
95.01338	0.2
95.08616	3.3
97.10172	0.7
98.20703	0.2
105.07053	1.7
106.00728	0.2
107.04950	0.2
107.08598	3.3
109.02894	0.2
109.06539	0.3
109.10166	2.2
110.03681	0.2
111.71665	0.2
112.24491	0.2
115.05486	0.4
117.06996	0.3
119.04922	0.5
119.08595	1.0
121.06484	0.3
121.10149	1.5
122.01784	0.2
123.11732	1.1
125.05992	0.6
127.03964	0.2
128.06239	1.2
129.07008	0.4
131.04924	0.3
131.08562	0.7
133.06499	0.3
133.10149	1.1
134.42824	0.2
135.04390	0.2
135.07994	0.2
135.11705	1.7
137.13258	0.5
141.05443	0.6
141.06960	0.5
143.08588	1.9
145.06487	0.5
145.10101	0.6
147.04387	0.7
147.11668	0.8
148.02806	0.3
149.02348	0.6
149.13274	2.1
153.06987	0.5
155.08600	0.4
158.07314	0.4
159.04448	0.3
159.08080	1.0
159.11736	0.2
161.02345	0.5
161.05998	0.4
161.09610	0.6
163.03903	0.4
163.14819	1.0
167.03482	0.3
169.06483	0.4
171.08017	1.2
173.05984	0.6
175.03909	3.7
177.05452	0.4
177.16399	0.5
179.17935	0.4
181.06464	0.4
182.07227	0.2
184.02795	0.3
184.05299	1.2
184.06653	0.2
185.06007	1.2
187.02307	0.2
187.03922	0.7
187.07573	0.5
189.02080	0.4
189.05571	0.5
189.09035	0.2
190.02803	0.4
191.03406	1.6
193.03300	0.3
195.03909	0.4
196.02942	0.4
196.53181	0.4
197.05890	0.2
197.13133	0.2
198.02592	0.5
198.04280	0.5
198.06888	0.3
199.03349	0.6
199.07555	1.1
201.05472	1.1
201.09125	0.2
203.03438	2.2
203.07048	3.4
205.03380	1.6
205.05057	0.3
205.51930	0.5
205.53653	0.4
206.04126	0.3
207.03143	0.4
207.04965	0.5
210.04439	0.3
211.07542	0.7
212.04535	0.4
213.02917	0.4
213.05115	2.2
214.03889	1.5
214.05969	0.3
215.03239	0.3
217.04991	0.3
217.08620	1.3
218.04068	0.3
219.03023	0.2
219.21094	0.3
220.03693	0.3
220.54195	0.2
221.54965	0.3
222.05452	3.4
222.55711	0.3
224.55803	0.2
227.07039	14.2
228.03583	0.5
228.05484	4.2
228.07593	0.2
228.55626	0.6
229.04968	2.8
229.08566	3.8
230.05765	5.5
231.05934	0.3
234.05441	0.4
237.05984	8.8
237.56152	0.8
239.56264	1.3
243.06017	2.0
245.08107	100.0
246.08571	1.0
248.56816	1.2
252.06531	0.9
254.56702	0.4
257.08145	0.9
257.18958	0.3
263.57379	0.3
275.09155	6.5
275.16193	0.9
275.20105	2.2
275.27319	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	Fomajorin S
Peak:m/z	Relative Intensity
55.05489	1.3
66.39989	0.4
67.05515	2.0
69.07040	1.4
69.42813	3.4
79.05469	1.5
81.07072	2.9
83.08613	0.9
88.37614	0.4
91.05473	2.7
93.07059	2.4
95.08613	2.6
97.10147	0.5
105.07040	3.5
107.04916	0.5
107.08578	2.1
109.10146	1.5
117.07008	1.2
119.08569	1.8
121.10139	1.3
123.11642	0.6
131.04933	2.3
131.08551	1.3
133.10165	2.1
135.11690	0.6
144.05702	1.0
145.10112	1.2
147.11632	1.1
149.02322	0.9
149.13239	1.1
155.08562	6.1
158.07271	4.2
159.04443	0.8
159.08052	2.0
159.11707	0.6
163.14824	0.6
168.05754	0.5
171.04416	0.8
173.09608	1.3
173.13306	0.6
175.03928	4.9
183.08076	3.1
185.05963	1.2
187.03931	1.0
187.07407	0.7
201.09097	1.9
203.03468	0.5
203.07016	0.7
211.07550	32.5
213.05505	1.2
214.06255	5.0
217.37128	0.4
229.08612	42.9
229.19588	0.5
239.07043	16.5
242.05696	5.6
257.08102	100.0
258.08444	1.5
275.09152	46.6
275.20035	4.8
275.27240	1.0
276.09378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	Fomajorin S
Peak:m/z	Relative Intensity
53.03939	2.5
55.01865	2.6
55.05260	0.9
55.05517	14.5
56.96570	4.2
57.03426	2.1
57.07064	3.2
59.04985	1.4
65.03939	1.0
67.05508	23.9
69.03422	1.9
69.06725	1.2
69.07072	14.8
71.04981	3.4
71.57426	0.7
79.05062	1.7
79.05497	24.6
81.03404	1.3
81.07063	30.1
83.04986	3.9
83.08611	6.6
85.02915	1.3
85.06562	3.9
87.04496	0.8
91.05487	39.4
93.06474	1.3
93.07050	23.9
95.04965	3.9
95.08612	26.1
97.02865	0.9
97.06525	2.6
97.10171	2.6
98.97580	4.6
99.04423	1.4
99.08100	1.7
103.05470	2.0
105.07037	53.2
107.04956	6.0
107.08601	19.7
109.06532	4.8
109.10163	13.7
111.08067	2.4
111.11716	1.5
115.05454	2.1
116.98600	1.1
117.07016	9.6
119.04862	0.9
119.08588	32.3
121.06517	5.0
121.10142	14.8
122.07263	1.0
123.04443	0.9
123.08056	3.1
123.11726	3.8
125.09641	2.3
128.06256	1.1
128.98607	0.7
129.06984	3.6
130.07776	1.2
131.04918	3.3
131.08583	16.9
133.06566	1.7
133.10135	33.2
135.08058	5.7
135.11703	7.9
137.05919	0.9
137.09610	8.0
137.13171	0.9
139.11162	1.1
141.06995	2.1
143.08624	3.6
144.05759	0.9
145.06461	1.9
145.10123	15.8
147.04497	0.8
147.08060	1.6
147.11691	20.8
149.02304	0.7
149.09627	6.7
149.13268	5.0
151.03922	1.2
151.11186	2.1
153.06984	0.9
155.08559	12.8
156.09326	1.0
157.10147	3.8
158.07304	5.9
159.04427	2.0
159.08057	4.8
159.11702	10.7
161.05949	1.3
161.09656	3.7
161.13290	6.4
163.11182	5.4
163.14775	2.5
167.03448	1.4
168.05757	1.1
169.10158	2.6
171.11732	3.6
173.09619	3.3
173.13295	7.4
175.03937	9.1
175.11165	1.5
175.14832	2.1
176.04704	1.0
177.09183	1.3
177.12679	2.0
177.16325	1.3
183.08064	4.2
183.11685	2.5
185.05991	2.1
185.13277	1.3
186.06656	1.0
187.03951	2.5
187.07445	1.3
187.11218	1.9
187.14816	2.0
189.12706	1.7
191.14307	1.6
196.05109	1.0
197.13252	2.2
199.14792	2.3
201.09091	3.5
201.12752	2.2
201.16469	0.9
203.03384	1.9
203.06912	1.0
211.07564	43.6
211.14664	1.0
213.05450	2.0
213.16435	1.2
214.06236	7.0
215.07095	1.4
215.14345	1.5
215.17964	1.4
217.15894	1.9
219.13690	1.1
219.20998	1.0
229.08604	48.8
229.19498	2.0
231.08746	1.6
233.15318	1.0
233.19003	1.1
239.07039	15.0
239.17921	4.1
242.05826	5.9
243.06044	1.6
245.08075	1.1
247.20551	2.5
252.06432	1.7
257.08102	100.0
257.19000	11.1
258.08347	0.9
275.09140	44.6
275.16248	16.4
275.20071	93.7
275.27109	5.9
291.03824	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	275.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.9
56.96570	53.6
57.07072	3.1
65.03927	2.2
67.05504	15.9
68.02644	2.7
69.03432	2.2
69.07072	11.5
69.60725	6.8
69.61134	4.1
70.98129	28.4
71.04996	2.7
71.08633	2.2
71.95251	2.7
74.05636	1.6
79.05513	11.2
81.07053	22.2
83.04971	4.1
85.10200	2.0
88.07620	4.0
88.99164	5.9
91.05479	24.5
93.07047	12.4
95.01299	2.9
95.04993	2.2
95.08612	13.5
97.10168	2.3
98.21571	2.3
105.07035	30.3
106.08671	2.6
107.04956	3.2
107.08566	13.9
109.02883	7.8
109.06522	5.7
109.10163	10.4
110.03669	3.8
111.04449	8.8
113.05991	3.1
115.05443	2.5
117.07033	6.0
119.04945	2.7
119.08608	21.3
121.06496	2.9
121.10148	6.0
123.11728	3.6
124.01734	3.2
124.99149	2.1
125.02494	1.8
125.05992	18.3
126.03193	1.9
127.03947	3.5
128.06288	1.9
129.07022	4.9
131.08588	6.5
132.01491	2.8
133.02275	5.1
133.10144	15.5
135.08142	2.0
135.11665	5.5
139.02280	3.5
141.05476	52.0
142.05711	2.0
143.02542	3.9
143.08586	6.0
145.06506	3.9
145.10106	9.4
147.08051	3.3
147.11713	13.7
148.02800	2.9
149.05963	5.6
149.09610	2.5
149.13310	2.4
151.02246	3.7
152.03058	4.5
154.02815	2.0
155.03384	10.7
155.08530	3.7
158.07324	2.0
159.03882	7.2
159.08063	3.0
159.11690	7.3
161.02348	4.5
161.05968	2.7
161.09572	2.9
161.13231	2.8
163.14951	1.9
167.00191	3.0
168.04353	6.0
169.10132	2.8
173.01794	2.0
173.03578	2.6
173.13306	4.3
175.03925	5.7
177.05495	18.4
181.03375	3.8
184.05182	2.2
185.01270	5.1
185.06021	4.4
186.99136	2.6
187.03963	2.9
190.03920	3.3
191.03426	3.1
192.04379	4.4
196.02737	3.5
197.03581	8.9
197.09644	2.6
197.13216	1.9
203.07039	19.7
205.03384	4.2
205.05109	6.6
206.04135	12.6
206.54330	3.0
207.03027	2.2
209.04716	2.5
211.07396	2.5
212.06047	3.5
213.04980	5.9
213.55402	2.5
214.03845	3.2
214.05659	2.2
215.04730	2.2
215.10789	3.3
217.54842	3.4
218.04213	8.1
219.03096	3.9
221.06528	3.6
222.05437	6.2
222.55766	2.8
225.04880	4.2
225.09160	3.8
227.04636	21.3
227.07048	14.9
228.05536	4.8
229.05008	5.0
229.08612	8.2
230.05756	6.1
234.05441	29.8
234.55682	4.1
236.05243	15.1
237.05937	8.6
238.55336	2.5
239.18001	2.8
239.56158	3.1
243.06000	87.3
243.09868	14.7
243.56102	6.9
245.06102	3.9
245.08110	100.0
245.56287	3.2
247.02893	2.1
248.56805	2.2
251.02245	3.5
252.06509	56.1
252.56900	3.9
254.56708	10.5
257.01187	5.2
257.08124	7.4
257.19012	5.6
259.02887	4.9
261.06946	2.8
263.57394	6.5
266.02658	2.0
269.03442	2.4
274.27460	3.0
275.02316	6.2
275.05695	1.6
275.06467	1.7
275.09052	12.9
275.16241	21.9
275.20081	48.1
275.27621	7.6
277.03943	5.1
281.04654	3.1
295.04730	4.6
299.05917	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.9
56.96570	53.6
57.07072	3.1
65.03927	2.2
67.05504	15.9
68.02644	2.7
69.03432	2.2
69.07072	11.5
69.60725	6.8
69.61134	4.1
70.98129	28.4
71.04996	2.7
71.08633	2.2
71.95251	2.7
74.05636	1.6
79.05513	11.2
81.07053	22.2
83.04971	4.1
85.10200	2.0
88.07620	4.0
88.99164	5.9
91.05479	24.5
93.07047	12.4
95.01299	2.9
95.04993	2.2
95.08612	13.5
97.10168	2.3
98.21571	2.3
105.07035	30.3
106.08671	2.6
107.04956	3.2
107.08566	13.9
109.02883	7.8
109.06522	5.7
109.10163	10.4
110.03669	3.8
111.04449	8.8
113.05991	3.1
115.05443	2.5
117.07033	6.0
119.04945	2.7
119.08608	21.3
121.06496	2.9
121.10148	6.0
123.11728	3.6
124.01734	3.2
124.99149	2.1
125.02494	1.8
125.05992	18.3
126.03193	1.9
127.03947	3.5
128.06288	1.9
129.07022	4.9
131.08588	6.5
132.01491	2.8
133.02275	5.1
133.10144	15.5
135.08142	2.0
135.11665	5.5
139.02280	3.5
141.05476	52.0
142.05711	2.0
143.02542	3.9
143.08586	6.0
145.06506	3.9
145.10106	9.4
147.08051	3.3
147.11713	13.7
148.02800	2.9
149.05963	5.6
149.09610	2.5
149.13310	2.4
151.02246	3.7
152.03058	4.5
154.02815	2.0
155.03384	10.7
155.08530	3.7
158.07324	2.0
159.03882	7.2
159.08063	3.0
159.11690	7.3
161.02348	4.5
161.05968	2.7
161.09572	2.9
161.13231	2.8
163.14951	1.9
167.00191	3.0
168.04353	6.0
169.10132	2.8
173.01794	2.0
173.03578	2.6
173.13306	4.3
175.03925	5.7
177.05495	18.4
181.03375	3.8
184.05182	2.2
185.01270	5.1
185.06021	4.4
186.99136	2.6
187.03963	2.9
190.03920	3.3
191.03426	3.1
192.04379	4.4
196.02737	3.5
197.03581	8.9
197.09644	2.6
197.13216	1.9
203.07039	19.7
205.03384	4.2
205.05109	6.6
206.04135	12.6
206.54330	3.0
207.03027	2.2
209.04716	2.5
211.07396	2.5
212.06047	3.5
213.04980	5.9
213.55402	2.5
214.03845	3.2
214.05659	2.2
215.04730	2.2
215.10789	3.3
217.54842	3.4
218.04213	8.1
219.03096	3.9
221.06528	3.6
222.05437	6.2
222.55766	2.8
225.04880	4.2
225.09160	3.8
227.04636	21.3
227.07048	14.9
228.05536	4.8
229.05008	5.0
229.08612	8.2
230.05756	6.1
234.05441	29.8
234.55682	4.1
236.05243	15.1
237.05937	8.6
238.55336	2.5
239.18001	2.8
239.56158	3.1
243.06000	87.3
243.09868	14.7
243.56102	6.9
245.06102	3.9
245.08110	100.0
245.56287	3.2
247.02893	2.1
248.56805	2.2
251.02245	3.5
252.06509	56.1
252.56900	3.9
254.56708	10.5
257.01187	5.2
257.08124	7.4
257.19012	5.6
259.02887	4.9
261.06946	2.8
263.57394	6.5
266.02658	2.0
269.03442	2.4
274.27460	3.0
275.02316	6.2
275.05695	1.6
275.06467	1.7
275.09052	12.9
275.16241	21.9
275.20081	48.1
275.27621	7.6
277.03943	5.1
281.04654	3.1
295.04730	4.6
299.05917	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.05505	0.9
56.05019	0.7
56.96569	30.1
58.06589	1.1
66.27997	0.5
67.05494	2.2
69.03414	0.7
69.07077	3.2
70.06596	1.6
70.28312	0.5
70.28692	2.1
70.33171	0.5
70.98123	15.7
71.04998	1.1
71.95261	3.9
72.08168	1.2
74.06097	0.7
82.06580	1.5
83.04992	1.3
84.04517	0.6
84.08149	6.7
84.96032	1.0
85.06548	7.0
86.06062	3.9
88.99167	2.5
95.04997	0.8
98.97588	100.0
99.97955	1.5
100.07646	3.1
102.96889	1.1
110.06044	2.8
110.97573	5.1
111.04475	1.8
112.06818	1.0
112.07609	20.8
112.99152	1.6
113.05990	4.7
116.98624	34.2
124.99078	0.8
125.07139	0.8
127.09510	0.9
128.07088	23.6
128.10715	2.5
128.98590	5.1
130.08643	6.2
130.93320	1.4
131.00186	1.6
134.99684	6.9
138.09178	1.1
143.00269	0.6
146.08130	23.8
146.99644	4.9
152.10686	2.5
152.12730	0.7
154.96535	4.6
156.98131	0.7
158.99663	0.8
160.97586	0.6
165.00728	1.7
166.12218	1.1
170.96048	1.6
172.94374	4.4
172.97601	17.8
173.01289	0.7
174.99149	0.9
176.97052	0.6
180.10179	1.8
183.58429	0.6
186.99094	0.9
187.02997	0.7
188.97095	1.5
190.95441	1.7
190.98642	17.6
191.02351	0.6
194.11784	0.7
198.11241	1.7
200.97089	1.7
202.98540	0.7
205.00188	3.3
207.05240	0.8
208.99693	2.2
212.12805	1.4
214.95442	2.6
214.98698	2.6
215.02188	1.1
216.12338	15.7
218.98169	6.5
219.01797	2.1
220.99602	0.8
223.01170	1.2
230.13901	6.1
230.98169	0.6
232.96413	3.6
232.99701	13.3
236.99138	1.0
237.02864	1.5
243.07303	1.0
250.98125	1.1
251.00816	6.9
256.96448	11.8
256.98883	1.0
258.13235	1.2
274.18552	3.3
274.97525	56.6
275.07480	1.5
275.10818	3.0
275.16296	5.3
275.19217	5.0
292.98569	24.1
297.99432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37420	0.4
56.96568	9.8
60.59452	0.6
70.03121	2.0
71.95272	2.6
98.97590	100.0
116.98631	33.9
116.99287	0.4
125.20566	0.5
130.93317	0.8
134.99670	5.6
140.00186	0.7
163.17493	0.4
172.94357	5.4
190.95413	2.3
214.95462	3.5
232.96451	4.6
245.50220	0.4
250.97533	1.3
256.96442	14.2
257.13306	0.5
274.97522	61.5
292.98593	22.9
297.98981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1286
Annotation	(R)-glutaconylcarnitine
Peak:m/z	Relative Intensity
53.95868	0.6
57.07077	3.0
60.04535	4.9
63.64572	0.7
67.05508	1.9
70.02958	7.7
71.14965	0.7
71.15287	0.8
79.05489	1.0
81.07060	2.6
84.05637	0.6
85.06550	100.0
88.03996	29.8
97.02924	0.7
99.03252	0.8
99.08136	0.9
102.05551	60.4
107.04957	0.6
113.02386	0.7
125.06036	0.7
127.07578	0.7
145.08601	2.2
148.06061	41.6
155.21291	0.6
160.99426	0.7
196.09727	1.9
214.10779	6.5
228.12311	10.9
230.08063	0.6
233.75162	0.6
242.10239	4.4
256.11856	3.0
274.06818	0.8
274.13037	4.8
274.27542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
54.52196	0.9
55.05503	2.9
56.61209	0.8
56.96550	1.7
57.03436	1.0
57.77355	0.8
60.04528	11.2
60.05665	0.9
60.08146	2.8
60.79641	0.8
65.03941	1.1
66.43588	0.9
66.56581	0.9
67.05521	4.7
69.03425	0.9
69.07067	11.6
70.02959	7.3
70.06577	3.4
71.47183	1.5
72.08130	2.5
79.05497	20.4
81.03423	1.0
81.07062	74.5
83.04948	1.3
84.08131	2.5
85.02899	1.0
85.06551	1.9
86.06800	1.0
86.09710	1.4
88.03996	57.4
93.07012	1.7
97.02907	1.5
97.06542	2.1
97.22108	1.2
98.79075	0.9
98.97575	1.5
99.08091	2.7
102.05548	100.0
105.07040	1.1
107.04942	1.6
109.06521	8.1
109.49712	0.9
112.07600	1.0
113.02408	1.3
113.07117	0.9
118.06536	1.0
120.08104	2.1
122.06073	1.0
124.07581	2.6
126.09147	1.2
127.07587	1.7
129.06606	1.2
130.04962	2.7
130.06519	4.0
134.04488	1.6
136.07538	2.0
141.06508	1.2
146.04417	2.0
146.06017	1.7
147.04478	1.4
148.06055	91.4
154.08565	1.3
157.07620	3.7
158.06010	1.6
166.08614	3.1
170.06050	4.3
178.08624	11.4
184.09686	1.8
188.03874	4.6
188.05193	0.8
191.40686	0.8
194.08186	0.8
196.09706	6.1
198.11234	3.4
210.11252	13.4
212.09203	1.0
216.06564	3.4
224.09189	2.3
226.10719	2.0
228.07390	1.1
230.17584	2.2
238.10736	4.3
243.36348	0.9
244.11812	32.9
256.11865	26.3
274.07739	2.0
274.12970	11.2
274.27374	3.2
275.04849	2.2
275.13867	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	274.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51464	0.5
55.05508	1.0
57.07083	3.2
60.04535	5.9
64.99635	0.6
67.05504	3.5
69.03421	0.6
69.07055	0.9
69.39495	5.1
70.02959	9.3
70.06598	1.8
74.02445	2.3
79.05505	1.8
81.07065	5.9
85.06550	100.0
86.09720	1.2
88.03997	33.7
93.07075	0.7
95.04984	0.7
95.08604	4.0
98.97588	0.8
99.08102	5.0
102.05549	58.8
116.03479	1.5
121.06443	0.7
125.05968	0.7
127.07574	1.4
130.05023	1.0
131.08549	0.7
134.04489	5.5
137.06003	0.6
145.08655	1.8
148.06061	38.3
153.01826	1.0
190.52286	0.6
196.09711	1.5
214.08783	0.9
214.10732	6.8
217.20370	0.5
228.10168	0.9
228.12337	10.1
230.07957	2.5
242.10283	4.0
256.09586	0.9
256.11911	4.1
274.06982	1.3
274.10443	1.3
274.13190	7.5
274.18625	1.2
274.27451	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0748
Annotation	Ketanest
Peak:m/z	Relative Intensity
51.15189	0.7
53.03932	1.9
55.01856	1.0
55.05505	2.1
56.05026	0.9
56.96571	4.5
57.03422	1.4
58.06596	1.7
59.46344	0.7
61.02934	0.9
67.05500	3.1
69.03429	3.1
70.06596	9.5
70.27733	0.9
71.04977	1.8
71.08621	0.8
71.58193	0.8
72.04508	3.7
72.08159	18.5
74.06075	1.6
79.05482	3.1
80.05012	0.9
81.03400	2.4
81.07092	1.7
82.06572	1.7
83.04996	1.3
84.04505	1.2
84.08144	7.4
85.01138	6.0
85.02894	3.0
85.08448	1.5
85.08930	22.8
86.09705	2.9
88.04001	0.8
88.07642	1.3
91.05470	2.0
93.07040	1.0
95.04970	6.3
96.08091	1.0
97.02885	3.0
98.97581	6.0
102.05549	10.2
107.04968	1.5
109.01117	4.6
109.02856	1.2
109.06488	1.4
110.06033	0.9
111.02680	12.3
111.04426	0.9
112.07595	2.5
113.04212	1.6
113.06020	0.9
116.05308	1.6
116.07089	1.3
116.98611	3.0
119.42600	0.8
121.06512	0.9
123.02638	3.6
123.04420	0.8
124.07600	3.6
125.06995	0.9
126.09187	1.7
127.03968	0.8
128.07095	1.1
128.98633	1.1
131.04805	0.8
134.99658	1.1
137.00569	11.5
138.98476	1.0
139.02139	32.9
139.03786	1.4
140.02338	1.0
140.03351	1.1
140.07114	0.9
141.00073	2.6
142.45673	0.9
143.08212	1.0
145.06386	0.9
148.05954	0.9
149.00551	4.3
151.07553	1.6
152.07027	1.0
154.08586	0.8
155.01617	10.9
156.10246	1.0
157.03201	9.8
157.07611	0.9
161.12886	1.0
165.00076	14.0
167.01643	9.7
168.06682	1.4
169.01344	0.9
174.11342	1.2
175.11946	1.1
177.00717	1.0
182.08238	1.0
183.01131	25.9
185.02759	1.2
192.97900	1.4
192.99568	14.9
195.41080	0.9
211.00623	34.7
219.01982	1.3
228.06877	6.1
229.01677	12.4
238.10689	1.0
247.02730	1.3
256.06409	4.9
256.11823	2.4
274.07449	100.0
274.12631	3.3
274.16299	7.9
274.18622	3.1
274.27438	4.5
275.07626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2579
Annotation	Trixagoene
Peak:m/z	Relative Intensity
52.01400	0.9
53.03933	2.4
55.05301	1.0
55.05516	12.2
56.96564	7.1
57.07075	7.0
57.93431	0.8
65.03927	1.1
67.05181	1.8
67.05508	24.8
69.06718	1.1
69.07073	19.5
70.05352	4.0
71.08625	3.5
77.03923	1.1
79.05499	16.3
80.04347	0.8
81.07064	50.8
83.04986	1.1
83.08629	9.5
85.10172	1.5
91.04949	1.7
91.05480	17.5
93.07048	27.6
93.84642	0.8
95.04977	1.6
95.08614	56.5
97.10148	4.6
97.23145	1.2
98.97592	2.0
102.08746	0.9
105.07037	35.6
107.04940	1.6
107.08608	26.2
109.06529	1.5
109.10163	29.4
109.10917	1.7
111.11726	1.1
115.05485	1.5
117.07018	2.8
119.08596	24.3
121.06573	1.5
121.10150	20.3
123.11716	13.9
128.06215	1.0
129.07042	1.8
131.08607	4.3
133.06522	1.0
133.10143	38.4
135.11696	14.8
137.13268	4.8
143.08568	2.2
145.06406	1.3
145.10129	3.6
147.11699	27.3
149.02435	0.9
149.13269	7.5
151.14828	2.8
157.10182	1.9
159.11729	2.3
161.09532	1.7
161.13263	17.2
163.03883	1.6
163.14854	7.7
165.16411	2.9
171.11710	1.2
173.13242	1.1
175.14839	12.7
177.16388	10.5
179.17929	3.4
189.05406	1.5
189.16383	13.7
191.17923	6.6
203.17990	9.5
209.02879	1.1
212.02213	1.1
213.16547	1.2
217.19485	10.6
231.21114	2.7
241.04498	3.5
245.22531	1.4
250.04944	8.9
250.55167	2.5
259.05447	5.8
261.55945	1.8
273.07419	2.8
273.12195	1.0
273.14969	2.5
273.18509	7.6
273.25787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2214
Annotation	3-Oxo-delta4-steroid
Peak:m/z	Relative Intensity
55.05516	7.6
56.96571	4.2
57.07075	3.4
64.53452	1.4
67.05508	10.9
67.25716	1.6
69.07075	11.3
69.38190	5.8
69.38607	7.8
71.04996	20.2
76.55781	1.5
79.05488	7.6
81.07065	39.1
83.04978	2.5
83.08607	5.0
85.06555	5.3
91.05489	15.1
93.07050	21.7
95.04976	6.7
95.08615	28.9
97.06520	1.6
97.10193	3.2
99.08030	1.8
100.74410	1.6
105.07038	37.7
107.04900	1.6
107.08591	26.7
109.06512	6.2
109.10166	19.5
111.08076	12.2
113.09647	7.3
115.05480	1.6
115.74117	1.6
117.07027	4.7
119.08591	59.3
119.09455	3.0
121.06544	2.0
121.10164	22.1
123.08089	2.3
123.11718	12.6
129.07053	4.3
131.08578	17.6
133.10147	17.4
135.08041	3.7
135.11707	9.9
137.02287	2.8
137.09619	2.1
137.13248	2.4
141.07085	2.1
142.07745	3.4
143.08580	11.1
144.09355	2.6
145.10130	26.1
147.08051	1.8
147.11703	15.8
149.02386	5.0
149.09637	4.8
149.13278	6.4
151.11177	3.3
156.09354	3.4
157.10112	19.3
158.10843	2.7
159.11707	55.0
161.09566	2.8
161.13264	14.2
163.14838	3.5
170.10960	2.2
171.11674	10.1
173.13284	19.9
175.11279	1.9
175.14819	5.2
177.12732	6.9
179.14314	2.6
185.13248	12.0
187.07579	2.1
187.14786	4.5
189.16418	4.9
191.14314	2.3
199.07607	2.2
199.14830	18.6
200.15463	2.0
201.16446	1.6
203.17964	5.4
213.16385	13.0
215.17966	64.1
217.15970	4.7
220.37297	1.7
220.82156	1.8
227.17940	5.0
229.19463	8.2
231.17503	2.5
231.21021	2.1
234.73695	1.7
245.18910	2.1
255.17155	2.4
255.21104	56.7
258.81577	1.7
273.07257	3.1
273.14740	4.8
273.18646	6.9
273.22125	100.0
274.22345	1.7
274.27457	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	273.2579
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03941	1.9
55.05519	17.7
57.07083	8.8
65.03949	1.1
67.05171	1.4
67.05515	26.9
69.07075	38.5
70.82635	3.6
71.08651	2.2
79.05500	14.2
81.07066	69.5
83.08629	13.7
85.10138	1.7
85.35171	1.3
91.05482	13.3
93.06461	2.2
93.07050	39.6
95.08617	75.6
97.10197	9.3
105.06386	1.5
105.07045	27.4
107.08604	52.2
109.06528	1.7
109.10168	57.6
111.11729	4.0
113.47701	1.1
119.04955	1.1
119.07790	1.7
119.08596	26.0
121.10159	51.6
123.11724	41.7
123.12444	0.7
131.08568	2.3
133.10144	17.4
135.11702	32.0
137.13268	13.7
145.10141	2.6
147.11693	19.4
149.02432	1.3
149.13274	46.4
151.14839	7.2
159.11792	1.7
161.13269	28.3
163.14841	29.8
165.16403	3.1
175.14857	12.2
177.16426	17.9
189.16414	22.7
191.17966	10.4
203.17989	18.6
217.19527	28.6
231.21149	2.2
245.22838	1.1
249.47340	1.1
273.25803	100.0
278.04385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1853
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03952	1.9
55.01866	4.1
55.05514	10.9
56.88447	1.1
56.96560	3.7
57.03427	1.4
57.07077	2.7
65.03945	1.2
67.05511	13.4
68.56248	1.0
69.03413	1.6
69.07069	7.6
71.04987	1.5
71.11325	2.1
72.58598	1.0
79.05496	12.4
81.03429	1.1
81.07059	16.6
82.40382	1.0
83.04977	1.4
83.08607	4.1
87.61833	1.1
91.05489	29.4
92.05773	1.7
93.07050	19.9
95.04951	3.6
95.08620	10.8
97.06530	2.4
97.10195	1.4
103.05479	1.8
105.07035	24.1
107.04965	4.6
107.08612	14.7
109.06538	2.1
109.10141	4.7
111.08067	1.9
115.05488	2.2
116.06230	1.3
117.07036	15.9
119.04926	1.1
119.07789	1.5
119.08593	20.1
121.06489	4.4
121.10115	5.4
123.08085	1.9
125.06006	2.0
128.06233	2.9
129.06999	8.1
130.07779	3.3
131.08574	32.1
133.06503	3.4
133.10139	11.3
135.08052	2.3
135.11696	4.2
137.02328	2.1
137.05975	2.6
137.09636	1.3
139.07544	1.2
141.06978	1.5
142.07802	3.2
143.08566	13.1
144.09343	1.3
145.06525	2.2
145.10132	26.3
147.08052	10.7
147.11713	5.2
149.02328	3.3
149.05952	2.3
149.09608	3.4
149.13263	5.4
151.07565	1.4
153.01837	2.8
155.08598	2.1
156.09331	1.5
157.10146	12.3
159.08063	4.2
159.11711	9.8
161.09616	6.3
163.07556	1.6
163.11136	2.4
163.82863	1.2
167.03404	2.9
169.06557	1.2
169.10101	1.5
171.11696	7.7
173.09669	2.1
173.13243	2.6
175.11224	3.8
181.10086	1.7
184.08739	1.3
185.09682	1.7
185.13264	6.4
189.12607	1.5
195.11707	2.5
197.13152	1.5
199.11240	3.1
199.14857	3.0
201.16467	1.3
205.12206	1.4
209.13191	1.6
213.12854	1.9
213.16457	1.5
217.12209	3.3
227.10718	2.1
227.17938	20.1
231.13884	2.2
237.16496	3.1
245.19092	3.8
255.09932	1.4
255.17497	10.6
273.07495	5.2
273.11850	1.8
273.18521	100.0
274.18796	1.4
274.27515	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	273.1852
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03928	2.5
55.01873	3.0
55.05506	8.4
56.96558	5.4
57.07071	6.1
59.24836	1.8
67.05511	13.0
69.03410	6.1
69.07069	14.6
71.05013	2.7
71.58385	3.7
79.05508	18.1
81.07056	28.9
83.04977	3.9
83.08633	6.0
89.99028	2.1
91.05489	31.3
93.07049	43.4
95.04977	4.0
95.08619	31.0
97.06501	3.8
103.05500	2.7
105.07034	47.6
107.04947	5.5
107.08601	29.1
109.06494	3.7
109.10144	11.7
115.54085	2.1
117.07050	12.3
119.04945	8.2
119.07797	2.8
119.08589	32.3
121.06509	7.7
121.10160	19.3
123.11722	3.3
125.06009	4.1
128.06219	3.1
129.06975	8.0
130.07835	2.3
131.04863	2.1
131.08572	23.3
133.06491	6.3
133.10136	25.7
135.08000	3.0
135.11742	10.5
137.05959	4.2
137.13214	3.4
142.07797	6.1
143.08549	20.8
144.09377	2.8
145.06555	3.4
145.10126	40.1
147.04422	2.5
147.08020	3.7
147.11758	13.1
149.02435	3.5
149.05975	8.8
149.13261	8.6
153.01852	6.8
156.09338	4.6
157.10129	23.3
159.08069	3.0
159.11725	22.4
161.05966	2.4
161.09656	3.3
161.13274	5.2
163.07585	4.8
165.09068	2.5
167.03448	4.4
169.10210	3.4
170.10925	3.1
171.08096	2.4
171.11696	28.7
173.09618	2.6
173.13257	9.7
175.11203	4.1
177.09138	4.7
185.09601	2.3
185.13278	19.6
187.03870	2.5
187.11194	2.4
187.14893	3.1
189.09091	5.7
189.12709	2.4
191.03587	2.2
191.10590	2.3
197.13257	4.9
199.11208	7.7
199.14886	8.0
201.16461	2.9
203.06998	5.1
203.10641	3.1
213.12724	2.5
213.16454	3.4
215.14397	2.9
217.12184	10.3
223.15724	2.3
227.17964	69.7
231.13846	2.6
231.17198	2.6
231.56958	2.1
241.09976	2.5
245.08118	3.3
245.19034	5.8
255.06406	2.4
255.14613	2.7
255.17363	21.3
273.04721	2.5
273.07553	16.9
273.11185	5.9
273.14951	7.6
273.18524	100.0
273.21643	3.2
273.30075	3.4
274.27298	4.3
289.36871	2.1
291.19611	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	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05516	10.2
56.96569	6.4
57.03412	2.5
57.07090	2.9
66.80080	1.8
67.05511	12.5
69.07059	8.6
70.59954	4.8
70.60289	4.1
71.04989	4.2
79.05508	11.8
81.07059	17.0
82.14249	2.4
83.04986	4.3
83.08605	6.6
83.41877	2.2
85.06550	5.1
91.05489	14.9
93.07055	13.0
93.07547	2.1
95.04986	22.4
95.08614	15.5
98.20760	2.3
98.97599	4.1
99.04440	2.5
99.08175	2.6
105.07042	22.9
107.04967	7.2
107.08607	18.5
109.06529	19.1
109.10177	12.8
111.08109	6.2
112.39426	2.4
117.06996	6.7
119.08596	24.5
121.06526	2.7
121.10153	9.2
123.08083	14.3
123.11720	4.2
128.06195	4.9
129.07024	10.4
131.08572	18.9
133.06503	3.8
133.10123	16.5
135.08051	9.7
135.11717	7.2
137.09631	8.2
142.07745	5.2
143.08578	12.1
144.09351	4.5
145.10135	37.0
147.08061	5.4
147.11707	15.9
149.09610	3.9
149.13283	3.7
151.07503	2.9
151.11111	4.3
152.04227	2.6
153.04472	2.1
155.08511	3.5
156.09363	9.6
157.10138	22.8
158.10887	5.7
159.08095	5.1
159.11716	14.1
161.09639	8.6
161.13306	5.2
163.11165	4.9
167.08624	3.4
169.10143	4.6
170.10933	4.1
171.11664	17.6
172.12502	2.5
173.09628	8.9
173.13249	23.7
174.10437	2.7
175.11206	8.7
181.10165	4.2
183.11685	4.8
185.13277	12.9
187.11188	16.2
187.14830	4.8
189.12718	19.1
189.16399	2.5
195.11656	2.2
196.12514	2.3
197.13289	13.9
199.11185	10.5
201.12750	3.1
203.10750	2.7
203.14288	2.5
211.14871	5.0
212.15587	3.6
213.12711	4.1
213.16377	13.9
215.14346	36.2
217.12161	10.7
227.17957	2.5
229.15871	3.1
231.17441	12.6
255.17474	27.3
257.04523	10.0
273.07556	14.4
273.10471	7.0
273.15402	4.7
273.18524	100.0
273.25879	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03954	3.3
55.01872	2.9
55.05525	12.9
55.05735	1.9
56.96551	3.2
57.07068	4.0
62.06077	3.9
63.48951	1.9
65.91048	2.0
67.05508	13.0
69.07067	13.7
69.49915	4.5
69.50316	14.7
71.08623	2.4
72.40541	2.3
79.05492	19.0
81.07059	34.3
83.08621	5.9
88.06127	1.9
89.88326	2.2
90.80869	1.9
91.05496	27.5
93.07047	54.7
95.04943	5.4
95.08612	39.5
97.06525	4.5
103.05518	3.4
105.07032	40.0
107.04928	4.0
107.08601	30.6
109.06525	6.3
109.10162	9.3
111.04429	2.8
117.07024	12.9
119.08586	34.8
121.06489	3.2
121.10172	14.3
122.20860	1.9
123.04475	2.3
123.11725	4.8
125.06020	3.9
128.06241	4.8
129.06995	10.6
130.07809	6.0
131.05005	1.9
131.08575	27.2
133.06403	2.7
133.10130	23.3
135.08047	4.3
135.11725	8.4
137.05991	7.8
137.09489	2.3
137.13260	3.8
142.07794	8.2
143.08572	29.3
144.09328	4.0
145.06493	3.1
145.10124	88.0
147.04439	2.6
147.08060	2.6
147.11684	14.1
149.02315	2.2
149.05992	8.9
149.13239	2.8
151.07541	3.8
153.01881	3.4
155.08499	2.5
156.09354	7.4
157.10127	31.0
159.11673	22.7
161.09662	5.1
161.13258	4.8
163.07561	4.8
163.14838	4.8
165.09229	2.5
169.01350	6.1
170.10956	2.7
171.11694	50.2
172.88182	2.2
173.09703	2.2
173.13292	11.1
177.09138	2.6
179.10643	2.7
181.10306	2.4
183.11617	3.2
185.13246	18.5
187.14807	2.6
189.09172	4.1
189.12732	3.2
191.10600	2.1
197.13287	2.9
199.07654	3.6
199.11172	10.8
199.14819	7.3
201.16412	2.7
211.14816	2.8
213.12741	2.7
217.12282	30.1
218.12556	2.4
227.04037	2.6
227.17952	100.0
231.13849	3.7
245.18985	4.3
255.06677	3.7
255.17390	21.0
273.07330	21.2
273.15387	4.6
273.18539	85.6
273.21677	5.6
273.29837	17.5
274.27499	5.0
284.58600	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	273.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
56.05025	0.4
56.96568	5.2
57.03425	0.8
58.06603	16.4
58.96574	0.2
67.05508	0.3
69.03434	1.4
69.07069	0.3
70.06577	1.0
70.21706	1.1
70.98119	0.4
71.04996	2.5
72.08147	0.8
73.02909	0.9
73.06552	0.5
79.16522	0.2
79.22208	0.3
81.03416	0.6
82.06599	0.4
83.04976	0.5
83.22303	0.3
84.08144	8.8
84.96023	0.8
85.02921	1.3
85.06535	0.6
85.08411	0.3
86.06066	0.4
86.09695	0.4
87.04482	0.3
92.03138	0.3
92.05052	0.3
96.04517	0.3
96.08131	0.6
97.02886	1.4
97.08472	0.6
98.06044	0.7
98.09711	2.0
98.84428	0.3
98.97594	10.4
99.04440	0.4
99.97911	0.8
102.41639	0.3
103.09467	0.3
110.06022	0.8
110.97586	1.0
112.07597	3.0
112.99120	0.5
113.05973	0.6
114.09149	0.3
116.10722	2.7
116.98640	2.7
117.98943	0.3
119.01836	0.5
122.06035	0.3
124.07560	0.3
124.99137	0.4
126.09170	2.5
127.03946	0.7
128.02335	0.2
128.07094	1.0
128.10722	0.9
128.98636	0.4
129.02203	0.4
129.11050	0.6
130.08632	0.6
131.00226	0.3
131.01865	0.3
134.99661	0.6
140.98532	0.3
143.00171	0.6
143.11777	2.6
144.10214	1.8
146.08192	0.3
147.03377	0.3
148.03838	0.7
150.09161	1.0
154.08636	1.0
155.04652	1.5
155.54852	1.3
158.11801	0.3
158.99672	1.1
159.03256	0.4
161.02965	0.3
161.04671	0.4
164.05231	0.3
164.10727	0.7
168.10194	0.5
170.05196	0.8
170.99609	0.4
172.94337	0.9
173.01248	0.4
177.00719	0.6
182.53500	0.3
189.00827	0.3
190.95410	0.6
192.10223	0.3
196.09677	1.8
205.03845	0.3
205.05434	1.2
206.56586	0.3
209.16489	0.3
210.11264	1.0
213.04323	0.3
214.10776	2.9
214.95410	0.3
219.01871	0.6
227.06964	0.5
227.56914	1.7
228.12271	2.1
230.98169	0.4
232.96535	0.4
237.02745	0.4
242.07054	0.3
248.99268	0.6
255.17044	4.0
272.60242	0.6
273.08487	2.6
273.18100	100.0
274.09698	0.4
274.18436	1.1
290.97000	0.3
291.09476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1123
Annotation	4'-O-Methyldavidigenin
Peak:m/z	Relative Intensity
55.01873	1.7
55.05502	2.0
56.96558	1.8
58.21547	1.1
65.03939	3.0
67.05499	2.5
68.99789	1.8
69.03420	2.7
69.07061	2.4
70.21088	2.7
70.21478	3.6
79.05496	4.9
81.07067	7.7
85.02947	1.5
91.05489	45.4
91.60832	1.3
93.07054	4.5
95.04967	3.1
95.08602	5.8
97.02887	3.5
98.97560	1.5
99.04455	1.7
103.05473	100.0
105.07037	10.1
107.04956	4.1
107.08604	3.6
108.02129	2.1
109.10165	4.3
110.03638	2.7
111.04464	2.4
115.05457	9.9
117.07018	30.7
119.04939	2.0
119.08577	2.3
121.02840	1.6
121.06509	18.7
121.10104	2.6
123.04436	4.4
125.06000	26.9
129.07034	7.0
131.04936	56.0
131.08562	7.4
133.06412	1.6
133.10133	3.6
135.04401	4.3
135.08073	1.4
135.11755	2.0
136.01628	1.6
137.05978	6.0
141.07025	3.0
143.08592	8.8
145.10100	1.7
147.08096	1.5
147.11693	3.4
149.06004	7.1
151.03917	66.1
152.06235	2.7
153.01849	1.8
157.10101	2.1
161.09500	2.0
165.06990	3.0
166.07773	5.4
167.08583	5.3
173.51714	1.2
175.14929	1.4
177.05470	1.6
177.06976	2.2
179.08615	2.7
181.06520	1.2
181.10158	2.7
194.07262	8.3
195.08064	3.4
196.08757	1.4
199.11252	2.7
209.09642	8.1
212.08347	4.0
213.16400	2.7
227.10680	56.0
237.09119	26.5
255.10190	12.8
255.17290	1.8
273.07724	2.6
273.11188	2.2
273.14847	2.3
273.18469	8.4
273.25800	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	273.1122
Annotation	Ephemeranthol B
Peak:m/z	Relative Intensity
53.03936	1.9
53.90897	0.8
55.01884	5.1
55.05494	2.6
57.03424	1.8
59.58146	0.8
65.03941	1.3
67.05509	8.1
68.99771	1.7
69.03436	5.2
69.07067	2.0
69.21999	8.6
71.01344	3.2
79.05486	2.9
81.03426	8.2
81.07072	5.5
83.04974	3.4
83.08596	1.6
85.02917	11.1
87.00812	3.3
91.05505	5.3
93.07031	3.5
95.04975	4.8
95.08602	5.0
97.02892	4.3
97.10119	0.9
98.97591	1.0
99.04455	1.9
101.02394	1.5
103.03922	1.1
103.05470	4.4
105.01878	0.8
105.07045	5.6
105.07634	1.1
105.48946	0.8
107.04947	1.8
107.08589	2.7
109.02897	1.7
109.10154	3.1
110.03631	1.1
111.04440	2.8
111.11644	0.7
115.05439	7.8
116.06221	1.2
117.07034	4.3
119.04971	1.2
119.08610	4.2
121.02921	1.0
121.06452	2.2
121.10123	3.3
123.04453	4.8
123.11699	1.7
127.03915	3.6
128.06200	4.5
129.07025	5.0
130.07776	1.3
131.04959	4.5
131.08543	2.8
132.05714	0.9
133.06470	2.6
133.10152	2.2
135.08051	1.7
135.11667	2.1
137.05988	4.0
141.05408	1.1
141.07008	7.6
142.07788	2.2
143.04974	3.9
143.08556	3.2
144.05701	6.1
145.06491	2.7
145.10133	2.4
147.04402	2.3
147.11708	1.8
149.02339	1.3
149.05940	1.4
149.13181	2.1
151.03899	2.6
151.07500	1.0
152.06230	3.3
153.06993	4.0
155.04895	1.5
155.06021	0.9
155.08589	3.1
157.06499	3.2
157.10127	2.2
158.07272	8.8
159.04401	2.0
159.08107	2.8
159.11682	1.2
160.05231	2.5
161.05995	20.7
161.09656	1.5
161.13326	1.3
162.06743	3.0
163.07571	3.0
163.14835	1.5
164.08412	1.9
165.07011	3.3
166.07787	1.8
167.02954	1.0
167.08565	9.3
168.05730	1.3
169.04985	3.1
169.06493	10.1
170.07185	1.7
171.03104	1.4
171.04393	6.0
171.08084	6.1
171.11665	1.1
172.05182	3.0
173.05952	1.4
173.09692	2.6
174.06746	6.3
175.03880	1.3
175.07530	6.4
175.14827	1.0
177.05548	1.3
177.07024	1.0
177.09140	3.5
179.07245	0.8
181.06509	4.7
182.07286	0.9
183.08043	2.2
184.08820	2.1
185.05984	5.1
185.09627	3.6
185.13322	1.2
186.06793	7.0
187.05971	2.7
187.07561	11.5
188.04691	6.3
188.08334	1.3
189.03937	1.6
189.05472	16.3
189.09132	2.6
189.16335	1.1
190.06300	1.1
191.07037	12.6
195.08055	13.5
197.06001	6.3
197.09709	1.4
197.13196	0.9
198.06763	2.2
199.03914	9.6
199.07625	3.7
200.04697	1.6
200.08353	1.4
201.09116	30.8
203.07031	2.4
203.10686	6.1
203.17889	0.8
204.07713	2.4
211.07671	2.4
212.08298	3.5
213.05450	2.4
213.09166	7.4
214.06242	7.3
214.10069	1.0
215.07191	1.5
215.10725	6.2
217.02899	1.1
217.04993	20.6
217.08473	1.0
217.19493	1.5
223.07578	4.0
225.09128	1.1
227.07115	1.8
227.10686	12.3
229.08612	12.0
231.10236	2.8
232.07327	41.2
237.09100	1.2
240.07938	1.0
241.08527	3.7
243.10184	1.4
245.08084	1.4
245.11816	4.1
255.10210	12.9
255.17493	1.1
258.09003	1.2
273.06509	2.6
273.11230	100.0
273.18332	5.5
273.25812	7.0
274.11258	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01875	0.9
55.05507	1.5
56.96562	1.8
57.07072	0.8
65.03938	1.0
67.05512	3.1
68.99793	2.5
69.03428	1.2
69.07066	3.5
79.05491	4.1
81.03423	8.4
81.07061	8.2
83.08604	1.3
84.07001	0.5
88.03998	0.8
89.03921	4.9
91.05490	4.8
93.03410	1.9
93.07041	4.6
95.01344	0.6
95.04983	1.5
95.08618	7.3
96.02114	1.0
97.06528	0.8
97.52856	0.5
98.97587	1.3
99.04430	0.8
102.05538	1.0
105.03414	0.7
105.07031	4.5
107.04938	3.6
107.08600	5.9
109.02869	1.6
109.06502	0.7
109.10175	4.5
111.04460	2.8
111.11853	0.5
115.05473	2.1
116.98611	0.5
117.03384	9.3
117.07014	1.2
119.04985	0.8
119.08562	4.0
120.96403	0.5
121.02819	0.7
121.06486	0.6
121.10153	3.0
123.04407	2.2
123.11710	2.2
127.03913	1.2
128.06210	4.2
129.07007	2.4
130.07758	0.6
131.04906	0.9
131.08575	2.0
133.10130	4.2
135.04425	12.7
135.11705	2.3
137.02345	100.0
139.03943	1.1
139.05431	1.2
140.10391	0.6
141.07034	1.9
143.08559	1.8
145.02858	8.9
145.06444	0.8
145.10121	1.8
147.04402	0.7
147.08191	0.5
147.11720	2.8
148.06052	1.1
149.02451	0.5
149.13269	2.8
152.06215	3.1
153.07004	7.6
154.07784	1.1
155.03503	0.8
155.06084	0.5
155.08575	3.8
157.06512	2.0
157.10185	1.3
157.59041	0.5
159.11816	0.7
161.09634	0.8
161.13248	2.4
163.03917	58.4
163.14835	1.2
164.04292	0.8
165.07025	1.6
167.04820	0.7
168.05695	1.6
169.06502	1.6
171.08080	1.9
171.11710	0.9
175.03914	2.2
175.14716	0.7
177.16507	1.0
181.06505	9.1
182.07240	1.5
183.08105	1.9
184.05191	0.8
185.05965	1.3
185.13148	1.1
187.07530	1.1
189.05469	2.8
189.12796	0.6
189.16353	1.7
191.17964	0.7
195.04395	0.6
197.05971	0.9
199.07509	2.1
203.03398	17.7
203.07051	0.9
203.17934	0.9
209.06018	6.7
210.06717	0.7
211.07509	1.1
212.04645	1.1
213.05467	1.6
215.14391	0.8
216.07214	0.9
217.19501	1.6
225.05437	0.7
227.07065	7.3
229.15971	0.6
231.06549	1.5
237.05525	2.4
237.16403	0.6
243.06453	1.0
245.08148	3.1
255.06544	32.9
255.17413	1.1
256.06873	0.8
258.05228	2.9
273.07587	79.7
273.18427	4.4
273.22583	0.8
273.25745	8.9
274.07895	1.1
274.13965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
53.72743	0.4
55.01892	0.5
55.05503	1.2
56.05046	1.0
56.96574	2.0
57.03439	0.6
58.06598	0.7
61.02919	0.6
67.05510	0.4
69.03431	1.1
69.67734	1.8
69.68165	1.1
70.06595	4.1
71.04990	1.2
72.04503	0.9
72.08151	1.9
73.06553	0.6
78.03480	1.0
80.05016	1.3
81.03407	3.1
81.07056	0.5
82.06569	3.1
83.04984	1.5
84.08137	4.9
85.02909	1.7
85.06538	1.7
85.07664	0.6
85.08923	0.6
86.09737	0.6
96.04477	2.2
96.08128	4.3
97.02872	1.1
97.07659	1.0
97.87257	0.4
98.06052	2.0
98.09693	6.3
98.20734	0.8
98.97570	3.7
99.04476	0.5
99.06828	0.8
99.09209	2.7
99.10417	0.5
100.07600	2.4
102.09197	0.6
105.07037	0.5
107.04961	0.5
108.08105	2.2
109.02914	0.6
110.06035	0.6
110.07181	1.7
110.09686	0.5
110.97566	1.0
112.03957	1.3
112.07588	1.0
113.06007	8.3
115.08691	4.4
116.07099	0.5
116.10734	5.3
116.98642	1.1
121.06541	0.7
122.02388	6.7
123.04461	0.4
123.09170	0.6
124.03954	9.1
126.09157	19.7
128.98592	0.5
133.04980	0.6
136.07610	0.5
139.08679	0.6
140.03426	100.0
141.03752	0.6
141.06592	1.4
147.03181	0.5
149.05952	0.5
153.10254	1.0
155.04666	3.3
158.11763	39.6
158.99675	1.0
164.05266	0.7
167.11711	0.6
177.00626	0.4
177.10268	1.1
182.05229	0.5
195.11284	26.3
197.09203	0.6
213.13171	1.2
219.01717	0.7
222.15942	2.9
227.06837	1.0
227.12044	0.4
227.13887	2.6
240.12268	1.8
240.17065	3.8
254.18594	0.6
272.07666	8.3
272.11163	1.8
272.15045	3.0
272.19666	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.076
Annotation	75514-30-6
Peak:m/z	Relative Intensity
53.03949	1.5
55.01875	0.9
55.05507	1.5
56.96562	1.8
57.07072	0.8
65.03938	1.0
67.05512	3.1
68.99793	2.5
69.03428	1.2
69.07066	3.5
79.05491	4.1
81.03423	8.4
81.07061	8.2
83.08604	1.3
84.07001	0.5
88.03998	0.8
89.03921	4.9
91.05490	4.8
93.03410	1.9
93.07041	4.6
95.01344	0.6
95.04983	1.5
95.08618	7.3
96.02114	1.0
97.06528	0.8
97.52856	0.5
98.97587	1.3
99.04430	0.8
102.05538	1.0
105.03414	0.7
105.07031	4.5
107.04938	3.6
107.08600	5.9
109.02869	1.6
109.06502	0.7
109.10175	4.5
111.04460	2.8
111.11853	0.5
115.05473	2.1
116.98611	0.5
117.03384	9.3
117.07014	1.2
119.04985	0.8
119.08562	4.0
120.96403	0.5
121.02819	0.7
121.06486	0.6
121.10153	3.0
123.04407	2.2
123.11710	2.2
127.03913	1.2
128.06210	4.2
129.07007	2.4
130.07758	0.6
131.04906	0.9
131.08575	2.0
133.10130	4.2
135.04425	12.7
135.11705	2.3
137.02345	100.0
139.03943	1.1
139.05431	1.2
140.10391	0.6
141.07034	1.9
143.08559	1.8
145.02858	8.9
145.06444	0.8
145.10121	1.8
147.04402	0.7
147.08191	0.5
147.11720	2.8
148.06052	1.1
149.02451	0.5
149.13269	2.8
152.06215	3.1
153.07004	7.6
154.07784	1.1
155.03503	0.8
155.06084	0.5
155.08575	3.8
157.06512	2.0
157.10185	1.3
157.59041	0.5
159.11816	0.7
161.09634	0.8
161.13248	2.4
163.03917	58.4
163.14835	1.2
164.04292	0.8
165.07025	1.6
167.04820	0.7
168.05695	1.6
169.06502	1.6
171.08080	1.9
171.11710	0.9
175.03914	2.2
175.14716	0.7
177.16507	1.0
181.06505	9.1
182.07240	1.5
183.08105	1.9
184.05191	0.8
185.05965	1.3
185.13148	1.1
187.07530	1.1
189.05469	2.8
189.12796	0.6
189.16353	1.7
191.17964	0.7
195.04395	0.6
197.05971	0.9
199.07509	2.1
203.03398	17.7
203.07051	0.9
203.17934	0.9
209.06018	6.7
210.06717	0.7
211.07509	1.1
212.04645	1.1
213.05467	1.6
215.14391	0.8
216.07214	0.9
217.19501	1.6
225.05437	0.7
227.07065	7.3
229.15971	0.6
231.06549	1.5
237.05525	2.4
237.16403	0.6
243.06453	1.0
245.08148	3.1
255.06544	32.9
255.17413	1.1
256.06873	0.8
258.05228	2.9
273.07587	79.7
273.18427	4.4
273.22583	0.8
273.25745	8.9
274.07895	1.1
274.13965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0807
Annotation	Sebastianine A
Peak:m/z	Relative Intensity
51.50765	0.6
54.08303	0.6
56.96568	11.3
58.06601	1.6
59.17963	0.5
61.02938	0.6
63.67631	0.5
68.21558	0.5
69.03432	1.0
70.06582	0.8
70.35866	0.7
70.36222	1.3
70.98131	3.4
71.95273	1.7
73.02952	0.8
76.73912	0.5
78.52323	0.5
79.05492	0.9
80.05048	0.7
81.05810	3.5
84.96046	2.0
85.02940	1.2
88.99179	0.6
92.05020	1.2
96.08134	100.0
97.02924	1.2
97.07642	0.6
97.08463	0.8
98.09702	3.9
98.97587	54.0
102.09182	4.1
110.06080	3.2
112.99162	2.2
116.98622	16.6
124.07651	0.8
128.10722	90.2
131.00208	1.2
134.99669	2.4
154.03957	1.1
156.10229	1.3
161.01318	0.6
163.04410	1.1
169.04385	2.4
178.04926	4.1
194.04955	1.0
198.04404	0.8
212.06030	1.3
217.03781	0.5
230.07050	2.0
240.05447	4.2
248.08096	2.1
258.06558	1.7
272.08069	68.1
272.16135	1.5
273.08768	0.7
290.09116	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	272.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01873	1.3
55.05510	0.6
56.05022	0.9
56.96292	1.1
56.96568	21.4
57.03445	3.1
58.06604	33.6
61.02926	2.9
68.05029	0.6
69.03442	4.9
69.07072	0.6
70.06596	2.0
70.98124	0.8
71.04983	1.5
71.06138	1.1
71.13579	0.6
71.95255	1.8
72.08161	6.5
72.81695	0.5
72.96011	0.7
73.02917	2.9
81.03419	3.2
82.06583	0.5
83.04986	1.1
83.12643	0.5
84.08141	2.3
84.96033	1.7
85.02429	0.6
85.02912	7.1
87.04482	0.6
90.04625	0.5
96.08141	9.5
97.02361	0.8
97.02903	5.6
97.07665	1.4
97.96803	0.9
98.09693	1.3
98.97589	62.2
99.04462	0.9
100.99123	0.8
101.00794	0.6
102.05537	1.2
102.09187	6.8
109.02885	2.0
110.01257	0.9
110.06079	0.8
110.09666	0.8
110.97570	6.4
112.00716	0.5
112.07624	1.0
112.11239	0.8
112.76994	0.5
112.99142	3.0
114.09158	1.2
115.00698	1.7
115.03935	0.9
116.07077	1.2
116.98634	18.5
119.01820	2.5
124.99140	0.9
126.02203	0.6
126.09119	0.5
126.97044	0.6
127.00677	1.5
127.03892	2.3
128.02286	0.5
128.10730	11.4
128.98608	3.6
129.02214	0.8
130.01810	0.8
130.08626	0.9
131.00191	2.7
131.01816	0.8
133.03439	0.7
134.99658	1.7
139.00650	0.6
140.02374	0.7
140.03424	2.7
140.98601	0.8
141.02222	4.5
142.01743	1.3
142.99034	0.7
143.00180	2.0
143.01884	1.2
143.03824	2.5
144.03349	1.1
144.98083	0.5
145.01753	1.6
145.04961	0.7
146.02350	0.9
146.99651	1.9
149.01295	0.6
156.10202	5.4
157.01660	0.8
158.01279	1.9
158.04913	2.0
158.11823	0.7
158.99672	2.7
159.03326	2.9
160.02863	4.5
161.01244	1.2
161.04810	2.1
167.00183	0.6
169.04430	2.4
170.05165	0.7
170.99677	1.9
172.02820	2.4
173.01207	2.4
173.02632	0.6
174.11317	1.1
174.55267	1.1
175.02802	1.2
175.04391	1.4
176.06004	0.7
177.00787	1.0
178.03632	0.8
178.05031	5.2
182.03372	2.9
182.04881	0.6
182.06920	0.8
184.04924	2.3
185.01241	3.2
186.07983	1.4
187.02765	0.7
189.00737	1.0
190.03909	1.2
191.02306	1.0
191.03903	3.0
191.05544	0.9
193.03712	0.7
200.02351	6.3
200.04099	1.0
200.05981	0.8
201.00699	1.2
203.02397	2.9
203.04012	0.9
204.09096	1.0
207.01732	0.7
207.05132	0.9
212.05991	2.4
213.13077	0.7
217.03775	0.6
218.03343	3.0
219.01791	2.0
230.07010	8.6
235.04921	0.6
237.02913	1.0
242.05740	0.6
248.08060	6.5
248.99231	0.7
249.02823	0.7
251.04419	0.9
261.02921	1.1
269.05515	1.2
272.08078	100.0
272.16580	4.4
273.08618	0.7
273.18097	2.9
290.09125	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	271.94
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29374	0.2
54.98635	0.4
56.96568	20.4
69.40736	0.6
69.41142	1.2
71.94865	0.5
71.95264	5.6
72.85598	0.2
96.08138	0.5
98.21473	0.5
98.97587	100.0
99.97928	0.9
109.90702	0.2
112.99134	1.1
116.98626	76.2
117.98958	0.7
119.01906	0.5
128.10736	0.4
130.93311	1.1
131.00182	1.3
134.99663	38.3
136.00064	0.6
140.00183	2.3
143.00206	0.4
149.01233	0.8
153.00716	4.6
158.01263	1.5
161.01247	1.0
161.03207	0.2
172.94391	1.4
174.97638	0.6
177.00900	0.8
178.01164	0.6
179.00731	0.4
179.02258	0.4
190.95387	1.6
194.91266	0.4
205.92987	0.5
207.01778	1.3
208.88400	0.3
208.96431	0.4
210.88969	0.5
212.92361	0.7
213.92416	0.3
214.92104	0.3
219.01993	0.6
220.02144	0.8
221.01730	0.4
223.26837	0.3
225.02669	0.3
228.90083	0.5
230.93285	0.2
231.01820	0.7
232.96458	1.5
237.92247	0.3
241.96973	0.3
244.02132	0.3
246.91234	0.7
247.93971	1.9
248.08119	0.4
248.94109	0.3
249.03049	1.8
250.97639	0.5
252.90131	0.3
254.93317	1.2
255.93230	0.3
256.93088	0.4
256.96692	0.4
257.46616	1.2
257.96677	0.8
258.99860	0.5
260.99777	0.3
261.03079	1.2
262.03101	2.2
263.02887	1.5
265.95065	2.0
266.47110	1.3
266.96994	0.7
267.03445	0.3
270.91125	1.4
271.91190	0.5
271.93958	3.7
272.08270	0.4
272.94342	2.9
273.94495	1.3
274.94305	0.6
274.97577	1.0
275.97845	0.7
276.97672	0.5
277.00818	0.5
277.97913	0.4
280.56335	0.4
283.00040	0.7
288.92178	3.4
289.95065	33.5
290.95386	1.3
291.95306	0.4
292.95374	0.5
292.98489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
54.16898	1.2
55.05522	10.4
57.07061	4.0
58.11950	1.3
65.03931	2.3
67.05508	13.6
69.06721	1.6
69.07073	24.4
71.06781	3.1
71.08621	2.7
74.70464	1.2
79.05501	6.9
81.06581	2.3
81.07061	47.0
83.08627	9.1
85.27880	1.2
91.05479	12.7
93.03397	1.3
93.07053	16.6
95.04954	1.9
95.08611	45.8
97.10168	2.7
103.05460	3.5
105.07037	24.3
107.04943	1.6
107.08604	24.9
109.06493	1.3
109.10161	21.3
111.04375	1.4
111.11736	1.6
117.06995	4.4
119.04978	1.9
119.08594	27.7
121.02885	1.8
121.06479	1.8
121.10150	22.5
123.11728	11.6
129.06944	1.2
131.04930	3.0
131.08546	7.9
133.06607	1.4
133.10144	16.5
135.04391	2.7
135.11723	10.7
137.05981	4.1
137.13251	4.3
143.08652	1.9
144.09370	2.3
145.06541	1.4
145.10146	16.4
147.04428	3.1
147.08087	1.3
147.11700	22.0
149.02341	4.3
149.13249	9.4
151.03876	3.7
153.01839	3.0
159.11694	18.8
160.12456	4.5
161.13261	27.9
162.68779	1.2
163.03860	1.6
163.14795	8.0
166.72922	1.3
167.02359	1.3
167.03453	12.6
168.03755	1.9
169.03918	2.3
171.11681	1.8
173.13258	15.4
174.14030	1.6
175.14848	13.1
177.16400	5.6
183.11649	1.7
187.14827	12.2
189.16417	6.5
191.17992	1.8
201.16385	9.8
203.17947	1.5
213.16257	2.1
215.17982	16.9
225.16325	1.2
228.18712	2.5
229.19511	4.6
243.20891	1.3
243.44861	1.4
253.08531	3.6
271.06015	25.1
271.09586	17.0
271.13248	6.0
271.16931	2.6
271.20856	4.4
271.24216	100.0
272.24615	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	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.20356	0.8
51.16867	1.0
53.03941	1.1
55.05516	4.9
57.07052	1.7
60.70285	0.9
67.05507	12.3
69.07069	11.2
69.84449	2.6
69.84859	2.0
76.27390	0.8
79.05496	8.0
81.07059	26.7
83.08611	3.7
91.05492	11.5
93.07049	17.2
95.04968	1.7
95.08610	28.3
97.10155	1.3
105.07034	19.2
107.08599	19.6
109.10164	19.8
117.07030	2.8
119.08585	17.8
121.02846	1.8
121.10146	12.9
123.11713	10.8
131.04962	1.4
131.08585	8.4
133.10130	15.9
135.11687	11.9
137.05991	2.6
137.13271	2.5
145.10120	14.8
147.11693	14.6
149.13257	10.4
151.03938	2.1
153.01903	1.0
159.11697	12.0
161.13269	15.5
163.14832	9.9
167.03378	2.8
173.13277	7.0
175.14836	14.5
177.16364	3.3
183.11592	1.0
187.14810	9.7
189.16415	9.2
201.16376	13.1
203.18034	1.1
213.16370	1.5
215.06876	1.0
215.17953	13.2
229.19542	2.8
243.21043	1.4
253.08586	1.5
271.06012	11.8
271.09561	6.4
271.24213	100.0
272.24545	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	271.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05515	7.6
56.86019	0.8
57.07071	3.0
65.03933	3.9
67.05508	17.0
69.07072	16.6
70.13215	3.6
71.08607	0.9
77.03938	1.1
79.05502	8.7
81.07062	34.6
83.01341	1.3
83.04930	1.0
83.08607	6.6
85.05301	0.9
91.05485	100.0
92.05806	2.0
93.07045	18.4
95.04977	2.2
95.08614	37.3
97.10158	3.1
103.05449	3.8
105.07034	25.6
107.04928	3.7
107.08600	25.2
109.06544	1.1
109.09448	1.7
109.10162	25.6
111.04459	1.9
111.11726	1.3
115.05483	1.3
116.06265	0.9
117.07009	3.4
119.04964	4.9
119.08587	27.7
121.02863	1.2
121.06510	5.5
121.10143	20.6
121.79532	1.0
123.04466	2.4
123.11719	16.5
129.06981	1.4
131.01305	1.3
131.04887	5.0
131.08569	10.0
133.06441	1.7
133.10143	18.4
135.04424	2.5
135.08046	3.1
135.11697	12.1
137.02286	1.0
137.05986	6.9
137.13231	2.8
143.08542	1.8
144.09334	1.2
145.06532	1.2
145.10135	16.8
146.10936	1.2
147.04404	7.5
147.08051	7.2
147.11697	16.5
148.85895	1.0
149.02350	6.9
149.05875	1.0
149.13254	12.4
151.03899	11.4
151.07481	1.4
153.01846	2.9
155.08508	1.2
157.10165	2.0
158.10957	0.9
159.08058	2.4
159.11699	17.0
160.12459	1.1
161.13271	25.5
163.03848	2.1
163.07544	1.1
163.14822	11.1
165.05586	1.8
165.06964	3.0
167.03401	17.0
168.03690	1.3
169.10117	1.6
171.11723	2.0
173.06050	1.2
173.09689	1.5
173.13266	11.4
175.03900	6.0
175.13463	1.4
175.14841	14.9
177.05513	0.9
177.16455	4.3
178.07909	1.1
179.08563	4.6
181.06419	2.1
183.07988	1.0
183.11662	1.0
184.31139	1.0
185.13194	1.1
187.14839	9.6
189.16370	7.6
196.08914	1.1
197.09598	3.3
199.14777	1.4
201.16385	14.8
203.18013	1.9
207.08180	1.5
210.06819	2.2
211.07452	1.2
215.07037	1.2
215.17973	16.7
224.08327	2.2
225.09128	7.9
227.57465	1.3
229.19592	4.2
235.07521	3.1
238.58110	0.9
239.10687	1.9
240.11394	1.1
241.08620	1.9
243.06425	1.3
243.21124	1.6
247.58696	2.1
253.08614	53.3
256.10876	1.6
271.06018	22.5
271.09637	20.4
271.13303	29.1
271.16418	2.1
271.24216	99.4
272.24512	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69791	1.0
53.03944	2.5
55.05509	9.2
55.84021	1.1
57.07062	3.8
59.22446	1.2
60.41346	1.0
67.05508	10.8
68.99790	1.7
69.06731	1.3
69.07075	19.3
71.08635	1.9
71.58363	1.5
73.69633	1.1
79.05507	9.9
81.07063	40.9
83.08626	7.2
85.20069	1.2
91.05491	17.5
93.07047	25.2
95.04967	3.3
95.08615	33.4
97.10172	3.6
97.86613	1.3
103.05486	2.6
105.07037	23.1
107.04930	4.6
107.08605	22.6
109.06552	1.7
109.10169	20.4
111.04369	1.1
111.11717	1.5
117.07021	5.2
119.04938	2.8
119.07784	1.8
119.08588	23.9
121.06500	2.1
121.10144	23.2
123.04404	2.2
123.11707	12.0
129.06979	1.9
130.07872	1.4
131.04921	4.6
131.08574	10.8
133.10144	18.0
135.04417	1.6
135.11707	13.9
137.05995	8.9
137.13251	3.7
143.08545	2.0
144.09344	2.2
145.10130	21.6
147.04393	5.8
147.11696	21.7
149.05969	1.4
149.13255	11.4
151.03929	13.2
157.10130	3.1
158.10939	1.6
159.11699	23.4
161.13272	15.0
163.03964	2.3
163.14854	9.7
165.05470	2.7
167.03450	7.9
171.11667	2.0
172.12527	1.1
173.13284	13.6
175.14842	10.1
177.16391	6.0
184.43628	1.2
185.13316	1.9
187.07486	1.3
187.14815	12.4
189.16342	7.4
197.06169	1.4
200.66425	1.2
201.16406	12.7
203.17958	2.5
213.05348	1.4
213.16466	2.3
215.17996	18.0
216.18681	1.3
225.09097	4.0
228.18747	1.6
229.19516	6.2
243.20947	1.7
247.58606	1.8
248.08859	1.8
253.08621	4.4
271.06018	30.1
271.09589	20.2
271.12747	2.0
271.16751	2.7
271.21201	3.3
271.24219	100.0
272.24527	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
54.53991	1.2
55.05521	6.9
57.07067	2.5
67.05509	13.3
69.07071	17.4
69.55891	7.7
69.71241	1.1
79.05506	5.4
81.07064	23.1
83.08626	7.4
91.05048	1.1
91.05494	13.5
93.07047	13.1
95.08611	29.1
97.10168	3.8
97.27602	1.0
97.68026	1.2
102.70720	1.0
103.05471	2.2
105.07030	18.7
107.08607	19.5
109.09445	2.0
109.10162	25.2
117.07013	3.6
119.08588	25.4
121.02855	1.7
121.06521	1.0
121.10161	17.1
122.01454	1.3
123.11722	14.2
126.09117	1.2
131.04947	4.3
131.08560	9.6
133.10147	16.0
135.11705	11.9
137.05981	4.5
137.13284	2.3
144.09395	1.9
145.10144	14.4
147.11693	15.1
149.13261	14.6
151.03944	1.7
153.01802	1.3
157.10114	1.8
159.11728	17.5
161.13269	18.4
163.14830	9.4
166.02191	2.3
167.02304	3.7
167.03606	5.1
171.11755	1.3
173.13258	13.0
173.53117	1.2
175.14821	11.9
177.16350	2.5
180.55762	1.1
184.03256	1.3
185.03383	1.2
185.13264	1.6
187.14813	11.6
189.16356	6.0
193.05023	1.3
201.16389	14.3
203.18013	2.9
215.17953	18.1
215.28937	1.1
225.09209	1.3
229.19493	3.4
253.08557	3.2
271.06006	14.4
271.09473	11.9
271.24225	100.0
272.24426	1.5
275.75644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01873	1.2
55.05508	1.4
56.96328	0.4
56.96567	4.7
57.03429	1.8
57.07067	1.0
57.62905	0.4
58.06601	2.5
59.04972	0.4
60.08178	2.6
61.02906	1.3
63.45547	0.4
67.05508	2.9
68.05019	0.4
69.03437	2.2
69.07059	1.7
70.06606	2.0
71.05003	4.2
71.56967	0.4
71.57367	0.6
72.04525	0.6
72.08166	0.6
73.02905	1.7
81.03415	0.9
81.07064	0.5
82.02956	0.5
82.06573	1.4
83.04977	2.6
84.04461	0.4
84.08144	5.2
84.96027	0.7
85.02901	3.1
85.06548	8.7
87.04462	0.4
91.05457	0.4
94.06558	1.1
95.04960	1.5
96.04471	1.4
96.08136	0.8
97.02905	2.2
98.06065	0.6
98.09657	0.6
98.97585	7.0
99.04460	4.2
99.08086	0.7
100.07623	10.1
101.06007	0.8
101.40985	0.4
105.07024	0.6
108.08154	0.4
109.02869	0.7
110.06046	2.1
110.07180	1.6
110.97562	1.4
111.08068	1.1
112.07610	7.5
112.99133	1.0
113.06013	13.0
113.09641	2.1
116.98629	1.9
119.01844	0.8
122.02380	0.6
124.03978	2.4
124.07584	0.9
124.99158	0.5
125.05972	1.9
126.09145	0.8
127.03899	1.0
128.10718	2.4
128.98560	0.6
130.08633	1.2
130.67917	0.4
134.99661	0.4
137.05949	1.0
138.09181	0.4
139.05038	2.4
140.03438	3.0
140.10757	0.6
140.98602	0.5
143.00166	0.6
145.01689	0.4
145.05006	0.6
146.99612	0.5
148.03848	0.7
148.11189	0.8
149.09621	0.5
152.10712	6.7
156.03319	0.7
156.07704	0.5
158.99634	1.6
161.04709	0.7
166.08598	0.8
166.12286	21.1
167.06979	0.4
167.10709	0.8
174.04295	0.5
174.55254	0.7
175.04358	0.7
177.00664	0.5
184.04893	0.9
186.04391	1.5
187.02878	0.5
190.04901	1.1
191.03963	0.6
191.05637	0.5
194.11775	8.8
199.05463	0.5
201.00746	0.4
204.05411	0.4
205.05576	0.4
212.09285	3.0
212.12819	100.0
213.13167	0.5
219.01773	1.3
226.10722	0.6
233.32579	0.5
237.02898	0.5
271.06155	1.2
271.16541	15.2
271.20151	14.4
271.23120	0.5
272.08041	0.9
272.16190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01863	3.3
55.05516	7.9
56.96558	1.8
62.18311	1.1
62.62470	1.2
65.03929	1.7
67.05517	9.3
69.03432	2.6
69.07064	7.8
70.06557	3.2
71.04996	2.9
71.57590	1.9
79.05504	10.3
81.03416	1.6
81.07065	20.6
83.04983	7.8
83.08631	6.2
85.06521	3.6
91.05491	13.7
92.05865	1.3
93.06544	1.8
93.07056	22.4
95.04978	7.4
95.08063	1.4
95.08619	15.0
97.06538	12.8
98.97571	5.5
99.04447	4.8
105.07040	18.4
107.04953	3.8
107.08591	11.9
109.02869	2.5
109.06524	14.0
109.10141	5.1
111.04470	1.4
111.08076	3.7
112.07576	2.0
113.05970	2.9
115.05497	1.3
116.07092	2.7
118.39758	1.3
119.04968	1.8
119.08577	11.2
121.02875	8.5
121.06512	31.6
121.10126	4.1
123.04413	2.2
123.08072	2.9
123.11724	1.8
125.05962	6.4
127.03912	1.6
127.07521	3.0
129.07028	2.2
131.08566	4.6
133.10114	8.7
135.04375	2.2
135.08076	4.3
135.11662	2.1
137.02397	8.0
137.05980	5.2
139.07535	9.7
140.36189	1.3
143.07062	5.2
143.08514	5.9
145.10103	5.5
147.08041	1.5
147.11699	18.5
149.02339	4.9
149.13158	2.1
153.01871	2.5
153.07019	2.1
155.08560	1.7
157.08623	5.3
157.10110	7.3
159.07941	1.3
159.11650	1.8
161.05968	1.6
161.13269	6.8
163.14865	2.0
165.06996	3.7
165.12758	6.5
169.06522	2.4
171.11678	5.3
173.09665	1.7
173.13272	4.2
175.11189	11.1
181.10159	2.4
183.08087	1.8
184.78731	1.5
189.12724	8.7
193.12250	8.6
197.06041	4.3
199.11142	11.2
207.13765	6.8
211.07509	2.4
211.13300	5.4
215.07040	3.6
217.12231	34.4
225.05391	1.7
225.16331	1.4
235.13313	21.7
243.06572	2.5
249.02895	1.6
253.14377	13.1
271.06027	100.0
271.09641	4.2
271.16849	4.3
271.24185	4.0
272.06430	2.4
287.51956	1.2
292.96234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01874	5.5
55.05526	1.3
56.96563	1.4
57.03433	3.5
65.03941	3.9
67.05511	2.2
68.99799	1.4
69.03442	1.8
69.07073	1.0
70.06602	3.2
71.04994	0.7
71.55222	0.5
72.08154	2.9
73.02921	31.7
75.04503	2.3
79.05511	2.3
81.03432	1.5
81.07076	1.7
83.04993	0.9
84.04522	0.6
84.08166	1.4
85.02905	0.9
85.06542	0.8
86.09730	0.8
91.03963	0.8
91.05483	6.3
93.03413	3.1
93.07059	1.0
95.01370	0.7
95.04975	2.5
95.08620	1.1
97.02912	1.7
97.06554	0.9
98.97601	1.5
99.04479	1.1
101.52133	0.5
103.05453	4.2
105.07037	1.3
107.04971	4.2
107.08599	0.5
107.65801	0.5
108.02100	1.1
109.02896	1.5
109.06537	1.2
110.03676	6.7
110.07182	0.6
111.00827	0.6
111.04448	5.9
112.07616	1.2
115.05449	0.8
116.07131	1.5
116.98666	0.7
119.04948	4.7
121.02876	3.7
121.06512	1.2
122.03673	1.3
123.04456	2.1
123.05563	1.4
125.05999	39.5
127.03908	1.1
129.05447	0.6
129.06947	0.8
130.06551	1.3
131.04918	3.4
133.06561	0.6
135.04385	0.6
135.08072	1.2
137.02353	1.1
137.05989	7.0
139.07545	0.5
141.05482	2.2
141.06967	2.6
143.00198	0.5
145.02887	0.8
145.10121	0.7
147.04427	4.9
147.06540	4.0
147.08017	0.9
149.02354	18.2
149.05989	3.8
151.03917	100.0
151.05016	7.6
151.07480	4.9
151.99086	0.4
152.06186	0.6
153.01849	5.4
153.05489	0.6
153.07004	1.3
155.08598	0.5
157.07600	3.1
158.99591	0.6
159.04454	1.1
163.07584	3.1
164.04616	0.5
165.06999	2.1
167.03500	0.9
167.07115	0.7
169.06470	3.4
173.05966	1.0
175.08714	0.6
177.05482	0.5
179.07040	22.2
180.45894	0.4
181.06516	1.1
181.08640	1.4
183.08051	0.9
187.07516	1.0
197.06039	3.4
197.08096	20.7
197.80873	0.4
198.06726	0.5
199.09605	1.3
203.08316	0.8
211.07526	1.8
213.05452	0.6
215.07056	21.6
221.05711	0.5
222.08842	0.5
223.09615	0.6
225.05409	1.1
225.07544	4.1
229.05052	0.4
229.09648	0.7
235.13301	0.5
239.07043	1.0
243.06548	15.1
243.11592	0.8
243.51201	0.5
253.04948	1.6
253.10689	3.8
271.06018	26.3
271.11954	19.7
271.16730	1.3
271.19925	0.4
271.26193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	3-Hydroxy-5-methoxystilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
53.03959	0.6
56.96574	0.7
64.56512	0.5
65.03958	1.4
69.60518	3.7
76.72578	0.5
79.05479	0.7
81.07073	1.0
91.05483	10.8
95.04974	6.6
95.08635	0.7
96.35751	0.6
98.21400	0.7
103.05475	5.0
105.03419	1.3
105.07047	0.6
107.04959	29.3
107.08560	0.5
108.02097	0.7
109.06497	1.9
109.10128	0.7
115.05453	0.8
119.04928	0.7
121.06522	0.7
123.04436	2.2
135.04430	0.9
137.04997	0.8
137.05994	12.2
141.07024	2.0
147.04468	0.7
151.03911	79.3
152.06226	1.6
153.07030	1.7
154.07777	7.7
155.08606	0.8
159.08012	0.8
161.06004	1.2
163.03928	1.1
165.05511	2.5
165.06985	17.9
166.07791	8.3
167.03426	0.9
167.08540	4.7
168.05733	0.5
169.10181	1.8
177.05519	0.7
177.06960	0.9
178.07790	1.3
179.08556	0.9
181.06366	3.0
182.07278	14.2
183.08002	1.1
188.67400	0.5
193.07642	1.3
194.07278	1.9
195.08078	1.2
196.08890	0.8
197.09625	100.0
198.10030	1.2
210.06763	5.1
213.10208	0.6
224.08368	1.0
225.09113	65.6
226.07166	0.5
226.09447	1.2
241.09702	1.8
243.10272	0.9
243.77104	0.6
251.33366	0.6
253.08620	12.2
267.59128	0.7
271.06024	12.7
271.09647	13.9
271.12790	0.8
271.16815	0.9
281.40530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	(-)-Medicarpin
Peak:m/z	Relative Intensity
53.03941	0.9
65.03951	0.3
66.04713	0.3
67.05494	0.7
70.74587	0.6
70.74949	0.2
77.51046	0.2
79.05491	4.8
81.01039	0.2
81.07059	2.5
91.05488	0.8
94.04208	1.5
95.04961	1.3
105.03378	0.5
105.04513	0.2
107.04955	1.1
109.06524	10.9
118.04221	0.3
119.04928	0.7
121.06520	1.1
123.04436	9.5
125.05966	0.3
131.04918	0.4
133.06491	0.6
135.04381	0.6
137.05981	100.0
138.06331	0.6
146.03619	0.3
147.04420	4.5
147.05522	0.4
148.05196	0.3
149.05969	1.3
161.05984	8.5
162.06834	0.4
163.03880	1.7
177.05507	0.8
201.09175	0.3
201.47292	0.2
203.07045	0.2
211.07553	0.3
211.15565	0.2
239.07158	0.2
243.10158	1.5
256.07101	0.2
259.03342	0.2
271.06076	1.6
271.09665	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	3-Hydroxy-5-methoxystilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
55.01859	0.3
65.03944	2.3
65.37378	0.3
66.78760	0.3
67.05521	0.5
69.07043	0.6
71.57726	0.3
71.58102	0.3
77.19362	0.2
77.66260	0.3
79.05527	0.3
80.41947	0.3
81.07061	0.7
83.01349	1.1
91.05486	100.0
92.05817	1.1
93.07068	0.5
95.04985	0.5
95.08620	1.4
103.05460	0.4
105.03387	0.6
105.07040	0.9
107.04955	1.0
107.08598	0.5
109.10126	0.3
111.76261	0.2
117.06966	0.4
119.04944	0.9
119.08595	0.6
121.02857	0.8
121.06566	0.5
121.10150	0.5
123.04431	0.3
123.11693	0.4
129.06996	0.4
131.04948	0.5
131.08604	0.4
133.10130	0.5
137.06023	0.9
141.06995	0.8
143.08598	0.9
145.10129	0.3
147.04453	1.6
149.02367	0.8
151.03909	2.1
153.01794	0.6
153.07005	0.7
155.08585	0.5
157.06543	0.6
157.10080	0.4
165.07002	0.5
167.03400	1.2
167.08583	0.5
169.10146	0.5
171.08060	0.5
173.13187	0.5
175.03920	8.0
178.07762	1.5
179.08553	3.9
181.06479	0.6
182.07268	0.6
183.08098	0.7
195.08078	0.3
197.05859	0.3
197.09657	1.5
199.07564	1.3
201.16411	0.3
207.08011	1.9
210.06834	1.2
211.07588	0.9
213.16438	0.4
215.17885	0.4
223.07646	0.4
225.09135	4.6
235.07559	3.5
251.06984	0.3
253.08615	63.8
254.08958	1.7
271.06046	4.8
271.09659	4.8
271.13043	0.7
271.16754	0.4
271.20694	0.5
271.24173	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
51.36838	0.4
53.03945	0.7
55.05527	0.5
67.01872	4.0
68.99791	0.6
69.54815	2.5
77.03923	0.6
79.05483	2.3
81.03394	0.7
83.04972	0.4
84.53912	0.4
85.94668	0.4
91.05502	2.0
99.04465	1.4
103.05475	29.3
105.03387	0.9
107.04959	2.3
109.06528	0.5
111.04447	3.3
118.21526	0.5
131.04938	55.1
132.05220	0.8
137.05992	2.7
152.01047	0.7
160.11385	0.4
165.05472	2.9
165.06815	0.6
167.03409	92.4
173.06003	4.1
185.04474	1.2
193.04947	0.5
203.04337	0.6
211.82999	0.4
212.05078	0.6
213.05455	0.4
223.38641	0.4
225.09189	0.7
227.07291	0.9
229.08563	0.9
243.07195	0.4
243.63383	0.4
244.30554	0.4
247.58713	2.1
248.08789	0.8
253.08766	0.6
271.09662	100.0
272.09946	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	3-Hydroxy-5-methoxystilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
52.86670	0.4
53.03939	0.4
55.01877	0.9
55.05521	0.5
56.01664	0.4
56.96569	0.4
65.03951	2.1
67.05497	1.4
68.99780	0.5
69.03435	0.5
69.07071	0.9
71.58004	0.4
71.58403	0.4
79.05490	1.2
81.07068	1.8
83.01338	0.8
83.08596	0.4
84.57742	0.3
91.05485	100.0
92.05818	1.0
93.07052	1.2
95.04980	0.8
95.08615	1.6
97.10154	0.5
105.03407	0.6
105.07063	2.2
107.04932	0.7
107.08594	1.2
109.06528	0.9
109.10172	0.8
116.74895	0.4
117.06981	0.8
119.04967	1.2
119.08611	1.5
121.02871	8.0
121.06532	0.8
121.10162	1.0
123.04445	0.4
123.11712	0.6
128.06200	0.6
129.07019	0.6
131.04950	0.5
131.08603	1.1
133.10136	1.1
135.11713	0.8
137.02278	0.7
137.05978	6.2
141.07021	1.6
143.08553	1.3
145.10138	1.5
147.04436	2.0
147.11755	0.4
149.02359	1.8
151.03922	8.0
153.01817	0.8
154.07777	0.5
155.08569	1.2
157.06450	1.0
157.10083	0.9
159.08070	0.7
159.11703	1.3
161.05994	0.8
161.13248	0.5
163.03874	0.7
167.02173	0.6
167.03481	1.8
167.08656	0.4
169.06467	0.6
169.10150	1.2
171.08070	0.6
171.11655	0.7
173.13260	1.0
175.03922	7.7
178.07780	1.2
179.08580	4.0
181.06490	0.5
182.07341	0.6
183.07983	0.7
183.11769	0.6
185.02763	0.5
185.13237	0.6
187.03934	0.6
189.03963	0.7
193.05038	0.6
195.04196	0.5
197.06096	0.5
197.09598	1.9
197.13367	0.5
199.07680	1.9
200.04944	1.3
201.09041	0.4
201.16434	0.6
202.59549	0.4
203.07095	0.6
203.54124	1.9
204.04529	1.1
207.08060	2.1
210.06754	1.3
211.07547	1.4
211.14865	0.6
211.55733	0.8
213.16328	0.6
213.53391	0.6
215.07018	0.9
215.55421	0.5
225.09145	4.0
233.05438	0.6
235.07463	3.5
238.06329	0.5
238.57433	0.5
239.07364	0.5
240.73929	0.5
243.06589	0.7
247.08160	0.4
247.57951	3.9
248.07986	0.9
248.59486	1.5
253.08614	63.0
254.08940	1.1
271.06024	12.1
271.09586	4.9
271.13269	1.4
271.16959	1.8
271.20609	2.3
271.24234	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	3-Hydroxy-5-methoxystilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
55.01858	2.0
57.07044	1.3
65.03936	1.7
67.05508	1.2
68.99803	8.3
69.07042	1.8
71.57716	1.2
71.58134	1.1
77.86887	1.0
79.05489	2.5
81.03440	1.3
81.07069	2.8
83.01340	2.0
85.10069	1.0
91.05489	22.7
95.04969	2.3
95.08611	3.1
103.05473	1.6
105.03395	3.9
105.07040	1.7
107.04961	62.8
107.08604	1.8
113.18298	1.2
115.05458	5.4
117.07012	3.4
119.04962	5.2
119.08528	1.3
121.02867	1.8
121.06516	4.3
121.10173	1.2
122.58627	1.2
123.04430	5.5
129.06978	1.4
131.04938	2.3
131.08597	1.4
133.10121	2.1
135.04445	3.3
137.05974	5.1
141.06999	5.1
142.07819	1.6
143.08636	1.4
147.04422	25.5
149.02354	3.0
151.03934	8.7
153.01859	2.6
153.07018	1.8
154.07787	1.6
155.08536	7.0
157.06522	1.4
157.10141	2.3
161.06029	1.4
165.01834	2.2
165.04128	2.5
165.05507	38.6
165.06973	3.2
166.02171	3.5
166.07771	1.6
167.02304	4.3
167.03464	4.9
167.08566	5.1
169.06580	1.5
169.10211	2.9
177.05489	3.1
178.07773	6.9
179.08578	17.2
181.06616	2.2
182.07285	6.5
183.08089	2.9
185.03479	3.2
185.09616	1.5
186.31215	1.2
186.43817	1.3
189.07115	1.4
193.05067	1.6
194.07372	1.4
197.06044	2.0
197.09634	9.1
207.08051	11.0
210.06796	8.6
211.07567	3.5
215.07027	1.3
215.18063	1.4
225.09120	48.4
227.10699	4.4
235.07520	11.3
238.06282	2.3
240.11453	2.7
243.10242	2.6
248.40828	1.2
253.08621	100.0
254.09065	1.5
256.10849	1.4
263.50134	1.1
271.06046	30.8
271.09634	51.8
271.13199	5.4
271.16370	1.9
271.20804	1.8
271.24258	3.5
289.52283	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	3-Hydroxy-5-methoxystilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
53.03966	0.5
55.01876	1.1
55.05510	0.9
56.96565	1.6
65.03947	2.3
66.39916	0.4
67.05500	2.1
69.07085	1.2
71.57500	0.9
77.03945	0.5
79.05504	2.8
81.03419	0.7
81.07054	3.9
81.11553	0.5
83.01359	0.9
83.04955	0.4
83.08622	0.8
87.19004	0.5
91.05486	100.0
92.05841	0.8
93.07046	4.8
95.04980	1.6
95.08607	3.3
98.97601	0.7
105.03384	0.6
105.07028	3.2
107.05013	0.5
107.08620	2.6
109.06533	1.3
109.10163	2.2
117.07044	1.3
119.04938	1.9
119.08585	4.8
121.06533	0.8
121.10154	3.7
123.04449	0.6
123.11710	0.9
128.06252	0.7
129.07039	0.9
131.08601	2.0
133.10146	1.8
135.04430	5.6
135.08080	0.6
135.11722	0.6
137.06003	2.9
137.09557	0.7
138.09946	0.4
141.06985	1.8
143.08580	2.0
145.10167	2.8
147.04387	1.5
147.11732	1.1
149.02385	1.3
149.09657	0.8
149.13364	0.6
151.03896	4.6
153.01842	2.6
153.07045	1.0
154.07819	0.7
155.08571	1.3
156.09369	0.6
157.06503	1.0
157.10152	1.8
159.08168	0.5
159.11722	2.0
161.06035	0.8
161.13310	0.9
163.03912	18.2
163.14929	0.5
165.07014	1.5
166.02182	1.0
166.07758	0.6
167.02214	1.0
167.03445	1.4
167.08618	0.9
169.10170	1.3
171.11710	1.3
173.09700	0.7
173.13275	1.3
175.03934	7.8
178.07788	1.8
179.08592	3.7
182.07307	1.0
183.08093	1.5
183.11745	1.0
184.03204	0.9
185.03290	0.7
187.14848	1.1
189.00890	0.6
197.05949	1.1
197.09602	4.6
197.13268	1.3
199.07553	2.0
200.08350	0.8
201.16270	0.7
207.08064	2.3
210.06778	1.3
211.07585	2.1
211.14771	0.6
213.16386	2.3
215.07074	1.0
225.09119	5.3
228.07671	1.0
229.19493	0.6
235.07565	2.9
243.06601	0.7
243.10179	6.0
251.07292	0.5
253.08620	64.4
253.19598	1.4
254.08987	1.2
271.06030	26.6
271.09589	9.2
271.13193	1.4
271.16547	1.1
271.18561	5.2
271.20914	2.3
271.24268	2.3
272.06720	0.7
289.07068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	Isoliquiritigenin 4'-methyl ether
Peak:m/z	Relative Intensity
53.03951	1.1
53.06105	0.5
54.14857	0.4
55.01882	0.5
55.05513	0.8
56.96565	1.1
63.72133	0.4
65.03932	2.0
66.82292	0.5
67.05505	2.7
68.99789	0.5
69.07069	0.7
76.26363	0.4
77.03934	0.4
79.05486	2.0
79.52725	0.4
81.03413	1.7
81.07052	2.5
83.04978	0.6
91.04961	0.8
91.05489	12.1
93.07054	1.4
94.04194	0.7
95.04372	0.7
95.04975	13.9
95.08601	1.4
98.20737	0.8
103.05455	1.2
105.03403	0.5
105.07042	2.3
107.04963	4.6
107.08595	1.4
108.02058	1.2
109.06513	3.4
109.10145	1.2
111.04495	0.5
115.59455	0.5
117.06095	0.4
117.07007	1.1
119.04951	21.2
119.08570	1.3
121.02866	0.8
121.06528	3.4
121.10149	0.9
123.04437	5.3
123.11706	0.6
125.05986	0.8
128.06258	0.5
129.07011	0.7
131.04886	0.7
131.08574	1.3
133.02814	0.6
133.06512	2.7
133.10109	1.3
135.04431	1.9
135.11630	0.6
137.02347	14.8
137.05975	8.6
141.05472	0.5
141.06987	0.8
143.08559	0.7
145.10117	1.5
147.04416	45.5
147.11658	0.6
148.04753	0.5
149.02348	2.3
149.05939	1.1
151.03911	97.4
152.04225	1.2
153.01857	2.4
155.08672	0.8
157.10141	0.8
159.08083	0.6
159.11725	0.9
161.05995	5.5
163.03891	5.2
165.05495	4.4
165.07010	2.7
167.03406	2.6
169.04982	4.8
169.06395	0.7
169.10081	0.8
171.11659	0.5
173.13272	0.6
177.05521	2.9
181.06528	1.3
182.07268	2.1
183.07939	0.6
185.05925	0.8
193.04980	5.1
193.06494	1.0
194.07368	1.0
195.08102	0.6
197.05946	0.8
197.13179	0.6
210.06775	5.1
211.07597	1.5
211.14862	0.5
213.05373	0.5
215.07011	0.7
225.09114	15.9
227.07327	0.6
228.04248	0.5
229.08305	0.6
238.06355	0.8
239.07057	0.9
243.06534	0.6
243.10207	2.0
253.08650	5.3
256.07346	3.4
271.06104	19.6
271.09662	100.0
271.17023	1.7
271.20978	0.9
271.24124	2.2
272.06024	0.5
272.09937	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
50.10563	0.3
53.03945	0.3
55.01862	0.7
55.05505	0.6
56.20325	0.3
56.96558	0.3
60.32476	0.3
64.58918	0.3
65.03954	0.3
67.01854	0.6
67.05495	0.9
68.99813	1.4
69.03423	0.5
69.07063	0.7
71.04989	0.7
79.05488	1.1
81.03401	0.6
81.07065	1.4
83.04971	0.7
83.08628	0.3
86.25806	0.3
90.59988	0.3
91.05481	2.4
93.07045	0.9
95.04981	0.5
95.08598	1.2
97.02885	0.7
98.20739	0.6
98.97563	0.5
99.04481	0.5
103.05469	5.2
105.07030	0.8
107.04956	2.8
107.08601	0.7
109.10153	1.0
111.04447	0.9
119.04945	1.5
119.08583	1.1
121.02879	4.5
121.10117	0.8
123.04427	0.4
123.11647	0.5
124.01579	2.8
127.03918	0.5
131.04942	7.7
131.05923	0.5
131.08582	0.6
133.10143	0.5
137.02350	1.0
137.06000	1.7
139.03899	0.6
141.06995	0.6
142.07747	0.3
143.08586	0.4
145.02850	0.6
145.06471	0.3
145.10136	0.7
147.04459	0.4
147.11702	0.5
152.01068	3.9
153.01842	2.3
153.06950	0.4
155.08609	0.4
157.10118	0.4
159.08047	0.6
159.11682	0.9
163.03912	0.3
165.05640	0.3
165.07036	0.8
167.03410	100.0
167.81877	0.3
168.03748	0.7
169.06499	0.5
170.02142	2.5
183.08151	0.5
183.11702	0.4
197.06024	0.6
211.07561	0.5
211.14774	0.3
215.07030	0.6
225.05518	0.5
229.05228	0.4
229.08687	1.2
236.05528	0.3
239.07033	0.4
243.06619	0.7
243.09991	0.5
253.08554	0.8
256.03696	0.6
271.06073	26.5
271.09671	47.5
271.17181	1.0
271.24298	1.8
272.06693	0.3
272.10059	1.0
280.67090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
64.39321	0.1
65.03947	0.1
67.01866	1.7
67.05492	0.1
68.99792	1.1
69.03435	0.2
70.09386	0.3
77.35387	0.1
79.05479	0.1
81.03412	0.2
88.32523	0.1
91.04955	0.1
91.05482	1.6
92.50182	0.1
95.04936	0.1
97.02898	0.2
98.97580	0.2
107.08566	0.1
109.02858	0.1
111.00804	0.2
116.98588	0.1
117.07024	0.1
119.04948	5.2
120.05289	0.1
121.02872	1.6
121.06461	0.1
124.07584	0.1
125.02351	0.2
129.01840	0.2
131.04955	0.1
135.04393	0.3
137.02380	0.5
137.05962	0.1
141.06993	0.4
145.02846	1.7
145.06528	0.1
153.01831	11.8
154.02069	0.1
155.04936	0.1
157.06500	0.2
158.99678	0.1
161.02341	0.2
163.03905	1.0
169.06462	0.3
169.32291	0.1
171.02892	0.6
173.05977	0.1
185.05870	0.1
187.03964	0.3
197.05968	0.3
203.07057	0.3
205.08014	0.1
211.03987	0.1
214.08553	0.1
215.06989	0.1
225.05414	0.6
229.04980	0.5
243.06519	0.8
247.06097	0.2
253.05040	0.2
271.06006	100.0
272.06326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.88203	0.1
65.03944	0.2
67.01874	1.4
68.99793	0.9
71.01347	0.2
81.07081	0.1
84.96036	0.1
85.41640	0.1
90.25333	0.1
91.05491	1.7
98.97581	0.1
103.00330	0.1
111.00845	0.1
119.04954	4.9
121.02872	1.4
125.02374	0.1
129.01808	0.3
129.06833	0.1
131.04926	0.1
141.06958	0.2
145.02853	1.5
152.06152	0.1
153.01840	10.2
163.03918	0.8
169.06523	0.3
171.02937	0.5
173.05943	0.1
185.06120	0.1
187.03929	0.3
197.05968	0.3
203.07097	0.2
215.07108	0.1
225.05489	0.4
229.04904	0.5
243.06551	0.8
247.06126	0.1
253.05075	0.3
271.06027	100.0
272.06375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
57.07064	0.3
58.15786	0.2
65.03928	0.5
67.01871	1.9
67.05511	2.4
68.99794	1.7
69.03455	0.3
69.07069	1.5
69.29665	1.7
69.30069	0.4
79.05490	1.7
81.03419	0.4
81.07059	5.0
83.08602	0.6
85.06560	0.4
89.63445	0.2
91.05492	3.4
93.07045	2.4
95.08611	4.2
97.02886	0.5
97.10171	0.4
98.06052	1.6
98.21578	0.3
98.97579	1.0
102.21125	0.3
105.07030	3.3
107.08610	2.5
109.02879	0.3
109.10177	2.6
111.11707	0.3
117.07023	0.6
119.04952	5.1
119.08601	1.8
121.02866	2.2
121.10119	1.8
123.11703	1.5
127.03957	0.3
129.07042	0.4
131.08575	2.2
133.10150	2.5
135.11731	1.6
137.02260	0.3
137.05956	0.4
137.13249	0.3
141.06978	0.5
143.08533	0.3
145.02863	2.1
145.10138	2.2
147.11682	1.6
149.13266	1.4
153.01840	12.1
153.06973	0.3
155.08604	0.3
157.06433	0.3
159.11696	3.1
161.13274	1.7
163.03899	1.2
163.14812	0.8
165.06969	0.4
167.03433	0.3
169.06508	0.4
171.02881	1.1
171.11726	0.4
171.17378	0.3
173.13281	1.9
175.14799	1.9
177.16342	0.4
182.07471	0.4
183.08046	0.5
185.06004	0.3
187.03824	0.3
187.14854	1.4
189.16418	1.7
189.17856	0.3
197.05939	0.6
201.16328	1.3
207.04459	0.2
210.06662	0.2
211.07573	1.2
213.05531	0.3
215.07083	0.3
215.17961	1.6
225.05539	1.0
229.05038	0.5
229.19472	0.6
239.07048	0.6
243.06532	0.8
243.21121	0.3
247.06120	0.4
249.65292	0.3
253.05060	0.5
253.13283	0.3
253.87263	0.2
271.06024	100.0
271.24213	11.4
272.06372	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	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.35590	0.5
53.03940	1.0
55.01864	1.1
55.05502	1.1
56.96553	0.7
57.07067	0.7
63.47024	0.4
65.03956	0.8
67.05492	2.6
68.99796	1.2
69.03418	1.7
69.07072	2.3
69.35352	1.3
69.35778	2.7
71.04974	0.4
79.05495	2.7
81.03428	3.7
81.07068	4.9
83.08613	0.9
85.02888	0.6
89.03922	1.7
91.05483	3.2
93.07048	3.2
95.04964	1.1
95.08617	4.5
97.02889	0.7
97.10185	0.5
97.65989	0.4
98.21577	0.6
98.97591	3.0
99.04452	1.0
105.03388	2.8
105.07024	4.2
107.04945	1.4
107.08582	3.2
109.02914	2.1
109.06514	1.1
109.10171	3.0
110.97585	0.5
115.05438	1.1
116.98595	0.6
117.03358	0.7
117.07039	1.2
119.04934	1.0
119.08585	3.6
121.02838	0.8
121.06553	1.5
121.10181	2.9
121.76635	0.4
123.11711	1.8
127.03875	2.1
127.05531	0.4
128.06204	0.8
129.07008	1.1
131.04948	0.5
131.08539	3.2
133.06505	0.5
133.10136	2.7
135.04388	1.1
135.11665	1.3
137.02344	29.2
137.05971	1.4
141.07010	4.7
145.06459	1.0
145.10150	3.2
147.04404	1.2
147.11655	2.2
149.02409	1.2
149.13301	1.4
151.03903	0.5
152.06232	1.1
153.01825	1.4
153.06998	1.7
155.04913	0.8
157.06529	0.6
157.10106	0.9
158.99687	0.8
159.08086	1.6
159.11670	3.5
161.02376	3.2
161.13257	1.6
163.03925	0.7
163.14790	1.1
165.06993	1.8
167.03374	0.5
168.05679	0.6
169.06464	5.7
169.07782	0.5
169.10165	0.5
173.01302	0.6
173.05998	1.2
173.13191	2.5
175.03943	0.9
175.14798	2.0
177.16379	0.5
181.06422	2.5
183.08081	1.4
185.05873	0.5
187.03305	0.6
187.07571	2.4
187.11249	0.6
187.13336	0.4
187.14873	1.6
188.52721	0.6
189.16428	1.1
197.05984	10.7
198.06656	0.5
200.04684	1.0
201.05507	2.5
201.16460	1.3
202.37003	0.5
211.07510	1.6
213.16426	0.6
215.07036	12.6
215.17896	2.0
224.04530	0.5
225.05469	14.9
239.07066	0.4
243.06638	3.2
243.10155	0.8
253.04974	4.7
255.05342	0.5
256.06641	0.6
271.06033	100.0
271.08975	6.2
271.20993	0.6
271.24197	10.9
272.06348	1.3
284.06802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.44625	0.1
52.77926	0.1
65.03934	0.2
67.01871	1.8
68.43840	0.1
68.99789	1.1
70.39542	0.3
81.03417	0.1
91.05481	1.6
96.18768	0.1
97.02911	0.1
111.00812	0.2
119.04951	5.2
121.02872	1.8
125.02326	0.1
129.01848	0.2
131.04895	0.2
137.02335	0.4
137.05923	0.1
139.13600	0.1
141.06972	0.3
145.02863	1.5
149.02321	0.1
153.01839	11.1
163.03943	0.9
169.06473	0.3
171.02901	0.7
187.03944	0.4
197.06018	0.4
203.07019	0.3
225.05493	0.5
229.05017	0.5
243.06551	0.8
247.06097	0.2
253.04926	0.2
254.05621	0.1
271.06021	100.0
272.06357	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Pelargonidin
Peak:m/z	Relative Intensity
53.03931	0.3
55.05464	0.2
60.89723	0.2
65.03943	1.0
67.05508	0.4
68.99787	0.5
69.03421	0.2
69.07049	0.2
69.58406	0.8
69.58812	0.3
70.06587	0.3
71.04987	0.2
78.53838	0.2
79.05480	0.8
81.03395	0.6
81.07050	0.5
85.06551	0.2
91.05476	0.5
93.07052	0.3
95.04951	0.2
95.08612	0.4
95.55328	0.2
98.21474	0.4
105.03398	1.1
105.07029	0.2
107.04973	1.5
111.04424	0.7
112.47508	0.2
115.05450	0.3
117.06998	0.2
119.04942	0.3
119.08581	0.3
121.02876	10.4
121.03906	0.5
127.03942	0.2
131.04968	0.3
131.08623	0.4
133.02873	1.2
133.10115	0.3
135.04356	0.3
137.02347	10.9
137.05954	0.4
138.02646	0.4
141.07013	1.3
145.06483	0.4
147.04420	0.6
147.08044	0.3
149.02350	3.9
149.13240	0.2
152.06213	0.3
153.01852	0.4
153.06970	0.4
155.03432	0.3
156.22589	0.2
157.06499	0.2
157.07632	0.4
159.08058	0.2
161.02267	0.3
165.07048	0.4
166.51416	0.2
167.03407	0.7
169.06453	1.5
169.07669	0.2
173.06030	0.4
173.13213	0.2
175.11218	0.2
181.06496	0.4
187.07510	0.6
197.05997	5.4
200.04698	0.2
211.07617	0.3
213.05434	0.4
214.05879	0.5
214.49438	0.2
215.07047	2.4
225.05408	1.2
227.06882	0.3
242.05731	1.5
243.06418	1.2
253.05011	0.7
253.08672	0.2
270.04803	0.4
271.06021	100.0
272.06339	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	271.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
54.79961	0.2
61.46770	0.2
63.18978	0.2
65.03934	0.8
67.01846	0.3
68.99796	0.8
69.03452	0.2
70.06598	1.9
71.57883	0.3
79.05484	0.4
81.03406	0.8
86.09699	0.2
91.05476	1.3
95.04964	0.4
105.03382	1.1
107.04964	1.0
109.02863	0.3
110.07322	0.2
110.11945	0.2
111.04453	0.8
112.07610	1.0
116.07120	1.1
119.04955	0.6
121.02876	9.2
121.03861	0.4
121.04060	0.4
129.07034	0.2
131.04956	0.4
131.08568	0.3
133.02875	0.9
135.04405	0.2
137.02345	9.0
137.03403	0.4
137.05991	0.9
140.07076	0.7
141.06985	1.1
145.06477	0.3
147.04398	0.3
147.08121	0.3
149.02351	3.5
153.01823	1.2
167.03419	0.9
169.06514	1.3
173.05960	0.6
181.06450	0.4
187.07698	0.5
197.05991	5.2
201.05420	0.3
215.07085	1.8
225.05412	1.3
240.53087	0.2
242.05681	1.6
243.06479	1.3
253.04942	0.4
271.06021	100.0
272.06421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.1
55.01868	0.2
65.03944	0.8
67.05501	0.2
68.99799	0.6
69.23129	0.3
69.23547	0.7
79.05493	0.5
81.03424	0.8
91.05495	0.2
93.03412	0.3
95.04952	0.3
96.71276	0.1
105.03393	1.6
107.04960	1.2
109.02885	0.2
111.04445	1.0
115.05466	0.4
117.07040	0.1
119.04970	0.2
119.08655	0.1
121.02872	11.1
121.03921	0.5
127.03896	0.2
131.04945	0.3
131.08565	0.3
133.02846	1.1
133.10150	0.1
134.03717	0.1
135.04433	0.3
137.02344	11.2
141.06996	1.4
144.05634	0.2
145.06483	0.3
145.10045	0.1
145.76025	0.1
147.04417	0.6
147.06789	0.1
147.08043	0.2
149.02347	4.2
151.03947	0.1
152.06242	0.2
153.01837	0.2
153.07014	0.3
159.08105	0.2
167.03448	1.0
169.06487	1.6
173.06007	0.5
181.06483	0.6
187.07585	0.7
196.05238	0.1
197.05994	5.8
198.06523	0.1
200.04706	0.2
201.05525	0.2
213.05463	0.4
214.06076	0.1
215.07021	2.3
217.12132	0.2
225.05457	1.6
227.07062	0.4
235.13300	0.1
242.05765	1.7
243.06551	1.1
253.04852	0.5
269.04703	0.1
271.06015	100.0
272.06363	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.1
67.01583	0.1
67.01873	1.8
67.05495	0.2
68.99786	1.2
69.03419	0.3
69.07054	0.2
69.31647	1.0
81.03386	0.2
81.07037	0.4
85.02896	0.1
91.05480	2.0
93.07040	0.2
95.08582	0.3
105.07034	0.3
107.08591	0.2
109.02878	0.2
109.10129	0.2
109.18845	0.1
111.00790	0.3
119.04947	4.8
119.08479	0.1
121.02881	1.9
124.03682	0.1
125.02359	0.2
127.03871	0.2
129.01830	0.3
131.01843	0.1
131.08574	0.2
135.11623	0.2
137.02402	0.1
137.05956	0.4
138.98706	0.1
141.06998	0.3
145.02838	2.0
145.10097	0.1
147.11736	0.1
149.02339	0.1
149.13214	0.1
153.01836	11.9
157.29578	0.1
159.04472	0.2
159.11752	0.1
161.05994	0.2
161.13300	0.1
163.03928	1.0
165.06947	0.3
168.05711	0.1
169.06425	0.3
171.02876	0.9
172.23894	0.1
183.08017	0.2
185.05919	0.1
187.03905	0.4
197.06030	0.4
198.18916	0.1
203.07091	0.4
211.07564	0.4
214.08672	0.1
215.07030	0.3
225.05470	0.8
229.04991	0.6
239.07072	0.2
243.06558	0.7
247.05984	0.2
253.04991	0.3
256.07233	0.2
271.06018	100.0
271.24228	0.6
272.06406	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94176	0.3
55.01878	0.3
57.05825	0.3
61.95176	0.3
67.05484	0.4
69.03441	0.5
69.94014	0.5
69.94438	1.2
70.06599	1.6
72.08160	100.0
73.08512	0.4
73.57643	0.3
81.07054	0.3
84.08200	0.3
91.05510	0.4
93.07060	0.8
95.08615	0.5
96.08132	1.2
97.02923	0.4
99.04489	0.4
105.07059	0.9
107.08615	1.2
110.06039	0.3
110.07182	0.4
112.07691	0.3
119.08617	0.8
121.08925	0.3
121.10153	0.7
122.09686	0.6
124.04002	0.4
124.07606	3.0
124.45599	0.3
125.04324	0.4
133.10144	0.4
135.11729	0.5
136.11270	1.0
138.09198	0.4
149.08469	0.3
150.09183	1.2
150.12828	1.1
152.10791	0.7
156.10257	0.3
158.63483	0.3
160.11220	0.4
163.10033	0.4
164.10735	7.1
165.11560	0.6
177.07712	0.3
178.08376	0.3
178.12270	4.9
188.10698	0.5
206.11781	10.6
207.12195	1.0
210.07809	0.5
224.12830	15.2
251.17653	0.4
269.08142	1.0
269.15732	0.7
269.18585	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	269.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01864	1.7
55.05505	2.9
56.96566	11.3
57.03441	1.9
58.06592	1.0
61.02924	1.4
67.05493	2.1
68.05038	26.5
69.03439	5.9
69.07077	2.2
70.02940	0.8
70.06599	18.2
71.01350	0.8
71.04989	2.1
72.07802	1.0
72.08161	13.7
73.02913	2.6
74.02445	3.2
77.03925	1.0
79.05496	2.8
79.45878	0.8
80.05036	5.0
81.03414	3.3
81.05805	1.4
81.07062	4.2
82.06585	6.8
83.04984	1.1
83.06112	1.7
83.08611	1.0
84.08147	6.9
84.96056	1.4
85.02911	6.4
85.06541	1.4
85.08440	1.9
86.06099	0.9
87.04461	2.8
91.05499	1.5
93.04544	1.8
93.07037	1.4
94.06604	0.8
95.04979	1.5
95.06117	0.8
95.08634	1.0
96.08143	6.3
97.02902	4.7
97.06543	0.9
98.06062	62.2
98.97590	14.0
99.04465	1.6
106.06577	1.4
107.08532	1.1
109.02897	1.3
109.06540	2.2
110.06023	0.9
110.07185	14.7
110.09686	1.0
110.97577	2.3
111.04507	1.1
112.07628	2.4
112.99126	1.4
114.05537	19.9
116.03618	0.9
116.07096	26.3
116.98667	4.5
120.08134	6.1
120.23554	0.8
121.06527	0.9
122.05990	0.9
124.07609	16.9
124.99102	1.1
125.04198	0.9
126.05560	1.0
126.09160	29.5
127.03918	2.1
128.07068	7.6
128.98599	2.6
130.08621	1.5
132.08138	0.9
134.04622	1.7
134.06012	3.7
134.09659	1.1
134.99619	0.9
136.06201	7.6
136.07123	0.9
136.07664	1.2
137.03465	3.0
137.05757	2.0
137.06532	5.9
138.05437	1.2
138.09154	24.1
138.10213	1.4
140.07100	2.3
143.00188	1.9
144.06567	100.0
145.08672	0.7
149.01300	0.9
150.09096	1.1
152.05826	1.4
152.07050	7.1
152.98575	1.2
155.04614	0.8
156.07689	3.7
158.99681	3.8
161.01173	1.2
162.09148	1.9
164.07042	0.9
164.10701	1.7
168.05438	1.2
172.07582	2.3
174.04381	1.4
177.00735	2.3
177.11501	1.1
178.08478	1.9
178.12204	0.9
182.03496	1.4
182.04977	9.7
184.02827	1.1
186.04376	1.1
187.02759	1.7
188.05695	1.5
188.10722	16.4
188.55003	1.3
189.55765	1.0
190.08640	3.3
201.00751	1.0
205.03276	1.6
205.13393	2.9
206.11775	6.0
207.12163	6.3
210.11287	2.7
212.06328	1.1
213.05556	1.6
216.10176	4.7
217.03360	1.3
219.01735	2.2
223.07561	2.0
223.14366	1.7
224.12880	3.2
227.03972	1.2
228.05536	0.9
231.06696	1.5
234.11253	14.8
237.02802	1.1
246.06508	0.9
251.14806	4.1
252.12325	11.6
269.05600	1.1
269.08264	10.9
269.11310	3.0
269.15143	21.0
269.18954	1.6
272.36703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01876	0.3
65.67925	0.2
67.05482	0.2
68.99792	0.2
69.07059	0.3
70.94616	0.4
72.04528	0.4
77.03941	0.2
79.05494	0.4
81.07072	0.4
82.63982	0.2
84.04240	0.2
89.03921	0.7
90.61115	0.2
91.05485	4.6
93.07034	0.3
95.04967	0.6
103.05450	0.5
105.03397	3.8
105.04435	0.2
105.07034	0.9
107.04966	0.9
108.02119	0.6
115.05469	5.4
116.53529	0.2
117.07008	0.8
118.04138	0.3
129.07027	1.5
131.04939	2.1
131.87511	0.2
133.02863	0.3
135.04399	1.4
136.01657	0.2
137.02344	0.4
141.01830	0.3
141.07010	0.5
142.07779	0.6
151.03932	3.4
152.05002	0.2
152.06198	1.1
153.05554	1.1
153.06964	1.2
154.07867	0.2
163.03914	1.1
165.01860	5.1
165.07014	1.9
166.07787	1.8
167.08591	0.6
169.06503	0.7
170.07306	0.7
177.06996	0.5
178.07817	1.2
179.08594	0.7
180.05737	0.6
181.06516	0.6
181.10098	1.0
183.02887	1.6
185.09665	0.4
189.07005	0.2
190.07794	0.4
191.08562	1.5
194.07269	2.8
195.08075	1.9
197.06024	0.7
198.06750	0.6
205.06651	0.4
207.08005	0.5
208.08754	0.3
209.09630	4.5
213.09203	1.1
219.08066	0.4
221.06030	0.5
222.06802	0.3
223.07527	0.5
225.05479	0.6
226.06258	18.7
227.06865	0.4
237.09120	5.8
239.07104	0.5
240.07747	0.2
241.08641	0.2
251.07021	2.1
253.05070	0.4
254.05769	7.3
254.09360	0.6
269.08109	100.0
269.11514	5.5
270.08511	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	269.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01876	0.5
55.05514	2.1
56.96561	1.0
57.03442	2.2
57.07064	0.4
65.03926	0.6
67.05508	6.4
67.21437	0.4
68.99780	0.4
69.03427	0.5
69.07069	2.5
69.63074	2.3
70.70728	0.3
71.04991	0.9
71.08657	0.4
79.05500	4.6
81.03417	0.4
81.07060	9.2
81.94206	0.4
83.04984	1.3
83.08186	0.3
83.08641	1.7
83.09055	0.3
84.36189	0.3
85.02939	0.4
85.06553	0.4
91.05482	10.6
93.07053	5.7
94.99747	0.3
95.04998	0.8
95.08618	3.4
97.06533	1.2
97.10172	0.4
98.21528	0.5
98.97607	0.6
99.08046	0.5
99.88380	0.3
103.05473	1.2
105.07023	4.1
107.04968	4.2
107.08597	3.5
108.02125	0.4
109.06503	0.6
109.10165	1.1
110.03629	0.4
111.08101	1.0
115.05460	20.1
116.98602	0.4
117.03397	0.5
117.07030	4.2
117.61980	0.3
118.04174	3.0
119.04955	2.0
119.08606	1.1
121.06492	0.7
121.10151	2.0
123.11712	1.0
128.06223	0.7
129.07008	4.7
131.04932	6.9
131.05826	0.6
131.08578	1.9
133.06485	0.6
133.10132	1.8
135.04424	1.6
135.08017	0.5
135.11707	1.2
136.01588	0.4
136.12383	0.3
137.02367	1.2
138.03200	0.3
140.06313	0.5
141.07018	1.4
143.08539	0.6
145.06483	0.4
145.10162	0.4
147.04405	0.4
147.11731	1.0
147.75642	0.3
149.09660	0.5
149.13272	3.1
152.06226	1.4
153.05479	3.2
153.06984	1.6
154.02634	1.1
154.06346	0.4
155.04907	1.7
155.06165	0.4
155.08575	0.5
156.05666	0.4
157.06512	0.6
157.10114	0.7
159.11749	2.1
161.06088	0.3
163.03951	0.6
165.01848	1.3
165.06995	4.9
166.07797	4.9
167.03412	0.4
167.07257	0.6
167.08603	1.4
168.05699	0.4
169.06496	0.7
170.07292	2.0
171.11778	0.6
173.13271	0.5
176.04726	0.4
176.06174	0.6
177.05611	0.4
177.07030	1.4
177.12790	0.7
178.07747	3.3
179.08591	2.7
180.05783	0.6
181.06511	1.9
181.10117	2.9
181.50731	0.3
182.07260	1.3
183.02885	1.1
183.04451	4.8
183.08011	0.8
185.06140	0.4
185.09688	0.7
185.13271	0.5
189.07080	0.4
190.07813	2.0
191.06958	0.7
191.08536	4.8
193.06415	0.8
194.07278	9.8
195.08015	1.3
195.13853	1.3
197.05995	4.5
198.06761	10.1
201.01921	0.5
205.06491	1.3
207.08109	1.1
208.08871	0.5
209.06314	0.5
209.09634	14.4
209.13147	0.7
209.15079	0.4
211.03905	1.4
211.07550	0.8
213.05597	0.5
213.09111	6.2
213.16576	0.5
219.08131	1.2
221.05963	1.1
222.06841	1.8
223.07628	1.5
225.05498	6.9
226.06250	25.5
227.06775	0.8
227.11948	0.5
233.15271	0.5
237.05515	5.3
237.09103	20.5
238.06186	0.5
238.09776	1.0
239.06995	1.9
241.04947	0.7
241.08615	9.0
251.07056	3.3
251.14279	0.5
253.04970	5.1
254.05780	9.7
254.09100	2.0
269.08121	100.0
269.11700	19.6
269.17154	2.2
269.22433	2.3
270.08478	2.8
270.11621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.081
Annotation	6-Hydroxy-4'-methoxyflavone
Peak:m/z	Relative Intensity
51.02363	0.4
53.03940	0.8
53.22317	0.2
55.01622	0.4
55.01870	6.1
57.39899	0.2
59.04991	0.6
65.03931	0.6
67.05482	0.3
68.99786	3.1
69.03439	1.2
69.07045	0.3
70.00187	1.1
79.01855	2.2
79.05474	0.3
81.03414	2.7
81.07040	0.6
91.05478	1.4
92.99758	2.0
93.07010	0.4
95.08558	0.2
97.02898	1.3
99.00804	2.0
105.03388	0.4
105.07025	0.5
107.05003	0.3
109.02865	0.8
109.10126	0.3
115.05428	0.3
117.06996	0.3
118.04132	0.5
121.02879	0.3
123.00789	2.3
130.33012	0.2
131.04965	0.3
137.01338	0.3
137.02347	4.2
139.33719	0.2
139.56693	0.2
141.01837	9.8
147.00764	0.4
149.02324	0.3
152.06142	0.4
154.02739	0.3
156.05792	0.3
165.01842	100.0
166.02165	0.7
167.03429	0.5
167.08568	0.7
170.07217	0.3
175.96837	0.2
178.76503	0.2
181.06427	0.4
183.02896	45.3
184.03241	0.3
185.13123	0.3
189.00346	0.2
194.91994	0.2
195.07968	0.3
197.05981	1.1
198.06779	0.4
203.47658	0.3
206.04562	0.3
213.09116	1.2
225.05475	0.6
226.06224	0.9
227.06992	1.9
237.05478	1.1
241.08620	0.5
251.07048	2.7
253.04971	0.9
254.05806	1.4
264.90341	0.3
269.08102	35.2
269.15518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.081
Annotation	Tectochrysin
Peak:m/z	Relative Intensity
51.02363	0.3
53.03936	0.6
55.01878	5.1
59.05001	0.6
65.03942	0.5
67.01875	0.2
67.05507	0.2
68.99792	3.1
69.03418	0.8
69.07072	0.2
70.81272	0.4
73.54344	0.2
79.01858	1.9
81.03416	3.2
81.07059	0.3
87.54777	0.2
91.05482	1.0
92.99774	1.8
93.07034	0.3
97.02899	1.3
99.00823	1.8
105.03426	0.2
105.07062	0.4
109.02898	0.9
111.00829	0.3
121.02865	0.4
123.00823	2.3
123.02871	0.2
137.02351	3.8
141.01834	7.9
147.00728	0.3
149.02225	0.2
152.06215	0.2
155.03416	0.3
165.01846	100.0
166.02205	0.2
166.20174	0.2
183.02905	37.5
189.76837	0.2
191.03441	0.3
203.24976	0.2
206.04535	0.3
226.06213	0.2
227.07043	2.2
251.07031	1.2
269.08112	24.5
270.08435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0809
Annotation	Tectochrysin
Peak:m/z	Relative Intensity
50.37112	0.1
51.02378	0.2
53.03942	0.5
53.63977	0.1
54.83936	0.1
55.01873	5.3
59.05008	0.8
65.03937	0.4
66.29475	0.1
67.01849	0.2
68.99789	2.9
69.03426	1.0
70.01987	0.1
71.08729	0.2
71.09081	0.1
79.01857	1.9
81.03421	2.6
91.05470	0.8
92.99763	1.5
95.01318	0.1
97.02895	1.2
99.00822	1.7
105.03381	0.4
105.07024	0.2
109.02880	0.8
111.00788	0.3
113.02338	0.2
117.06990	0.2
121.02878	0.2
121.06554	0.1
123.00796	2.1
125.16369	0.1
131.04965	0.3
134.80264	0.1
137.01343	0.2
137.02345	3.9
141.01836	8.1
143.08482	0.1
147.00781	0.4
148.01573	0.1
149.02338	0.4
153.06998	0.1
155.03354	0.2
165.01842	100.0
166.02126	0.6
167.03371	0.3
167.08530	0.2
183.02898	36.1
184.03253	0.3
191.03397	0.2
197.06021	0.2
206.04411	0.2
226.06236	0.2
227.07043	2.7
237.05487	0.1
241.08568	0.2
251.07068	1.2
253.04900	0.2
254.05664	0.1
269.08102	24.9
269.56665	0.1
270.08411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0811
Annotation	5-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
53.03939	0.4
55.01873	0.5
57.46866	0.3
58.59816	0.2
69.03421	0.3
69.64279	0.6
69.64704	1.1
72.04502	0.4
81.07051	0.4
89.03953	0.3
91.05487	3.8
93.07063	0.4
95.04982	0.5
100.17226	0.2
103.05448	0.5
105.03394	3.6
105.07034	0.6
107.04948	1.0
108.02092	0.7
115.05464	4.2
117.07027	0.7
118.04191	0.3
128.68495	0.3
129.06995	0.7
131.04956	1.3
135.04413	1.8
141.01840	0.4
141.07033	0.5
142.07771	0.5
151.03941	3.0
152.06216	1.0
153.05476	0.5
153.07024	0.9
163.03876	1.2
165.01855	5.1
165.06996	1.7
166.07776	1.1
167.08588	0.5
169.06538	0.6
170.07260	0.8
177.07051	0.3
178.07823	0.8
179.08533	0.4
180.05763	0.6
181.06519	0.8
181.10104	1.0
183.02942	1.8
189.07057	0.3
190.07800	0.3
191.08574	1.1
194.07317	1.9
195.08064	1.5
197.05968	0.9
208.05200	0.3
209.09616	3.4
213.09140	1.3
223.07538	0.7
225.05435	0.6
226.06268	19.9
237.05614	0.4
237.09108	3.9
239.07034	0.4
240.08066	0.3
251.07024	2.6
254.05775	7.4
269.08112	100.0
269.11456	3.7
270.08429	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0809
Annotation	6-Hydroxy-4'-methoxyflavone
Peak:m/z	Relative Intensity
53.03937	0.5
55.01877	4.8
57.07059	0.2
59.04992	0.6
60.99323	0.2
62.42979	0.2
63.99423	0.2
65.03944	0.3
68.99789	3.3
69.03409	0.6
69.64902	1.4
79.01862	1.7
81.03413	2.2
81.07034	0.6
86.35168	0.2
91.05486	0.6
92.99768	1.3
95.08616	0.5
97.02890	1.5
98.21494	0.4
99.00823	1.7
105.07053	1.1
109.02911	0.6
117.07029	0.2
119.08584	1.3
123.00777	2.5
123.11704	0.3
137.02344	3.1
141.01840	7.0
145.10152	0.5
147.00835	0.3
150.04237	0.2
155.03378	0.3
157.10094	0.5
160.22688	0.2
165.01845	100.0
166.02188	0.6
183.02901	31.6
184.03232	0.3
192.33981	0.3
213.16451	0.4
227.07062	2.1
236.24164	0.3
241.08641	0.4
251.06985	0.4
269.08115	22.9
269.22678	0.4
270.08487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0809
Annotation	6-Hydroxy-4'-methoxyflavone
Peak:m/z	Relative Intensity
51.02415	0.1
53.03942	0.4
55.01876	5.2
59.05001	0.8
65.03928	0.4
67.01868	0.2
68.99429	0.2
68.99789	3.2
69.03439	1.1
70.08657	0.6
79.01856	2.0
81.03423	2.5
91.05486	1.0
92.05801	0.2
92.99768	1.8
97.02891	1.3
99.00826	1.8
105.03383	0.2
105.07038	0.3
107.04933	0.2
109.02894	0.8
111.00780	0.2
117.07083	0.1
121.02893	0.2
123.00800	2.4
127.03861	0.1
131.04919	0.2
137.01340	0.3
137.02344	3.8
141.01836	8.3
147.00760	0.2
151.48619	0.1
155.03397	0.2
159.11819	0.1
165.01842	100.0
166.02127	0.6
178.84702	0.1
183.02899	33.8
184.03230	0.3
191.03407	0.2
197.04430	0.2
206.04456	0.2
223.07594	0.2
227.07042	2.7
229.67302	0.1
241.08649	0.1
251.07071	0.5
269.08105	21.9
270.08600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0809
Annotation	5-Hydroxy-7-methoxyisoflavone
Peak:m/z	Relative Intensity
55.01872	0.8
65.03929	0.2
67.01855	0.2
68.99780	0.2
69.81361	0.5
75.02304	0.1
76.11691	0.1
83.01343	0.2
86.68706	0.1
91.05482	5.4
103.05481	0.1
105.03369	0.2
105.07031	0.2
115.05429	1.0
115.06021	0.1
117.03362	0.1
119.08534	0.1
122.45954	0.1
128.06259	0.4
129.07005	1.8
131.04936	0.2
135.04358	0.1
141.01802	0.1
141.06993	4.8
145.06487	0.2
149.02367	0.1
151.05426	0.3
152.06212	9.5
153.07025	1.0
155.04944	1.3
155.06050	0.2
155.08589	0.4
163.03906	0.1
165.01848	1.2
165.07004	7.6
166.07803	3.1
167.03430	0.2
167.08568	13.2
168.08899	0.2
169.06505	1.5
176.06212	2.3
176.07628	0.2
177.07005	4.4
178.07758	1.5
179.06155	0.2
179.08612	0.3
181.06488	0.9
183.02884	0.4
183.04376	0.2
183.08081	0.3
194.07275	0.8
195.04414	0.1
195.08060	7.0
197.05983	14.1
198.06415	0.2
205.06375	1.5
206.07286	0.2
208.05191	0.5
213.09010	0.1
221.05942	0.2
222.06792	0.3
223.07547	13.3
227.07191	0.1
233.05811	0.2
250.06151	0.1
251.07036	100.0
252.07358	1.2
254.05750	0.1
269.08099	3.7
269.15292	0.1
269.22641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.081
Annotation	Tectochrysin
Peak:m/z	Relative Intensity
51.02376	0.4
53.03930	0.6
53.86621	0.2
55.01623	0.4
55.01875	6.6
59.05006	0.6
65.03598	0.5
65.03943	10.4
67.05492	0.3
68.99786	4.1
69.03426	1.3
69.07047	0.3
70.45194	0.5
70.45564	0.6
79.01855	2.1
79.05491	0.4
81.03424	2.8
81.07058	0.6
91.05501	1.7
92.05814	0.4
92.99758	1.8
93.03410	6.5
93.07032	0.7
95.01333	1.0
95.08576	0.3
97.02891	1.5
99.00812	1.9
105.03356	0.5
105.07015	1.0
107.04964	0.4
107.08638	0.3
109.02858	0.7
109.10123	0.3
111.00817	0.3
111.04417	0.4
115.05437	0.3
119.08563	0.6
121.02877	9.0
121.10137	0.3
123.00805	1.8
131.04971	0.3
133.10110	0.3
137.02354	3.9
141.01839	8.4
143.08557	0.4
145.10124	0.6
147.00745	0.3
149.02350	7.8
152.06140	0.3
153.06789	0.2
155.03473	0.5
157.10158	0.5
159.11723	0.3
163.03891	0.3
165.01842	100.0
166.02168	0.7
167.03410	30.7
171.07983	0.3
171.11658	0.6
179.08524	0.3
183.02901	41.9
184.03152	0.3
191.03455	0.4
195.07864	0.3
197.06007	0.4
198.06702	0.3
199.07457	0.4
206.04633	0.3
209.09734	0.3
213.09161	0.3
223.07611	0.4
226.06175	0.4
227.07030	3.4
227.17970	0.3
241.08670	0.8
251.07024	2.1
253.04868	0.4
254.05779	0.4
269.08105	31.6
269.22824	1.5
291.72894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.081
Annotation	Tectochrysin
Peak:m/z	Relative Intensity
51.02369	0.3
53.03944	0.6
55.01876	5.7
59.04982	0.7
62.07911	0.3
62.08259	0.3
65.03925	0.9
67.01867	0.4
67.05481	0.6
68.99785	3.6
69.03425	1.1
69.07056	0.5
69.47530	1.4
69.47935	0.5
74.18152	0.3
79.01861	2.2
79.05469	0.7
81.03047	0.3
81.03424	2.9
81.07047	0.5
91.05487	3.1
92.99780	1.5
93.03403	0.4
93.07004	0.5
95.08595	0.7
97.02888	1.2
98.21511	0.5
98.97576	0.3
99.00834	2.6
100.47916	0.3
103.05471	0.4
105.03382	0.7
105.07041	1.2
107.04962	1.1
107.08583	0.4
109.02869	0.7
115.05464	6.6
117.07027	1.4
118.04179	0.4
121.02874	0.6
121.10165	0.4
123.00800	2.0
128.06233	0.5
129.07008	1.3
131.01302	0.5
131.04918	3.1
133.10118	0.3
135.04427	0.7
137.02345	4.5
139.03868	0.4
139.05457	0.3
141.01843	9.4
141.07018	1.4
149.02359	3.4
152.06178	1.6
153.05464	1.3
153.06879	0.4
155.04782	0.3
155.08528	0.4
159.04434	0.3
163.03928	0.6
165.01846	100.0
165.07016	2.6
166.02167	0.6
166.07780	1.6
167.03433	3.8
167.08536	2.8
171.11694	0.2
176.06242	0.6
177.07019	1.3
178.07776	1.3
179.08577	1.1
181.06412	0.6
181.10100	0.9
183.02904	50.7
184.03287	0.5
185.13277	0.3
189.07127	0.3
190.07828	0.4
191.03415	1.0
191.08620	1.6
194.07288	2.8
195.08090	1.7
197.05978	3.4
198.06659	0.5
199.07497	0.3
202.54068	0.6
203.04402	0.5
205.06560	0.9
209.05952	0.3
209.09607	4.5
211.03853	0.4
212.53641	0.7
213.09021	0.6
215.03889	0.7
219.08072	0.6
222.06750	0.4
223.03940	0.4
223.07472	2.7
226.06259	2.1
227.07060	2.9
237.05551	0.6
237.09116	5.9
239.07022	0.6
241.08656	0.6
246.57886	2.5
251.07053	16.7
252.07436	0.4
253.05049	0.8
254.05708	1.7
254.09438	0.9
258.08734	0.3
269.08127	35.7
269.11639	5.7
269.19223	0.6
269.22516	0.3
269.25836	0.4
270.08453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0803
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.01863	0.3
68.99790	0.3
69.37892	1.1
69.38293	0.2
79.05486	0.3
81.07013	0.2
83.42527	0.2
89.03934	0.2
90.04725	0.2
94.45055	0.2
103.05463	0.3
105.03332	0.2
105.07015	0.4
107.04955	2.7
108.02082	0.7
118.04163	6.5
118.05013	0.3
121.85876	0.2
123.04469	0.2
124.38699	0.1
128.06224	0.3
129.06966	0.2
133.02882	0.3
133.06483	1.1
136.01569	1.1
137.02344	2.4
141.07010	0.2
145.10167	0.2
147.04437	0.2
152.06204	0.5
153.07007	0.7
154.02599	2.0
156.05708	1.2
157.06491	0.3
158.07294	0.5
163.03894	0.6
165.06978	0.4
167.08595	0.2
169.06502	0.7
170.07260	1.3
180.05696	0.2
181.06456	2.1
182.07262	1.0
184.05182	0.5
185.09567	0.3
195.08087	0.6
196.05130	0.2
197.05998	5.8
198.06761	2.9
200.04750	0.2
209.05988	0.3
210.06787	0.2
211.03915	0.2
213.09106	9.4
225.05464	2.9
226.06258	7.5
227.06639	0.2
237.05473	10.2
238.05750	0.2
241.04973	0.2
241.08551	0.4
253.04967	9.4
254.05745	10.2
269.08090	100.0
270.08316	1.1
272.66147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
66.04691	0.2
67.05500	0.2
68.99794	0.3
69.07053	0.1
69.37138	0.8
69.37553	0.2
79.05492	0.4
81.03423	0.1
81.07094	0.2
89.03918	0.2
90.04723	0.2
91.05459	0.1
93.07056	0.2
95.04985	0.2
95.08598	0.2
103.05489	0.3
105.03375	0.1
105.07018	0.4
107.04962	2.9
108.02118	0.8
117.92299	0.1
118.04163	6.6
121.02872	0.1
123.04438	0.2
128.06226	0.1
129.07002	0.2
131.04890	0.2
133.02855	0.4
133.06506	1.2
135.04410	0.3
136.01546	1.3
137.02338	2.6
141.06995	0.1
142.07787	0.1
145.06485	0.1
147.04410	0.2
148.05132	0.1
152.06209	0.5
153.06947	0.5
154.02626	1.7
154.07777	0.1
155.08527	0.2
156.05711	1.1
157.06473	0.4
157.10155	0.2
158.07272	0.3
163.03873	0.5
165.06975	0.3
167.08566	0.1
169.06491	0.6
170.07245	1.6
171.08119	0.2
180.05710	0.3
181.06474	2.2
182.07295	1.3
183.08037	0.3
184.05205	0.5
185.05836	0.1
185.09691	0.3
195.08011	0.5
196.05161	0.2
197.05980	5.7
198.06757	2.4
199.07446	0.3
200.04727	0.4
209.06000	0.4
210.06732	0.2
211.07591	0.2
213.09113	9.4
225.03241	0.2
225.05464	2.5
226.06247	7.8
227.06714	0.2
237.05461	9.7
238.06010	0.2
239.07077	0.1
241.08507	0.5
251.07014	0.1
253.04962	9.8
254.05743	10.2
258.05228	0.1
269.08084	100.0
270.08450	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1545
Annotation	Codonopsine
Peak:m/z	Relative Intensity
56.38274	0.3
63.88525	0.3
69.64223	2.1
72.08164	0.5
84.08146	9.9
84.08581	0.4
88.99477	0.3
91.05476	0.5
98.97583	0.5
100.93970	0.4
107.05010	0.4
111.23701	0.3
112.07656	0.4
116.98614	0.3
123.04449	0.8
124.03941	1.7
128.06276	0.4
131.08563	0.6
133.06497	0.5
134.04480	0.3
135.04448	0.4
136.06190	1.0
137.05957	0.6
139.07442	0.4
143.08577	2.2
148.05174	0.4
159.08055	1.1
160.05255	0.9
160.11218	1.3
161.05975	2.2
162.05530	0.9
163.06360	0.4
164.07083	3.6
169.67651	0.3
169.85744	0.4
171.08051	2.3
176.07042	0.6
177.07851	23.4
177.09027	1.0
188.10655	2.5
189.09117	1.8
204.10159	0.8
206.11769	100.0
207.12141	0.9
250.14401	19.4
258.60852	0.4
268.08087	0.7
268.15445	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	269.0809
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.01879	0.4
69.90038	1.9
77.15828	0.4
79.05463	0.5
89.74599	0.5
98.20741	0.8
107.04938	2.4
108.02101	0.5
118.04170	5.7
125.49850	0.5
133.06506	1.5
136.01569	1.4
137.02333	1.9
138.71901	0.5
153.07004	0.6
154.02594	1.8
156.05730	1.0
157.06538	0.7
163.82121	0.4
170.07265	1.5
181.06476	2.6
182.07288	1.6
184.05190	0.8
197.06009	5.0
198.06819	2.4
200.91042	0.4
213.09123	8.7
225.05461	2.7
226.06262	8.2
237.05452	9.1
253.04985	9.2
254.05750	8.5
269.08109	100.0
270.08517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0809
Annotation	5-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
53.03944	0.3
55.01845	0.3
55.05500	0.4
65.03903	0.3
67.05502	1.6
69.07059	0.7
69.10804	0.2
69.75654	0.7
69.76069	0.8
73.45100	0.2
76.49766	0.2
79.05479	1.0
81.07067	1.9
83.08618	0.8
84.96040	0.2
90.68409	0.3
91.05478	1.5
93.07025	1.0
95.04985	1.4
95.08610	0.7
97.06536	0.3
98.97591	0.6
105.07001	0.8
107.04923	0.3
107.08603	1.0
108.02105	2.8
109.10099	0.4
115.98833	0.2
118.04170	0.4
119.04967	2.0
119.08580	0.5
121.02863	0.7
121.10150	0.7
123.04414	0.4
123.11684	0.5
125.06010	0.5
129.06975	0.4
131.08585	0.6
143.08568	0.6
145.02840	3.6
145.10123	0.6
147.11684	0.5
149.02386	0.6
149.13277	0.3
151.03928	4.5
157.10115	0.4
159.11644	0.5
165.01859	1.0
167.03404	0.9
167.08476	0.3
169.04958	1.0
169.06325	0.4
170.07291	0.5
173.13188	0.3
175.14798	0.4
181.06534	0.6
182.07246	0.3
183.03001	0.5
191.03424	0.8
197.06061	0.8
198.06670	0.6
204.47037	0.2
209.13203	0.3
213.09055	0.9
213.16397	0.4
225.05452	0.3
226.06255	22.3
237.05276	0.5
241.08723	0.5
249.08800	0.4
251.07013	0.8
251.17998	0.3
253.04967	0.7
254.05753	9.0
269.08099	100.0
269.22662	1.5
270.08444	1.1
287.16318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.5
60.04520	1.6
61.43795	0.3
65.03943	3.8
69.07037	0.2
70.02951	3.3
71.57658	0.3
79.05484	0.3
88.03995	10.2
91.05452	0.3
93.03409	1.5
98.97591	1.0
102.05543	17.7
111.04418	0.6
119.08625	0.2
121.02867	100.0
122.03175	0.7
125.55416	0.3
130.05017	0.6
134.77611	0.2
148.06050	20.9
190.04970	0.4
208.06070	0.8
222.07600	2.1
236.05579	1.2
250.07156	0.9
268.08011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01877	0.4
56.96563	2.6
57.03429	0.7
61.02916	0.4
67.11253	0.2
68.06364	0.2
68.50786	0.2
68.83469	0.1
69.03433	1.0
70.06613	0.2
70.69280	0.4
70.69674	0.3
70.98124	0.6
71.01359	0.2
72.08163	0.4
73.02908	0.7
78.37630	0.2
81.03414	0.2
82.06586	0.2
84.08145	0.3
84.96039	0.3
85.02902	1.6
88.99165	0.2
94.04045	0.5
97.02901	0.6
98.97581	2.2
99.04435	0.2
101.06008	0.2
103.05416	0.2
105.07047	0.2
106.05030	0.3
109.02882	0.3
110.97589	0.5
112.07601	0.7
112.99152	0.2
115.03949	0.3
116.98615	0.5
119.03525	1.0
120.08123	0.5
121.08462	0.7
123.77592	0.2
124.03961	0.4
127.03957	0.2
128.98616	0.4
130.08650	0.5
134.46886	0.2
135.04373	0.2
135.05440	0.2
136.06189	100.0
137.04546	0.3
137.06590	0.3
140.98636	0.3
143.00192	0.3
144.06491	0.2
150.05467	0.2
152.05711	0.3
155.00150	0.4
156.03323	1.5
158.99673	0.2
160.86508	0.2
161.01254	0.2
168.03381	0.6
173.01338	0.4
174.04414	1.1
177.00708	0.2
182.99554	0.2
186.04408	2.6
186.99046	0.2
189.00636	0.2
201.00687	0.5
204.05428	1.0
206.11774	0.9
213.05504	0.2
219.01799	0.5
228.05420	0.3
229.00218	0.4
237.02724	0.3
244.99684	0.6
245.78656	0.2
250.14481	0.3
263.00720	0.9
268.10342	4.1
268.15182	0.2
271.01437	0.2
289.97977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.73512	0.6
53.03949	3.8
55.01878	2.2
55.05519	6.7
56.96585	0.7
57.03442	18.7
61.73357	0.6
65.03929	1.2
67.05170	1.0
67.05514	14.8
69.03430	2.9
69.07079	4.8
69.30434	1.2
69.30840	4.5
71.05011	1.4
79.05495	14.7
81.03423	100.0
81.07063	17.8
83.04992	5.3
83.08624	16.7
85.02934	0.6
85.06522	0.9
91.05485	20.9
93.07052	10.3
95.04972	21.3
95.08615	8.6
97.02905	2.4
97.06519	1.5
97.10193	1.8
98.20808	1.6
98.97608	1.0
99.08144	0.8
105.07034	15.7
107.04959	5.3
107.08581	4.1
109.06546	3.5
109.10156	2.6
111.04459	1.6
111.08079	4.8
115.05482	1.5
116.55804	0.6
117.07018	1.6
119.04916	0.8
119.08585	13.3
121.02888	1.1
121.06503	2.5
121.10160	5.2
123.08071	2.2
123.11685	1.9
125.09609	1.3
128.06241	0.7
129.07024	7.7
131.08562	7.7
133.01079	0.6
133.06503	2.4
133.10149	4.0
135.08064	1.0
135.11732	0.7
137.05995	0.6
137.09651	1.2
141.78435	0.6
142.07799	2.5
145.10126	1.8
147.08057	2.8
147.11691	8.6
149.09656	3.7
157.10135	8.8
159.11734	1.1
159.85986	0.7
161.13379	0.8
163.11201	0.8
165.12729	3.1
175.11194	8.1
177.12711	0.8
179.10416	0.8
183.11801	0.8
193.12256	17.7
205.12277	0.9
211.13268	2.8
239.06978	0.7
249.14888	2.5
267.06494	1.5
267.15924	43.7
285.10159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84176	3.2
69.28913	27.2
70.75101	2.9
73.49281	2.9
79.36108	2.9
90.04684	4.1
91.05480	42.1
92.05805	25.3
105.07059	3.4
107.01308	4.8
108.02119	6.1
109.31631	2.7
118.04149	7.4
122.03695	6.2
132.05754	3.5
141.07004	6.9
151.03920	4.2
152.06277	3.7
158.60275	2.7
165.01955	3.3
167.08485	2.8
168.04251	3.9
168.05746	4.8
169.06490	6.4
181.06580	7.8
190.05968	4.0
195.07988	5.9
197.05992	36.7
209.06055	3.4
211.07558	33.6
212.08368	4.7
214.06221	5.6
224.04805	4.5
225.05434	12.5
239.07022	23.0
240.07813	66.8
251.07010	21.8
252.04160	4.3
267.06534	35.4
268.07339	100.0
268.10507	18.5
268.26413	5.3
269.08136	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	267.1017
Annotation	Microperfuranone
Peak:m/z	Relative Intensity
55.05508	0.3
56.96562	0.6
63.02366	0.2
65.03944	2.4
67.05495	0.3
69.07062	0.3
70.19141	1.0
79.05495	0.7
81.03423	1.6
81.07063	0.7
83.08596	0.3
91.05486	100.0
92.05818	0.5
93.07054	0.3
95.04989	0.6
95.08626	0.4
103.05475	1.4
105.03388	1.8
105.07025	0.8
107.04962	0.4
111.72244	0.2
115.05451	0.7
123.04403	0.3
129.06972	0.2
131.04932	2.2
132.65823	0.2
133.02902	0.4
133.10152	0.4
141.07002	0.8
152.06201	0.3
152.56096	0.2
153.07004	1.0
155.08548	0.3
157.10208	0.2
159.04428	1.1
161.05989	0.3
165.05574	0.4
165.07001	4.2
165.08415	0.2
166.07787	4.4
167.08533	0.5
177.07048	0.3
178.07741	2.5
179.08571	3.7
180.09309	0.4
181.06534	1.1
181.10130	2.7
189.05479	5.9
189.07021	0.6
190.07840	1.1
191.08578	3.0
193.10120	0.4
194.07297	3.3
195.07945	0.5
196.08864	0.5
197.09627	0.3
197.98213	0.2
206.07413	0.3
207.08095	1.1
208.08958	0.5
209.06187	0.4
209.09624	3.0
211.11136	1.2
213.09099	0.7
219.07973	1.3
220.03886	0.2
221.09558	0.5
224.08330	1.1
227.10753	0.2
235.07530	0.3
237.09103	4.5
239.10655	2.8
240.64993	0.2
244.05013	0.5
249.09123	1.0
267.10172	32.9
267.16006	0.8
268.10477	0.4
285.10873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
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
53.03950	4.8
55.01867	2.7
55.05506	8.4
57.03439	22.2
65.03938	1.2
67.05503	18.7
69.03425	2.1
69.07069	5.1
71.01959	1.8
71.04983	1.8
72.91648	0.9
73.13033	0.8
79.05499	16.7
81.03419	100.0
81.07053	19.7
83.04980	6.3
83.08615	14.8
83.88152	0.8
85.02850	0.9
87.04458	1.4
91.05484	21.6
92.31077	0.7
93.07043	10.9
95.04967	20.6
95.08607	8.6
97.02898	2.8
97.06525	2.3
97.10159	2.8
99.08094	0.7
100.21375	0.9
105.07033	14.4
107.04967	4.6
107.08597	4.8
109.06543	4.3
109.10139	2.9
111.04425	1.2
111.08095	5.9
115.05462	1.6
119.04929	0.8
119.08585	13.9
121.06519	2.0
121.10134	7.7
123.08061	2.4
123.11658	1.5
125.09611	1.3
129.07014	8.4
131.08577	8.5
133.06493	3.7
133.10144	5.7
137.05969	0.8
137.09592	1.9
137.78754	0.8
142.07805	2.3
144.17271	0.8
145.10114	1.5
147.08046	3.1
147.11670	10.5
149.09630	3.5
157.10132	9.5
163.11179	1.1
165.12715	2.6
175.11182	10.0
193.12250	19.9
211.13335	2.8
234.48218	1.0
241.97650	0.8
249.14958	1.5
267.15918	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	267.1015
Annotation	Microperfuranone
Peak:m/z	Relative Intensity
50.63403	0.2
51.02368	0.3
53.03949	0.5
55.01846	0.2
55.05507	0.6
56.74162	0.2
56.96571	1.0
57.03446	0.6
61.54315	0.2
61.85384	0.2
65.03941	2.2
67.05506	0.7
69.07072	0.3
70.07697	0.7
70.08107	0.4
79.05486	0.7
81.03417	2.7
81.07066	1.2
83.04964	0.2
83.08632	0.4
91.05486	100.0
92.05790	0.5
93.07048	0.6
94.14238	0.2
95.04974	0.9
95.08611	0.7
103.05465	1.6
105.03410	1.6
105.07030	1.6
107.04954	0.4
107.08617	0.5
109.06546	0.5
109.10157	0.4
109.65408	0.2
111.04344	0.3
113.78513	0.2
115.05488	1.2
119.08618	0.6
121.06556	0.3
121.10187	0.4
123.04490	0.4
123.11738	0.4
129.06993	0.6
131.04929	2.6
131.08572	0.3
133.10226	0.3
137.02493	0.2
141.06998	1.3
147.11714	0.4
149.04536	0.2
149.05878	0.3
152.06192	0.4
153.07002	0.9
154.07698	0.3
155.63725	0.2
157.10176	0.4
159.04413	1.6
161.05997	0.5
165.06992	4.4
166.07785	5.3
167.08563	0.6
169.10080	0.4
175.11221	0.5
177.06940	0.3
178.07785	3.0
179.08556	3.3
180.09302	0.5
181.06516	0.9
181.10103	3.1
183.08070	0.3
189.05484	6.4
189.07019	0.8
190.07811	1.1
191.08588	3.5
193.06514	0.3
193.10196	0.4
193.12271	0.6
194.07288	3.1
195.08104	0.5
197.09416	0.3
205.84009	0.3
206.07324	0.5
207.08041	1.1
207.23471	0.2
208.08759	0.6
209.05945	0.2
209.09628	3.5
211.11230	1.0
213.09158	0.6
219.08041	1.2
221.09708	0.5
221.15436	0.3
222.06776	0.3
224.04813	0.2
224.08365	0.7
225.08994	0.3
225.58812	0.5
227.04524	0.4
227.96353	0.2
228.03641	0.3
235.07629	0.4
237.09114	4.8
239.10640	2.7
242.53436	0.2
244.06885	0.4
249.09085	0.8
265.08701	0.3
267.10178	34.9
267.15790	1.6
268.10507	0.6
285.10870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1017
Annotation	Microperfuranone
Peak:m/z	Relative Intensity
50.01595	0.1
51.02388	0.1
53.03951	0.3
55.01878	0.2
55.05518	0.1
56.96565	0.4
58.74950	0.1
63.02375	0.2
65.03941	2.8
67.05501	0.2
69.03424	0.2
69.07082	0.1
71.57635	0.2
73.04536	0.1
77.03932	0.2
79.05496	0.3
81.03420	0.3
81.07061	0.3
83.01348	0.3
85.06548	0.1
91.05485	100.0
92.05820	0.7
93.07027	0.3
95.04973	0.5
103.05476	2.1
105.03392	2.5
105.04494	0.2
105.07036	1.3
107.04961	0.4
107.08591	0.1
107.63840	0.1
109.06512	0.1
111.04457	0.1
115.05460	1.4
117.06993	0.2
118.04164	0.1
119.05002	0.3
119.08604	0.2
121.06495	0.2
123.04438	0.3
129.07034	0.3
131.04929	3.4
132.08156	0.1
133.06528	0.2
141.07008	1.9
143.08607	0.1
144.05739	0.2
147.04469	0.1
147.08104	0.2
149.06000	0.1
152.06210	0.7
153.06990	1.4
154.07790	0.2
155.04948	0.3
155.08594	0.6
157.06551	0.1
159.04419	2.1
161.05992	0.5
165.07004	7.1
166.07793	8.0
167.08549	1.0
168.05698	0.2
169.06520	0.3
169.10114	0.3
176.06181	0.1
177.06990	0.2
178.07785	3.7
179.08563	4.6
180.09346	0.3
181.04950	0.2
181.06499	1.6
181.10126	3.8
182.07254	0.2
183.08034	0.4
183.11681	0.2
189.05484	9.2
189.07042	1.2
190.07784	2.0
191.08562	4.8
192.07713	0.1
192.09328	0.3
193.06531	0.3
193.10178	0.5
194.07275	5.0
195.08076	0.8
196.08855	0.4
197.05937	0.3
197.09663	0.3
205.06567	0.3
206.07306	0.6
207.06276	0.2
207.08043	1.7
208.08759	0.6
209.06036	0.4
209.09618	4.9
209.11610	0.2
210.06790	0.1
211.07579	0.3
211.11200	1.2
213.05690	0.1
213.09119	0.9
217.01909	0.1
218.07243	0.2
219.08049	2.2
220.08736	0.2
221.09584	0.8
222.06749	0.3
223.07587	0.3
224.08318	1.2
225.09120	0.4
225.12723	0.5
227.04446	0.1
227.10622	0.2
228.53630	0.1
234.06870	0.2
235.02631	0.1
235.07607	0.7
236.02974	0.1
236.08322	0.2
237.09109	6.1
237.56084	0.1
238.09659	0.1
239.07002	0.2
239.10666	3.6
243.56194	0.2
249.09171	1.8
249.18591	0.1
250.09628	0.1
251.07137	0.2
252.07878	0.2
253.08727	0.2
265.05005	1.1
265.08569	0.4
267.06866	1.5
267.10162	44.0
268.10434	0.6
285.11325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1016
Annotation	Microperfuranone
Peak:m/z	Relative Intensity
53.03943	0.3
57.03437	0.2
57.07064	0.2
65.03943	2.6
67.05497	0.3
69.03413	0.2
71.06475	0.3
79.05504	0.3
81.03431	0.9
81.07089	0.2
81.61926	0.2
83.04948	0.2
91.05485	100.0
91.84211	0.2
92.05826	0.7
93.06972	0.2
95.04967	0.6
103.05482	1.4
105.03403	1.9
105.07030	0.5
107.04963	0.4
115.05470	0.8
121.06488	0.2
131.04942	2.2
135.04347	0.2
141.07037	1.0
152.06248	0.4
153.06996	0.7
155.08604	0.3
159.04408	1.1
165.05605	0.2
165.07007	4.4
166.07794	4.7
167.08609	0.4
168.09322	0.2
169.10231	0.2
177.07036	0.2
178.07753	2.6
179.08554	3.6
180.09332	0.4
181.06535	0.9
181.10127	2.6
183.08255	0.2
183.75705	0.2
189.05479	5.9
189.07008	0.8
190.07785	1.0
191.08566	2.8
193.06465	0.3
193.10228	0.4
193.12056	0.2
194.07266	2.7
195.08134	0.4
196.08821	0.3
205.82442	0.2
206.07254	0.5
207.08063	1.0
208.08846	0.4
209.06110	0.2
209.09619	3.2
211.07582	0.2
211.11124	1.0
211.38937	0.2
213.09129	0.7
219.07988	1.3
221.09674	0.2
224.08345	0.7
235.07550	0.4
237.09111	4.5
239.10648	2.5
249.09050	1.2
267.10175	28.9
268.10617	0.4
285.11151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
57.07071	1.1
65.03945	2.4
67.05493	0.7
69.03426	0.3
69.07069	0.5
70.80274	0.6
71.08629	0.8
79.05499	0.4
81.07050	1.3
83.01300	0.4
83.08590	0.4
85.10188	0.4
91.05483	100.0
92.05835	0.4
93.07021	0.2
95.04987	0.3
95.08595	0.8
97.10152	0.3
97.48848	0.2
103.05479	1.6
105.03400	2.0
109.10148	0.6
115.05462	0.6
118.04177	0.2
119.08495	0.3
119.57682	0.2
131.04922	2.1
141.06992	1.0
152.06171	0.3
153.06996	0.8
155.08574	0.3
159.04465	1.2
165.07002	4.0
165.87453	0.2
166.07787	4.1
167.08542	0.7
178.07806	2.5
179.08549	3.6
181.06490	0.7
181.10130	2.3
183.01015	0.2
189.05487	6.5
189.07033	0.9
190.07751	1.0
191.08578	2.9
193.10172	0.5
194.07295	2.9
195.08025	0.5
196.08821	0.5
206.07382	0.3
207.08153	1.2
208.08847	0.4
209.05998	0.2
209.09605	3.3
211.07564	0.4
211.11140	1.2
213.09142	0.6
219.08115	1.8
224.08348	0.9
235.07562	0.6
237.09097	4.1
239.10713	3.0
244.24867	0.2
249.09036	0.8
265.08704	0.4
267.10162	32.4
268.10757	0.3
285.11395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1017
Annotation	Microperfuranone
Peak:m/z	Relative Intensity
51.02370	0.2
53.03946	0.4
55.01884	0.2
55.05511	0.6
57.03443	1.5
59.09852	0.2
59.14249	0.1
64.63148	0.2
65.03943	2.7
67.05501	0.8
69.03438	0.3
69.83847	0.9
79.05490	1.1
81.03419	7.4
81.07056	1.1
83.01350	0.2
83.04963	0.4
83.08624	1.1
90.04722	0.2
91.05484	100.0
92.05803	0.6
93.07040	0.7
95.04985	1.8
95.08614	0.7
103.05475	2.0
105.03396	1.6
105.07058	1.2
105.19630	0.2
107.04967	0.6
107.08588	0.3
109.06544	0.3
111.08072	0.4
115.05437	1.1
117.07016	0.3
119.08579	0.8
121.10136	0.4
123.04391	0.2
123.83366	0.2
129.07030	0.7
131.04932	2.0
131.08580	0.6
133.10107	0.3
135.04393	0.2
137.05925	0.2
137.09634	0.3
141.06993	1.1
147.08034	0.4
147.11690	0.5
149.09567	0.3
152.06209	0.4
153.06996	0.8
154.07828	0.2
155.08569	0.4
157.10155	0.7
159.04407	1.3
161.05945	0.2
165.06999	3.8
166.07784	4.4
167.08626	0.2
169.10211	0.4
175.11169	0.8
177.07016	0.2
178.07797	2.1
179.08563	3.7
180.09193	0.2
181.06485	0.7
181.10130	2.6
189.05479	5.4
189.07016	0.7
190.06158	0.2
190.07722	1.0
191.08574	2.9
192.70905	0.2
193.10275	0.4
193.12250	1.2
194.07266	3.1
195.07988	0.6
196.08757	0.3
197.09628	0.3
206.07280	0.5
207.08018	1.3
208.08890	0.3
209.06134	0.2
209.09636	3.0
210.06709	0.3
211.07552	0.3
211.11313	0.8
213.09128	0.7
219.08073	1.5
221.09674	0.4
223.07599	0.2
224.08319	1.1
235.07660	0.4
237.09097	3.6
239.10678	3.2
249.09192	1.0
262.72876	0.2
267.10172	31.1
267.15900	3.2
268.10458	0.4
285.11121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1018
Annotation	Microperfuranone
Peak:m/z	Relative Intensity
53.03955	0.4
54.12391	0.2
57.03434	0.2
60.50261	0.2
61.79066	0.2
65.03950	2.9
67.05478	0.2
68.27159	0.2
69.97498	0.2
69.97847	1.1
78.62566	0.2
79.05495	0.2
80.60872	0.2
81.03417	1.5
81.07069	0.5
83.08621	0.2
91.05486	100.0
92.05784	0.6
95.04965	0.9
98.98475	2.2
99.01214	0.2
103.05464	1.5
105.03399	1.9
105.07044	0.8
107.04922	0.2
115.05446	1.2
119.08650	0.3
123.04436	0.4
131.04942	2.3
132.80080	0.2
141.06966	0.9
147.11623	0.2
153.06969	0.8
154.07857	0.3
155.08566	0.4
159.04391	1.4
161.06056	0.2
165.07011	4.8
166.07794	4.6
167.08569	0.5
177.07091	0.3
178.07751	2.5
179.08559	3.4
181.06483	0.9
181.10135	2.7
183.08075	0.3
183.11646	0.3
189.05470	6.1
189.07018	0.7
190.07828	0.9
191.08563	2.8
193.06477	0.4
193.10173	0.4
193.12157	0.2
194.07271	2.9
195.08000	0.2
206.07292	0.4
207.08127	1.2
208.08763	0.3
209.05858	0.3
209.09636	2.8
211.07553	0.6
211.11267	1.0
213.09117	0.8
219.08015	1.1
224.08301	0.9
225.09349	0.4
235.07613	0.5
237.09106	4.0
239.10692	3.2
249.09167	1.2
265.08640	0.3
267.10165	33.5
268.10507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1018
Annotation	Microperfuranone
Peak:m/z	Relative Intensity
51.97135	0.2
53.03949	0.2
55.01875	0.2
55.05509	0.5
56.96563	0.6
57.03442	0.2
57.07069	0.2
65.03947	2.8
66.33189	0.2
67.05509	0.6
69.03424	0.3
69.07069	0.3
70.12843	0.8
77.03939	0.3
79.05489	0.5
81.03416	1.7
81.07068	0.7
83.04971	0.2
83.08612	0.3
91.05486	100.0
92.05808	0.5
93.07072	0.5
95.04984	0.6
95.08633	0.3
97.06529	0.3
98.20808	0.3
103.05456	1.3
105.03416	1.8
105.07043	1.4
107.08601	0.5
109.06501	0.3
115.05457	0.8
119.08583	0.6
123.04401	0.3
123.08097	0.2
129.07031	0.5
131.04930	2.0
133.06564	0.5
133.10121	0.3
135.04430	0.3
141.07001	0.8
147.11676	0.4
149.02336	0.2
152.06224	0.2
153.07001	0.8
155.08554	0.5
155.33018	0.2
159.04437	0.9
165.06995	3.6
166.07799	3.7
167.03403	0.3
167.08592	0.4
168.09438	0.3
169.10101	0.3
178.07787	2.2
179.08566	2.8
181.06563	1.0
181.10107	2.1
183.07999	0.3
189.05501	5.5
189.07025	0.5
190.07832	0.6
191.08600	2.5
193.10155	0.6
194.07295	2.6
195.08081	0.5
196.08856	0.5
197.05959	0.2
204.03452	0.3
206.07310	0.3
207.08127	1.3
208.08809	0.4
209.05997	0.3
209.09639	2.7
210.06755	0.3
211.11198	0.7
213.09140	0.7
218.07570	0.2
219.08096	1.0
224.04822	0.3
224.08319	0.9
235.07288	0.6
237.09091	3.6
239.07118	0.3
239.10678	2.9
244.07387	0.4
249.09132	1.0
252.07776	0.4
267.06769	1.7
267.10172	29.3
267.16010	0.7
268.10608	0.4
285.11032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
56.96562	0.6
58.46779	0.3
66.59762	0.3
67.05501	1.0
69.03427	0.3
69.07083	0.6
69.08097	0.4
70.02958	0.6
71.58283	0.4
71.58691	0.4
78.79900	0.3
79.05493	0.5
81.07066	1.0
85.06565	0.3
87.00838	2.5
88.04015	0.3
91.05495	1.8
93.07037	2.0
95.08612	1.1
98.97591	0.6
102.05551	0.5
103.05469	6.1
105.07052	0.5
106.07355	0.3
107.08580	0.4
109.02911	0.8
109.06632	0.3
109.10149	0.7
118.06547	9.6
120.08108	100.0
121.06500	1.3
121.08451	0.5
128.04959	0.8
131.08536	0.3
135.08118	0.3
146.06012	13.4
148.07573	0.5
174.06418	0.3
180.10190	1.9
182.04874	0.3
188.07059	18.0
206.08127	62.9
207.08459	0.8
214.08601	0.4
216.06529	0.9
220.69102	0.3
225.20557	0.4
234.07587	0.7
248.09258	0.7
266.08783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35826	0.3
55.05511	0.5
56.96587	0.3
57.03432	0.3
59.05004	0.6
60.21497	0.2
61.02937	1.0
67.05508	0.3
69.03436	0.5
69.67253	1.3
70.06622	0.2
71.05000	1.6
76.94928	0.3
79.05513	0.8
81.03414	0.3
81.07058	3.2
84.04510	4.0
85.06559	0.3
91.05489	3.8
93.07050	0.3
94.04062	1.5
95.04939	0.4
95.08638	0.3
97.02879	0.3
98.20718	0.3
98.97576	0.8
102.05533	1.5
113.09642	0.2
119.03546	2.5
119.08541	0.3
119.73563	0.2
128.95734	0.3
130.05009	5.3
133.10152	0.3
136.06195	100.0
137.04601	1.4
137.05676	0.3
148.06032	2.2
150.07715	0.3
162.09084	0.3
163.40358	0.2
208.09737	0.7
220.09698	0.3
234.09975	0.3
234.11143	0.5
234.13513	17.6
266.16119	45.7
267.16422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04525	12.0
65.03948	1.1
68.71044	0.8
69.31804	1.7
69.32217	5.8
70.02950	5.1
74.87479	0.7
88.03990	55.0
91.05481	80.5
98.21602	1.5
102.05542	100.0
113.02423	1.2
120.57675	1.0
130.05019	1.9
146.06032	3.3
148.06047	57.5
153.01428	0.8
183.57440	0.9
192.13292	1.0
206.08153	3.1
220.09697	6.0
234.07591	1.1
248.09207	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	266.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01862	3.4
56.96291	1.4
56.96568	25.7
57.03437	11.3
58.06587	1.2
59.04990	1.0
60.08164	6.9
61.02927	9.6
69.03078	1.5
69.03432	23.3
70.98120	1.1
71.01353	1.5
71.05003	7.6
71.54853	0.9
71.55247	1.1
71.95287	1.1
72.08147	1.4
73.02917	15.6
75.01064	0.9
75.50139	0.9
81.03415	9.5
83.04974	1.8
84.01559	1.4
84.96026	3.4
85.02910	34.5
85.06553	0.8
87.04470	10.8
88.10047	0.8
89.00768	0.8
90.01581	1.0
91.02347	1.0
91.03952	2.7
94.06538	1.6
95.00746	1.7
95.04959	1.0
96.01547	1.4
97.02321	5.9
97.02890	27.3
97.96806	1.3
98.03178	1.1
98.97591	40.2
99.04453	7.5
99.97884	1.1
100.99136	7.6
101.00798	3.0
102.01563	1.6
104.01293	2.6
104.07103	1.0
104.10749	41.7
105.02036	1.2
106.02877	4.9
108.01552	1.3
109.02250	2.1
109.02898	5.5
110.01289	5.2
110.03134	1.0
110.97557	8.6
112.00948	1.1
112.02827	1.9
112.99137	25.8
115.03960	1.5
116.03094	1.4
116.98614	10.4
117.02046	2.7
118.02879	2.1
119.00220	1.9
119.01834	6.7
120.01147	1.2
122.03056	1.3
124.02838	2.6
124.99126	2.6
125.01797	2.6
125.03630	2.0
126.02587	1.3
127.00682	7.2
127.03976	9.4
128.02328	2.8
128.98604	6.3
130.02864	1.7
131.00183	14.3
131.01775	2.7
131.03578	2.8
132.00537	1.2
133.01552	1.3
133.03340	2.0
134.04190	0.8
134.99765	1.1
139.01514	1.8
139.03348	2.6
140.02318	8.5
140.04103	1.1
140.98648	1.2
141.03162	1.3
143.00139	6.7
144.98045	0.9
145.01743	9.0
145.02950	1.1
145.03337	1.3
145.04926	3.7
146.02292	3.5
146.99658	2.5
147.03082	4.7
148.03833	1.3
149.01247	3.6
149.02837	3.7
152.02344	1.7
154.03860	3.3
155.02821	4.3
156.03629	1.8
156.81491	0.8
157.01776	3.0
158.99669	8.1
159.03273	1.1
160.03864	6.2
161.01239	3.5
161.02773	1.7
162.03568	1.0
163.03017	4.6
163.04298	5.2
164.05704	1.1
165.00705	2.0
167.02896	2.2
168.55180	1.4
169.04391	54.6
169.54567	3.4
170.03267	1.3
170.99641	4.8
173.01277	1.7
173.02792	1.0
175.02791	6.0
176.03415	12.6
176.04964	2.0
177.00728	3.7
177.04166	1.7
178.04935	100.0
178.55086	6.1
182.03467	0.9
182.99641	2.1
184.55138	1.5
185.03897	10.7
185.05693	4.5
186.04640	2.0
189.00684	5.3
189.55760	4.2
191.03886	1.7
193.03886	8.7
194.01222	1.1
194.04558	1.1
194.06241	4.8
200.04485	1.5
201.00676	2.0
205.00325	1.1
205.03740	1.1
207.01750	5.9
211.04967	2.3
219.01723	5.1
221.04843	1.0
227.04951	2.4
231.01909	0.9
237.02899	2.4
247.04848	1.1
249.02983	4.9
249.08174	1.1
250.45526	1.1
251.04436	2.1
266.08426	25.6
266.16000	87.5
266.58502	3.1
267.03873	2.0
269.05524	1.7
279.03912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.8
65.52963	0.2
70.81087	0.6
74.61423	0.2
82.99892	0.6
87.67387	0.2
98.97593	1.4
101.00889	6.1
116.98692	0.5
119.01929	9.8
134.99869	0.7
137.03008	1.1
140.98854	1.4
158.99918	3.8
175.02971	0.4
177.00966	21.6
178.01059	0.7
182.99828	1.1
185.98134	0.2
195.01892	0.3
199.03110	0.3
201.00931	3.9
201.02786	0.2
217.04112	3.2
219.02016	26.5
219.94551	0.3
220.02234	1.0
225.00833	2.1
234.00839	0.2
242.96466	0.5
243.02008	12.5
244.02116	0.4
261.03079	100.0
262.03217	2.6
263.03391	0.3
266.03635	0.4
274.97360	0.3
275.04590	0.4
283.65222	0.2
284.04697	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1547
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03943	0.6
55.05514	12.8
56.05016	0.7
56.96572	0.5
57.03463	0.3
57.05822	1.2
62.61217	0.2
67.05507	0.5
68.15417	0.2
69.03439	0.7
69.07077	0.3
69.98268	1.2
70.06595	0.5
71.05012	0.4
72.08158	100.0
72.21689	0.2
73.08487	0.4
79.05497	0.5
81.03410	0.4
81.04565	0.3
81.07054	0.7
83.04988	0.8
84.08139	0.4
85.02911	0.4
85.06549	0.5
86.09728	0.5
91.05501	1.0
93.07054	0.6
95.08597	0.3
97.02904	0.7
98.97581	1.2
103.05496	0.8
105.07058	0.6
106.04898	0.4
107.04981	0.5
107.08627	0.6
109.02885	0.6
109.06553	0.4
111.04391	0.4
116.06209	0.3
116.98663	0.3
117.07050	0.3
119.08618	0.4
120.08115	13.9
121.02896	0.4
121.06533	0.6
122.07167	1.6
123.04542	0.3
123.08015	1.0
124.07629	0.5
127.03975	0.4
131.04916	0.4
131.08598	0.7
133.10213	0.5
135.08075	0.5
136.06180	2.9
145.06500	0.5
147.04414	0.3
147.08080	0.3
158.07343	0.3
159.08026	0.6
159.09233	0.3
163.11166	0.3
165.05469	0.3
166.08656	10.9
168.81792	0.3
175.07585	0.6
177.05482	0.3
187.07532	0.5
191.07100	0.3
193.08772	0.3
205.08755	0.7
217.08752	0.4
219.01816	0.3
219.06573	0.3
219.14992	0.9
229.08260	0.3
238.56454	0.3
240.12674	0.3
247.14453	1.2
248.10419	0.5
265.07193	0.4
265.11383	1.3
265.15509	4.9
265.18137	0.4
266.16232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03943	5.1
55.05508	17.4
65.03938	15.0
67.05522	34.1
69.03437	38.4
69.07075	6.1
69.35017	21.9
69.35419	7.8
71.04983	8.2
72.08147	9.2
79.05495	23.1
81.07048	17.3
83.04983	8.9
91.05481	53.8
93.03429	5.0
93.07048	57.3
95.04971	36.5
95.08614	24.6
97.02844	7.2
97.06532	7.7
98.21551	8.6
98.97569	5.5
99.04450	4.3
103.05474	12.4
105.07038	84.4
107.04964	5.5
107.08611	24.5
109.02877	8.2
109.06528	35.9
109.10156	6.5
111.04459	28.6
111.08078	10.3
113.06017	19.0
115.05418	9.4
116.06234	9.1
117.07024	21.2
118.08737	3.7
119.07783	6.9
119.08586	92.4
120.08105	59.5
121.02888	20.7
121.06512	46.5
121.10139	14.2
122.07180	3.7
123.04461	4.1
123.08078	26.9
123.77633	3.5
128.06239	5.4
129.06981	20.1
130.07767	5.6
130.90495	3.3
131.08580	50.2
133.06473	15.5
133.10182	19.0
135.07100	6.6
135.08067	92.0
136.07501	4.0
137.09598	16.7
139.03891	12.3
139.07555	9.9
141.06967	10.8
142.07788	14.6
143.08572	23.9
144.09370	11.6
145.06499	16.6
145.10153	32.6
146.07320	5.4
147.08066	45.4
147.11711	24.4
149.05974	4.6
149.09598	12.9
151.07454	6.5
152.70712	4.1
155.08540	13.0
156.09325	4.9
157.06456	6.8
157.10172	22.1
158.07260	29.8
158.10861	5.4
159.08084	42.0
159.11682	42.6
160.08870	6.7
161.06012	4.8
161.09637	43.0
161.13312	5.4
163.07509	4.8
165.09131	38.6
168.09370	11.8
169.10178	4.8
171.08052	10.9
171.11714	12.0
172.08824	25.3
173.09691	26.7
173.13293	27.0
175.07567	100.0
175.11166	42.2
181.06441	4.6
183.11674	17.0
185.09622	8.5
186.10417	9.2
187.11194	52.9
188.08438	4.8
189.09126	13.4
189.12741	17.1
193.08672	21.2
193.10057	5.0
196.08801	6.0
199.11189	14.8
201.12718	40.0
203.10672	57.8
205.12219	10.5
207.10135	4.7
211.11192	28.1
217.12251	32.0
218.79123	3.5
219.13950	9.2
229.12250	33.8
247.13275	56.4
265.11606	6.4
265.14346	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01868	3.4
55.05510	3.8
56.96569	48.6
57.03437	8.4
57.07053	1.2
59.04984	1.4
60.95844	1.4
61.02937	9.0
67.05505	2.9
69.03071	1.5
69.03436	22.3
69.07086	5.2
69.56889	1.3
69.57293	4.6
70.03764	1.0
70.06588	2.5
70.98139	1.1
71.05007	6.9
71.95266	2.4
72.08155	3.6
73.02923	10.4
73.06548	2.9
73.86076	1.0
74.00668	2.1
74.97629	1.8
75.04500	1.1
79.05499	1.8
80.05019	0.8
81.03431	13.3
81.04543	9.8
81.07101	2.0
82.06583	1.6
83.00814	0.8
83.01340	1.5
83.04990	2.6
83.41817	0.8
84.08145	3.2
84.96027	4.9
85.02913	35.9
85.06556	1.8
86.03253	1.7
86.09726	1.9
86.79314	0.8
86.97610	1.1
87.04475	6.7
91.03973	2.4
91.05491	3.5
93.07033	1.6
95.04993	4.4
96.05315	2.6
97.02906	24.3
97.06543	1.3
97.96803	1.0
98.03246	2.0
98.06068	1.7
98.21500	1.6
98.97591	100.0
99.04461	9.5
100.99164	1.5
101.00819	2.3
102.05548	3.3
102.09206	2.2
102.53137	1.8
102.96900	2.1
103.05483	1.1
103.09517	1.8
104.13625	0.8
105.03914	0.9
105.07043	1.3
107.04971	2.5
108.04549	0.9
109.02903	8.0
109.06525	1.1
110.01284	2.0
110.03138	1.7
110.97573	11.7
111.53690	1.7
112.07619	9.6
112.99139	8.7
113.06009	1.8
114.96974	0.9
115.00691	1.5
115.03941	1.5
115.08739	0.9
116.01358	1.1
116.98634	37.5
117.02034	1.3
117.16618	0.9
119.00233	1.1
119.01848	5.1
119.04944	3.1
119.08604	1.3
120.01183	6.5
120.97938	1.5
121.06533	1.7
121.10095	0.9
122.02810	1.2
122.07162	69.9
123.04503	1.3
124.31348	0.8
124.99111	2.8
125.04775	1.2
126.09109	0.9
127.00704	1.3
127.03921	8.8
128.02299	4.4
128.98615	12.5
129.02211	1.5
130.08646	12.3
131.00185	11.1
131.01773	1.8
131.04866	1.0
131.08882	1.3
132.98033	1.1
133.01746	1.4
134.99664	9.9
135.08080	1.8
137.02469	1.3
137.03549	1.1
137.06020	10.0
137.07082	1.5
138.02548	1.2
138.05470	0.9
139.03319	1.2
140.00218	1.5
140.02350	1.7
140.98570	2.0
141.05490	1.4
142.05804	2.3
143.00157	7.6
143.12630	1.9
144.04796	16.4
144.98103	2.3
145.01756	5.0
145.04982	4.1
146.02361	2.2
146.04137	2.1
146.99673	5.9
147.03215	4.4
147.04443	2.3
148.03896	4.1
148.04944	0.9
149.01230	7.5
149.09732	0.9
150.99065	1.3
151.07556	1.5
153.00732	1.1
154.03908	3.7
155.00250	1.1
155.02774	1.2
155.04691	9.7
155.54871	1.8
156.03339	14.9
156.98114	1.8
157.01767	3.6
157.03479	1.1
158.99675	12.9
159.03285	3.1
159.55582	1.2
161.01273	5.8
161.02502	1.2
161.04747	3.8
162.03648	1.0
162.99158	4.0
163.02766	2.5
163.04492	1.0
163.07484	1.6
164.05212	1.9
164.07112	1.2
165.54666	2.5
166.03854	1.7
168.03430	6.7
168.05481	3.5
168.20222	0.8
168.55971	2.6
169.01787	1.1
169.04518	4.3
170.03271	0.9
170.99687	3.4
173.01282	3.7
173.04732	1.2
174.04396	10.8
174.05756	1.3
174.55286	3.4
174.99124	3.2
175.02776	5.5
175.04469	7.4
176.03375	1.9
176.05099	1.6
177.00723	10.4
177.04265	5.5
177.05977	3.6
177.56384	0.9
178.03638	1.0
178.05003	7.4
179.00136	1.2
179.02353	2.2
181.00253	1.4
181.08609	3.0
182.03426	2.9
182.99706	1.3
183.56522	1.0
184.03296	1.3
184.04973	15.1
184.06618	2.3
184.55125	1.5
185.01149	1.1
186.04408	21.3
187.02800	2.6
187.04544	1.6
188.02330	1.9
189.00725	3.8
189.04317	2.1
191.02263	1.3
191.03873	1.2
191.05766	1.8
191.11786	6.7
192.05453	1.5
193.00191	3.0
193.03853	1.8
194.99707	0.9
195.55728	1.4
197.01186	1.4
198.04527	1.2
199.05521	3.3
200.04630	0.9
201.00691	4.1
203.02275	2.7
204.05473	10.4
205.00165	6.5
205.03854	3.6
205.05586	1.1
207.01813	2.9
207.05276	2.7
208.04884	4.4
209.01344	1.0
215.11090	1.9
216.05568	1.3
217.05476	1.7
219.01788	8.3
219.05304	2.5
219.11250	1.2
220.06300	5.5
221.03346	6.7
223.01266	5.0
223.04868	7.7
227.06833	3.8
228.05589	1.9
229.00272	1.4
231.01814	1.6
233.12038	4.7
235.02843	1.3
235.05267	1.0
237.02835	8.2
239.02254	1.3
239.04463	1.5
242.03410	7.2
242.07304	3.1
247.01216	1.8
247.04849	2.1
247.10722	2.2
249.02827	1.6
251.04384	1.9
253.03920	1.0
260.04486	6.8
264.59018	2.6
265.01889	1.3
265.05905	6.7
265.09348	1.7
265.11893	12.7
265.14868	12.3
265.18948	1.3
266.08484	1.8
266.13889	1.2
269.05493	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2323
Annotation	Victoxinine
Peak:m/z	Relative Intensity
51.31155	0.4
57.07093	0.5
58.06601	17.2
67.05489	0.6
69.07079	0.5
70.86829	0.6
70.87160	0.8
81.07053	2.4
84.04488	0.4
91.05476	0.8
93.07014	1.2
93.86960	0.4
95.08621	2.1
103.40281	0.4
105.07037	2.7
107.08588	1.8
108.08133	1.0
109.06523	0.5
109.10152	1.8
119.08610	1.1
120.30351	0.4
121.10133	1.1
123.11667	0.8
133.10135	6.4
135.11638	0.6
144.51170	0.4
145.10149	0.6
147.11694	1.8
149.13292	1.5
151.11179	1.3
163.14825	3.6
180.17494	0.4
189.16396	4.0
207.17419	1.0
212.52454	0.4
229.19487	0.5
246.22131	5.4
264.23233	100.0
265.23575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	22.9
60.79232	0.3
67.44468	0.3
70.34438	1.2
71.95261	1.3
72.96042	0.8
74.97623	2.5
78.49358	0.3
84.96022	0.3
86.97607	0.4
98.97589	100.0
110.97608	0.9
112.99147	1.3
114.97078	2.5
116.98627	29.2
126.97086	1.7
128.98633	1.1
131.00192	0.8
132.98114	2.2
134.99661	5.4
135.00606	0.5
138.97047	1.4
140.00215	0.6
143.00143	0.9
144.98079	4.2
146.99704	0.4
150.99205	1.1
153.00720	0.4
156.98103	2.6
158.99667	7.1
161.01239	0.8
162.99141	4.9
174.99155	6.0
177.00710	4.9
181.00209	1.8
186.99159	3.5
189.00764	0.8
193.00223	4.6
195.01768	0.5
198.99289	0.4
205.00214	13.5
207.01848	0.8
211.01340	0.5
217.00258	0.5
223.01277	5.7
241.02406	0.7
247.01396	1.0
261.03198	0.7
265.02423	1.5
265.05768	0.5
283.03452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01886	2.7
57.03421	0.6
61.88463	0.5
62.16205	0.5
63.98887	0.5
64.95646	0.5
67.05489	3.1
69.03427	1.3
69.07070	8.8
69.26447	0.5
69.40105	3.7
69.40514	1.3
69.77010	0.5
70.17094	0.5
79.05493	13.3
79.05956	0.7
79.32885	0.5
81.07063	1.7
91.05479	13.0
93.07043	0.8
95.04990	1.1
97.06534	100.0
98.06882	0.8
98.20772	1.2
105.04601	0.6
105.07043	0.8
107.04966	1.1
119.04949	9.1
131.08575	0.7
133.06525	1.3
135.04439	2.3
137.05983	70.8
137.76720	0.6
144.86945	0.6
147.04417	6.8
149.05978	2.2
161.09650	2.1
171.78328	0.6
173.06017	1.0
177.09114	1.0
189.09105	11.8
189.37363	0.6
191.10712	0.7
215.10670	3.8
233.11729	52.0
247.13318	6.8
264.15967	50.3
265.16202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.05502	2.6
56.05027	1.4
56.96573	5.7
57.03434	5.0
58.06588	2.8
59.04983	1.0
61.02920	0.9
67.05499	1.6
69.03415	3.2
70.06579	2.0
70.40521	1.7
71.04989	1.9
72.08149	3.0
73.02919	1.5
76.36001	0.7
79.05481	1.9
81.03422	3.8
81.07047	0.9
83.04992	8.0
84.08141	5.0
84.95996	0.8
85.02891	2.9
85.06541	2.8
85.08927	9.4
86.06051	1.8
86.09711	1.2
87.00828	1.2
87.08089	1.0
92.42358	0.7
93.40586	0.8
95.04974	41.2
97.02888	4.2
97.06547	5.7
98.09696	5.7
98.97603	9.3
99.04467	14.3
99.10512	0.9
100.07627	3.8
100.11253	1.7
102.09184	46.3
109.02862	2.4
109.06528	1.3
110.09714	1.4
110.97581	1.8
112.07579	0.7
112.99146	2.1
113.06016	22.3
116.98637	2.6
118.95598	0.8
119.01832	0.8
122.07085	1.3
123.04475	3.8
124.11234	4.3
125.05987	1.2
126.09151	4.8
127.03905	4.9
128.10692	3.5
128.98634	0.8
131.00188	1.5
138.02501	1.0
139.07600	1.0
141.05479	37.4
142.11243	1.5
142.12289	20.9
143.00150	1.7
151.03937	1.1
154.03818	0.9
155.00221	0.8
155.04651	1.0
155.07014	3.6
158.99654	1.4
159.06602	1.7
161.01247	0.7
168.10234	1.7
169.04924	1.9
170.05185	0.8
170.11765	2.9
172.09708	12.4
173.08090	1.8
173.96516	0.9
174.03723	1.0
177.04134	1.0
177.05759	0.9
183.04187	1.2
183.06560	1.5
185.03868	1.0
186.11252	10.4
189.04013	1.1
198.04745	2.9
204.12303	3.6
207.05246	3.2
210.04572	0.8
214.10742	14.5
218.13857	3.3
219.01794	1.4
232.11810	46.5
237.02815	1.1
246.13173	0.9
264.06842	2.5
264.14441	100.0
265.14767	2.0
269.05429	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.05510	1.7
56.05020	1.7
56.96564	6.9
57.03433	4.1
58.06591	3.1
61.02918	2.3
67.05498	1.3
69.03423	4.0
70.06582	2.4
70.51447	2.8
71.04992	2.0
72.08141	2.8
73.02918	1.2
79.05478	1.6
81.03419	4.1
82.06564	1.6
83.04994	7.3
84.04497	1.5
84.08140	5.2
85.01118	1.0
85.02907	5.9
85.06560	1.3
85.08934	9.5
87.08115	1.0
95.04974	41.3
97.02882	3.7
97.06535	6.9
98.09706	4.7
98.97016	1.0
98.97596	8.8
99.04457	14.7
100.07613	3.6
100.11238	2.0
102.09185	42.5
109.02879	2.3
109.06546	1.0
110.09667	1.2
110.97630	1.6
112.99107	2.4
113.06016	19.9
115.02434	1.0
116.98607	2.4
119.01841	1.4
120.01180	0.9
123.04434	4.4
124.11200	4.4
126.09157	3.7
127.03932	4.6
127.93199	1.0
128.10710	4.2
128.98627	1.2
131.00186	2.1
131.52335	0.9
139.07555	1.0
141.05469	32.8
142.11250	1.3
142.12288	20.7
143.00153	1.6
143.01967	1.3
147.04993	1.0
149.01212	1.0
155.01602	0.9
155.07031	3.8
158.99687	1.5
159.06560	1.5
161.02939	1.5
161.05577	2.3
162.03215	1.2
168.10207	2.3
169.04761	1.7
170.06099	1.4
170.11760	3.8
172.09694	10.6
173.02783	1.2
173.08089	1.0
178.04913	3.7
186.11272	9.8
204.12305	4.0
214.10776	11.3
218.13895	2.5
219.01585	1.4
232.11806	41.0
264.14438	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	264.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.8
55.05511	0.9
55.44505	0.8
56.96568	100.0
57.03421	1.0
61.11853	0.7
66.86576	0.9
67.77386	0.7
69.03423	1.6
69.07069	1.2
70.05437	1.7
70.05829	2.3
70.06619	0.9
71.95262	2.1
72.08141	1.0
72.96059	4.2
74.97601	0.9
80.49436	0.7
81.03384	1.0
81.17927	0.8
83.97623	3.6
84.08131	1.0
84.96048	1.1
85.02907	1.0
85.06505	0.8
86.09709	4.9
95.04975	3.9
97.02904	1.2
97.06503	1.0
98.09684	1.0
98.97592	20.5
99.04478	2.4
102.09180	5.4
110.97594	1.2
113.06016	2.0
116.98624	6.6
120.08108	1.1
121.25585	0.8
130.06551	0.9
131.06802	0.9
134.99666	0.9
141.05447	2.7
142.12279	1.8
142.28293	0.8
144.96828	1.9
148.07707	0.8
149.02771	1.4
158.99611	1.3
162.05411	1.0
163.00694	0.9
164.52087	0.9
165.02274	3.5
167.03836	1.4
169.01781	0.9
176.03853	15.7
177.00723	0.9
177.02173	1.5
178.05409	11.3
181.01733	2.0
183.03271	5.4
186.02249	1.2
186.11212	1.1
190.01796	1.8
192.03320	2.7
194.04980	5.0
196.06474	4.1
197.01254	1.2
201.04404	4.0
204.03302	13.3
205.07120	1.1
208.02847	7.8
214.10831	1.1
218.08099	1.0
219.03456	0.9
222.04390	79.9
223.04979	1.0
226.03865	2.3
232.11864	4.2
240.05453	50.1
245.05942	1.6
264.05457	17.3
264.08432	0.9
264.14413	10.1
264.17999	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	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03939	2.4
55.05512	15.4
57.03444	1.3
57.07074	11.4
64.19171	1.0
65.03939	1.8
67.05508	82.4
69.07075	15.8
69.83768	5.7
71.04961	1.5
71.08656	6.0
71.28084	1.1
79.05491	21.4
81.07060	100.0
83.04984	2.3
83.08618	12.6
85.06510	2.6
85.10163	2.8
91.05483	18.8
93.07049	23.2
95.04935	2.1
95.08609	87.0
97.06534	6.8
97.10162	5.1
99.08078	5.1
104.99278	7.0
105.07037	12.2
107.08598	15.1
109.10161	46.2
109.10910	2.1
111.08114	5.4
113.09650	3.2
119.08597	12.6
121.10142	15.4
123.08066	2.8
123.11710	16.9
133.10141	12.7
135.11705	10.4
137.09581	2.5
137.13248	8.0
141.12746	1.4
142.75093	1.3
147.11693	11.6
149.13271	9.1
151.14825	8.1
155.14336	1.6
161.13287	8.9
163.14853	7.8
165.12675	1.3
165.16383	9.4
167.14366	1.2
175.14845	6.2
177.16438	2.1
179.17960	3.3
189.16423	3.9
191.17911	1.2
203.17958	2.5
217.19563	1.3
232.77769	1.2
245.22652	26.9
252.88644	1.3
263.23721	64.2
277.66437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03947	1.6
54.85977	1.4
55.05292	1.6
55.05518	16.1
57.07082	11.1
58.02895	1.2
65.03931	2.2
67.05512	90.3
69.07079	16.7
71.04995	2.4
71.08624	5.3
79.05504	22.8
81.07063	100.0
83.08627	14.2
85.06538	3.9
85.10175	2.8
91.05479	17.3
93.07055	27.5
95.04948	1.8
95.08619	85.3
95.34544	1.2
95.85280	1.9
97.06545	8.1
97.10186	8.9
99.08074	5.1
104.99296	7.2
105.06473	1.5
105.07056	14.1
107.08598	13.7
109.06562	2.1
109.10168	45.0
111.08088	5.3
113.09663	2.4
119.08607	13.0
121.10153	20.2
123.08012	1.6
123.11733	18.2
124.76028	1.3
125.09696	1.9
127.11159	1.6
133.10150	16.5
135.11716	10.8
137.09557	3.2
137.13249	9.0
147.00476	1.3
147.11690	10.5
149.13289	7.2
151.14864	6.2
152.50870	1.3
158.43243	1.4
161.13283	10.7
163.14836	7.7
165.16415	7.6
170.30865	1.4
175.14859	7.3
177.16426	2.4
178.07761	2.3
179.18050	1.6
181.15790	1.2
189.16400	3.7
197.31378	1.3
203.17915	1.6
245.22636	26.9
263.07336	2.1
263.23730	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.15947	4.0
55.05492	19.3
55.58039	3.9
57.07066	12.9
67.05508	39.2
69.07066	29.1
71.04984	7.1
71.08635	5.5
71.55975	3.7
73.41255	4.5
79.05486	19.1
81.07059	100.0
83.04966	4.0
83.08591	12.0
85.06529	11.9
91.05478	14.4
93.07056	43.7
95.08041	8.0
95.08610	95.2
97.10191	10.6
99.08061	5.6
104.99251	7.7
105.07025	23.3
106.46937	4.3
107.08600	51.9
109.06487	4.6
109.10168	59.9
113.09656	8.9
117.06996	5.0
119.06171	5.2
119.08588	32.7
121.10157	46.9
123.11707	40.5
125.09595	9.4
133.10138	21.0
135.11693	34.3
137.13257	28.8
139.11130	7.4
143.08374	4.7
147.11694	21.2
149.13266	35.9
161.13254	17.0
163.14827	14.7
168.60242	4.6
175.14810	20.7
189.16342	24.4
203.17824	10.1
205.19576	12.7
245.22679	58.5
263.23788	37.3
271.60712	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	263.2007
Annotation	(1R,2R)-1,2-Dimethyl-2-(4-methyl-1,4-cyclohexadien-1-yl)cyclopentanemethanol acetate
Peak:m/z	Relative Intensity
50.72404	2.1
55.05514	11.2
57.07073	8.8
59.50543	2.3
67.05511	16.8
69.07069	43.7
71.04994	3.0
76.78795	2.2
79.05499	15.7
81.07060	33.2
81.22986	2.0
83.04970	2.7
83.08636	12.1
88.00159	2.0
89.97398	2.2
91.05482	19.3
93.07050	52.9
95.05000	4.5
95.08609	41.4
97.06532	7.3
97.10178	6.8
104.99281	29.0
105.07034	70.6
107.07932	4.0
107.08598	32.7
109.06544	5.1
109.10155	36.4
111.08089	3.4
111.11724	3.2
117.07074	4.5
119.08582	79.7
121.02642	2.4
121.06528	4.9
121.10149	23.4
123.08108	2.7
123.11684	17.1
125.13309	3.2
129.07051	2.3
131.08589	4.9
133.10138	67.8
135.08063	3.0
135.11711	9.8
139.07545	27.6
143.08534	4.4
145.10135	16.1
147.11691	100.0
149.13242	12.8
151.07558	3.0
153.09100	6.4
159.11742	2.8
160.12459	2.3
161.09552	3.0
161.13271	29.2
163.14838	2.8
165.09148	4.3
167.10725	4.2
175.14732	2.7
178.47295	2.6
179.10710	29.0
181.12239	3.8
182.78224	2.4
185.13339	2.9
189.12785	7.5
193.12230	11.2
201.16440	4.7
203.17967	96.4
207.13802	38.2
221.15356	2.9
245.19057	8.3
263.07159	4.0
263.10574	2.5
263.17432	4.1
263.20065	53.3
281.73532	2.5
283.01828	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2008
Annotation	(1R,2R)-1,2-Dimethyl-2-(4-methyl-1,4-cyclohexadien-1-yl)cyclopentanemethanol acetate
Peak:m/z	Relative Intensity
50.50148	2.1
53.03936	4.2
55.05518	16.9
56.96550	9.2
57.07064	9.6
60.95851	2.9
67.05503	24.5
69.07069	45.9
70.94715	2.9
70.95039	3.3
74.34498	2.1
79.05492	35.4
81.07061	40.9
83.04955	3.9
83.08627	16.2
91.05487	33.1
93.07048	79.1
93.95702	2.3
95.04962	5.3
95.08609	64.0
97.06523	9.4
97.10177	3.8
104.98622	4.6
104.99274	60.2
105.07034	92.9
107.08600	53.1
109.06514	9.3
109.09453	3.9
109.10159	43.7
111.11633	2.9
117.06997	5.1
119.08581	88.6
119.28113	2.4
121.06479	3.2
121.10142	38.6
123.08064	4.1
123.11704	17.3
125.13213	4.0
126.82164	2.4
129.07016	3.4
131.08578	8.5
133.10136	64.2
135.11697	14.9
137.09563	5.2
139.07541	28.0
143.08600	4.1
145.10115	12.7
147.08005	3.8
147.11690	100.0
147.86018	2.2
149.09625	2.8
149.13266	10.6
151.07565	3.5
153.09102	8.5
157.10110	3.7
159.11685	5.9
160.12572	2.5
161.02965	2.5
161.13254	24.6
165.09140	2.4
167.10748	3.9
168.00194	2.4
175.11172	5.0
175.14821	6.5
179.08539	3.7
179.10661	26.9
181.12186	4.4
185.13150	4.3
189.12715	7.6
193.12224	8.1
201.16338	3.2
203.07071	2.6
203.17960	95.3
207.13774	33.4
221.15395	3.8
221.18916	2.5
227.17931	3.7
235.07314	3.5
245.19019	9.8
263.07101	3.0
263.16708	6.9
263.19983	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
56.05042	21.1
56.05832	1.3
58.06600	2.6
58.99589	1.1
59.07387	1.3
60.08169	73.0
61.01157	11.4
68.05009	1.0
70.06606	1.5
74.06076	2.2
78.03342	0.9
83.19827	0.9
85.02921	1.7
86.06077	0.9
86.09716	4.2
86.99137	0.9
87.37447	1.1
91.05457	2.0
91.41961	1.2
97.02878	1.1
98.97623	1.6
102.05588	1.6
104.05338	30.5
105.07044	1.1
107.39754	1.0
112.54893	1.0
115.05468	2.2
116.01679	2.2
116.07079	1.7
117.02020	1.9
118.06550	2.7
118.08617	1.3
120.08138	4.8
128.06273	0.9
130.06540	100.0
131.08633	1.1
132.04460	23.9
132.06575	1.7
132.08119	4.8
132.10184	2.4
137.05977	1.8
143.08450	1.2
146.06053	5.7
147.04549	1.2
148.07573	9.7
157.07564	1.6
158.06024	96.1
161.10794	1.0
162.02171	1.3
175.07541	1.2
176.07091	17.3
186.05522	49.1
188.07063	5.8
199.12315	3.9
203.07335	1.1
204.06577	50.2
215.13948	2.2
217.13483	3.5
229.14754	1.5
230.27437	1.2
245.12921	8.9
263.13953	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	263.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45174	1.0
56.96555	2.5
58.06595	3.9
59.07388	1.7
60.08169	83.8
68.34068	0.8
68.75144	0.8
69.03457	1.1
69.93958	0.8
70.20374	2.8
83.08585	1.3
85.02886	1.6
88.25939	1.0
91.05476	1.4
91.97990	0.9
97.02932	0.9
98.97588	3.7
103.05429	1.4
104.04987	1.6
118.08671	2.2
120.08121	5.1
130.06538	85.3
130.08598	2.9
131.04918	1.5
132.04463	79.2
132.08058	1.3
140.51595	1.0
143.08583	0.9
148.07582	23.1
148.08693	1.6
156.97557	0.9
157.06441	1.3
158.06026	58.6
158.99687	1.2
160.07578	2.0
162.55905	1.1
174.06786	1.1
176.07083	61.2
186.05521	10.4
191.05717	2.3
204.06577	93.0
219.01909	1.0
230.19307	0.9
245.12880	1.4
263.13937	100.0
264.14340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10086	9.0
56.96566	55.3
70.88084	17.2
76.01165	7.5
76.03977	9.6
83.04977	13.2
85.02887	14.0
87.08112	8.5
98.09683	13.3
98.85146	7.1
98.97599	86.0
100.99122	7.9
101.00909	43.5
102.09174	10.0
104.10754	18.2
110.88144	8.1
110.97572	15.1
112.33591	8.9
112.99130	9.1
113.00879	12.8
113.06026	8.5
116.82082	8.3
116.98614	22.8
119.01908	26.6
128.10719	11.0
128.98544	11.2
131.00183	16.1
131.01889	26.0
143.01926	55.8
155.01808	10.4
158.11819	16.0
158.99663	19.0
161.02972	100.0
173.02968	31.7
174.11237	14.1
175.02745	9.7
186.07564	8.8
188.12816	15.1
191.04030	14.8
203.04066	16.1
218.10146	14.2
219.01682	10.1
221.03259	13.6
231.03503	11.5
231.13397	11.3
263.01636	22.4
263.05978	17.6
263.16031	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77396	4.3
56.96569	68.2
57.03446	4.8
61.02918	6.4
61.86668	3.9
69.03439	11.2
69.86098	11.5
69.86508	11.7
70.06586	4.4
70.23625	3.9
70.98096	5.1
71.04966	4.8
81.03407	6.3
83.04951	5.2
84.08170	6.0
84.96010	10.4
85.02905	18.8
95.04946	8.8
96.97160	4.6
97.02892	13.6
98.97591	100.0
100.99162	10.6
101.00898	24.0
102.09171	6.0
102.34410	4.9
109.02904	7.3
110.97573	9.3
112.07511	5.4
112.99129	20.0
113.00869	7.5
116.98618	32.7
119.01905	24.4
124.99160	4.6
128.98622	10.9
131.00188	11.9
131.01903	14.6
132.98123	7.0
133.03444	7.7
134.99582	8.5
143.00238	8.5
143.01898	31.8
145.01643	5.7
149.01204	10.2
155.01852	4.5
157.01756	7.5
157.03458	5.0
158.99669	23.6
161.01340	7.1
161.02950	49.0
161.05574	10.7
163.02794	9.4
168.78735	4.6
172.09607	4.7
173.01300	4.2
173.02957	19.8
175.02776	9.6
175.04280	6.2
177.00713	13.9
178.04907	6.8
185.02951	6.6
188.12782	5.7
188.97156	7.0
189.00745	10.5
191.02338	7.7
191.04016	11.1
191.05573	5.2
198.99043	4.7
202.98598	8.0
203.02271	4.9
203.04045	15.3
207.01775	7.7
219.01976	8.7
220.99687	5.1
221.03215	9.3
230.98148	7.8
232.11743	7.0
263.01529	20.0
263.06216	15.6
263.10031	7.6
263.16254	8.7
264.14374	10.9
266.10056	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	262.2168
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
52.07982	0.3
55.05491	1.1
56.96542	0.5
57.07068	0.9
58.06596	0.9
60.04500	0.4
67.05500	0.9
69.07065	2.1
70.06583	0.8
71.24567	0.4
72.08144	1.4
73.06531	0.6
79.05485	0.8
81.07037	1.8
83.08617	0.4
91.05477	2.8
93.07053	2.1
95.08623	2.4
96.08129	1.4
105.07034	5.2
107.08609	1.9
109.10175	0.9
112.11227	0.6
114.09164	0.4
117.07008	0.7
119.08599	3.7
121.10134	1.9
122.09711	0.4
129.06926	0.4
131.08562	3.4
133.10143	2.9
143.08530	1.1
144.08029	0.7
145.10123	3.8
147.11679	5.4
148.11192	0.9
149.13246	0.6
158.09613	0.7
159.10471	0.6
159.11699	1.6
160.11223	0.6
161.13252	1.2
162.12747	0.7
163.11188	0.5
171.11684	1.6
172.11072	0.5
173.13248	1.3
174.12743	0.5
175.14890	0.5
176.14297	0.7
185.13271	0.9
186.12781	2.4
187.14850	4.0
188.14362	1.8
189.15181	0.6
190.16008	0.4
192.13751	0.5
200.14345	2.0
201.15067	2.0
202.15912	2.1
203.18001	3.9
204.17429	0.6
205.15910	0.9
216.17476	1.4
217.19562	0.8
227.17947	1.2
229.18242	2.4
244.20621	58.4
245.20935	1.0
262.21671	100.0
263.22098	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	262.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94907	0.3
55.05507	1.3
57.03457	0.3
57.07073	0.8
57.46345	0.3
58.06599	0.8
65.72073	0.3
66.64979	0.3
67.05499	1.0
69.07072	1.6
69.60242	1.7
70.06596	0.7
72.08159	1.5
73.06532	0.7
79.05489	1.3
81.07062	1.6
83.08641	0.3
84.04505	0.4
91.05476	1.3
93.07051	2.4
94.06555	0.9
95.08617	2.4
96.08133	2.1
98.09689	0.4
98.21462	0.6
104.99294	0.7
105.06374	0.6
105.07037	6.7
107.08585	2.1
108.08115	0.4
109.10160	1.1
110.09753	0.4
112.11232	1.0
114.09133	0.4
117.07018	0.8
119.08577	3.2
121.10140	1.7
131.08594	2.7
133.10141	2.5
136.11188	0.4
143.08568	1.0
144.08093	1.2
144.09279	0.3
145.10136	4.0
147.11697	4.8
149.13263	0.7
151.11166	0.5
157.10143	0.7
158.09642	0.7
159.11670	2.2
160.11235	1.4
161.13266	1.5
171.11684	1.4
172.11209	0.3
173.13388	0.8
175.14877	0.6
176.14355	0.6
185.13249	1.2
186.12779	2.5
187.13417	0.5
187.14867	4.1
188.14369	1.7
190.15913	0.4
192.13800	0.8
200.14334	1.6
201.15059	2.5
201.16580	0.3
202.15887	1.9
203.17982	3.3
205.15924	0.5
214.15897	0.6
216.17487	1.7
217.19432	0.4
219.16241	0.6
226.00122	0.3
227.17961	1.1
229.18224	2.0
236.43304	0.3
242.19092	0.6
244.20628	61.4
245.20944	1.1
262.21683	100.0
263.22058	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2167
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05521	5.3
57.07065	1.6
58.02700	1.6
58.02966	22.6
58.06589	4.8
60.04531	35.5
65.03974	1.2
66.34491	1.2
67.05514	5.3
68.60815	1.2
69.07079	10.8
69.87814	1.2
70.06557	1.6
70.15813	2.8
70.16214	2.0
79.05469	5.5
80.77636	1.1
81.07058	17.7
83.08580	1.6
91.05476	9.0
92.00676	1.3
93.07058	13.6
95.04979	2.5
95.08617	13.0
97.06509	1.7
97.10157	2.3
98.06086	1.5
103.05460	1.6
105.07037	87.8
107.08607	11.8
108.08082	1.4
109.06514	7.2
109.10159	18.3
111.11731	1.3
116.55927	1.1
117.06995	5.4
119.08590	92.8
120.08897	1.4
121.06492	3.1
121.10153	27.3
123.11723	8.2
123.66122	1.1
128.14343	2.2
131.08583	7.4
133.10118	20.6
134.95946	1.1
135.11729	6.3
137.08212	4.3
143.08598	4.3
145.10146	3.7
147.11693	24.9
149.09703	1.4
149.13252	6.0
157.10114	1.8
159.11661	2.3
161.08215	3.3
161.09628	3.1
161.13290	6.8
171.11777	1.4
175.14859	2.5
179.09222	1.9
185.13290	1.3
187.14819	3.6
189.12810	1.9
203.17966	37.6
205.19539	4.1
217.19537	2.6
220.20605	3.2
227.17947	2.2
244.20718	1.5
245.15266	1.5
245.19102	6.3
262.14307	3.2
262.18176	7.7
262.21674	100.0
263.21841	1.5
266.45062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2167
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
53.03944	1.0
55.05511	4.1
57.07065	1.2
60.04263	0.4
60.04533	6.5
65.03955	0.4
67.05508	8.3
69.07069	8.4
69.41464	3.0
70.06596	17.0
79.05497	3.8
81.07060	13.6
83.04739	0.3
83.08621	1.9
84.08150	0.5
91.05487	5.1
93.07051	19.7
95.05006	0.4
95.08613	17.6
96.08108	1.2
97.10171	1.0
104.99258	1.0
105.07037	28.7
107.08602	14.3
109.06487	0.5
109.10164	18.3
109.10919	0.9
110.09628	0.4
112.07604	4.3
117.07019	0.5
119.08587	28.9
121.10146	8.7
123.11722	6.7
131.08577	0.8
133.09105	0.6
133.10138	11.9
135.11703	7.3
136.11168	0.4
138.12788	1.8
145.10136	1.7
147.11690	17.2
159.11656	0.6
160.12483	0.4
161.13269	13.6
175.14832	3.2
203.17981	6.6
205.05283	0.4
220.20613	1.1
247.12057	0.5
262.14410	2.1
262.21674	100.0
263.22070	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2168
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
50.36486	0.8
55.05514	2.0
57.07079	1.3
58.02687	1.3
58.02963	17.8
58.06601	1.6
60.04512	3.5
66.40850	0.8
67.05503	4.5
69.07074	7.7
79.05486	3.0
81.07061	21.3
83.08622	1.8
91.05471	3.1
93.05773	1.0
93.07057	9.2
95.04951	3.2
95.08620	10.3
97.10191	1.2
100.48660	1.2
105.07036	13.6
107.08610	10.1
108.08106	1.9
109.10177	10.7
112.83360	1.0
119.08595	15.8
121.06486	1.7
121.10176	10.3
123.11703	4.0
129.06973	0.9
131.08575	2.2
133.10143	9.1
135.11685	6.5
137.13310	0.9
143.08540	2.5
145.10155	2.9
147.11690	17.3
149.13248	14.8
152.14326	2.7
157.10109	3.0
159.11682	2.9
160.12434	1.4
161.13263	10.0
163.14844	1.1
171.11708	2.9
175.14862	2.0
185.13304	1.3
187.14764	1.1
203.17972	47.8
204.18445	1.2
205.19539	12.3
217.19495	1.1
227.17961	3.5
229.03795	1.0
234.22122	2.2
244.20686	2.6
245.19060	2.9
262.21689	100.0
263.21982	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.05502	6.5
56.05035	1.9
57.07064	5.4
58.02723	1.6
58.02968	13.8
58.06614	8.1
60.04254	2.1
60.04529	26.0
61.93645	1.4
65.03925	1.9
67.05505	13.9
69.07072	13.7
70.03144	2.1
70.03481	6.7
70.06603	10.7
79.05495	8.7
81.07064	19.9
83.08633	2.9
84.08144	37.1
84.52106	1.6
86.06073	25.8
86.09737	1.5
88.07619	1.9
91.05500	11.2
92.41339	1.4
93.07057	19.4
95.04953	2.3
95.08620	20.7
95.74124	1.6
96.08139	2.8
97.06519	1.6
98.06065	38.5
105.07040	26.7
107.08600	14.9
108.08112	6.1
109.10165	13.0
110.06032	5.0
110.09637	1.9
112.07617	1.9
115.05489	1.8
117.07015	3.4
119.08597	30.0
121.06524	2.3
121.10164	14.2
122.09634	2.1
123.08007	1.9
123.11688	5.8
126.09250	1.7
131.08597	4.1
133.10147	8.4
134.09610	1.5
135.08061	1.9
135.11740	8.0
136.11223	2.5
137.08231	3.7
137.95531	1.6
142.07741	2.3
143.08565	5.4
145.10126	11.6
147.11708	9.4
149.13261	4.2
152.10779	1.6
156.09319	1.5
157.10112	3.4
159.11691	8.9
161.08289	3.0
161.13243	4.8
171.11703	4.9
173.13298	2.6
175.14859	2.0
177.12747	2.1
179.09218	1.7
185.13268	3.2
187.14822	3.1
189.12625	2.1
194.15376	3.4
203.17949	6.3
204.17442	4.2
206.15379	2.3
217.19437	1.8
227.17972	3.9
234.18570	2.4
234.22200	1.9
244.20691	4.9
245.19054	2.2
262.14340	3.7
262.18140	11.5
262.21680	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	262.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
56.05026	1.9
57.07070	1.8
58.06589	1.6
67.05509	5.2
69.07066	5.4
69.96803	3.6
72.57069	1.0
74.06081	1.7
76.51835	0.9
79.05486	3.3
81.07064	7.2
83.08619	1.5
88.07649	5.6
91.05487	7.0
93.07017	5.5
95.08617	25.6
105.07037	26.0
107.08584	8.4
109.10139	10.1
119.08601	11.6
121.10159	11.5
122.08061	1.1
123.11668	1.3
131.08572	3.6
133.10144	29.3
135.11646	2.2
145.10109	2.8
147.11699	15.7
161.13260	13.2
175.14822	5.8
187.84180	1.0
203.17969	100.0
214.21600	6.6
244.10480	1.7
244.20604	7.0
253.48732	1.1
262.11667	6.6
262.14227	1.3
262.21631	29.1
262.23898	14.1
262.26404	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	262.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.5
57.07069	5.3
58.02687	2.7
58.02964	30.6
58.06592	7.5
60.04522	13.9
62.02909	1.9
62.69029	1.9
65.03931	2.3
66.77280	1.9
67.05509	14.5
68.05035	2.1
69.06763	1.8
69.07075	15.8
70.06586	6.8
70.69750	3.9
71.45130	1.7
75.67915	1.9
79.05487	6.6
81.07067	24.2
84.08148	54.0
86.06072	6.7
86.73096	1.8
91.05510	9.6
93.07041	16.9
94.06579	2.2
95.04995	3.1
95.06071	2.7
95.08614	19.0
98.06067	18.7
98.09665	2.2
100.07639	2.3
105.07045	31.9
107.08588	13.9
108.08090	4.0
109.10147	12.3
110.06057	3.6
110.09702	10.6
111.11640	2.3
117.06931	2.2
119.08592	44.2
121.10155	18.8
122.09641	2.4
123.08097	2.4
123.11711	6.7
123.14521	2.2
131.08563	5.9
133.10141	8.8
135.11694	5.3
136.11273	2.2
137.08221	5.8
143.08458	2.8
145.10062	6.2
145.11119	2.1
147.11684	14.7
149.13246	5.7
157.10204	3.7
159.11684	5.7
161.08287	12.2
161.09422	2.1
161.13306	5.3
163.14810	2.3
171.11720	4.3
175.14848	2.9
179.09291	6.1
185.13324	5.3
188.97026	2.0
203.17984	21.3
205.19569	3.6
227.17973	3.1
232.20529	4.5
234.22079	3.6
244.20734	3.6
246.15976	2.1
254.83153	2.2
262.14325	11.9
262.18073	10.7
262.21692	100.0
269.25302	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	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	3.6
55.05516	15.6
57.03432	2.8
57.07050	4.8
65.03928	1.7
66.53608	1.3
67.05507	39.8
67.74951	1.0
68.11732	1.0
69.03419	1.9
69.06759	1.4
69.07068	13.7
69.52522	1.6
69.52925	8.0
71.04987	2.7
73.11398	1.2
79.05499	59.8
81.07063	54.9
83.08629	8.0
85.06544	3.6
91.05482	30.8
93.07053	73.5
95.04966	3.3
95.08613	39.9
97.06531	3.1
97.10213	2.4
99.08094	3.5
105.07038	24.1
107.08599	44.1
107.27213	1.1
109.06538	3.0
109.10162	17.1
111.08082	2.6
117.07033	9.1
119.06119	1.3
119.08590	17.0
121.10151	43.2
121.11026	2.3
123.08046	1.8
123.11704	4.9
127.29451	1.2
129.06950	1.5
131.08588	14.8
133.10136	14.0
135.08072	1.3
135.11708	35.8
136.59113	1.3
137.09593	2.6
137.13242	1.5
143.08603	1.3
145.09038	1.9
145.10129	16.9
147.11700	13.9
149.02328	1.5
149.12158	2.2
149.13263	27.1
151.11115	1.5
158.06020	1.6
158.73703	1.1
159.11676	10.0
161.13297	11.7
163.11246	1.7
163.14816	17.4
165.12837	1.8
173.13252	11.1
175.14883	6.4
177.16409	5.8
179.14279	2.4
186.89313	1.3
187.14911	6.6
201.16425	3.2
203.07022	1.8
215.17998	1.5
243.21112	30.5
261.11319	3.5
261.22162	100.0
262.22092	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60334	1.1
53.03941	2.1
55.01868	1.4
55.05514	6.1
56.05014	1.3
56.96567	13.4
57.03434	3.4
58.06595	5.5
67.05502	1.7
69.03416	3.2
69.07059	2.5
70.06577	3.8
71.04987	2.3
71.39456	2.2
71.73336	1.1
72.08157	10.3
73.02928	1.9
79.05486	5.4
81.03434	5.9
81.07056	2.2
82.06596	2.1
83.04990	12.5
84.08145	8.4
85.02909	11.1
85.06535	5.0
85.08532	1.3
85.08938	18.2
86.06059	3.4
86.09702	1.9
87.08101	2.2
93.07041	2.0
94.68915	1.5
95.04973	2.2
95.08597	3.6
96.08138	1.9
97.02342	1.2
97.02887	5.0
97.06536	42.9
98.09673	7.0
98.97586	15.9
99.04474	7.3
100.07613	9.0
100.11245	2.4
101.04202	1.1
102.09190	43.0
102.45975	1.1
107.04944	2.1
108.08081	1.4
109.02869	3.2
110.09679	2.9
110.97592	2.5
111.08137	1.8
112.07593	2.5
112.99126	1.6
113.06008	29.0
115.07527	1.3
116.10693	1.8
116.98631	5.3
117.08695	1.2
123.08082	9.2
124.07596	2.4
124.19530	1.2
125.06007	10.5
126.09160	18.9
127.03924	3.6
128.10730	13.0
130.06586	1.8
130.08636	2.4
131.00189	1.8
139.07550	35.9
144.10222	2.9
147.04536	1.1
158.11818	1.6
158.99644	3.4
161.04752	2.0
167.07076	9.3
170.99673	1.6
172.09691	27.1
173.04607	2.2
175.04378	1.4
177.00679	1.3
184.05034	1.4
184.13338	7.3
187.02815	1.9
190.04942	2.7
204.12325	97.5
212.12808	11.1
216.15936	7.0
219.01746	1.8
230.13884	25.8
239.02376	1.5
244.15440	2.8
262.07224	3.1
262.16513	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	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02384	0.8
53.03949	3.0
55.01874	0.6
55.05519	13.6
57.03445	2.0
57.07088	3.7
60.98177	0.7
65.03938	1.8
67.05511	44.7
69.06712	1.0
69.07073	14.4
69.87144	3.0
71.05009	2.8
71.08623	1.3
73.49567	0.6
73.54575	0.6
77.03916	0.8
79.05500	55.8
81.07065	53.6
83.08628	7.0
85.06557	4.3
91.05488	29.5
91.06073	1.0
93.07053	76.8
94.07406	0.9
95.04982	3.5
95.08617	35.2
97.06522	2.7
97.10139	2.9
98.20672	0.7
99.08092	3.9
105.04546	1.2
105.07042	22.7
107.08604	49.6
109.06526	2.1
109.10166	14.8
111.08099	4.0
111.11768	0.6
113.09638	1.0
117.07033	7.6
117.83297	0.5
119.06062	0.7
119.08600	18.0
119.09465	0.9
121.10155	42.8
123.08092	2.2
123.11720	4.9
125.09623	1.5
129.06998	0.8
131.07594	0.8
131.08580	16.6
133.10153	13.4
133.11148	0.5
135.11705	33.6
137.09622	2.2
137.13261	1.5
139.11197	0.8
145.10135	15.9
147.11700	12.8
147.12785	1.0
149.13268	24.9
151.11226	1.4
151.14789	0.7
153.12732	1.1
159.11713	10.7
161.13266	13.3
163.11156	0.7
163.14833	21.1
165.12796	0.9
173.13281	10.4
175.14870	5.1
177.16383	5.2
179.14305	1.5
185.13191	0.6
187.14842	6.5
189.16397	1.3
191.14473	0.6
193.15816	0.6
201.16420	3.7
203.17972	1.6
205.04974	1.7
205.15868	1.2
215.18021	1.9
216.68234	0.6
217.19568	0.8
219.17445	1.4
230.65662	0.6
233.22693	1.5
241.76965	0.6
243.21107	32.9
244.50117	0.6
261.11203	1.5
261.22165	100.0
262.22421	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.03939	3.9
55.01892	0.7
55.05265	0.9
55.05514	13.5
57.03443	0.9
57.07082	3.8
58.93940	0.7
65.03941	1.9
67.05505	41.9
69.06728	1.0
69.07073	15.3
69.63215	4.3
71.04980	2.2
71.08629	1.5
77.03931	0.9
79.05496	57.2
81.07059	46.1
83.05009	0.8
83.08621	6.6
85.06554	3.7
91.05486	28.2
93.07048	75.3
95.04993	3.5
95.08609	36.3
95.09091	0.7
95.09231	1.4
96.59636	0.7
97.06548	3.7
97.10164	3.4
99.08118	4.7
103.05457	0.7
105.04522	1.4
105.07034	18.2
107.08598	46.6
109.06509	1.7
109.10169	14.6
111.08080	3.8
113.09663	1.2
117.07014	7.0
119.06113	0.9
119.08588	16.1
121.10146	44.8
122.10527	0.8
123.08043	2.4
123.11701	5.4
125.09599	1.5
131.08580	14.2
133.09215	1.2
133.10138	13.6
135.08066	1.3
135.11699	35.0
137.09613	1.6
137.13261	1.6
139.11273	0.8
145.09016	1.3
145.10133	15.7
147.11702	11.1
149.09656	1.2
149.13263	26.5
151.11188	1.3
159.11696	11.0
161.13252	12.2
163.14825	21.8
165.12767	1.7
173.13269	10.3
175.14819	5.8
177.16345	4.9
179.14308	1.3
183.45102	0.8
187.14830	8.4
191.14308	0.7
198.86710	0.7
201.16383	4.2
203.17979	1.1
204.13889	0.8
205.04958	2.7
215.17924	1.8
219.17389	0.9
233.22708	1.8
243.21088	32.1
254.54767	0.9
261.11203	1.4
261.22156	100.0
262.22348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03944	3.7
55.05265	1.0
55.05513	13.0
57.03424	2.1
57.07077	4.2
59.04980	0.6
65.03933	1.8
67.05508	38.5
69.07069	11.6
69.83213	0.5
69.87427	2.5
71.04993	2.5
71.08636	1.1
77.03890	0.9
79.05495	57.1
81.07061	48.5
83.04977	1.4
83.08618	7.2
85.06556	3.1
91.05483	28.7
93.07050	71.3
95.04990	3.3
95.08613	32.7
97.06516	2.9
97.10197	3.2
99.08088	2.5
99.61679	0.7
105.04488	1.2
105.07035	19.9
107.08601	46.9
107.88546	0.8
109.06471	1.5
109.09457	0.9
109.10165	13.6
111.08104	3.0
111.11713	0.9
113.09672	1.3
113.73561	0.6
117.07026	6.2
119.08580	16.5
121.10149	39.7
123.08067	2.1
123.11713	4.5
125.09653	1.5
129.07027	1.3
130.07820	1.0
131.08574	13.9
133.10133	13.8
135.08073	0.6
135.11703	35.7
137.09634	1.7
137.13268	1.0
145.10136	15.4
147.11696	10.2
149.09663	1.0
149.13261	25.0
151.11139	1.0
151.14792	0.9
153.12759	0.7
159.11700	10.9
161.13269	12.7
163.14821	19.0
165.12801	1.3
173.13261	8.7
175.14833	5.2
177.16396	4.7
179.14278	1.8
184.18564	0.6
187.14848	8.4
201.16365	3.3
205.15933	1.3
215.17909	2.0
219.17451	1.4
233.22649	1.4
243.21109	26.9
244.21411	0.8
261.22156	100.0
262.22467	2.0
263.26340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03953	3.2
55.01864	0.8
55.05512	11.9
57.03427	1.8
57.07065	2.5
58.09820	0.6
58.50003	0.7
65.03929	2.2
67.05511	39.0
67.52314	0.6
69.07074	12.7
69.95837	3.0
71.04987	2.7
71.08627	0.9
77.03937	1.7
79.05499	55.1
81.07064	48.9
83.04952	1.0
83.08630	6.5
83.58481	0.7
85.06537	2.7
91.05485	27.8
93.07051	70.3
93.13848	0.6
95.04992	3.7
95.08613	34.3
97.06537	2.9
97.10162	2.3
99.08102	2.7
105.04566	1.0
105.07041	18.6
107.08601	45.0
109.06490	1.6
109.10163	15.3
111.08080	2.9
113.09648	1.4
117.07026	8.1
119.08595	16.1
121.10152	39.4
123.08064	0.7
123.11726	4.0
131.08578	14.9
133.10146	12.7
134.25140	0.6
135.11705	31.8
137.09589	2.0
137.13319	1.6
145.10144	14.7
147.11694	11.1
149.09703	0.8
149.13268	29.1
151.11166	0.9
153.12747	0.9
159.11720	10.4
161.13258	12.8
163.14832	18.7
165.12692	1.3
173.13269	8.7
175.14850	4.3
177.16417	5.7
179.14316	0.8
187.14824	6.1
189.16458	1.3
201.16362	3.3
205.15965	0.7
215.18011	1.8
217.19507	1.0
218.07195	0.6
219.17439	0.8
233.22729	1.5
237.91130	0.7
243.21103	31.8
261.09244	1.0
261.12756	1.9
261.22165	100.0
262.22388	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1121
Annotation	Linderane
Peak:m/z	Relative Intensity
55.05520	0.6
57.03441	2.8
61.58838	0.5
67.05467	0.7
69.94617	2.5
79.05498	1.3
81.07040	2.3
85.02910	18.6
91.05476	1.3
93.07063	0.7
95.01332	0.7
95.08613	0.7
105.07025	1.1
107.04949	1.9
107.08563	0.7
109.06501	1.2
117.07000	2.0
119.08524	0.7
123.04408	1.9
129.06993	1.0
131.04909	2.4
131.08577	1.1
133.02776	1.1
135.04414	2.8
141.06937	0.7
144.05719	0.7
145.06493	7.3
145.10130	0.9
147.04427	1.7
147.08084	1.3
149.02353	1.9
149.05957	0.7
154.07753	0.8
155.08574	1.2
157.06427	0.6
158.07269	1.1
158.77742	0.5
159.04381	2.7
159.08069	2.4
160.05170	1.6
161.02351	2.9
161.05992	5.7
163.03911	0.9
167.03389	0.7
169.10121	1.7
173.05980	5.3
173.09637	1.2
175.04004	1.0
175.07449	0.7
177.09074	3.8
179.08560	1.5
181.42813	0.6
182.07205	0.9
183.08017	1.5
185.06000	2.1
187.03911	0.7
187.07544	1.5
187.11176	1.2
189.05473	1.9
195.07942	0.6
197.09653	1.7
200.04657	1.8
201.05501	3.0
201.09090	8.4
203.07040	21.3
215.10692	6.4
219.10117	1.3
225.09091	1.6
228.07881	0.6
233.08249	1.0
243.10205	8.1
258.36636	0.7
261.11237	100.0
262.11496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1125
Annotation	Murraol
Peak:m/z	Relative Intensity
55.01869	1.6
55.05511	1.7
56.96574	1.4
57.03439	1.2
65.03944	1.3
67.01865	2.4
67.05511	3.1
68.99792	12.5
69.07076	1.9
70.73861	0.8
70.78529	0.5
71.01355	0.8
71.08656	0.7
71.58563	1.1
72.26693	0.6
79.05493	2.8
81.07064	4.0
83.04959	1.2
83.08601	0.9
85.02901	4.6
86.32051	0.7
87.00838	1.4
91.05486	50.7
93.07059	3.8
95.04988	0.7
95.08616	2.8
97.02901	1.4
98.09690	0.7
99.04478	0.8
103.05487	0.8
105.03368	0.8
105.07037	4.7
107.04991	1.8
107.08600	2.8
109.06503	1.4
109.10149	1.6
111.00806	19.8
111.04554	0.7
111.60883	0.8
115.05452	10.0
117.07024	100.0
118.07378	0.9
119.08585	2.9
121.10176	2.0
123.04440	0.7
126.58379	0.6
127.03913	10.7
129.07024	6.0
130.06618	0.7
131.04944	2.4
131.08575	12.4
133.10135	1.5
134.34091	0.7
135.04381	0.9
135.08044	0.8
135.11702	1.6
139.03909	1.4
141.07016	6.8
143.08600	0.7
145.06488	10.1
145.10152	3.4
147.08083	0.8
147.11696	1.4
149.02385	1.2
149.13239	1.2
151.03867	0.8
152.04675	1.2
153.06984	1.4
155.08556	7.3
157.06531	4.1
157.10106	1.1
158.06079	1.2
159.08057	3.9
159.11664	1.7
161.05994	0.9
161.13266	0.7
163.14880	0.9
165.05542	1.3
165.07010	2.4
169.10033	0.8
173.06004	1.6
173.09634	14.2
177.09079	1.0
179.08504	1.0
182.07196	0.7
183.08086	5.4
187.11156	0.8
197.09625	1.5
201.05449	1.3
201.09114	22.7
201.16367	1.4
203.07036	8.9
205.04980	1.5
215.10681	1.6
219.10112	1.5
225.08940	0.6
243.10185	25.5
243.21037	2.0
261.11209	26.6
261.15121	1.1
261.18344	1.3
261.22250	5.6
262.21664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
53.32303	0.3
55.01869	0.6
55.05511	0.9
56.05035	2.4
56.96568	5.6
57.03446	0.5
57.79016	0.3
58.06602	0.5
59.05001	0.3
64.63839	0.3
65.03947	0.6
67.05505	1.3
69.03439	1.6
69.07066	1.6
69.88743	1.2
69.94785	0.3
70.06593	1.2
70.63869	0.4
71.04987	0.7
71.95245	0.3
72.08154	0.9
73.02918	0.5
74.02450	1.2
79.05498	0.5
80.05020	0.5
81.03419	0.8
81.07072	0.6
82.06579	0.7
83.04976	0.5
83.08631	0.4
84.04510	27.6
84.08138	2.4
84.96027	0.7
85.02904	4.1
85.06528	0.5
85.08479	0.8
85.66499	0.3
86.06100	0.5
86.09711	28.2
87.04478	0.5
87.10050	0.7
91.05491	1.2
93.07023	0.3
95.01346	0.3
95.04979	0.8
97.02892	1.1
97.07692	0.4
98.06046	0.4
98.09700	0.8
98.97588	9.8
99.04446	1.2
102.05563	3.7
102.09137	0.4
110.03230	0.3
110.97582	1.3
111.10004	0.6
112.07590	0.6
112.99117	0.4
113.05988	0.6
114.09114	0.4
115.00694	0.4
116.05014	0.9
116.07085	0.6
116.10673	0.4
116.98632	4.6
117.06986	0.5
118.06520	1.5
119.01907	0.6
119.04951	0.3
122.05992	0.4
123.08042	0.3
124.02158	0.3
124.07623	0.5
127.03901	0.7
128.10730	0.3
128.98608	1.6
129.06577	1.5
129.10222	0.4
130.05022	0.5
130.06554	3.1
130.08626	0.4
131.00191	0.7
132.04454	1.3
132.09195	0.8
132.10214	14.5
134.99689	1.9
137.06006	0.4
138.05540	0.8
140.09024	0.5
140.10710	0.5
140.98564	0.4
141.01807	0.8
141.06627	1.2
142.08649	0.6
143.00175	0.7
143.06056	1.2
145.06464	0.6
146.06046	0.6
146.99663	1.1
147.04439	0.4
147.08087	0.3
148.06125	0.4
149.01317	0.4
149.02362	1.6
149.03423	0.4
150.12813	0.3
151.03934	0.3
155.00166	0.4
155.06059	0.5
157.07613	1.5
158.06000	2.9
158.11880	0.5
158.15411	0.8
158.99655	1.9
159.07957	0.4
160.08710	100.0
161.01245	1.2
161.04593	0.5
161.07089	2.6
161.09077	0.8
162.07700	0.4
168.05396	0.4
170.07126	1.8
170.99658	0.8
171.04343	0.4
172.02257	0.7
172.04301	0.7
172.08740	0.9
173.01215	0.6
173.07188	0.7
174.05598	0.6
175.02783	0.7
175.08705	0.4
177.00717	1.3
182.99664	0.6
184.09764	0.6
187.09862	0.5
189.00729	1.1
191.05891	0.6
197.06026	0.6
197.12860	16.4
198.06651	6.9
199.11282	0.3
201.00784	0.9
216.07706	39.1
216.12215	1.1
217.07980	0.4
219.01839	2.2
225.09683	0.3
225.12361	1.4
229.05017	0.4
229.10155	0.5
230.13927	0.4
233.04422	0.5
233.10335	14.4
235.05017	0.5
237.02795	2.5
238.03479	0.4
243.06624	0.4
243.13406	13.5
260.57208	0.5
261.02963	1.1
261.09839	60.3
261.17868	2.1
262.10220	1.0
279.03998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57853	0.7
55.01864	0.8
55.05495	0.7
56.96568	30.7
57.03426	1.7
58.06606	1.1
60.95843	3.5
61.02904	0.7
67.05489	1.8
69.03416	2.9
69.07041	1.4
70.06586	1.3
70.92689	1.7
70.98115	1.8
71.04987	2.5
71.95248	2.3
72.08145	1.1
72.47994	0.8
73.02911	1.3
75.94514	0.8
81.03432	0.9
83.04981	0.9
84.04483	1.7
84.08142	6.6
84.96042	6.7
85.02898	2.2
85.06559	4.8
85.08473	1.6
86.06063	7.8
86.09713	11.7
90.74868	0.7
96.08107	1.4
97.02888	2.2
97.96815	0.8
98.97588	72.3
99.97921	0.8
100.07587	0.7
101.00880	2.4
102.05541	1.0
102.09177	0.9
102.96872	24.8
110.97576	17.3
111.04419	1.7
112.07609	4.3
112.99129	5.7
113.00821	1.5
113.03455	1.9
113.06008	3.4
114.09176	14.1
115.02447	1.2
115.08649	0.7
116.98624	27.8
119.01869	2.0
120.97923	9.4
124.99132	2.9
127.00696	2.0
127.03895	1.1
128.07104	0.8
128.10701	2.2
128.98613	8.8
130.04971	1.4
130.08618	1.3
131.00194	5.2
131.01884	2.7
131.03896	0.8
133.01735	1.4
133.03429	1.6
134.92619	0.9
134.99696	5.6
137.00835	0.7
138.09126	3.2
138.98915	2.3
140.98590	6.8
143.00162	8.2
144.98053	1.1
145.01767	1.3
145.03427	0.9
146.99680	3.4
148.03880	4.0
148.06033	2.0
149.01146	2.1
152.10706	3.7
152.98587	3.9
153.00627	0.8
155.00136	1.7
155.01897	1.2
157.01756	1.0
157.04468	1.8
158.11780	0.8
158.99651	9.6
159.05038	1.8
161.01163	3.9
162.99078	0.8
169.01434	0.9
170.99664	8.5
171.05049	2.2
172.94264	0.9
173.01221	4.5
173.02779	1.3
174.11295	1.9
175.02809	1.0
176.93695	1.7
177.00758	5.4
180.10161	3.2
182.99658	2.5
188.12791	1.4
189.00681	6.0
189.06213	0.9
191.02216	2.6
194.94635	1.3
195.03088	0.7
195.04758	1.8
198.11267	4.9
201.00745	8.1
203.02242	1.0
203.04027	1.9
205.05461	1.6
207.01865	1.3
211.02216	0.7
213.00711	1.3
214.98636	0.8
216.12321	21.4
218.94661	1.3
219.01770	22.0
219.05315	2.2
219.08881	1.0
221.05078	4.2
229.03214	6.5
231.01645	0.8
236.95805	3.2
237.02818	14.4
237.06493	0.9
243.01941	0.9
243.04817	1.9
243.16985	1.5
260.95706	4.0
261.00043	1.4
261.02850	11.3
261.05841	29.8
261.09424	100.0
261.18073	16.6
278.96823	23.8
279.00415	1.1
279.01019	1.0
279.03610	5.5
279.09558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	6.7
58.06620	1.9
67.05508	2.3
69.03429	2.7
69.97666	6.1
71.04990	4.5
71.95269	1.4
84.08143	1.6
84.96060	2.0
85.06542	8.3
86.06078	15.0
86.09704	4.9
87.04475	1.5
98.20847	1.8
98.97585	11.2
99.05592	1.2
100.07618	1.5
101.49799	1.2
104.10739	5.1
110.97588	4.0
111.04442	2.7
111.09121	1.2
112.07625	5.9
112.99125	1.5
113.06026	8.3
114.09184	21.8
116.98536	2.6
125.59013	1.1
128.98634	2.4
130.08667	3.7
131.00163	1.5
138.09167	4.3
140.98616	2.5
152.10721	10.6
158.99655	1.8
169.01144	2.8
170.99721	2.1
174.11252	1.3
180.10223	6.9
198.11275	6.4
201.00676	3.0
201.03807	3.5
207.01578	1.8
216.12334	45.9
217.48338	1.1
218.21211	1.0
219.01736	3.4
225.52876	1.3
229.01213	2.3
229.03253	34.7
237.02940	3.0
237.62805	1.3
243.04758	5.6
243.17020	3.2
261.05847	100.0
261.09473	80.3
261.18121	35.4
262.06372	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36380	0.4
55.01864	0.7
55.05502	1.0
56.05018	0.7
56.96569	9.7
57.03426	0.6
58.06587	0.4
58.99588	8.2
65.59243	0.3
67.05508	8.7
68.05048	0.4
69.03423	2.7
69.07072	22.0
70.06586	1.5
70.99558	0.5
71.01328	0.4
71.04985	1.1
71.24992	0.7
71.25337	0.4
71.57735	0.3
71.95235	0.6
72.08146	1.7
73.01147	0.5
73.02912	0.8
74.02450	0.4
75.57951	0.4
76.02230	2.6
79.05492	0.7
81.03415	1.0
81.07079	0.6
82.06586	3.4
83.04972	1.0
83.06112	0.7
84.04507	3.8
84.08140	2.5
84.96044	2.2
85.02892	2.0
85.04845	0.5
85.06540	1.0
85.08459	0.5
86.06051	1.1
86.09280	0.5
86.09718	5.9
87.04485	0.6
87.10021	1.1
88.03978	1.0
91.05474	0.9
92.12071	0.3
93.07031	0.8
94.06559	0.6
95.04975	1.1
97.02886	1.5
97.06567	0.7
98.06065	0.7
98.09708	1.1
98.97589	16.4
99.02687	3.2
99.04436	0.8
101.04249	38.4
102.05545	1.2
102.09175	0.8
105.00154	0.5
109.02890	0.8
110.06023	1.1
110.09608	0.4
110.97556	2.6
112.07610	4.3
112.99150	0.9
113.06034	0.4
114.05483	0.5
114.09155	1.2
115.04060	0.4
116.10686	0.5
116.98624	8.1
119.01895	0.5
122.02742	0.7
124.07570	0.4
124.99115	1.0
125.04187	0.4
126.09174	0.7
127.00768	0.5
127.02150	4.7
127.03913	0.4
127.05782	1.6
128.98648	3.5
129.02240	0.7
129.03709	3.0
130.06538	3.8
130.08621	0.6
131.00172	1.4
131.01872	0.4
132.04453	1.2
132.10208	1.8
134.99669	2.1
137.06009	0.9
138.05498	0.9
138.09134	0.6
140.07077	4.4
140.98605	0.9
142.08640	3.6
143.00162	1.8
145.01753	0.6
146.06032	0.9
146.99655	1.8
147.03319	0.7
147.04387	0.5
149.01317	0.8
149.02321	0.8
149.04842	0.5
149.06062	0.4
152.05371	0.5
152.07059	0.8
152.10678	0.5
152.98518	0.4
155.01619	1.2
157.07581	1.1
158.06029	4.2
158.08070	0.6
158.11826	0.6
158.15382	0.6
158.99661	3.5
159.03291	1.4
160.08720	5.5
161.01225	1.8
162.99216	0.5
167.06995	0.7
169.13342	0.7
170.06337	1.3
170.99632	1.4
171.03253	0.6
172.04282	100.0
173.01247	1.2
173.04614	1.1
173.07112	1.1
174.05664	0.8
175.02779	0.6
175.04346	0.5
177.00705	2.5
177.04369	1.6
180.04852	1.0
184.04848	0.5
184.09749	0.4
189.00761	2.2
189.04367	0.7
190.04854	0.5
191.02257	0.8
197.07465	2.1
197.12866	2.3
198.05817	2.2
198.13214	0.7
200.04938	0.4
201.00751	1.2
201.04338	1.7
201.07921	0.6
202.04971	0.5
204.12413	0.5
207.01669	0.6
213.99150	0.5
215.08504	5.9
216.07658	2.5
216.10201	3.2
216.12323	1.4
217.03793	0.5
218.11844	0.6
219.01755	4.6
219.05351	2.4
219.09131	0.4
229.15529	0.8
231.05402	0.8
233.10338	0.9
235.04884	0.8
237.02806	4.5
237.06505	0.6
242.03363	0.4
242.56232	0.4
243.15254	1.7
244.06404	8.4
260.57394	0.4
261.02853	1.5
261.06085	1.3
261.09424	10.3
261.12335	0.6
261.15323	1.0
261.18073	6.2
262.07159	0.4
262.16455	0.5
279.03976	1.8
279.07355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	6.0
57.13110	1.1
69.03421	2.6
71.04988	3.9
71.08585	1.7
71.08915	1.8
74.64783	1.5
84.08136	4.1
84.96027	1.8
85.02889	2.3
85.06552	11.7
86.06078	17.8
86.09730	9.1
86.92339	1.4
94.70257	1.2
97.02782	1.3
98.02466	1.3
98.97588	12.4
99.08086	2.6
100.07603	1.3
104.10753	7.6
110.97561	5.0
111.04432	3.1
112.04790	1.3
112.07592	6.1
112.99115	1.5
113.06008	10.1
114.09175	25.3
116.98605	4.3
128.98605	3.1
130.08636	2.4
131.00143	1.6
138.09129	6.4
140.98636	4.6
148.06044	1.8
150.23758	1.4
152.10715	7.8
153.26196	1.3
158.11777	2.4
158.99646	2.9
159.25583	1.4
169.01096	2.7
170.99608	2.0
180.10178	5.1
198.11264	8.7
201.00696	3.5
201.03668	4.5
216.12335	47.2
219.01772	5.3
229.03194	31.9
237.02803	2.7
243.04713	5.0
243.17049	3.1
261.05823	100.0
261.09445	67.7
261.18115	32.6
262.06711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0298
Annotation	D-Glucose 6-sulfate
Peak:m/z	Relative Intensity
50.69389	0.3
56.96570	16.5
60.95861	4.6
71.56130	0.6
71.95285	2.6
74.97609	0.5
75.94543	1.3
76.46616	0.3
82.99858	0.7
84.96030	1.6
93.77151	0.3
98.97591	100.0
99.97928	1.7
100.97213	2.3
100.98013	1.5
101.00883	3.7
102.96877	34.3
110.97584	4.4
112.99151	1.3
114.34057	0.4
116.98633	40.1
117.98964	0.6
118.66193	0.4
118.98231	1.0
118.99021	0.9
119.01933	5.2
120.97915	15.4
120.98779	0.8
124.99149	0.7
127.00706	0.7
128.98613	2.7
129.02287	0.5
131.00198	0.6
131.03860	0.4
134.92595	1.2
134.99667	9.7
135.00638	0.6
136.99315	0.4
137.02959	0.7
138.98955	5.0
140.00183	0.9
140.98607	3.1
143.00172	2.2
144.04494	0.4
146.99638	0.5
149.01251	0.5
149.04854	0.8
152.98642	0.8
153.00740	0.6
158.99742	5.2
161.01231	1.3
163.02618	0.4
167.06033	0.4
170.99693	3.0
171.00958	0.5
173.01266	1.6
175.03040	0.4
175.06468	0.6
176.93640	4.2
177.00945	11.5
178.01114	0.7
182.49945	0.3
182.99823	1.1
189.00708	2.6
190.95384	0.5
191.02301	0.7
193.07451	0.5
194.94728	1.8
199.03098	0.4
201.00824	5.0
207.01833	0.5
217.04109	1.4
217.47746	0.4
218.94739	1.1
219.01961	17.7
219.09087	0.9
220.02180	0.8
225.00870	1.9
236.95786	3.2
236.99326	0.4
237.02791	3.4
237.10101	0.4
237.98767	1.2
242.98633	1.4
243.01999	9.9
254.96886	1.4
260.95786	7.3
260.99713	21.7
261.03125	75.2
262.03229	2.6
263.03448	0.4
278.96890	33.7
279.00668	21.7
279.03860	2.0
284.01270	0.7
284.04568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69389	0.3
56.96570	16.5
60.95861	4.6
71.56130	0.6
71.95285	2.6
74.97609	0.5
75.94543	1.3
76.46616	0.3
82.99858	0.7
84.96030	1.6
93.77151	0.3
98.97591	100.0
99.97928	1.7
100.97213	2.3
100.98013	1.5
101.00883	3.7
102.96877	34.3
110.97584	4.4
112.99151	1.3
114.34057	0.4
116.98633	40.1
117.98964	0.6
118.66193	0.4
118.98231	1.0
118.99021	0.9
119.01933	5.2
120.97915	15.4
120.98779	0.8
124.99149	0.7
127.00706	0.7
128.98613	2.7
129.02287	0.5
131.00198	0.6
131.03860	0.4
134.92595	1.2
134.99667	9.7
135.00638	0.6
136.99315	0.4
137.02959	0.7
138.98955	5.0
140.00183	0.9
140.98607	3.1
143.00172	2.2
144.04494	0.4
146.99638	0.5
149.01251	0.5
149.04854	0.8
152.98642	0.8
153.00740	0.6
158.99742	5.2
161.01231	1.3
163.02618	0.4
167.06033	0.4
170.99693	3.0
171.00958	0.5
173.01266	1.6
175.03040	0.4
175.06468	0.6
176.93640	4.2
177.00945	11.5
178.01114	0.7
182.49945	0.3
182.99823	1.1
189.00708	2.6
190.95384	0.5
191.02301	0.7
193.07451	0.5
194.94728	1.8
199.03098	0.4
201.00824	5.0
207.01833	0.5
217.04109	1.4
217.47746	0.4
218.94739	1.1
219.01961	17.7
219.09087	0.9
220.02180	0.8
225.00870	1.9
236.95786	3.2
236.99326	0.4
237.02791	3.4
237.10101	0.4
237.98767	1.2
242.98633	1.4
243.01999	9.9
254.96886	1.4
260.95786	7.3
260.99713	21.7
261.03125	75.2
262.03229	2.6
263.03448	0.4
278.96890	33.7
279.00668	21.7
279.03860	2.0
284.01270	0.7
284.04568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
56.05040	0.8
56.96567	43.7
57.03431	1.4
57.07068	0.8
58.06601	1.4
60.08157	1.0
60.95857	4.7
67.05507	1.2
68.98292	0.7
69.03437	3.7
69.07071	1.4
70.06598	1.1
70.98119	2.3
71.04987	2.1
71.56776	0.9
71.95257	2.5
72.08149	2.1
73.02904	1.4
74.97614	1.4
75.94550	1.6
81.03413	1.6
81.04532	0.7
83.05016	0.6
84.04505	3.0
84.08143	7.9
84.95528	0.7
84.96033	10.5
85.02896	4.6
85.06551	3.7
85.08479	2.3
86.06068	5.2
86.09714	23.5
86.10237	1.3
86.97604	1.3
87.04454	0.6
95.04977	1.0
97.02911	2.8
97.96794	0.7
98.97588	100.0
99.08060	0.7
100.07616	0.7
101.00900	3.8
102.05551	0.7
102.09190	0.8
102.96873	28.7
109.02832	0.9
110.97575	20.6
111.04443	1.4
112.07627	5.0
112.99155	6.1
113.00871	2.3
113.06016	3.5
114.09170	8.1
115.02420	2.5
116.98630	39.3
117.03991	1.2
119.01917	3.5
120.35801	0.6
120.97912	15.7
124.07611	1.7
124.99126	3.0
126.09196	0.8
126.12793	0.8
126.97026	1.4
127.00695	1.8
127.02414	1.0
127.03946	0.8
128.98619	15.2
129.02266	1.3
129.10274	0.9
130.05023	1.1
130.06534	1.1
130.08603	2.8
130.10622	0.6
131.00192	6.0
131.01910	6.0
131.03786	1.2
132.10207	1.4
133.03471	3.0
134.92599	1.0
134.99667	10.9
135.05038	1.6
137.00961	0.7
137.05943	0.9
138.09137	2.0
138.98976	4.0
140.00182	0.8
140.98596	11.2
143.00168	9.5
143.01945	1.9
144.13826	2.6
144.98137	1.2
145.01715	2.2
145.03477	2.8
146.14943	0.7
146.99640	6.0
147.01424	0.8
147.03294	1.8
148.06047	4.1
149.01216	2.3
149.04881	1.9
152.10735	3.2
152.98627	4.2
155.00330	1.2
155.01903	4.3
156.02664	1.3
157.01755	1.3
157.03508	0.8
158.06007	0.7
158.99670	16.0
159.03259	1.0
159.05057	5.2
161.01250	6.4
161.02968	1.7
161.52728	0.8
162.99207	0.8
163.04472	0.9
169.01190	0.6
170.99654	11.0
171.05063	5.1
172.04234	0.7
172.09758	1.1
173.01247	6.1
173.02971	3.9
173.04445	0.6
173.04930	0.5
174.11278	1.0
174.99292	0.7
175.02870	1.4
175.04608	1.0
175.06387	0.9
176.93655	3.2
177.00714	9.4
177.04387	1.1
177.06068	1.6
179.02293	1.0
180.10233	2.2
182.99602	4.3
185.01236	0.6
185.02809	0.8
187.02792	1.0
189.00705	10.1
189.06091	3.1
191.02292	2.8
194.94762	2.5
195.55737	0.8
198.11206	3.4
201.00703	12.3
201.02545	0.8
201.04449	1.1
201.06126	2.2
203.04057	2.6
207.01843	2.4
213.00771	1.8
213.06181	0.7
215.02269	0.9
216.10359	0.9
216.12297	14.2
218.94766	1.0
219.01773	28.9
219.05286	1.3
219.09096	1.5
220.02138	0.7
221.05072	10.9
229.03178	3.5
231.01775	1.5
236.95792	3.7
237.02824	23.7
237.06540	1.4
243.01793	1.4
243.04788	1.5
243.07256	1.0
243.13376	0.9
243.16946	1.8
253.07552	0.7
254.96843	1.2
255.03758	0.7
260.95789	7.2
260.99854	2.0
261.02869	18.9
261.05832	26.7
261.09348	14.5
261.12216	1.4
261.14932	2.2
261.18054	14.2
271.08508	0.6
278.96835	30.6
279.00400	1.2
279.03796	11.1
279.09305	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	260.1606
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
53.03944	2.2
55.01873	1.4
55.05509	1.4
56.05038	8.0
56.40268	1.0
56.96571	8.3
57.03431	1.4
58.99586	1.3
59.04985	1.0
62.42244	1.1
62.80795	1.0
62.86005	1.1
63.75188	1.0
64.33501	1.0
67.05507	3.1
69.03397	2.4
69.07064	7.6
70.01015	4.6
70.06595	7.6
72.08154	4.4
73.02946	1.3
74.02428	1.4
83.05020	1.4
83.06107	56.5
84.04508	78.8
84.08145	32.0
84.96033	1.6
85.02918	3.6
85.06547	3.1
86.09710	100.0
92.58285	1.0
95.04969	1.8
95.98263	1.0
97.02910	2.5
98.97575	10.2
99.04462	1.9
100.07675	1.4
101.04234	7.3
101.07136	7.3
101.10764	1.5
102.05537	5.7
109.02915	5.0
110.97590	2.7
112.07596	4.4
116.98628	4.4
123.04408	1.2
127.03949	1.4
128.07068	1.7
128.98639	2.0
129.06645	5.3
129.10246	4.7
130.06543	4.7
130.08662	2.5
132.10208	31.6
140.07104	1.6
141.06615	3.3
143.00165	1.5
146.99710	1.3
147.07607	1.3
147.11322	5.3
157.07626	4.1
157.13390	6.9
158.06017	1.2
158.99646	3.6
167.07027	1.2
170.99623	1.3
171.11365	1.5
172.04303	17.4
177.00757	2.4
185.12817	2.4
193.01907	1.1
196.14491	6.5
197.12875	32.1
198.11322	1.4
219.01717	2.8
224.09250	3.2
225.12405	3.2
237.02910	3.0
242.15030	66.7
243.13411	29.0
243.17157	1.9
260.07352	2.6
260.10300	1.7
260.14682	5.1
260.19672	7.0
261.09375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1133
Annotation	O-fumaryl-L-carnitine
Peak:m/z	Relative Intensity
52.71056	0.4
53.03955	0.5
55.01871	0.7
55.05516	1.0
55.08834	0.5
55.16980	0.5
56.05025	0.6
56.96567	2.2
57.03436	0.5
57.07077	2.3
60.04521	0.7
61.02930	0.5
65.03927	0.6
65.87052	0.4
67.05503	2.4
69.03429	2.0
69.07061	1.8
69.89642	2.0
70.02953	4.3
70.06592	1.7
71.04645	0.6
71.05003	10.2
72.08149	1.8
74.02442	8.4
74.06055	0.4
79.05489	1.3
81.07057	2.7
82.06563	0.7
84.04510	0.9
84.08149	8.9
84.44204	0.5
85.02912	1.7
85.06547	100.0
86.06879	0.8
86.09696	2.6
88.03996	25.0
95.04980	1.0
97.02900	1.5
97.06571	0.6
98.20800	0.7
98.97578	3.7
99.05547	0.6
99.08079	0.8
102.05551	5.9
105.70071	0.4
107.04930	0.5
109.02897	0.9
109.06545	0.8
110.97592	0.6
112.07627	1.5
113.06018	0.8
115.05051	0.7
116.03483	6.0
116.98666	0.8
120.04483	1.3
120.08128	0.5
122.06001	0.4
127.07539	0.9
129.10257	1.2
130.06537	6.4
130.08693	1.1
132.04437	0.7
134.04492	30.2
134.06094	1.1
140.07021	0.7
141.06644	1.5
144.10112	0.6
145.08583	3.7
146.06052	2.1
147.11272	0.9
148.06036	3.4
154.06494	0.9
157.07622	2.7
158.06038	2.0
158.99800	0.6
160.07591	0.6
182.17888	0.6
196.09775	0.7
200.07193	1.1
200.09155	1.1
214.10748	4.8
224.12787	0.7
232.10818	1.0
237.02888	0.6
242.10249	4.8
242.13902	2.5
259.56375	0.8
260.06693	0.7
260.11191	5.2
260.14981	0.9
260.19580	0.7
261.13165	4.4
278.11444	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.206
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03943	3.1
53.22087	1.7
55.01868	3.4
55.05522	16.5
56.30533	1.7
56.96551	2.2
57.03421	2.7
57.07089	8.8
65.03947	2.0
67.05508	18.2
69.03437	12.2
69.06762	2.3
69.07079	21.7
71.05003	4.9
71.56509	2.8
79.05501	20.2
81.07061	23.1
83.04974	8.1
83.08620	3.9
85.06065	3.4
85.06547	44.2
89.03945	4.0
91.05482	13.0
93.07055	18.3
94.56296	1.6
95.04982	8.8
95.08604	27.7
97.06538	40.4
98.59199	1.8
98.97585	3.7
99.08100	31.3
103.05471	4.7
105.03421	2.3
105.07038	38.8
107.04961	3.2
107.08594	18.8
109.06509	6.9
109.10167	17.9
111.05782	1.6
111.08074	3.9
113.09628	2.3
115.05444	2.3
117.03381	5.4
117.07009	6.5
119.08594	41.8
121.06522	2.1
121.09310	3.3
121.10153	48.3
123.08059	5.7
123.11713	6.0
124.37537	1.7
125.09648	9.4
128.06216	4.5
129.06998	4.5
131.08577	12.9
133.02824	2.3
133.06555	2.0
133.10138	38.2
135.04413	6.8
135.08105	3.0
135.11702	5.8
137.09604	3.5
139.11203	7.5
142.07784	3.8
143.08569	11.0
144.09351	2.7
145.02811	4.3
145.06529	2.7
145.10133	25.8
147.08034	4.5
147.11708	30.8
149.09633	3.5
149.13239	3.9
151.11177	5.4
155.08577	2.0
156.09334	4.0
157.10139	16.2
158.10878	3.6
159.08115	1.9
159.11703	26.5
161.02353	5.7
161.09615	10.0
161.13278	8.5
163.03906	31.4
165.12790	10.0
169.10133	3.3
170.10899	7.2
171.08087	2.4
171.11684	16.3
173.02345	12.6
173.13257	10.8
175.11186	7.6
175.14815	8.3
179.14304	11.8
185.13283	24.6
189.12766	4.8
190.13557	3.2
199.14854	12.7
201.16408	55.0
203.10809	2.0
203.14296	10.8
213.05351	2.5
215.07039	14.8
217.04877	2.3
217.15967	3.1
226.66667	1.8
232.61517	2.0
241.19492	17.1
259.09494	17.0
259.17218	4.3
259.20590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03953	1.9
54.62815	1.2
55.05512	13.5
55.08046	1.3
56.96545	2.8
57.03443	16.5
57.07065	3.5
67.05506	19.0
69.07074	14.2
69.86693	6.4
71.04967	4.0
79.05500	21.7
81.07062	24.6
82.75602	1.3
83.04996	1.6
83.08612	8.5
85.06539	4.2
86.34100	1.3
86.40781	1.2
91.05484	50.7
93.07041	19.5
95.04967	2.4
95.08044	2.0
95.08611	24.3
97.06536	2.4
97.10160	3.4
98.20843	2.1
99.08083	4.1
103.05460	1.6
105.07036	74.6
107.08594	13.6
109.06535	2.3
109.10159	6.0
111.08065	1.6
111.11774	1.2
115.05444	4.3
116.06258	2.2
117.07024	66.6
119.08585	51.4
121.06535	2.2
121.10147	15.6
123.11672	2.4
125.09608	2.3
128.06229	8.3
128.86496	1.4
129.07013	24.7
130.07762	2.9
131.08572	73.7
133.10133	59.4
135.08101	3.1
135.11691	4.4
141.06984	1.8
142.07787	3.6
143.08557	34.2
144.09354	3.0
145.10132	55.4
147.11684	42.3
148.08800	1.7
149.07098	1.5
149.09633	3.9
149.13240	2.4
156.09354	4.0
157.08914	2.4
157.10146	24.6
159.11702	93.5
161.09668	2.7
161.13254	13.8
163.11200	4.0
169.10193	2.0
171.08011	1.6
171.11694	28.5
173.13264	58.7
175.14879	7.1
177.12767	2.1
185.13268	40.9
187.13124	2.9
187.14827	51.8
199.14841	20.7
201.16382	6.2
203.10680	1.6
203.17938	3.9
213.09138	1.8
213.16389	6.9
220.29680	1.3
231.17598	2.3
231.21233	1.5
241.08505	2.3
241.19530	39.2
244.07193	1.8
259.07306	2.2
259.09686	23.0
259.17001	5.7
259.20590	100.0
262.75385	1.4
264.38547	1.5
264.85818	1.6
277.16473	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03940	3.0
55.01870	2.3
55.05507	9.4
64.92775	1.8
67.05491	11.2
68.99773	2.3
69.03416	2.8
69.07073	34.6
71.04992	21.1
79.05495	9.0
81.07058	18.2
83.04977	4.5
83.08611	6.7
85.06550	20.9
87.00826	2.9
88.24174	2.1
91.05486	20.2
93.07056	18.6
95.04980	4.1
95.08619	20.4
97.06532	3.9
105.03386	2.0
105.07040	52.5
107.08592	19.2
109.06516	6.5
109.10164	13.2
111.00808	1.9
111.08106	12.7
117.07008	7.4
119.08584	49.4
121.06480	3.2
121.10165	13.9
123.08060	3.1
123.11730	25.1
127.03884	8.1
129.06998	3.5
130.07806	2.4
131.08565	17.0
133.10138	36.3
133.31236	1.9
135.07990	11.1
135.11678	6.9
137.09599	6.2
142.07753	3.8
143.08594	9.3
144.09355	3.9
145.09024	2.8
145.10130	35.9
145.62541	2.1
147.11711	20.2
149.09642	3.2
149.13263	3.9
156.09338	5.4
157.10161	15.3
159.11688	26.3
160.12425	3.6
161.09636	3.9
161.13258	32.1
163.11156	2.8
170.10912	3.2
171.11739	13.6
173.13281	12.7
175.11201	5.3
175.14844	84.1
176.15578	6.0
177.12733	5.5
177.16426	4.4
185.13297	16.6
189.09169	2.4
189.12706	5.8
189.16383	8.2
190.13515	2.5
195.08192	2.6
198.06766	2.0
199.14799	5.8
199.81812	1.9
201.16415	27.5
203.14337	11.8
215.17992	5.9
217.08824	2.1
217.15935	2.1
217.19492	4.4
240.59334	1.9
241.08560	4.6
241.19507	13.7
259.09695	36.0
259.12952	2.7
259.20584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1671
Annotation	O-1821
Peak:m/z	Relative Intensity
55.05500	1.4
56.96564	2.6
67.05493	1.3
68.55213	0.6
69.07069	1.2
69.30485	6.5
71.04991	0.7
79.05487	1.7
81.07041	2.1
91.05482	4.5
93.07035	2.3
95.08613	1.7
105.07027	4.8
107.08596	1.6
109.10170	0.7
110.72548	0.7
115.03917	1.4
117.07027	3.3
119.08596	4.1
121.10143	1.3
122.91508	0.6
128.06305	0.8
129.07025	1.7
131.08568	3.6
133.10168	3.3
135.04407	0.7
135.11642	0.8
136.41893	0.6
143.08569	2.1
145.10129	3.5
147.11787	3.6
156.46550	0.8
157.10193	1.3
159.11716	4.0
161.13225	1.5
171.11694	1.8
173.13258	2.7
183.88626	0.7
185.13245	1.2
186.13254	0.6
198.04388	2.3
199.14853	1.0
201.16284	0.8
207.04927	1.3
213.05142	0.7
227.04767	0.8
236.05252	0.9
241.08640	1.1
241.19560	2.3
244.07466	0.9
244.56906	1.4
245.07457	0.9
259.09729	7.8
259.16714	100.0
259.20520	6.0
277.11026	0.8
277.17700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03475	1.0
55.01877	1.7
55.05501	0.8
56.05035	1.1
56.96570	31.5
57.03432	1.9
58.06605	3.5
58.96168	1.9
61.02938	1.1
67.05512	2.1
69.03439	6.4
69.07059	1.6
70.06595	5.2
70.98125	4.1
71.04996	4.8
71.57000	0.7
71.95273	3.6
72.08148	2.6
73.02917	1.2
74.00668	0.8
74.97598	0.9
81.03426	1.6
82.05342	0.9
82.06578	1.9
83.04967	1.7
83.06095	0.8
84.04509	0.8
84.08147	10.1
84.96033	2.0
85.02910	4.8
85.05661	0.6
85.06547	7.4
86.06084	1.6
87.04471	1.4
89.67868	0.6
91.05537	0.6
94.06574	4.0
95.04967	1.9
96.04499	0.6
97.02893	5.8
97.06542	0.7
97.96774	0.8
98.03174	0.6
98.09703	0.6
98.97589	92.7
99.04471	0.8
99.08099	0.6
99.97937	2.6
100.02209	12.2
100.07610	5.5
100.97190	12.3
100.98011	6.7
100.99112	1.0
101.00887	1.8
102.09206	1.2
102.96878	0.8
104.01269	0.6
106.02911	0.6
107.04929	0.7
108.08089	0.8
109.02885	0.8
109.59584	0.6
110.01314	0.8
110.06041	1.0
110.09696	1.3
110.97569	4.9
111.04411	0.7
111.09216	20.0
111.09969	1.1
112.03979	0.7
112.06837	0.6
112.07613	12.0
112.99133	4.6
113.06013	6.1
114.09173	11.2
115.00700	2.1
115.02404	0.6
116.07131	0.9
116.98631	38.0
117.03938	0.6
117.98926	0.8
118.98360	4.1
118.99055	3.9
119.00152	0.6
119.01953	2.9
122.09666	0.9
124.07613	0.9
124.99165	1.0
126.09161	1.3
127.00680	1.2
127.03933	1.4
128.07095	1.6
128.98630	3.7
129.10251	7.8
130.02788	0.7
130.08665	6.0
130.93326	1.4
131.00198	2.1
131.01889	0.8
131.74409	0.6
133.01761	1.0
133.03448	2.0
134.99669	10.1
136.99234	1.5
137.00156	1.2
137.05997	0.7
140.00166	0.9
140.07031	0.8
140.98596	2.2
143.00192	2.3
144.98134	0.8
145.01729	1.1
145.04999	0.8
146.01385	0.8
146.02702	11.4
146.99658	0.8
149.01251	1.3
149.03004	0.6
150.09090	0.7
154.08629	6.5
155.00258	0.8
155.54829	0.6
157.01711	1.3
158.99673	8.3
159.03268	1.7
161.01228	1.2
161.02985	1.2
161.04659	1.0
161.54900	0.9
162.03633	0.9
163.12326	1.1
166.08669	1.1
168.55634	0.7
169.01712	1.0
169.04436	1.3
170.05179	2.5
170.55379	2.4
171.04234	1.1
171.05511	0.8
172.09781	1.1
172.94402	1.7
173.01376	0.7
174.93884	1.4
174.99260	1.3
175.00879	1.6
175.02805	1.6
175.04433	0.7
177.00725	6.1
177.04338	1.7
178.04909	3.4
178.55087	0.9
179.02185	0.7
181.13397	0.8
182.11818	1.0
184.09665	2.4
187.02841	1.8
189.00775	1.2
189.02435	1.4
190.95404	1.8
193.04066	1.0
195.01743	1.0
196.09691	9.5
198.99179	0.8
199.02464	2.5
200.12837	2.3
205.03812	2.0
205.13417	1.7
213.06966	2.1
214.10748	10.3
214.95393	0.8
217.00276	3.8
217.01956	1.9
217.03519	3.6
217.05673	1.2
219.01788	1.7
222.05493	0.6
223.14474	2.6
232.96510	1.2
234.96524	0.8
235.01183	5.0
235.04958	1.4
235.06900	1.2
237.02850	1.1
240.98589	0.9
241.03174	0.9
241.15506	6.1
258.58698	1.8
258.96695	2.2
258.99789	17.2
259.04324	7.3
259.07300	4.8
259.16541	100.0
259.99994	0.6
260.11932	0.7
260.14758	1.0
276.97577	18.7
277.00858	15.3
277.05365	1.0
277.07956	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06308	0.4
53.03945	0.9
55.01879	3.6
55.05496	1.0
56.96560	0.8
57.03434	0.8
65.03928	0.4
67.05501	1.4
69.03391	1.1
69.07050	1.0
69.86926	0.4
71.56326	0.5
73.18369	0.3
79.05491	2.5
81.03407	1.5
81.07047	0.9
83.01332	0.7
83.04987	2.7
85.02911	2.0
85.06547	0.7
87.00835	0.4
91.05487	8.7
93.03391	0.8
93.07043	1.6
95.04963	1.9
95.08583	0.6
97.06510	1.6
99.04462	22.8
105.03396	11.2
105.04454	0.5
105.07018	1.8
107.04955	1.0
107.08595	0.5
109.02883	1.2
109.06510	0.6
111.04447	5.5
112.05233	2.2
115.05462	6.4
117.03407	0.4
117.07025	25.2
119.08546	1.2
121.06520	1.2
121.10132	0.4
123.04453	0.8
125.59306	0.4
127.02984	0.4
127.03919	7.3
128.06236	2.3
129.05533	0.8
129.07018	10.6
131.04915	0.9
131.08522	1.0
133.06465	0.8
133.10147	0.8
135.04410	0.8
141.06956	1.8
142.06261	9.8
142.07596	0.5
142.07813	0.5
143.08562	1.7
145.02879	0.5
145.10143	0.6
147.04437	0.6
147.11678	0.6
149.05968	2.3
152.06209	1.1
153.06949	0.9
155.08519	2.2
157.06424	0.4
157.10107	1.1
158.07237	0.9
159.04414	0.5
159.08028	0.6
161.05962	3.7
163.03923	2.1
163.34973	0.4
165.06995	2.0
166.07857	2.0
166.11353	0.4
167.08571	8.7
170.07234	0.4
171.04388	1.1
171.08029	1.0
171.11644	0.6
173.02298	0.6
179.08537	0.4
181.06529	0.9
181.10104	2.9
183.07990	1.9
185.05917	0.8
185.09616	3.2
187.03851	0.9
187.07471	0.4
195.08087	3.9
197.05875	0.4
198.06802	0.8
199.07544	2.2
199.11179	3.0
201.16463	0.7
203.03317	0.5
203.07008	0.6
205.04985	1.0
209.09625	3.8
213.05460	1.7
213.09119	1.7
215.07056	1.0
217.04964	0.8
227.07060	4.1
227.10565	3.7
229.05009	1.1
241.06186	0.7
241.08604	9.7
241.19606	0.4
243.06558	3.2
244.07343	6.6
257.08289	0.5
259.09668	100.0
259.20578	1.6
260.10043	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	Cochinolide
Peak:m/z	Relative Intensity
51.46130	0.8
53.03945	1.5
55.01846	1.3
57.03434	1.0
65.03929	1.3
67.05499	1.3
68.99796	4.6
69.03429	1.0
69.07051	2.6
69.60681	5.2
79.05499	7.4
81.03435	1.2
81.07048	3.1
91.05488	62.1
93.07028	1.8
95.04980	1.3
95.08601	1.7
97.06544	9.2
98.97553	1.2
103.05466	9.7
105.03411	4.8
105.07037	42.4
107.04957	12.8
107.08610	2.1
109.02837	0.9
109.06496	2.2
109.10146	1.9
115.05475	1.4
117.03349	1.4
119.08573	1.7
121.02831	1.6
121.10169	1.0
123.04396	3.1
128.06239	1.3
129.07030	4.3
131.04898	3.6
132.08018	0.9
133.10129	1.5
135.04424	64.0
137.05986	14.7
141.06978	3.0
142.07724	1.3
142.66522	0.9
143.07487	1.0
143.08534	4.1
145.10103	2.6
150.03137	1.5
152.06207	3.5
153.06975	1.1
155.08470	1.2
157.06508	1.0
157.10115	1.2
159.11693	0.9
160.10027	1.2
161.02264	1.3
163.03917	98.9
165.06975	2.8
167.08586	7.4
171.08054	2.9
173.02461	4.0
177.06993	3.7
178.07793	3.7
179.08508	4.6
181.04945	3.6
181.06425	1.9
182.07253	1.4
185.09669	1.3
185.13275	0.9
186.09180	1.5
188.09377	1.5
195.08063	6.1
197.09676	1.4
199.07559	2.6
199.14677	1.1
201.16386	1.7
202.11098	1.0
203.11888	1.0
213.09113	10.9
214.08679	2.4
215.07025	4.2
215.10721	5.8
223.07547	8.8
226.06358	1.0
241.08603	100.0
242.09079	1.0
259.09549	19.1
259.16837	1.4
259.20526	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	Ptaeroxylin
Peak:m/z	Relative Intensity
55.01863	0.6
55.05493	0.3
56.96559	0.6
57.07051	0.4
59.27023	0.3
67.05494	0.6
67.86444	0.3
71.55820	0.3
72.08141	1.1
81.07043	0.6
83.01301	0.3
90.09194	0.8
91.05477	0.8
93.07040	0.5
98.97536	0.4
101.02385	0.7
105.07006	0.9
107.08593	0.3
115.05444	0.4
119.08566	0.4
121.10123	0.3
128.06218	0.4
129.07027	0.4
129.20038	0.3
131.08560	0.6
133.10112	0.3
135.04448	0.3
136.93094	0.4
142.07645	0.3
143.04996	0.5
143.08543	0.4
145.06462	0.6
147.69965	0.3
159.08041	0.5
159.11664	0.7
167.08542	0.7
169.06461	0.5
171.07959	0.5
171.11742	0.4
173.05981	1.2
175.03947	0.3
177.05429	0.5
181.06734	0.4
185.05927	0.8
185.09566	0.5
189.05435	1.8
193.04967	0.4
195.08084	0.9
198.06783	1.2
199.07556	0.7
201.05600	1.6
205.05031	1.6
213.09033	0.7
215.07126	1.4
217.04916	1.4
217.08656	0.4
219.06410	0.4
223.55327	0.3
227.07008	1.3
229.04985	3.7
231.06509	0.6
236.05028	0.6
241.08617	15.6
243.06548	7.1
244.07315	9.6
258.27930	4.0
259.09668	100.0
259.28262	2.4
260.09967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	Peucedanin
Peak:m/z	Relative Intensity
53.03931	0.5
55.01877	2.2
55.05507	0.4
56.96545	0.3
65.03956	0.3
67.05497	0.9
69.03427	0.4
69.07056	0.6
69.28539	2.2
75.69981	0.2
79.05502	1.5
81.03420	0.6
81.07051	0.9
83.01338	1.4
83.04985	1.3
85.02901	0.8
89.03925	0.4
91.05489	3.5
93.07035	0.8
95.04975	0.6
95.08591	0.6
97.06530	0.8
99.04460	13.6
103.05447	0.3
105.03397	3.2
105.07021	1.0
107.04957	0.5
107.08607	0.5
109.02868	1.0
111.04446	2.1
112.05213	0.8
115.05450	2.6
117.07031	9.4
119.08578	0.7
121.02893	0.3
121.06499	0.8
121.10115	0.3
123.04433	0.7
127.03922	3.4
128.06213	1.1
129.07025	4.2
131.04953	0.5
131.08586	0.4
133.06508	0.5
133.10207	0.6
135.04416	0.5
141.06960	1.2
142.06276	3.4
142.07436	0.4
142.07794	0.4
143.08525	1.5
144.05699	0.4
145.02916	0.3
145.06497	0.5
145.10104	0.5
147.04424	0.9
149.02354	0.3
149.05969	1.2
152.06238	0.8
153.07028	0.5
155.08575	1.5
157.06477	0.6
157.10152	0.9
158.07278	1.0
159.04425	0.5
159.11618	0.3
161.05994	3.2
163.03914	1.5
165.07042	0.9
166.07784	0.5
167.08575	2.9
169.06503	0.4
171.04395	0.9
171.08061	0.9
171.11749	0.3
173.02435	0.4
175.07538	0.5
177.05458	0.3
181.06564	0.4
181.10127	1.5
183.08060	1.4
185.06012	1.0
185.09671	1.7
187.03902	0.6
189.05467	0.7
189.09122	0.3
195.08046	3.6
198.06776	1.1
199.07538	1.6
199.11221	1.0
199.14835	0.3
201.16408	0.5
203.07069	0.4
203.10611	0.4
205.05000	0.7
209.09590	1.0
213.05466	1.3
213.09068	1.8
215.07053	0.9
216.07828	0.3
217.05000	1.4
223.07523	0.4
227.07043	3.7
227.10683	1.0
229.04996	0.8
241.08607	10.4
243.06543	3.0
244.07339	6.1
259.09677	100.0
260.09918	1.1
274.80341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	2',4',6'-Trihydroxydihydrochalcone
Peak:m/z	Relative Intensity
53.03937	0.5
67.88939	0.3
68.99799	7.2
71.37462	0.5
79.05494	2.9
81.03422	0.8
81.07090	0.5
87.00874	0.7
88.36462	0.3
91.05489	20.2
93.07062	0.5
95.05010	0.4
99.04456	0.7
103.05470	1.7
105.03426	1.1
105.07041	100.0
107.08572	0.5
109.02876	1.4
111.00819	11.1
117.06998	0.6
119.08604	0.7
127.03929	95.3
128.04292	0.6
129.07048	1.0
131.08563	1.0
133.06494	4.3
133.10179	0.4
143.08598	0.5
145.10094	0.6
146.09659	0.4
157.10062	0.4
159.11823	0.4
175.07555	3.8
177.05492	1.0
201.16493	0.7
217.08670	0.6
241.08664	0.5
243.06628	0.4
259.09662	9.8
259.20630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	2',4',6'-Trihydroxydihydrochalcone
Peak:m/z	Relative Intensity
55.05501	1.0
55.33862	0.4
65.03952	0.8
67.05505	1.6
68.99799	5.5
69.03442	0.5
69.07076	1.2
69.84151	1.9
78.55904	0.4
79.05492	2.5
81.03443	0.6
81.07069	1.9
87.00836	4.6
91.05484	37.2
93.07055	0.9
95.01349	0.4
95.04973	0.7
95.08627	1.0
97.02884	1.8
98.20847	0.6
102.42886	0.4
103.05468	1.3
105.07034	100.0
106.07392	0.8
107.08588	1.5
109.02872	1.0
109.10153	0.7
111.00809	5.9
115.05502	0.4
117.07047	1.5
119.08607	0.9
121.10135	1.0
123.11727	1.0
125.02338	0.5
127.03922	24.4
128.06198	0.7
129.01804	0.7
129.07014	4.1
130.07697	0.4
131.08582	4.9
133.06494	5.6
133.10158	0.6
135.11673	0.5
143.08556	1.9
145.06473	0.8
145.10124	4.6
146.09660	0.8
147.08028	0.6
149.13268	0.8
153.07047	0.5
155.08554	0.9
157.06473	1.6
161.13304	0.7
167.03445	0.5
167.08562	0.6
168.04172	0.8
171.08044	0.5
173.09593	1.2
175.07562	5.7
175.14821	0.6
189.16380	0.5
191.10599	0.5
195.08049	0.8
199.07535	0.8
201.16347	0.7
217.08543	0.7
241.08664	1.6
243.06561	0.5
244.07321	0.9
259.09674	56.5
259.16846	0.9
259.20541	1.3
259.24246	2.2
260.09955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0966
Annotation	PTAEROXYLIN
Peak:m/z	Relative Intensity
55.01871	1.0
55.05511	0.1
55.57608	0.1
59.26821	0.1
59.94939	0.1
65.03941	0.1
67.05482	0.2
69.91624	0.1
70.61176	0.3
84.07916	0.1
91.05468	0.3
101.02386	0.6
105.07058	0.5
115.05469	0.2
117.06991	0.2
119.04970	0.1
119.08575	0.1
123.04473	0.1
127.03938	0.2
128.06207	0.3
129.06952	0.3
131.04897	0.1
131.08566	0.2
135.04430	0.1
141.06960	0.2
142.07755	0.2
143.04932	0.5
143.08557	0.5
145.06482	0.5
152.06250	0.2
154.07736	0.2
155.04900	0.1
157.06454	0.3
159.04407	0.3
159.08049	0.6
161.05954	0.4
161.09645	0.1
163.03952	0.2
167.08568	0.5
169.06451	0.9
169.07625	0.1
170.07285	0.4
171.08046	0.6
173.05983	1.8
175.03889	0.2
175.07549	0.1
177.05499	0.4
179.08525	0.1
181.06432	0.1
183.04385	0.1
184.05190	0.3
185.06024	0.4
185.09630	0.4
187.07571	0.3
189.05453	1.7
193.04889	0.5
195.08081	1.4
197.05980	0.2
198.06750	1.2
199.07524	0.8
200.97662	0.1
201.05440	1.4
201.16454	0.1
202.01654	0.1
202.06181	0.2
203.07039	0.3
205.04977	1.8
213.09099	1.2
215.07025	1.2
216.04216	0.2
216.07764	0.3
217.04979	1.7
217.08456	0.5
219.06509	0.2
223.07474	0.2
227.07002	1.4
229.04974	3.5
229.08412	0.1
230.05608	0.3
231.06593	0.4
231.10156	0.3
241.08600	16.1
242.08871	0.1
243.06528	8.2
244.07312	9.9
245.07535	0.1
257.08154	0.2
259.09656	100.0
260.10028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0966
Annotation	Ptaeroxylin
Peak:m/z	Relative Intensity
55.01880	1.7
55.05506	0.4
58.12345	0.2
63.60197	0.2
67.05480	0.4
70.80305	0.8
78.38509	0.3
79.05465	0.3
82.02370	0.3
83.01363	0.3
91.05486	0.4
101.02375	0.7
105.07020	1.2
115.05476	0.5
117.06943	0.4
119.08546	0.3
123.04385	0.3
128.06215	0.4
129.07025	0.5
131.04945	0.3
131.08627	0.3
132.30627	0.2
142.07774	0.4
143.04913	0.7
143.08559	0.6
144.37315	0.3
145.06479	0.8
152.06215	0.3
157.06512	0.3
159.08060	0.6
161.05997	0.7
165.95409	0.3
167.08588	0.6
169.06458	1.6
170.07294	0.7
171.04413	0.3
171.08026	0.7
173.05994	2.9
175.03905	0.3
176.04874	0.4
177.05441	0.5
181.06494	0.4
184.05190	0.4
185.05975	0.7
185.09627	0.5
185.57462	0.2
189.05463	3.3
193.04961	0.7
195.08101	1.2
198.06740	1.5
199.07568	1.2
201.05519	2.0
203.07172	0.3
205.04991	2.6
213.09192	1.3
215.07057	2.0
216.04268	0.4
216.07826	0.3
217.04930	2.0
217.08578	0.5
226.06075	0.3
227.07036	1.7
229.04962	4.8
230.05588	0.6
231.06468	0.7
231.10136	0.4
241.08607	18.3
243.06560	11.4
244.07321	12.1
257.07990	0.5
259.09674	100.0
260.10004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
53.03944	1.7
55.01868	1.9
55.05513	1.6
55.85642	0.9
56.96556	4.3
65.03947	1.8
67.05511	2.8
68.99798	5.6
69.03428	1.8
69.07079	1.5
70.96375	1.1
79.05491	6.7
81.07054	3.5
81.79737	1.3
83.05005	1.4
85.06572	1.0
89.03866	1.1
91.05488	67.2
92.00951	1.0
93.07027	2.2
95.04976	1.7
95.08614	2.9
98.97601	5.0
103.05471	10.7
105.03411	5.3
105.07038	47.2
107.04975	12.6
107.08611	2.2
109.02973	1.2
109.06525	3.4
109.10155	1.5
116.98594	1.8
117.07024	2.5
119.04992	2.1
119.08602	5.2
121.02914	1.7
121.10191	2.0
123.04433	3.2
128.06229	2.6
128.98645	1.3
129.07045	6.1
131.04932	3.4
131.08586	2.3
133.10130	3.6
135.04424	64.6
137.05989	13.5
141.06970	2.2
143.08554	6.5
145.10123	5.9
147.11646	2.0
150.03090	1.8
152.06219	2.2
153.06981	1.9
157.10155	2.7
159.11711	2.2
163.03922	95.3
165.06931	2.5
166.07710	0.9
167.03487	1.1
167.08588	7.6
171.08112	3.2
171.11652	1.5
173.13205	1.2
177.07047	2.8
178.07819	2.8
179.08591	4.6
181.04948	4.0
181.06374	2.0
185.09605	1.4
185.13274	1.9
195.08078	6.0
197.09668	1.2
199.07573	2.0
199.14836	1.9
201.16435	2.9
203.04453	1.7
213.09099	13.8
215.10695	5.2
223.07590	8.1
226.06335	1.5
241.08611	100.0
241.19624	1.1
242.08965	2.3
253.64250	1.0
259.05762	1.7
259.06711	1.4
259.09686	26.8
259.12885	1.5
259.16971	3.8
259.20578	6.1
284.06735	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	259.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01888	2.2
56.96566	33.9
57.03442	8.3
58.06604	2.4
61.02914	6.8
61.64851	1.3
69.03432	20.2
70.06594	4.8
70.98112	4.1
70.99866	1.6
71.01350	1.3
71.04999	9.0
71.56617	1.3
71.57038	1.5
72.08157	1.6
73.02921	9.9
77.00780	1.6
81.03416	10.7
81.69075	1.3
83.04992	1.9
84.08144	6.7
84.96040	3.0
85.02912	29.7
85.06547	3.3
85.81386	1.4
86.03677	2.1
87.04466	5.5
89.00781	3.2
90.01550	1.5
91.02327	1.8
91.03954	1.8
94.06570	2.1
95.00772	3.4
97.02325	9.2
97.02894	29.3
97.96848	1.6
98.97593	48.8
99.02072	4.1
99.04472	3.1
100.02194	5.7
100.07607	2.8
100.99142	5.7
101.00797	5.0
101.02397	1.5
102.01539	2.2
104.01255	1.3
106.02865	7.1
109.02902	5.3
110.01276	3.8
110.97554	9.1
111.02048	3.0
111.09212	6.3
112.07603	7.0
112.99141	29.6
113.05981	3.7
114.09164	10.5
115.02358	2.4
115.03322	2.5
115.09554	1.6
116.03102	1.8
116.98615	12.2
117.02054	4.6
118.02844	5.3
119.00220	2.1
119.01874	9.0
124.02834	3.2
124.99125	2.2
125.03638	1.9
126.02608	2.2
127.00674	5.7
127.03979	8.6
127.04762	1.3
128.07027	1.5
128.98604	6.0
129.02054	1.8
129.10213	2.5
130.02832	2.1
130.08623	2.6
131.00171	18.3
131.01775	2.5
131.03586	2.2
133.03358	8.3
138.02626	2.4
138.05492	1.6
139.03392	5.1
140.02318	4.7
140.98581	2.8
143.00203	2.7
145.01733	7.9
145.05009	3.6
146.02654	5.6
146.99684	1.6
147.03120	4.9
148.03868	5.8
149.01205	8.0
149.02879	2.8
153.03064	2.3
154.01967	1.4
154.03857	5.2
154.08646	7.5
155.03043	1.6
156.03696	7.8
157.01733	4.5
157.04497	2.0
158.99678	7.0
160.03899	4.0
161.01244	4.7
161.55676	3.1
162.03644	9.7
162.05478	1.7
163.02786	4.8
163.04413	4.0
168.56477	1.5
169.04407	54.2
169.54514	2.6
171.04182	21.7
172.05016	2.9
173.01239	3.4
173.02962	2.0
175.02783	8.3
177.00755	4.4
178.04939	100.0
178.55095	6.8
179.02304	5.2
184.04930	3.6
187.02820	3.1
187.05443	2.7
189.55769	5.6
191.02307	2.7
191.03915	2.7
193.03908	9.9
193.05386	2.0
196.08156	1.5
196.09630	8.1
205.03859	1.8
209.03300	2.1
211.04953	3.3
214.10750	8.7
217.03748	1.9
219.01744	2.3
220.04202	1.7
223.05054	1.6
223.14354	1.7
235.01173	2.3
235.04950	6.3
237.02777	2.1
241.15459	2.1
250.07222	8.2
259.04691	2.6
259.07684	19.7
259.14096	2.6
259.16541	45.9
277.07797	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79594	0.6
53.03944	0.7
55.01873	0.6
55.05511	1.0
56.96568	10.7
57.03442	1.5
61.02933	1.0
67.04238	2.9
69.03424	2.2
69.97513	2.1
70.06596	1.4
70.98125	2.4
71.05001	0.8
72.08156	1.6
73.02913	1.3
74.00664	6.6
81.03427	1.1
82.06586	0.8
84.08150	3.0
84.96024	1.1
85.02903	3.2
97.02914	3.5
98.21420	0.5
98.97588	15.8
99.02611	0.5
99.04439	0.6
100.02208	100.0
100.07586	0.9
100.97181	1.0
100.99164	1.0
104.01254	0.6
110.97556	4.2
111.09229	1.0
112.07599	1.7
112.99136	2.2
114.09196	0.6
116.03201	0.5
116.98618	5.3
118.03245	3.7
120.01157	0.8
124.99117	1.0
127.00719	0.8
127.03949	1.0
128.07091	0.9
128.98643	2.4
129.10271	0.7
130.06487	0.8
130.08615	1.0
131.00224	1.2
133.03348	0.7
134.99649	1.3
136.93059	0.6
137.05966	0.7
140.98604	3.3
143.00166	1.1
143.08104	0.5
145.01781	1.1
146.02713	97.7
147.03108	1.0
155.04704	2.8
155.54839	2.0
156.98132	1.2
157.01802	0.6
157.03644	0.6
157.07747	0.5
158.99663	8.8
161.01227	1.0
162.03607	1.1
167.07010	0.7
169.04465	1.6
170.99686	1.0
171.04279	0.7
173.01247	0.7
174.99229	0.8
175.02795	0.8
177.00716	6.1
177.04250	0.7
178.04970	3.9
178.55119	0.6
189.00722	1.0
198.99236	0.7
199.02724	0.6
205.00352	0.6
208.02777	0.8
213.06935	21.6
217.00163	5.0
219.01897	1.2
229.03809	0.6
235.01265	3.7
237.02875	1.6
259.04828	0.7
259.07492	21.2
259.13873	0.9
259.16611	5.1
276.97861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57779	0.5
53.03957	0.9
55.01879	3.3
55.05518	43.6
56.96570	0.9
60.04530	9.5
67.16733	0.5
69.07080	12.5
70.02956	7.4
71.58166	0.7
74.50443	0.5
79.05499	0.9
83.08629	45.1
88.04002	54.1
88.46443	0.6
91.05471	0.8
92.10787	0.7
93.07050	0.9
96.19973	0.6
97.06541	2.0
98.97576	3.1
102.05553	100.0
107.08581	0.7
111.08086	6.8
113.02390	1.0
117.32751	0.6
130.05019	2.8
138.09158	2.3
148.06062	98.0
158.99657	0.9
162.01843	0.7
163.03888	1.1
163.07576	0.7
173.01154	0.9
180.10220	12.5
198.11310	3.9
212.12845	9.7
215.07213	0.8
226.10805	1.8
240.12350	2.6
244.99701	0.8
258.13409	50.3
267.12994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04519	3.2
53.03939	9.0
55.01868	12.4
55.05502	7.8
56.96567	60.5
57.03435	20.0
61.02938	23.5
63.00055	3.1
65.03946	6.8
67.05516	31.8
68.99816	3.4
69.03077	4.4
69.03435	75.5
69.07066	10.0
69.18797	30.0
70.06590	10.6
70.98064	3.3
71.01355	3.8
71.04990	13.5
71.95281	3.1
72.08147	6.3
73.02914	16.5
73.06561	4.2
79.05495	9.2
81.03415	25.7
81.04541	38.1
81.07058	12.4
82.06561	6.8
83.04983	4.2
83.06102	4.2
84.04499	6.5
84.08161	19.4
84.46462	3.2
84.96056	16.9
85.02910	88.6
86.09688	8.4
87.04473	17.9
91.03960	5.9
91.05473	5.4
95.05001	15.8
95.06093	29.0
97.02902	89.7
97.03954	5.7
98.09730	3.3
98.97591	99.8
99.02661	8.9
99.04449	13.7
100.02222	8.4
100.07614	22.9
101.02302	4.2
101.06032	4.6
107.05009	3.7
109.02900	18.5
110.06065	3.7
110.97569	40.9
111.04468	5.5
112.07612	7.2
112.99129	7.6
115.05348	3.0
115.97890	3.1
116.98637	29.6
117.41199	3.3
119.01829	6.5
119.04964	4.2
121.10293	2.9
122.06091	3.6
124.02148	5.5
124.03944	5.3
124.99168	6.0
125.04335	5.3
125.07127	35.5
127.02152	7.8
127.03934	32.4
128.02359	4.8
128.98613	38.7
131.00169	6.9
134.99687	4.6
136.07701	3.7
137.05975	17.6
138.05516	80.1
140.07068	4.1
140.98668	4.2
141.05536	4.5
143.00174	10.5
143.08162	30.2
144.98135	5.3
145.04967	14.1
146.01297	7.2
146.02711	11.4
146.99638	19.1
149.01263	5.2
152.01593	5.1
157.01587	3.7
157.07503	4.0
158.99661	16.7
161.01233	10.8
162.55223	2.9
164.02361	6.1
168.04741	4.5
169.04915	5.6
170.02718	100.0
170.04131	6.3
170.99661	9.3
177.00728	11.8
178.03870	24.9
179.00194	6.0
181.01624	3.9
182.03372	9.4
187.04338	24.5
189.00745	5.7
191.03844	5.0
193.01765	8.0
195.01849	3.7
197.01205	9.2
199.02888	5.6
199.07570	3.7
201.00726	12.9
209.01167	4.4
211.02814	12.0
213.07028	6.4
217.03699	3.4
219.01785	56.9
219.07324	3.8
229.03845	14.4
231.06674	4.0
235.01212	5.3
237.02827	80.1
241.05083	3.2
241.11995	5.6
241.15549	21.7
242.04810	5.8
250.06007	10.2
259.04196	10.9
259.06552	65.6
259.16559	86.5
259.56635	5.0
277.07922	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	257.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
53.60590	1.8
55.01873	3.0
55.05515	5.9
56.96572	4.1
57.07076	5.6
65.03938	2.8
67.05521	12.3
68.04432	2.3
69.03442	2.8
69.07085	11.6
69.07394	2.1
69.44373	13.1
71.04980	2.8
79.05501	13.5
81.03403	2.4
81.07056	13.6
83.08620	4.6
85.02892	4.4
85.06544	3.9
91.05491	23.9
93.07064	10.1
95.04987	4.1
95.08625	13.9
97.06544	4.7
98.20779	4.8
98.97591	9.0
99.08134	2.9
103.05487	8.1
105.07041	100.0
107.04926	3.9
107.08608	9.0
109.06495	5.0
109.10185	8.9
113.09660	3.3
115.05540	2.2
116.98576	2.4
117.07058	2.8
119.08596	9.2
121.06464	2.6
121.10162	7.5
123.04454	6.4
123.11730	4.4
125.09664	2.0
128.06192	3.9
129.07004	5.7
131.04942	4.4
131.08577	6.9
133.06509	8.1
133.07468	1.9
133.10136	10.1
135.11708	2.6
137.02405	2.6
137.06064	2.3
137.09509	2.2
141.07011	5.0
142.07780	4.1
143.08604	9.1
145.06601	2.6
145.10139	13.1
147.04388	5.9
147.08090	2.3
147.11720	8.1
149.13287	3.4
151.07628	1.9
153.01765	5.1
155.08569	7.5
156.09439	2.4
156.13869	4.0
157.10133	11.6
159.11705	8.9
161.05992	12.8
161.13319	4.5
162.05554	2.7
165.05524	4.0
168.09334	2.4
169.10181	4.7
170.10930	1.9
171.11702	6.7
173.01111	1.9
173.09604	2.4
173.13266	4.9
175.14786	2.2
179.07065	11.9
183.08081	5.3
183.11746	5.8
184.13420	3.4
185.13342	3.1
197.13271	8.0
199.14839	17.7
201.12756	3.0
203.03287	3.2
203.17950	2.7
211.07545	7.8
214.06389	3.2
221.15373	3.2
221.19098	18.1
229.08655	8.0
229.13429	2.9
239.07043	4.5
239.10730	6.5
239.17955	6.9
242.10434	2.6
248.73845	2.1
257.04541	9.0
257.08099	28.7
257.11694	23.1
257.15414	6.8
257.19055	29.8
257.22659	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	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.40111	0.5
53.03950	1.3
55.01875	1.2
55.05512	7.5
56.96565	0.6
57.03440	14.9
57.07084	1.4
65.03960	1.1
67.05508	14.1
68.99814	1.3
69.07065	4.4
69.45793	1.1
69.46206	3.3
70.77914	0.5
71.05013	0.6
77.90292	0.5
79.05496	9.2
81.07060	11.6
81.07515	0.8
83.05013	0.9
83.08630	3.6
85.06551	2.2
88.07641	0.7
91.05483	21.1
93.07057	7.7
95.04992	1.4
95.08608	9.8
95.09158	0.8
97.06537	1.2
97.10185	0.7
98.97593	2.1
99.08092	4.0
102.87147	0.5
103.05489	2.2
105.07037	19.2
107.04981	1.2
107.08589	4.9
109.06540	2.7
109.10156	3.3
111.08064	1.5
115.05466	5.1
116.06263	2.2
116.98616	1.3
117.07021	38.5
117.96574	0.5
119.04888	0.9
119.08586	13.2
121.06525	2.6
121.10143	3.6
122.32009	0.6
123.08087	1.0
128.06224	9.1
128.07118	0.8
129.07014	32.8
130.07788	3.8
131.04950	2.7
131.08572	34.9
133.06488	1.9
133.10118	7.4
134.99722	0.9
135.08102	0.8
135.11703	1.7
141.07004	7.2
141.35672	0.5
142.07785	4.9
143.08566	25.9
144.05745	1.2
144.09366	2.9
145.06461	1.4
145.10126	54.4
146.07448	0.7
147.04413	1.1
147.08029	1.7
147.11696	6.0
149.09671	1.8
151.03920	0.8
151.11200	0.6
152.06186	0.5
153.01839	3.3
153.06978	2.5
154.07799	2.0
155.06033	0.6
155.08554	12.1
156.09370	1.0
157.06477	1.3
157.10135	24.9
158.07257	2.1
158.10835	0.9
159.04422	1.0
159.08084	2.4
159.11699	39.6
161.09595	2.9
161.13245	2.5
163.11147	1.4
165.06992	1.8
166.04446	1.3
167.08525	0.8
168.05711	1.4
168.09326	1.8
169.06461	1.4
169.10144	13.1
170.10928	1.5
171.08093	1.5
171.11720	10.2
172.08755	0.6
173.06020	1.7
173.09662	2.6
173.13274	13.0
175.05072	2.9
175.11232	3.1
175.14868	0.8
177.12692	0.6
181.10164	1.2
182.03941	0.7
182.07275	0.7
182.10899	1.1
183.04500	0.6
183.08069	3.6
183.11687	14.2
184.05473	4.5
184.12288	0.6
185.05983	3.4
185.13269	78.2
186.06718	0.8
186.13721	1.1
187.03940	5.1
187.11206	2.4
187.14856	1.5
189.04716	3.1
189.12717	0.9
191.06920	0.7
191.14386	0.6
195.08040	0.7
195.11655	0.6
196.55937	1.6
197.06012	1.6
197.09621	0.6
197.13272	10.5
198.05241	4.3
198.06760	1.0
199.03905	0.7
199.07558	1.3
199.14813	3.9
201.05576	0.6
201.09125	2.9
201.12711	1.4
201.16383	6.6
203.03383	7.5
203.54889	0.6
205.56412	2.2
208.93517	0.6
209.54810	1.4
210.06862	0.6
210.14056	1.5
211.04262	3.3
211.07549	5.1
211.14842	4.0
212.01730	2.4
213.05492	13.9
213.09070	1.5
213.16382	1.8
214.06174	3.6
215.03419	1.0
215.14359	1.5
216.56812	1.1
218.55389	16.1
219.05064	1.3
220.04749	3.2
220.56963	1.0
222.55078	1.1
225.05421	0.9
225.09100	1.1
226.06517	1.5
226.09900	0.9
227.03554	0.9
227.07027	3.9
227.55916	3.6
229.08536	5.1
229.19534	6.3
230.02701	0.7
230.06203	4.7
231.57411	1.5
239.07025	17.4
239.17950	25.7
240.58000	0.7
241.04964	3.9
242.05704	8.4
246.05255	7.3
257.08078	100.0
257.11691	4.6
257.19012	91.4
257.26633	4.0
258.08380	2.1
258.19342	1.5
258.27893	2.7
274.97464	1.1
277.69873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03943	1.4
55.01871	1.3
55.05505	3.5
56.96560	3.6
57.07069	2.7
62.96957	1.0
65.03973	0.9
67.05505	6.5
69.03395	1.3
69.07064	7.5
69.57106	7.1
71.05007	5.6
72.08096	1.1
79.05495	8.6
81.07059	6.9
83.05003	1.2
83.08614	3.5
85.06546	4.7
91.05488	12.3
93.07057	15.0
95.04958	5.2
95.08616	12.7
97.06535	1.8
98.97590	6.5
103.05486	1.8
105.07031	23.7
107.04950	2.4
107.08599	15.2
109.06540	6.7
109.10178	10.3
111.08058	1.9
115.05451	3.3
115.30311	0.9
116.98613	3.3
117.07002	5.4
117.88893	0.9
119.07791	1.5
119.08588	20.2
121.06522	9.4
121.10154	60.7
123.08071	4.2
123.11674	2.5
128.06201	4.1
129.07028	6.4
130.07741	2.1
131.04916	3.2
131.08578	15.5
133.06505	1.1
133.07603	2.1
133.10132	10.5
134.99603	1.1
135.08061	12.3
135.11697	1.9
137.09613	4.8
141.06941	2.2
142.07771	9.2
143.08569	17.2
144.05768	1.4
144.09337	2.9
145.06561	1.3
145.10132	20.9
147.08072	1.6
147.11676	3.2
149.05978	7.5
149.09676	4.9
151.11157	1.8
153.01846	2.5
153.07057	1.2
154.07782	1.2
155.08592	10.5
156.09380	5.0
157.10136	24.1
158.07257	3.0
158.10905	4.3
159.08015	3.4
159.11702	25.5
161.09587	3.2
161.13271	2.5
163.11211	4.8
165.06947	1.9
167.08649	1.7
168.05725	1.3
168.09352	3.3
169.10129	11.3
170.10925	2.4
171.11691	11.7
172.12532	1.1
173.09703	4.9
173.13263	33.0
174.14040	4.1
175.03957	5.4
175.11142	1.7
175.14844	2.5
177.12791	2.9
181.10132	2.6
182.10959	3.2
183.08076	2.8
183.11726	12.8
184.12459	4.5
185.06041	1.0
185.13295	4.3
187.11176	7.5
187.14807	6.0
189.12746	3.2
195.11682	2.1
197.09532	1.5
197.13269	10.6
199.14833	36.6
201.12744	7.9
209.13298	2.2
211.07553	17.5
211.14864	3.0
213.16391	11.8
214.06310	2.5
214.17130	2.4
215.14362	3.9
215.17915	8.8
224.08582	1.1
224.15494	2.1
225.09140	1.2
229.08643	15.9
229.15947	1.2
239.07022	5.6
239.17958	13.9
242.05792	3.0
244.04507	1.0
257.05814	1.2
257.08124	40.2
257.11942	7.5
257.15140	4.3
257.19031	100.0
257.26630	13.0
258.27887	2.8
274.97546	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03935	2.5
55.01884	2.1
55.05519	9.9
55.33005	2.0
56.96564	10.5
57.34283	2.1
67.05505	22.1
69.07060	8.3
69.93672	10.8
70.49476	2.0
71.04986	3.6
79.05490	15.8
81.07063	18.7
83.08613	4.0
83.70020	2.0
85.06540	4.8
91.05474	25.5
93.07049	15.0
95.04967	4.0
95.08611	14.0
98.20826	3.4
98.97580	19.8
103.05443	5.2
105.07035	33.2
107.08591	14.7
109.06538	3.4
109.10156	10.7
111.08085	3.5
115.05489	5.5
116.98618	9.5
117.07030	27.3
119.08604	21.4
121.06509	3.8
121.09303	4.2
121.10149	58.5
122.10489	2.0
123.08116	3.4
123.11728	2.8
128.06212	7.6
129.07022	19.5
130.07774	3.9
131.04944	5.6
131.08583	51.7
133.06479	2.1
133.10126	10.6
135.08038	12.0
137.02295	2.6
137.09595	4.2
141.06999	9.1
142.07765	5.7
143.08577	29.4
145.10127	73.0
147.11665	5.2
149.09637	5.2
153.01843	6.7
155.08585	12.3
156.09332	3.3
157.10127	28.7
159.08072	3.5
159.11702	31.6
169.10120	16.9
171.11697	28.5
173.09659	3.0
173.13268	22.3
175.11211	3.5
183.08012	2.7
183.11719	25.1
185.13257	6.5
187.11191	4.8
189.12694	2.5
197.13260	16.9
199.14833	27.6
201.12718	3.8
211.07552	5.6
211.14830	2.7
213.16414	7.1
215.14316	2.6
215.17931	4.4
229.08626	3.7
229.19469	2.4
236.60167	2.2
239.07088	4.7
239.17966	33.1
256.66138	4.4
257.08127	27.2
257.10718	3.1
257.12442	2.8
257.15112	10.3
257.19025	100.0
257.26743	5.9
258.28000	5.5
274.97464	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03939	2.1
55.01869	1.7
55.05518	12.0
56.96569	1.3
57.03448	1.9
57.07062	1.7
60.87355	1.0
65.03931	1.6
66.83234	0.8
66.92690	0.9
67.05167	1.7
67.05510	27.0
69.03403	0.9
69.07079	6.2
71.04970	3.1
71.58021	1.5
79.05064	1.0
79.05496	12.3
80.25784	1.0
81.07063	24.9
83.04974	2.2
83.08636	4.8
83.09066	1.1
85.06532	2.5
91.05485	19.7
93.07045	11.0
95.04932	3.1
95.08613	20.3
97.06528	3.1
97.10155	1.2
98.97594	2.6
99.08118	1.6
103.05492	1.9
105.06367	1.8
105.07037	21.0
107.04937	2.3
107.08602	9.7
109.06532	1.9
109.10162	7.6
110.04757	1.0
111.08080	1.4
115.05479	3.5
116.06253	2.3
117.07027	30.1
119.08594	18.0
121.06478	2.0
121.10125	4.8
123.08041	2.5
123.11692	1.4
127.11198	1.3
128.06236	5.4
129.07019	16.5
130.07796	6.1
131.04945	1.2
131.08580	56.3
133.06490	3.3
133.10165	10.6
135.08078	2.5
135.11697	3.2
137.02286	1.4
137.09598	3.5
141.06998	9.0
142.07809	4.7
143.08568	19.6
144.09326	1.8
145.06493	3.5
145.10132	84.1
147.08058	3.9
147.11716	7.1
149.09621	3.0
149.13269	1.4
153.07018	1.3
154.07780	2.2
155.08563	10.6
156.09354	1.6
157.10144	23.0
159.08009	3.1
159.11697	30.1
161.09642	5.0
161.13272	3.5
163.11189	1.7
165.06868	1.1
165.12781	1.4
168.09331	1.3
169.10144	15.9
171.11707	21.2
173.09647	4.3
173.13268	14.8
175.11136	5.5
177.12819	1.4
181.10138	1.7
182.10907	1.1
183.11691	14.5
184.12389	1.1
185.13339	5.4
187.11153	5.7
187.14824	3.1
189.12762	3.2
189.35422	1.0
195.11714	1.0
197.13268	13.2
199.14798	6.3
201.12703	5.0
203.17960	2.3
209.13354	1.0
211.07562	2.8
211.14838	4.2
213.16418	3.8
215.14375	4.2
215.17967	2.4
221.19070	1.4
229.08595	2.8
229.15959	0.9
229.19534	5.0
239.07068	1.6
239.17950	34.1
257.04529	2.2
257.08142	8.0
257.11871	2.3
257.19040	100.0
258.19318	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	257.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01892	1.3
55.05515	5.1
56.96352	0.8
56.96571	7.8
57.03426	1.6
57.07080	1.8
65.03954	0.9
67.05511	8.4
69.03443	1.3
69.07065	7.1
69.80550	4.9
71.04978	3.5
71.58836	0.8
72.08186	0.9
78.78465	0.7
79.05493	6.4
81.07059	10.2
83.04984	2.4
83.08613	2.1
85.06543	3.8
91.04953	1.6
91.05486	18.4
93.07048	8.9
95.04967	2.7
95.08611	12.3
97.02898	0.8
97.06593	1.0
97.30307	0.9
98.81199	0.9
98.97588	9.7
103.05478	3.1
105.07038	15.7
107.04962	4.2
107.08588	8.5
109.06535	3.8
109.10169	6.1
111.08109	1.5
115.05447	1.8
116.98625	6.2
117.07019	11.8
118.04134	1.2
119.04918	2.5
119.08587	14.5
121.06511	19.3
121.10149	14.6
123.04403	2.4
123.08096	1.9
123.11708	2.1
125.09585	1.5
128.06227	4.1
129.07011	9.2
130.07780	2.0
131.04933	3.8
131.08575	21.8
133.06505	3.5
133.10153	11.2
134.07259	2.2
134.99686	1.9
135.04451	1.7
135.08063	5.7
135.11667	2.4
137.02304	2.5
137.05980	3.8
137.09625	4.2
141.07014	4.8
142.07791	5.2
143.08560	15.3
144.09363	1.9
145.06548	1.6
145.10135	36.5
145.11290	2.1
147.04424	1.8
147.08066	6.0
147.11700	3.9
149.05986	7.5
149.09666	2.0
151.11154	1.1
153.01819	5.3
153.07007	1.5
154.07805	1.6
155.08554	8.9
156.09305	4.4
157.10133	24.1
158.07367	1.0
158.10951	3.5
159.08063	3.0
159.11688	27.4
161.09642	2.9
161.13243	2.4
163.11229	2.7
165.07021	4.1
167.08519	1.7
168.09418	2.7
169.10159	10.5
170.10948	2.4
171.11694	14.7
173.09695	4.7
173.13289	23.9
174.14081	1.8
175.03949	0.9
175.11154	4.6
175.14821	2.6
181.06554	2.0
181.10101	1.3
182.07300	1.2
182.10919	1.7
183.08063	2.6
183.11691	11.6
184.12531	2.7
185.13268	7.9
187.02351	1.5
187.07716	1.1
187.11160	4.7
187.14809	5.1
189.02144	0.9
189.12744	2.2
190.95471	1.3
194.56058	1.1
195.11784	1.4
196.02853	1.7
196.12357	1.1
197.09621	1.9
197.13240	12.5
198.14059	1.1
199.07680	1.4
199.14836	17.9
201.12740	5.8
210.06717	1.4
210.14017	1.1
210.52985	2.0
211.03340	2.7
211.07581	4.0
211.14818	4.0
211.51907	2.2
213.16370	6.8
214.17223	2.0
215.14301	2.7
215.17941	4.6
224.15665	1.5
225.09232	3.9
226.09836	1.9
229.08636	2.9
229.19493	1.9
234.05638	1.7
239.07117	7.4
239.17961	15.6
242.05768	1.0
242.09442	1.3
243.06010	7.5
252.06586	2.5
254.56836	1.4
257.08115	19.3
257.11786	28.8
257.15155	100.0
257.19031	79.5
257.26550	2.8
258.15793	1.1
274.97491	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	257.1174
Annotation	AK-087/42718243
Peak:m/z	Relative Intensity
53.03945	1.1
55.01857	1.2
55.05498	0.6
56.96594	0.2
57.03424	0.9
65.03931	0.5
67.01863	0.6
67.05524	1.2
67.15355	0.3
68.99786	0.5
69.03427	0.4
71.58117	0.3
77.03925	0.8
79.05499	8.0
81.03422	1.1
81.07050	0.9
83.04984	0.5
85.02917	2.9
91.05486	18.0
91.96101	0.3
93.07063	0.7
95.04984	2.1
95.08612	1.4
97.02893	0.3
98.97578	1.5
103.05478	7.7
105.07038	100.0
106.07384	0.4
107.04965	2.2
107.08597	0.5
109.06527	0.7
109.10173	0.4
115.05457	1.2
116.98642	0.4
117.07021	0.8
119.04957	0.9
119.08576	0.8
121.06477	0.4
123.04446	1.9
123.08079	2.3
124.08401	0.9
128.06262	0.4
129.07040	2.5
131.04942	4.7
131.08601	1.6
133.06494	8.7
133.10118	0.7
135.04439	0.5
137.02351	6.1
137.05998	0.7
141.07005	1.2
143.08589	1.1
145.06471	0.4
145.10110	1.2
147.04410	2.8
148.05222	0.5
151.03961	0.3
151.07516	1.2
152.06137	0.3
153.01837	11.2
153.07071	0.7
155.08559	1.8
157.10181	1.1
158.99657	0.3
159.11743	0.7
161.05994	12.8
165.05521	3.0
165.07048	2.2
166.06310	0.3
167.08597	0.5
167.10655	0.3
168.05725	0.3
169.06601	0.3
169.10172	0.6
171.02901	1.1
171.11722	1.0
171.34894	0.3
173.06075	0.3
173.13274	0.6
175.11241	0.3
178.07822	0.5
179.03477	0.4
179.07051	10.4
181.06403	0.3
183.08064	8.7
183.11696	1.0
184.08585	0.4
185.13275	0.3
193.10170	0.4
197.05954	0.3
197.13339	0.5
199.14827	1.2
211.04193	0.3
211.07558	5.3
211.11023	0.5
213.16560	0.3
215.14403	0.3
224.08424	0.3
229.08615	1.5
239.06992	1.1
239.10698	8.7
239.18010	1.0
257.08179	11.7
257.11801	25.6
257.19095	2.5
257.22720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0812
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
53.03947	0.7
56.19133	0.3
56.96552	0.8
60.01388	0.3
61.72538	0.3
65.03941	0.7
67.05497	0.5
68.99796	1.8
69.03449	0.3
71.31081	0.7
79.05509	0.3
80.21603	0.3
81.03423	7.7
91.05492	6.9
95.01342	0.3
95.04981	1.9
95.08620	0.5
96.02111	0.9
98.97604	0.4
105.07055	0.8
107.04956	1.4
109.02874	1.1
109.10162	0.5
111.04441	1.3
117.03395	3.2
117.07077	0.3
119.04955	15.3
123.04432	3.1
127.03921	0.9
131.08603	0.5
135.04428	1.0
137.02350	100.0
138.02693	0.6
141.06990	0.6
144.24184	0.3
145.10149	0.6
147.04420	33.3
153.07008	0.7
155.03450	1.4
155.08571	0.5
157.10098	0.5
158.39268	0.3
158.99722	0.3
159.11777	0.3
163.03918	2.4
165.07069	2.1
169.06529	0.5
171.08118	0.6
183.08080	1.2
187.07530	0.9
197.06003	1.1
210.15610	0.3
211.07564	5.1
214.06230	0.5
215.07022	0.4
222.03723	0.4
229.08696	0.5
239.07037	5.4
242.05750	2.9
254.57863	0.4
257.08105	78.4
257.18967	1.1
258.08444	1.8
269.32840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0811
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
53.03949	0.9
54.42284	0.4
55.01863	2.8
55.05506	0.7
55.43566	0.4
55.83131	0.5
56.96565	0.6
57.07085	0.6
65.03960	0.5
67.05506	1.8
68.99796	0.8
69.03429	0.5
69.07066	0.9
69.41554	3.8
71.04963	0.5
79.05505	3.6
81.03426	3.7
81.07059	1.6
85.02905	1.3
85.06564	0.5
91.05488	11.9
93.07079	0.7
95.04967	1.7
95.08613	1.9
97.70413	0.4
98.21532	1.0
98.97582	1.7
103.05471	7.8
105.03416	1.3
105.07037	30.8
107.04959	1.8
107.08604	1.1
109.10152	1.4
111.69225	0.4
115.05458	2.2
116.98634	0.6
117.07015	1.2
119.04916	0.7
119.08581	1.1
121.10154	0.7
123.04416	1.3
123.08050	2.2
124.08334	0.7
128.06213	0.8
129.06973	2.1
131.00304	0.4
131.04955	4.5
131.08557	2.0
133.06529	2.3
133.10126	0.8
135.04390	0.5
135.08089	0.5
137.02347	73.1
138.02693	0.5
141.06996	4.1
143.08614	1.1
144.85316	0.4
145.06448	0.5
145.10129	2.0
147.04408	1.4
147.11690	0.7
151.03889	0.7
152.06197	1.2
153.01831	8.5
153.06987	5.5
154.07771	1.0
155.07341	0.9
155.08559	9.6
156.09288	0.4
157.10106	1.6
158.99643	0.6
159.08057	0.5
159.11700	1.5
161.05975	3.8
165.07004	22.6
166.07426	0.5
167.08574	0.8
168.05702	0.7
169.06468	0.6
169.10167	1.0
171.02876	1.3
171.11708	1.4
173.01250	0.6
173.09547	0.7
173.13269	1.2
177.07007	1.1
179.07019	2.2
181.06497	2.5
182.07257	1.4
183.08063	100.0
184.08423	1.1
185.13255	0.5
193.07707	4.7
197.05988	0.6
197.13261	1.5
199.14850	2.7
201.12813	0.5
210.06847	0.9
211.07556	63.9
212.07866	0.8
229.08595	1.2
239.07043	11.8
239.10551	2.2
239.17946	0.9
257.04193	0.7
257.08087	17.0
257.11722	7.1
257.15240	1.0
257.18982	4.7
257.22659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.081
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
53.03944	0.5
55.01868	0.5
65.59660	0.3
67.01874	2.4
68.99808	1.5
69.03429	1.5
69.07085	0.5
69.78586	1.4
69.78994	0.8
79.05494	2.9
91.05500	2.6
95.04964	0.8
97.02902	0.8
98.97583	0.8
103.05471	22.7
105.03403	0.9
105.04526	0.3
105.07043	0.5
107.04961	3.2
111.00816	0.7
117.07027	0.6
119.97472	0.4
123.04442	1.3
129.06956	0.4
131.04932	44.9
145.06505	1.0
145.10182	0.9
145.97768	0.4
147.08096	0.5
151.03899	2.8
153.01833	100.0
154.02171	0.9
159.11597	0.5
171.02879	1.3
173.05980	2.4
179.03424	1.8
182.50241	0.4
191.07062	1.0
197.05867	0.4
198.57036	0.3
215.07069	1.5
229.08641	0.6
239.07008	0.8
256.26276	0.4
257.08093	95.2
257.26624	0.8
258.08401	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.081
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
53.03940	1.2
53.68530	0.4
59.48238	0.4
65.03944	0.6
67.05509	1.1
68.99776	2.2
79.05488	1.8
81.03424	7.3
81.07053	1.9
83.55112	0.5
91.05492	9.8
93.07059	0.7
95.04974	2.9
95.08601	0.9
95.80894	0.4
96.02122	0.9
103.05488	0.8
105.03439	0.6
105.07034	17.4
107.04991	2.3
107.08593	0.6
107.99924	0.5
109.02868	0.6
109.10143	1.1
111.04445	1.7
117.03368	3.4
119.04954	16.4
119.08580	1.0
121.10170	1.0
123.04437	5.6
127.03930	0.6
129.06973	1.1
131.08521	0.8
133.06487	1.6
135.04465	0.7
137.02347	100.0
138.02690	0.6
141.06999	1.5
143.08592	0.8
145.06473	0.6
145.10115	1.1
147.04424	36.1
153.06973	1.1
155.03413	0.9
155.08586	0.9
156.02628	0.5
157.10170	1.4
159.11630	0.7
161.05988	1.3
163.03912	3.1
165.05769	0.5
165.07010	3.2
165.83031	0.5
169.06461	1.5
169.10118	0.8
171.08104	0.9
171.11647	0.6
179.07024	1.9
183.08099	2.5
183.11768	0.5
184.12491	0.6
187.07571	0.8
196.68784	0.5
197.05972	1.9
197.13261	1.0
199.14795	2.5
211.07549	6.6
215.07054	0.5
229.08549	1.1
229.16119	0.5
239.07059	11.5
239.10738	1.1
239.18057	1.1
242.05797	2.5
257.08102	87.2
257.11676	3.2
257.18912	3.0
258.08536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.60131	0.2
55.05508	0.3
56.96560	0.4
58.06590	0.3
70.06540	0.2
71.04985	0.7
71.09782	0.4
71.10159	0.2
78.03466	0.9
78.04374	0.2
80.05022	3.5
85.02898	0.2
88.16090	0.2
95.58389	0.2
96.04493	1.9
98.97578	0.6
106.02939	0.3
116.98666	0.4
119.66412	0.2
124.03959	100.0
125.04309	0.8
133.05028	0.3
140.03421	0.3
158.99614	0.2
210.07645	0.4
215.57335	0.2
238.07101	0.3
256.08170	8.5
256.26447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0948
Annotation	Ketorolac (tromethamine salt)
Peak:m/z	Relative Intensity
59.27565	2.7
62.67102	2.8
65.19334	2.6
65.98887	3.1
70.72718	8.4
72.08144	3.2
123.05510	3.7
124.05901	5.3
200.50302	3.3
206.42796	2.9
256.09476	100.0
271.44870	2.9
274.11316	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	256.9647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88461	0.2
52.59501	0.2
54.98642	0.3
56.96572	11.1
65.87507	0.2
69.24597	1.4
69.25011	0.5
71.95270	3.3
74.11754	0.3
76.23598	0.2
98.97590	100.0
99.97917	0.2
107.15195	0.2
112.92241	0.3
116.98631	36.5
130.93307	1.4
134.99667	6.8
140.00189	1.0
150.78798	0.2
154.93355	0.3
158.01239	0.3
172.94359	5.6
190.95403	2.6
208.96483	0.5
214.95390	2.5
232.96460	4.7
245.68155	0.2
250.97534	1.5
256.94354	0.3
256.96466	12.1
274.97525	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98657	0.3
56.96571	12.4
61.02938	0.3
63.13341	0.3
65.26125	0.2
66.21943	0.3
67.48255	0.2
69.03423	0.3
69.85410	1.3
70.25926	0.3
70.98129	0.3
71.95268	3.9
72.13281	0.3
84.08137	0.4
85.02909	0.8
97.02877	0.6
98.97591	100.0
99.04464	0.3
108.14776	0.3
110.97536	0.4
112.99123	0.3
116.98632	35.5
123.61037	0.3
130.93297	1.6
131.00197	0.5
134.99669	6.6
140.00203	0.6
153.00722	0.4
154.93237	0.3
158.01385	0.3
172.94354	5.3
175.84895	0.3
176.03326	0.3
190.95389	2.9
191.03745	0.3
192.56261	0.3
198.11259	0.4
208.96448	0.4
214.95432	1.9
215.63174	0.3
232.96466	4.8
250.97441	1.2
256.96439	10.4
257.15057	0.6
274.97528	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	255.1017
Annotation	7-Methoxyflavanone
Peak:m/z	Relative Intensity
53.03936	1.0
55.05489	0.8
55.41964	0.6
56.96601	0.6
57.03416	0.6
59.15244	0.6
65.03933	1.0
67.05510	1.8
69.07076	1.4
79.05498	4.2
81.07051	1.5
83.54946	0.7
91.05486	5.0
93.07051	1.7
95.04979	11.0
95.08621	1.3
98.21573	1.5
98.98473	6.8
103.05473	41.5
105.07037	2.1
107.04945	3.8
107.08617	1.2
108.02116	1.2
111.04448	0.8
121.06519	1.9
123.04420	2.0
131.04936	58.7
133.06517	0.7
135.11702	1.5
149.05995	2.6
151.03915	90.3
157.10124	0.8
165.06946	1.5
166.07866	2.5
167.07140	0.8
169.04979	2.9
171.11737	0.9
176.98769	0.7
177.05498	4.8
177.06920	1.2
178.07745	1.2
194.07262	5.3
197.05922	1.4
205.06433	1.5
209.09648	22.2
209.11591	1.3
213.09181	0.8
227.10678	3.1
232.76385	0.7
237.09163	5.8
240.07817	8.2
249.43994	0.7
255.10182	100.0
255.17473	2.0
255.21141	2.4
256.10556	1.7
258.87076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1017
Annotation	7-Methoxyflavanone
Peak:m/z	Relative Intensity
53.62890	0.5
67.05483	0.6
69.85748	1.9
69.86151	1.3
71.01732	0.6
79.05490	2.6
83.06386	0.6
91.05495	3.0
92.05822	1.0
95.04969	8.8
95.08621	1.4
96.65833	0.6
98.20802	0.7
98.98494	0.5
103.05476	35.0
105.03411	1.1
105.07042	0.7
107.04955	1.5
108.02130	1.2
121.06517	1.9
123.04445	1.7
131.04936	51.6
149.05966	2.7
151.03914	86.1
165.07004	1.1
166.07758	1.4
169.05011	3.0
177.05505	4.5
177.06918	0.9
178.07774	1.9
179.08585	0.8
194.07248	4.1
197.05902	1.1
205.06473	1.3
209.09639	19.8
213.09157	0.6
227.10693	2.2
237.09061	5.8
240.07791	6.8
255.10185	100.0
256.10583	1.5
270.65866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92618	4.3
53.67072	4.5
55.01844	5.3
55.05510	11.3
56.96574	7.7
57.03434	5.5
57.65430	4.9
60.98024	4.4
67.05495	13.7
67.81487	4.7
69.07071	13.6
69.11887	5.2
71.04998	12.3
71.58004	7.0
71.58359	6.1
79.05495	14.9
81.03429	7.0
81.07067	20.2
83.04992	6.0
83.08620	10.6
85.06551	71.3
91.05486	20.7
92.91902	4.9
93.07050	20.3
95.08614	22.3
97.06517	7.3
98.97571	6.4
98.98485	29.8
105.07043	23.2
107.04971	5.3
107.08615	17.7
109.10175	16.0
119.08611	27.8
121.06546	7.5
121.10139	19.0
125.09637	15.5
130.47255	4.9
131.04948	18.3
131.08585	15.6
133.10130	13.8
135.11736	11.8
143.08519	8.2
144.09431	5.7
145.10138	17.9
147.04301	5.9
151.03824	6.5
153.06975	6.4
157.06490	7.4
157.10173	6.9
159.11714	97.4
161.13310	20.5
171.08038	6.9
171.11681	13.1
173.13326	8.2
175.14844	6.3
177.16429	7.2
181.06435	11.0
185.06015	7.0
195.08113	7.4
197.11598	5.9
197.13255	8.6
199.07573	17.6
201.16411	54.0
207.05325	5.4
212.04654	9.9
219.17456	38.5
227.07054	17.0
227.10619	6.1
237.18555	13.8
255.06567	100.0
255.10255	17.9
255.17677	32.4
255.21201	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	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01872	2.6
55.05515	1.1
56.96572	10.3
56.96849	1.1
57.03234	0.4
57.03447	5.2
58.06596	0.9
59.04986	1.0
61.02931	2.6
67.05514	0.8
69.03431	4.8
70.06600	0.6
70.98119	0.8
71.01357	1.4
71.04993	1.6
71.55298	0.7
72.08157	0.6
73.02933	3.6
75.04081	0.5
75.04504	0.6
78.03466	1.2
80.05028	2.6
81.03432	2.1
81.07060	0.6
83.04986	0.7
84.08137	1.7
84.96042	1.3
85.02908	6.4
86.03695	1.1
87.04468	1.2
90.38342	0.5
90.79951	0.5
95.08538	0.5
96.04486	1.4
97.02895	3.9
97.96837	1.1
98.97593	8.2
98.98470	0.9
99.04482	0.6
101.00851	0.9
102.05559	0.6
102.96873	0.6
103.03938	0.6
106.02917	6.5
109.02902	1.5
110.07157	1.0
110.97584	3.5
112.99179	1.4
113.05982	0.7
115.03937	2.2
116.01350	0.5
116.98647	2.5
119.01886	0.6
123.05563	100.0
124.03966	6.8
124.05911	0.8
126.09073	0.5
127.00768	0.8
127.03879	1.1
128.57642	0.6
128.98613	2.0
130.05083	0.6
131.00185	1.0
131.01875	0.5
133.05016	1.7
140.98575	0.9
142.08662	0.5
143.00215	1.3
144.99951	0.6
145.01682	0.8
145.03485	0.8
146.99637	0.5
147.03033	0.5
153.06653	0.6
154.06992	0.6
156.03391	0.7
158.99663	1.8
161.01259	1.1
161.04736	0.7
163.04465	0.5
165.88014	0.6
168.03510	0.6
168.05449	0.8
169.04495	1.2
173.01175	1.1
174.11232	2.6
174.55272	0.7
174.99306	0.7
175.02742	0.7
177.00677	0.6
178.04984	0.8
182.03409	0.8
182.05122	1.0
184.04959	0.8
186.04419	0.6
188.05951	0.6
189.04265	0.8
190.98582	0.5
191.05760	2.9
193.03783	0.6
196.04884	0.8
201.00731	1.0
205.05444	1.1
207.05217	2.5
208.99663	0.7
213.05548	1.2
214.03935	1.2
215.02325	0.8
219.01859	1.7
223.01385	0.7
223.06596	1.8
230.97929	0.8
231.06628	0.9
232.04945	1.0
232.07072	1.9
237.02872	0.7
248.99274	0.5
255.06219	1.2
255.10126	0.7
255.13477	1.4
256.10126	1.4
269.05368	0.7
274.11472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	33.8
56.96558	35.5
57.07066	40.9
67.05485	25.0
69.07063	25.4
71.08627	22.4
71.56047	22.0
79.05531	15.8
81.03433	16.5
81.07047	48.7
83.04985	24.7
83.07378	15.4
91.05473	99.7
92.05836	40.7
93.07049	27.8
95.08596	64.4
98.98473	100.0
105.07032	41.3
106.07352	27.2
107.08634	18.9
109.10180	32.6
119.08549	23.6
121.10185	41.1
135.11752	19.5
139.11191	15.5
142.42549	17.3
161.13222	30.0
167.29187	14.9
201.16447	22.7
214.73080	15.1
237.18445	14.7
239.06812	14.4
254.09039	53.1
255.06474	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0652
Annotation	5,3'-Dihydroxyflavone
Peak:m/z	Relative Intensity
55.01870	0.2
56.96568	0.1
58.48227	0.1
65.03924	0.5
66.59276	0.1
67.05484	0.2
68.99443	0.2
68.99792	2.4
69.03421	0.4
69.07062	0.3
71.56717	0.1
74.06483	0.1
79.05474	0.2
81.03421	1.2
81.07050	0.4
83.04959	0.2
83.08627	0.1
86.84607	0.1
91.05481	1.4
93.10642	0.1
95.01313	0.5
95.08631	0.2
97.06523	0.2
98.98452	0.5
103.05437	0.4
104.98212	0.1
107.08584	0.2
109.02877	0.7
109.10098	0.1
111.04433	0.7
119.04945	4.3
121.02866	0.8
121.03954	0.3
121.06506	0.4
127.03918	0.3
128.06175	0.2
131.04903	0.2
131.08589	0.2
137.02341	9.3
141.06996	0.4
143.08459	0.1
145.02849	6.1
152.06160	0.1
153.06993	0.3
155.03400	1.9
157.06491	0.3
165.07037	0.2
169.06471	0.7
171.08015	0.3
181.06465	0.6
187.07558	0.3
199.07506	0.4
213.05402	0.3
227.07056	1.1
237.05475	0.2
255.06520	100.0
256.06876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0654
Annotation	Daidzein
Peak:m/z	Relative Intensity
55.01867	0.8
55.05517	0.3
59.91807	0.2
65.03955	0.5
67.05508	0.5
68.99796	0.4
69.03431	0.2
69.07060	0.6
69.44331	1.5
71.04984	0.2
79.05453	0.2
81.03414	0.5
81.07050	0.6
83.04944	0.2
83.08616	0.3
85.06554	0.2
89.03936	0.3
91.05486	3.5
93.07025	0.3
95.08607	0.7
97.10162	0.2
98.21461	0.4
98.98461	0.6
99.04458	0.2
100.11265	0.4
103.05448	0.2
105.03392	0.4
107.08598	0.5
109.10130	0.3
115.05482	0.3
117.23094	0.2
119.04958	1.7
119.08562	0.2
121.02861	0.6
121.06510	0.3
127.03871	0.2
128.06215	1.2
129.07027	1.4
131.04938	0.5
131.08543	0.4
133.02837	1.0
134.03622	0.3
137.02348	9.7
141.07025	0.3
143.08551	0.9
145.02838	1.7
145.10110	0.2
147.04471	0.2
149.02341	0.8
152.06262	0.9
153.07007	3.4
154.12280	0.2
157.06491	2.0
159.08109	0.2
165.07022	0.3
169.06462	0.3
171.08063	2.1
171.14983	0.4
181.06476	5.6
182.07230	0.2
184.05199	0.7
185.05989	0.5
197.06027	0.6
198.06708	0.5
199.07565	14.5
209.05887	0.6
210.06706	0.3
211.07520	0.3
212.04799	0.4
226.06276	0.3
227.07036	6.5
237.05472	3.1
255.06532	100.0
256.06927	1.2
257.42325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05505	1.1
55.66328	0.7
56.96566	14.3
57.03411	1.9
57.07026	0.8
58.89134	0.9
60.08167	90.1
61.02927	1.3
61.08524	0.9
65.03947	6.7
67.05475	1.3
69.03462	4.0
69.07073	1.1
70.06562	3.0
70.21461	2.7
71.04968	0.9
73.02909	2.1
79.05469	1.5
81.03405	1.8
81.04523	1.0
81.07040	1.4
82.06574	0.8
83.04943	1.4
84.04489	1.0
84.08132	2.3
84.96030	1.9
85.02904	5.1
86.09666	0.9
91.05485	9.1
93.03410	24.2
93.07005	1.4
95.04934	2.0
95.06068	1.6
95.08612	1.5
97.02879	3.8
98.06008	1.8
98.97036	0.8
98.97593	10.0
98.98469	5.0
103.05434	0.9
107.04896	1.3
109.02814	0.9
109.07594	1.8
110.03634	2.3
110.07159	4.8
110.97539	1.6
111.04444	17.7
111.07476	0.9
112.99134	2.0
113.90734	0.9
115.00647	1.0
115.08671	2.5
116.98647	4.2
119.04939	5.9
120.34281	0.8
121.06531	4.4
121.07607	0.7
122.02348	1.9
125.06001	48.5
127.03939	1.3
128.98558	1.7
130.08647	1.3
131.00166	1.5
134.03639	0.8
136.06136	4.4
137.05821	1.2
140.98616	0.9
143.00136	2.1
149.05989	94.0
151.07538	1.8
152.91049	1.0
153.05475	100.0
153.06598	5.9
156.03337	7.9
158.99588	3.8
161.01144	1.3
161.04712	1.2
163.03862	1.7
163.12292	1.2
167.07033	0.9
167.11763	2.0
170.05022	0.9
170.99654	1.4
172.26602	0.9
173.01064	1.1
174.04410	7.8
175.04268	1.2
176.06979	1.4
177.05501	5.5
179.54329	0.8
182.05150	1.2
185.01215	1.1
187.02678	1.6
189.00662	1.9
190.08603	0.9
190.91913	1.1
192.05284	1.3
195.04495	2.8
195.06535	71.1
195.11290	4.7
198.04558	1.0
208.14523	2.2
213.05487	21.1
214.03853	1.2
218.08104	1.4
219.01726	1.8
231.01659	2.3
231.06606	15.7
234.60246	1.0
236.09090	1.1
237.02765	1.0
249.02768	2.9
254.05444	0.9
254.13806	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0661
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
55.01853	0.3
55.03902	0.2
65.03938	3.8
65.42197	0.2
69.03439	0.2
70.02960	1.0
70.06614	0.2
71.57682	0.2
71.58053	0.2
72.08142	0.2
74.02437	0.8
75.28491	0.2
80.02611	0.3
84.08121	0.4
86.09720	0.3
88.03990	1.8
91.05494	0.2
93.03419	1.1
94.35538	0.2
95.04977	0.2
97.02927	0.2
98.97589	0.3
98.98480	0.5
111.04460	0.7
116.03473	0.6
120.08099	0.8
120.08864	0.3
121.02872	100.0
121.12073	0.2
122.03205	0.7
129.10201	0.3
134.04489	2.3
139.03925	0.4
153.06566	0.3
162.05460	0.4
170.04417	0.2
194.08247	0.3
203.31664	0.2
208.06020	0.2
208.08420	0.2
236.05539	1.0
254.06676	0.8
254.10060	2.9
254.14915	0.7
254.17570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03943	4.0
55.01864	3.4
55.05512	6.2
57.03434	1.5
58.00225	1.0
65.03965	1.4
67.05510	13.8
69.03419	4.3
69.07082	5.5
69.42948	4.8
69.43365	3.3
71.04677	1.0
71.05008	7.7
79.05057	1.9
79.05499	28.0
81.07065	44.1
83.05002	6.6
83.08600	2.2
85.02888	2.0
85.06533	4.8
91.05491	17.8
93.06468	2.4
93.07053	44.2
94.07365	1.2
95.04987	12.9
95.08619	14.7
97.02868	1.4
97.06534	16.0
98.98473	17.2
99.04475	5.6
105.04533	1.3
105.07040	28.6
105.33499	1.1
107.04951	5.9
107.08604	21.6
109.05782	2.1
109.06519	32.6
109.10164	3.6
111.04408	1.3
111.08097	4.0
113.05988	3.9
117.07043	2.7
119.04953	1.8
119.08593	19.2
121.06513	100.0
121.10151	2.6
123.04426	4.3
123.08069	5.7
123.11691	1.6
124.24213	1.2
125.05985	3.4
127.07561	12.5
128.06256	1.4
129.06998	4.7
131.08554	4.5
133.06467	3.4
133.10117	6.6
135.04445	5.8
135.08084	12.1
137.05956	5.7
139.07547	17.5
141.05444	1.9
142.07761	4.3
143.07002	1.5
143.07553	1.2
143.08556	10.7
145.06453	1.8
145.10098	6.2
147.08044	4.4
147.10515	1.2
147.11691	25.4
151.07570	2.1
153.06976	1.3
155.08505	1.2
156.09332	4.3
157.06529	1.3
157.08791	2.1
157.10147	15.6
159.08067	1.3
159.11740	1.3
161.05940	1.8
161.09625	1.8
161.13266	14.8
163.11111	1.4
163.14796	1.1
165.07014	3.6
165.12761	4.1
166.07758	4.8
171.08031	1.3
171.11696	15.2
173.09630	2.8
174.10431	1.1
174.88000	1.0
175.11205	14.3
181.10135	4.5
184.08832	1.4
189.12743	21.9
191.14388	1.3
193.12234	17.0
199.11197	36.0
207.13788	9.2
211.13342	2.0
217.12259	87.3
231.32538	1.1
235.13303	31.3
253.14313	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1661
Annotation	Hexazinone
Peak:m/z	Relative Intensity
54.03481	2.7
55.05501	0.7
56.05043	1.2
56.96563	2.2
58.06596	0.7
59.06126	1.7
60.04529	48.2
66.70776	0.5
67.05499	0.6
67.08961	0.4
69.03448	1.2
69.04549	0.7
69.07072	3.1
71.04993	2.3
71.35188	0.8
71.35547	0.5
72.08160	1.0
74.02423	0.6
79.05498	0.9
79.88679	0.5
81.04546	65.4
81.07047	1.4
83.06134	0.8
83.08617	0.5
84.04525	0.7
84.08151	0.9
85.02939	0.8
86.09713	8.1
87.04482	0.7
87.05608	1.9
87.08134	0.6
91.05513	1.4
91.47427	0.5
93.07040	0.9
95.04915	0.6
97.02896	1.4
98.09679	0.9
98.97578	2.6
98.98473	25.2
98.99117	1.3
103.05480	2.0
104.10753	9.5
105.07038	1.2
107.04980	1.5
107.06082	2.0
110.06048	0.7
110.07174	15.2
114.09190	2.2
116.10795	0.5
116.98640	1.0
116.99493	0.5
120.08116	80.5
121.02873	0.7
121.06535	0.7
121.08440	1.0
122.07161	38.5
124.08723	59.6
125.09100	0.7
131.04942	2.0
132.08073	0.7
137.05951	0.7
138.09036	0.6
140.08226	1.6
144.08095	2.3
149.05983	1.6
149.08218	0.6
158.38139	0.5
158.99684	1.0
159.02983	0.8
160.07535	0.6
162.09143	2.0
165.07719	0.6
166.08649	49.4
167.09023	0.6
167.11848	1.3
168.58115	0.5
174.99261	0.8
177.11345	2.7
187.02605	0.6
190.13446	1.2
193.19510	0.5
197.11752	0.7
207.11299	11.4
207.16119	1.1
208.09698	0.6
208.13287	1.6
219.05038	1.0
225.17116	51.6
235.10889	3.0
235.13425	0.7
235.15540	4.6
253.11969	5.6
253.16615	100.0
254.14101	1.0
254.16949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03940	3.4
55.01870	4.8
55.05519	9.8
56.96559	1.4
57.03433	1.8
58.06590	1.4
61.39785	1.7
62.18620	1.3
65.03942	2.9
67.05510	15.8
69.03430	5.5
69.07073	10.8
69.79291	3.5
69.79700	5.6
71.04989	11.4
77.03931	2.0
79.05500	29.9
80.01270	1.6
81.07064	52.9
83.04981	6.7
83.08628	3.4
84.08151	1.8
85.02942	2.1
85.06548	5.2
86.09692	1.7
91.05486	20.8
93.06461	2.9
93.07052	46.1
95.04986	15.4
95.08617	22.8
97.02899	2.2
97.06541	16.6
98.98475	60.4
99.04448	8.8
101.05976	1.6
105.07038	33.3
105.22585	1.4
107.04967	8.8
107.08611	26.2
109.06523	38.1
109.10162	7.6
111.08092	6.1
113.05984	5.7
117.07006	5.5
119.08575	19.3
121.06516	100.0
121.10133	5.8
122.06816	1.7
123.04427	4.1
123.08072	6.2
123.11673	2.2
125.05979	5.8
127.07589	11.6
127.08408	2.3
128.06242	3.2
129.07011	8.3
131.08554	7.6
133.06493	4.5
133.10155	13.7
135.04466	7.1
135.08058	10.8
135.11702	1.9
136.06174	2.7
137.05975	6.4
137.09644	3.4
139.07549	19.8
140.10652	1.8
141.05479	2.4
142.07753	4.2
143.07030	2.1
143.08562	9.6
145.06493	2.1
145.10146	7.6
147.08067	5.2
147.11688	31.5
149.09619	1.8
151.07544	2.3
151.11133	1.5
156.09351	4.5
157.06447	2.3
157.08659	3.1
157.10095	17.5
159.08002	2.5
161.09628	5.5
161.13251	13.5
163.14845	2.1
165.06992	3.5
165.09163	1.6
165.12726	3.0
166.07809	5.2
171.08134	2.0
171.11700	18.8
173.09711	2.2
173.13252	2.1
174.41385	1.4
175.11206	17.7
175.14824	2.9
181.10138	6.1
184.08839	2.8
189.12766	22.1
191.10683	1.9
191.14323	5.0
193.12257	20.0
197.11705	2.1
199.11205	37.5
207.13770	9.2
209.15445	3.1
211.13298	2.0
217.12256	84.3
217.15875	7.1
235.13318	36.9
235.16991	3.7
253.11794	3.8
253.14406	22.0
253.17958	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	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.5
54.13596	1.4
55.01873	4.3
55.05516	14.2
56.96286	3.3
56.96572	67.6
57.03444	12.0
57.07085	1.8
58.22005	1.4
60.04517	1.7
60.95856	5.5
61.02929	9.8
67.05521	1.5
69.03431	29.8
69.07061	3.1
70.06593	5.0
70.98130	2.5
71.04991	4.8
71.95251	2.9
72.08164	5.0
72.09652	1.3
73.02929	9.7
73.06564	25.6
73.36505	1.5
74.97628	1.7
79.05497	3.0
81.03421	7.8
81.07063	3.4
83.97654	1.5
84.08151	6.4
84.96040	6.8
85.02913	71.0
87.04490	7.8
90.01566	1.7
91.03942	2.5
91.05482	6.2
93.07058	3.2
94.06524	1.8
95.04984	3.9
96.08139	2.3
97.02290	2.5
97.02898	31.9
97.99214	2.9
98.97593	100.0
98.98473	51.4
99.04436	2.4
102.05596	2.1
102.96879	13.3
103.05522	2.3
104.98418	2.0
107.05006	1.4
109.02887	9.4
109.06582	2.3
110.06091	1.6
110.07162	6.8
110.97575	12.5
111.04464	2.9
112.07645	4.3
112.99164	9.6
115.00649	2.2
115.03976	3.5
115.08704	1.8
116.98639	33.6
117.03881	1.7
119.01877	2.0
119.04953	6.4
120.08119	64.1
120.97951	6.0
121.06460	1.8
122.03728	2.3
122.06017	1.8
124.07652	3.5
124.99119	2.8
125.06039	1.8
127.00698	5.9
127.03922	12.5
128.98627	10.8
129.02272	2.6
130.08617	3.0
131.00195	7.3
132.52312	1.9
134.99664	6.9
136.07625	3.4
137.05988	28.5
140.00220	3.0
141.02171	2.3
142.01761	1.9
143.00163	5.5
144.98055	2.7
145.01750	3.8
145.04974	11.6
146.04131	6.5
146.86551	1.6
146.99641	6.2
147.03313	3.6
147.04425	5.1
149.01228	3.0
150.05542	2.5
151.07629	2.0
152.98640	3.0
153.01799	2.0
153.06648	2.7
155.04674	40.7
156.03372	2.0
157.04340	2.0
158.99692	21.9
161.01254	3.9
162.05548	3.3
163.02763	2.9
163.06073	1.6
164.05257	8.5
165.00610	1.7
165.04456	2.2
170.99666	6.0
171.04471	1.9
171.54720	1.9
173.01286	1.7
174.99234	2.1
175.02802	2.0
177.00728	13.9
177.04187	1.7
179.00130	1.8
179.07068	2.3
180.55157	1.6
182.99677	3.1
185.01190	2.7
186.04340	1.8
186.53394	3.8
186.99161	2.4
187.02840	4.4
187.54234	4.3
188.03539	1.8
189.00726	6.5
189.04391	2.4
193.00134	5.3
194.09261	9.3
195.11310	1.9
195.53954	4.4
196.06776	1.9
196.54733	6.2
199.04326	2.0
201.00731	3.4
205.03911	3.3
207.01799	4.5
208.04790	2.7
209.05872	3.8
211.01012	4.4
212.02298	4.3
213.00639	2.2
219.01770	13.4
228.01811	5.4
229.00092	2.8
229.07352	3.7
230.03415	5.9
231.01826	7.4
235.02884	4.3
235.04973	3.5
235.07106	1.8
237.02823	12.3
242.03293	3.1
244.07878	10.3
244.57874	2.3
249.02943	6.0
252.55392	4.0
252.57568	5.6
253.08502	4.7
253.11696	2.8
253.15486	5.2
253.56348	5.4
254.09276	2.2
261.02917	1.9
271.05945	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	253.1185
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
54.03475	2.5
55.01888	0.5
55.05529	0.9
56.05045	0.8
56.47028	0.4
56.96576	1.9
57.03448	0.5
57.89313	0.5
59.06129	1.0
60.04531	62.4
61.18712	0.4
67.05505	1.1
69.03452	1.9
69.04547	0.6
69.07076	2.9
70.02954	1.3
70.06606	1.4
70.66674	1.3
71.05001	0.8
71.06110	0.6
72.08165	1.7
79.05510	1.6
81.04548	53.3
81.07054	1.5
82.06594	0.6
83.06094	0.6
84.08170	1.2
85.02913	1.5
86.09711	7.5
87.05598	2.1
87.08121	0.5
88.07648	0.7
91.05495	1.5
92.33599	0.6
93.04564	0.6
93.07053	1.7
95.04974	1.0
95.08651	0.8
97.02907	1.6
98.09723	1.0
98.97623	2.0
98.98477	33.6
103.05489	3.7
104.10761	8.6
105.07018	1.2
107.04984	1.6
107.06104	1.9
109.02886	0.6
110.06036	1.3
110.07179	13.6
114.09164	2.2
116.10760	1.2
116.98635	1.6
117.07054	0.5
120.08118	100.0
121.02892	0.9
121.08469	1.3
121.10252	0.5
122.07163	34.3
123.07980	1.8
124.08725	50.1
127.03969	1.0
129.10190	0.5
131.04926	2.4
132.08093	0.8
137.08234	0.6
138.09082	1.7
139.03882	0.6
139.09904	0.7
140.07170	0.6
140.08208	1.0
144.08136	2.7
149.05972	2.2
149.10815	1.1
150.06656	0.8
158.99666	1.3
159.02882	0.7
162.09135	2.9
165.07773	0.8
166.08653	55.2
167.09093	0.6
167.11821	0.7
177.00702	0.6
177.11446	2.5
187.02840	0.5
190.13426	1.2
191.08630	0.5
192.92300	0.5
194.09129	0.6
206.08160	0.8
207.11314	15.1
208.13254	0.9
219.05051	1.3
225.17117	44.9
229.72887	0.5
235.10837	3.7
235.15604	4.0
253.11977	8.3
253.16621	86.0
254.17108	0.6
271.03180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0858
Annotation	2859-88-3
Peak:m/z	Relative Intensity
50.56059	0.1
51.02374	0.2
53.03947	0.1
55.01874	0.4
55.05507	0.2
56.96568	0.2
57.07085	0.1
65.03605	0.1
65.03945	2.5
65.96592	0.1
67.05490	0.1
69.03427	0.2
69.07067	0.4
71.16655	0.2
74.64281	0.1
79.05499	0.3
81.03428	0.1
81.07062	0.4
83.01351	1.2
90.04674	0.1
91.05485	100.0
92.05830	0.8
93.07030	0.2
95.04945	0.1
95.08627	0.4
98.98471	5.5
102.43759	0.1
103.05479	0.2
105.03402	1.0
105.07021	0.8
107.08604	0.2
109.02914	0.2
109.10161	0.3
115.05437	0.3
117.07014	0.3
119.04985	0.5
119.08604	0.2
121.02880	0.2
121.10155	0.2
128.06233	0.3
129.07022	0.4
131.01363	0.1
133.10162	0.1
141.07008	1.3
143.08566	0.6
147.04414	1.8
147.11775	0.1
149.02342	0.7
152.06218	0.5
153.06985	0.5
154.07785	0.6
155.08571	0.8
157.06535	0.8
159.11794	0.1
165.06938	0.6
165.09146	0.1
166.07800	0.3
167.03413	0.6
167.08607	0.6
169.06454	0.2
169.10117	0.5
171.04327	0.1
171.08028	0.4
175.03914	9.3
175.14868	0.1
176.04276	0.2
177.07019	0.3
178.06613	0.1
178.07791	3.1
179.08568	5.1
181.06480	0.7
181.10114	0.1
182.07297	0.6
183.08032	0.6
189.07016	0.3
193.04959	0.4
193.06464	0.1
193.15886	0.1
195.08047	0.3
195.11873	0.1
197.06006	0.3
197.09659	1.8
197.11472	0.1
199.07567	2.1
206.07254	0.2
207.08063	2.9
208.08646	0.1
209.54819	0.1
210.06763	1.4
211.07556	1.7
218.05321	0.2
223.07541	0.3
224.08430	0.2
225.09126	5.3
235.07545	4.6
235.16914	0.2
238.06172	0.2
251.07004	0.4
253.08611	30.4
254.08893	0.5
271.09726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0862
Annotation	2859-88-3
Peak:m/z	Relative Intensity
55.01896	0.3
56.60926	0.2
65.03950	2.4
67.05510	0.3
69.03412	0.2
69.07082	0.3
69.43067	0.2
70.05188	0.8
81.07066	0.4
83.01357	0.7
91.05489	100.0
92.05845	0.9
93.07052	0.3
95.04984	0.3
95.08624	0.4
96.78725	0.2
98.20834	0.4
98.98474	7.3
105.03417	0.5
105.07047	0.7
109.02898	0.3
109.06470	0.2
109.10165	0.3
115.05531	0.3
119.04947	0.4
119.08591	0.2
124.08865	0.2
128.06248	0.4
133.10168	0.4
141.05484	0.6
141.07013	1.7
143.08540	0.5
147.04417	1.7
149.02341	0.5
152.06174	0.5
153.06992	0.4
154.07780	0.4
155.08533	0.5
157.06470	0.6
165.07034	0.7
166.07803	0.3
167.03423	0.7
167.08606	0.3
169.10153	0.5
171.08029	0.3
175.03928	8.9
178.07787	2.5
179.08582	4.2
181.06520	0.4
182.07278	0.5
183.08023	0.4
189.07149	0.2
193.04977	0.4
195.08009	0.5
197.05975	0.3
197.09621	1.2
199.07568	1.7
207.08078	2.6
210.06757	1.0
211.07539	1.1
221.61493	0.2
223.07611	0.4
225.09119	4.5
235.07561	3.7
235.16933	0.3
238.06239	0.3
251.07036	0.4
253.08629	24.5
254.08847	0.4
271.09711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.086
Annotation	2859-88-3
Peak:m/z	Relative Intensity
50.08132	0.1
55.01876	0.5
58.55854	0.1
65.03942	2.7
67.05499	0.1
68.03477	0.1
69.98976	0.6
81.07065	0.2
83.01345	1.4
87.67839	0.1
91.05482	100.0
92.05818	0.8
95.04971	0.2
98.98471	4.0
98.99120	0.3
101.70274	0.2
103.05466	0.2
105.03390	0.8
105.07021	0.3
107.08595	0.2
109.02904	0.2
109.10146	0.2
115.05491	0.3
117.07040	0.1
119.04941	0.6
119.08605	0.2
121.02885	0.2
128.06198	0.4
128.07135	0.2
129.07037	0.5
137.13211	0.1
138.28719	0.1
141.07001	1.3
143.08607	0.5
147.04445	1.8
147.11685	0.2
149.02341	0.6
152.06171	0.3
153.07008	0.6
154.07768	0.6
155.08569	0.6
157.06511	0.7
165.06963	0.7
166.07800	0.3
167.03395	0.5
167.08533	0.6
169.06538	0.2
169.10161	0.5
171.08057	0.4
175.03909	9.2
176.04366	0.1
178.07765	3.1
178.09190	0.3
179.08557	4.8
181.06425	0.7
182.07210	0.7
183.08031	0.4
189.06871	0.2
193.04955	0.2
197.06006	0.4
197.09674	1.4
197.11403	0.2
199.07547	1.9
203.96371	0.1
207.08043	2.9
210.06735	1.4
211.07549	1.5
218.05142	0.2
223.07591	0.4
225.09108	5.1
235.07535	4.3
238.06264	0.3
251.07056	0.3
253.08606	29.6
254.08925	0.6
271.09610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0861
Annotation	2859-88-3
Peak:m/z	Relative Intensity
50.01595	0.1
51.02382	0.1
51.49561	0.1
53.03949	0.2
55.01873	0.3
56.30316	0.1
56.96580	0.2
58.45596	0.1
59.58558	0.1
63.02395	0.2
65.03941	2.4
65.08961	0.1
67.05527	0.1
67.65948	0.1
71.36006	0.2
74.70542	0.1
76.87690	0.1
79.05482	0.2
81.03415	0.1
81.07056	0.2
83.01356	0.9
91.05484	100.0
92.05815	1.0
95.05005	0.1
97.70388	0.1
98.98474	2.9
103.05502	0.2
105.03395	0.8
109.10178	0.1
115.05436	0.2
117.06985	0.2
119.04975	0.4
121.02847	0.2
128.06248	0.3
129.07011	0.3
131.04932	0.1
135.36713	0.1
141.07004	1.1
143.08551	0.6
145.31889	0.1
147.04424	1.4
149.02350	0.4
152.06209	0.3
153.07010	0.7
154.07782	0.4
155.08556	0.4
157.06526	0.6
165.07004	0.6
166.07689	0.2
167.03430	0.4
167.08592	0.5
169.06563	0.2
169.10130	0.4
171.08083	0.4
175.03915	8.0
177.06969	0.2
178.06323	0.2
178.07787	2.6
179.08572	4.1
180.08878	0.1
181.06505	0.5
182.07254	0.7
183.08040	0.3
189.06941	0.1
193.04945	0.1
195.08051	0.2
197.05888	0.2
197.09637	1.6
199.07558	1.6
207.08057	2.0
209.06090	0.2
210.06789	1.0
211.07550	1.4
223.07516	0.4
224.08452	0.1
225.09116	4.2
235.07550	3.5
238.06276	0.2
251.06999	0.3
253.08607	25.4
254.08922	0.5
271.09616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.3
55.05518	0.5
55.34191	0.3
71.35263	0.4
74.02447	3.5
79.05489	0.5
79.58485	0.3
81.06718	0.3
81.07069	2.8
88.03996	5.4
91.05488	13.6
94.04053	1.3
98.97571	0.3
98.98476	1.3
105.03391	0.7
116.03450	2.3
119.03567	2.3
120.08089	0.5
134.04494	8.3
136.06194	100.0
137.04570	1.4
140.09183	0.3
163.93449	0.3
168.89708	0.3
173.43292	0.3
195.56122	0.3
206.08072	0.4
207.08057	0.5
224.13841	0.3
234.11115	0.5
234.13501	15.1
252.14574	53.3
253.14896	0.5
266.06766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.086
Annotation	2859-88-3
Peak:m/z	Relative Intensity
55.01869	0.5
58.57296	0.1
59.93378	0.1
63.02353	0.2
65.03940	2.1
66.09342	0.1
70.23320	0.4
70.23694	0.2
77.52410	0.1
83.01344	1.4
83.19493	0.1
85.52856	0.1
91.05483	100.0
92.05811	0.8
98.98463	1.1
103.05452	0.2
105.03379	0.8
105.07006	0.2
109.02861	0.2
110.84922	0.1
115.05454	0.4
117.07027	0.1
119.04958	0.5
121.02893	0.1
128.06224	0.4
129.06960	0.5
131.11177	0.1
141.07002	1.4
143.08568	0.5
147.04425	1.7
149.02368	0.9
149.15938	0.1
152.06221	0.3
153.06981	0.7
154.07800	0.6
155.06085	0.1
155.08531	0.4
157.06476	0.8
165.05679	0.2
165.06969	0.8
166.07784	0.2
167.03419	0.4
167.08601	0.5
169.06506	0.2
169.10158	0.4
171.08060	0.4
175.03915	9.7
176.06267	0.1
177.06998	0.2
178.07771	3.0
179.08569	5.3
180.09048	0.1
181.06441	0.6
182.07281	0.7
183.08109	0.5
189.06873	0.2
190.07759	0.1
193.04924	0.3
195.08022	0.2
197.05940	0.2
197.09657	1.5
199.07565	2.0
207.08040	2.9
208.08498	0.1
209.06007	0.3
210.06808	1.5
211.07556	1.4
223.07530	0.3
224.08415	0.2
225.09114	4.8
226.09517	0.1
235.07544	4.7
238.06230	0.2
251.07040	0.4
253.08604	29.0
254.08990	0.7
271.09711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0862
Annotation	2859-88-3
Peak:m/z	Relative Intensity
51.02380	0.1
53.53793	0.1
54.63590	0.1
55.01878	0.5
55.02113	0.1
55.05516	0.1
56.25416	0.1
56.96575	0.1
64.68613	0.1
65.03945	2.6
67.05510	0.1
69.07076	0.1
70.07738	0.1
71.25385	0.2
74.69450	0.1
79.05515	0.1
81.03427	0.2
81.07041	0.2
83.01342	0.9
87.73679	0.1
91.05483	100.0
92.05831	0.9
95.04999	0.1
95.08615	0.2
98.98468	3.8
103.05462	0.1
105.03421	0.6
105.07024	0.2
107.04906	0.1
109.02893	0.2
115.05456	0.3
117.07069	0.2
119.04975	0.5
121.02813	0.1
128.06250	0.3
129.07008	0.4
131.04950	0.1
141.07005	1.3
143.08575	0.4
145.06462	0.1
147.04417	1.3
149.02327	0.6
152.06226	0.3
153.07025	0.7
154.07799	0.4
155.08569	0.4
157.06485	0.8
165.07018	0.7
166.07784	0.4
167.03441	0.4
167.08601	0.5
169.06461	0.2
169.10141	0.4
171.04404	0.1
171.08044	0.2
175.03912	8.3
177.06984	0.1
178.07785	2.5
179.08566	4.7
181.06476	0.5
182.07272	0.6
183.08047	0.6
189.06996	0.2
193.04982	0.3
195.08083	0.2
197.05974	0.2
197.09634	1.2
199.07556	1.8
207.08055	2.3
209.06078	0.1
210.06776	1.2
211.07527	1.3
219.45876	0.1
223.07564	0.4
225.09111	4.7
226.09409	0.1
235.07529	3.8
238.06299	0.2
251.07213	0.2
253.08609	24.8
254.09013	0.6
271.09711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10385	0.8
60.05625	0.8
65.03934	1.3
70.02943	3.2
70.72172	1.5
74.02447	25.7
79.05483	1.3
81.07040	3.4
88.03996	43.3
91.05487	100.0
93.61013	0.7
94.04082	1.1
94.43922	0.7
97.61444	0.8
98.97565	1.4
98.98463	4.1
99.00803	0.9
105.03414	1.6
107.05008	0.9
116.03465	16.7
119.03535	2.3
120.08120	7.4
134.04497	53.7
136.06195	60.8
146.05969	1.0
150.52473	0.7
188.07040	1.4
195.61621	0.9
206.08116	5.2
207.07967	0.9
214.86452	0.8
234.07648	4.3
234.13524	9.1
252.08650	1.3
252.14563	30.0
267.94086	0.8
271.01331	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36072	0.5
70.02943	0.8
70.61402	0.5
70.61728	1.2
79.05476	0.7
81.07033	0.5
87.00850	2.8
91.05500	1.6
93.07049	1.5
98.98465	1.2
103.05479	7.0
118.06557	8.7
120.08116	100.0
121.08447	0.7
128.04976	1.9
131.04913	0.8
134.31609	0.4
136.06204	6.0
146.06027	16.0
152.53923	0.4
166.08685	1.5
175.00954	0.5
181.34634	0.5
188.07080	19.1
192.06557	1.1
206.08142	58.5
216.06422	0.6
234.07706	1.1
234.13538	0.8
252.08745	0.6
252.14496	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Sch 601254
Peak:m/z	Relative Intensity
53.25072	0.5
55.01881	0.6
55.05504	1.8
56.96569	2.6
57.07060	0.5
67.05489	2.0
69.03420	0.7
69.07094	3.0
71.04992	2.1
71.57674	0.9
73.95331	0.6
79.05514	1.6
81.07056	4.2
83.08645	1.0
85.06551	1.2
89.00729	0.5
91.05463	3.1
93.07049	5.3
95.04981	1.1
95.08601	3.6
97.06524	1.1
98.98473	100.0
101.99435	0.5
105.07033	6.5
107.08610	5.1
109.06535	1.4
109.10166	2.9
115.05476	1.3
116.98646	0.9
116.99529	1.6
119.08616	3.7
121.06481	1.3
121.10168	2.9
123.08079	1.6
123.11722	1.0
128.06229	0.8
128.98595	0.8
129.07010	1.6
131.08565	2.2
133.06500	1.0
133.10191	1.3
135.08081	1.2
135.11700	0.7
140.01089	0.7
140.87987	0.5
141.07005	4.4
145.10143	3.9
146.49376	0.5
147.08043	0.8
147.11691	10.3
149.09630	1.2
149.13297	1.0
150.68292	0.5
151.07558	4.4
152.06210	8.0
157.10138	1.0
159.11708	1.1
161.13303	0.7
163.07591	0.5
163.11205	2.2
163.14828	4.0
165.07013	6.6
165.09131	1.0
165.12791	2.9
166.02893	0.9
166.07762	2.0
167.08578	5.6
168.54581	0.6
169.06483	0.8
171.02043	0.7
173.09595	0.6
173.13283	1.2
174.99245	2.2
175.11157	3.4
176.06267	1.6
177.02107	0.8
177.07057	1.8
177.09097	0.9
178.07738	1.2
179.01855	0.6
181.10228	0.6
187.14844	1.6
191.10622	1.0
191.14360	1.1
193.10316	0.5
193.12236	2.7
194.02301	0.6
195.08046	2.9
197.05986	6.9
197.13237	0.9
201.03220	0.6
205.06482	1.3
205.15935	3.6
208.05232	4.6
215.14363	1.9
217.04387	5.0
223.07535	6.0
223.16823	0.6
226.05032	0.7
228.55533	0.7
233.15358	6.0
236.04628	1.5
237.05981	2.4
239.11118	0.6
251.07069	39.5
251.16302	7.6
252.07385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.0
57.03436	0.5
65.52312	0.6
69.03419	1.0
70.06585	0.6
70.47272	1.2
72.08141	1.6
79.05489	1.9
81.03423	1.0
81.07071	1.2
84.08134	1.0
85.02927	0.6
91.05488	3.1
93.07062	0.9
95.04964	1.0
95.08574	0.6
98.98473	41.0
99.91499	0.5
102.04689	0.6
103.05479	7.6
105.07029	1.9
107.04964	1.8
107.08588	1.1
109.06534	0.6
109.80558	0.5
111.23544	0.5
115.05470	5.7
116.98648	0.6
116.99450	0.6
117.03377	0.6
117.07019	7.5
118.04159	7.3
119.08552	1.2
120.08107	2.7
121.06520	1.1
123.08043	0.8
124.07554	0.7
127.05468	0.6
130.04153	4.4
131.04941	11.8
132.05661	0.7
133.06509	1.1
143.04961	0.9
145.06494	9.1
146.03616	1.1
146.07260	0.6
147.04445	1.4
147.08064	1.1
148.05151	2.8
149.05957	0.9
150.07721	0.6
151.07472	0.6
155.06018	2.3
159.04422	0.9
161.05956	1.5
163.07533	1.2
167.06981	0.6
173.05971	9.7
174.99182	1.3
175.07547	1.2
176.03259	0.9
176.04698	11.5
177.05394	1.2
191.07042	100.0
191.11804	1.7
192.07405	0.9
193.08508	0.7
205.08562	5.2
205.13393	1.2
206.11880	0.5
207.10141	1.2
219.01936	0.7
219.06694	0.7
233.08128	1.1
233.12833	2.5
233.15047	0.6
251.09131	1.5
251.13844	6.0
251.16591	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	251.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01875	1.4
55.05497	1.0
56.96568	43.3
57.03444	7.1
59.05001	1.5
59.22522	1.0
60.95851	3.6
61.02928	11.9
69.03437	14.9
70.06630	1.0
70.98115	3.5
71.05001	4.3
71.95274	2.5
72.08156	1.7
72.96079	1.0
73.02928	7.5
74.97612	1.2
79.93171	1.0
80.39551	0.9
81.03429	7.1
82.01440	1.9
83.04976	1.6
84.01566	1.2
84.08139	2.9
84.96033	3.8
85.02915	23.8
85.06554	1.4
87.04464	3.8
89.00771	1.2
91.02355	5.0
91.03978	1.5
96.01572	1.7
97.02316	1.5
97.02899	16.9
97.96803	2.6
98.03222	1.6
98.97592	100.0
98.98466	10.9
99.04453	3.4
99.97931	1.0
100.02489	2.9
100.97235	1.7
100.99150	7.1
101.00880	1.4
102.09178	1.2
102.96886	3.4
103.02348	2.4
104.01255	1.7
107.04935	2.7
109.02914	4.7
110.01284	2.6
110.03134	1.8
110.03928	1.1
110.97584	5.6
111.02914	1.2
112.99139	12.3
113.01747	1.2
115.00716	2.5
115.02372	2.2
116.03068	1.6
116.98635	29.2
117.02084	1.2
118.02850	1.7
119.00170	2.2
119.01857	5.6
119.03616	1.4
119.04949	1.0
120.97910	1.0
121.01628	1.6
121.03429	1.2
124.02828	1.1
124.95502	1.0
124.99141	2.5
125.03614	1.2
127.00697	2.6
127.03944	5.1
128.98627	6.8
129.02197	1.6
129.03944	1.0
131.00195	15.6
131.01779	1.4
131.08546	0.9
132.04396	1.3
133.01720	3.7
133.03384	2.7
134.99660	7.2
136.02815	1.2
139.03397	3.6
140.02266	2.5
140.98653	1.8
143.00171	9.2
144.98090	1.9
144.99831	1.3
145.01720	6.5
145.03337	1.9
145.04987	2.8
146.99632	6.6
147.03198	1.1
148.03888	20.2
149.01233	11.2
150.01735	1.4
151.02795	1.2
154.03864	10.5
155.00148	2.4
156.03589	1.0
157.04436	3.8
158.99608	4.5
159.54579	1.6
161.01233	9.5
161.02747	2.0
161.04628	4.0
161.05812	4.8
161.55585	1.1
163.02795	9.8
163.04414	20.5
163.94470	0.9
165.00639	1.5
167.02237	1.1
168.98236	1.2
169.04428	4.6
169.54585	3.2
170.04973	7.9
170.99748	1.4
171.04204	1.4
171.06160	1.2
172.99335	3.1
173.01288	2.0
173.04826	1.1
174.55229	1.5
175.02751	3.4
175.04398	2.3
176.03423	1.2
177.00786	2.2
177.04300	1.3
177.05998	1.1
178.04926	9.7
178.55104	4.9
179.02275	3.9
179.05728	2.9
181.03842	2.0
182.03358	1.6
182.99707	1.3
184.04904	1.9
187.02745	1.4
189.00755	1.8
189.05922	1.9
190.03090	1.1
191.00610	1.4
191.02226	6.2
191.05696	1.4
193.03853	2.4
193.05492	2.4
196.00974	7.8
198.04654	2.2
201.00719	2.4
204.02814	1.2
205.03775	2.5
207.01857	1.1
207.05231	2.6
209.01422	1.9
209.03342	22.8
211.05272	1.0
212.04373	2.7
214.01883	1.6
217.03784	1.1
219.01788	3.9
219.07071	1.3
221.03209	1.7
221.06850	1.2
223.04869	1.2
227.04333	6.2
228.03502	2.2
228.05531	1.8
233.03326	1.6
237.02809	2.7
239.04413	1.0
242.05318	2.2
251.04408	18.5
251.07841	10.8
251.09898	1.1
251.16026	1.1
269.05496	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	251.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.05498	0.3
56.96565	0.4
62.69674	0.3
65.03919	0.4
65.56264	0.2
67.01831	0.4
67.05514	0.5
68.90876	0.2
68.99782	0.7
69.07040	0.4
69.86657	0.9
79.05467	0.3
81.07056	0.5
83.01343	0.4
89.03900	0.4
91.05483	1.3
93.06978	0.3
95.01323	0.2
95.08585	0.2
97.06516	0.2
98.98471	23.0
99.51183	0.2
103.05470	0.5
105.03365	0.6
105.07044	0.2
107.08591	0.4
109.06501	0.2
109.10130	0.2
115.05450	3.1
116.99487	0.4
118.99679	0.2
121.10172	0.2
123.11764	0.3
125.06010	0.3
127.05380	0.3
128.06207	1.8
129.03380	0.3
129.07021	4.5
131.04916	0.7
139.01640	0.2
139.05379	0.3
141.06995	13.3
145.06464	0.7
145.20784	0.2
151.05455	0.5
152.06221	24.5
153.07007	2.4
154.07782	0.4
155.04922	2.4
155.06082	0.6
155.08575	0.9
165.07007	20.6
166.07793	8.0
167.08571	20.9
168.08939	0.2
169.06496	3.9
174.99249	0.8
176.06219	7.1
177.07007	9.4
178.07755	3.1
179.06113	0.5
179.08548	0.8
180.05800	0.2
181.06499	1.6
183.08052	0.5
193.12173	0.3
194.07269	1.9
195.06248	0.5
195.08069	11.8
197.05986	23.6
198.06325	0.3
205.06401	2.7
206.07257	0.3
208.05243	1.3
208.26169	0.2
209.05923	0.2
213.43777	0.2
221.06010	0.2
222.06738	0.3
223.07545	20.4
224.07767	0.3
233.05945	0.3
233.15344	0.3
234.06947	0.3
248.08005	0.3
251.07045	100.0
252.07271	1.5
267.91217	0.2
269.08139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
62.96491	0.2
65.03925	0.2
67.01861	0.3
67.05503	0.7
68.99802	0.6
69.03431	0.5
69.07072	0.5
71.04997	0.3
77.01586	0.3
79.05486	0.6
81.07056	0.9
83.01341	0.6
91.05495	1.2
93.07055	0.6
95.04958	0.4
95.08620	0.8
96.25800	0.3
98.21503	0.8
98.98473	25.1
103.05475	0.5
105.03394	0.7
105.07037	1.0
107.08574	0.6
109.06525	0.5
109.10155	0.6
115.05458	2.0
116.99488	0.4
117.07052	0.3
117.99947	0.2
119.08549	0.3
121.06487	0.4
121.10158	0.6
127.05503	0.3
128.06223	1.9
129.03377	0.3
129.07010	3.8
131.04953	0.6
131.08546	0.6
133.10068	0.4
135.07994	0.5
137.11359	0.2
141.06992	12.6
145.06511	0.6
145.10085	0.6
147.11720	0.6
151.05428	0.6
152.06213	23.1
153.07019	2.0
155.04919	2.2
155.06041	0.5
155.08572	0.7
165.07008	18.6
166.07790	6.6
167.08572	20.6
167.29030	0.3
168.05739	0.2
168.08835	0.3
169.06512	3.7
174.99213	1.0
175.11180	0.6
176.04991	0.2
176.06212	6.4
177.07005	7.9
178.07776	2.8
179.06093	0.6
179.08459	0.6
181.06522	1.5
183.08064	0.3
187.14731	0.3
193.06456	0.3
193.12207	0.3
194.07277	1.9
195.04422	0.3
195.08067	11.5
197.05980	21.1
197.13301	0.3
198.06325	0.3
205.06363	2.4
205.15884	0.5
206.07196	0.3
208.05159	0.7
222.06807	0.3
223.07544	19.2
224.07774	0.5
233.15352	1.1
234.06747	0.4
251.07045	100.0
251.16512	1.2
252.07376	1.8
269.08127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.3
55.31012	0.2
56.96553	0.7
58.54309	0.2
65.03937	0.2
67.01855	0.4
67.05491	0.4
68.99779	0.5
69.03441	0.2
69.07056	0.5
69.12872	0.2
69.34485	1.0
69.34904	0.8
81.07056	0.7
90.23355	0.2
91.05486	0.9
93.07017	0.4
95.04961	0.4
95.08608	0.5
98.20750	0.4
98.98473	11.5
103.05482	0.4
105.03410	0.5
105.07021	0.6
107.04971	0.3
107.08571	0.7
109.06506	0.5
109.10172	0.2
115.05450	2.4
117.06958	0.3
119.08568	0.5
121.06516	0.3
121.10151	0.3
123.08102	0.3
123.11660	0.2
128.06230	1.7
129.07013	3.6
131.04916	0.9
131.08543	0.5
133.10133	0.3
141.06998	11.6
145.06462	0.4
147.11653	0.3
151.05441	0.9
152.06221	23.6
153.07031	1.5
154.07787	0.3
155.04903	1.7
155.06078	0.7
155.08530	0.9
155.52739	0.2
165.07010	18.4
166.06374	0.3
166.07805	7.0
167.08572	20.5
169.06506	3.2
176.06227	5.9
177.07005	7.9
178.07779	2.5
179.06038	0.7
179.08488	0.5
181.06511	1.3
183.04521	0.2
183.08122	0.5
191.14311	0.5
193.12234	0.5
194.07245	2.3
195.08075	10.6
197.05991	22.6
205.06415	2.5
206.07216	0.5
208.05217	0.9
219.05017	0.3
222.06807	0.4
223.07545	18.7
224.07822	0.3
228.05424	0.9
233.15225	0.5
234.06752	0.5
237.06046	2.0
248.56804	0.3
251.07047	100.0
252.07460	1.4
269.08041	0.5
269.10620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
55.05503	0.4
56.96563	0.8
59.04987	0.2
67.05502	0.5
68.99780	0.7
69.07077	0.4
69.34999	1.9
76.75562	0.2
79.05511	0.2
81.07051	0.8
83.01315	0.2
91.05487	1.0
93.07044	0.5
93.89194	0.2
95.04980	0.4
95.08614	0.5
98.98470	11.9
102.02555	0.2
103.05458	0.3
105.03372	0.7
105.07028	0.6
107.08618	0.3
109.06516	0.8
109.10154	0.3
115.05459	2.7
116.19484	0.2
116.99490	0.2
119.08553	0.4
119.90337	0.2
121.10197	0.2
123.08050	0.3
123.11713	0.3
127.05430	0.6
128.06230	1.6
129.03326	0.3
129.06998	3.6
131.04936	0.8
131.08603	0.3
141.06998	12.1
142.07391	0.2
145.06505	0.5
145.10106	0.3
147.11688	0.3
151.05453	0.8
152.06219	24.3
153.06998	2.1
155.04915	2.0
155.06075	0.7
155.08534	0.8
165.07010	17.8
166.07808	6.8
167.08574	20.5
168.05711	0.4
168.08997	0.2
169.06506	3.5
174.99269	0.5
176.06224	6.1
177.06999	8.8
178.07809	3.0
179.06123	0.4
179.08498	0.5
181.06451	1.3
183.08063	0.6
191.14293	0.4
194.07271	2.0
195.08070	10.7
197.05991	23.1
205.06406	2.8
206.07317	0.3
208.05309	1.0
221.06050	0.3
222.06796	0.6
223.07555	20.2
224.07996	0.4
228.05472	1.0
233.15381	0.4
234.06844	0.5
237.05998	1.8
248.56825	0.4
251.07045	100.0
251.16156	1.3
252.07341	1.7
269.08023	0.6
269.10562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07303	0.2
52.20806	0.2
53.03935	0.2
55.01883	1.3
67.01865	0.3
67.05493	0.4
68.99785	0.8
71.07051	0.4
73.95118	0.2
79.05466	0.3
81.07040	0.4
83.01327	0.3
91.05470	0.9
93.07035	0.2
93.39986	0.2
95.04935	0.4
95.08642	0.2
98.04006	0.2
98.98470	18.5
103.05484	0.6
105.03382	0.8
107.04908	0.2
107.08586	0.3
115.05453	2.7
123.11713	0.3
127.05473	0.4
128.06230	2.0
129.03296	0.3
129.07007	4.3
131.04942	0.8
134.75107	0.2
140.01102	0.3
141.06995	13.8
145.06462	0.6
151.05492	0.5
152.06218	24.9
153.07019	2.3
155.04907	1.9
155.06067	0.9
155.08546	0.7
165.07008	19.6
166.07791	7.6
167.08571	20.7
169.06502	3.7
174.99142	0.4
176.04648	0.3
176.06215	6.7
177.07008	9.5
178.07787	3.3
179.06068	0.6
179.08492	0.5
181.06488	1.8
183.04497	0.3
183.08099	0.7
194.07259	2.0
195.08063	11.7
196.08360	0.3
197.05983	23.9
198.06303	0.4
205.06432	2.4
206.07191	0.4
208.05185	0.7
221.05972	0.4
222.06767	0.7
223.07549	20.5
233.05896	0.5
234.06783	0.3
251.07042	100.0
252.07378	1.6
269.08127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
55.05511	1.0
56.05063	0.5
56.96566	2.5
57.03439	1.5
57.44986	0.4
61.02917	0.9
69.03432	4.4
69.07080	0.9
70.06592	2.6
71.04996	0.7
71.24756	1.0
72.08167	1.8
73.02925	0.9
79.05479	0.6
81.03442	1.8
81.07063	0.6
84.04520	0.5
84.08153	10.1
85.02917	13.2
86.09722	1.1
87.04487	0.6
88.07641	68.6
91.05499	0.9
95.04983	0.6
97.02885	4.6
98.97601	3.5
98.98473	10.6
99.04459	0.5
102.09239	0.5
103.05499	0.7
105.07051	0.8
109.02911	1.5
112.50166	0.5
112.99147	0.5
116.98637	1.0
119.70742	0.5
121.06519	1.3
123.04456	1.3
124.07658	0.7
127.03959	2.9
128.06250	0.6
128.07135	0.5
130.86792	0.5
131.08588	1.0
136.06192	4.5
137.05974	0.9
138.05519	0.7
142.65341	0.5
143.08582	2.2
145.04997	1.0
148.05182	0.7
148.06223	4.6
149.05908	0.6
158.99673	1.0
159.08125	1.2
160.05244	1.2
160.11221	1.6
161.06012	3.2
162.05525	1.9
164.07059	4.2
171.08116	2.2
174.06662	0.6
175.04417	0.9
176.06987	0.6
176.09334	0.8
177.00847	0.7
177.07863	27.3
177.09032	1.7
178.08450	0.9
182.99738	0.7
184.05003	1.6
186.07767	1.6
188.10759	1.6
189.09183	2.1
201.00798	1.1
204.08875	1.7
204.10503	0.7
206.11784	100.0
207.12115	1.4
214.07335	0.6
219.01944	0.6
232.08275	11.1
248.11969	0.5
250.08934	4.9
250.14496	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	251.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15731	0.1
53.00311	0.2
55.01878	1.3
58.59991	0.1
63.02389	0.1
65.03926	0.3
67.01865	0.5
68.99790	0.4
69.69498	0.6
83.01361	0.2
86.13827	0.1
89.03947	0.2
91.05488	0.8
95.01343	0.1
98.21458	0.2
98.98465	2.3
99.66573	0.1
100.60434	0.1
103.05463	0.4
105.03404	0.5
115.05447	2.7
117.03392	0.2
118.50304	0.1
121.02870	0.2
127.05466	0.4
128.05341	0.2
128.06229	1.8
129.03391	0.2
129.07011	4.0
131.04942	0.7
139.05399	0.2
141.06995	13.8
142.07321	0.2
143.04913	0.1
145.06485	0.5
151.05431	0.7
152.06216	25.7
153.07004	2.1
154.07689	0.3
155.04916	2.4
155.06070	0.6
155.08557	0.9
165.07008	19.3
166.06342	0.2
166.07796	6.7
167.08569	21.9
168.05713	0.2
168.08902	0.2
169.06509	3.2
176.04655	0.2
176.06221	6.8
177.07001	9.0
178.07785	3.3
179.06119	0.5
179.08543	0.4
180.05695	0.1
181.06477	1.8
183.04427	0.2
183.08064	0.5
193.06429	0.2
194.07256	2.2
195.08064	11.7
196.08401	0.1
197.05989	24.1
198.06320	0.3
205.06384	2.6
206.07248	0.4
208.05252	1.0
209.06006	0.2
220.23479	0.1
221.05904	0.2
222.06728	0.4
223.07545	21.2
224.07913	0.3
233.05978	0.4
234.06801	0.3
249.05457	0.1
251.07040	100.0
252.07361	1.8
269.08209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0938
Annotation	8,5'-Cda
Peak:m/z	Relative Intensity
55.01875	0.5
55.05520	0.5
56.96591	1.5
57.22139	0.4
61.02945	0.4
69.03459	1.1
69.07101	0.8
70.06614	0.5
71.39452	0.8
72.08169	0.4
84.08190	0.4
85.02934	1.0
85.06567	1.9
97.02890	3.2
98.96980	0.6
98.97572	2.6
98.98476	1.3
101.31521	0.4
110.97591	0.4
111.08098	0.6
121.05130	4.4
122.02702	0.8
136.06209	1.5
144.05644	0.6
148.06183	42.6
149.06996	5.4
150.07768	0.5
153.04922	0.5
157.09705	0.4
158.99808	0.4
159.06668	3.0
162.05479	0.5
162.07755	1.0
169.05112	3.0
174.07762	1.8
175.08557	5.7
176.09309	8.8
177.07590	0.5
186.07767	13.1
187.06163	0.9
197.04515	0.4
202.07196	1.3
203.07889	0.5
204.08809	11.4
206.11832	1.0
214.07228	3.8
220.52881	0.4
222.67805	0.4
232.08302	100.0
233.08572	1.2
244.99564	0.4
250.09355	45.6
263.43649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01875	5.4
55.05514	6.8
56.05016	2.0
56.96567	83.6
57.03438	24.5
58.03765	0.8
58.06599	1.8
58.68373	0.8
59.04992	3.9
60.08157	0.8
60.95850	2.2
61.02927	41.5
61.48234	0.8
67.05494	2.7
69.03431	32.7
69.03805	1.8
69.07047	2.6
70.06586	2.6
70.98123	10.4
71.01353	2.0
71.04994	12.8
71.57167	1.0
71.95251	2.9
72.04504	1.3
72.08141	5.0
72.96038	1.7
73.02919	19.7
73.06544	1.3
74.06081	1.6
74.17731	0.8
74.97605	2.3
75.04467	1.7
75.79676	0.8
76.55450	0.7
77.00834	0.8
77.37338	0.8
77.75283	0.8
79.05451	1.1
81.01029	1.6
81.02970	1.4
81.03416	20.4
81.07043	2.7
82.01824	2.4
82.06572	2.1
83.00803	2.1
83.01318	1.6
83.04977	8.9
83.08605	1.4
84.01566	1.0
84.04478	1.8
84.08159	5.2
84.96033	10.2
85.02906	58.9
85.06547	2.5
86.03220	1.7
86.03681	3.7
86.06055	1.1
86.09685	2.2
86.97598	1.2
87.01017	1.1
87.04466	10.2
88.07627	1.5
88.99155	2.4
89.00764	3.4
89.06035	1.4
90.01542	2.1
91.00529	1.2
91.02345	4.6
91.03952	2.9
93.07056	0.9
94.01790	1.6
95.00776	2.1
95.04965	1.8
96.01543	3.6
97.00510	1.3
97.02325	5.2
97.02888	43.8
97.06516	1.0
97.96816	4.7
98.01299	1.2
98.03168	2.0
98.06022	0.8
98.09683	1.7
98.97586	100.0
98.98444	7.8
99.04447	10.4
99.97926	9.6
100.05240	1.0
100.99147	11.2
101.00787	4.2
101.02417	2.0
101.06036	2.3
101.99565	1.3
102.01550	1.4
102.05553	1.8
102.08630	1.1
102.09194	10.9
102.96957	1.8
103.00543	1.4
103.02328	4.6
103.03909	2.1
104.01281	2.7
104.10741	9.7
105.02051	2.4
106.01025	1.1
106.02844	4.1
107.02540	1.1
107.04951	1.8
108.01524	2.1
109.00522	1.3
109.02268	2.7
109.02898	14.5
109.06516	2.7
110.01296	8.0
110.03141	1.5
110.05991	0.9
110.97574	12.6
111.02047	1.9
111.04426	1.2
112.01016	1.2
112.02833	1.7
112.07596	1.6
112.99137	24.0
113.02370	3.8
113.06010	2.2
113.99492	0.9
115.00647	3.0
115.02372	1.7
115.03976	1.5
115.96243	0.9
115.97833	2.8
116.01270	1.7
116.03076	2.9
116.07098	1.0
116.98622	37.0
117.02061	7.5
117.98959	4.1
118.01013	3.2
118.02827	3.7
119.00180	5.0
119.01817	17.1
119.03548	1.1
120.01987	1.8
121.05074	1.0
122.01286	1.5
123.00228	1.7
123.02012	1.2
124.02820	4.4
124.95512	1.4
124.99117	5.0
125.01766	3.1
125.03567	1.8
126.02576	10.7
126.52808	1.3
127.00713	5.9
127.03954	17.3
127.07555	1.8
128.02339	8.6
128.07108	1.0
128.10713	1.7
128.98613	16.0
129.02184	1.5
129.03992	1.2
130.01923	1.2
130.02774	1.7
130.08676	1.6
131.00182	29.1
131.01810	3.1
131.03539	2.2
131.05617	1.1
132.00702	3.5
132.02579	1.4
133.01738	4.1
133.03381	5.6
133.05000	1.3
134.99666	11.5
135.03104	11.4
136.00053	1.5
136.06180	2.6
136.99033	1.2
137.01793	1.2
138.02521	2.3
139.01550	1.7
139.03311	6.1
140.00220	1.7
140.02303	7.7
140.04094	2.3
140.05045	1.4
140.98610	4.8
141.01270	3.8
141.03069	3.0
141.05476	2.4
142.01782	1.6
142.03893	1.1
142.12236	1.4
142.96544	1.8
143.00162	12.8
143.01854	2.8
144.00491	2.6
144.02583	1.1
144.03629	4.0
144.98080	3.7
145.01694	11.1
145.03429	2.5
145.04955	6.2
146.02304	2.4
146.99661	10.8
147.03082	9.3
147.04926	1.8
147.53178	0.9
148.00064	1.1
148.02037	2.8
148.03864	24.4
148.05022	1.2
148.06195	12.3
149.01216	18.1
149.02853	2.1
149.04781	1.9
149.06998	1.7
150.01727	4.7
150.97050	1.1
151.02740	1.1
151.03920	1.2
152.02255	1.0
152.53867	1.5
152.98491	1.3
153.03056	2.4
153.04160	1.3
153.05775	3.4
154.01985	1.7
154.03851	13.9
155.00124	2.0
155.02811	3.3
155.04649	1.4
156.03600	6.3
156.98097	1.9
157.01706	2.8
157.02625	2.8
157.04428	2.9
158.01263	1.4
158.99672	17.3
159.03214	2.5
159.54611	1.7
160.00084	1.2
160.03873	5.9
160.05035	1.3
161.01219	13.0
161.02840	3.2
161.04425	4.1
161.05746	1.8
161.54430	6.2
162.01654	3.5
162.03581	3.3
162.05420	3.5
162.53842	1.1
162.99173	1.6
163.02792	16.5
163.04398	33.8
165.00710	4.6
166.01091	1.4
166.98550	1.0
167.02261	2.6
167.05621	1.0
169.02655	3.7
169.04388	40.4
169.52766	1.3
169.54567	2.9
169.56213	1.0
170.03404	1.6
170.05142	2.6
170.95952	1.2
170.99643	4.3
171.04132	1.8
172.05067	1.4
172.09703	1.1
172.13379	2.2
172.97678	1.9
173.01215	6.4
173.02705	1.4
174.01727	2.2
174.11249	2.9
174.55219	3.0
174.99173	3.6
175.02739	12.3
175.04404	3.7
176.01817	1.6
176.03337	7.5
176.09268	2.5
177.00761	11.5
177.04263	4.8
177.07845	2.9
178.03206	4.0
178.04929	71.0
178.55106	4.5
179.02295	1.8
179.05798	1.1
180.53456	1.2
181.02431	1.8
181.03850	3.0
182.01933	0.9
182.03349	5.3
182.04953	1.0
182.55055	1.0
182.99765	1.8
183.02242	2.1
184.03128	1.2
184.04872	7.2
184.55157	1.9
185.01292	1.5
185.03954	6.5
185.54053	1.4
186.04587	2.4
186.07799	4.1
186.99178	3.4
187.02621	1.1
188.97079	1.8
189.00716	7.0
189.04120	1.4
189.55692	7.0
190.01111	7.0
190.03082	4.1
190.98611	2.5
191.02452	6.0
191.03886	4.3
191.05734	5.7
191.55835	1.6
193.00182	3.4
193.03853	10.4
193.05408	1.7
194.04311	4.1
195.02132	1.3
196.00996	2.8
197.03885	1.6
198.04695	3.8
199.03694	7.2
200.04477	1.2
200.12813	1.0
201.00641	6.4
201.04208	1.0
203.02278	2.4
204.02872	3.6
204.08679	4.4
205.00223	3.7
205.03751	3.4
205.05423	1.4
206.04306	2.0
206.11769	13.5
207.01784	5.8
207.05234	3.5
208.02086	10.1
208.04173	6.8
209.03362	4.2
211.03302	1.7
211.04910	3.4
212.04434	3.6
214.02136	1.3
214.07243	1.3
215.02338	1.1
217.00168	3.1
217.03758	5.4
217.05638	1.2
218.13925	5.6
219.01752	11.5
219.07220	1.6
220.02237	1.5
220.04106	6.5
220.54283	1.1
223.01257	2.1
223.04846	1.4
226.02588	1.4
227.02301	1.4
227.04352	1.8
229.04691	14.0
229.54904	2.6
232.08292	29.2
232.11769	1.9
233.03357	4.6
233.12161	1.0
235.01099	1.6
235.04852	4.0
237.02808	8.9
241.04538	1.3
242.05466	2.8
244.99678	4.0
247.04846	1.5
249.57922	1.7
250.03052	1.7
250.07047	9.5
250.09244	13.5
250.14511	2.0
250.16531	16.5
250.57152	1.8
251.04401	12.6
251.07819	5.8
261.02567	1.3
263.00623	1.8
269.02725	1.7
269.05441	26.3
269.08307	1.3
270.64478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01875	5.4
55.05514	6.8
56.05016	2.0
56.96567	83.6
57.03438	24.5
58.03765	0.8
58.06599	1.8
58.68373	0.8
59.04992	3.9
60.08157	0.8
60.95850	2.2
61.02927	41.5
61.48234	0.8
67.05494	2.7
69.03431	32.7
69.03805	1.8
69.07047	2.6
70.06586	2.6
70.98123	10.4
71.01353	2.0
71.04994	12.8
71.57167	1.0
71.95251	2.9
72.04504	1.3
72.08141	5.0
72.96038	1.7
73.02919	19.7
73.06544	1.3
74.06081	1.6
74.17731	0.8
74.97605	2.3
75.04467	1.7
75.79676	0.8
76.55450	0.7
77.00834	0.8
77.37338	0.8
77.75283	0.8
79.05451	1.1
81.01029	1.6
81.02970	1.4
81.03416	20.4
81.07043	2.7
82.01824	2.4
82.06572	2.1
83.00803	2.1
83.01318	1.6
83.04977	8.9
83.08605	1.4
84.01566	1.0
84.04478	1.8
84.08159	5.2
84.96033	10.2
85.02906	58.9
85.06547	2.5
86.03220	1.7
86.03681	3.7
86.06055	1.1
86.09685	2.2
86.97598	1.2
87.01017	1.1
87.04466	10.2
88.07627	1.5
88.99155	2.4
89.00764	3.4
89.06035	1.4
90.01542	2.1
91.00529	1.2
91.02345	4.6
91.03952	2.9
93.07056	0.9
94.01790	1.6
95.00776	2.1
95.04965	1.8
96.01543	3.6
97.00510	1.3
97.02325	5.2
97.02888	43.8
97.06516	1.0
97.96816	4.7
98.01299	1.2
98.03168	2.0
98.06022	0.8
98.09683	1.7
98.97586	100.0
98.98444	7.8
99.04447	10.4
99.97926	9.6
100.05240	1.0
100.99147	11.2
101.00787	4.2
101.02417	2.0
101.06036	2.3
101.99565	1.3
102.01550	1.4
102.05553	1.8
102.08630	1.1
102.09194	10.9
102.96957	1.8
103.00543	1.4
103.02328	4.6
103.03909	2.1
104.01281	2.7
104.10741	9.7
105.02051	2.4
106.01025	1.1
106.02844	4.1
107.02540	1.1
107.04951	1.8
108.01524	2.1
109.00522	1.3
109.02268	2.7
109.02898	14.5
109.06516	2.7
110.01296	8.0
110.03141	1.5
110.05991	0.9
110.97574	12.6
111.02047	1.9
111.04426	1.2
112.01016	1.2
112.02833	1.7
112.07596	1.6
112.99137	24.0
113.02370	3.8
113.06010	2.2
113.99492	0.9
115.00647	3.0
115.02372	1.7
115.03976	1.5
115.96243	0.9
115.97833	2.8
116.01270	1.7
116.03076	2.9
116.07098	1.0
116.98622	37.0
117.02061	7.5
117.98959	4.1
118.01013	3.2
118.02827	3.7
119.00180	5.0
119.01817	17.1
119.03548	1.1
120.01987	1.8
121.05074	1.0
122.01286	1.5
123.00228	1.7
123.02012	1.2
124.02820	4.4
124.95512	1.4
124.99117	5.0
125.01766	3.1
125.03567	1.8
126.02576	10.7
126.52808	1.3
127.00713	5.9
127.03954	17.3
127.07555	1.8
128.02339	8.6
128.07108	1.0
128.10713	1.7
128.98613	16.0
129.02184	1.5
129.03992	1.2
130.01923	1.2
130.02774	1.7
130.08676	1.6
131.00182	29.1
131.01810	3.1
131.03539	2.2
131.05617	1.1
132.00702	3.5
132.02579	1.4
133.01738	4.1
133.03381	5.6
133.05000	1.3
134.99666	11.5
135.03104	11.4
136.00053	1.5
136.06180	2.6
136.99033	1.2
137.01793	1.2
138.02521	2.3
139.01550	1.7
139.03311	6.1
140.00220	1.7
140.02303	7.7
140.04094	2.3
140.05045	1.4
140.98610	4.8
141.01270	3.8
141.03069	3.0
141.05476	2.4
142.01782	1.6
142.03893	1.1
142.12236	1.4
142.96544	1.8
143.00162	12.8
143.01854	2.8
144.00491	2.6
144.02583	1.1
144.03629	4.0
144.98080	3.7
145.01694	11.1
145.03429	2.5
145.04955	6.2
146.02304	2.4
146.99661	10.8
147.03082	9.3
147.04926	1.8
147.53178	0.9
148.00064	1.1
148.02037	2.8
148.03864	24.4
148.05022	1.2
148.06195	12.3
149.01216	18.1
149.02853	2.1
149.04781	1.9
149.06998	1.7
150.01727	4.7
150.97050	1.1
151.02740	1.1
151.03920	1.2
152.02255	1.0
152.53867	1.5
152.98491	1.3
153.03056	2.4
153.04160	1.3
153.05775	3.4
154.01985	1.7
154.03851	13.9
155.00124	2.0
155.02811	3.3
155.04649	1.4
156.03600	6.3
156.98097	1.9
157.01706	2.8
157.02625	2.8
157.04428	2.9
158.01263	1.4
158.99672	17.3
159.03214	2.5
159.54611	1.7
160.00084	1.2
160.03873	5.9
160.05035	1.3
161.01219	13.0
161.02840	3.2
161.04425	4.1
161.05746	1.8
161.54430	6.2
162.01654	3.5
162.03581	3.3
162.05420	3.5
162.53842	1.1
162.99173	1.6
163.02792	16.5
163.04398	33.8
165.00710	4.6
166.01091	1.4
166.98550	1.0
167.02261	2.6
167.05621	1.0
169.02655	3.7
169.04388	40.4
169.52766	1.3
169.54567	2.9
169.56213	1.0
170.03404	1.6
170.05142	2.6
170.95952	1.2
170.99643	4.3
171.04132	1.8
172.05067	1.4
172.09703	1.1
172.13379	2.2
172.97678	1.9
173.01215	6.4
173.02705	1.4
174.01727	2.2
174.11249	2.9
174.55219	3.0
174.99173	3.6
175.02739	12.3
175.04404	3.7
176.01817	1.6
176.03337	7.5
176.09268	2.5
177.00761	11.5
177.04263	4.8
177.07845	2.9
178.03206	4.0
178.04929	71.0
178.55106	4.5
179.02295	1.8
179.05798	1.1
180.53456	1.2
181.02431	1.8
181.03850	3.0
182.01933	0.9
182.03349	5.3
182.04953	1.0
182.55055	1.0
182.99765	1.8
183.02242	2.1
184.03128	1.2
184.04872	7.2
184.55157	1.9
185.01292	1.5
185.03954	6.5
185.54053	1.4
186.04587	2.4
186.07799	4.1
186.99178	3.4
187.02621	1.1
188.97079	1.8
189.00716	7.0
189.04120	1.4
189.55692	7.0
190.01111	7.0
190.03082	4.1
190.98611	2.5
191.02452	6.0
191.03886	4.3
191.05734	5.7
191.55835	1.6
193.00182	3.4
193.03853	10.4
193.05408	1.7
194.04311	4.1
195.02132	1.3
196.00996	2.8
197.03885	1.6
198.04695	3.8
199.03694	7.2
200.04477	1.2
200.12813	1.0
201.00641	6.4
201.04208	1.0
203.02278	2.4
204.02872	3.6
204.08679	4.4
205.00223	3.7
205.03751	3.4
205.05423	1.4
206.04306	2.0
206.11769	13.5
207.01784	5.8
207.05234	3.5
208.02086	10.1
208.04173	6.8
209.03362	4.2
211.03302	1.7
211.04910	3.4
212.04434	3.6
214.02136	1.3
214.07243	1.3
215.02338	1.1
217.00168	3.1
217.03758	5.4
217.05638	1.2
218.13925	5.6
219.01752	11.5
219.07220	1.6
220.02237	1.5
220.04106	6.5
220.54283	1.1
223.01257	2.1
223.04846	1.4
226.02588	1.4
227.02301	1.4
227.04352	1.8
229.04691	14.0
229.54904	2.6
232.08292	29.2
232.11769	1.9
233.03357	4.6
233.12161	1.0
235.01099	1.6
235.04852	4.0
237.02808	8.9
241.04538	1.3
242.05466	2.8
244.99678	4.0
247.04846	1.5
249.57922	1.7
250.03052	1.7
250.07047	9.5
250.09244	13.5
250.14511	2.0
250.16531	16.5
250.57152	1.8
251.04401	12.6
251.07819	5.8
261.02567	1.3
263.00623	1.8
269.02725	1.7
269.05441	26.3
269.08307	1.3
270.64478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.47832	0.8
53.03925	0.7
55.01865	1.5
55.05502	1.1
55.38088	0.6
57.03432	1.4
57.04965	0.6
63.82030	0.6
64.11213	0.7
67.05498	1.9
69.03434	4.0
69.07063	0.9
69.25206	2.9
69.25639	3.2
71.05000	1.0
79.05489	2.3
81.03436	1.5
81.07053	1.9
85.02883	3.1
85.06563	0.7
87.00821	1.0
91.05488	8.5
93.07034	2.3
95.04946	1.7
95.08613	2.0
97.02886	2.1
97.06516	1.2
98.97579	1.9
99.04445	1.1
103.05455	1.8
105.01859	1.0
105.07041	4.6
107.04949	3.0
107.08595	1.9
109.02850	1.1
109.06533	0.9
115.05444	5.9
116.06268	3.3
116.98651	0.7
117.07023	3.0
119.04929	0.8
119.08603	2.1
121.06472	0.7
121.10117	1.5
127.03918	1.9
128.06224	11.3
129.07008	23.5
130.07794	1.3
131.04898	2.2
131.08568	19.1
132.05724	1.3
133.06543	3.4
133.10130	1.9
133.92010	0.8
135.04387	1.8
135.08058	0.9
137.05954	0.9
141.06995	10.1
142.07785	4.9
143.04912	1.5
143.08551	4.9
144.05710	10.3
145.06487	7.5
145.10120	1.4
146.03622	0.8
146.07283	4.3
147.04376	1.5
147.08052	1.3
147.11705	1.5
152.06207	1.5
153.07004	2.6
155.06017	1.9
155.08592	0.8
156.05704	2.7
157.06493	9.4
158.07260	2.4
159.08057	31.8
160.05243	0.9
161.05966	3.9
161.09625	8.8
167.07040	1.4
169.06392	1.4
169.07628	3.2
170.07274	8.3
171.04381	1.3
171.08038	6.3
171.11560	0.8
172.05167	3.7
173.06000	5.4
174.06790	2.8
175.07619	3.2
185.06017	0.7
185.09587	0.8
186.06598	1.2
187.07562	17.7
188.08313	1.6
189.05504	3.8
189.09094	11.1
190.06274	1.5
191.06989	1.5
192.07645	0.8
193.08575	1.2
198.06781	2.0
199.07544	2.7
201.05487	1.0
203.07072	5.2
204.07823	13.9
205.08635	1.2
213.09201	1.0
216.07834	4.3
217.08574	1.1
218.09390	1.3
219.10205	2.0
221.08195	1.2
221.11716	2.8
231.10188	7.4
231.13809	0.8
231.17551	0.9
244.30580	0.6
249.11229	100.0
249.14656	6.3
250.11447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91959	0.7
53.03942	1.1
55.01871	1.9
55.05510	1.6
56.96571	7.2
57.03427	3.6
57.07068	1.0
57.89515	0.9
67.05516	1.5
69.03435	10.7
69.07071	2.2
69.90592	2.8
70.06576	1.5
71.04977	1.4
72.04155	1.0
72.04526	19.3
72.08130	1.2
73.02905	2.5
74.06084	1.3
79.05506	1.1
81.03424	4.9
81.07066	1.7
84.08133	1.9
85.02918	11.8
86.03253	1.0
86.09701	2.7
87.00807	4.3
87.04459	1.1
91.05469	5.3
93.07037	2.2
95.04961	1.4
97.02893	7.6
97.06531	1.4
98.97584	11.2
99.04469	3.2
100.03967	1.3
101.26193	0.9
103.05445	2.8
105.01856	1.2
105.07040	4.3
107.04950	1.5
109.02882	4.6
109.06563	1.0
110.07171	2.1
110.45238	0.9
110.97587	3.0
111.04436	2.2
112.99152	0.9
115.03991	1.0
115.05476	8.7
116.98621	4.3
117.05759	3.0
117.07013	3.5
118.04229	1.9
118.05048	21.4
118.06544	40.1
119.04942	2.8
119.08578	1.6
119.20101	0.8
120.08103	1.9
121.06498	1.9
121.10136	1.6
123.04404	1.6
127.03905	6.2
128.98611	3.2
130.06543	2.5
131.04944	1.5
131.08577	1.2
132.08099	89.0
133.06509	2.9
133.08414	1.6
134.99677	1.2
135.04434	2.2
136.06180	8.7
137.05989	1.9
139.03810	1.4
142.06528	3.1
143.04932	8.9
143.07306	5.2
143.08359	1.0
144.08099	17.5
145.06471	1.3
146.06017	84.0
146.99660	1.8
147.04419	6.8
147.06325	1.3
147.08026	1.3
151.03899	2.0
158.99672	2.4
159.04448	1.0
160.05228	2.8
160.07460	1.5
161.01234	1.7
161.06000	8.6
161.09593	2.2
162.05484	1.1
163.07489	1.1
164.09448	1.1
170.06027	6.8
171.04428	4.9
172.07452	1.1
175.07552	6.8
175.11136	1.2
177.00835	2.0
177.05536	1.2
177.07867	1.9
185.07211	1.7
188.07079	100.0
189.05441	2.4
189.07346	1.4
189.09045	1.3
191.07155	2.3
203.07030	15.0
203.12044	4.2
204.10233	1.5
205.10547	1.0
206.11746	6.0
207.01689	1.4
217.05009	2.3
219.01831	2.0
221.13264	1.0
231.06642	1.7
231.11646	1.2
231.13728	1.3
232.09708	1.2
237.02852	1.7
249.04224	1.4
249.04674	1.6
249.07507	14.5
249.12445	21.8
249.14882	1.7
249.16316	1.0
249.19514	3.4
250.12631	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	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	22.0
58.87172	1.7
59.73482	1.8
63.34013	1.6
71.56892	2.8
74.86295	1.8
75.04028	1.8
98.97591	100.0
100.99150	12.7
101.00948	2.1
110.97588	2.3
115.72886	2.1
116.98625	24.1
128.98639	3.3
134.99684	3.9
143.00175	14.3
146.08192	2.6
146.99710	3.8
161.01271	9.5
165.00737	6.4
177.00838	2.5
183.01854	2.4
189.00729	18.6
207.01785	33.5
208.39592	1.8
225.02870	3.5
249.03716	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	249.046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04215	0.4
56.96567	23.8
68.98257	0.4
69.03440	0.6
70.74770	0.8
70.75104	0.9
70.99861	1.1
71.95246	1.2
73.02917	0.5
82.99837	4.8
84.96030	2.6
85.01399	0.8
85.02914	0.5
86.99373	0.4
91.48081	0.4
93.89201	0.4
97.01421	0.5
97.02908	0.9
98.21427	0.4
98.97590	100.0
100.99149	11.6
101.00886	42.7
103.02434	1.0
103.86866	0.4
110.97581	1.5
112.99152	1.8
113.00864	4.2
115.02512	0.9
116.98631	30.2
119.00165	1.7
119.01926	60.2
120.01998	0.8
124.02512	0.6
124.99144	1.5
127.02448	2.2
128.98605	2.4
131.00185	1.2
131.01921	8.0
134.99664	5.5
137.02965	6.3
137.38818	0.4
140.00272	0.6
141.00327	0.8
142.03540	0.5
142.99193	0.3
143.00169	16.7
143.01910	17.7
144.98108	0.6
145.03459	8.9
146.99660	3.7
147.01410	0.6
149.02977	1.3
157.03467	2.5
158.99686	5.8
159.01411	8.7
161.01250	10.3
161.02968	32.9
162.03183	0.6
162.99155	0.5
163.04570	1.0
165.00734	7.2
170.99759	0.7
171.01367	5.4
173.01247	2.4
173.02979	3.1
175.04507	1.0
177.00726	3.8
177.02452	10.7
179.02200	1.2
179.04002	0.9
183.01688	2.9
184.04553	0.7
189.00719	19.9
189.02457	28.9
191.02338	1.1
191.04045	2.2
193.05586	0.7
201.02519	4.2
203.04057	0.7
205.00281	0.6
207.01764	29.0
207.03545	6.8
219.03554	2.9
223.01187	0.6
225.02885	3.4
230.03339	0.6
231.03535	1.5
231.98074	0.5
249.04689	11.8
267.03635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97596	0.7
56.96572	20.1
65.37848	0.7
66.19759	0.7
69.85457	3.5
71.95280	1.3
84.96024	1.8
86.51391	0.6
91.61227	0.6
94.00561	0.7
98.97593	100.0
100.99158	15.9
101.00890	1.8
106.11808	0.6
110.97562	1.4
112.99160	1.6
116.97805	1.5
116.98634	29.3
119.00223	2.4
119.01939	2.1
128.98619	2.1
131.00160	0.7
134.99689	5.1
143.00175	20.3
143.01900	1.4
146.99664	6.2
158.99689	2.7
161.01241	12.3
161.02829	1.5
165.00746	8.6
170.99733	1.1
173.01207	1.2
177.00687	3.4
179.02251	1.0
183.01842	2.7
189.00731	25.7
189.02281	1.4
191.02351	1.1
207.01781	38.1
225.02885	4.4
230.03535	0.8
235.00996	0.7
238.88327	0.7
249.03160	2.3
267.04193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97596	0.7
56.96572	20.1
65.37848	0.7
66.19759	0.7
69.85457	3.5
71.95280	1.3
84.96024	1.8
86.51391	0.6
91.61227	0.6
94.00561	0.7
98.97593	100.0
100.99158	15.9
101.00890	1.8
106.11808	0.6
110.97562	1.4
112.99160	1.6
116.97805	1.5
116.98634	29.3
119.00223	2.4
119.01939	2.1
128.98619	2.1
131.00160	0.7
134.99689	5.1
143.00175	20.3
143.01900	1.4
146.99664	6.2
158.99689	2.7
161.01241	12.3
161.02829	1.5
165.00746	8.6
170.99733	1.1
173.01207	1.2
177.00687	3.4
179.02251	1.0
183.01842	2.7
189.00731	25.7
189.02281	1.4
191.02351	1.1
207.01781	38.1
225.02885	4.4
230.03535	0.8
235.00996	0.7
238.88327	0.7
249.03160	2.3
267.04193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1648
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
50.78789	0.3
52.09594	0.3
55.05516	0.5
55.69775	0.3
56.96560	0.8
60.04523	0.8
67.05503	0.7
69.07067	2.8
71.58039	0.3
77.79598	0.3
79.05490	0.9
81.07053	1.8
82.06566	1.6
84.04491	0.4
91.05488	0.9
93.07040	1.5
94.06570	2.3
95.08600	0.9
97.10179	0.6
101.49719	0.3
102.06456	0.3
104.99238	0.3
105.07042	2.6
107.08601	1.2
108.08128	1.1
108.51620	0.3
109.10175	0.5
110.77335	0.3
116.46339	0.3
117.07043	0.3
119.08579	1.6
120.08123	0.9
121.10125	0.7
122.09648	1.0
123.04408	0.3
125.06006	0.9
126.05517	0.7
131.08566	0.7
132.08087	0.4
133.10115	1.2
134.09659	2.9
134.19945	0.3
137.03264	0.3
137.05948	0.4
138.05504	2.7
139.07590	0.3
145.10143	0.8
146.09608	0.7
147.11749	0.8
148.11186	1.5
157.10085	0.5
159.11665	1.9
161.13274	3.7
164.07123	0.4
174.09119	0.5
178.15944	0.4
179.09427	0.7
180.10234	0.7
189.12727	0.5
192.10219	0.4
202.15907	8.2
204.17459	0.8
207.14142	0.3
220.17146	0.5
230.15559	0.3
248.16478	100.0
248.20042	3.9
249.16827	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11904	0.9
56.14627	1.0
56.74251	0.9
56.96574	34.3
57.03419	1.2
61.02908	1.6
69.03429	1.6
70.06610	1.1
70.12993	3.2
70.98110	2.1
71.95271	2.1
72.08171	1.6
72.96046	2.5
73.02916	2.7
73.17478	1.0
79.05463	1.3
81.03426	1.2
82.06577	3.5
83.04981	1.7
83.06920	2.4
84.08128	3.0
84.95988	1.3
85.02904	3.7
86.09711	3.9
97.02879	4.2
98.09665	2.0
98.97593	100.0
100.99104	2.2
102.09187	2.6
110.97564	3.7
111.06387	1.6
112.07571	1.2
112.99129	2.0
113.04246	1.9
115.00668	1.4
116.98630	42.2
119.01828	1.4
125.06007	1.5
126.02277	1.4
127.03919	1.9
128.07083	4.0
128.98599	3.6
129.07405	3.8
129.10196	1.2
131.00204	1.1
134.99661	8.9
135.04408	1.1
140.03854	1.8
142.05449	1.2
143.00204	3.2
144.98027	1.2
146.99637	3.0
147.05023	1.1
148.29041	1.1
154.03864	2.0
158.04858	2.6
158.99655	3.0
160.06480	2.4
161.01141	3.5
161.04735	1.4
165.00713	2.5
170.04933	2.0
170.13568	1.1
171.03294	4.4
172.09666	1.8
176.03387	1.7
177.00642	1.6
182.03336	2.3
188.05925	3.3
189.00763	4.9
189.04370	7.3
204.12260	1.6
206.06999	6.0
207.01752	7.3
207.05441	3.3
216.12341	4.7
216.14233	1.7
219.01942	1.1
224.02589	1.4
224.08066	6.6
230.07034	28.5
231.05438	2.5
248.05829	1.4
248.08066	40.7
248.14722	7.1
248.16951	2.8
249.02870	1.2
266.09131	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	247.1696
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.83372	0.9
51.88586	1.1
53.03937	2.1
55.01863	1.9
55.05518	10.9
56.96549	3.0
57.03428	3.0
57.07066	4.7
59.75880	1.0
67.05210	1.2
67.05506	13.4
69.03419	3.1
69.06725	1.2
69.07072	17.6
71.04984	4.5
71.57739	1.7
79.05500	13.3
81.03419	1.7
81.07066	22.5
82.06586	2.9
83.04986	5.2
83.08613	6.3
85.06548	8.6
87.00829	1.1
91.05482	17.3
91.49249	1.0
93.07054	20.6
93.65800	1.1
95.04977	2.3
95.08039	2.0
95.08614	26.4
97.02885	1.4
97.06534	2.1
97.10196	1.9
98.97630	2.5
99.04437	3.4
99.66617	1.1
101.06028	2.7
103.05479	2.6
105.07037	29.1
107.08596	19.8
109.06498	3.6
109.10165	11.4
111.08121	1.4
115.05447	2.8
116.06211	2.1
117.07008	11.7
119.08592	42.8
119.09454	2.2
121.06494	3.0
121.10154	11.4
123.08047	3.7
123.11696	2.4
125.02319	1.5
127.07575	2.4
128.06215	1.3
128.07077	3.5
129.06981	3.9
130.06512	2.4
130.07774	3.9
131.08582	33.5
132.08022	1.4
133.10133	41.7
135.08064	5.6
135.11742	5.6
137.13252	2.3
141.06953	2.4
142.06731	1.0
142.07747	2.5
143.08557	7.6
144.09402	2.6
145.06477	1.9
145.10135	49.4
146.06024	3.9
147.08044	2.7
147.11691	12.1
149.09592	3.5
149.13277	2.7
153.09070	1.1
155.08554	3.7
156.09354	1.8
157.10126	7.9
158.07294	1.8
158.10893	3.8
159.08018	5.6
159.09215	3.7
159.11696	30.9
160.08870	1.2
161.09560	5.9
161.13242	2.4
163.07550	2.2
163.11211	1.4
163.14828	1.9
169.10178	5.1
170.10837	3.7
171.11693	4.4
172.04988	1.4
172.12489	6.7
173.09581	8.5
173.13289	15.5
174.14056	2.5
175.14830	8.4
177.09090	5.8
177.12639	1.2
179.10684	1.2
181.10089	1.4
183.11703	3.1
185.13271	19.6
187.07497	2.8
187.11295	6.2
187.14833	69.4
188.07071	3.8
189.12749	1.5
191.10672	13.1
191.17830	1.5
196.12485	3.4
201.10287	2.2
201.12756	3.8
201.16396	10.3
205.12230	6.9
211.14853	15.9
215.13939	1.6
217.08548	1.8
219.10072	1.2
229.08501	1.9
229.12259	1.8
229.15854	13.5
229.19412	1.5
244.60785	1.4
247.09772	4.7
247.13089	9.5
247.16942	100.0
247.20866	3.8
247.24084	5.4
248.17230	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1696
Annotation	Comosusol C
Peak:m/z	Relative Intensity
54.22981	0.6
55.01862	1.9
55.05518	5.9
57.07085	0.9
59.04983	2.4
67.05519	3.5
67.05784	0.7
69.07074	32.6
70.73380	1.4
70.73785	1.6
73.06560	4.1
79.05493	5.3
81.07047	4.4
83.04928	0.9
83.08640	1.5
85.02917	5.4
85.10207	0.7
87.04446	1.1
91.05482	9.1
93.07063	6.9
95.04973	1.3
95.08606	4.3
97.06531	1.5
99.08023	0.8
100.91216	0.8
103.05491	4.2
104.99292	0.8
105.07043	12.7
107.04996	0.7
107.08577	4.7
109.06491	4.0
109.10163	1.2
111.04456	11.1
113.06054	1.0
115.05453	2.9
117.07024	9.7
118.04075	0.8
119.04935	0.8
119.08599	6.7
121.06525	5.5
121.10139	2.8
123.08059	2.8
123.11732	1.9
125.05997	3.8
129.07001	1.8
131.04935	3.6
131.08588	10.1
131.59785	0.8
132.05681	1.6
133.06520	4.4
133.10117	2.9
135.08064	3.3
135.11705	10.4
137.05983	2.6
137.09572	2.5
141.06976	2.0
143.08574	1.6
144.05659	1.0
145.06496	4.0
145.10123	4.8
147.08026	2.9
147.11755	0.8
149.09628	4.0
151.07516	3.0
151.11188	1.2
155.08615	1.0
157.10066	0.9
158.07263	0.8
159.08025	4.4
159.09190	1.3
159.11734	2.2
161.09608	1.5
161.13213	0.9
163.07539	3.9
163.11200	2.5
165.09116	17.9
167.10617	0.9
171.11717	1.0
173.09644	2.0
173.13254	1.7
177.09117	11.9
179.10684	23.8
187.11200	1.5
187.14836	5.6
189.12779	1.7
191.10692	16.3
197.13281	2.4
205.12251	4.4
215.14342	6.1
219.17349	1.1
229.15823	7.5
247.16953	100.0
248.07280	0.9
248.17146	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1654
Annotation	2,4-Diamino-6,7-diisopropylpteridine
Peak:m/z	Relative Intensity
52.58351	0.7
53.09185	0.8
54.60437	0.7
55.05501	2.3
56.05022	1.1
56.96569	2.0
58.06598	2.0
60.04530	1.6
67.04243	1.1
67.05492	2.0
70.01273	1.6
70.01650	1.7
71.05009	1.1
72.08158	4.3
74.02460	1.0
80.05023	1.8
81.23417	0.8
82.06586	93.6
83.04970	3.6
84.08144	15.7
86.06084	4.5
86.09682	2.3
87.08102	1.0
88.03968	1.9
97.06538	3.7
98.09705	4.4
98.21418	1.1
98.97607	1.9
100.07626	3.2
101.10776	4.3
102.09177	1.7
104.10755	3.1
108.93243	0.8
110.06054	24.3
110.09672	2.3
111.04456	1.1
111.09227	0.9
112.07573	0.9
112.11248	1.1
114.09174	5.1
115.07537	1.1
116.98734	0.8
119.01936	1.0
124.07575	2.5
125.10776	4.6
126.09143	3.1
126.11546	3.8
127.12306	6.3
128.07088	100.0
142.08636	3.8
143.07083	5.5
152.07063	8.9
156.10228	3.4
160.09715	2.5
160.59055	0.9
169.12050	1.7
169.13382	19.6
169.14702	1.7
170.08150	13.5
173.12857	6.4
188.12831	1.0
205.15431	2.7
215.12247	0.6
215.13914	30.7
229.03259	3.9
247.04274	13.6
247.08101	4.8
247.16539	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22833	0.6
55.05481	0.6
60.08166	71.4
71.01044	1.3
77.69769	0.5
85.23257	0.5
91.05501	0.9
115.05464	2.6
117.05811	0.6
117.07022	2.3
118.06547	39.4
124.79678	0.6
142.06573	3.3
143.07304	5.1
144.04514	0.6
144.08089	19.6
146.06013	88.2
154.30905	0.6
160.07625	1.0
170.06020	7.3
188.07069	100.0
189.07405	1.7
247.14481	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	247.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41957	0.8
55.05505	3.7
56.05021	0.9
56.96568	36.5
57.03433	0.9
58.06591	2.7
60.04513	1.1
65.03929	0.7
67.04241	1.2
67.05487	2.5
69.03413	1.5
69.93391	3.1
70.06570	1.0
70.98120	6.5
71.95263	1.9
72.08157	7.2
73.02885	0.7
74.02451	0.8
74.97568	1.3
77.78088	0.7
82.06583	96.9
83.04991	4.1
84.04468	1.8
84.08152	15.3
84.96029	4.3
85.02903	1.4
85.06500	1.2
86.06070	4.5
86.09697	2.8
87.08128	1.1
88.03987	2.3
88.99152	1.5
97.02876	1.6
97.06521	2.7
98.09698	6.3
98.97588	33.6
100.07635	4.5
100.99126	2.3
101.00862	1.4
101.10774	3.3
102.09219	1.3
104.10716	1.5
110.06047	23.2
110.09660	3.4
110.97555	4.0
111.09138	0.9
112.07571	1.9
112.11271	1.8
112.95531	1.4
112.99129	1.4
114.09174	4.7
115.00694	3.2
116.98631	12.7
118.08717	1.5
119.00163	0.9
119.01903	1.7
124.07607	2.3
125.10767	5.1
126.09116	3.2
126.11536	4.7
126.97022	1.3
127.12310	5.0
128.07086	100.0
128.98601	2.8
129.02255	1.6
130.65689	0.8
130.90575	0.9
130.96550	1.3
131.00157	2.2
133.01753	1.5
134.99649	3.2
141.02237	3.2
142.08655	4.3
143.00179	1.1
143.07019	6.7
144.98117	8.6
145.01666	1.0
146.99579	1.6
147.03293	1.5
147.05038	1.0
149.01215	1.4
152.07069	8.3
155.00108	1.1
156.10213	3.1
156.98190	1.6
157.01773	1.3
158.99657	1.5
159.03291	7.0
160.09666	3.8
161.01172	1.6
161.02962	1.2
161.52531	0.8
162.99106	4.5
169.13380	22.3
170.01697	1.1
170.08127	12.7
173.01234	1.0
173.12842	7.3
174.11354	1.1
174.99144	1.5
175.02827	3.0
177.00571	0.9
177.04352	4.7
178.04878	1.3
179.02316	1.7
181.06207	2.3
184.09706	0.9
186.99129	1.0
187.02774	2.5
188.12846	1.7
201.00821	1.3
202.10730	1.4
203.02289	4.8
205.00221	10.7
205.03796	3.4
205.15509	2.7
211.19118	0.8
215.13922	33.0
221.03331	7.6
223.01314	7.7
223.04878	2.4
229.03294	1.7
229.15509	1.9
247.01688	1.1
247.04393	6.9
247.08138	1.9
247.16542	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	247.1331
Annotation	Curcolone
Peak:m/z	Relative Intensity
51.89070	1.2
53.03955	1.4
55.05500	2.1
57.07066	3.9
59.04978	2.2
65.03933	2.7
67.05510	6.0
69.63649	2.7
69.64050	5.0
79.05495	7.9
81.07061	56.1
82.06569	6.3
83.04980	3.1
84.08147	2.0
90.28097	1.3
91.05483	3.6
93.07039	5.7
95.04962	10.9
95.08614	11.6
98.20741	2.3
103.05462	2.3
105.07017	7.5
107.04955	3.8
107.08565	1.7
109.06548	2.2
109.10140	1.6
119.08558	2.6
121.06525	7.1
121.10092	1.6
122.94064	1.4
123.04417	2.2
123.08045	5.3
125.05980	1.7
128.06224	1.8
128.07054	6.9
129.06998	3.6
130.06474	1.8
131.04909	1.7
131.08591	3.0
133.10133	1.6
135.08043	3.9
135.11668	2.1
137.05983	22.5
144.05751	1.5
145.06456	2.8
145.10104	2.4
146.06026	2.5
147.04343	1.9
147.11655	1.9
149.05997	2.9
151.03912	100.0
153.05473	2.1
157.06419	1.4
158.07231	2.3
159.08025	3.1
159.09178	3.6
159.11708	2.2
161.05959	4.9
161.09624	1.9
163.07516	7.4
163.11043	1.3
165.09090	3.2
169.13286	1.5
173.09587	1.4
173.13158	2.8
174.06735	7.2
176.04820	1.7
177.05406	6.5
187.07547	4.4
188.07059	2.0
189.09120	32.5
191.07022	4.5
199.07513	2.2
201.08862	1.6
201.12749	3.2
201.16364	1.5
205.08540	2.0
205.12242	1.7
214.09863	3.0
215.13892	2.6
219.13771	1.6
229.12219	20.8
247.13307	29.4
247.16698	6.5
247.20528	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	247.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89070	1.2
53.03955	1.4
55.05500	2.1
57.07066	3.9
59.04978	2.2
65.03933	2.7
67.05510	6.0
69.63649	2.7
69.64050	5.0
79.05495	7.9
81.07061	56.1
82.06569	6.3
83.04980	3.1
84.08147	2.0
90.28097	1.3
91.05483	3.6
93.07039	5.7
95.04962	10.9
95.08614	11.6
98.20741	2.3
103.05462	2.3
105.07017	7.5
107.04955	3.8
107.08565	1.7
109.06548	2.2
109.10140	1.6
119.08558	2.6
121.06525	7.1
121.10092	1.6
122.94064	1.4
123.04417	2.2
123.08045	5.3
125.05980	1.7
128.06224	1.8
128.07054	6.9
129.06998	3.6
130.06474	1.8
131.04909	1.7
131.08591	3.0
133.10133	1.6
135.08043	3.9
135.11668	2.1
137.05983	22.5
144.05751	1.5
145.06456	2.8
145.10104	2.4
146.06026	2.5
147.04343	1.9
147.11655	1.9
149.05997	2.9
151.03912	100.0
153.05473	2.1
157.06419	1.4
158.07231	2.3
159.08025	3.1
159.09178	3.6
159.11708	2.2
161.05959	4.9
161.09624	1.9
163.07516	7.4
163.11043	1.3
165.09090	3.2
169.13286	1.5
173.09587	1.4
173.13158	2.8
174.06735	7.2
176.04820	1.7
177.05406	6.5
187.07547	4.4
188.07059	2.0
189.09120	32.5
191.07022	4.5
199.07513	2.2
201.08862	1.6
201.12749	3.2
201.16364	1.5
205.08540	2.0
205.12242	1.7
214.09863	3.0
215.13892	2.6
219.13771	1.6
229.12219	20.8
247.13307	29.4
247.16698	6.5
247.20528	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	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
50.36454	1.9
53.03932	4.6
55.01855	3.2
55.05492	4.7
65.03918	3.7
67.05489	5.9
69.03430	19.3
69.07074	2.4
70.70516	5.4
70.70852	2.0
79.05481	8.8
81.03435	2.4
81.07042	10.4
81.21383	1.9
83.04988	24.9
91.05487	23.2
93.03402	3.0
93.07030	14.0
95.04937	4.9
95.08611	4.4
97.02885	8.6
98.97559	2.6
103.05479	2.2
105.07026	13.3
107.08582	15.8
107.41399	2.2
109.02845	11.0
109.06517	9.5
109.10123	5.1
111.04453	3.6
111.08031	2.2
115.05447	3.9
117.07015	13.1
119.08584	20.9
121.02877	6.3
121.06519	16.6
121.10127	7.9
123.08019	2.2
128.06213	3.3
129.06995	7.5
130.07787	2.3
131.08572	20.1
132.05681	2.5
133.06393	2.1
133.10158	11.4
135.08063	30.2
135.11670	3.1
137.05934	3.5
137.09605	5.4
141.07030	2.0
142.07796	2.6
143.08542	8.4
144.09332	10.6
145.06520	13.2
145.10136	14.8
147.08043	5.8
149.09627	26.4
150.10365	3.7
151.11151	3.9
154.07855	2.1
155.08562	6.4
157.10069	4.2
158.10883	12.1
159.08073	13.6
159.11703	29.5
160.08812	5.4
161.09624	4.6
163.07576	21.0
163.11151	3.3
165.09082	2.8
167.08699	2.2
168.09332	5.5
169.10048	2.7
170.10953	4.8
171.08078	7.6
172.08842	16.8
173.09644	34.0
173.13251	35.7
175.03923	2.8
181.06526	2.1
183.11784	12.1
185.13391	2.5
186.10403	25.3
187.07591	3.5
187.11194	100.0
189.09142	2.9
191.07030	40.5
196.08875	9.1
199.07530	2.7
201.12756	61.3
201.79655	2.0
205.12228	6.9
205.45271	2.2
211.11142	14.0
214.09825	3.5
219.13791	6.4
229.10074	4.5
229.12248	68.5
239.06047	2.2
242.88449	2.3
247.13287	88.8
247.17052	3.5
247.24315	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03939	3.0
55.01868	1.8
55.05502	5.6
57.07046	1.6
60.04518	3.0
62.55116	1.5
65.03934	4.8
67.05496	5.3
69.03123	1.7
69.03436	19.8
69.30267	13.4
70.02937	2.2
79.05495	7.6
81.07059	8.5
83.04993	19.0
91.05484	23.7
93.03387	5.6
93.07065	19.5
93.21629	1.5
95.04965	5.5
95.08634	2.6
97.02927	8.5
102.05544	13.6
105.07034	13.5
107.04901	1.7
107.08598	13.7
108.17428	1.4
109.02896	15.8
109.06532	11.8
109.10162	3.2
111.04437	7.1
111.08081	2.2
115.05451	3.9
117.07020	11.3
119.08585	17.4
121.02887	4.3
121.06522	19.0
121.10146	5.3
122.07251	2.3
123.04412	1.9
123.08049	4.9
128.06229	3.9
129.06993	7.1
130.07831	1.9
131.08586	21.7
132.05766	2.1
133.06476	1.8
133.10147	9.4
135.08067	28.2
137.05959	4.6
137.09644	3.0
141.06955	2.3
142.07770	4.4
143.08531	11.6
144.09341	8.9
145.06508	10.8
145.10133	11.6
147.08051	6.5
147.53812	2.2
149.09637	23.9
150.10397	3.7
151.11179	6.2
155.08557	6.3
157.06480	2.0
157.10165	5.1
158.07242	2.0
158.10957	10.3
159.08089	13.8
159.11700	31.1
160.08823	5.3
161.09634	3.5
163.07567	17.0
165.09093	2.0
168.09427	3.6
169.10152	3.2
170.10944	4.7
171.08073	9.0
172.08833	21.4
173.09656	31.9
173.13269	41.9
183.11705	9.2
185.13287	2.3
186.10379	25.4
187.11201	100.0
189.09146	2.5
191.07056	38.4
193.10092	2.2
196.08864	4.0
199.07605	1.9
201.12762	58.2
205.12265	5.7
211.11194	13.1
214.10001	2.3
219.13829	6.3
229.12250	64.8
231.49716	1.5
247.13304	76.4
248.13170	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76398	1.3
56.96561	4.7
70.08553	1.4
70.80430	1.9
70.80761	2.0
72.08141	1.5
73.09168	1.5
76.27789	1.3
82.06593	8.4
84.08139	1.8
89.79560	1.4
91.31622	1.3
98.97583	4.0
101.00925	1.4
116.98647	1.4
119.01955	1.6
121.46637	1.1
128.07100	9.7
167.03197	2.4
169.13489	1.9
170.08185	1.4
185.92532	1.3
201.07596	1.8
215.13959	2.6
222.61545	1.2
229.03204	41.0
247.04277	100.0
247.16591	4.7
256.81842	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Cybrodal
Peak:m/z	Relative Intensity
51.30080	0.6
56.96561	0.9
57.73503	0.6
64.39835	0.6
69.03435	1.8
70.86543	0.6
71.01283	0.9
71.01601	0.9
71.85969	0.6
72.49226	0.6
79.05479	1.1
81.07040	1.1
82.06578	1.1
91.00078	0.7
91.05476	1.1
105.07030	2.2
107.08549	0.7
117.06985	1.0
119.08574	0.9
121.10136	0.8
128.06255	4.8
128.07088	1.4
129.06992	1.8
130.06581	0.8
131.08618	1.2
133.06468	1.3
141.06949	3.5
142.07788	2.4
143.08565	4.9
145.06543	0.7
145.10156	4.8
146.06067	0.8
153.07001	2.3
154.07787	7.2
155.08569	5.8
157.10135	1.3
159.08061	6.9
159.09212	1.0
161.05969	1.5
165.94080	0.6
167.08521	3.4
168.09351	13.5
169.10138	85.9
170.10574	1.8
171.08063	48.3
178.07758	0.9
179.07063	4.5
179.08449	0.9
181.06525	3.5
181.10152	0.9
183.11703	32.5
184.11858	0.6
185.09703	0.8
187.11186	12.0
188.07111	1.3
189.09135	3.4
193.10144	11.3
195.08159	1.3
196.08817	9.5
211.11194	100.0
212.11571	1.9
229.10471	0.5
229.12253	27.0
247.13316	78.0
247.24568	1.5
247.54181	0.7
248.13638	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	247.013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11191	0.5
56.87764	0.5
56.96572	31.8
63.62318	0.6
66.39209	0.5
66.96529	0.5
69.74893	3.3
70.98128	0.8
71.95271	2.5
72.96084	0.6
74.13142	0.6
74.97598	1.6
75.37296	0.5
84.96046	2.2
97.96781	1.3
98.97594	100.0
102.96949	0.7
110.97571	10.5
112.99133	1.7
115.00651	0.6
116.26579	0.6
116.98638	28.8
124.99164	1.0
126.97063	3.2
128.98608	10.9
130.93280	0.9
131.00203	1.9
132.98125	0.7
134.99667	6.0
138.97063	8.8
140.00194	1.1
143.00198	1.7
144.98117	4.7
146.99672	11.3
154.93364	0.7
156.98111	19.3
158.01324	0.8
158.99669	21.3
161.01291	2.0
162.99171	1.9
165.00754	2.6
172.94458	1.0
173.01146	0.7
174.97682	1.1
174.99181	18.3
177.00739	11.9
179.02251	0.6
184.01512	0.8
186.99095	3.3
189.00713	0.7
190.95409	1.1
191.02255	0.9
193.00266	2.8
201.00752	0.8
205.00221	20.2
217.00305	2.4
223.01295	22.5
235.01358	1.3
241.02324	2.1
247.01314	5.7
247.03835	0.6
265.02353	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	247.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61235	0.6
55.05515	1.2
56.96570	100.0
57.03431	0.7
61.02941	0.8
69.03445	2.0
69.07088	0.5
70.06594	1.4
70.08309	2.0
70.98126	25.9
71.05000	0.8
71.95277	1.8
72.08154	2.1
74.97613	3.7
81.03432	1.2
82.06577	4.8
84.04510	1.3
84.08156	2.3
84.96043	7.3
85.02914	2.4
86.09721	1.3
86.97602	3.6
87.05586	0.6
88.99170	10.1
91.30891	0.5
97.02921	1.3
97.99154	0.6
98.97591	31.8
100.99152	8.8
102.05560	0.8
107.00220	0.9
109.02955	0.6
110.03187	0.6
110.06071	1.2
110.97580	12.2
110.98328	0.8
111.02876	0.6
111.04455	0.5
112.07634	1.3
112.95518	4.1
112.99183	0.8
115.00717	3.1
116.98628	12.5
119.00237	2.6
126.97028	3.9
127.00699	1.2
128.07106	4.7
128.98618	14.7
129.02252	1.1
130.08684	1.7
130.96558	3.4
131.00241	1.8
133.01747	5.4
134.99706	2.4
138.97067	1.6
141.02299	0.9
143.00246	2.1
144.98100	38.0
146.06137	0.6
146.99670	12.7
147.03340	1.8
148.97664	1.5
149.01219	1.2
151.02840	0.7
155.00281	1.0
155.04736	1.2
156.10258	0.7
156.72021	0.6
156.98100	4.9
157.01741	0.8
158.99652	2.9
159.03323	3.0
161.01233	3.5
162.99158	24.3
163.02792	1.1
165.00737	5.1
169.01865	0.8
169.13318	1.0
170.99706	1.5
173.01242	0.8
174.99181	3.8
175.02910	1.8
177.00829	1.7
177.04346	2.9
179.02254	0.9
181.00203	4.1
182.99713	1.0
183.04189	0.7
184.53117	0.6
186.00890	0.7
186.04398	1.0
186.99146	7.3
187.02821	0.7
189.00833	0.8
193.00282	0.8
193.03983	0.9
201.00803	1.7
203.02328	3.0
205.00217	48.7
205.04019	1.8
215.13969	1.4
219.01955	2.0
221.03314	4.2
223.01268	44.8
223.04863	1.1
224.01790	0.7
229.03589	0.9
237.02930	2.1
241.02309	3.4
247.01424	2.4
247.04591	0.8
247.16542	4.3
265.02115	0.9
265.06250	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.8
55.05501	1.3
56.05032	1.0
56.96563	1.8
57.03436	0.6
60.04515	1.6
67.05487	0.7
69.03428	1.0
69.06777	0.7
69.07076	7.7
69.75374	3.2
70.06593	2.1
71.08636	11.9
81.07057	1.0
82.06615	1.0
84.08147	1.1
85.02919	3.8
86.09713	27.5
87.10033	6.3
88.03999	11.9
91.05473	1.8
93.06998	1.8
95.04973	0.9
95.08619	1.2
97.02907	0.6
98.09694	13.0
98.97582	1.3
102.62608	0.6
103.05481	1.1
105.19620	0.7
107.04972	0.7
112.11253	3.9
118.06521	0.6
120.08053	0.6
121.06514	8.3
123.04436	0.6
126.05541	4.2
144.10197	2.3
146.06030	1.0
154.15921	47.4
172.16971	0.8
188.07042	1.3
200.16472	100.0
201.16776	1.2
225.07103	0.7
246.07649	2.0
246.11227	5.1
246.13905	1.5
246.16977	9.2
246.24306	0.8
247.06151	0.6
247.10791	0.9
247.14284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1451
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
53.03937	3.4
55.01868	4.3
55.05513	3.7
56.05048	1.6
56.96567	34.1
57.03437	5.7
58.06587	3.6
58.20786	1.6
58.99596	3.3
59.05004	3.1
61.02931	2.8
63.68756	1.8
67.05502	7.6
68.05037	2.3
69.03432	6.5
69.07068	55.9
69.41351	11.9
70.02951	13.7
70.06600	12.0
70.98121	2.0
71.04990	12.0
71.44185	1.8
72.08155	42.6
73.02911	6.8
73.06561	4.4
79.05485	4.3
81.03418	3.7
81.07056	3.2
82.06581	9.1
83.04998	4.8
84.04501	5.6
84.08147	19.5
85.02915	7.0
85.04034	21.2
85.06598	3.3
86.06066	2.1
86.09706	75.5
87.05595	80.3
88.03989	6.1
91.05492	2.3
95.04970	5.5
96.04494	3.0
96.08134	7.3
97.02896	7.7
97.06509	9.5
98.02428	25.6
98.09679	4.3
98.97581	20.2
100.07610	3.4
100.99194	2.2
102.05552	2.6
102.96857	2.3
109.06496	3.2
110.02409	69.7
110.97559	3.8
111.02646	4.7
111.04469	1.9
112.07613	5.8
112.99163	3.0
113.06000	4.1
113.10768	54.5
116.07159	2.1
116.98631	6.9
119.01755	1.8
122.06040	3.0
122.09659	2.9
123.04420	5.1
124.03979	13.8
124.07623	6.1
125.07983	4.0
128.07079	4.7
128.98656	2.7
129.10262	4.1
130.06529	1.7
130.08627	5.5
131.00218	3.8
132.10197	25.2
134.04512	3.5
134.99655	2.2
138.09152	7.4
139.02199	2.2
140.07089	3.9
141.10236	92.7
143.11798	4.7
145.46660	1.9
146.99664	2.4
147.11348	2.0
148.06052	3.2
149.01216	2.5
151.03865	2.3
155.01645	5.2
155.11760	9.3
158.99657	3.6
166.03859	2.0
166.08644	85.3
168.06590	5.6
169.09756	7.9
175.02892	2.0
175.04460	4.4
182.08144	2.3
183.01096	19.1
183.11299	14.6
187.02818	2.1
187.10780	61.4
191.11807	7.6
197.01317	2.7
200.07092	2.7
200.13963	32.5
201.02206	8.5
201.12410	2.3
202.10735	2.2
205.00235	2.5
211.10812	10.3
212.09187	100.0
214.10641	3.4
214.14351	2.3
219.01805	2.4
223.01123	2.3
228.12245	2.9
228.13593	1.8
229.11850	36.9
232.04927	2.3
237.02670	3.4
246.07901	8.9
246.10025	2.9
246.13135	10.8
246.16998	8.4
246.57272	3.1
247.06541	6.9
263.01117	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
67.41911	0.3
69.03406	0.3
69.07072	0.7
70.45133	0.7
70.45502	0.7
71.65362	0.3
81.36652	0.5
86.09714	100.0
98.97594	0.9
132.10223	4.0
198.57877	0.3
199.18111	0.9
224.09943	0.3
238.81349	0.4
245.18636	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	245.0921
Annotation	Brunnein A
Peak:m/z	Relative Intensity
54.29505	0.4
69.43089	2.2
69.43513	1.5
69.51882	0.4
72.08153	1.3
86.09694	0.8
87.00812	1.3
98.20773	1.0
115.05453	2.9
117.05743	3.1
118.06532	2.8
118.77007	0.5
129.06987	2.1
130.06535	11.0
132.08092	49.8
133.08385	0.6
142.06512	8.2
154.06516	0.9
156.06909	0.7
156.08101	4.8
157.07629	7.8
158.06010	1.0
158.07208	0.7
158.08411	6.9
159.09178	100.0
159.61310	0.5
160.07585	8.9
160.09573	1.6
167.06035	4.4
167.34476	0.5
170.06000	3.5
171.06889	0.6
172.07674	1.3
181.07622	2.0
181.47330	0.5
182.05974	1.1
183.09233	1.2
184.07571	16.2
185.07097	46.0
186.07487	0.7
199.08658	2.0
200.05392	0.9
200.07086	7.4
201.10257	12.3
209.07162	2.0
217.09717	0.5
227.08159	38.8
228.08340	0.6
235.17331	0.5
245.09221	22.3
246.09485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01874	0.7
55.05510	1.8
56.96569	5.4
57.03433	0.8
57.07074	0.6
58.06589	0.3
58.07399	0.5
58.99582	0.5
59.05016	0.3
61.02905	0.3
67.05499	1.4
68.05022	0.8
69.03426	1.4
69.07054	1.3
70.06589	1.6
71.05006	1.4
71.36789	0.7
72.08164	2.7
73.02916	0.5
73.08475	0.3
74.97631	0.3
76.02234	1.4
79.05499	5.2
80.05014	1.1
81.03397	0.3
81.05807	3.7
81.07053	5.2
82.06574	0.8
82.07381	0.8
83.04981	1.0
84.04505	0.5
84.08145	1.5
84.96025	0.5
85.02913	1.7
85.06544	2.0
86.06076	1.7
86.06886	0.8
86.09709	1.3
87.40388	0.3
91.05440	0.3
94.06581	2.0
95.04962	0.9
96.04490	1.3
96.08134	18.1
97.02879	0.9
97.06515	0.3
98.97584	5.6
99.04496	0.4
99.08070	1.3
100.07623	3.5
100.08342	0.6
101.07938	1.9
103.05460	0.3
104.39394	0.4
106.06577	2.7
107.04956	1.3
109.06538	0.6
110.63748	0.3
110.97591	0.8
111.02660	1.1
111.04423	0.5
111.05566	0.4
112.07620	0.6
112.99138	0.4
113.06007	0.6
114.03758	0.5
114.06342	0.5
115.05463	0.4
115.08694	1.5
116.98630	2.6
119.01868	0.5
121.06472	0.4
122.02729	1.9
122.06097	0.4
123.04414	0.4
124.07597	100.0
125.06032	0.3
125.07936	0.9
126.09176	0.6
127.03896	0.5
127.07566	0.6
127.09515	0.5
128.07959	0.4
128.98630	0.9
129.07083	0.4
131.00133	0.5
132.08067	0.3
134.99689	0.7
137.06030	0.4
139.03943	0.6
141.02165	0.3
141.10193	0.4
144.10231	0.6
146.99670	0.4
148.36772	0.3
149.05991	0.4
152.07169	0.3
155.01601	0.4
156.01930	0.3
156.04774	11.5
157.06487	0.7
158.06175	0.4
158.99701	0.7
159.09213	0.7
161.01212	0.3
161.03043	0.3
161.07117	0.3
163.02773	0.3
167.12621	0.7
168.10263	0.4
173.04916	0.4
177.00708	1.0
181.09776	0.5
181.14160	1.2
183.01158	0.7
185.04671	0.3
186.14876	0.3
199.07451	0.4
199.09010	8.3
200.00951	0.5
203.02310	0.4
203.05945	0.7
203.07829	0.4
206.02783	0.7
213.67532	0.3
214.10776	0.4
219.01793	0.7
227.14558	1.3
228.03288	0.4
228.07004	1.1
237.02882	0.4
240.05569	0.4
245.07317	0.7
245.09685	7.2
245.11809	0.4
245.15778	8.9
246.07826	0.8
246.13455	0.7
246.17088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1545
Annotation	2-ethylacrylylcarnitine
Peak:m/z	Relative Intensity
53.03953	0.9
53.59462	0.3
55.01885	1.3
55.05511	4.7
56.05056	0.4
56.96569	5.2
57.03439	7.6
57.03699	0.6
57.07078	11.4
58.06585	0.5
61.02940	0.5
63.66137	0.3
65.03960	0.6
67.05509	5.8
68.05047	0.5
69.03436	2.4
69.07061	2.1
70.02948	0.4
70.06598	5.2
71.04976	2.1
71.57320	0.5
72.04498	0.5
72.08161	8.7
73.02943	0.8
79.05494	3.8
80.05002	0.9
81.03426	1.3
81.05785	0.4
81.07061	14.0
82.02953	1.0
82.06592	3.5
83.04977	3.2
83.06084	0.4
83.08613	0.7
84.04528	2.6
84.08147	5.0
84.96035	0.8
85.02911	4.7
85.04859	0.5
85.06548	30.5
86.03566	0.3
86.06090	0.9
86.09708	1.8
87.04482	1.1
87.10033	0.9
90.04062	0.3
91.05479	1.4
93.07063	0.9
94.06587	0.9
95.04985	1.9
95.08602	0.8
96.04503	1.7
96.08134	4.9
97.02888	3.8
97.06552	0.5
98.06069	0.7
98.09709	0.6
98.97591	6.4
99.04476	0.7
99.07594	0.2
99.08101	16.8
100.07625	55.4
100.11291	0.4
101.06026	2.1
102.05524	0.9
105.07040	0.8
106.06570	0.6
107.04982	0.5
108.08154	0.9
109.02922	0.7
109.06533	2.9
110.01266	0.4
110.06052	1.7
110.09707	1.5
110.91375	0.3
110.97573	1.1
111.02684	1.1
111.04420	0.6
111.08115	0.8
112.07613	10.7
113.06010	8.3
113.06817	0.5
113.07157	0.5
113.09673	1.4
114.09151	0.4
115.03915	0.4
115.08739	0.7
116.07137	0.4
116.98628	3.2
118.08651	0.7
119.01823	0.5
121.06522	2.6
121.10140	0.5
122.06039	0.6
123.04420	0.3
124.03951	1.2
124.07600	22.0
124.99171	0.3
125.06013	2.5
125.09624	0.5
126.09167	4.9
127.03918	0.7
127.07567	14.0
127.11210	0.8
128.02380	0.6
128.07085	0.4
128.10699	0.4
128.98619	1.3
129.10255	0.7
130.05016	0.4
131.00186	0.6
131.08250	0.4
133.10521	0.4
134.99626	0.6
135.08015	0.4
136.07607	0.9
137.00600	0.7
137.02353	1.1
137.05989	0.5
138.05511	0.8
138.09161	4.1
140.07068	1.1
142.08635	1.0
143.00201	0.5
144.10205	6.5
145.08580	1.1
147.11681	0.4
148.03856	0.4
149.01273	0.7
152.07047	1.0
152.10706	4.9
152.11852	0.5
154.08614	0.8
155.01639	2.8
156.04776	1.9
158.08110	1.7
158.99709	1.8
161.01236	0.7
162.05464	0.6
162.09125	0.6
162.55632	0.8
164.07082	1.0
166.04967	0.4
166.08653	1.3
166.12285	11.6
167.02960	0.4
170.99644	0.5
175.10826	0.4
177.00702	0.9
180.10217	1.0
180.13846	13.6
180.99553	1.7
181.12270	0.5
182.99585	0.4
184.09668	0.6
185.01297	0.4
194.11772	3.0
196.09712	0.8
198.04152	0.5
198.11221	0.4
198.13148	0.9
198.14954	0.6
199.00584	3.8
199.09052	1.3
203.02336	0.5
206.02724	0.4
208.09720	3.6
208.13298	3.4
212.12805	1.8
214.03979	0.4
215.06808	0.3
216.04573	0.6
219.01764	1.2
221.01306	0.4
223.09042	0.6
223.55293	0.9
226.11009	2.3
226.14383	17.9
227.13907	0.8
229.00235	0.8
237.02873	0.8
244.06337	1.5
244.11960	4.6
244.15448	100.0
245.09560	1.0
245.15828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35443	10.4
56.96562	66.9
60.71418	11.1
69.03435	17.8
70.17413	11.1
71.35023	19.7
72.08140	15.1
73.02928	13.5
85.02904	27.9
85.28602	13.0
90.49784	12.7
91.46385	11.2
97.02881	27.3
98.97589	100.0
100.07631	19.5
103.02497	11.3
111.97134	10.5
112.05099	27.4
112.99128	20.2
116.98597	39.8
145.01813	11.7
149.90503	13.0
178.04874	28.8
187.46880	14.0
202.03925	21.4
214.66646	13.4
226.03922	13.8
244.04874	38.9
244.09479	35.3
244.11723	13.0
244.15399	14.2
262.05966	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	244.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
55.42992	0.9
56.96564	1.0
60.04531	10.5
67.05476	0.8
69.07072	83.6
69.18095	7.5
70.02959	7.3
70.21509	0.7
81.07039	0.8
82.67993	0.7
88.03999	53.8
97.06534	4.2
98.97643	1.0
102.05549	100.0
113.02380	1.3
121.06519	0.6
124.07594	6.1
126.23447	0.8
130.05020	2.3
134.04471	0.7
148.06053	93.3
149.06123	0.9
166.08643	12.4
182.79549	0.8
184.09708	4.7
198.11269	13.1
208.77313	0.7
212.09190	2.1
226.10776	2.9
244.11827	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.9
56.96290	4.9
56.96571	100.0
57.03439	5.7
58.06594	3.3
61.02913	9.8
69.03428	10.4
69.61911	16.3
70.06590	14.5
70.98135	17.4
71.04988	5.6
71.95278	12.5
72.08158	32.7
72.96034	3.6
73.02923	6.1
81.03422	5.9
83.04958	2.3
84.08130	8.6
84.96033	7.1
85.02920	12.0
88.46841	2.6
97.02333	3.3
97.02892	17.7
97.99191	3.9
98.97593	62.4
100.07644	3.5
100.39341	2.4
100.99156	5.9
101.00888	3.4
103.02386	2.4
110.09682	6.8
110.97559	10.5
112.04345	4.2
112.05101	72.3
112.99141	14.4
115.00735	3.4
115.08689	4.3
116.98607	21.7
118.02835	4.9
124.95496	10.9
127.00674	3.8
127.03941	4.7
128.07063	3.0
128.10741	5.0
128.98579	6.2
131.00180	12.8
133.03293	4.5
134.99670	6.0
140.02310	2.3
141.03108	9.7
142.01854	3.4
142.96536	7.4
145.01736	6.0
145.05048	3.2
148.03903	8.0
148.54031	3.4
149.01251	3.1
150.03616	4.9
152.05754	5.4
154.03877	7.4
156.03415	2.4
157.01726	4.9
157.04381	2.6
158.01230	4.4
158.04953	8.2
158.08116	5.0
158.99681	4.4
163.02821	7.4
163.04431	18.8
169.04460	10.5
170.96059	9.3
172.02837	5.7
174.99110	3.0
175.02779	7.3
176.05960	4.7
178.04961	34.0
178.55087	5.4
184.02795	4.5
184.05048	2.9
184.06482	8.3
187.02705	2.9
188.97110	26.6
189.00703	3.6
191.03940	3.1
193.00056	3.7
193.03845	3.6
201.00763	2.3
202.03897	7.1
202.07553	8.5
202.98645	5.6
205.03772	3.3
206.98164	4.8
212.05920	4.0
218.10611	2.9
219.01799	3.6
220.04959	5.0
220.99756	3.6
226.11880	6.4
230.06917	4.6
237.02806	3.1
244.04913	6.4
244.09116	15.0
244.11662	2.4
244.16612	4.0
262.05823	3.2
262.09702	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	244.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04140	0.1
56.96568	2.9
60.95856	0.4
69.40609	0.6
69.41034	0.6
71.95258	0.6
76.19827	0.2
82.99849	0.4
83.99952	0.2
84.96009	0.2
98.21520	0.3
98.97591	7.1
99.97924	2.5
100.07574	0.2
100.97196	0.9
100.98006	0.5
101.00887	3.7
101.97169	0.9
102.00951	2.2
102.96230	0.3
102.96872	2.2
103.00622	0.5
116.98630	5.4
117.98940	2.1
118.02539	0.1
118.98219	0.7
118.99075	0.4
119.01929	9.4
119.98245	0.7
120.02013	5.8
120.74809	0.2
120.97929	1.4
121.01675	0.9
123.97906	0.2
130.93259	0.4
131.01909	0.3
131.06525	0.1
133.03534	0.2
134.99673	2.4
135.99962	1.4
136.99222	0.3
137.02957	1.9
137.99384	0.4
138.03053	0.9
138.98949	0.5
141.98961	0.7
142.03566	0.2
143.00172	0.2
143.01912	0.3
152.22966	0.2
153.00618	0.2
154.01045	0.3
156.30042	0.2
157.03458	0.3
158.99873	0.6
160.00000	2.6
160.99669	0.5
161.01761	0.2
161.02957	1.3
166.99828	0.2
173.01228	0.2
173.02892	0.2
174.01520	0.2
175.04457	0.3
176.03099	0.4
177.00951	4.4
178.01053	21.2
179.00714	4.0
179.03833	0.2
180.01492	0.2
183.99991	0.6
184.99640	0.2
185.02885	0.2
194.04243	0.4
196.02086	0.2
200.03069	0.2
201.00983	0.2
201.02644	0.4
202.01035	2.6
203.00674	0.3
203.04048	0.3
218.04216	3.6
219.01994	2.4
219.03909	0.5
220.02130	26.2
220.94440	0.2
220.97366	0.2
221.01759	5.1
221.04984	0.3
226.00967	2.0
227.00629	0.3
235.00841	0.4
238.03178	0.2
238.98410	1.5
243.03746	0.3
244.02124	11.4
244.98093	0.2
245.01839	1.1
245.05074	0.8
256.96457	0.2
261.02802	0.2
262.03204	100.0
262.99371	0.4
263.02878	12.9
264.03659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1016
Annotation	RESVERATROL 4'-METHYL ETHER
Peak:m/z	Relative Intensity
50.49364	0.2
53.03940	1.0
55.01873	1.8
55.05503	1.0
67.05498	1.0
69.03417	0.8
71.29124	0.3
77.03916	0.3
79.05476	1.9
81.03415	1.1
81.07065	2.0
82.38829	0.2
83.04988	1.3
91.05493	1.3
93.07041	0.5
95.04958	0.9
103.05467	0.9
105.07027	1.3
107.04963	3.3
108.05785	0.3
109.06536	1.6
115.05438	1.0
116.38927	0.3
117.07042	2.0
119.04942	0.5
121.02882	0.3
121.06517	0.3
123.04397	0.7
123.08044	0.2
128.06215	1.3
129.07007	2.1
131.04976	1.2
131.08559	0.8
133.02835	0.4
133.06473	0.8
135.04424	1.3
141.06999	1.7
143.08554	0.5
144.05692	0.6
145.06493	7.1
146.03728	0.3
147.04404	2.7
149.02335	1.5
149.05977	0.3
152.06190	0.3
153.06999	0.9
154.07796	1.9
155.04874	0.3
155.06015	0.3
155.08551	0.8
157.06494	2.2
158.07283	1.2
159.04420	0.8
159.08064	1.3
159.11777	0.3
160.05235	3.0
161.05994	3.1
163.03902	2.2
164.04781	0.5
165.06979	0.9
166.07806	0.3
167.03363	0.7
167.08604	0.8
168.05740	0.2
169.06471	0.8
169.10121	1.7
171.08083	0.9
172.05045	0.2
172.08777	0.4
173.06000	4.0
173.09618	1.0
174.06763	1.0
175.03906	0.7
175.07576	1.1
178.07741	0.4
179.08559	2.1
181.06461	2.3
182.07251	1.6
183.08060	2.5
184.05254	0.3
185.05984	3.0
186.06668	0.3
187.03909	4.7
187.07513	0.9
187.11214	1.4
189.05452	5.8
189.07005	0.4
197.05963	0.4
197.09633	2.9
199.07545	2.2
199.11238	0.2
200.04704	1.2
200.08281	0.6
201.05487	1.6
201.09088	3.4
203.07037	0.4
207.08060	0.3
210.06807	1.1
211.07532	3.0
213.05428	1.1
213.09064	0.3
214.06277	0.5
215.07039	0.4
215.10658	2.7
225.09099	6.0
227.07013	2.8
228.07803	1.5
241.08560	0.3
243.10173	100.0
244.10551	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	243.1019
Annotation	Hircinol
Peak:m/z	Relative Intensity
55.01874	7.1
55.05512	0.9
67.05503	2.5
69.07059	2.3
79.05504	1.7
81.03403	1.4
81.07061	2.2
83.04980	1.4
85.02902	2.1
91.05474	4.0
93.04523	1.0
93.07034	1.7
95.04941	1.4
95.08611	2.1
99.05565	1.1
99.63062	0.8
105.07037	2.9
109.06544	1.0
109.10141	1.5
115.05434	2.4
117.07027	1.1
119.08562	2.1
120.05600	1.7
121.10154	1.3
123.08054	1.2
128.06224	1.9
129.06990	4.4
131.08562	2.3
133.06520	1.1
133.10068	1.2
141.07028	2.6
142.07771	7.9
142.15886	1.1
143.08528	2.0
145.06461	3.6
145.10121	4.0
147.04443	1.4
147.11690	1.7
149.02299	1.4
152.06126	1.7
153.07004	5.2
154.07780	2.5
155.08559	39.9
156.09117	0.8
157.06468	2.5
157.10121	4.2
158.07262	2.1
159.08075	1.0
159.11684	2.9
160.05251	0.8
161.06027	1.2
161.08238	9.9
163.03873	1.5
165.06990	1.6
167.08615	1.3
168.05722	1.5
170.07268	3.7
171.08063	2.3
172.08847	7.7
173.05957	1.9
173.09595	4.7
173.13191	1.4
181.06468	1.9
182.07263	7.0
183.08026	18.4
183.09453	1.7
185.06018	1.8
185.09639	18.3
187.03996	1.3
187.07487	0.9
187.11205	2.0
187.14755	1.9
189.05463	2.4
197.05997	2.8
197.09641	8.5
198.06781	24.4
199.07559	4.5
200.08372	2.4
201.09109	4.2
201.16373	2.1
202.10876	8.5
207.15941	1.1
210.06810	3.3
211.07602	4.3
212.08359	3.7
213.09116	100.0
214.09598	3.2
215.10687	7.5
220.11935	3.3
221.42517	1.0
225.09111	13.4
227.06989	1.6
228.07707	1.2
243.10178	64.2
243.17397	2.6
243.21127	10.7
243.28755	5.3
244.10301	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1177
Annotation	(S)-N-Benzoyl-2-hydroxy-2-phenylethylamine
Peak:m/z	Relative Intensity
51.02375	0.6
53.03954	6.1
53.35307	0.5
55.01869	0.7
66.48545	0.4
67.05518	0.6
69.07048	0.5
70.06587	0.5
71.58321	0.6
77.03933	1.3
79.05499	1.0
81.03423	0.6
81.07082	0.8
83.04964	0.4
91.05489	11.0
93.07059	9.9
94.02962	0.7
95.04980	6.0
96.08904	0.5
98.97595	0.8
101.11636	0.5
102.38898	0.4
103.05478	8.1
105.03400	100.0
106.03726	1.2
107.08604	0.5
121.06516	70.8
122.06049	1.3
122.06883	1.0
149.07419	0.5
173.71252	0.4
215.73013	0.5
242.09525	1.0
242.11816	11.5
242.15598	0.9
242.19728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61274	0.3
55.05483	0.4
56.96560	2.3
57.03420	0.3
58.06603	18.4
61.02919	1.0
69.03419	0.7
70.06589	3.4
70.69767	0.2
71.55487	0.3
72.08176	0.5
81.03401	0.8
84.08147	10.7
84.96011	0.2
85.02886	0.5
91.80473	0.3
95.01346	0.2
97.02884	0.7
98.06077	0.3
98.09711	2.1
98.97589	2.7
99.04461	0.3
100.11266	0.4
104.10693	0.4
104.81419	0.3
110.97559	0.2
112.99125	0.6
114.05497	0.3
116.07090	0.4
116.98600	0.9
124.11069	0.3
126.02598	0.3
126.05518	0.7
126.09179	0.3
128.10733	3.6
131.00212	0.3
131.01874	0.2
144.10210	1.5
148.03848	0.3
152.07042	0.3
152.10791	0.3
158.99663	0.4
168.10178	1.1
178.04825	0.5
178.26349	0.3
179.08287	0.3
196.09692	5.6
211.27475	0.2
213.15962	0.6
217.00214	0.3
219.01866	0.2
223.04903	0.3
231.41660	0.2
237.02951	0.4
241.15479	100.0
242.13760	0.3
242.15845	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.05514	6.7
56.96560	1.8
57.07076	4.8
67.05506	6.7
69.07073	6.4
69.56876	4.2
69.57286	1.3
79.05495	7.1
81.07069	6.0
83.08618	5.5
86.45461	0.9
91.05489	12.4
93.07056	4.5
95.08611	9.0
98.20691	0.8
105.07041	10.7
107.08588	4.4
109.10142	2.7
111.71225	0.7
114.84560	0.7
115.05462	1.6
116.36835	0.7
117.07025	35.3
119.08589	6.8
121.10149	5.1
123.11706	1.3
128.06215	4.1
129.07018	16.5
130.07788	1.6
131.08578	37.9
133.10138	10.7
135.11690	1.1
141.07045	1.0
142.07808	2.6
143.08565	18.7
144.09343	1.9
145.09033	1.4
145.10132	21.4
147.11694	7.6
155.08571	2.9
156.09335	0.9
157.10153	19.0
159.11703	53.1
161.13260	2.8
169.10080	1.5
170.10956	1.0
171.11702	25.8
173.13283	33.6
183.11685	1.3
185.13272	30.6
187.14850	3.6
197.13298	1.7
199.14836	28.0
212.15665	1.2
213.09065	1.2
213.16351	5.8
241.08620	4.3
241.12531	2.0
241.19524	100.0
242.19771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.77869	0.2
55.05510	0.4
56.96569	4.2
57.03437	0.3
58.06602	17.4
59.14891	0.2
63.68940	0.3
69.03410	0.9
69.07059	0.5
69.91679	1.5
69.92002	0.3
70.06595	3.4
71.04967	0.4
72.08151	0.4
73.02923	0.4
73.06562	0.5
81.03409	0.8
83.04949	0.5
84.08146	10.0
85.02882	0.9
85.06537	0.3
97.02908	0.9
98.06052	0.3
98.09683	1.9
98.97589	12.0
110.97555	1.1
112.06918	0.4
112.07626	5.2
112.99121	0.6
113.07924	0.3
114.05537	0.5
116.07128	0.3
116.98618	3.5
124.60820	0.3
124.85899	0.3
126.05532	0.4
126.09145	0.5
128.10716	3.5
128.98633	0.5
130.08641	2.9
131.00214	0.3
134.99620	0.6
144.10205	1.2
145.01590	0.3
147.03290	0.4
148.09618	0.4
150.71605	0.3
155.04691	1.9
158.99713	2.4
159.03307	0.3
164.05222	0.4
168.10219	0.9
169.04343	0.3
170.99762	0.4
172.09741	1.8
177.00691	1.0
189.04295	0.5
196.09706	5.4
201.00784	0.5
213.15971	0.7
217.00163	0.4
217.03883	0.5
219.01828	1.4
237.02797	0.8
239.02373	0.3
240.59148	0.6
241.15475	100.0
242.15840	0.9
258.99750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.96570	1.6
57.03410	0.5
58.06603	20.4
60.08142	0.3
61.02938	1.4
61.72979	0.2
68.04982	0.3
68.27906	0.3
69.03413	0.4
70.06250	0.3
70.06591	3.4
71.04968	0.4
71.54621	0.5
72.08154	0.6
81.03408	0.8
84.08147	10.8
84.96008	0.4
85.02901	0.8
87.04498	0.3
97.96774	0.4
98.06046	0.4
98.09706	1.9
98.97602	2.6
100.11262	0.5
104.10754	7.8
110.97527	0.7
112.99164	0.5
114.05521	0.3
114.09190	0.3
116.07064	0.6
116.10751	0.4
116.98625	0.7
121.25363	0.3
126.05534	0.6
127.03909	0.3
128.10710	4.0
131.00246	0.3
131.01860	0.3
135.03127	0.4
141.04269	0.6
144.03560	0.3
144.10213	1.3
145.01706	0.3
146.08119	0.4
148.03885	0.7
157.04387	0.4
158.99658	0.4
160.67638	0.3
161.62898	0.3
168.10158	0.8
177.00676	0.4
183.04308	0.3
185.03896	0.3
196.09691	5.7
204.02829	0.3
210.05241	0.3
213.15926	0.6
219.01756	0.4
223.04858	1.3
241.12598	4.9
241.15479	100.0
242.13698	0.3
242.15860	1.5
251.04312	0.4
264.35776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1225
Annotation	3,5-Dimethoxystilbene
Peak:m/z	Relative Intensity
51.02369	0.3
53.03945	0.3
55.05516	0.5
57.07049	0.3
60.90399	0.2
65.03935	1.6
67.05515	0.7
69.07072	0.4
71.58504	0.6
79.05510	1.5
81.07066	0.9
83.01347	0.9
85.02903	0.4
91.05487	100.0
92.05820	0.8
93.07028	0.7
95.04975	0.7
95.08623	0.5
103.05481	0.6
105.07038	4.5
107.04945	1.3
107.08532	0.5
109.06531	0.6
111.04476	0.4
115.05487	0.8
117.07022	2.7
119.04955	2.0
119.08579	0.6
120.05719	0.9
121.06512	3.0
123.04411	0.5
128.06216	0.8
129.07027	1.9
131.08578	0.7
135.04417	1.0
135.08052	0.9
137.05989	9.6
141.07013	2.7
142.07736	0.5
143.08507	1.4
149.06001	2.3
150.06723	1.9
152.06233	0.4
153.06972	0.6
155.08556	1.9
157.10136	0.5
159.11649	0.3
161.05984	0.4
163.07570	2.6
165.06996	1.3
166.07779	0.4
167.08589	0.9
168.09357	0.4
171.08095	0.6
171.11702	0.5
175.07530	0.3
178.07782	1.8
180.09300	0.6
181.10121	1.1
183.11771	0.7
185.13321	0.6
193.10147	1.0
195.08057	0.5
195.11761	1.2
199.07593	0.4
208.08838	1.0
209.09628	0.3
211.07556	0.5
213.09132	0.9
213.12729	1.0
223.07881	0.3
223.11156	1.2
224.08400	0.4
225.09183	0.5
226.09920	2.3
239.10619	0.5
241.12256	45.8
241.19440	1.4
242.12517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1074
Annotation	CMPF
Peak:m/z	Relative Intensity
53.03937	0.8
55.01868	2.8
55.05505	2.3
56.05025	1.1
56.96568	3.7
56.99992	0.6
57.03434	3.1
60.04516	0.7
65.03933	1.6
67.05510	4.0
69.03428	5.0
69.07073	2.2
69.24785	2.7
69.25207	3.5
70.02958	0.6
70.06583	2.3
71.05006	3.1
72.08164	0.9
73.02914	2.2
75.04485	1.0
79.05498	6.3
81.03410	2.2
81.07047	7.1
82.06581	2.6
83.01310	0.9
83.04984	3.6
83.08624	1.1
84.07688	1.1
84.08149	15.1
85.02901	2.8
85.06540	1.2
86.09729	1.6
87.04494	0.6
91.05489	8.6
93.07056	4.8
94.02937	0.9
94.41177	0.6
95.01331	1.7
95.04983	5.4
95.08623	3.6
96.08134	1.4
97.02913	3.6
97.06533	2.4
97.08508	0.9
98.06080	0.7
98.20705	1.2
98.97585	5.7
99.04471	3.7
101.02380	3.2
102.85023	0.6
103.05484	1.1
105.03378	0.8
105.07045	3.7
107.04965	5.7
107.08604	3.6
108.05737	1.2
109.02901	1.7
109.06532	3.8
109.10149	2.3
110.04797	1.5
111.04449	1.5
111.05582	2.0
111.08095	0.7
112.07562	1.3
113.62869	0.6
115.05474	0.8
116.98633	2.6
117.07044	0.9
119.04963	1.9
119.08581	1.8
121.02864	0.7
121.06524	8.3
121.10131	3.1
123.04414	4.1
123.08073	1.6
123.11716	3.3
124.03977	1.1
124.07574	1.7
125.06005	1.7
125.07116	1.4
125.09651	0.6
126.05518	2.0
127.03937	1.0
128.06203	0.7
128.98608	1.2
131.04958	1.6
131.08548	1.9
133.02843	1.0
133.06491	1.9
133.10124	1.0
134.03712	0.9
135.04428	2.6
135.08038	2.4
136.03983	1.4
136.05222	2.3
136.07561	1.1
137.05992	8.0
137.09619	1.4
138.06778	2.6
138.09129	1.5
139.03877	0.9
139.07571	2.3
139.09485	1.4
141.05441	1.0
144.01143	1.8
145.10144	1.0
147.04379	1.2
147.11656	0.8
148.05206	17.3
148.06300	1.3
149.06003	8.9
149.09634	1.9
150.06793	1.0
151.03879	3.4
151.07581	5.9
151.84306	0.6
152.04723	1.1
153.05484	1.3
153.09135	0.7
154.06277	6.3
154.08525	0.7
157.06465	0.6
158.99651	0.9
159.07964	1.0
159.11731	1.6
161.05966	1.2
161.09607	1.1
162.06775	0.8
163.03964	1.2
163.07603	3.7
163.11186	2.3
164.08347	6.2
165.05542	4.5
165.06801	1.1
165.09140	2.1
166.06274	2.9
167.07045	6.0
168.10243	1.5
169.08655	1.7
170.07242	0.8
175.11157	1.1
177.00671	1.7
177.05473	18.4
177.09039	1.3
177.12727	1.2
179.07036	4.3
179.10706	0.8
180.07835	4.6
180.10219	2.2
181.08611	100.0
181.10455	7.4
187.11195	0.8
190.06187	1.6
191.07024	3.8
192.07823	43.0
193.04990	1.7
193.08524	1.5
195.06526	1.3
195.08231	1.3
195.10167	7.3
195.15028	4.0
198.06599	1.0
199.07370	1.0
205.08711	1.0
205.12277	2.5
208.07309	2.7
209.06033	0.7
213.09097	1.5
219.01723	0.9
223.06178	1.0
223.09663	20.1
223.11443	1.7
223.13382	2.5
224.09132	1.3
230.06203	1.0
237.02867	1.2
241.08702	3.2
241.10738	6.1
241.15678	9.3
242.13843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20888	0.2
54.98626	0.3
56.96566	11.0
63.75756	0.2
65.62006	0.1
70.24516	0.6
71.87921	0.1
71.95266	3.3
82.47289	0.1
86.67178	0.2
98.97585	100.0
99.97847	0.1
116.98622	41.4
134.99660	9.2
140.00201	0.7
153.00694	0.5
158.01265	0.4
168.56287	0.2
168.97888	0.2
174.97610	0.2
192.75037	0.2
198.99123	0.2
216.98624	0.3
228.02512	0.2
234.99812	0.6
240.98653	2.2
258.99768	27.3
259.99988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0861
Annotation	2',4'-Dihydroxychalcone
Peak:m/z	Relative Intensity
53.03941	1.2
55.01869	0.6
55.05509	1.4
56.96564	1.5
57.03437	1.5
57.07066	0.7
67.05503	1.6
68.99785	2.3
69.03429	0.7
69.07076	1.1
69.69483	2.9
71.04993	0.7
75.56628	0.4
79.05505	4.2
81.03422	6.1
81.07051	1.8
83.08614	0.7
85.06577	0.5
88.69785	0.5
91.05485	3.6
93.07051	1.8
95.04984	0.7
95.08604	1.7
96.02127	0.8
97.06579	0.4
98.20770	0.5
98.97571	1.3
103.05478	24.6
105.03384	0.8
105.07025	1.4
107.04974	4.6
107.08595	1.1
109.10139	0.7
111.04446	1.2
116.98657	0.8
117.03373	2.0
117.07063	0.6
119.08597	0.5
121.10126	1.5
128.06218	0.7
129.07014	1.3
131.04939	36.7
131.08586	1.0
134.99641	0.4
135.04407	3.4
137.02347	82.4
139.11205	0.8
142.07761	0.6
143.08549	2.5
145.10126	1.1
147.11674	0.6
152.06209	1.3
153.07014	1.7
155.03439	1.3
155.04926	3.6
155.08582	2.6
157.06448	0.9
157.10133	1.9
158.99507	0.5
159.11787	0.9
161.13243	0.5
163.03932	7.3
165.07018	1.9
166.07687	0.5
167.08595	3.4
168.05780	0.5
169.06461	0.7
170.07231	0.7
171.08008	2.6
171.11729	1.5
172.05191	0.5
176.06392	0.6
177.07008	1.0
178.07759	1.0
181.06488	1.2
182.07205	0.5
183.04424	6.1
183.11661	0.7
185.06117	0.8
185.09648	0.8
185.13280	1.8
195.08067	9.3
195.11864	0.5
198.06761	7.1
199.07533	1.8
199.14792	0.6
211.03888	2.0
213.05557	0.9
213.09068	2.7
221.91765	0.4
223.07613	5.6
226.06277	18.4
226.55083	0.6
241.05139	5.0
241.08612	100.0
241.15720	1.8
241.19508	4.0
242.08925	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60447	0.9
66.60713	0.8
70.97177	2.0
72.08147	5.1
74.20333	0.9
81.52393	0.9
90.15170	0.9
151.07309	1.5
158.11784	8.0
195.06229	5.4
222.11038	1.6
240.12076	100.0
241.12459	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	239.1392
Annotation	secobarbital
Peak:m/z	Relative Intensity
56.96551	0.9
65.44743	0.4
69.40536	0.3
70.32072	1.3
71.04991	2.0
73.02948	0.3
82.06564	0.5
84.08150	0.7
92.42487	0.4
98.97575	1.2
109.02814	0.4
109.07644	6.6
116.07088	0.4
116.98647	0.7
121.07637	41.1
122.08391	1.0
122.71404	0.4
123.09187	0.4
129.59387	0.4
135.09166	1.5
140.13315	0.4
146.99773	0.4
149.07146	0.4
150.07948	0.5
161.10759	2.3
162.09073	0.5
163.08705	2.0
179.11807	51.9
180.12228	0.6
193.10603	0.8
193.13411	1.3
221.12865	37.2
222.13216	0.8
239.13921	100.0
240.14218	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01875	5.5
55.05515	8.8
57.07077	5.1
59.04995	1.6
62.75859	0.8
67.05511	10.4
69.03438	1.3
69.07071	20.8
70.59520	2.6
71.05000	6.7
71.08640	1.2
75.24901	0.8
79.05514	4.7
81.07063	25.0
83.04983	1.6
83.08636	8.7
85.06544	2.1
91.05473	4.3
93.07049	8.2
95.04961	2.5
95.08611	21.3
97.06529	7.4
97.10163	3.2
99.08081	1.9
105.07043	14.0
107.08594	14.5
109.06523	5.9
109.10165	20.8
111.08076	1.1
111.11710	2.0
113.09655	10.5
115.05531	1.2
119.08611	7.5
121.10146	6.5
123.08076	2.7
123.11719	26.7
125.09626	7.6
131.08572	1.4
133.10143	6.6
135.11697	6.8
137.09628	7.3
137.13242	5.8
139.11188	1.3
147.11705	16.2
147.88535	0.8
149.13237	6.7
149.33136	0.9
151.11208	6.8
151.12273	1.3
151.14825	1.1
152.12016	4.0
155.08595	1.0
161.05992	0.9
161.09637	0.9
161.13260	6.8
163.14815	5.1
165.07014	1.6
165.12688	0.9
169.10155	1.6
171.40996	0.9
175.14838	1.4
177.16431	2.6
179.14229	1.0
179.17941	2.4
183.11720	1.5
193.15898	1.1
193.19548	2.2
196.16435	0.9
197.13202	0.9
203.17969	16.9
204.03690	1.1
221.19017	100.0
222.19447	1.9
239.03392	1.2
239.06943	1.9
239.08836	5.4
239.10974	1.4
239.14400	1.9
239.17944	3.4
239.20102	7.8
251.99338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0704
Annotation	2-Isopropenyl naphtho[2,3-b]furan-4,9-quinone
Peak:m/z	Relative Intensity
52.29728	0.4
55.05552	0.7
56.96630	2.3
57.03465	0.5
57.07129	0.8
67.05573	1.4
68.99863	2.7
69.07075	2.1
69.68409	2.1
71.00883	0.3
71.05054	1.2
74.09797	0.4
79.05553	0.8
81.03436	0.4
81.07064	3.0
83.08643	0.8
91.05544	1.0
93.07118	1.8
95.05029	0.4
95.08622	2.3
97.06593	0.3
97.10246	0.4
99.04420	1.8
103.05550	0.5
105.07021	2.1
107.05045	0.5
107.08689	1.6
109.06602	1.6
109.10220	1.4
115.05519	1.2
117.07039	0.4
119.08656	1.4
120.70441	0.4
121.10184	0.6
123.08067	0.7
123.11751	0.9
127.05540	0.7
129.07042	0.5
133.10208	0.6
135.11726	0.5
137.05991	0.7
137.09651	0.4
140.54262	0.3
141.07013	0.7
141.09152	1.0
143.08575	0.9
143.47984	0.5
147.11702	0.8
151.03979	0.9
151.11221	0.5
152.06265	0.7
153.07025	0.8
155.04918	21.9
155.08517	2.1
157.65904	0.5
161.05998	0.5
161.13335	0.7
163.14911	0.9
164.51781	0.5
165.05820	0.6
165.06999	2.7
166.07794	0.5
167.08621	0.5
168.05751	1.0
169.06520	0.8
169.10124	0.7
170.51596	0.4
171.11717	0.8
178.06271	0.6
178.51408	1.2
179.01773	0.9
179.04929	1.2
181.05026	0.8
181.10263	0.5
183.08093	0.4
183.11760	1.1
186.02586	1.3
187.01595	0.5
187.52008	0.8
188.02371	0.6
193.01599	0.7
193.06477	1.0
193.51929	0.4
194.02330	0.5
195.03093	0.6
196.05205	48.7
197.05505	0.7
197.13275	1.2
200.02266	1.7
200.52644	1.4
201.02820	0.4
202.02007	0.8
203.17998	0.5
204.25975	0.4
207.03000	0.5
209.02815	1.3
209.53139	1.1
211.07549	100.0
211.53180	0.4
212.03506	0.4
212.07924	2.0
216.03629	7.6
221.18979	0.6
225.04158	4.8
227.54445	1.3
239.06984	45.7
239.08937	5.4
239.18120	2.7
239.19998	0.6
240.07251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1075
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
55.01882	1.1
55.05524	1.6
56.05038	0.6
56.10732	0.4
56.96571	5.9
57.03437	0.8
65.03969	0.5
67.05511	1.2
68.05034	0.7
69.03442	2.0
69.07084	1.6
69.20763	3.8
70.06591	2.3
71.04975	0.7
72.08167	1.2
73.02909	1.1
79.05515	3.3
81.03423	0.8
81.07069	0.6
82.06594	0.8
83.05000	3.6
84.04529	0.6
84.08158	2.4
84.96069	0.5
85.02908	2.1
85.06551	0.7
86.09715	0.8
87.04476	1.1
88.04001	0.5
90.05571	0.9
91.05492	4.4
93.07031	0.8
94.71652	0.5
95.05003	1.0
96.04474	0.8
97.02911	2.2
98.97604	4.3
103.05483	7.3
104.05770	0.5
105.03418	0.7
105.07040	15.1
105.07764	0.7
105.59255	0.4
106.06573	2.2
107.04955	4.5
108.08098	0.5
109.02847	0.5
109.07667	0.6
110.06085	2.2
111.04454	4.7
112.07635	0.6
112.99149	0.7
114.05533	0.8
116.07043	0.5
116.98644	1.8
117.05772	2.0
118.06544	8.1
119.07336	12.3
119.08589	1.3
120.08119	15.5
121.06601	1.0
121.07647	2.0
121.08455	7.7
122.05974	0.5
124.03975	1.6
124.07597	0.6
127.04018	0.5
128.06226	1.5
128.07083	7.4
128.98650	0.6
129.07014	6.9
129.07912	0.8
129.10246	1.0
130.06554	1.2
131.04918	2.7
131.07332	2.3
131.40446	0.5
132.08083	2.8
134.99660	0.9
135.04443	1.6
136.07584	1.4
141.10237	0.8
143.00183	0.5
144.08096	1.3
146.09660	94.1
147.09999	0.9
149.01303	1.0
150.09129	1.0
151.08705	0.9
158.99683	0.7
160.07628	0.9
161.01262	0.5
161.10739	0.5
163.02844	0.6
164.07011	0.6
164.10683	2.6
166.08629	0.9
172.95267	0.5
174.09201	0.5
178.08624	1.7
179.07077	1.2
179.11813	2.1
189.32004	0.6
192.10207	100.0
193.10489	1.2
194.15128	0.5
210.11195	0.7
215.02217	0.9
215.05026	0.6
220.09679	3.0
221.12903	1.7
236.66505	0.4
238.06952	0.5
238.10698	10.5
238.14490	1.1
239.08876	1.9
239.13916	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	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.05507	14.0
56.93712	2.3
57.07063	8.0
67.05510	12.5
69.03437	5.6
69.07077	25.2
69.87766	9.3
71.04990	7.7
71.08628	2.9
71.99946	2.6
79.05503	15.2
81.07059	30.8
83.04986	3.3
83.08614	8.2
85.06544	6.3
91.05486	8.8
93.07056	32.0
95.04980	3.9
95.08604	21.3
97.06513	6.2
97.10182	4.6
99.04462	6.6
105.07043	38.3
107.08596	53.8
109.06515	2.7
109.10175	27.2
111.04472	2.7
111.08078	3.9
111.11768	3.6
117.06987	5.7
119.08588	28.6
121.06522	4.3
121.10155	39.7
123.08058	6.7
123.11707	12.7
125.05980	2.9
125.09613	3.2
130.07742	2.6
131.08556	9.8
133.10135	13.0
135.08055	2.8
135.11702	22.7
137.09628	7.6
137.13248	4.2
139.11198	3.1
145.10143	32.9
147.11705	22.3
149.09648	7.6
149.13246	14.2
151.11179	9.6
159.11717	32.0
161.13251	20.2
163.11212	18.5
163.14806	3.5
165.07043	2.5
165.12743	5.6
166.07794	4.2
167.10719	2.5
173.13219	7.1
175.14806	7.0
177.12752	42.8
177.16322	4.6
179.14349	4.3
191.17940	7.4
195.88821	2.4
201.16417	19.7
203.17982	5.1
207.17441	31.5
219.17453	100.0
237.09119	5.5
237.18509	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	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.05510	10.2
56.96552	2.9
57.03432	4.6
57.07065	6.6
59.18356	1.8
67.05502	11.9
69.03442	15.3
69.07072	17.8
70.13806	7.3
71.05004	11.6
79.05484	6.2
81.07060	29.3
83.04993	2.9
83.08614	5.1
85.06528	3.7
91.05482	8.7
93.07056	27.0
95.04955	5.0
95.08613	18.5
97.06536	10.4
99.04479	2.9
99.08089	4.4
105.07027	22.7
107.08591	42.4
107.57825	1.8
109.06525	7.9
109.10156	17.0
111.08076	2.8
112.52746	1.8
114.55933	2.1
117.07010	3.8
119.08588	16.0
121.06464	2.8
121.10157	32.6
123.08084	4.9
123.11731	11.6
125.09666	3.4
127.11206	7.7
131.08537	5.9
133.10130	13.3
135.08092	2.9
135.11694	15.4
137.13293	2.5
139.11150	9.0
145.10109	18.8
147.11713	11.7
149.09615	4.6
149.13271	14.1
151.11195	100.0
159.11711	18.4
161.13292	7.7
163.11186	6.7
163.14809	3.7
165.12805	2.8
173.13364	2.3
176.12083	1.9
177.12769	32.3
177.16444	2.9
179.14372	3.0
181.12352	2.3
191.14290	2.5
191.17964	5.2
201.16409	12.1
207.17445	35.2
219.17445	73.9
237.18510	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
55.05510	8.6
56.96558	3.5
57.07068	4.1
58.72510	1.5
59.05003	2.0
67.05511	12.8
69.03426	6.0
69.06720	2.5
69.07071	41.0
69.95134	8.3
71.04981	9.1
71.08626	2.4
79.05474	7.8
81.07061	20.6
83.04974	5.1
83.08598	7.0
85.06514	3.0
88.16601	1.9
91.05481	10.1
93.07047	26.5
95.08612	28.7
97.06524	6.7
97.10189	3.1
99.08105	2.6
105.07043	15.3
107.08586	34.3
109.06503	8.8
109.10162	25.7
111.04448	2.9
111.08067	4.1
111.11694	9.4
112.00709	1.6
117.07021	1.8
119.08583	14.2
121.06503	9.1
121.10148	20.8
123.08085	4.1
123.11683	6.5
125.05991	3.2
125.09631	2.7
131.08589	4.2
133.10130	6.9
135.08061	13.9
135.11702	17.6
137.13168	2.2
145.10112	13.6
147.11710	5.1
147.76779	1.8
149.09618	3.1
149.13235	5.8
151.11177	5.1
153.12773	2.2
159.11693	13.6
160.38834	1.7
161.13231	7.9
163.11206	11.3
173.03630	2.9
173.13396	1.7
175.14854	6.8
177.12767	2.4
177.16385	5.4
179.14314	9.3
181.12256	4.1
191.17955	10.5
199.69736	1.7
201.16376	11.3
209.19020	2.6
219.17455	29.5
225.08461	2.8
237.18503	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	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
52.95720	2.8
52.98681	2.9
53.03949	5.1
55.05518	23.2
56.96565	5.4
57.07088	6.7
65.00447	2.8
67.05505	22.5
69.03428	3.5
69.07080	36.8
69.55860	21.1
69.92617	3.1
71.05003	21.3
71.08638	4.5
77.18611	3.3
79.05509	23.7
81.06577	4.3
81.07062	86.8
83.04961	3.7
83.08627	12.7
85.06547	9.6
91.05494	18.9
91.05990	3.3
93.07056	50.4
95.04967	8.2
95.08607	59.2
97.06522	17.9
97.10154	4.3
99.04451	15.2
99.08125	4.9
105.07026	35.1
107.04948	5.0
107.08610	65.3
109.06531	13.1
109.10144	35.2
111.08082	9.2
117.07041	7.7
119.08585	34.1
121.06496	5.6
121.10146	60.2
123.08067	3.8
123.11719	8.6
125.06004	10.5
125.09623	6.2
131.08615	15.6
133.10153	26.7
135.08086	5.2
135.11703	44.1
137.09593	5.7
137.13310	5.7
139.11186	14.0
145.10117	42.9
147.11702	17.5
149.09630	9.4
149.13235	9.1
151.11208	12.8
153.07059	3.5
153.09076	4.3
157.10156	3.8
159.11684	48.5
161.13293	19.0
163.11244	18.5
163.14795	13.0
173.13318	6.4
175.14821	13.3
177.12730	21.8
177.16386	7.5
179.00017	6.6
179.14380	5.6
185.51318	3.0
188.00517	14.9
191.14369	5.0
191.17961	27.3
191.55467	3.0
193.10062	3.2
195.11819	3.5
201.16379	40.3
219.13969	4.1
219.17462	100.0
237.16560	3.6
237.18544	59.9
237.22134	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	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
54.34858	3.4
55.05514	21.9
57.07059	15.6
59.05003	5.9
63.77667	3.5
67.05506	40.3
69.03424	8.2
69.07072	40.7
69.43474	8.1
69.43881	19.4
71.04989	17.0
74.12778	3.5
79.05503	22.5
81.06650	4.7
81.07066	72.0
83.04979	4.4
83.08608	14.6
85.06560	20.0
91.05486	19.9
93.07052	55.9
95.04974	7.8
95.08620	65.1
97.06537	11.9
97.10181	8.1
99.04433	4.9
105.07050	37.7
107.08598	82.2
109.06506	12.0
109.09463	4.4
109.10166	69.3
111.08095	8.4
111.11699	4.6
113.05981	7.7
113.42490	3.6
117.07037	9.1
119.08589	25.5
121.10149	80.6
123.08102	6.4
123.11694	20.1
125.09597	4.3
131.08556	12.6
133.10110	20.4
135.11705	32.9
137.09642	4.6
137.13242	7.6
139.11191	13.4
144.09299	4.1
145.10118	52.0
147.11716	17.2
149.13228	16.7
151.11150	18.7
159.11703	52.2
161.13290	20.1
163.11201	20.6
163.14838	9.1
173.13225	6.4
175.14777	9.2
177.12735	19.7
177.16364	9.5
179.14328	9.4
181.12315	3.8
191.17928	16.5
193.15938	3.7
195.17500	5.2
201.16351	45.6
207.17438	14.3
219.17482	73.3
231.96854	3.7
237.09225	5.1
237.18501	100.0
242.37328	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	237.185
Annotation	Atlantolone
Peak:m/z	Relative Intensity
55.05517	9.8
56.28034	1.2
57.07064	4.9
59.04998	2.8
65.61769	1.3
67.05507	11.1
69.03415	3.9
69.06719	2.3
69.07071	37.2
69.72712	3.8
69.73116	5.4
71.04993	4.1
71.54475	1.5
79.05497	11.3
81.07058	22.7
83.04980	7.2
83.08608	6.0
85.06551	1.4
85.89555	1.5
91.05489	7.2
92.07948	1.4
93.07057	26.3
95.04980	1.6
95.08612	25.4
95.09174	2.8
97.06544	9.9
97.10184	2.4
98.20717	1.6
99.04424	2.2
105.07030	15.3
107.08603	61.0
109.06527	6.9
109.10160	28.5
111.08072	6.5
111.11727	9.9
115.19309	1.5
119.08592	13.8
121.06506	5.4
121.10147	26.9
123.08105	3.4
123.11706	6.0
125.06021	3.0
125.09655	2.6
131.08574	3.3
133.10167	8.2
135.08070	7.0
135.11699	22.8
137.09587	3.4
139.11148	2.1
145.10123	14.9
147.11665	5.2
149.09619	4.8
149.13271	3.0
151.11179	3.7
153.09077	1.9
153.12741	1.6
159.11713	13.1
161.13260	13.1
163.11215	29.2
163.14856	10.4
175.14853	5.6
177.12700	4.4
177.16351	3.9
179.14299	4.7
181.12227	9.5
191.17960	7.2
201.16415	19.4
219.17450	32.2
237.18503	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	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.65866	1.4
55.05516	14.0
57.03435	1.8
57.07090	8.0
59.04994	1.8
62.03305	1.5
67.05499	12.4
69.03426	4.9
69.07070	21.3
70.16410	6.3
71.04982	4.3
71.08636	2.5
78.00900	1.5
79.05483	12.0
81.07063	63.6
83.04998	3.5
83.08624	8.0
85.02896	6.1
85.06551	3.4
90.35580	1.7
91.05476	9.2
93.07053	45.9
95.04978	2.3
95.08042	2.8
95.08615	40.4
97.06529	11.4
97.10172	3.9
105.07034	23.1
107.04932	2.7
107.08603	51.2
108.31493	1.8
109.06499	4.8
109.10163	27.8
111.08076	2.4
117.07008	4.9
119.08588	20.2
121.06496	4.2
121.09310	2.8
121.10146	37.7
123.08074	4.8
123.11732	10.7
125.09644	3.9
131.08583	4.8
133.10120	10.6
135.08061	3.0
135.11714	31.9
137.13258	15.2
139.07523	2.9
145.10133	15.2
147.11729	12.2
149.09615	4.5
149.13249	9.0
153.09087	2.7
159.11696	29.0
161.13271	19.2
163.11221	19.9
163.14867	9.4
165.12764	5.8
167.10663	2.5
173.13228	2.4
175.14861	7.8
177.12767	9.1
177.16415	17.8
179.14323	2.8
181.12253	4.0
191.14301	5.1
191.17947	25.1
193.15729	1.8
201.16374	28.6
219.17447	71.5
237.18510	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	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.05522	2.4
61.83366	2.7
67.05493	6.7
69.07072	5.9
69.69022	15.0
71.04996	100.0
72.68879	2.4
78.51981	2.7
79.05470	2.9
81.07070	13.5
89.06035	25.5
89.46951	2.8
91.05453	2.9
93.07047	20.4
95.08608	5.0
105.07037	15.4
107.08596	10.0
109.10132	11.6
117.23971	3.1
119.08548	7.7
121.10136	8.9
126.96841	3.0
127.11201	17.5
131.63084	2.9
133.10118	2.7
142.58217	2.6
145.10124	15.1
147.11688	30.4
149.13281	52.7
149.14468	2.1
159.11668	4.0
201.16394	6.4
207.14075	3.0
211.59006	2.6
219.17462	34.1
237.18472	10.8
237.41701	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	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.34638	1.8
53.03938	3.9
55.05516	9.7
57.07055	2.4
59.04988	6.9
61.02929	2.6
67.05505	9.8
69.07066	17.4
69.75130	10.0
71.04980	7.0
79.05502	18.4
80.16378	1.8
81.07059	57.6
83.08617	3.2
85.06547	9.4
88.34575	2.0
91.05493	10.8
93.07050	48.3
93.98544	1.8
95.08047	3.1
95.08607	40.3
97.06517	8.3
97.10141	3.6
105.07032	34.8
107.08608	28.8
109.06481	3.2
109.10169	14.7
111.08088	8.3
111.11725	3.0
117.06992	2.9
119.08581	48.3
121.10146	100.0
123.08044	5.0
123.11737	2.8
125.09599	7.9
127.38969	1.8
129.07083	2.1
131.08546	7.4
133.10143	16.3
135.11708	28.8
137.09604	2.6
139.11191	23.3
145.10117	16.3
147.11710	3.6
149.13327	4.5
159.11693	29.8
161.11967	3.5
161.13268	60.7
163.11206	4.9
173.13226	5.5
175.14793	4.2
177.12840	2.5
177.16426	12.3
179.14323	2.6
181.52631	1.8
191.17943	5.6
201.16397	41.7
219.17461	23.8
237.18526	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	237.1849
Annotation	Atlantolone
Peak:m/z	Relative Intensity
51.07120	2.2
53.03954	2.4
53.74275	2.2
55.05506	10.0
55.36608	2.4
56.52290	2.3
56.96567	3.5
57.07072	5.9
59.05019	2.7
60.93201	2.0
67.05500	10.9
67.57252	2.2
69.03455	4.2
69.07070	19.8
70.02529	10.4
71.04997	35.2
76.55024	2.4
76.68056	3.0
79.05490	7.4
81.07061	27.5
83.04982	7.8
83.08608	9.1
83.15188	2.4
85.06538	7.7
91.05474	7.6
93.07042	24.0
95.04944	2.3
95.08608	32.5
97.06545	4.8
97.10168	2.9
98.20814	2.8
99.04468	14.1
101.06035	5.5
105.07030	19.8
107.08607	20.9
109.06514	8.2
109.10158	19.9
111.08089	7.1
117.06955	3.2
119.08611	23.3
121.06567	3.3
121.10153	22.4
123.08054	11.2
123.11715	10.7
127.11215	3.2
131.08574	3.4
133.10117	11.6
135.11681	11.4
137.09666	4.3
137.13277	4.8
145.10139	9.8
147.11688	5.3
149.13252	5.9
151.11194	41.1
159.11691	14.9
161.13263	26.1
163.11209	7.2
167.10715	3.5
167.14348	19.8
175.14833	7.9
177.12682	3.3
177.16420	5.7
179.14325	100.0
181.12169	3.9
191.03650	2.5
191.17911	4.6
201.16345	13.8
215.48372	2.2
219.17433	19.5
237.18529	52.7
244.06731	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	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
52.85625	2.1
53.03942	1.9
55.05513	9.3
57.03432	2.2
57.07065	5.0
61.02917	3.0
67.05510	18.6
69.03078	4.2
69.03433	75.6
69.07072	15.4
69.83945	4.8
69.84364	7.0
71.04983	4.6
79.05495	16.4
81.07056	32.3
83.04981	4.9
83.08614	3.9
85.06553	20.7
91.05473	13.2
93.07051	64.1
95.04961	3.6
95.08612	29.8
97.06516	5.2
97.10160	3.9
98.73100	2.7
100.21579	1.9
103.53762	2.0
105.07042	13.3
107.04961	5.4
107.08592	35.3
109.06503	8.2
109.09459	3.2
109.10162	56.0
111.08076	23.6
111.11678	2.2
117.07000	5.7
119.08585	17.2
121.06490	4.9
121.10149	19.9
123.08069	5.5
123.11691	17.8
125.06026	2.8
125.09634	5.8
127.11227	2.4
131.08559	7.9
133.10117	7.5
135.08070	31.3
135.11700	72.8
137.09618	4.4
145.10081	14.2
147.11697	5.8
149.09631	5.2
149.13252	6.2
151.11185	8.1
159.11694	26.5
161.09546	3.5
161.13249	13.4
163.11171	9.4
173.13278	2.7
175.14793	6.0
177.12730	4.3
177.16412	16.7
191.17929	4.0
195.11835	2.7
201.16376	23.5
219.17453	65.4
237.16730	3.7
237.18495	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	235.1695
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
50.37843	1.2
52.34632	1.4
54.39147	1.2
55.05514	6.8
56.96562	1.9
57.07082	9.5
57.19229	1.4
58.61163	1.2
59.05011	8.9
67.05501	7.6
69.03426	3.0
69.07082	8.2
69.23219	14.6
71.04999	6.5
75.39603	1.3
79.05484	8.5
81.07073	14.9
83.04983	3.3
83.08614	2.6
85.06541	8.7
91.05481	7.0
93.07051	17.1
95.04961	2.5
95.08623	18.9
97.06522	6.1
98.20770	2.9
99.04470	9.0
99.08102	1.5
102.80878	1.3
105.06377	2.0
105.07040	23.2
107.04883	1.4
107.08585	13.7
109.06522	5.0
109.10157	11.1
111.08090	17.8
113.06026	6.8
117.07025	2.5
119.07790	2.5
119.08588	36.6
121.06489	3.7
121.10152	31.1
123.04429	2.0
123.08079	10.7
123.11681	2.0
125.09566	2.1
127.11176	2.7
129.06998	1.4
131.08624	6.4
133.10153	18.8
135.08060	5.4
135.11674	5.7
137.09586	5.2
141.09067	1.6
142.07823	2.7
143.08553	3.7
144.09326	1.5
145.10147	6.2
147.08067	3.4
147.11705	9.8
149.09567	1.9
149.13289	3.0
151.07570	2.2
151.11200	5.4
156.09323	3.1
157.10152	11.2
159.11697	12.5
161.09608	9.8
161.13274	4.1
163.11102	3.9
171.11760	6.5
173.13322	7.5
175.11214	14.7
175.14810	25.1
176.04341	1.4
177.12753	7.0
179.10631	5.0
187.73878	1.3
189.12764	17.6
189.16365	9.1
193.15849	3.4
199.14801	9.3
205.12320	2.1
207.13770	1.9
217.12442	2.5
217.15892	32.7
220.12369	1.5
235.13513	6.9
235.16939	100.0
236.17339	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	235.1693
Annotation	Rishitinol
Peak:m/z	Relative Intensity
55.01871	5.8
55.05501	12.0
57.07072	8.9
61.02919	8.6
67.05500	26.8
69.07073	26.5
71.04993	24.4
79.05502	15.1
81.07059	58.9
81.21884	3.0
83.04986	3.3
83.08603	6.1
85.06529	8.8
87.76561	3.2
91.05484	25.1
93.07043	36.2
95.04955	4.5
95.08611	30.6
97.06525	4.8
99.04454	5.8
105.06371	6.1
105.07035	71.1
107.08595	61.3
109.06525	23.9
109.10166	31.7
111.08104	6.5
117.07010	9.8
119.08591	79.9
121.06527	5.7
121.10131	23.4
123.08074	11.0
123.11777	4.8
129.07024	8.0
131.08560	29.3
133.06523	5.5
133.10152	42.5
135.08072	4.3
135.11702	9.4
137.09619	17.1
139.99167	3.2
142.07787	13.2
143.08548	26.9
144.09340	7.1
145.10147	16.6
147.08104	4.7
147.11676	27.5
149.09590	5.0
149.13274	4.0
155.08464	3.1
156.09326	9.5
157.10144	54.2
159.11713	61.9
161.09607	16.0
161.13254	8.3
165.12744	12.2
170.10899	4.0
171.11682	26.2
173.13248	24.5
175.11246	16.7
175.14845	100.0
177.12796	15.0
179.10677	6.4
184.12560	4.3
189.16394	24.6
191.14264	5.3
193.15889	8.3
199.14853	60.6
203.94365	3.1
217.15904	89.3
235.16948	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	Rishitinol
Peak:m/z	Relative Intensity
53.03943	2.4
55.01861	5.8
55.05509	14.1
56.20320	1.9
56.96554	4.2
57.06862	1.9
57.07084	19.8
59.05003	4.1
61.02917	4.4
64.73959	1.8
67.05508	26.1
69.03410	8.5
69.07079	27.7
69.54228	14.0
71.04993	21.1
75.71410	1.9
79.05495	21.2
81.07063	57.3
83.04972	13.4
83.08595	6.9
83.17914	1.8
84.45493	2.0
85.06525	8.0
91.05480	29.5
93.07050	41.1
95.04940	6.5
95.08617	37.7
97.06525	9.0
97.10168	2.7
98.21521	2.1
98.97572	4.3
99.04447	2.5
99.08070	3.0
100.34438	1.8
103.05441	2.4
105.06382	4.1
105.07032	52.7
107.04974	3.7
107.08597	51.8
109.06527	24.3
109.10155	38.5
111.04442	2.6
111.08067	4.9
115.05486	2.0
117.07004	8.8
119.04919	2.5
119.08585	68.0
121.06517	9.6
121.10161	26.8
121.11006	3.3
123.04438	3.3
123.08054	13.4
123.11714	5.4
125.09613	4.0
127.07550	2.6
128.06190	3.4
129.06967	7.9
131.08560	24.6
133.10124	53.1
135.08035	8.7
135.11679	11.0
137.09612	14.8
142.07771	9.8
143.08565	14.7
144.09384	4.6
145.06516	2.1
145.10129	11.4
147.08066	5.0
147.11691	24.9
149.09610	7.6
149.13229	5.9
151.07492	2.7
151.11165	5.7
156.09325	8.5
157.10141	47.4
159.11702	48.5
161.09625	16.5
161.13252	7.0
163.11200	3.3
165.12759	6.8
170.10837	3.4
171.11700	19.4
173.13289	21.8
175.11250	17.9
175.14825	77.5
177.12723	10.8
179.10654	14.2
184.12453	2.9
189.12738	5.0
189.16397	17.2
191.14326	4.8
193.12183	2.6
193.15863	3.4
199.14819	47.0
207.17477	4.0
217.15880	66.2
235.07674	3.2
235.09561	2.2
235.16933	100.0
235.20700	6.1
236.17348	2.7
251.43623	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	235.1695
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
54.06921	1.3
55.01857	1.7
55.05524	7.4
57.03436	2.5
57.07077	7.4
59.05002	4.3
67.05509	14.2
69.06732	1.4
69.07076	24.9
69.89922	8.2
71.05004	13.6
73.06551	3.1
79.05492	14.3
81.06635	2.1
81.07069	23.6
83.04999	9.4
83.08627	3.0
85.06536	5.9
91.05477	18.6
93.07053	27.9
95.04972	5.4
95.08614	15.2
97.06555	7.4
99.04449	1.5
99.08112	2.3
103.05425	1.7
105.06389	2.6
105.07040	34.9
107.04957	6.6
107.07941	2.4
107.08599	22.9
109.06509	4.8
109.10165	16.7
111.08032	1.8
115.05453	2.8
117.07012	17.4
119.08591	28.5
121.06509	10.2
121.10146	13.9
123.08046	4.9
123.11712	1.9
125.09621	2.4
129.07013	3.7
131.08603	12.0
133.06520	11.7
133.10150	22.8
135.08043	5.3
135.11691	4.7
137.09639	3.9
142.07759	2.2
143.08591	4.5
145.10132	4.7
147.08076	4.5
147.11691	10.1
149.09634	3.0
149.13280	12.4
151.11119	2.6
157.10172	9.3
159.11719	17.4
161.09624	6.2
161.13345	1.7
172.76546	1.5
173.13286	4.5
175.11250	10.7
175.14832	10.4
177.12753	32.0
179.10719	6.5
189.16417	15.6
191.14377	6.9
193.12196	3.0
193.15910	9.1
199.14827	5.3
217.15912	18.3
235.16945	100.0
236.17239	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	235.1329
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
50.16207	0.9
53.03939	3.5
55.01864	3.0
55.05514	4.8
56.96574	1.8
57.03445	1.0
57.07082	3.2
63.71788	0.8
65.03938	1.8
67.05515	8.8
69.03426	3.3
69.07055	2.9
69.41991	0.9
71.01820	2.1
71.02154	1.2
71.04988	2.5
73.02928	1.0
77.03918	1.7
79.05055	1.8
79.05501	28.4
81.03423	1.1
81.07062	42.0
83.05003	5.8
85.06535	2.5
91.04954	1.7
91.05483	18.7
93.07053	38.8
95.04974	11.7
95.08591	8.5
97.06538	12.5
98.97591	5.6
99.04449	5.2
103.05477	1.1
105.04544	1.0
105.07037	26.2
107.04973	9.5
107.08598	12.5
109.06529	30.4
109.10203	2.2
111.08041	1.2
115.05451	2.2
116.98612	2.0
117.07011	4.0
119.04926	1.7
119.08584	18.7
121.06516	100.0
121.10165	1.6
123.04414	4.4
123.08068	4.4
125.06010	1.9
127.07598	7.9
128.06192	4.8
129.07014	6.0
131.08578	6.6
133.06511	5.5
133.10150	7.4
135.04408	5.9
135.08061	8.2
137.05981	6.5
137.09627	1.1
139.07573	4.7
141.07001	2.6
142.07809	7.6
143.08566	10.5
145.06487	1.4
145.10126	5.5
147.08086	3.5
147.11687	14.6
149.09610	1.5
151.79518	0.9
153.06837	1.0
155.08543	1.8
156.09351	5.1
157.10136	15.8
159.11761	1.5
160.08865	1.0
161.06012	2.5
161.09621	2.9
161.13271	5.2
165.07002	2.2
165.12714	2.6
166.07744	4.6
166.33183	0.9
171.08122	1.3
171.11703	17.0
173.09599	1.4
173.13231	1.8
175.07581	1.6
175.11201	25.5
179.10727	2.4
181.10123	6.5
184.08855	1.9
189.12752	19.1
191.10616	1.0
191.14319	1.2
199.11195	26.2
207.13794	1.5
214.08478	1.2
217.12256	43.6
217.15669	1.9
218.12701	1.2
235.13309	25.2
235.16873	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	235.1693
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
52.79244	1.2
55.01874	3.0
55.05522	8.8
55.05734	1.8
56.96568	2.2
57.07084	15.3
57.32738	1.4
59.05004	2.0
65.69737	1.3
65.82220	1.3
67.05514	12.3
68.05506	1.2
69.03429	5.1
69.07073	12.3
69.82816	5.9
71.04993	2.4
79.05496	10.4
81.07054	17.8
83.04980	4.7
83.08607	5.5
85.06536	3.8
91.05489	18.7
92.82318	1.4
93.07044	19.6
95.04979	8.7
95.08613	20.9
97.06526	4.4
97.10174	2.2
104.07162	1.4
105.07038	30.4
105.07751	1.5
107.04950	1.5
107.08602	30.9
107.34270	1.3
109.06541	9.3
109.10162	12.2
111.08056	4.0
115.05465	1.5
117.07018	5.9
119.08591	91.8
121.06525	3.2
121.10162	15.0
123.08074	5.2
123.11710	4.0
125.09693	2.1
128.06250	1.9
129.07010	4.2
131.00134	1.8
131.08580	13.5
133.06523	2.7
133.10138	51.2
135.08070	17.7
135.11664	7.4
137.09616	9.1
142.07780	5.4
143.08554	10.4
145.10155	15.2
146.07339	2.1
147.08055	5.7
147.11710	21.3
149.09616	5.2
149.13290	3.6
151.11180	9.8
156.09349	4.3
157.10120	15.0
158.10968	2.7
159.11719	14.2
160.08876	2.7
161.09637	32.4
161.13277	5.9
169.10118	1.7
170.10944	2.0
171.11707	8.5
173.13271	20.8
175.11224	14.2
175.14838	20.8
177.12741	6.5
179.10687	15.1
184.12474	2.7
187.11279	2.9
187.14819	4.5
189.12761	2.0
189.16409	20.8
191.14299	3.6
193.15860	3.2
199.14867	13.0
202.13467	1.9
206.49217	1.4
217.15901	100.0
218.16057	1.7
235.16949	85.3
235.20663	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	235.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22725	1.4
52.48384	1.7
53.03939	1.7
55.01871	2.2
55.05499	3.4
56.96576	13.3
57.03436	3.9
57.07077	29.3
59.05011	9.5
59.05241	1.8
60.04514	2.3
60.05324	5.0
65.03938	2.2
67.05486	3.6
69.03416	4.6
69.07064	4.0
70.01411	1.6
70.02927	2.1
70.48972	3.8
70.49329	3.4
71.04955	2.4
72.08133	4.3
72.93727	1.8
73.02905	2.8
74.02095	1.9
74.02448	25.9
74.52344	1.8
79.01317	1.7
79.05518	8.5
79.99678	1.9
81.03424	4.1
81.07061	4.6
83.04988	2.2
84.08128	5.2
85.02902	4.1
88.03973	3.0
89.03879	1.9
91.05472	13.8
92.05007	2.5
93.07015	4.8
95.04978	2.2
95.08591	4.3
97.02858	2.6
97.06538	3.5
98.97598	13.4
102.05554	5.3
103.05937	3.9
105.07030	5.8
106.06558	24.4
107.04964	5.0
107.06020	2.2
107.08569	2.8
108.04456	3.0
110.07196	2.5
111.04433	1.9
112.99133	9.8
113.96359	1.7
115.05445	6.9
116.04972	14.0
116.98632	7.1
117.05798	2.6
117.07030	2.9
118.06531	7.9
119.08573	6.7
120.04459	4.7
120.08107	12.7
121.02877	2.2
121.03709	1.6
122.99553	1.9
123.04399	5.9
126.06325	2.1
128.02228	1.9
128.06207	2.3
129.06999	5.0
130.06490	7.5
131.00159	9.9
131.08618	3.1
132.95920	1.7
133.06500	5.0
133.07599	8.1
133.10109	7.0
134.06024	55.3
135.05511	8.0
136.06189	5.8
137.05899	2.5
143.04910	5.7
143.06024	23.5
143.08543	1.9
144.04460	18.9
144.05540	2.4
144.08063	3.2
145.06558	3.2
145.07610	9.8
146.06030	21.7
147.04362	4.6
147.05460	3.7
147.08022	3.3
147.11755	3.7
148.03938	4.1
148.06241	2.1
149.01218	5.7
149.06036	2.4
155.06061	14.0
156.06773	10.4
157.06413	2.5
158.99597	3.4
159.11685	2.0
161.05952	7.8
161.07121	62.4
162.05511	86.6
163.03934	1.8
163.05037	18.3
163.08731	2.8
171.04300	3.4
171.05559	29.9
172.04007	10.2
172.06335	8.3
173.05887	3.0
173.07144	24.1
174.05475	6.3
175.07463	2.6
175.08794	3.5
175.11189	2.7
175.14818	2.9
177.00700	3.0
179.08356	1.9
179.10709	20.0
189.06656	100.0
189.09203	3.9
189.12596	2.6
189.62227	1.9
190.05022	5.7
191.08197	5.0
199.05028	15.7
207.07706	15.0
207.11298	2.3
217.06140	43.8
217.09799	4.4
217.15884	3.7
234.99081	3.0
235.07310	51.3
235.09570	2.6
235.10789	10.0
235.13686	14.2
235.16911	66.9
258.27484	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	235.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.01874	1.6
55.05515	2.3
56.05037	0.4
56.96567	75.0
57.03175	0.6
57.03441	9.7
57.07076	1.6
58.06602	1.5
58.96137	2.9
59.04995	1.5
60.02179	0.3
60.04514	0.4
60.95842	0.8
61.02630	0.7
61.02930	10.9
61.44432	0.3
65.03939	0.4
66.00547	0.5
67.01854	0.4
67.05502	0.9
68.05010	0.3
68.96555	0.6
69.03432	11.3
69.07071	0.5
70.03762	0.4
70.06595	1.0
70.98114	2.8
71.01353	2.0
71.04990	5.4
71.57626	0.4
71.95270	5.6
72.04510	0.4
72.08144	1.1
72.96046	2.4
73.02917	5.3
73.06538	0.5
74.06053	0.4
74.97609	2.0
75.01061	0.6
75.04465	0.7
77.00815	0.4
79.05486	0.9
80.26577	0.3
81.01022	0.8
81.03416	7.2
81.07056	0.7
82.01820	0.8
82.06589	1.4
82.98119	0.3
83.00773	1.1
83.04986	1.2
83.08612	0.7
84.01583	0.7
84.04517	0.4
84.08127	2.0
84.96037	5.2
85.02907	15.0
85.06545	0.6
86.03217	0.6
86.03687	4.8
86.06080	0.3
86.09719	0.3
86.97605	1.0
87.01000	0.3
87.03989	0.4
87.04472	4.4
87.35871	0.3
88.01810	0.3
88.07624	0.5
88.99159	0.9
89.00800	0.9
89.05981	0.3
90.01546	1.0
91.02339	1.2
91.03956	0.5
91.05486	1.1
92.00266	0.3
92.01276	0.5
92.34612	0.3
93.07014	0.6
94.01783	0.4
94.06576	0.5
95.00768	0.6
95.01324	0.3
95.04939	0.7
95.08649	0.3
96.01574	1.2
97.00505	0.4
97.02325	1.2
97.02892	9.5
97.06534	0.6
97.96813	5.0
97.99185	0.5
98.01318	1.2
98.03205	0.6
98.97587	73.0
99.02119	0.3
99.04462	3.0
99.97906	0.4
99.98746	1.4
100.05260	2.2
100.07663	0.4
100.99146	8.7
101.00844	3.5
101.02403	0.7
102.01543	0.7
102.05537	0.4
102.09165	0.4
102.96936	0.6
103.00643	1.4
103.02347	1.4
104.01284	1.1
104.10731	0.5
105.02068	0.9
105.07018	0.6
106.01079	0.4
106.02847	0.8
107.00163	0.4
107.04939	0.9
108.01535	1.6
109.00498	0.4
109.02305	0.8
109.02906	5.6
109.06534	0.4
110.01287	3.9
110.03127	0.9
110.07136	0.4
110.97581	5.2
111.00252	0.7
111.02058	0.6
111.04433	0.5
112.02862	0.6
112.07608	0.6
112.99137	73.7
113.02361	2.4
113.05996	0.3
113.99438	0.7
114.09181	0.7
115.00684	1.4
115.02381	1.2
115.03938	0.8
115.97845	1.9
116.01296	0.5
116.98630	34.2
117.02058	3.3
117.99747	0.8
118.01059	0.8
118.02825	1.3
118.08662	0.4
119.00191	5.2
119.01869	7.5
119.03697	0.4
119.08529	0.4
120.00772	0.7
120.08113	0.9
121.01660	2.4
121.02907	2.0
121.06532	0.6
122.01253	1.0
122.03298	0.3
123.02034	0.7
124.02823	0.8
124.95461	2.0
124.99120	1.3
125.03551	0.5
126.01724	0.4
126.02543	2.2
126.53098	0.4
127.00651	1.3
127.01532	0.8
127.02446	0.6
127.03962	3.8
128.02301	1.6
128.04283	0.4
128.07074	1.3
128.10696	0.5
128.98611	5.7
129.02126	0.9
129.04005	0.3
130.01045	0.5
130.02823	0.5
130.08669	0.8
131.00175	100.0
132.00677	1.3
132.98099	0.5
133.01709	4.4
133.03369	2.3
133.98834	0.5
134.99658	11.1
135.02065	0.6
135.03154	1.9
135.04153	0.5
136.00899	0.7
136.02826	0.5
136.07484	0.4
136.99162	0.4
137.01051	0.6
137.01935	0.4
137.02864	0.6
137.05940	0.6
137.55135	0.4
138.02571	2.3
139.00562	0.4
139.01517	0.7
139.03329	0.7
140.00180	1.3
140.02325	0.4
140.55096	0.9
140.98546	1.0
141.01254	4.6
141.03015	2.3
141.51460	0.4
141.99382	0.5
142.01779	0.4
142.96521	2.4
143.00163	4.7
143.01863	1.1
143.03589	0.4
144.02455	0.7
144.98093	1.6
145.01709	5.6
145.03450	2.6
145.05014	0.9
146.02264	1.2
146.08128	0.7
146.99632	3.0
147.01366	0.6
147.03162	5.2
147.05006	0.8
147.08089	0.4
148.02037	0.7
148.03874	14.5
148.05070	0.8
148.54086	0.5
149.01228	59.1
150.01768	6.5
150.03616	0.6
150.51971	0.5
150.99117	1.0
151.02602	1.7
151.04520	0.5
152.02309	0.9
152.04128	0.5
152.52184	0.4
152.94908	0.3
153.00726	0.5
153.03081	0.9
154.00493	0.4
154.01808	3.0
154.03835	3.5
154.54002	0.6
155.00171	1.0
155.01712	0.4
155.02818	0.9
155.04630	0.4
156.98090	0.5
157.01591	1.9
157.03423	1.0
157.04529	2.2
158.01215	0.6
158.99673	6.2
159.03255	2.3
159.54614	1.6
160.03847	1.2
160.54041	0.5
160.97569	1.5
161.01215	4.1
161.02721	2.0
161.04645	1.2
161.05760	0.5
161.52594	0.6
162.03578	0.5
162.99089	1.5
163.00615	0.6
163.02750	9.6
163.04333	3.6
164.02242	0.5
164.03470	0.4
165.00696	1.4
165.02031	0.5
165.04279	1.3
167.02280	5.5
167.06955	0.6
168.03558	0.9
168.98065	0.5
169.00244	0.5
169.04443	5.0
170.03334	0.9
170.05087	1.0
170.96024	2.0
170.99619	1.8
171.02995	0.8
171.04236	0.7
172.02802	1.9
172.04866	1.4
172.09691	0.5
172.97559	0.4
173.01210	3.3
173.02881	1.3
173.04625	0.5
174.01866	0.5
174.11272	0.4
174.55252	0.4
174.99316	2.7
175.00769	1.0
175.02795	12.6
175.04445	1.6
175.06076	0.4
176.03365	0.8
176.05121	0.9
177.00726	5.4
177.04189	2.3
177.05673	0.6
178.04951	6.9
178.55136	0.8
178.98581	0.5
179.02246	1.1
179.03807	0.5
179.05681	0.5
179.10641	1.1
180.03572	1.5
181.03818	2.5
181.05353	0.6
182.01569	0.7
182.03305	1.0
182.05133	1.0
182.99632	1.1
183.01878	0.5
184.04895	0.7
185.01181	0.8
186.04503	1.0
186.99107	1.3
187.02771	1.1
187.04488	0.9
188.97070	10.6
188.98837	0.6
189.00656	2.4
189.02380	0.6
189.04187	4.6
189.05827	0.7
189.55692	0.9
190.98567	1.2
191.02319	3.6
191.03929	0.7
191.05736	1.0
193.00278	3.9
193.03850	33.0
195.01695	0.6
196.01147	0.4
196.04906	1.6
198.04637	2.8
198.54787	0.4
199.02814	0.7
201.00739	2.8
202.98547	0.8
203.02193	0.7
203.03920	0.6
205.00127	1.0
205.02008	0.5
205.03784	1.1
205.05466	3.0
206.98129	6.9
207.01749	1.3
207.05176	5.6
209.03290	0.4
211.04910	19.1
211.98607	1.3
212.07690	0.7
213.00587	0.8
214.05966	7.0
214.56215	0.7
214.98538	0.6
215.02223	1.3
216.05479	1.9
217.00146	0.8
217.03767	0.8
217.05635	0.8
217.09567	0.4
218.55984	0.6
219.01787	4.0
220.99670	0.8
223.01257	0.4
223.06552	3.3
224.06084	0.4
226.04106	0.8
229.05840	0.6
229.99600	0.8
230.98120	0.6
231.01714	0.5
232.07062	2.5
232.99680	0.7
233.03279	1.9
234.06482	0.9
234.57245	0.6
235.04802	32.7
235.06628	3.3
235.13666	1.2
235.16591	5.7
236.07147	0.8
236.09270	0.7
237.02885	2.6
244.99619	0.5
247.04807	0.6
251.04390	2.5
253.05890	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	234.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27341	0.3
55.05518	1.3
56.96543	0.3
57.03439	1.9
57.60028	0.3
69.03445	0.4
70.51187	1.0
70.51577	0.5
72.83364	0.3
79.05495	1.3
81.07065	3.7
91.05499	0.7
94.04079	1.4
97.06538	0.3
98.97598	1.8
116.98643	0.5
119.03564	3.2
120.08096	0.6
136.06197	100.0
137.04584	1.6
137.06587	0.5
148.06201	0.5
158.99701	0.7
161.05981	0.3
162.07744	0.3
164.07086	0.5
175.07533	0.4
177.00694	0.5
181.09793	0.3
190.10902	1.8
213.07759	0.6
217.12157	0.4
234.13512	63.3
235.13745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59218	0.9
55.01858	1.6
55.05496	3.9
56.05044	8.5
56.59085	0.9
56.96570	7.1
57.03436	2.5
57.07055	2.3
58.06603	4.1
58.60503	0.9
59.04990	4.4
63.55614	0.8
65.03930	3.1
67.05172	0.9
67.05509	12.7
68.05042	0.9
69.03438	4.6
69.07050	3.5
70.06585	3.5
71.04995	4.5
71.26814	1.5
72.08160	9.1
73.02906	2.3
73.06523	1.1
75.04478	12.6
79.05504	4.7
81.03401	2.0
81.07037	3.8
82.04221	4.1
82.06566	1.4
83.04972	2.4
84.08146	21.7
84.96013	0.8
85.02895	3.9
85.06546	6.4
86.06033	1.0
86.09687	2.3
88.02224	1.3
88.03986	1.2
88.07636	2.4
89.06038	2.3
90.94794	1.0
91.05470	2.6
93.03421	7.7
93.07016	1.9
95.04959	2.9
96.08133	6.5
97.02875	3.1
97.06538	64.8
98.09702	45.0
98.97588	10.9
99.08109	1.1
101.06001	1.1
102.05535	1.8
103.05436	1.8
103.07564	1.3
104.59744	0.8
105.07033	2.1
109.02911	1.2
109.06509	1.3
110.09689	8.2
110.97559	2.2
112.07633	1.2
112.99099	1.3
115.05482	2.0
115.07559	2.9
116.07105	1.1
116.10740	100.0
116.98601	3.8
117.07007	1.6
119.08580	1.5
120.08070	2.4
121.02869	5.0
121.06538	1.7
121.10079	1.0
123.04396	1.2
125.06001	54.4
128.10715	1.6
128.98605	1.9
129.09146	9.0
130.06502	1.0
131.00166	1.1
131.04872	1.3
131.08542	1.2
133.10117	1.4
134.06032	1.5
134.99657	2.1
136.06195	6.5
137.05969	1.4
137.09601	1.2
138.05505	2.0
138.09137	5.9
140.10640	1.6
142.12276	5.5
145.06474	2.0
146.08141	1.1
147.04329	1.1
151.07576	1.5
155.01796	1.0
157.08615	51.8
158.99638	2.4
161.01230	0.9
162.05528	1.3
163.07544	1.3
165.05521	0.9
168.05383	1.2
170.11787	17.9
172.13322	1.3
175.07471	2.0
177.00728	1.9
177.05849	1.6
188.07246	1.4
188.09233	1.2
189.05521	1.5
199.99933	1.1
202.14397	90.5
203.14754	1.2
207.02379	1.2
210.96887	1.8
211.97656	0.9
228.97966	1.7
229.00223	1.4
234.07716	3.1
234.11411	3.5
234.13606	7.2
234.16989	67.6
235.17009	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	234.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66255	0.7
55.01878	0.9
55.05514	5.7
56.96574	3.7
57.03432	3.3
59.05008	4.7
61.69812	0.7
63.55571	0.7
67.05508	1.4
69.03433	1.2
69.07081	0.9
70.02953	8.0
71.08630	4.9
71.28794	0.9
71.29136	1.0
72.04518	14.4
72.08147	1.2
73.02910	3.6
74.02434	1.8
79.05499	5.9
81.07064	27.0
83.08635	5.7
84.08145	1.7
85.02914	1.7
87.82652	0.7
90.05563	100.0
91.05473	1.5
93.07050	1.3
95.08564	0.7
96.04514	0.8
97.02904	0.8
97.06541	1.5
98.02429	16.6
98.97599	5.0
99.08105	9.8
100.04015	1.3
101.09620	1.5
102.05551	1.4
103.05462	0.9
105.07007	0.9
106.85911	0.7
109.06527	23.1
110.06041	1.5
110.09709	3.0
110.97557	0.9
116.03477	12.8
116.98650	0.9
117.09139	2.9
127.07572	2.1
131.04939	1.4
135.08067	0.9
136.06194	11.8
137.05966	1.0
138.09154	19.7
142.80875	0.7
147.04378	0.9
148.06163	1.1
156.10233	5.1
158.99709	1.0
167.99341	0.9
170.11794	2.1
173.08279	0.9
177.00761	1.0
180.10217	2.5
188.12897	1.6
190.10893	4.4
198.11276	30.1
201.00768	0.9
216.12344	19.5
217.15532	0.9
229.00136	0.8
234.07736	1.0
234.13420	37.1
235.17003	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
52.95359	1.1
53.03936	1.9
55.01857	2.0
55.05514	10.3
56.96553	2.5
57.07067	3.7
65.03902	1.2
67.05512	19.8
69.03423	4.0
69.07069	20.6
71.05003	8.8
71.58263	1.2
78.75748	1.1
79.05502	12.8
81.07059	17.9
83.04996	1.8
83.08625	9.5
85.06542	11.8
91.04952	1.8
91.05480	17.5
91.69061	1.0
93.07053	20.8
95.04964	2.5
95.08042	2.2
95.08611	30.9
97.06541	9.0
97.10165	1.8
103.05459	2.6
104.33944	1.1
105.06380	2.0
105.07037	33.8
107.04955	2.2
107.08600	27.8
109.06529	2.9
109.10157	16.2
111.08094	9.3
115.06523	1.2
117.07018	12.7
119.04917	2.1
119.08585	54.5
121.06491	3.7
121.10148	23.5
123.08105	2.6
123.11732	5.3
125.09638	3.7
128.06252	1.4
129.06982	4.4
130.07816	1.7
131.08571	30.1
133.10139	52.4
135.08069	3.0
135.11681	10.7
137.05994	4.7
137.09610	1.7
142.07782	1.9
143.08548	5.9
144.09337	5.6
145.06487	2.3
145.10132	44.6
147.08025	2.3
147.11707	23.9
149.09634	3.9
149.13300	7.5
151.11227	2.4
157.10118	6.8
158.10912	4.7
159.08046	2.7
159.11696	62.1
160.12390	1.3
161.09662	2.0
161.13237	4.8
163.11209	4.7
171.11635	2.7
172.12468	3.2
173.05948	1.4
173.09650	2.6
173.13261	37.9
174.14061	3.1
175.11189	2.0
175.14851	8.7
177.12772	7.0
177.16396	2.3
185.13257	2.0
187.14819	23.5
189.16397	24.2
191.14322	7.2
191.15817	1.2
201.51517	2.3
202.01773	2.7
205.15843	1.3
209.52904	2.1
211.02376	3.5
215.14632	5.3
215.17961	33.2
218.53609	2.3
233.08194	1.9
233.15565	14.1
233.19016	100.0
234.19376	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	233.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01858	1.5
55.05496	4.9
56.96552	5.2
57.07073	1.7
59.04995	1.6
66.02734	1.3
66.65562	1.3
67.05488	6.1
69.03409	2.4
69.07059	5.3
71.04994	8.6
71.12908	2.7
79.05477	5.7
79.38127	1.3
81.07059	10.5
83.04978	2.2
85.06519	1.9
91.05484	12.4
93.07054	9.9
94.41144	1.5
95.04975	3.0
95.08607	7.9
97.06515	1.5
103.05445	2.1
105.07031	31.2
107.04959	2.1
107.08622	11.1
109.02887	2.9
109.06509	4.6
109.10139	4.7
116.06259	1.6
117.07030	7.5
119.08590	23.5
121.06516	8.2
121.10143	6.3
123.08051	5.1
123.11698	1.6
129.06992	6.0
130.07741	1.7
131.08575	21.8
133.06482	5.4
133.10152	13.1
135.08092	7.4
135.11676	2.0
137.05942	1.7
141.06999	1.7
142.07782	10.3
143.08582	3.4
145.06488	2.2
145.10133	25.3
147.08052	5.4
147.11705	32.4
149.09618	7.5
151.07574	1.8
155.08554	6.1
156.09267	1.7
157.10147	22.9
159.08058	4.6
159.11688	6.3
160.08830	3.2
161.09534	3.1
161.13274	2.8
163.07567	3.3
163.11162	7.1
163.14821	2.0
165.09137	1.7
167.08560	2.2
169.10135	1.7
171.11711	5.9
172.12515	1.6
173.09647	9.5
173.13286	12.4
175.11195	75.1
177.05522	1.9
177.09097	5.4
182.10966	3.8
187.11171	2.3
187.14819	11.3
189.12703	3.7
191.10695	5.7
191.14308	19.6
197.13298	8.9
205.15916	4.0
206.03661	1.4
211.92053	1.3
215.07132	1.8
215.10886	1.7
215.14336	21.9
215.18021	1.5
233.08070	4.3
233.15379	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	233.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01858	1.5
55.05496	4.9
56.96552	5.2
57.07073	1.7
59.04995	1.6
66.02734	1.3
66.65562	1.3
67.05488	6.1
69.03409	2.4
69.07059	5.3
71.04994	8.6
71.12908	2.7
79.05477	5.7
79.38127	1.3
81.07059	10.5
83.04978	2.2
85.06519	1.9
91.05484	12.4
93.07054	9.9
94.41144	1.5
95.04975	3.0
95.08607	7.9
97.06515	1.5
103.05445	2.1
105.07031	31.2
107.04959	2.1
107.08622	11.1
109.02887	2.9
109.06509	4.6
109.10139	4.7
116.06259	1.6
117.07030	7.5
119.08590	23.5
121.06516	8.2
121.10143	6.3
123.08051	5.1
123.11698	1.6
129.06992	6.0
130.07741	1.7
131.08575	21.8
133.06482	5.4
133.10152	13.1
135.08092	7.4
135.11676	2.0
137.05942	1.7
141.06999	1.7
142.07782	10.3
143.08582	3.4
145.06488	2.2
145.10133	25.3
147.08052	5.4
147.11705	32.4
149.09618	7.5
151.07574	1.8
155.08554	6.1
156.09267	1.7
157.10147	22.9
159.08058	4.6
159.11688	6.3
160.08830	3.2
161.09534	3.1
161.13274	2.8
163.07567	3.3
163.11162	7.1
163.14821	2.0
165.09137	1.7
167.08560	2.2
169.10135	1.7
171.11711	5.9
172.12515	1.6
173.09647	9.5
173.13286	12.4
175.11195	75.1
177.05522	1.9
177.09097	5.4
182.10966	3.8
187.11171	2.3
187.14819	11.3
189.12703	3.7
191.10695	5.7
191.14308	19.6
197.13298	8.9
205.15916	4.0
206.03661	1.4
211.92053	1.3
215.07132	1.8
215.10886	1.7
215.14336	21.9
215.18021	1.5
233.08070	4.3
233.15379	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	233.1499
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.05040	16.6
56.96561	2.6
57.03441	3.3
58.06599	4.1
69.03438	1.0
69.07094	0.5
69.61024	0.8
69.61427	2.2
70.06578	0.4
72.08170	0.5
74.06085	100.0
84.04521	3.3
85.02906	1.3
86.09715	21.1
87.10036	0.5
94.35217	0.4
97.02889	0.9
98.97581	3.1
101.07156	1.8
102.05557	0.5
116.98612	0.6
126.12827	0.6
132.10219	17.4
142.12294	0.8
143.11848	0.5
153.04939	0.7
158.99701	0.7
162.05476	0.9
169.13393	1.2
183.13669	0.5
187.14444	10.7
212.06352	0.7
215.13922	3.3
216.12680	0.4
219.01921	0.5
233.06790	0.8
233.14960	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	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03933	2.3
53.58064	0.8
55.01857	1.0
55.05516	5.5
56.96576	8.2
57.03413	0.9
57.07068	3.2
62.81612	0.9
67.05521	5.3
69.03434	6.8
69.07071	4.7
71.04987	1.8
71.57764	1.2
72.04510	2.5
77.03922	1.0
79.05499	43.5
81.07069	9.8
83.04977	3.4
83.08630	5.2
85.06547	4.8
91.03559	0.8
91.05485	11.3
93.07048	11.1
95.04978	4.4
95.08599	6.3
97.06538	2.7
98.97557	1.1
105.06377	1.3
105.07039	16.4
107.04964	43.6
107.08604	11.3
109.06505	4.7
109.10172	2.6
110.97131	0.8
111.04415	1.2
111.08076	3.8
113.06084	1.9
115.05451	1.1
117.07024	4.9
119.04926	1.1
119.08585	17.1
121.06506	3.0
121.10132	7.8
123.08057	2.2
123.11708	2.2
125.06036	1.4
125.09636	1.7
129.07004	2.9
130.07761	1.2
131.00206	1.7
131.08574	16.2
133.10129	10.8
135.08052	4.4
135.11703	2.8
137.05998	2.6
137.09633	5.7
141.07018	1.3
142.07799	2.5
143.08560	3.2
145.06482	2.3
145.10139	17.1
146.10942	1.2
147.08070	14.5
147.11693	17.0
149.01227	1.5
149.09624	8.3
149.13248	3.2
155.08603	1.1
156.09340	2.1
157.10136	6.6
158.10883	2.7
159.08057	2.5
159.11719	4.0
160.08838	2.0
161.13348	1.3
163.11191	5.4
163.14771	0.8
167.08540	1.2
171.11679	2.7
172.12437	1.2
173.09612	2.5
173.13275	10.5
175.11192	21.9
177.05513	1.0
177.09171	1.2
178.96042	1.2
187.11266	1.9
187.14857	8.0
189.04999	1.9
189.12724	6.2
191.10616	1.6
191.14328	54.5
197.13298	3.9
198.03571	1.2
210.02586	1.5
213.09550	1.3
215.14311	10.9
215.17812	0.9
233.15381	100.0
233.18703	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	233.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01870	0.6
55.05516	1.1
56.05042	3.6
56.96560	1.9
57.03431	0.8
57.76820	0.4
58.06594	1.7
64.76176	0.4
67.05510	0.9
68.65528	0.4
69.03432	1.5
69.07058	0.7
70.06581	0.5
71.04980	0.7
71.57310	0.6
72.08167	0.5
73.02905	0.4
74.06095	2.8
79.05493	1.1
81.03423	0.4
81.07060	1.1
83.04969	0.4
84.04507	1.2
84.08167	1.1
85.02912	1.5
85.09001	0.4
86.09712	1.7
91.05470	2.4
93.07025	1.0
95.04984	0.9
95.08628	0.8
97.02906	1.0
98.97601	2.5
102.05550	100.0
103.05473	1.7
105.07047	2.1
107.04970	0.6
109.02872	0.6
109.06529	0.5
110.97627	0.7
115.05457	2.4
116.98626	1.0
117.07021	2.5
118.06554	18.8
119.08601	0.9
121.06548	1.0
127.03941	0.7
128.06212	1.0
128.98573	0.7
129.07033	0.7
130.06554	1.4
131.04944	1.4
131.08568	1.4
132.08177	0.6
133.06511	1.0
133.10178	0.6
134.99608	0.5
135.08063	0.7
136.06200	1.1
137.06067	0.5
142.06561	1.0
143.07397	2.2
143.08475	0.6
144.04456	0.4
144.05707	0.7
144.08093	9.6
144.09189	0.6
145.06474	3.2
145.10129	1.5
146.06017	46.6
147.06334	0.4
147.08080	0.5
149.05930	2.2
151.07417	0.4
155.06075	0.4
156.80719	0.4
158.07278	0.6
158.99637	0.5
159.08104	1.0
159.11769	0.8
160.07571	0.8
161.06000	0.7
161.09665	0.6
163.07634	1.2
167.07068	0.7
167.49434	0.4
169.10129	0.6
169.13477	0.8
170.06055	2.8
171.08122	0.7
173.06029	1.6
173.09627	1.0
173.13403	0.6
174.05493	1.0
174.06837	0.7
177.00743	0.5
187.07545	1.3
187.11122	0.6
188.07079	48.2
189.07460	0.9
189.09137	3.3
190.06219	0.6
190.54291	0.5
205.08643	0.9
213.04207	0.8
215.07083	1.2
215.10750	1.1
215.14290	0.6
216.12387	0.6
219.01872	0.4
233.04475	0.5
233.08153	2.8
233.13052	12.6
233.15443	2.0
234.07605	0.4
234.13469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Pichiafuran A
Peak:m/z	Relative Intensity
55.01885	1.4
66.10413	0.7
67.05515	1.6
68.99796	3.2
69.03425	1.5
69.07079	6.9
69.35586	1.8
69.35992	4.8
71.01350	1.2
78.84373	0.8
79.05495	5.4
81.07056	1.3
85.02913	26.8
91.05490	81.6
93.07026	1.3
95.04966	1.6
95.08627	1.2
95.78987	0.8
97.02944	1.0
97.06556	8.7
103.05476	3.9
103.12151	0.8
105.07041	100.0
107.04974	1.0
107.08530	1.1
109.06532	1.6
109.10194	0.7
111.04472	1.4
117.07036	2.6
119.04979	6.4
119.08597	1.7
121.06496	1.2
129.07014	3.8
131.04951	15.3
131.08586	13.8
133.06532	7.1
137.05994	26.6
141.07056	1.0
145.06519	2.3
145.10129	6.6
147.08040	0.8
149.09663	2.2
154.07784	0.9
157.06497	1.2
157.10173	0.9
159.08028	1.4
159.11702	2.6
163.11194	1.5
169.10172	2.1
171.08121	1.2
173.09619	4.8
173.13329	1.3
175.07573	16.4
187.11185	4.1
189.09113	0.9
190.30696	0.9
197.09676	1.5
215.10689	26.0
215.14102	1.0
233.11720	14.8
233.15451	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	233.1173
Annotation	Pichiafuran A
Peak:m/z	Relative Intensity
53.03962	0.4
55.12707	0.3
62.13833	0.3
65.03944	0.6
67.05495	0.9
68.99795	2.8
69.03443	0.9
69.07089	2.1
69.20567	3.2
71.01350	1.1
71.04986	0.5
79.05489	3.0
80.91186	0.4
81.07068	1.2
83.04970	0.7
85.02908	27.7
87.00835	0.5
91.05486	66.5
92.05811	0.6
93.07059	1.0
95.05000	1.0
95.08611	0.8
97.02876	0.9
97.06535	1.6
103.05466	3.8
105.07035	100.0
106.07381	0.8
107.04939	0.7
107.08581	0.9
107.10240	0.4
109.06532	1.2
111.04472	1.1
117.07042	1.0
119.04948	1.5
119.08590	0.9
121.06498	0.6
128.06236	0.5
129.07002	3.6
131.04936	14.9
131.08577	13.0
133.06509	5.4
135.08067	1.6
137.05974	8.5
141.06966	0.4
143.08542	0.7
145.06519	0.6
145.10129	3.3
147.08037	0.8
149.09630	1.7
153.07025	0.5
155.08609	0.9
157.06447	0.9
159.11722	0.8
163.11147	0.5
169.10083	1.0
171.08101	0.6
172.08965	0.4
173.09639	2.2
175.07555	14.8
179.08662	0.5
187.11230	2.1
187.14850	0.4
191.10677	0.9
197.09615	1.1
205.12279	0.4
215.10690	24.8
216.10954	0.4
233.08078	0.7
233.11748	11.0
233.15350	1.5
233.17255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1543
Annotation	Isobutyryl-carnitine
Peak:m/z	Relative Intensity
55.01873	2.2
55.05499	0.7
56.05038	2.9
56.96554	0.3
57.03439	0.4
58.06597	2.6
59.04996	0.4
60.05355	0.2
67.05501	1.7
69.07053	0.6
70.06586	0.4
70.74344	0.8
71.04985	0.6
72.04505	0.3
72.08160	4.2
73.06554	0.8
81.07069	1.3
83.08602	0.3
84.08145	7.9
85.06541	3.9
85.08932	0.4
86.06090	2.2
86.09705	1.6
91.05492	0.5
93.07035	1.0
95.04971	3.1
97.02869	0.5
98.09698	11.9
98.97562	0.2
99.08096	0.7
99.10490	0.3
100.07601	0.4
101.08416	0.3
102.05533	0.6
102.09190	2.7
109.06522	2.7
111.08086	1.2
112.07581	0.4
112.11231	0.8
113.05981	0.5
115.03928	0.6
116.10734	11.0
122.09673	0.3
123.08093	0.3
127.07571	0.6
128.07083	1.3
137.05966	0.7
140.10710	2.2
146.08133	1.5
155.07100	0.5
156.13861	1.3
158.11729	1.4
169.08583	1.1
172.13329	17.3
173.13614	0.3
182.11752	1.9
200.12842	3.7
214.14398	0.9
232.15446	100.0
233.06413	0.4
233.15898	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Pichiafuran A
Peak:m/z	Relative Intensity
53.03954	0.4
55.05473	0.4
56.07985	0.4
63.19205	0.4
65.03944	0.8
68.99800	2.9
69.03431	1.1
71.01350	1.1
79.05497	2.8
81.07077	0.9
83.04987	0.5
85.02906	30.0
87.00838	0.6
91.05484	70.2
92.05820	0.7
93.06992	0.4
95.04996	0.6
97.02903	0.8
102.43311	0.4
103.05479	4.8
105.07034	100.0
106.07374	1.0
107.08600	0.5
109.06482	0.4
109.64518	0.4
111.04449	0.9
117.07014	0.7
118.63885	0.4
119.08636	0.6
121.10125	0.5
123.04411	0.6
125.85232	0.4
128.06235	0.8
129.07033	2.8
131.04933	15.7
131.08569	13.9
133.06491	6.1
137.05975	3.4
143.08594	0.4
145.06349	0.4
145.10129	1.4
146.09605	0.7
147.08003	0.5
149.09619	1.5
155.08522	0.8
157.06517	0.8
167.48079	0.4
169.10078	0.8
171.07990	0.5
173.09601	0.8
175.07564	16.1
178.96028	0.5
179.08563	0.7
187.11151	0.9
191.10742	0.8
197.09630	0.7
215.10687	24.0
215.14084	0.7
216.11115	0.5
228.31726	0.4
233.08177	0.7
233.11728	9.7
233.15198	1.8
233.18961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
56.05042	3.0
56.96552	1.1
58.06601	3.3
67.05501	1.3
68.77307	0.3
69.07045	0.8
69.71902	1.9
69.76854	0.4
70.06594	0.9
71.04964	0.5
72.08153	4.2
73.06536	0.7
80.02525	0.4
81.07049	0.8
82.27237	0.4
84.08147	8.5
85.06550	3.2
85.08920	0.6
86.06072	2.6
86.09694	1.6
93.07076	0.7
95.04979	3.5
97.02912	0.5
98.09703	10.4
98.97566	1.3
99.08076	0.9
101.08416	0.4
102.09183	2.8
109.06504	2.5
110.88146	0.3
111.08083	1.1
112.07591	0.4
113.06027	0.5
115.03968	0.5
116.10740	11.5
116.98647	0.4
118.98232	0.4
127.07567	0.5
128.07092	1.4
137.05949	0.8
140.10736	2.2
146.08130	1.8
155.06981	0.4
156.13817	1.3
158.11801	0.7
169.08638	0.6
172.13335	15.0
182.11771	1.5
200.12833	3.7
214.14337	0.5
232.15450	100.0
233.15816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.8
55.05505	14.0
57.03432	8.8
57.07067	6.7
67.05492	12.3
69.03430	100.0
69.07047	15.7
71.04987	13.0
71.37586	7.7
72.08143	4.4
79.05486	13.7
81.03423	44.4
81.07059	35.0
83.08593	7.7
85.02907	35.2
85.06526	7.0
87.00813	19.6
87.01311	4.3
93.07059	22.1
95.04913	6.1
95.08601	52.7
97.02895	19.8
97.10168	7.5
99.04464	27.1
105.07030	9.5
107.08601	36.5
108.21790	4.0
109.02872	17.4
109.10173	21.3
111.08042	5.2
118.06544	11.5
121.10147	34.3
123.11707	4.3
127.03918	26.1
130.06511	10.1
131.08543	4.0
133.10173	4.7
135.11714	14.5
137.13284	6.0
142.07748	5.5
143.08546	5.4
145.07611	16.3
146.05962	4.0
157.10017	4.4
162.87129	4.5
171.05574	11.2
175.07477	4.9
177.16391	53.9
185.07079	37.9
195.17435	17.6
231.07880	8.4
231.10008	5.4
231.13870	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
55.01865	5.3
55.05512	16.2
56.96563	4.6
57.03425	6.1
57.07072	6.1
59.04998	1.9
61.02905	3.5
67.05508	14.3
69.03434	100.0
69.07073	20.2
69.97240	8.9
71.04991	8.7
71.08630	2.8
72.08141	10.0
73.02914	2.2
79.05499	17.8
81.02979	3.0
81.03424	48.5
81.07065	33.8
83.01341	3.5
83.08614	15.9
85.02905	49.6
85.06551	8.8
85.75652	1.8
86.09698	4.3
87.00829	17.9
87.04472	2.4
91.05474	9.5
93.07051	27.4
95.04973	7.3
95.08610	55.0
97.02892	38.3
97.06535	4.6
97.10166	6.7
98.97585	16.5
99.04469	16.6
99.08089	5.5
105.01862	2.4
105.07000	4.2
107.08604	31.2
107.35300	2.0
109.02898	15.1
109.06482	2.7
109.10172	18.8
110.97577	2.2
111.04468	1.8
111.08084	2.8
113.06001	4.6
115.03957	2.0
116.62682	2.0
116.98576	4.2
119.08608	4.3
120.08104	2.2
121.06554	2.5
121.10152	44.4
123.11689	7.1
125.09666	2.2
127.03934	20.8
128.98636	2.2
129.03764	1.9
129.06996	3.3
133.10115	3.5
135.11716	13.2
137.13260	5.3
139.11189	3.6
141.05466	10.2
143.08600	2.9
145.05057	2.1
145.08139	1.9
149.13252	4.2
151.11166	3.3
157.10104	3.7
158.99637	2.2
159.08128	1.9
161.09656	2.5
165.16418	4.9
171.09204	5.4
171.11694	3.0
173.09619	2.3
175.07616	2.6
177.16389	59.5
183.17427	2.5
185.09613	2.7
187.12431	2.7
189.09071	2.2
195.17464	15.8
198.07745	1.8
211.07210	2.9
213.03897	2.1
213.18608	2.1
214.18033	3.3
216.08960	4.7
219.01811	2.1
226.82619	2.1
231.02855	2.1
231.04710	2.8
231.06639	5.0
231.10159	7.0
231.11734	6.6
231.13965	4.3
231.17517	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	231.1706
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03949	1.6
55.01873	0.7
55.05514	11.0
56.05037	0.5
56.96571	2.1
57.03436	0.5
57.05812	0.9
57.07088	0.2
61.02925	0.5
67.05505	0.5
68.99813	0.4
69.03430	10.5
69.07064	0.5
70.06602	0.6
70.80776	0.7
71.05018	1.1
72.08158	100.0
73.02923	0.4
73.08497	0.5
79.05500	0.6
81.03417	4.8
81.03855	0.4
81.07082	0.4
83.04974	0.9
84.08124	0.5
84.96039	0.4
85.02908	4.8
85.06545	0.4
86.09708	6.0
87.00832	1.6
87.04473	0.4
88.50005	0.2
91.05499	0.6
93.07060	0.7
95.04992	0.4
95.08604	0.3
97.02899	2.8
97.06538	0.5
98.97592	2.9
99.04464	2.2
99.05568	0.6
105.01897	0.3
105.07032	0.6
107.04971	0.3
107.08589	0.4
109.02883	1.7
109.06539	0.4
110.06108	0.3
110.09662	0.3
110.97598	0.2
111.04472	0.8
111.08092	0.4
112.07669	0.4
112.99196	0.4
115.03941	0.2
115.05451	1.1
116.98626	1.2
119.01854	0.3
119.04995	0.3
119.08619	0.4
121.06557	0.3
127.03929	2.4
127.59037	0.2
128.06229	0.5
128.98610	0.4
129.07054	0.5
131.00171	0.5
132.05724	0.3
132.10207	3.7
134.99681	0.4
139.03897	0.3
139.92206	0.2
141.06937	0.4
142.07806	0.6
143.04993	0.7
143.08621	0.4
145.06511	0.3
147.04359	0.3
147.08028	0.2
149.01199	0.4
157.04973	0.2
157.06490	0.5
157.10049	0.5
158.99696	0.7
160.05252	0.5
161.01161	0.3
161.06056	0.7
170.99788	0.2
171.04404	0.4
171.08055	0.6
175.07550	0.8
177.00725	0.4
185.09674	0.4
185.16563	0.8
188.04668	0.3
189.00719	0.3
189.09166	0.5
199.03920	0.3
203.07021	1.4
207.01723	0.3
213.03966	0.4
213.05760	0.3
213.12482	0.3
216.04196	0.3
219.01772	0.4
231.06575	1.6
231.10210	0.7
231.13817	0.8
231.17035	2.4
232.15454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.3
55.01860	3.1
55.05496	1.8
57.03428	3.1
61.02913	2.0
65.54559	1.0
65.99626	1.1
67.05497	2.6
68.99786	3.0
69.03434	100.0
69.07076	2.8
71.04996	7.9
71.56389	1.3
79.05494	2.1
81.03423	41.1
81.07052	3.0
83.01341	2.2
85.02911	48.3
85.03432	2.4
87.00841	18.2
91.05470	3.5
93.07040	2.5
95.08598	3.9
97.02899	18.3
99.04461	16.2
105.01848	2.5
105.07032	5.1
107.08595	3.0
109.02883	16.1
109.10159	2.3
111.00825	1.1
115.05455	1.3
117.07005	1.5
118.08935	0.9
119.08584	2.7
121.10162	1.0
122.64427	0.9
127.02962	1.6
127.03916	22.8
128.06227	2.3
129.06981	2.9
131.08562	2.5
133.10112	4.4
135.11664	1.3
142.07753	1.8
143.08565	3.7
143.30649	1.0
145.04970	1.6
145.10101	3.4
147.04398	1.5
156.09268	1.4
157.06567	1.3
157.10135	3.7
159.08061	1.4
159.11702	1.4
161.05991	1.5
161.09637	1.9
161.13293	1.1
163.06018	1.2
171.11702	4.6
173.13176	2.7
174.03058	1.1
175.07590	2.1
185.09680	1.1
185.13269	2.8
190.06323	1.4
198.10443	1.3
213.03864	2.3
213.09082	1.4
213.12749	3.1
213.16325	1.5
231.04764	1.8
231.06650	2.8
231.10054	2.2
231.13828	4.2
231.17438	7.2
231.21040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	H-LEU-VAL-OH
Peak:m/z	Relative Intensity
53.03952	2.1
55.01869	1.0
55.05516	2.5
56.05040	3.6
56.96556	1.1
57.03443	1.1
57.07067	3.4
62.47557	0.7
67.05520	1.5
69.03434	21.8
69.07073	2.2
69.36847	1.4
69.37251	4.2
71.04987	1.5
72.08165	1.0
73.16519	0.6
79.05508	1.1
81.03425	8.7
81.07061	3.0
83.06109	2.7
83.08630	2.1
84.04509	100.0
84.08131	2.3
85.02908	15.9
85.06550	1.0
85.10187	18.6
86.09689	0.9
87.00830	3.4
87.04473	0.8
91.05473	2.1
93.07063	1.6
95.04961	1.0
95.08610	2.4
97.02891	4.4
97.06530	0.8
98.21447	1.6
98.97589	2.1
99.04455	3.3
100.45982	0.6
102.05542	7.4
102.12823	71.9
105.07040	1.6
107.08595	2.3
109.02882	2.7
109.10137	1.0
111.04478	0.9
115.05437	0.9
119.08581	1.5
121.10143	2.4
127.03914	5.6
128.06224	0.9
129.06908	1.3
130.05014	64.1
131.08560	0.8
133.10152	1.3
135.11766	0.9
142.07770	1.1
143.08554	1.5
145.10123	1.5
147.08151	0.8
157.10165	1.5
159.11658	1.5
161.09605	0.9
170.10851	0.7
171.11745	1.3
175.07545	1.7
177.16411	1.8
181.76088	0.7
185.13179	0.7
185.16496	17.3
189.09099	0.8
193.58290	0.7
213.09413	0.8
213.16373	0.8
214.14394	52.1
215.58615	0.6
231.06685	2.0
231.10010	1.5
231.13829	2.4
231.17067	27.1
232.17259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.5598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86676	2.3
65.03687	2.1
67.05488	7.4
69.42888	5.5
69.43289	15.3
74.17079	1.9
108.50414	2.6
109.10168	3.7
111.76019	2.4
131.04869	5.3
141.07022	2.6
153.59129	2.4
155.08524	4.0
158.03615	10.2
158.07236	2.8
168.05693	2.7
169.10127	4.8
183.11703	3.7
185.06131	2.7
186.03140	8.5
186.06784	5.3
187.03549	2.8
191.52692	2.6
194.69479	2.6
197.06177	3.2
201.05501	19.7
201.09151	7.5
202.93393	2.8
211.07497	13.2
211.11362	2.9
213.05460	5.3
214.06279	9.7
220.51625	2.5
229.05219	17.4
229.08603	100.0
230.08977	6.2
230.24837	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	230.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52596	0.7
53.03958	0.9
55.05503	2.5
57.03418	1.3
57.07075	0.9
67.05504	1.7
69.03423	2.3
69.07073	99.6
70.02952	3.3
70.06586	1.1
71.05005	1.0
71.07694	2.0
74.02448	25.6
77.89149	0.8
81.03429	1.9
81.07026	1.2
83.05006	1.1
84.08138	0.9
85.02922	1.5
85.06519	0.8
86.09721	1.5
88.03998	49.9
97.02898	1.4
97.06550	6.4
98.02457	0.8
98.06049	1.1
98.97566	1.9
102.05556	4.5
110.97580	0.8
114.09161	2.2
115.07553	1.0
116.02661	1.5
116.03461	21.0
124.07528	1.1
128.08269	0.8
134.04497	100.0
140.10649	1.2
140.14320	1.5
147.33824	0.8
148.06056	2.8
148.76814	0.9
152.07085	2.3
152.29842	0.8
158.09674	2.6
166.08679	9.5
168.08029	0.9
184.09686	8.5
186.14903	1.7
187.06311	0.9
188.07172	1.2
198.07628	1.0
204.35117	0.8
212.09193	8.3
230.10258	51.5
230.13921	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	229.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71246	0.7
53.03940	1.3
55.05505	4.6
57.03424	2.0
57.07078	4.8
58.72009	0.7
67.05167	1.1
67.05506	16.6
69.06782	0.7
69.07073	8.0
72.04482	0.9
72.11498	0.8
79.05495	6.7
81.07059	14.4
83.08624	4.0
88.07614	2.2
89.07939	0.9
91.04971	0.8
91.05483	9.4
92.05807	0.9
93.06464	1.2
93.07050	18.5
93.96677	0.8
95.04947	0.9
95.08043	1.4
95.08613	18.1
97.10178	1.7
102.09169	1.3
105.07035	21.2
107.08599	27.1
109.10153	21.6
115.05500	0.7
117.07025	5.9
119.08586	28.4
120.23660	0.8
121.10147	24.5
123.11708	8.4
125.24750	0.9
129.06999	1.6
130.07764	1.4
131.08575	22.9
133.10138	19.4
135.11702	16.2
137.13239	1.1
143.08545	3.3
144.09322	1.8
145.10130	27.4
147.11690	10.3
149.13271	3.4
156.09315	1.0
157.10133	1.5
158.10902	2.6
159.11707	27.4
160.12427	1.0
161.13252	2.7
171.11719	1.9
173.09830	0.9
173.11829	1.6
173.13266	31.0
174.13846	0.8
185.13211	1.6
186.14020	1.4
187.14839	11.7
201.16412	3.4
229.08568	2.8
229.19531	100.0
229.23424	29.9
230.19821	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03942	4.7
55.01862	2.9
55.05517	69.4
56.96564	10.5
57.03432	6.8
57.07096	6.2
59.05015	13.7
67.05511	45.1
69.03439	22.7
69.07076	27.0
70.06599	2.7
70.89948	5.8
71.04995	14.9
72.08155	2.4
79.05497	9.7
81.07066	35.4
83.04990	60.7
83.08631	44.1
84.96033	3.9
85.06553	28.2
86.06071	2.5
87.04466	4.3
89.06035	2.4
91.05495	19.9
93.07050	34.0
95.04964	7.3
95.08617	25.1
97.06538	9.5
97.10144	3.7
98.97603	25.0
99.08112	14.8
101.06029	10.2
105.07049	15.4
107.04932	3.1
107.08599	47.7
109.06536	3.2
109.10166	100.0
111.08089	7.6
112.99155	5.0
113.05944	3.8
116.98614	9.0
117.06995	3.4
119.01856	3.0
119.08586	16.5
121.10149	17.9
123.08097	3.5
123.11724	36.4
125.09679	14.0
127.11201	32.6
129.07047	4.0
131.00188	4.3
131.08580	4.5
133.10143	10.0
135.11714	23.4
137.09637	4.1
141.06978	4.6
141.12918	2.5
143.08612	3.7
145.10141	7.0
147.11720	6.2
149.13283	14.2
151.11195	10.3
153.12750	7.0
155.08577	4.4
158.99706	5.6
159.07994	3.9
159.11696	7.2
161.06013	8.6
167.14343	38.2
169.10156	3.2
169.12259	33.7
171.08038	2.5
171.11700	3.7
173.01242	6.6
173.09625	4.7
173.13292	7.2
175.14833	9.8
183.11697	2.9
185.15399	10.5
187.07469	3.6
187.11171	3.4
187.14778	2.9
191.02316	6.0
193.15923	17.7
197.06032	3.3
211.07620	3.7
211.15057	4.7
211.16942	73.3
219.01764	3.7
220.85625	2.5
229.08615	18.8
229.12306	9.2
229.15875	12.7
229.17909	17.3
229.19640	9.2
229.23517	3.1
244.90431	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.6
57.03441	12.4
58.91336	3.2
62.57977	3.2
67.05515	21.7
69.03419	8.4
69.07072	9.9
70.06582	12.0
71.04990	6.4
73.02905	4.2
79.05494	11.2
81.07059	22.8
83.04984	4.0
83.08630	3.6
85.02904	6.3
86.09702	8.6
91.05473	9.8
93.07037	17.9
95.08622	20.6
98.97590	9.4
105.07040	16.8
107.04938	5.9
107.08596	16.4
107.95506	3.5
109.06503	3.8
109.10159	34.4
111.08097	3.7
115.05493	5.8
116.07065	9.8
119.04916	3.4
119.08588	18.7
121.10158	6.9
123.08115	4.9
123.11717	8.5
125.09672	6.3
126.09078	3.3
129.06955	3.5
133.10133	10.3
135.04425	4.8
135.11670	13.4
142.06572	5.1
145.01649	4.8
147.11732	4.8
149.13268	4.5
151.11148	11.4
158.70833	3.4
169.12263	4.2
170.06015	5.1
175.14853	15.5
183.09193	100.0
193.15869	12.6
199.09973	5.1
208.10352	4.7
211.16971	5.6
229.05037	5.3
229.09859	51.3
229.12090	4.7
229.15765	8.5
233.55348	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	229.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01855	2.7
55.05265	1.1
55.05510	13.3
56.96566	6.1
57.03432	4.3
57.07062	3.9
59.04987	3.5
61.18615	1.2
64.49182	1.1
67.05170	1.3
67.05505	19.8
68.97736	1.1
69.03435	5.9
69.07076	7.6
69.79527	3.0
69.79933	3.8
70.06597	17.0
71.01322	1.5
71.04994	11.0
72.08154	4.4
73.02897	1.2
78.04701	2.8
79.05500	8.0
81.03406	1.9
81.07063	13.8
82.06575	1.3
83.04966	5.0
83.08615	10.4
84.08147	2.1
85.02897	2.5
85.06538	5.0
86.09708	5.9
91.05494	6.6
93.07047	13.1
95.04977	18.5
95.08612	34.3
97.02872	3.4
97.06541	3.6
97.10192	1.8
98.06047	1.2
98.97013	1.1
98.97580	8.0
99.04456	9.4
99.08099	100.0
105.07032	7.9
107.04947	3.0
107.08604	11.1
109.06512	4.2
109.10159	48.7
110.97500	1.5
111.04446	2.5
111.08067	3.7
112.28672	1.2
113.06005	3.1
113.09664	1.4
115.05441	1.8
116.07101	5.1
116.98618	3.4
117.06982	1.8
117.09142	2.2
119.04962	1.8
119.08582	11.4
121.06532	1.8
121.10168	6.1
123.04442	8.4
123.08046	3.3
123.11694	3.6
124.05265	1.3
126.11418	1.5
127.07603	1.8
127.11162	2.9
128.06230	2.9
128.08264	1.3
128.98653	1.4
129.07002	2.4
129.10193	1.6
130.08597	3.3
131.04861	1.2
131.08589	3.2
133.10112	8.3
135.11708	16.8
137.05957	1.7
137.09627	18.8
139.11243	1.5
141.06996	3.5
141.10184	1.3
142.08664	2.2
145.10106	2.2
149.05978	1.8
151.03867	5.9
151.11172	2.5
152.04706	2.5
153.06989	2.3
153.12743	4.8
155.08559	4.7
155.10657	21.0
157.06512	2.8
158.07243	1.4
158.99640	2.4
159.08022	3.2
161.05994	2.1
165.06961	3.3
165.09163	1.5
167.07050	69.2
168.05774	2.5
168.07257	1.7
169.06448	2.8
173.05991	2.5
173.09549	2.0
175.14836	8.4
181.08562	2.1
182.08423	1.6
183.07953	6.6
185.06018	3.9
186.14870	1.6
193.06181	1.4
193.15910	10.5
196.05301	1.3
201.09137	4.8
201.12654	2.0
211.07555	3.5
211.11438	1.6
211.16933	24.8
212.03757	3.1
229.04991	3.8
229.08441	10.7
229.12323	4.9
229.15564	4.1
229.17793	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Leucylproline
Peak:m/z	Relative Intensity
53.03952	0.7
55.05505	8.6
56.05041	3.8
56.96566	1.3
57.03443	0.7
57.07060	0.8
59.05005	0.9
61.02909	0.6
65.03931	0.6
65.11651	0.6
67.05512	3.2
69.03430	2.1
69.07072	16.1
69.19422	1.3
69.19830	4.7
70.06599	4.1
71.04999	2.2
72.08153	1.7
74.02455	3.1
79.05475	1.5
79.81510	0.7
81.07066	2.0
82.06638	0.6
83.04989	1.4
83.06107	3.6
83.08624	23.7
84.04509	82.5
84.08143	1.8
85.02921	5.0
85.04792	0.7
85.06531	1.2
86.09709	3.1
86.67345	0.6
87.04506	0.9
88.04005	7.1
91.05488	2.8
93.07066	2.1
95.04976	1.9
95.08604	3.6
97.02884	1.2
97.06557	1.8
97.12331	0.6
98.06065	1.0
98.97588	2.7
99.04436	1.2
99.08099	6.3
100.11262	100.0
101.00893	0.8
101.11611	0.9
102.05550	6.1
105.07015	1.8
107.04980	1.1
107.08607	1.4
109.06529	0.9
109.10157	4.2
109.32376	0.6
112.04022	0.8
116.03450	2.4
116.07066	1.7
116.98650	1.3
117.06989	0.7
119.01929	1.6
119.08588	1.8
121.02902	1.8
121.10151	1.4
127.05359	0.6
129.06636	0.8
129.09186	0.6
129.10237	1.1
130.05011	48.7
131.08568	1.3
133.10127	1.5
134.04500	13.1
135.11644	1.2
137.09647	1.2
143.08586	0.7
145.06483	0.9
145.10138	0.6
147.08127	0.9
155.07088	0.7
155.08507	0.8
155.10721	0.9
158.99693	1.3
159.08015	0.8
159.11716	0.9
165.09193	0.7
166.08659	1.8
167.07083	1.1
169.06441	0.9
173.06015	1.0
177.00731	1.1
183.11655	0.9
183.14934	15.5
184.09763	0.7
193.12364	0.6
198.41887	0.6
201.09129	1.3
201.12732	1.3
211.07654	0.9
211.11259	1.3
211.14487	1.1
211.16818	0.9
212.12830	58.4
229.04947	7.1
229.08861	3.1
229.12175	2.4
229.15482	40.7
230.10182	6.0
234.55466	0.8
240.02068	0.7
246.85759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
50.37502	0.5
55.01864	0.6
55.05508	1.2
56.96291	0.8
56.96568	11.6
57.03439	4.0
58.03779	0.5
58.06380	0.5
58.06606	5.8
59.04987	0.9
59.07381	1.5
60.08164	7.7
61.02925	6.9
62.03246	0.7
68.05015	1.0
69.03423	2.3
70.06595	42.0
70.51320	0.5
70.94765	0.5
70.95106	1.1
70.98107	2.2
70.99864	0.6
71.04977	2.3
71.95260	0.9
72.08151	1.0
73.02905	2.4
81.03405	1.6
82.99837	1.8
83.00779	0.6
83.04973	0.7
84.08144	1.2
84.96004	1.1
85.02898	4.5
85.06535	2.2
95.00770	0.6
96.01581	0.6
96.08110	1.8
97.02895	2.9
97.96819	1.3
98.01278	0.8
98.06059	1.0
98.96925	0.6
98.97588	12.6
99.04499	0.7
100.07638	3.0
100.99136	1.0
101.00887	15.2
101.02472	1.3
104.01284	0.7
109.02888	1.3
110.01281	1.5
110.97601	2.7
111.02044	0.8
112.07589	0.9
112.99133	1.5
113.00832	1.0
113.02373	0.8
113.05981	1.6
113.47211	0.6
114.05542	4.1
114.09190	1.8
115.02391	1.1
116.07079	2.1
116.98631	3.0
117.02028	1.8
119.00175	1.1
119.01917	24.7
124.07607	3.3
124.95483	0.7
126.02583	3.4
126.98732	0.8
127.00729	0.7
127.03949	0.8
128.02330	1.2
128.98618	2.0
131.00175	1.3
131.01892	2.3
133.01672	0.9
133.03455	3.3
134.99590	0.6
135.03090	4.2
137.02945	2.6
141.03065	2.2
142.03656	0.6
142.08638	35.3
142.96552	0.6
143.00166	1.9
144.03635	1.9
144.99817	2.0
145.01683	0.7
145.03458	1.1
146.99660	1.0
147.04985	0.9
148.03813	1.0
148.06570	1.7
152.10660	1.1
154.03778	0.7
155.02774	0.6
159.03088	0.8
160.01971	0.8
161.01236	0.7
161.02930	1.3
161.05478	0.9
163.02841	0.7
163.04440	1.6
166.09828	0.7
166.12265	1.5
167.02870	0.6
168.99838	4.0
169.02637	1.7
169.04448	2.1
170.08102	1.5
170.99669	0.6
172.99406	1.3
173.01265	0.9
173.99538	0.7
175.02591	1.1
176.03310	0.6
177.00911	0.7
177.02483	0.7
178.03304	1.0
178.04936	4.1
182.99800	0.7
185.03848	0.9
186.99278	1.3
187.00893	5.5
188.97069	0.8
189.02336	0.7
190.03151	0.8
191.04066	0.5
194.04367	0.7
194.11838	0.6
196.99261	1.5
197.01074	1.0
199.03584	0.6
201.00742	0.6
203.02327	0.7
205.01953	1.4
212.12773	1.0
215.00385	4.8
219.01619	1.3
220.04117	0.7
229.15475	100.0
230.13863	3.6
230.15749	0.9
233.03438	0.9
237.02682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Leucylproline
Peak:m/z	Relative Intensity
52.64862	0.3
53.03933	0.6
55.01865	1.3
55.05505	1.3
56.26142	0.4
56.96569	12.4
57.03436	4.0
57.07064	1.4
58.06335	0.5
58.06601	6.6
59.07368	1.5
60.08165	7.4
61.02640	0.5
61.02927	6.6
66.00542	0.4
67.05489	1.0
68.05007	1.0
69.03435	2.7
69.07058	0.8
69.20755	3.7
70.06593	39.6
70.98120	1.7
71.05004	2.1
72.08150	1.4
73.02917	2.8
81.03435	2.0
82.06579	0.8
82.99844	0.7
83.00797	0.7
83.04975	1.1
84.04490	0.8
84.08126	0.5
84.79042	0.3
84.96046	2.4
85.02905	4.6
85.06542	4.6
86.03692	0.7
86.09698	1.3
87.04426	0.7
88.99149	0.5
89.00761	0.5
90.01527	0.4
95.02583	0.3
95.05004	0.5
95.06076	0.4
96.01558	0.7
96.08144	1.8
97.02337	0.7
97.02893	2.4
97.96799	1.2
98.06042	1.0
98.97584	11.1
99.04424	0.8
100.07621	6.6
100.99129	0.9
101.00860	3.3
101.05966	0.5
104.01280	0.6
107.53395	0.3
109.02863	1.5
110.01270	1.5
110.06022	0.3
110.97575	3.0
111.00251	0.4
112.07585	1.4
112.99123	1.5
113.02374	1.0
113.06030	2.7
114.05539	3.8
114.06634	1.1
114.09164	2.1
115.00689	0.4
115.03900	0.4
116.07098	2.2
116.98640	2.0
117.02046	1.3
118.01095	0.5
118.02884	0.4
118.08662	0.4
119.00162	0.5
119.01871	6.8
124.07603	3.2
124.95522	0.8
124.99160	0.8
126.02565	2.1
126.09126	1.0
126.52630	0.4
127.03898	1.1
128.02318	2.1
128.98584	2.7
129.02072	0.5
129.03130	0.5
130.08640	0.9
131.00171	1.6
131.01845	0.8
132.00809	0.6
132.02545	0.5
133.01688	1.2
133.03387	0.7
134.02264	0.5
134.63972	0.4
135.03085	3.7
137.02911	0.7
140.02231	0.4
140.98630	0.6
141.03091	3.7
142.08640	31.4
142.96542	0.5
143.00171	2.3
143.01848	0.7
143.08916	0.6
144.03644	0.9
144.98109	0.6
145.01610	0.7
146.02312	0.7
146.99651	1.6
148.02031	0.5
148.03879	6.4
148.53983	0.4
149.01282	0.7
150.03621	1.1
152.02422	0.3
152.10652	1.2
152.98599	0.5
153.01285	0.6
153.04169	0.6
154.03877	0.7
155.00111	0.7
155.02782	0.7
156.03468	0.4
157.01524	0.6
157.04407	1.2
158.99686	1.5
159.03058	0.4
160.02020	0.7
161.01198	1.1
161.02873	0.6
162.01790	1.0
162.99159	0.4
163.04410	1.1
165.00713	0.6
166.12276	2.3
168.01881	0.8
168.99887	0.7
169.02582	1.3
169.04321	0.7
169.10545	0.5
169.13419	0.5
170.08159	1.7
170.96014	0.4
170.99609	0.7
173.01268	0.8
174.99159	0.5
175.02728	0.9
175.04590	0.3
176.03297	0.6
177.00824	0.8
178.03101	1.0
178.04825	0.7
178.23683	0.3
182.99670	0.6
183.02319	1.0
183.11308	0.8
184.03160	0.7
184.04927	0.5
185.03909	0.5
186.99210	0.8
187.00876	1.0
187.04887	0.4
189.00684	0.6
189.04161	0.6
191.02409	0.7
192.04417	0.4
193.03650	0.6
194.04399	0.4
194.11737	1.5
197.09799	0.9
201.00743	1.0
204.02905	0.5
205.00128	0.6
205.03745	0.6
211.11507	1.6
212.12851	2.5
215.00420	1.1
219.01801	1.3
220.04060	0.8
220.06004	1.3
229.06482	1.5
229.15471	100.0
230.13852	12.3
230.15819	1.3
233.03304	1.1
234.27647	0.4
237.02827	1.6
248.08125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.0
55.05498	15.9
56.96568	23.5
57.03425	16.5
57.07070	6.7
59.04987	6.8
67.05511	79.8
69.03429	7.1
69.07088	22.1
70.06577	9.1
71.04985	6.8
71.07227	4.1
71.56145	4.5
73.94437	4.1
79.05512	22.9
81.07056	59.6
83.08607	10.7
85.06529	6.8
87.04465	4.4
91.05492	40.5
91.23342	3.9
93.07041	25.4
95.04982	9.9
95.08610	19.2
97.06501	6.3
99.08071	7.2
103.05455	4.9
105.07039	42.4
107.04947	13.4
107.08613	20.2
109.06499	11.2
109.10172	53.9
113.05940	3.7
115.05457	11.2
117.07023	12.2
119.08564	39.8
121.10150	22.8
123.11726	20.5
128.06180	6.8
129.06981	20.5
131.08601	24.7
133.10103	16.8
135.11668	5.8
139.80623	3.8
141.06946	11.5
142.07773	8.6
143.08571	10.5
144.05659	4.4
145.06461	6.1
145.10138	29.3
147.07964	4.8
147.11687	77.5
149.09604	4.8
152.06175	4.4
153.07011	6.1
155.08578	19.3
157.10110	23.9
158.07259	4.5
159.04463	20.1
159.08029	7.6
159.11755	18.5
165.06995	5.4
165.12749	33.9
168.05650	6.8
168.09300	4.8
169.06523	25.5
169.10139	13.0
170.07277	14.7
171.11650	10.5
173.09634	12.1
173.11742	15.7
173.13266	16.0
175.11180	13.4
177.92514	4.2
181.06502	4.5
183.03195	6.2
183.08040	10.6
183.11697	8.1
185.13260	8.2
187.11166	9.4
187.14923	6.4
198.06731	12.0
199.11220	4.6
201.09081	8.5
201.16464	4.5
211.07585	28.6
211.11334	9.0
211.14845	7.6
214.06165	7.5
224.05791	4.5
229.05037	9.4
229.08574	100.0
229.12219	16.8
229.14334	62.6
229.15953	31.2
229.19405	27.4
229.23537	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	229.0859
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
55.05501	0.7
55.34520	0.3
56.96551	0.6
57.03429	0.7
67.05506	3.3
69.07063	0.3
71.01344	0.9
71.04993	0.3
71.56001	0.3
79.05480	0.5
81.03428	0.3
81.07049	0.7
83.04976	0.3
83.08611	0.3
91.05503	1.1
93.07024	0.8
95.04926	0.6
95.08598	0.6
105.07020	0.8
107.04967	0.5
107.08578	0.5
109.10162	2.3
111.08083	0.3
115.05439	0.8
117.07021	0.7
119.08595	0.8
120.65975	0.3
121.10167	0.4
123.04420	0.4
123.11715	0.3
129.06970	0.7
131.04965	0.4
131.08566	0.9
133.02803	0.2
133.10161	0.4
141.06979	0.5
143.04915	1.8
143.08571	0.3
144.05682	0.7
145.06459	0.4
145.10104	0.9
147.04424	0.3
152.06244	0.4
153.07004	0.7
154.66734	0.2
155.08545	2.7
157.06404	0.2
158.07312	1.3
159.04433	6.1
159.08049	1.1
159.11685	0.6
160.05177	0.3
161.05943	0.7
165.07021	1.0
168.05678	1.2
169.06407	0.5
169.10106	0.4
171.04381	1.3
171.11714	0.3
173.06026	0.6
173.09641	0.3
173.11803	0.5
173.13269	0.6
175.03938	1.7
183.08055	2.3
185.05946	1.8
186.06776	2.0
187.03906	1.9
187.07555	1.0
187.11203	0.3
197.05988	1.1
199.03889	1.0
200.04622	0.4
201.05540	1.3
201.09085	1.0
205.10809	0.3
211.07552	15.8
213.05463	5.2
214.06241	12.8
227.07262	0.3
229.08600	100.0
229.19447	3.2
230.08899	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	229.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01859	1.6
55.05511	0.6
56.96568	17.3
57.03437	6.0
57.07072	0.6
58.06599	6.5
59.04994	0.7
59.07381	1.0
59.20512	0.7
60.07922	0.8
60.08169	7.9
61.02932	9.7
68.05021	1.7
69.03429	4.1
70.06597	43.8
70.96651	1.1
70.98113	2.3
71.04983	1.8
71.95258	0.6
72.08150	1.8
73.02934	4.9
80.44193	0.6
81.01026	1.1
81.03432	2.8
83.00739	0.7
83.05000	1.1
84.04501	1.0
84.08114	0.7
84.96043	3.2
85.02910	7.2
85.06541	1.8
86.03687	0.6
86.09696	1.2
87.04459	1.6
88.99121	0.7
96.01541	1.3
96.08150	1.3
97.02894	4.4
97.96803	1.2
98.01310	0.9
98.97595	17.6
99.04448	2.0
99.97870	0.6
100.05242	0.9
100.07629	3.1
100.99191	1.4
101.00851	4.9
109.02887	2.0
110.01299	2.7
110.97580	4.7
112.07597	0.9
112.99129	2.3
113.00773	0.7
113.05963	1.1
114.05537	4.4
114.06230	0.6
114.06649	0.8
114.09170	2.7
116.07092	2.3
116.98647	4.1
117.02026	2.1
118.01001	0.6
118.02842	0.7
119.00232	1.3
119.01880	10.4
124.07611	3.5
124.95541	0.8
124.99110	1.7
126.02560	2.4
126.09173	0.8
126.98801	0.6
127.03909	2.1
128.02307	2.3
128.98613	3.6
131.00143	2.6
131.01846	1.2
132.00719	0.8
133.01706	2.5
133.03372	1.4
134.02211	0.7
135.03119	4.2
137.02931	1.6
140.98605	1.3
141.03119	5.1
142.08646	35.1
143.00148	2.4
143.01837	1.1
144.03618	1.7
144.98117	0.7
144.99887	0.8
145.01630	0.8
146.99608	1.5
147.03114	0.6
148.03865	9.6
150.03610	2.0
155.00066	0.7
156.03461	1.1
157.04404	2.0
158.99704	2.9
159.03162	0.7
159.54588	0.7
160.04985	0.8
161.01187	2.1
161.02873	1.3
162.01779	1.0
163.04404	1.3
168.99873	1.1
169.02536	0.9
169.10487	0.8
170.08121	2.0
170.99718	0.8
173.01257	1.7
174.01822	0.6
174.99060	0.7
175.02759	1.7
175.04556	1.0
176.03421	1.2
177.00723	0.6
177.02350	0.9
178.03145	1.6
181.04410	0.7
182.03409	1.0
182.99582	0.7
183.02325	0.8
183.11305	0.8
184.03087	0.9
185.03902	1.0
186.99191	1.0
187.00900	1.6
187.04825	0.7
189.00769	0.9
190.03093	1.3
191.02269	1.2
192.02846	1.2
193.00249	1.0
197.09836	1.2
198.04556	0.6
199.03676	1.5
199.42485	0.6
201.00757	1.7
205.00298	0.8
205.03841	0.9
207.01723	0.8
211.11533	2.6
212.12740	0.8
215.00414	1.3
219.01796	2.3
220.04070	0.8
220.05995	1.4
229.06540	2.0
229.12891	3.6
229.15486	100.0
230.13931	2.6
230.15894	0.6
233.03329	1.9
237.02925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.6
55.05496	8.9
56.96572	72.3
57.03442	17.1
57.07050	3.1
58.06610	4.0
61.02639	3.7
61.02930	42.2
61.31303	2.4
67.05500	3.3
69.03445	26.0
70.06606	22.3
70.98111	9.6
71.04995	6.7
71.56285	2.7
71.56665	3.0
71.95258	3.6
72.08141	3.8
73.02915	14.1
81.03410	8.6
82.06562	7.4
83.00800	4.0
83.04990	12.6
83.06090	4.7
84.04504	3.3
84.08141	6.4
84.96016	10.6
85.02502	2.5
85.02917	32.0
85.06544	6.2
86.03676	3.1
87.04465	2.9
88.99146	2.9
89.00791	3.9
90.01540	4.3
91.72694	2.3
92.01293	4.0
95.01330	5.4
96.01567	4.6
97.02887	13.4
97.96780	3.7
98.01324	3.2
98.06070	6.3
98.97591	60.7
99.04444	2.8
100.02443	3.5
100.07607	7.1
100.99132	3.1
101.00840	8.3
101.68932	2.5
102.01536	3.2
102.09184	5.6
104.01279	3.6
109.02874	4.4
110.01278	7.9
110.97571	12.6
111.04441	6.3
112.03941	6.1
112.07610	3.5
112.99116	7.7
113.02388	14.3
113.06026	4.1
114.05537	3.4
115.03920	2.6
116.98644	22.1
117.01940	2.7
118.01002	4.1
119.01874	15.4
120.00754	3.7
124.00865	3.1
124.95471	9.1
124.99083	3.0
125.01766	5.5
126.02602	6.3
126.77121	2.7
126.97061	2.6
127.00627	2.5
127.03920	7.3
128.02307	3.8
128.07030	2.6
128.98604	13.3
129.05455	3.4
131.00185	9.7
131.01799	2.9
134.00488	3.1
134.02307	11.4
134.99605	4.3
135.03099	8.3
140.98586	4.9
141.01228	4.9
141.03116	8.4
142.01743	10.3
142.08688	13.7
142.96489	7.1
143.00122	6.7
143.02786	9.2
144.98120	7.2
144.99738	3.6
146.99631	7.3
147.01268	3.8
147.03133	7.0
149.01234	5.7
150.01811	8.3
150.03612	3.6
150.09105	5.4
151.03630	3.2
153.03122	3.5
154.00006	2.8
156.03531	15.9
156.98093	6.0
158.99666	12.3
160.02872	3.6
161.01161	3.3
162.01810	3.3
162.03423	2.7
162.99162	4.9
163.04475	3.8
164.08212	4.9
164.10768	3.9
168.00034	4.8
168.01767	5.7
168.03265	3.6
168.10204	28.2
170.95927	3.7
172.97794	3.1
172.99268	5.1
173.01184	5.7
174.99123	8.6
175.02751	3.0
176.03406	3.5
177.00601	7.9
177.02263	5.4
178.02991	3.0
182.09283	13.4
183.06226	4.4
184.03011	3.8
184.97554	4.6
186.04391	10.6
186.99139	7.2
188.97057	5.7
189.00667	6.2
191.02274	5.2
192.10228	4.5
193.00206	4.7
196.00952	10.1
196.09471	75.9
198.00961	2.7
201.00743	4.3
202.03914	3.7
202.98544	4.9
204.05463	4.0
205.00227	7.8
210.11221	36.4
211.52000	2.8
219.01773	7.0
223.01326	7.5
225.70641	2.9
228.05719	9.0
228.08279	22.0
228.10204	4.1
228.12164	100.0
229.15477	41.9
230.98082	9.7
237.02744	4.8
237.14191	2.5
238.11803	2.5
248.99150	10.3
249.02580	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	228.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.01859	2.6
55.05510	8.1
56.96569	13.9
57.03437	7.5
57.98355	1.8
61.02919	4.2
67.05491	1.8
69.03429	6.2
70.04912	5.0
70.06597	7.5
71.04990	3.3
72.08153	1.7
73.02924	8.7
78.90877	1.5
81.03416	4.9
82.06568	7.2
83.04989	14.7
83.32098	1.6
84.04489	2.4
84.08124	2.7
84.96007	2.7
85.02905	7.9
85.06563	8.8
85.97630	1.5
86.03694	4.1
86.65539	1.5
87.04459	2.8
93.41124	1.6
97.02898	2.4
97.96767	2.5
98.06068	11.3
98.97600	19.3
99.04487	2.0
100.07610	7.9
101.00762	2.6
101.06042	3.2
102.09184	3.2
109.02915	3.2
109.48107	1.4
110.01292	3.6
110.06004	5.1
110.97556	6.7
111.04445	4.2
111.08064	2.3
112.03958	7.4
112.07597	4.8
112.99136	2.3
113.05991	7.1
114.66033	1.4
116.98656	3.9
117.02097	2.0
119.01809	4.3
124.07507	2.3
124.99113	2.6
125.01794	2.1
128.02335	1.6
128.07089	1.9
128.98659	3.1
129.05482	3.0
138.09061	2.0
142.08598	6.6
143.00128	2.4
143.02823	3.7
147.03090	3.4
148.03917	3.8
149.01241	2.4
150.09142	10.8
151.03647	2.3
152.02293	1.8
154.01999	1.7
154.03824	1.9
156.03510	8.6
158.99667	3.0
159.03162	3.0
164.10727	7.6
168.03429	2.9
168.10234	31.3
169.04501	2.1
170.03572	1.8
171.04167	2.3
173.01303	1.9
174.04398	2.3
182.03366	2.4
182.11780	2.4
182.21042	1.5
183.06297	3.5
186.04480	7.1
189.04123	2.4
191.03911	2.1
192.10129	8.8
196.09483	58.5
198.04654	2.5
204.05464	3.8
207.05161	6.1
210.11295	61.4
216.05719	5.9
228.08611	15.8
228.12210	100.0
229.15488	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	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03937	2.6
55.01851	3.7
55.05511	11.2
56.96569	6.2
57.03446	7.5
57.07067	2.5
58.77590	1.1
59.05007	6.1
65.03929	2.9
67.05510	10.1
69.03416	4.6
69.06759	1.3
69.07070	12.6
70.06574	2.5
70.91325	3.2
71.04651	1.7
71.05001	24.2
72.08136	1.1
73.02914	3.0
73.06555	2.7
78.04694	1.7
79.05496	11.7
81.03412	1.8
81.07060	16.1
82.06574	1.8
83.04995	6.2
83.08632	6.7
84.08121	1.9
85.02895	3.0
85.06541	13.9
86.09710	15.2
91.05482	12.7
93.07053	26.3
95.04975	100.0
95.08611	14.7
97.02847	2.0
97.06546	16.4
97.10145	4.4
98.97602	6.0
99.03942	1.1
99.04465	12.5
99.08104	21.5
100.11240	1.4
103.05452	3.9
105.07048	11.8
106.04128	1.8
107.04947	4.6
107.07948	1.8
107.08601	22.9
109.02864	1.1
109.06532	15.5
109.10175	9.6
111.04509	1.5
111.05482	2.4
111.08085	5.9
113.05978	4.6
115.07563	6.1
116.98591	2.0
117.07008	1.8
119.01888	1.5
119.08617	7.1
119.55452	1.2
121.02881	6.9
121.06525	6.8
121.09446	1.5
121.10170	18.2
122.37921	1.2
123.04406	3.6
123.08097	3.0
123.11678	5.0
125.05970	1.8
125.09620	9.5
127.07552	6.9
129.06975	2.3
131.04889	1.8
131.08507	7.4
133.03441	1.4
133.10130	24.7
135.04398	2.0
135.08083	5.9
135.11650	5.0
137.05974	4.1
137.09641	2.4
139.07588	2.1
139.11220	12.2
140.04681	5.0
143.10713	7.0
145.10104	2.3
147.11658	5.2
148.05226	1.4
149.05954	4.6
149.09584	3.4
149.13266	9.0
151.11127	3.9
153.01793	2.0
153.05496	1.6
153.06972	1.2
153.09137	28.2
155.07005	5.8
158.99619	1.4
159.04436	1.9
163.11160	2.0
163.14796	4.6
165.12778	3.0
167.07056	39.8
168.04175	1.3
171.10196	17.1
173.13297	10.9
177.05490	9.1
180.65762	1.2
181.05028	8.7
181.08630	1.9
181.83307	1.4
191.10713	1.8
191.14377	7.9
199.17987	1.3
201.36409	1.3
209.08092	6.9
209.11588	1.4
209.15384	18.1
210.11188	1.4
227.06999	1.7
227.12535	2.1
227.14362	1.5
227.16385	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03959	4.0
55.05502	13.5
59.04991	6.4
59.77477	3.9
60.18890	4.4
67.05507	16.2
69.03428	6.7
69.07072	26.2
70.91885	8.2
71.04996	39.7
73.15469	4.6
78.27193	4.3
79.05495	16.2
81.07057	38.9
83.04975	8.9
83.08615	10.5
83.95612	3.7
85.02918	9.4
85.06546	13.0
86.09689	10.6
87.04469	9.7
91.05479	14.4
93.07046	43.6
95.04973	89.0
95.08613	21.7
97.06535	30.0
99.04464	20.7
99.08096	72.4
100.11255	9.6
105.07041	20.6
107.08604	43.1
109.06559	21.1
109.10155	30.3
111.08105	6.8
113.09641	4.1
115.07565	25.3
119.08556	21.9
121.06477	4.2
121.10141	49.7
123.08085	12.4
123.11697	38.4
125.06011	7.0
125.09645	10.0
125.98860	3.9
127.07552	37.4
127.11255	5.5
131.08565	13.2
132.51070	5.0
133.10133	100.0
133.11081	7.8
135.08081	6.7
135.11696	9.3
139.11169	23.4
145.10185	8.0
147.11685	10.2
149.09621	16.7
149.13283	20.9
151.11201	43.1
153.09117	47.7
163.14833	8.4
167.07001	8.1
167.10718	40.9
169.12315	7.8
173.13268	32.7
191.14272	41.8
209.15331	30.8
227.10788	5.5
227.16307	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	227.1643
Annotation	Blumenol B
Peak:m/z	Relative Intensity
50.44839	1.9
55.05508	10.7
57.03434	5.5
57.07071	4.3
59.04996	6.4
67.05499	8.3
69.03430	7.5
69.07072	19.1
69.21236	19.5
70.24452	1.9
71.05002	24.5
74.45560	2.0
78.58239	1.9
79.05505	9.8
81.03427	2.2
81.07059	17.7
83.04991	15.2
83.08616	8.9
85.02905	2.7
85.06543	10.5
86.09717	2.9
91.05495	9.6
91.17316	2.0
93.07055	28.2
95.04977	100.0
95.08607	19.3
97.06535	22.0
97.10143	3.5
99.04462	17.4
99.07494	2.1
99.08105	35.2
100.11251	11.1
105.03407	3.1
105.07029	12.1
107.08601	25.7
109.06545	17.2
109.10185	12.8
110.06083	2.5
111.08076	5.2
113.09701	3.0
115.07590	22.2
119.08585	9.0
121.06536	2.8
121.10159	25.9
123.08058	5.9
123.11710	12.2
125.05974	4.1
125.09659	15.8
127.07574	16.1
131.08571	6.3
133.10139	46.0
135.08057	7.0
135.11694	5.0
137.09628	2.9
139.11230	10.9
141.11482	3.4
143.10655	2.7
145.10158	4.9
147.11729	6.5
149.09592	6.3
149.13298	12.9
151.11191	12.2
153.09114	31.2
163.14798	6.6
165.12796	2.4
167.07086	10.5
167.10678	3.5
171.10159	9.0
173.13254	18.6
191.14333	13.9
199.18176	2.0
203.16653	2.2
209.08028	3.2
209.15324	15.3
227.10431	2.3
227.16412	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01863	3.9
55.05501	7.3
57.07076	5.9
59.05001	4.3
65.03916	4.0
67.05504	8.1
69.03427	3.6
69.07049	11.1
70.46898	5.5
70.47292	4.5
71.04999	22.2
73.02913	12.5
78.18307	2.2
79.05489	7.7
81.07063	19.4
83.04963	4.1
85.02932	4.0
85.06560	6.9
91.05487	6.9
93.07059	21.7
95.04976	100.0
95.08611	15.3
97.06532	29.6
97.10165	2.4
99.04455	27.0
99.08098	38.4
100.11255	5.8
105.07030	11.3
107.04974	2.3
107.08603	17.2
109.06513	14.9
109.10169	20.1
111.08085	3.6
113.09660	4.1
115.07574	44.6
119.08585	9.5
121.10123	11.4
123.08054	2.4
123.11729	15.6
125.05994	4.3
125.09627	6.9
127.07568	20.2
131.08574	7.2
133.10139	68.3
135.08061	3.6
139.11212	13.5
140.04684	20.1
145.10127	3.8
147.11719	4.1
149.09637	3.6
149.13246	6.6
151.11203	19.2
153.09093	38.3
153.14842	2.5
155.07027	23.3
156.59448	2.5
158.10904	3.2
163.14816	6.0
167.07040	24.6
169.12280	4.6
171.06531	2.7
171.10114	2.9
173.13284	20.6
181.04965	37.1
191.10690	3.0
191.14316	16.9
209.08098	9.5
209.11581	2.7
209.15399	18.1
227.09190	4.7
227.16461	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05516	5.2
57.03442	6.3
57.07095	3.0
59.05009	4.4
67.05527	10.4
69.03422	4.9
69.07080	12.1
70.60195	4.6
70.60593	5.1
70.95085	2.4
71.04996	47.9
79.05484	11.2
81.07056	23.6
83.04980	7.4
83.08612	6.4
85.06551	14.5
86.09715	4.0
91.05483	10.8
93.07055	27.9
95.04973	100.0
95.08607	27.2
97.06532	21.8
97.10174	4.2
99.04460	51.2
99.08100	40.7
100.11263	5.1
101.00945	2.3
105.07024	18.6
107.08598	37.7
109.06535	19.3
109.10158	17.0
111.08102	7.2
113.09653	4.3
115.07542	10.7
119.08572	11.7
121.06481	4.2
121.10146	30.8
123.08073	7.7
123.11701	12.0
125.09635	14.1
127.07560	23.5
131.08578	9.7
133.10138	45.1
135.08069	7.5
135.11699	7.9
137.09639	5.7
137.17432	2.0
139.11182	15.7
143.01880	5.6
143.10663	4.2
145.10103	4.5
147.11681	9.8
149.09637	5.5
149.13246	16.3
151.11176	7.5
153.09128	30.2
163.11188	2.2
163.14864	8.1
165.12788	2.8
167.07062	5.2
167.14345	3.6
169.12337	3.5
171.10155	12.9
173.13297	23.6
177.05534	2.7
183.13818	6.8
191.14354	17.5
209.15363	18.1
217.00658	2.2
227.16423	48.6
227.18456	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	227.1279
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03952	2.8
55.01862	7.9
55.05294	2.3
55.05510	22.2
56.96562	4.9
57.03427	4.1
67.05512	28.5
69.07097	14.3
70.70468	4.8
71.04980	8.0
73.02883	2.7
79.05498	39.1
81.03436	5.4
81.07059	31.3
83.04997	5.5
83.08630	17.5
85.06534	7.0
89.09101	3.1
91.05499	15.2
93.07046	51.5
95.04955	13.0
95.08049	4.5
95.08610	61.4
97.02895	6.9
97.06527	8.6
99.04452	8.0
100.11223	4.1
103.05432	4.7
103.50835	2.6
105.07006	11.1
107.04340	2.5
107.04979	14.9
107.08601	42.4
109.06500	4.6
109.10179	3.5
111.04462	2.7
111.08057	3.7
111.11108	2.5
117.07018	9.8
119.08554	13.6
121.06492	10.1
121.10158	22.3
123.04288	2.6
125.05968	5.2
125.09570	3.0
129.07034	3.2
131.08568	3.6
133.10123	5.6
135.08060	5.9
135.11700	68.0
139.07524	3.1
143.08557	5.8
145.10141	46.6
149.05896	3.3
157.10150	4.9
163.11197	93.9
167.07056	21.8
171.08105	2.8
171.11711	4.1
177.05489	5.3
181.12273	18.5
185.09589	3.2
185.13179	2.7
197.93498	2.6
199.07515	3.1
209.11736	7.3
227.07018	6.9
227.10690	8.8
227.12776	100.0
227.17818	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	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.0
53.04156	0.5
53.42535	0.5
55.01865	3.4
55.05513	4.2
56.96559	0.9
57.03426	1.4
57.07063	1.9
59.04992	1.8
65.03925	1.0
67.05505	5.8
69.03422	2.2
69.07069	5.0
70.44519	1.8
71.04642	0.7
71.04998	8.2
71.07581	0.5
73.02910	0.6
77.03912	0.8
79.05491	4.4
81.03395	0.8
81.07059	8.2
83.04961	2.2
83.08602	2.4
85.02944	0.6
85.06541	6.1
86.09711	0.6
87.04458	1.6
91.05479	5.1
93.06480	0.7
93.07055	8.5
95.04974	40.2
95.08618	7.9
97.06517	4.9
97.10160	2.4
98.97575	1.5
99.04468	13.2
99.08088	5.2
100.11257	3.0
105.04512	1.4
105.07033	6.4
107.04931	1.6
107.08603	11.1
109.06523	5.1
109.10146	4.4
111.04433	1.5
111.08079	2.7
111.11713	0.6
113.05978	0.8
113.09657	0.9
113.37842	0.5
115.07587	2.5
116.98647	0.6
117.07008	1.2
119.08572	3.1
121.06492	1.7
121.10148	7.4
123.04436	46.9
123.08068	3.7
123.11729	3.3
125.06020	0.6
125.09637	3.8
127.07549	1.7
129.07013	0.7
131.08594	4.3
131.62341	0.5
133.10146	9.5
135.08057	2.5
135.11670	2.0
137.09683	0.7
138.06758	1.2
139.03888	2.3
139.07535	0.9
139.11165	2.2
140.04694	12.4
141.05403	0.7
143.08577	1.3
145.10086	3.1
146.11800	0.5
147.11716	2.0
149.05989	1.2
149.09657	2.2
149.13286	2.9
151.07549	1.6
151.11220	2.7
153.05515	0.6
153.09114	5.1
153.12773	0.8
154.06259	10.6
155.07042	34.0
155.10577	0.7
157.10175	0.8
158.99672	0.7
159.11609	0.6
163.11172	2.6
163.14796	1.3
165.12730	1.0
167.07047	5.9
167.10704	3.0
169.08606	10.3
169.12230	2.0
171.10229	0.8
171.11711	1.8
173.13254	3.9
175.03798	0.5
177.05486	1.1
179.07051	0.6
181.05017	0.9
181.12015	0.6
183.06537	100.0
183.13824	1.8
184.06783	1.0
185.13313	0.8
191.10732	3.2
191.12744	0.6
191.14294	4.0
209.08139	0.9
209.11720	4.0
209.13536	1.0
209.15186	3.0
212.10443	29.1
213.10997	0.7
227.10687	1.2
227.12767	2.4
227.16418	4.5
227.18074	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01866	3.1
55.05501	3.2
57.07071	5.1
67.05515	26.1
67.08379	1.3
69.03432	1.6
69.07059	5.8
70.83304	2.9
70.83636	3.3
71.05003	19.4
73.02900	1.5
78.99101	1.6
79.05505	29.5
81.07063	7.7
83.05001	8.3
85.06548	100.0
87.04446	1.7
91.05485	18.0
93.07056	26.7
95.04969	8.6
97.06526	5.4
99.08089	6.0
105.07046	17.8
107.04958	12.6
107.08603	27.7
109.06523	6.1
111.04459	10.9
115.07513	2.0
117.07002	5.2
117.18054	2.1
119.08584	15.6
121.06517	16.2
121.10146	19.5
123.04423	2.8
123.08096	3.0
125.06005	5.6
129.07025	7.3
130.07811	2.0
131.08574	63.9
133.10101	2.1
135.08046	3.1
135.11694	6.6
137.09584	8.0
139.38545	1.5
140.04724	1.9
141.05412	2.2
143.08496	2.2
145.06378	1.8
145.10126	26.0
147.08096	3.3
149.05981	1.5
149.09634	68.0
153.05432	3.1
155.07037	6.7
163.07506	2.6
163.11183	26.6
165.09131	12.6
167.06960	1.7
167.10698	30.9
167.65685	1.7
173.09619	7.2
179.10684	1.7
180.92287	1.6
181.04953	4.6
191.10681	56.5
209.11763	41.6
227.12775	13.8
227.16283	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03943	1.8
55.01861	3.7
55.05492	4.4
57.03410	2.2
57.07065	5.5
65.03947	2.5
67.05173	2.1
67.05506	26.2
69.07041	4.8
70.71136	3.3
70.71493	2.0
71.04996	18.7
79.05499	25.8
81.07042	5.5
83.04978	8.8
85.06548	100.0
87.04420	2.2
91.05481	17.6
93.07051	22.6
95.04956	7.8
95.08587	4.0
97.06509	5.2
97.63920	1.3
99.08095	5.4
105.07043	16.4
105.29366	1.3
107.04964	12.7
107.08600	29.3
107.80033	1.3
109.06491	4.0
111.04456	9.8
117.07073	6.9
119.08585	15.0
121.06509	14.0
121.10150	21.1
122.10268	1.4
123.08074	2.8
125.06001	6.6
129.06996	5.6
130.07777	1.7
131.08574	69.1
132.08897	1.9
133.10136	1.8
135.08089	2.6
135.11662	6.0
137.06000	1.5
137.09631	7.1
140.31682	1.5
143.08614	1.6
145.10120	27.7
147.08046	4.2
149.09621	67.5
151.07529	1.6
153.05473	3.2
163.07611	2.4
163.11218	21.0
165.09117	13.3
167.07085	2.7
167.10677	30.1
173.09648	6.3
179.10739	2.1
191.10675	54.6
197.11685	2.3
209.11739	45.6
227.12759	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	227.1068
Annotation	Pinosylvin methyl ether
Peak:m/z	Relative Intensity
51.02386	0.1
54.17122	0.1
55.01874	0.1
55.05536	0.1
65.03944	1.5
66.90868	0.1
67.05501	0.2
69.07072	0.2
69.45997	0.1
69.52714	0.8
71.51128	0.1
79.05528	0.2
85.06560	0.3
91.05486	100.0
92.05829	1.1
93.07055	0.2
93.37530	0.1
95.04967	0.1
95.08616	0.2
99.04455	0.1
100.11297	0.2
103.05472	0.1
105.07042	0.2
107.08622	0.1
108.05780	0.1
119.08592	0.1
121.06555	0.1
121.10145	0.1
123.04469	0.6
127.57361	0.1
128.06207	0.1
129.06973	0.1
131.08575	0.3
136.05217	0.4
143.08601	0.3
145.10094	0.2
149.05989	0.7
157.10086	0.2
171.11732	0.4
181.10095	0.3
185.09663	0.2
185.13394	0.2
191.10655	0.2
191.39919	0.1
199.11159	0.3
209.09570	0.3
227.10678	22.5
227.17923	0.7
228.11035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Annuionone A
Peak:m/z	Relative Intensity
53.03943	1.1
54.83205	0.8
55.01871	1.0
55.05514	4.9
55.06653	0.8
59.04987	1.5
65.03907	0.9
67.05490	3.6
69.03429	0.9
69.07053	2.1
71.04998	37.4
79.05509	4.5
79.05923	0.9
80.27471	0.8
81.03413	1.8
81.07051	6.7
83.04966	3.7
83.08632	6.0
85.02883	2.6
85.06513	0.9
91.05494	3.5
93.07027	2.9
95.04964	1.7
95.08614	6.3
96.47117	0.8
97.06526	2.5
97.10144	0.8
99.04463	100.0
105.07028	5.5
107.08604	34.2
109.06525	21.5
109.10159	3.6
111.08079	1.2
113.09669	5.7
119.04937	1.4
119.08588	3.4
121.10164	10.6
123.08073	14.0
123.11710	12.3
125.06030	2.0
125.09632	7.6
131.08578	1.9
132.08099	1.0
137.09634	1.6
139.11186	1.3
141.12779	1.8
147.04424	1.3
147.11699	6.5
149.09651	10.1
151.03885	1.5
151.07570	1.9
151.11192	1.1
161.13231	1.4
165.12764	9.5
167.10689	26.5
169.10048	1.1
175.03870	1.3
183.13818	27.4
189.12773	3.6
207.13753	3.2
225.14822	12.3
228.99495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59961	0.4
56.96577	0.7
59.29229	0.5
71.56310	0.8
89.06964	0.4
98.97571	0.9
116.10735	0.6
132.07782	0.6
162.76532	0.5
166.06322	1.1
167.07239	0.5
176.06819	1.7
176.11481	0.4
182.09392	0.5
194.07925	0.8
200.27412	0.4
207.65007	0.4
208.09714	1.0
215.64124	0.5
226.08411	100.0
227.08696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1067
Annotation	Pinosylvin methyl ether
Peak:m/z	Relative Intensity
50.61663	0.1
51.02371	0.2
52.32838	0.1
53.40361	0.1
55.01868	0.2
55.05510	0.9
55.50778	0.1
56.13330	0.1
56.96572	0.8
57.03455	0.1
57.07086	0.9
63.02360	0.2
65.03944	1.6
67.05515	0.7
69.03448	0.3
69.07080	1.1
71.05002	0.5
71.08643	0.7
71.57744	0.2
79.05495	0.5
81.03400	0.2
81.07063	0.7
83.04981	0.2
83.08625	0.6
85.06550	1.2
89.38934	0.1
91.05487	100.0
92.05814	1.3
93.07055	0.6
94.06590	0.1
95.04982	0.4
95.08594	1.3
97.10174	0.3
98.35126	0.1
98.97569	0.2
99.04438	0.2
99.08101	0.1
100.11267	1.6
102.16933	0.1
103.05465	0.3
105.07050	0.8
107.04937	0.4
107.08607	0.9
107.72745	0.1
108.05737	0.3
109.02886	0.2
109.06519	0.2
109.10168	0.4
109.92339	0.1
111.04484	0.2
111.11740	0.2
117.06998	0.2
119.08598	0.4
121.06507	0.4
121.10162	0.6
121.92007	0.1
123.04461	0.6
125.09629	0.2
128.06201	0.5
129.06984	0.4
131.04910	0.3
131.08557	0.8
132.08009	0.1
133.10191	0.4
135.08047	0.2
135.11714	0.4
136.05194	0.5
137.05968	0.2
137.09625	0.2
139.11235	0.3
141.06995	0.3
142.07872	0.2
143.08591	0.5
145.10132	0.4
147.11700	0.2
149.06038	0.8
149.09592	0.6
155.07140	0.2
155.08549	0.2
157.10138	0.7
159.11752	0.1
163.11205	0.3
166.07776	0.3
167.07037	0.5
167.10661	0.3
169.06525	0.2
171.08057	0.4
171.11743	0.7
171.12991	0.1
181.04996	0.2
181.10040	0.3
183.08186	0.2
185.09663	0.4
185.13225	0.3
191.10698	0.4
191.17809	0.2
195.06679	0.1
199.07608	0.4
199.11266	0.3
199.14687	0.1
209.09805	0.3
209.11775	0.4
209.16570	0.2
210.11230	0.2
212.08351	0.4
223.67552	0.1
227.07033	0.9
227.10689	23.6
227.14363	0.7
227.17929	1.3
228.10999	0.5
228.26996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
53.03944	0.8
55.05508	3.7
57.07071	1.0
59.04995	0.8
59.82386	0.8
67.05509	1.3
69.07078	1.5
69.37576	5.3
71.04998	34.8
72.45248	0.6
76.33210	0.7
78.56825	0.7
78.80717	0.7
79.05489	3.5
80.04939	0.7
81.03396	1.8
81.07064	5.2
83.04974	2.1
83.08619	5.6
85.02912	3.0
85.06576	0.8
91.05496	2.2
93.07037	2.4
95.04973	0.8
95.08616	6.8
97.06538	1.8
99.04462	100.0
105.07050	4.9
107.08606	30.3
109.06532	20.0
109.10162	1.2
111.08078	1.0
113.09664	5.0
119.08582	1.7
121.10149	8.5
123.08087	14.6
123.11726	11.9
125.05974	1.0
125.09635	8.5
128.29539	0.7
131.08575	1.2
137.09607	1.0
137.13251	1.2
139.11200	2.2
141.12737	1.6
143.08572	0.9
147.11743	6.2
149.09622	9.9
151.07449	0.9
158.13438	0.7
165.12791	8.0
167.10680	25.0
183.13823	28.3
189.12810	2.3
207.13870	2.0
225.05461	1.3
225.14883	11.5
248.10446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.04171	2.0
51.46805	2.2
52.92345	2.2
53.03950	4.5
55.01875	4.2
55.05297	2.3
55.05521	26.0
56.96574	16.5
57.03436	13.4
57.07068	3.9
59.05001	3.6
65.03926	3.9
67.05505	17.9
67.41958	2.1
69.03436	31.3
69.07079	15.6
69.53050	4.8
69.53451	11.8
70.06598	3.2
71.04999	45.3
73.02910	7.9
73.92970	2.1
79.05505	22.8
81.03423	8.3
81.07063	36.7
83.04983	31.5
83.08604	11.7
84.04512	4.8
84.08153	4.9
84.95994	2.4
85.02906	18.5
85.06546	5.7
86.09715	4.9
91.05497	42.2
93.07057	18.6
94.02946	6.5
95.04975	52.9
95.08611	33.8
96.08212	2.5
97.02901	13.3
97.06540	21.4
98.97594	22.6
99.04466	100.0
99.08131	3.7
101.02409	2.3
103.05465	6.0
105.03420	4.2
105.04520	2.3
105.07040	32.0
107.04965	13.5
107.08604	50.6
107.31007	2.3
109.06528	45.3
109.10162	18.7
110.06119	2.3
110.97541	5.7
111.04463	5.4
111.08101	6.8
113.09628	6.6
115.03965	3.4
116.98620	7.7
117.07023	3.7
119.04947	23.2
119.08588	32.6
121.06539	7.6
121.10148	29.0
123.04441	8.1
123.08080	45.3
123.11733	17.8
125.06018	22.7
125.09635	21.9
128.98596	3.6
129.07028	4.8
131.04913	6.4
131.08565	12.6
133.02911	2.9
133.06543	5.2
133.10123	11.7
135.04419	4.3
135.08041	15.4
135.11684	8.1
136.05254	2.7
137.05980	12.2
137.09599	13.4
137.13271	4.2
139.07530	4.4
139.11201	4.3
141.07025	2.2
143.08556	5.7
145.10120	7.4
147.04430	20.3
147.08080	10.9
147.11690	16.8
148.05194	8.9
148.07590	3.4
149.02341	3.2
149.05952	3.4
149.09634	42.0
151.03912	6.1
151.07556	27.3
151.11198	6.3
153.09103	6.3
154.03902	4.2
155.07031	3.8
156.09372	3.4
158.99712	7.0
159.11688	5.1
161.09592	4.2
161.13263	16.4
163.03854	4.9
163.07590	2.4
163.11189	30.5
164.04562	2.5
164.08406	5.0
165.05481	10.2
165.09149	8.1
165.12733	12.7
167.07036	9.8
167.10680	29.4
169.08630	8.7
171.11705	9.5
173.04845	2.9
175.03925	21.0
177.00671	4.3
177.12790	5.9
179.03398	4.2
179.07060	6.0
179.10674	3.4
179.14342	5.3
180.04208	8.3
180.07777	2.6
181.08611	43.5
181.12271	9.7
181.56390	4.6
182.07040	7.0
183.06555	4.7
183.13823	25.4
189.09038	2.3
189.12762	20.1
192.04152	6.1
193.04967	8.3
195.06433	2.5
195.10223	13.0
195.13922	5.3
199.06441	2.7
201.00755	4.4
207.06514	29.3
207.10205	8.7
207.13823	45.4
219.01820	3.7
225.07336	8.1
225.09174	6.9
225.11256	11.8
225.14825	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	Myxostiol
Peak:m/z	Relative Intensity
55.05519	1.4
57.03433	1.1
65.03948	1.0
66.73775	0.6
67.05505	2.1
69.03413	1.7
69.07061	1.3
69.85122	2.2
69.85534	1.3
70.11546	0.7
71.04996	4.7
77.03918	0.8
79.05512	3.7
81.03424	1.2
81.07052	3.5
83.04993	3.6
83.08621	1.2
85.02894	1.8
85.06537	0.8
91.05474	8.1
93.07041	4.3
95.04974	3.5
95.08638	3.6
97.02880	0.9
97.06546	1.0
99.04460	10.7
103.05479	2.6
105.07049	5.6
106.04184	0.8
107.04967	3.6
107.08604	7.2
108.05742	0.8
109.06536	6.2
109.10127	2.4
111.08079	0.9
113.06001	0.6
113.09669	0.8
117.07035	0.6
118.04163	1.1
119.04941	3.2
119.08591	3.0
120.05706	1.5
121.06509	7.1
121.10144	4.4
122.07336	1.3
123.04423	1.9
123.08069	7.5
123.11716	2.1
125.05984	2.3
125.09589	0.9
127.37766	0.6
133.02838	1.5
133.06512	2.3
133.10120	1.7
134.07301	1.0
135.04395	2.0
135.08022	4.1
135.11714	3.1
136.05183	2.5
137.05994	7.0
137.09601	1.0
138.06746	2.7
139.07512	1.7
141.09135	1.9
147.04393	2.0
147.08005	0.9
147.11684	2.0
148.05196	22.2
149.05994	9.1
149.09613	4.0
150.06793	4.5
151.03918	1.5
151.06413	1.0
151.07555	13.0
152.08310	1.1
153.05469	1.9
158.99532	0.6
159.11810	0.8
161.05988	2.0
161.13237	3.3
162.06752	2.1
163.07570	6.2
163.11179	4.2
164.08337	19.6
165.05486	8.4
165.09138	9.1
165.12804	1.5
166.06277	1.4
167.07048	5.3
167.10712	3.0
168.07806	2.1
175.03934	1.8
175.07574	0.7
176.08330	5.8
177.05463	1.3
177.09113	0.6
179.07048	4.0
179.14325	0.7
180.07813	18.8
181.08606	100.0
182.09070	1.4
183.13800	2.6
189.12781	1.7
192.07846	1.3
193.08595	5.5
194.09390	1.8
195.10181	60.4
196.10577	1.0
207.06496	1.8
207.10208	3.9
207.13770	4.4
210.08920	1.3
225.09122	0.4
225.11217	11.0
225.14752	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	225.1123
Annotation	Myxostiol
Peak:m/z	Relative Intensity
53.03940	1.0
55.01865	0.8
55.05510	2.7
56.96551	1.3
57.03429	1.4
57.07067	0.9
58.47875	0.4
60.46376	0.4
65.03922	0.7
67.05511	3.8
68.99770	0.7
69.03448	2.6
69.07076	2.2
70.38004	1.7
71.01344	0.5
71.04987	3.5
77.03930	0.6
79.05502	5.2
81.03407	1.3
81.07066	4.7
83.04976	5.8
83.08610	1.4
85.02902	2.4
85.06544	0.8
91.05487	10.9
93.07056	5.0
94.75337	0.5
95.04974	5.9
95.08602	5.8
97.02882	0.6
97.06538	2.9
98.97596	2.8
99.04475	4.5
103.05464	2.4
105.03407	1.3
105.04523	0.5
105.07037	8.3
106.04138	0.7
107.04974	2.8
107.08603	7.9
108.05732	0.7
109.06525	7.6
109.10163	3.3
111.04468	1.2
115.03915	0.8
115.05433	0.6
116.98570	0.6
117.07021	0.9
118.04171	0.8
119.04948	5.0
119.08575	4.7
120.05722	1.7
121.02859	0.6
121.06507	7.1
121.10171	4.9
122.07310	0.9
123.04425	2.6
123.08074	7.2
123.11705	1.8
125.06023	4.1
125.09596	1.3
128.06192	0.7
131.04953	0.9
131.08577	1.3
133.02855	1.6
133.06491	3.1
133.10132	2.6
134.03703	0.6
134.07292	0.8
135.04402	1.6
135.08063	5.3
135.11682	3.8
136.05197	1.9
137.05988	8.9
137.09575	2.4
138.06764	3.0
139.07521	0.8
141.09103	1.4
143.08521	1.2
145.10118	1.0
147.04422	3.0
147.08093	1.2
147.11685	3.2
148.05196	22.3
149.05991	8.4
149.09636	3.8
150.06766	3.1
151.03931	2.7
151.07565	8.1
151.11197	0.7
152.08261	0.6
153.09097	0.5
155.07141	0.5
157.07562	0.7
158.99646	1.1
159.05026	0.5
159.11743	0.8
161.05992	2.2
161.09622	0.8
161.13243	3.3
163.03842	0.7
163.07568	5.8
163.11176	5.4
164.08347	17.9
164.87419	0.4
165.05490	8.0
165.09143	4.6
165.12776	2.0
166.06247	1.7
167.07004	1.4
167.10683	1.8
169.08646	1.0
171.11658	1.0
175.03925	3.5
176.08354	3.9
177.05534	0.7
177.12750	1.3
179.07068	3.5
179.14340	0.9
180.04338	0.9
180.07826	19.7
181.08600	100.0
182.08955	1.5
183.06496	0.8
183.13821	1.3
185.08269	0.7
189.12756	3.9
192.04140	0.5
193.04935	0.6
194.09209	1.8
195.10179	66.3
196.10480	0.9
207.06502	4.3
207.10110	3.2
207.12045	0.8
207.13779	6.5
210.08824	0.5
225.07549	0.7
225.11211	6.7
225.14798	7.7
230.23222	0.5
245.59596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.3
53.03944	0.3
55.01876	1.9
55.05493	0.5
57.07074	0.4
64.78194	0.3
65.03932	0.5
67.05489	0.7
69.03425	1.9
69.07069	0.4
71.04543	0.2
71.04988	0.6
71.58308	0.3
79.05495	0.5
81.03398	0.4
81.07047	0.9
83.01339	1.3
83.08607	0.7
91.05481	7.8
95.04958	1.0
95.08593	0.9
97.02863	0.6
99.04446	0.7
99.62881	0.2
101.95014	0.9
103.05484	1.7
105.03397	1.5
107.04940	0.6
107.08567	0.3
107.88361	0.2
109.06485	0.4
115.05441	2.4
117.07004	0.9
119.04948	0.7
119.08532	0.3
121.02868	1.9
121.10179	0.3
123.04405	0.3
123.08105	0.4
123.11648	0.3
128.06230	2.1
129.07013	1.7
131.04921	1.0
134.03635	1.2
141.06998	12.9
143.08627	0.4
147.04402	1.5
152.06212	1.2
153.06978	2.8
154.07776	4.6
155.04846	0.4
155.08540	1.4
157.06491	0.5
165.06981	1.5
166.07774	0.7
167.08583	1.6
169.10178	1.7
177.07010	0.5
178.07785	16.6
179.08565	21.3
181.06503	4.2
182.07285	6.7
183.08084	0.4
183.11702	0.5
189.06963	0.3
195.08081	0.4
197.09628	2.4
207.08015	1.8
207.13829	0.3
210.06747	1.4
225.09114	100.0
226.09488	1.9
227.03984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0911
Annotation	1-Methoxy-2-hydroxyanthracene
Peak:m/z	Relative Intensity
52.44610	0.2
55.01871	1.4
57.07071	0.4
58.17541	0.2
59.04992	0.5
61.01775	0.2
65.03935	0.6
67.05489	0.6
69.03439	1.6
70.70249	0.2
71.46657	0.4
76.86681	0.2
81.03397	0.4
81.07063	0.5
83.01344	1.6
83.08620	0.3
85.02908	0.2
88.46838	0.2
91.05488	6.4
93.03387	0.3
95.04955	0.7
95.08592	0.5
97.02891	1.0
99.04446	0.4
101.95009	0.7
103.05462	1.1
105.03419	1.1
107.04996	0.3
107.08606	0.3
107.47147	0.3
109.02930	0.2
115.03896	0.3
115.05459	1.6
117.07006	0.7
119.04923	0.6
119.96024	0.4
121.02877	1.6
121.06470	0.2
121.10126	0.3
123.04414	0.3
128.06221	1.6
129.07018	2.0
131.04924	0.7
134.03618	1.5
141.06995	11.6
143.08543	0.4
147.04413	1.1
152.06201	0.9
153.07016	2.4
154.07773	4.4
155.04913	0.8
155.08556	1.4
164.60605	0.2
165.07033	1.3
166.07855	0.3
167.08548	1.5
167.10733	0.2
168.09288	0.3
169.06459	0.3
169.10115	1.9
175.03900	0.3
177.07030	0.5
178.07787	15.1
179.08568	18.9
180.09161	0.2
181.06461	3.4
182.05663	0.4
182.07277	6.7
183.08052	0.6
183.11667	0.4
189.12758	0.2
195.08043	0.4
197.09639	1.9
207.06410	0.3
207.08061	1.7
207.13882	0.2
210.06757	1.5
225.09116	100.0
226.09442	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96287	1.4
56.96569	23.6
68.04433	1.3
69.83858	4.8
69.84263	2.4
71.95242	2.6
82.99844	4.5
84.96040	33.9
97.93790	1.2
98.97590	32.0
101.00264	2.0
101.00890	32.2
102.97040	1.2
104.20005	1.2
116.98633	18.6
119.01929	66.1
124.02452	1.5
133.32336	1.2
134.99741	6.9
136.99109	3.2
137.02969	14.0
138.01120	1.2
140.98820	3.5
141.96935	1.2
142.03520	9.9
152.21342	1.2
155.00156	5.4
157.03436	1.5
158.99911	14.0
161.02965	3.7
161.05753	1.1
164.27682	1.3
164.98604	3.7
165.36108	1.1
172.94418	1.2
173.01244	3.8
173.20129	1.2
175.03152	1.8
177.00967	100.0
178.01053	4.4
179.04002	4.8
182.65001	1.3
182.99673	23.8
190.49496	2.1
198.86517	1.2
199.50053	2.2
201.00769	37.5
201.02473	3.1
217.04094	12.4
219.02005	94.2
220.02101	8.4
225.00653	5.9
225.04390	1.7
243.01973	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	223.2058
Annotation	(2E,6E)-Farnesol
Peak:m/z	Relative Intensity
53.03955	4.1
55.01865	3.1
55.05515	67.8
56.96571	15.6
57.03438	2.5
57.07080	24.5
59.05003	5.0
67.05511	25.2
68.99777	3.5
69.07072	49.1
70.06610	2.0
71.04995	8.3
71.08630	3.0
71.56043	2.3
75.49364	1.9
79.05494	15.8
81.03411	5.7
81.07063	54.3
81.07523	4.2
83.04996	4.7
83.08630	24.9
85.02895	3.4
85.06537	6.9
89.62694	2.0
91.05475	11.3
93.07059	35.0
95.04988	11.0
95.08616	45.0
97.02293	2.0
97.06545	7.3
97.10177	100.0
98.97623	4.1
99.08125	4.8
105.07039	12.6
107.04949	6.0
107.08602	32.0
109.06550	3.5
109.10167	49.1
111.04434	3.0
111.08105	4.0
111.11695	4.0
113.09661	2.1
117.81599	1.8
119.08604	8.3
121.02808	2.1
121.06525	5.3
121.10157	20.0
123.08073	3.0
123.11720	50.1
125.06021	3.3
125.09638	6.1
127.11173	3.1
129.07004	2.4
131.08597	5.0
133.10152	3.0
135.04529	3.1
135.08058	5.2
135.11711	29.6
137.05893	1.9
137.09604	3.7
137.13280	5.0
139.03912	8.5
139.07541	4.6
141.12740	10.5
145.06480	1.9
145.10075	5.3
147.11725	4.0
149.02332	11.1
149.05994	3.3
149.09634	4.3
149.13272	46.5
150.13699	3.3
151.11270	2.2
152.06137	2.4
153.12735	17.8
158.99750	2.5
159.11661	4.7
163.03932	6.6
163.11263	9.5
163.14854	6.9
165.01833	4.4
165.06915	4.3
165.09100	2.4
165.12784	2.1
167.07080	3.4
167.14389	2.6
174.08949	2.0
177.00775	4.4
177.05441	2.4
177.09055	2.2
177.12767	10.4
177.16403	3.2
179.08563	2.1
180.09369	4.3
181.10153	2.7
181.12352	2.1
187.14867	2.8
190.02655	3.2
193.10197	4.7
194.94682	2.6
195.08083	5.4
199.15254	2.1
205.05011	3.4
205.12241	8.3
205.15910	4.6
205.19572	31.7
207.02965	3.9
208.03659	2.7
223.05891	18.7
223.07933	3.0
223.11195	4.2
223.13168	34.2
223.14748	4.8
223.16946	8.4
223.20555	43.2
224.13550	2.2
224.16414	2.2
225.04321	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	223.1694
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
53.03939	2.0
55.01862	4.1
55.05516	8.9
55.42348	1.1
55.47461	1.4
56.05024	1.6
56.96572	9.3
57.07059	4.1
59.05006	1.8
60.95847	1.3
67.05217	1.1
67.05502	12.8
68.05837	1.4
69.03421	3.7
69.07072	18.5
69.67822	1.2
71.04998	16.9
77.03911	1.6
79.05495	15.8
81.03404	3.5
81.06647	1.7
81.07068	25.2
82.07381	1.5
83.04976	13.9
83.08643	5.2
84.96037	1.2
85.02890	1.2
85.06540	3.6
85.68297	1.0
91.04956	1.9
91.05483	26.8
91.11956	1.0
92.05795	1.2
93.07048	35.7
95.04976	9.2
95.08046	1.8
95.08611	26.0
96.08934	3.3
97.02882	1.1
97.06525	5.9
98.97545	1.6
99.04479	1.8
99.08088	3.8
103.05363	1.1
105.07050	20.7
106.07354	1.5
107.04967	10.6
107.08604	39.8
108.05250	1.0
108.08910	2.5
109.06503	5.9
109.10164	20.5
110.10493	2.2
111.04420	2.0
111.08073	5.5
111.10876	1.0
111.11700	2.1
113.05964	1.4
115.05477	1.3
117.07022	5.4
119.07819	1.2
119.08597	20.1
120.08912	3.6
121.06520	12.4
121.09297	2.9
121.10137	22.1
122.10507	1.3
123.04408	1.4
123.08077	7.6
123.11700	4.4
125.05985	2.2
125.09635	10.1
126.01069	2.4
127.11177	4.7
130.07744	1.3
131.08571	10.2
133.10136	20.9
134.10477	2.6
135.04410	1.6
135.08072	9.2
135.11705	20.0
137.02290	1.5
137.06010	2.3
137.09607	9.6
137.13199	1.1
138.06717	3.1
139.03896	2.0
139.07542	2.8
139.11084	1.3
143.08517	2.3
145.06491	1.4
145.10130	19.9
147.08054	2.7
147.11702	12.8
148.11992	2.3
149.02351	10.6
149.06012	1.3
149.09625	13.3
149.12277	2.9
149.13269	3.6
151.11188	11.8
153.09084	3.9
153.12714	2.1
159.11678	5.0
161.09708	1.3
161.13286	10.5
162.03104	1.4
162.10432	5.6
162.13618	1.1
163.03894	4.5
163.11203	19.5
163.13644	1.4
163.14857	25.4
164.06999	1.1
165.01791	1.7
165.07047	2.0
165.09077	1.7
165.12804	5.5
167.03394	1.7
167.07085	2.2
167.08473	1.9
167.10660	3.7
168.35313	1.0
177.00673	2.6
177.05457	3.8
177.12743	3.4
177.16463	7.6
179.08641	1.3
180.04352	6.3
180.09285	1.8
180.11420	10.2
181.10106	2.2
181.12230	4.7
187.11227	2.0
187.14819	13.5
190.02629	1.7
192.07748	1.2
193.10165	4.0
195.11670	1.3
205.04901	3.3
205.07553	2.7
205.12233	5.4
205.15883	76.5
205.18584	8.7
206.16183	1.6
208.12393	2.3
223.05882	13.6
223.07822	2.5
223.11171	3.6
223.13217	9.6
223.14996	6.8
223.16920	100.0
224.17296	1.5
225.04333	6.4
243.05643	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1694
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
55.05516	17.5
56.96571	2.4
57.07056	4.6
59.04989	4.5
62.12360	1.1
67.05228	1.2
67.05512	12.2
69.07076	43.3
69.67939	8.3
71.04996	21.0
79.05495	11.1
81.07063	49.9
81.37324	1.1
83.04987	5.8
83.08633	10.5
83.41188	1.1
85.06544	6.5
89.15777	1.1
91.05497	7.3
93.07053	30.9
95.04955	1.5
95.08613	47.8
97.06551	7.4
97.10174	15.8
99.04437	2.5
99.08071	1.4
103.96453	1.2
105.07040	17.8
107.08607	33.8
109.06505	3.5
109.10165	25.3
111.08054	2.7
113.09623	3.3
117.06972	2.0
119.08588	9.3
121.06493	1.9
121.09315	2.3
121.10152	39.9
123.08099	4.2
123.11704	13.1
125.09631	4.4
131.08578	8.8
133.10110	2.0
135.08063	5.0
135.11740	9.6
137.09645	2.0
137.13269	17.8
139.11151	1.7
145.10117	11.4
147.11694	26.2
149.02309	3.0
149.09666	6.8
149.13248	5.3
150.02364	1.7
153.09102	4.7
153.12723	7.4
159.02919	1.4
163.11232	6.5
163.14824	4.6
163.78348	1.1
164.02078	2.2
165.12761	16.5
167.10670	4.3
175.52939	2.9
177.16399	10.6
181.15819	1.7
187.14767	7.4
205.04970	1.8
205.15909	25.7
205.19469	2.1
210.73788	1.2
221.27353	1.3
223.05988	4.2
223.16939	100.0
223.20557	5.9
224.17337	2.5
231.73373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
54.62555	0.5
55.01864	2.7
55.05515	63.5
55.74187	0.5
56.05037	0.7
56.05866	0.7
56.96567	5.4
57.03434	1.1
57.60748	0.5
58.99587	4.3
59.04995	0.7
60.04528	0.7
60.79599	0.6
65.03952	0.6
67.05521	3.5
69.03432	1.7
69.07070	2.3
70.06594	2.5
70.09400	2.2
71.05004	0.9
72.51087	0.5
73.02912	1.1
76.02216	1.4
79.05493	2.3
81.03421	1.4
81.07060	1.8
82.06592	1.1
83.04973	1.6
83.08626	100.0
84.08165	1.0
84.12777	0.6
85.02915	1.7
86.06077	0.8
86.86296	0.5
86.99055	5.7
88.02197	0.5
88.04003	0.5
91.05487	2.8
91.29053	0.5
93.07063	2.6
94.06577	1.1
95.04978	2.1
95.08598	1.3
96.08147	5.1
97.02898	1.6
97.06535	0.9
97.08506	0.6
98.21419	0.7
98.97591	13.0
101.09666	12.9
103.05479	7.9
105.00101	8.4
105.07037	2.9
106.07336	0.7
107.04967	0.8
107.08602	1.7
108.08090	0.7
109.02888	0.7
109.06478	1.0
109.10194	0.5
110.09664	1.3
110.97600	1.3
115.52090	0.6
116.07134	1.0
116.98648	5.1
117.07050	0.7
119.01818	1.1
119.08604	2.4
120.08114	1.7
121.02847	0.6
121.06520	1.9
121.10204	1.4
122.02767	0.9
122.06039	1.1
123.08100	0.8
126.05539	0.7
126.09190	3.2
128.02281	0.8
128.98618	1.5
130.06560	0.8
131.04935	13.4
133.10159	1.0
134.06033	0.8
134.99680	1.6
135.08031	0.9
136.06201	8.8
136.07254	0.9
136.07610	0.8
136.11253	1.7
137.05981	2.7
138.09157	10.7
143.00188	1.0
146.99716	1.4
147.08066	1.2
147.11679	0.8
148.06215	3.5
148.07503	1.5
149.03496	0.6
149.06021	0.9
149.09641	1.1
152.10722	1.5
157.05069	0.9
158.99689	4.6
159.08412	1.2
161.05981	1.0
161.08340	1.0
162.05382	1.0
162.06488	1.1
162.09138	1.5
162.43135	0.6
163.07585	7.2
163.11172	0.6
168.38283	0.6
173.01256	0.7
176.07115	1.9
176.09196	0.9
176.10629	1.0
177.00740	3.1
177.05478	3.3
180.00644	0.7
180.10205	35.8
187.54189	1.4
189.07901	1.1
190.08722	1.8
192.05301	0.8
192.07838	2.7
193.05209	0.6
194.11919	0.8
204.06827	0.9
204.10321	1.1
204.12361	1.0
204.14096	0.7
205.08958	14.4
207.08965	2.2
219.01811	0.7
222.08009	3.7
222.11345	21.8
222.13556	13.4
222.15059	2.4
223.09677	0.9
223.13371	1.5
230.03329	0.8
242.25482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	(Z)-Lanceol
Peak:m/z	Relative Intensity
52.20949	1.0
52.38130	1.0
55.01879	5.9
55.05512	10.0
56.96552	4.1
57.07058	3.6
59.04998	1.7
67.05225	1.2
67.05511	13.3
69.03426	1.3
69.06725	1.5
69.07076	23.7
69.07442	1.3
70.51499	2.7
71.04997	10.3
79.05491	6.9
81.07063	28.7
83.08633	5.0
85.06537	3.6
85.92187	1.1
91.05492	5.3
93.07050	11.9
95.01316	1.6
95.04973	3.3
95.08620	24.3
97.06556	8.2
97.10165	1.8
99.08105	2.0
105.07034	17.0
107.08601	24.5
109.06528	7.9
109.10164	20.1
111.08102	1.7
113.09650	15.2
117.07021	1.7
119.08583	15.7
121.10139	8.7
123.00784	3.2
123.08067	1.5
123.11716	23.0
125.09641	7.3
127.11199	1.1
133.10144	10.3
135.11703	15.8
137.09631	8.1
137.13258	4.4
139.11172	1.7
143.13283	1.0
145.10133	1.7
147.08022	1.7
147.11693	19.4
149.13278	7.3
151.11201	8.3
152.11964	5.8
153.12752	1.4
160.12329	1.0
161.05975	2.2
161.13292	9.3
163.14839	6.3
165.12680	1.7
174.54517	1.4
175.14877	1.7
177.16376	3.0
179.14299	1.7
179.17981	4.0
183.55118	3.3
197.04622	2.9
197.54877	4.7
203.07022	3.5
203.17987	17.5
221.19020	100.0
222.19388	1.5
231.01901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03945	3.0
54.20445	1.9
55.05517	14.1
56.96558	4.0
57.07061	7.8
60.41063	2.1
67.05512	16.9
68.19317	2.0
69.03423	4.1
69.07069	32.6
70.60497	5.0
70.60886	4.0
71.04981	4.9
71.08641	3.6
79.05501	11.5
81.07059	77.9
83.08614	9.5
85.06536	3.7
91.05489	14.7
93.07046	30.9
95.04987	3.2
95.08609	58.4
97.06519	19.7
97.10184	2.8
99.08116	2.6
105.07038	43.7
107.08595	46.7
109.06509	9.6
109.10162	40.4
111.08104	12.3
111.11720	5.4
119.08591	40.4
120.08929	2.0
121.10142	27.3
123.08060	10.8
123.11738	16.6
125.09671	5.4
131.08510	3.5
133.10130	28.0
135.11679	15.5
137.09622	16.9
137.13248	18.0
147.11699	52.7
149.13287	6.8
151.11211	4.0
155.92857	2.0
160.12527	2.4
161.13281	23.7
163.14890	13.6
165.12761	11.9
175.14841	8.7
177.16367	7.8
178.03760	3.3
187.04192	13.1
189.54483	5.7
198.55031	19.5
203.17964	64.1
221.08058	2.2
221.15533	6.6
221.19017	100.0
242.31490	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	221.1901
Annotation	[1S-(E)]-4-(1,5-Dimethyl-4-hexenylidene)-1-methyl-7-oxabicyclo[4.1.0]heptane
Peak:m/z	Relative Intensity
55.05512	16.0
57.07080	3.3
59.05017	1.8
67.05517	3.9
69.03460	1.3
69.07072	100.0
69.85544	3.6
70.07386	0.7
73.06561	2.0
79.05494	1.7
81.07066	11.2
83.05003	1.2
83.08621	2.1
83.31378	0.6
86.92661	0.7
91.05490	1.2
93.07053	5.6
95.08605	7.7
97.06535	2.8
97.10172	1.3
98.77129	0.6
105.07023	4.9
105.86447	0.6
107.08596	6.8
109.06506	5.9
109.10161	8.6
111.08092	4.2
111.11726	38.8
119.08590	4.8
121.10165	6.7
123.08076	4.0
123.11706	2.1
126.39085	0.7
133.10175	2.0
135.11696	3.1
137.09583	4.1
137.13220	1.1
147.11702	6.6
149.13258	6.6
151.11238	1.7
161.13249	1.8
163.14839	6.0
165.12816	3.2
203.17967	10.0
221.19022	55.2
222.19199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.87993	1.1
55.05510	13.2
57.07069	3.8
67.05503	6.0
69.07071	100.0
70.60571	4.1
71.04989	5.0
71.08617	1.5
73.06582	2.0
79.05494	6.0
81.07062	25.8
81.84303	1.2
83.04973	2.5
83.08627	3.3
85.06541	1.5
91.05490	3.6
93.07042	14.5
95.08617	15.9
96.43638	1.3
97.06525	3.8
105.07040	13.0
107.08593	15.6
109.06536	5.5
109.10133	11.7
111.08085	3.8
111.11731	33.1
119.08577	18.6
121.10142	11.7
123.08073	3.9
123.11727	4.6
127.11191	1.6
133.10121	8.7
135.11705	14.6
137.09633	5.5
147.08076	1.3
147.11674	12.4
149.13263	8.1
151.11223	3.3
161.13290	5.3
163.14836	5.3
164.98915	1.2
165.12779	4.5
175.14865	2.5
177.07753	1.3
203.07062	3.2
203.17978	20.8
221.13402	1.7
221.15753	2.3
221.19040	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.19487	3.1
50.64391	3.5
55.05502	13.6
57.07063	4.3
59.30964	3.4
67.05512	17.0
69.07092	21.9
69.56355	8.9
69.56776	15.6
71.05004	38.5
73.58235	3.0
79.05502	28.7
79.19205	3.4
81.07064	100.0
83.08613	5.1
85.85944	3.5
91.05466	13.5
93.07050	59.0
95.08620	48.8
97.06522	8.2
98.20812	6.6
99.08128	4.0
105.07055	50.4
107.08604	59.8
109.06492	5.7
109.10165	40.0
111.11774	5.0
117.07032	4.8
119.08595	80.7
121.10176	21.1
123.11721	19.8
125.09636	3.2
127.11236	6.0
133.10152	44.9
135.11703	80.7
139.05655	3.4
147.11691	40.2
149.13239	13.5
161.13274	15.9
162.53148	3.8
163.14771	5.0
165.12869	5.4
175.14822	15.3
203.07060	25.0
203.17972	74.7
221.19037	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	[1S-(E)]-4-(1,5-Dimethyl-4-hexenylidene)-1-methyl-7-oxabicyclo[4.1.0]heptane
Peak:m/z	Relative Intensity
53.03930	0.9
55.05513	16.0
55.83543	0.6
57.07077	3.0
57.90633	0.7
59.05002	1.8
67.05498	3.8
69.03450	1.0
69.07069	100.0
70.07381	0.7
73.06560	2.9
79.05510	1.4
81.07055	13.6
83.04979	0.8
83.08627	2.8
86.23205	0.6
90.64780	0.7
91.05472	1.0
93.07059	5.2
93.79396	0.7
95.08611	8.8
97.06535	2.9
97.10200	1.3
105.07043	4.9
107.08593	7.2
109.06528	5.6
109.10163	10.2
111.08081	4.7
111.11722	38.8
119.08622	4.5
121.10140	7.2
123.08078	3.2
123.11729	2.3
133.10143	2.9
135.11685	3.6
137.09596	3.5
137.13229	0.7
147.11684	6.3
149.13260	5.4
151.11205	2.5
161.13278	2.2
163.14810	5.7
165.12759	3.1
175.14839	1.5
203.07156	0.7
203.17963	9.2
221.19008	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05514	22.1
57.07072	3.6
62.17128	3.3
67.05496	25.7
69.03403	5.2
69.07070	66.6
71.01482	6.3
71.04996	5.3
79.05495	15.2
81.07059	100.0
83.04977	9.0
83.08585	7.0
91.05463	12.9
93.07051	32.6
95.08050	6.0
95.08614	88.8
97.06547	52.6
97.10168	12.9
99.08084	3.7
105.07035	45.3
107.08604	45.7
109.06550	5.5
109.10157	64.2
111.08090	30.4
111.11720	55.4
119.08587	39.9
121.10177	24.4
123.11727	23.8
125.09628	19.9
133.10141	16.6
135.11690	15.0
137.13269	7.1
147.11687	47.8
149.13274	10.5
161.13290	23.9
163.14844	29.3
165.12816	4.8
175.14812	14.5
177.16467	6.2
203.07065	23.6
203.17961	84.8
221.08089	10.3
221.19026	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	(Z)-Lanceol
Peak:m/z	Relative Intensity
55.05504	8.1
56.96556	2.8
57.07082	3.2
58.87777	2.5
67.05524	14.2
67.43777	2.7
69.07085	12.5
69.65119	17.2
70.27036	2.4
71.04639	3.9
71.04998	43.3
72.73499	2.7
79.05500	20.3
81.07063	100.0
91.05502	16.0
93.07055	58.1
95.08615	34.9
97.06507	4.1
97.10165	4.7
105.07040	50.6
107.08607	59.0
108.08982	2.6
109.06507	3.5
109.10179	24.9
113.09628	4.4
117.07097	3.5
119.08595	93.6
121.10144	8.6
123.11663	15.0
127.11201	9.3
133.10121	22.2
134.43745	2.6
135.11700	89.6
137.09560	3.0
145.10156	2.8
146.46825	2.8
147.11690	29.7
149.13239	18.3
151.11310	2.5
161.13190	12.1
163.14845	7.7
175.14771	3.2
189.13249	3.0
203.07024	6.1
203.17967	52.5
221.15677	3.5
221.19037	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03944	1.9
55.05261	1.8
55.05512	21.9
56.96560	1.9
57.07069	8.1
59.04987	1.8
65.88766	1.6
67.05512	16.5
69.03423	5.6
69.07073	56.6
69.98804	5.4
69.99220	3.7
71.04989	8.3
71.08627	2.0
75.93623	1.7
79.05474	11.7
81.07063	86.0
83.04978	4.6
83.08627	8.0
83.83812	1.8
85.06553	4.1
91.05500	13.0
93.07051	26.1
95.04974	2.7
95.08616	66.4
97.06537	28.4
97.10162	5.5
98.21525	1.9
102.46974	1.6
105.06377	3.3
105.07043	44.7
107.08601	39.4
109.06509	6.8
109.10169	43.5
111.08099	18.9
111.11739	25.0
112.26282	1.6
113.09656	2.1
119.07783	3.0
119.08596	40.2
121.10153	22.3
123.08073	8.2
123.11721	14.9
125.09627	7.8
131.08569	3.7
133.10132	26.7
135.11716	14.1
137.09642	10.0
137.13264	19.4
144.95135	1.7
145.10149	2.2
147.11694	47.0
147.12784	3.6
149.13255	11.0
151.11133	1.8
159.11708	1.9
161.09668	2.1
161.13260	19.0
163.14844	15.9
165.12738	7.8
175.14796	10.9
177.16423	5.2
193.19438	1.8
203.06995	4.8
203.14191	3.1
203.17976	70.6
206.10751	1.7
214.25891	1.7
221.08125	2.9
221.19017	100.0
240.16599	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03954	1.4
55.05521	9.1
57.07058	3.0
59.49918	1.4
67.05509	18.2
69.06779	1.4
69.07079	15.4
69.58144	9.6
69.58537	3.3
71.04985	4.9
79.05493	10.3
81.07065	37.7
82.54617	1.7
83.04984	1.9
83.05698	1.5
83.08610	5.3
85.06512	1.8
91.05495	13.7
93.07050	25.5
95.08614	66.1
97.06518	3.3
97.10173	3.6
105.07045	52.0
107.07870	2.6
107.08603	47.6
109.06516	2.5
109.10162	38.6
111.08075	2.0
111.11717	2.1
117.06956	1.8
119.08591	100.0
121.10158	21.3
122.00910	1.6
123.08102	2.2
123.11707	13.4
125.09664	1.6
126.19021	1.7
133.10136	40.2
135.11700	5.7
137.09583	2.8
137.13255	2.7
145.10117	2.1
147.11700	53.7
149.13258	5.0
151.11177	1.8
159.11694	1.8
161.13272	27.8
163.14827	16.8
165.12761	2.3
170.94713	1.5
175.13306	1.7
175.14828	35.6
203.07057	4.3
203.17969	99.4
204.18285	1.7
215.58926	1.6
221.04440	2.4
221.07976	2.1
221.19023	34.1
224.34021	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.83746	2.4
55.05516	19.1
56.96557	6.3
57.07069	8.7
67.05511	16.4
69.07072	81.4
69.54791	3.9
69.55199	12.3
71.04999	15.5
79.05496	20.6
81.07063	100.0
83.04960	3.0
83.08609	9.9
85.06556	5.8
91.05476	19.9
93.07048	49.2
94.83717	2.9
95.08610	60.7
97.06540	8.7
97.10148	2.5
98.21380	3.9
99.08098	3.0
103.98722	2.5
105.07039	47.6
107.08598	51.6
109.06528	7.0
109.10165	46.2
111.08091	9.3
111.11732	67.4
113.09698	3.0
119.08584	56.7
121.10162	24.4
123.08029	6.1
123.11723	19.7
125.09681	2.7
127.11218	3.9
131.08568	2.6
132.34421	2.5
133.10123	23.5
133.83345	2.8
135.11717	36.6
137.09618	8.0
137.13300	7.5
139.11154	3.0
147.11693	45.4
149.13284	15.3
151.11160	2.7
152.99400	2.4
156.92876	2.4
161.13275	14.7
163.14842	8.6
165.12770	5.2
175.14865	7.7
177.16278	4.5
177.72752	2.5
189.13202	4.2
203.14326	3.6
203.17961	58.5
203.19722	4.7
221.04520	3.5
221.15471	7.0
221.19025	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	beta-Chamigrene-10-ol
Peak:m/z	Relative Intensity
55.05511	10.8
57.07084	5.9
59.04986	1.1
67.05221	1.2
67.05507	14.4
67.97355	1.2
69.07076	27.7
69.78091	3.3
69.78506	4.7
71.04984	4.3
71.08646	2.5
78.02264	1.2
79.05492	8.7
81.07064	42.8
83.04987	2.8
83.08630	6.3
85.06577	1.6
91.05469	7.4
92.09204	1.2
93.07053	15.3
95.04967	1.3
95.08616	39.3
97.06533	10.9
97.10159	3.4
98.20670	1.3
99.08080	3.4
104.80759	1.3
105.07046	20.7
107.08603	27.5
109.06524	8.4
109.09459	2.1
109.10165	29.1
111.08093	9.7
111.11721	4.0
117.07079	1.9
117.11028	1.7
119.08592	23.2
121.10159	16.6
123.08076	3.3
123.11730	10.6
125.09635	2.1
125.42696	1.3
132.04466	1.4
133.10136	13.5
135.11702	10.3
137.09637	8.5
137.13292	6.5
147.11690	30.1
149.13266	7.6
151.11205	2.7
153.21272	1.4
160.23868	1.2
161.13274	14.9
163.14839	13.8
165.12810	6.4
175.14807	4.5
177.16364	8.1
189.13123	1.8
203.07080	9.2
203.17978	39.8
221.08101	4.2
221.15518	2.8
221.19019	100.0
222.19269	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.02384	1.2
55.05522	8.3
56.05014	1.1
56.05837	3.0
56.96568	19.1
57.03429	3.2
57.05373	1.8
61.02935	2.1
65.03947	1.7
67.05508	3.1
68.05838	1.4
69.03423	4.6
69.72386	1.1
69.91039	4.1
71.04996	7.0
71.95255	1.3
72.04522	2.6
72.05326	1.2
72.08152	1.6
73.02914	3.5
73.06561	6.5
73.06911	1.1
73.08522	1.5
74.06886	1.3
77.34420	1.1
81.03433	2.1
82.02944	2.8
82.84601	1.1
83.04984	6.1
84.05311	4.3
84.08141	4.6
84.96028	1.4
85.02914	5.9
85.08465	3.7
86.06853	1.4
91.05493	1.8
94.06571	4.7
97.02909	6.5
97.06541	5.5
98.06873	5.5
98.09691	3.7
98.20827	2.3
98.97586	35.7
99.10016	5.7
102.06369	1.6
102.96867	1.7
104.03091	2.8
109.02873	1.3
110.01248	1.6
110.97572	4.7
111.04433	4.3
111.10020	1.7
112.04787	4.3
115.07528	1.8
116.07892	4.0
116.10731	17.5
116.98634	8.6
117.03890	1.3
117.11077	23.3
119.04946	1.4
124.61861	1.1
125.03603	1.8
125.05994	2.1
126.06333	4.3
128.10721	7.4
128.98607	2.9
129.02272	1.8
129.11064	14.8
130.06535	80.4
131.00227	1.6
132.04457	42.1
132.25789	1.3
134.99651	1.3
137.05989	3.3
142.10080	1.1
143.00243	1.7
143.07028	9.1
144.07382	15.3
146.04149	3.9
146.99464	1.2
147.03281	3.2
147.04378	2.7
148.07573	2.6
149.01247	1.8
155.04663	38.7
155.54837	9.3
156.04767	1.6
157.07620	37.9
157.10529	4.5
158.06017	86.5
158.99669	9.2
161.01181	2.3
164.05205	11.1
164.55443	1.8
165.04366	2.7
166.55429	1.5
175.08673	100.0
176.07042	2.5
176.08974	1.3
177.00800	5.3
179.02237	2.2
181.05023	1.4
184.04877	1.7
186.05446	1.8
188.12831	4.3
189.13170	35.1
203.08203	13.7
204.06609	3.0
209.05391	1.2
219.01794	1.3
221.03171	1.4
221.09241	18.2
221.15849	30.8
222.05835	1.1
237.02750	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0809
Annotation	Isoeugenitin
Peak:m/z	Relative Intensity
55.01855	0.3
55.05501	0.7
56.82901	0.3
56.96555	0.5
59.74576	0.3
61.56863	0.3
67.05498	0.6
68.79834	0.3
69.07062	1.0
69.40435	1.8
69.40845	0.5
71.04987	0.9
79.05498	0.8
81.07060	3.2
91.05469	0.5
93.07053	1.4
95.08613	2.8
98.97585	0.8
105.07025	2.1
105.45477	0.2
107.04948	0.3
107.08585	2.2
109.06594	0.3
109.10159	1.3
118.65375	0.2
119.08600	2.8
121.10161	0.7
123.08055	0.4
123.11698	0.7
133.06522	0.4
133.10162	1.4
135.03378	0.6
135.04420	12.6
135.11661	1.5
147.11697	1.8
149.02292	0.5
149.05936	0.4
149.13268	0.3
150.06778	1.1
151.03915	3.7
154.56024	0.3
158.99612	0.4
159.11687	0.3
161.05963	0.8
161.13297	0.8
163.03918	4.7
163.14847	0.5
173.01222	0.5
175.14815	0.8
177.05469	5.7
178.06255	13.0
191.03416	5.1
191.11914	0.4
202.09192	0.3
203.07002	0.3
203.14154	0.3
203.18019	3.3
205.05003	0.4
206.05753	66.0
207.06076	0.9
221.08096	100.0
221.19052	2.3
222.08411	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	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.05510	0.2
57.03437	0.2
58.06578	0.1
59.14428	0.1
60.76891	0.1
63.37403	0.1
67.05503	0.3
69.29623	1.3
71.04964	0.2
81.07048	0.2
83.04982	0.5
84.08133	0.2
86.00650	0.1
90.05548	0.2
91.05470	0.3
93.05724	0.2
97.06519	0.4
98.09705	0.4
98.97585	0.5
103.44190	0.2
105.07020	0.5
106.06543	0.2
107.08582	0.2
110.09729	0.2
111.04434	0.4
116.10731	1.4
118.06550	10.4
119.07323	0.4
119.08574	0.2
125.05974	0.2
128.10699	0.6
132.08084	3.0
132.08989	0.3
133.08875	1.2
133.10213	0.2
134.09630	0.6
135.08040	0.5
139.03072	0.1
143.07025	0.8
144.08064	0.5
146.09627	3.0
146.10721	0.2
147.10455	0.3
148.11224	0.2
156.10233	0.2
158.99727	0.1
160.11203	0.5
161.11958	0.3
162.09151	6.0
174.09164	0.2
174.12784	0.2
176.10776	4.3
176.14352	29.1
177.11497	1.7
177.14684	0.5
178.12198	0.2
188.12840	1.2
190.06087	0.2
190.12270	3.3
191.13013	0.3
195.81699	0.2
202.15776	1.0
204.13843	0.2
205.15880	0.2
220.16977	100.0
221.17337	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	220.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46321	1.2
55.01878	2.1
55.05517	15.7
56.05032	5.0
56.96569	1.5
56.97367	1.4
57.03434	5.0
57.07073	5.4
58.06598	3.1
59.05016	6.2
60.04526	2.8
61.02924	2.0
65.03959	3.1
67.05514	12.1
68.20719	1.3
69.03424	2.7
69.07073	3.5
70.02966	2.8
70.06574	3.1
71.04999	5.8
71.07395	2.3
71.35735	1.1
72.04514	10.0
72.08165	8.6
73.02938	1.9
73.06552	5.4
77.44077	1.3
80.87187	1.3
81.07037	1.3
83.04986	40.3
84.08140	13.0
85.06548	11.8
85.08929	4.9
86.09716	5.3
87.04498	2.3
87.08099	6.1
87.10043	1.9
90.05562	50.6
93.03407	2.8
95.04971	3.5
96.08135	3.8
97.06544	23.6
98.02420	8.6
98.06063	2.0
98.09704	25.7
98.97594	4.9
100.03992	2.0
101.06039	2.9
102.09192	17.4
103.07585	4.4
106.19998	1.2
110.09675	6.5
111.04440	22.0
113.06039	2.3
115.07571	24.6
116.03464	7.9
116.10740	73.9
116.98595	1.3
118.47847	1.2
124.07604	8.1
125.06001	18.4
126.09106	2.1
127.09976	1.8
128.10728	49.7
129.09114	6.3
132.10246	2.3
135.97545	1.3
138.09180	1.7
140.10719	1.9
142.08624	3.0
142.12329	2.2
143.07047	43.7
149.60789	1.2
156.10197	13.2
157.08678	4.3
158.11728	9.4
160.13361	1.7
162.05493	1.6
170.11800	9.0
174.11328	1.8
174.13083	1.6
184.09654	10.2
188.12834	100.0
202.10756	14.1
202.14409	6.0
205.15909	2.3
220.12231	12.1
220.15495	74.9
238.31230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1545
Annotation	Miglustat
Peak:m/z	Relative Intensity
53.28837	1.3
55.05508	13.7
56.05032	7.2
57.03431	3.4
57.07071	3.0
58.06594	5.0
59.04993	2.2
61.02913	4.0
61.17572	1.4
65.03927	2.3
65.48302	1.3
67.05502	14.5
67.49590	1.3
69.03387	1.3
70.06587	1.8
70.27309	5.8
71.04993	9.4
72.04520	4.0
72.08160	4.3
73.06545	4.8
79.05510	1.8
82.04182	1.6
83.04983	42.0
84.08140	16.1
85.06541	5.8
85.08922	3.1
87.08080	3.1
93.03413	5.9
93.46494	1.4
96.08122	3.1
97.06536	28.3
98.09701	30.5
98.97583	1.9
99.08068	1.7
99.32096	1.3
101.06012	5.6
102.09218	1.3
110.09687	7.7
111.04451	33.6
115.07573	9.9
116.10738	99.9
125.05991	18.8
128.10732	57.3
129.09108	6.9
138.09134	2.0
142.12277	5.2
143.07042	56.9
156.10201	16.6
188.12828	100.0
189.13214	1.3
220.15454	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	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
52.81242	0.7
55.01865	1.1
56.01398	0.9
57.07078	5.7
59.05001	4.9
67.05511	6.4
69.07073	4.5
69.68961	0.6
70.02954	7.6
71.08112	0.8
72.04523	19.0
73.02915	3.8
73.06544	0.8
73.79776	0.7
74.02451	1.3
83.04993	2.4
85.06556	11.4
86.09711	1.1
87.08115	1.4
88.33810	0.9
90.05561	100.0
95.04958	7.6
96.08121	1.5
98.02419	17.5
98.09690	1.4
100.02200	3.5
100.03992	2.7
103.07586	8.1
111.04436	0.8
112.07636	0.9
113.06007	4.1
116.03455	13.2
116.10756	2.4
124.07601	17.8
128.10742	1.1
142.08646	7.1
143.07053	1.6
146.02728	1.7
156.10173	1.9
160.09738	1.7
164.03857	0.8
166.08670	2.5
174.11284	1.8
181.28517	0.7
184.09698	18.4
188.12836	3.7
202.10747	26.3
220.10043	1.3
220.11827	24.8
220.15337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05506	7.1
57.07072	3.9
59.04977	2.2
64.78484	1.8
67.05499	12.7
69.07063	10.9
70.09959	4.6
70.10356	4.0
71.04993	23.9
71.27918	1.8
79.05480	9.2
81.07056	18.8
83.08617	4.8
85.06074	3.7
85.06551	56.3
88.95031	1.8
91.05488	17.9
93.07048	22.0
95.04969	2.1
95.08041	3.1
95.08612	40.5
97.06516	4.9
99.66312	2.4
99.86377	1.6
105.07039	70.4
107.08596	31.6
108.64417	1.9
109.06535	2.0
109.10164	13.0
111.08105	4.4
113.09665	4.8
115.05441	2.7
115.06880	1.8
117.07038	11.5
117.07737	2.1
117.39425	1.9
119.08594	61.8
121.10149	27.9
123.08120	2.3
125.09605	9.7
129.07048	2.4
131.08574	20.4
133.10139	27.9
135.11700	21.8
137.09590	5.1
144.09351	4.6
144.48158	2.0
145.10146	25.9
147.11696	8.3
149.09645	3.3
149.13277	15.3
157.10095	3.3
159.11708	100.0
161.13263	43.0
163.11142	13.0
171.11699	2.2
173.13329	10.8
175.14842	33.4
177.12752	8.5
177.16389	24.1
186.14059	3.0
191.14288	15.5
201.16397	56.4
202.16754	2.5
219.14220	3.8
219.17451	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
50.22794	0.6
53.03960	0.7
55.05516	4.1
56.96561	1.1
57.07067	3.2
59.04996	1.2
67.05502	4.7
69.03416	2.1
69.06734	0.6
69.07076	10.7
69.29111	0.8
69.85537	4.2
71.04984	1.9
71.08629	1.2
79.05505	4.6
81.07063	15.3
83.04985	0.9
83.08606	3.0
85.06544	1.4
85.10169	1.1
85.86798	0.7
91.05471	3.8
93.07050	12.0
95.05003	1.1
95.08613	15.1
97.06543	5.7
97.10166	0.8
105.07041	12.9
106.04177	0.8
107.08600	16.6
109.06487	2.2
109.09457	1.2
109.10155	15.2
113.09645	0.8
117.07005	3.8
119.08596	10.7
121.06513	12.7
121.10147	14.1
123.08051	3.6
123.11703	3.7
125.09643	0.7
131.08568	8.4
133.10141	6.0
135.08035	3.4
135.11703	7.3
136.92162	1.0
137.09618	5.7
137.13231	3.2
139.11162	1.8
139.92522	0.7
143.08490	0.9
144.09328	0.8
145.10135	20.6
147.11682	6.5
149.09644	3.8
149.13239	3.5
151.11156	1.7
157.10110	1.1
159.11710	27.7
161.09625	1.8
161.13243	6.3
163.11212	7.1
165.12671	0.9
172.94290	1.0
173.13271	2.4
175.14877	4.1
176.12050	1.5
177.12769	8.4
177.16345	0.9
191.14278	2.7
191.17917	2.5
201.16394	13.0
219.17448	100.0
220.17778	1.4
237.15923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.16861	1.2
53.03932	1.4
55.05524	5.8
56.96558	1.7
57.03434	1.4
57.07077	3.0
59.04987	1.9
67.05511	9.5
69.03425	2.5
69.07069	14.0
69.99129	1.3
69.99500	6.2
71.05005	9.7
71.08613	1.3
77.70367	1.2
79.05499	11.9
81.07065	24.5
83.04981	2.3
83.08609	3.8
85.06548	4.8
91.05479	12.3
93.07054	31.9
95.04963	2.9
95.08612	23.9
97.06534	23.8
97.10181	2.1
97.19684	1.2
105.06381	2.0
105.07037	28.8
107.04946	3.9
107.07874	1.7
107.08598	26.5
109.06519	3.0
109.10159	17.5
111.08073	3.7
117.07038	5.8
119.08580	23.3
119.24911	1.2
121.06503	4.2
121.10158	19.4
123.08048	2.1
123.11729	4.5
125.09635	4.1
128.06152	1.3
129.06985	1.7
130.07791	4.3
131.08592	14.5
133.10138	12.9
135.08066	8.2
135.11700	19.5
137.09618	3.5
137.13292	2.4
139.11189	3.7
143.08569	1.8
144.09337	3.0
145.10135	67.7
147.11690	8.7
149.09621	3.3
149.13272	4.3
151.11186	2.1
157.10094	3.8
159.11705	73.1
159.33630	1.1
161.09564	1.9
161.13278	18.7
163.11243	9.6
172.51395	1.4
173.13284	5.4
175.14861	12.0
177.12743	7.6
177.16422	7.5
181.51967	1.4
188.52618	1.7
190.95294	1.1
191.17982	10.4
201.16380	28.8
219.06622	1.7
219.14403	6.2
219.17450	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	219.1746
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
53.03947	3.5
55.05502	6.0
56.96559	2.3
57.07071	5.0
67.05505	15.0
69.06724	1.8
69.07074	28.7
70.99877	3.1
71.05000	25.5
71.08636	2.1
71.62498	1.3
79.05502	7.8
81.06642	2.0
81.07070	24.3
83.04993	7.1
83.08591	3.4
85.06533	3.4
91.05489	30.2
93.07051	100.0
95.04969	4.6
95.08617	19.6
97.06540	10.5
97.10139	1.4
105.07035	39.3
107.04935	2.7
107.08604	32.3
109.06513	4.9
109.10168	46.2
111.08070	3.0
115.05512	1.5
117.07031	5.3
119.08594	33.3
121.06513	7.8
121.10154	18.7
123.08080	3.3
123.11722	2.6
125.09646	42.2
129.06979	1.7
130.07797	2.1
131.08585	15.6
133.09229	2.4
133.10149	29.5
135.08052	6.0
135.11705	7.0
137.09639	3.7
144.09344	4.5
145.10135	33.6
147.11652	5.2
149.09622	4.1
149.13254	3.7
150.10457	7.3
151.11179	2.6
157.10120	2.4
159.11705	47.0
159.13026	2.3
161.09529	2.4
161.13268	19.2
163.11200	17.2
172.94313	2.3
173.13347	6.8
175.13466	2.6
175.14841	25.4
176.12051	1.5
177.12814	8.2
177.16380	6.9
186.13913	1.8
191.17905	1.6
201.16386	21.9
203.14305	1.7
219.17458	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03942	2.4
55.05519	6.6
56.96560	5.3
57.07064	3.7
58.40045	1.6
61.62236	1.4
67.05527	8.0
69.03432	2.5
69.06788	1.1
69.07072	15.3
70.71194	3.7
71.04989	2.8
79.05484	5.0
81.07059	17.6
83.04979	2.2
83.08620	3.1
85.06503	1.4
91.05476	15.3
93.07043	18.3
95.04994	2.0
95.08051	1.6
95.08617	22.3
97.06520	4.1
97.10145	1.7
103.05444	1.3
105.07038	20.2
107.04977	6.1
107.08606	24.4
109.06534	9.5
109.10172	12.7
111.08084	4.0
115.05436	3.6
117.07047	6.9
119.08591	20.3
121.06517	100.0
121.10149	11.6
123.08080	8.8
123.11702	4.6
125.09579	2.1
126.02517	1.2
129.07074	2.2
131.08540	5.6
133.10133	8.9
135.08063	86.3
135.11702	14.1
137.09630	4.1
138.07028	1.4
143.08548	2.1
144.09373	1.6
145.10136	25.3
147.11705	9.6
149.05971	3.9
149.09628	12.6
149.13197	2.6
151.07559	15.3
154.93288	3.3
159.10629	1.6
159.11729	18.8
161.09749	1.6
161.13254	9.8
163.11162	10.3
164.08325	3.9
172.94284	3.5
173.13231	3.0
175.14867	7.3
176.11954	1.7
177.12749	3.0
177.16464	3.8
187.05141	1.5
188.54533	2.2
191.17938	2.4
193.98871	1.6
194.99684	6.0
195.95776	1.6
196.05711	8.0
201.13371	1.4
201.16394	22.6
203.14180	1.8
208.00439	3.3
213.00790	3.0
213.70081	1.5
219.14349	7.3
219.17447	97.5
220.17766	1.5
226.01491	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	219.1746
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05519	10.5
55.92611	1.7
56.96565	3.1
57.07071	4.2
59.04994	3.4
59.53598	1.8
65.03945	1.6
67.05524	11.5
69.07078	16.7
70.74112	2.2
70.74463	3.9
71.04993	6.8
73.17224	1.6
77.03929	2.0
79.05496	13.8
81.07066	42.8
83.08612	3.5
84.09669	1.6
85.06532	4.9
88.31348	1.7
91.04945	3.4
91.05479	26.7
93.07055	48.5
95.04964	2.2
95.08618	33.8
97.06525	18.0
105.07035	48.0
107.08600	43.0
109.06517	6.2
109.10155	21.2
111.08070	5.1
117.07012	7.4
119.08588	55.1
121.06503	5.8
121.10144	68.5
123.08080	3.6
123.11710	5.8
125.09650	4.7
130.07773	2.6
131.08585	17.6
133.10135	30.7
135.08049	8.0
135.11713	22.2
137.09590	3.5
137.13231	2.5
139.11151	5.5
142.07715	1.9
144.09341	5.2
145.10135	65.1
146.10904	1.8
147.11714	9.5
149.09641	4.3
149.13258	5.7
157.10129	3.1
159.11702	75.1
160.12253	2.4
161.09752	2.0
161.13275	62.1
163.11217	9.6
167.81354	1.8
172.94293	2.4
173.13260	6.3
175.14850	16.4
177.12744	5.8
177.16350	13.9
191.14227	3.8
191.17926	13.0
201.16403	51.2
203.14284	2.4
210.05209	1.7
219.14247	4.5
219.17459	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	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
50.10565	0.9
50.78790	0.9
55.05514	4.6
55.18914	0.9
57.03416	0.9
57.07059	1.5
65.03957	1.2
67.05520	5.3
69.03426	2.2
69.07074	12.0
69.51646	6.7
71.04984	3.1
71.08607	1.1
79.05517	4.6
79.05906	0.9
81.06635	1.4
81.07062	15.6
83.08620	3.1
83.77283	0.9
85.06516	1.2
87.58924	1.0
91.05488	6.4
93.07047	14.9
95.04932	1.8
95.08615	16.8
97.06544	5.9
100.18192	0.9
105.06393	1.3
105.07038	16.5
107.08601	19.4
109.06512	3.6
109.10168	12.4
111.08062	2.7
114.54280	0.8
117.07002	4.2
119.08592	12.1
121.06535	5.7
121.10140	13.7
123.08051	2.4
123.11680	2.8
125.09628	1.9
131.08574	8.4
133.10153	6.9
135.08032	4.0
135.11684	10.2
137.09631	5.1
137.13255	1.5
139.11156	2.7
139.95538	0.8
144.09306	1.4
145.09041	1.8
145.10132	21.0
147.11723	7.2
149.09637	3.3
149.13277	4.1
154.93263	0.9
159.11702	23.6
161.09567	1.0
161.13287	8.1
163.11162	7.6
163.14873	1.5
172.22609	0.9
172.94315	1.5
173.13245	3.7
175.14883	4.6
176.11971	1.9
177.12764	8.1
177.16373	1.2
191.14322	1.8
191.17944	3.7
191.74414	0.9
201.16406	15.8
219.17447	100.0
220.17743	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1381
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03941	1.1
55.05514	5.3
56.96562	2.2
57.07076	0.9
59.05001	0.7
65.03940	0.9
67.05508	17.6
69.03420	0.7
69.07067	4.3
69.64160	1.9
71.04987	1.9
73.02916	0.9
77.03934	0.7
79.05495	8.5
79.25966	0.5
81.07061	17.3
83.04985	1.2
83.08628	1.3
85.06548	0.7
91.05483	10.5
93.07050	20.0
95.04984	1.3
95.08611	100.0
96.08926	0.7
97.06546	2.5
97.10157	0.6
98.44753	0.5
103.05445	0.8
105.07037	65.3
106.07350	0.6
107.04980	1.5
107.08604	8.7
107.09286	0.8
109.06564	2.2
109.10163	6.7
111.04446	0.4
111.08092	1.5
115.05437	1.0
116.06275	0.5
116.10722	0.8
117.07020	5.0
118.20754	0.4
119.04945	0.5
119.08587	11.1
121.06507	4.8
121.10143	6.2
123.04411	0.4
123.08089	2.1
123.11717	1.7
125.06003	5.6
125.09651	1.4
129.07031	1.9
130.07782	1.5
131.08578	32.8
133.10144	6.9
134.10480	0.5
135.04445	1.3
135.08064	3.8
135.11705	3.3
135.71686	0.5
137.06021	1.8
137.09631	2.2
139.01860	0.5
139.07565	0.9
142.07776	5.1
143.08588	1.9
144.09370	1.8
145.06485	3.6
145.10129	20.5
145.89403	0.5
147.08020	0.5
147.11687	16.0
147.12775	0.8
149.05992	9.2
149.09662	1.6
149.13330	1.4
151.11212	0.7
154.93243	0.9
155.08546	1.0
157.10138	20.0
158.10864	0.6
159.08072	5.8
159.11700	15.5
161.09628	0.7
161.13271	4.1
163.07570	1.9
163.11221	4.9
168.89531	0.5
172.94255	2.1
173.13272	40.8
175.14842	5.6
176.12045	0.5
177.09088	2.4
177.12814	2.0
177.16396	4.0
183.11678	3.1
187.11366	0.4
190.95384	1.0
191.07181	0.6
191.14331	1.7
191.17996	1.6
201.10815	0.8
201.11151	0.4
201.12758	28.5
201.16364	8.0
203.14391	1.8
219.06648	1.8
219.13922	20.7
219.17422	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	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01878	1.2
55.05500	1.5
57.03437	2.5
65.64703	0.9
67.05507	2.4
69.07049	2.0
70.18656	1.7
70.19075	2.8
71.04985	2.9
72.08152	1.8
73.22699	1.0
79.05476	4.4
80.84870	1.0
81.07073	5.1
82.28693	1.0
85.14312	1.2
91.05476	17.8
93.07027	4.7
95.04987	1.7
95.08596	3.3
95.48873	1.0
98.21444	1.1
98.97556	2.7
99.10045	1.8
103.05463	3.3
105.03421	1.5
105.06452	1.2
105.07040	11.3
107.04980	2.3
107.08590	3.8
109.10168	1.4
110.06776	1.1
111.07996	1.2
112.79771	1.2
115.05451	13.6
116.06221	2.6
117.07012	4.8
119.08566	7.7
121.06447	1.6
121.10133	3.6
127.03158	1.1
128.06198	13.3
129.07008	40.2
130.07834	5.0
131.04939	10.9
131.08568	45.8
133.06398	1.0
133.10126	10.0
135.08084	1.8
137.05989	4.3
141.06993	39.9
142.07730	1.2
143.04921	3.1
143.08546	2.1
144.05675	7.2
145.06445	8.8
145.10153	6.4
146.06120	1.0
146.07222	4.8
147.04419	1.2
147.08073	1.0
147.11653	1.3
148.05193	2.3
149.02313	1.0
155.06041	2.5
157.06505	22.8
158.07283	21.7
159.04411	3.8
159.08058	27.0
159.11700	5.7
160.05182	7.6
160.08745	1.9
161.09637	6.0
161.13211	2.9
162.06767	1.5
163.07542	2.2
169.06473	14.9
169.07692	1.8
170.07230	6.5
171.08000	1.9
173.06030	7.2
173.09555	2.3
173.13255	2.4
174.06761	81.3
175.07535	10.0
175.14783	2.4
177.05453	2.5
182.54579	1.0
185.06024	1.4
186.06761	19.1
187.07483	2.5
188.08223	4.9
189.09105	100.0
190.09499	2.5
191.07010	2.6
191.10635	7.1
201.05415	3.9
201.09097	42.1
201.13144	1.7
201.16379	4.6
203.14282	3.3
219.06551	3.6
219.10161	94.2
219.14163	29.4
219.17377	20.9
220.10571	2.2
225.92082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01870	1.2
55.05507	3.5
57.03432	2.5
57.07072	1.8
59.68565	0.9
67.05511	5.4
69.03420	1.7
69.07074	5.1
71.04986	4.1
71.37931	1.5
72.08158	1.1
73.02937	0.9
79.05498	2.9
80.60180	0.8
81.03419	1.2
81.07056	8.0
83.04975	2.4
83.08630	1.1
83.24679	1.0
85.06540	1.8
91.04955	1.4
91.05489	17.2
93.07058	9.0
95.04944	2.8
95.08620	7.5
97.06523	2.1
98.97589	2.2
99.10017	1.2
101.25900	1.0
103.05467	3.7
105.07038	12.3
107.08608	9.1
109.06519	2.2
109.10159	6.3
111.08090	3.0
115.05460	10.7
116.06277	5.2
117.07041	8.3
119.04955	0.9
119.08598	8.1
121.06489	3.0
121.10155	8.1
123.08084	2.1
123.11716	1.3
125.09634	2.3
127.11223	1.6
128.06235	9.5
129.07019	46.0
130.07796	3.6
131.04933	7.2
131.08574	39.6
133.06505	1.5
133.10132	12.0
135.08029	4.3
135.11684	3.8
137.05981	3.9
137.09599	1.3
141.06995	38.6
143.04938	2.1
143.08589	2.7
144.05708	5.8
145.06493	10.8
145.10101	10.3
146.07286	4.2
147.08063	1.7
147.11745	4.6
148.05179	2.1
149.09634	1.8
149.13232	1.4
155.06026	1.6
157.06506	24.2
158.05952	1.0
158.07277	24.4
159.04401	4.5
159.08075	27.7
159.11722	11.1
160.05170	5.6
161.05937	2.5
161.09657	4.5
161.13304	4.2
163.07616	1.1
163.11191	2.8
169.06487	15.9
169.07759	1.4
170.07295	7.1
171.08087	1.0
173.05980	6.3
173.09631	1.6
173.13252	3.5
174.06781	81.7
175.07553	13.2
175.14813	2.0
176.04732	1.2
177.12773	1.3
185.05956	1.4
186.05142	1.1
186.06773	17.8
187.07541	3.0
188.08328	4.0
189.09120	95.5
190.09471	2.6
191.07036	1.7
191.10625	8.0
191.17993	1.1
201.05569	1.6
201.09131	42.0
201.13042	4.7
201.16347	8.2
202.09462	1.4
203.14343	4.1
204.15187	0.9
219.10184	100.0
219.14153	30.7
219.17462	37.6
220.10437	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.52971	0.9
55.01865	2.0
55.05509	1.3
57.03424	2.5
64.06654	0.9
67.05492	2.4
69.03437	1.7
69.07066	1.8
71.04984	1.1
71.12612	2.0
79.05486	1.8
81.07045	3.4
85.02893	2.2
86.08283	0.8
91.05485	12.1
93.07048	3.7
95.08598	2.8
103.05480	3.6
105.03279	1.0
105.07035	5.0
107.08591	2.3
109.10094	1.9
115.05466	11.2
116.06236	3.9
117.07018	5.6
119.08562	5.9
120.08125	1.0
121.10181	2.2
123.11709	1.2
128.06218	12.6
129.07019	42.7
130.04211	1.1
130.07762	2.9
131.04945	8.9
131.07579	2.2
131.08575	44.5
133.06474	1.0
133.10127	3.7
135.08023	1.0
135.11668	1.2
137.06020	5.1
141.06996	34.6
143.04929	2.2
143.08594	3.1
144.05690	5.2
145.06497	7.1
145.10115	3.8
146.07236	5.4
147.11642	1.2
148.05154	1.1
155.06017	2.2
156.05719	1.1
157.06500	22.9
158.07285	23.7
159.04422	4.0
159.08069	25.4
159.11763	3.7
160.05190	5.7
161.05978	1.8
161.09639	4.4
161.13266	1.7
163.07533	3.2
163.16100	1.0
168.05762	1.1
169.06480	15.8
169.07687	1.7
170.07292	7.8
171.04457	2.1
171.08012	1.7
173.05966	4.8
173.13318	1.5
174.06776	82.7
175.07556	10.3
185.05975	1.4
186.06776	18.1
187.07527	1.2
188.08347	3.5
189.09119	100.0
190.09563	1.4
191.07100	2.1
191.10675	7.9
201.09122	39.5
201.13051	1.8
201.16454	3.0
203.14278	2.7
219.10175	95.5
219.14113	15.4
219.17403	16.8
219.19554	1.3
220.10536	1.9
238.31740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
58.97271	1.0
67.05492	3.0
69.07057	2.2
69.37701	2.0
69.38103	5.8
75.86290	1.1
79.05482	2.4
81.07050	4.1
91.05486	12.5
93.07034	4.1
95.04947	1.0
95.08600	4.2
98.20740	1.9
103.05482	2.2
105.03421	1.0
105.07020	9.3
107.08589	4.2
109.06495	1.6
109.10123	2.4
115.05464	9.7
116.06247	5.1
117.06998	4.6
119.08581	6.4
121.10159	1.9
125.09639	1.4
128.06236	11.3
129.07014	44.8
130.07762	3.2
131.04924	8.7
131.08575	40.9
133.10144	4.8
135.08038	2.1
137.05974	3.9
141.06996	37.2
141.08109	1.9
142.42583	1.0
143.04910	2.3
143.08563	2.5
144.05719	6.1
145.06493	5.7
145.10149	6.5
146.07309	5.9
148.05225	2.0
157.06487	21.4
158.07280	24.1
159.04422	3.5
159.08066	25.8
159.11694	6.2
160.05170	6.1
161.06000	2.1
161.09598	3.0
161.13222	1.9
163.07555	2.1
163.11163	1.1
168.05701	1.4
169.06506	14.9
169.07758	1.8
170.07278	8.4
171.08070	1.6
173.05963	4.8
173.13280	2.3
174.06772	77.1
175.07538	11.2
175.14806	2.2
176.08237	1.5
186.06796	18.5
187.07506	2.8
188.08308	3.1
189.09119	100.0
190.09485	1.4
191.07077	1.9
191.10669	7.8
201.09113	41.1
201.13029	1.6
201.16357	7.0
202.09291	1.0
203.14331	2.6
219.10176	93.5
219.14153	13.5
219.17436	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	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03439	2.1
59.28300	1.0
67.05498	2.1
69.07043	1.1
71.12291	2.3
79.05489	1.3
81.07067	1.9
83.04949	1.1
85.58183	0.9
86.09737	1.1
91.05492	14.0
93.07053	1.2
95.08596	1.3
98.09661	1.4
98.97589	2.5
103.03990	1.2
103.05462	3.5
105.07008	3.9
107.04920	1.7
107.08607	1.9
109.09390	1.0
115.05453	10.7
116.06226	3.9
117.07036	4.7
118.41732	1.0
119.08572	3.1
120.08128	1.9
121.06438	1.4
121.10172	2.4
123.56853	1.0
128.06219	12.6
129.07010	45.0
130.07770	2.7
131.04930	8.8
131.08572	41.6
133.10094	2.3
137.05978	4.3
141.06992	35.9
143.04929	2.4
143.08607	2.8
144.05681	5.6
145.06497	8.3
145.10107	2.9
146.07208	4.8
147.04424	1.7
148.05219	1.2
155.06036	2.3
157.06493	26.1
158.07280	25.0
158.11737	1.1
159.04408	3.9
159.08063	26.7
159.11818	5.3
160.05246	6.4
161.05986	2.2
161.09622	4.1
162.06775	1.6
163.07559	2.6
168.05701	2.0
169.06476	16.1
169.07777	1.5
170.07295	7.7
171.07971	1.3
173.05992	6.2
173.09607	2.0
174.06772	84.6
175.07521	11.9
186.06750	15.3
187.07477	2.3
188.08293	4.4
189.09117	100.0
190.09702	1.7
191.07076	2.1
191.10707	8.2
201.09116	42.2
201.13077	2.8
201.16353	2.6
203.14320	3.7
212.94125	1.0
219.10172	96.9
219.14183	22.6
219.17418	21.0
220.10478	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	218.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33191	0.3
55.01878	2.0
56.05027	0.7
57.03432	1.2
58.06584	1.8
67.05494	1.1
70.85808	0.8
71.04989	0.7
72.08158	3.6
81.07054	1.0
83.08592	0.5
84.08141	0.7
85.06535	1.5
86.06080	1.4
93.07046	0.6
95.04966	2.3
96.31966	0.4
98.09087	0.7
98.09693	10.3
98.10336	0.5
99.04433	0.5
102.09189	6.2
109.06508	1.0
111.08112	0.5
113.05994	3.9
128.07133	0.9
130.53371	0.4
137.05972	0.5
140.10680	1.3
146.08124	1.1
155.05574	0.4
155.07031	0.7
156.13875	0.8
158.11768	16.9
182.11761	1.2
199.34142	0.4
200.12845	4.4
218.13875	100.0
219.14099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1387
Annotation	(plusmn)-Propionylcarnitine
Peak:m/z	Relative Intensity
55.01875	1.8
56.05041	0.8
56.99741	0.2
57.03438	1.0
58.06598	1.8
67.05503	1.0
69.07065	0.4
69.74378	1.0
70.06580	0.3
71.04989	0.5
72.08154	3.6
75.04470	0.3
79.05483	0.2
81.03416	0.5
81.07039	0.7
83.05042	0.2
83.08633	0.3
84.08128	0.7
85.06544	1.8
85.08936	0.2
86.06065	1.3
86.09697	0.6
87.00832	0.3
87.06859	0.2
91.05425	0.2
92.33057	0.2
93.07038	0.6
95.04971	2.5
97.02894	0.4
98.09695	9.3
99.04443	0.5
100.07621	0.3
101.02292	0.2
102.09184	4.9
108.08105	0.2
109.06505	0.8
111.08096	0.9
112.11267	0.2
113.06002	3.0
115.03905	0.3
121.33058	0.2
122.09648	0.3
126.09160	0.2
128.07077	0.7
136.11224	0.2
137.05991	0.4
140.10716	1.8
146.08141	1.0
155.07021	0.5
156.13791	1.0
158.11775	18.7
182.11777	1.2
200.12836	5.2
218.13879	100.0
219.14159	0.6
229.08011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1389
Annotation	(plusmn)-Propionylcarnitine
Peak:m/z	Relative Intensity
53.03942	0.4
54.97710	0.3
55.01868	1.5
56.05037	0.4
56.96555	0.9
57.03438	2.3
58.06601	1.5
60.04520	0.9
67.05485	1.0
69.03426	0.4
70.05172	0.6
70.05563	0.7
70.06574	0.7
71.04977	0.8
71.07359	0.3
72.04498	0.5
72.08153	3.2
81.03401	0.5
81.07041	1.4
83.04955	0.3
83.08613	0.5
84.08134	0.9
85.02901	0.5
85.06555	1.8
85.08913	0.5
86.06077	0.8
86.09701	1.2
93.07053	0.4
95.04974	2.3
96.65575	0.3
97.02887	0.4
98.09095	0.6
98.09696	9.0
98.97568	1.3
99.04444	1.0
102.09187	4.3
106.06081	0.3
109.06500	1.1
111.08057	1.2
112.07592	0.3
113.06010	3.3
116.98595	0.4
126.09135	0.6
128.07068	0.6
130.08643	0.5
132.10204	0.5
132.54364	0.3
137.05974	0.6
140.10678	1.6
145.39510	0.3
146.08078	0.7
155.07045	0.9
156.13803	0.6
158.11778	16.9
158.99719	0.3
182.11812	1.0
200.12814	7.1
218.13875	100.0
219.14145	1.1
219.75487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20204	0.2
57.07078	7.0
58.06587	0.5
62.06080	0.4
69.35596	0.4
69.36002	1.1
70.06596	12.2
71.08280	0.3
71.08633	4.0
88.07635	17.5
102.08548	0.3
102.09184	5.0
106.08675	9.8
116.25996	0.2
118.30643	0.2
121.44325	0.2
156.17412	0.3
174.18564	1.4
181.38307	0.2
200.20097	7.9
218.14159	1.2
218.21158	100.0
219.21480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59758	0.1
55.01872	1.7
55.05489	0.3
56.05028	0.7
57.03430	1.5
58.06600	1.7
63.42988	0.1
65.03944	0.1
67.05506	0.8
69.03417	0.3
69.07067	0.4
70.06597	0.4
70.30164	0.6
71.04980	0.5
72.04497	0.2
72.08156	3.5
73.35324	0.1
75.04501	0.2
79.05495	0.2
81.03415	0.3
81.07048	0.6
83.04977	0.2
83.08597	0.4
84.08145	0.8
85.06550	1.8
85.08913	0.2
86.06072	1.3
86.09706	0.6
87.00831	0.3
93.07027	0.5
95.04971	2.2
97.02886	0.3
97.06529	0.2
98.09696	9.6
98.21397	0.2
99.04449	0.6
100.07597	0.2
102.09187	4.7
109.06530	0.9
111.08099	0.9
112.11275	0.3
113.06013	3.2
115.03941	0.5
122.09664	0.3
125.65166	0.1
127.07553	0.2
128.07062	1.0
131.02696	0.1
137.05951	0.6
138.12759	0.2
140.10716	1.9
146.08154	0.9
155.07001	0.7
156.13824	0.8
158.11772	18.4
182.11755	1.1
195.90703	0.1
200.12823	5.1
218.13879	100.0
219.14241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03935	1.9
55.05260	1.5
55.05510	21.5
57.03419	1.7
57.07052	2.5
59.04997	1.5
67.05506	24.2
69.03437	3.0
69.07071	15.9
69.43726	7.3
69.44143	2.6
69.90030	1.3
71.04960	1.7
72.08143	1.5
79.05496	11.5
81.03429	1.1
81.07059	33.4
83.04986	20.7
83.08632	6.7
85.06538	2.9
87.04446	2.7
89.02367	1.9
89.06013	3.8
91.05487	17.0
93.07048	20.5
95.04971	2.5
95.08607	51.0
98.09676	3.6
98.21271	5.0
99.04445	2.2
101.06014	6.5
103.05469	1.1
105.07031	48.5
107.08591	30.7
109.06490	3.0
109.10158	50.5
111.04443	29.2
113.06004	5.0
115.05436	1.5
117.07002	4.0
119.08581	46.3
121.06507	1.5
121.09317	2.4
121.10143	30.0
121.67617	1.1
123.08071	1.4
123.11707	19.2
127.07559	3.0
128.06250	1.5
129.05475	6.3
129.07028	2.1
131.08542	7.2
133.06523	1.4
133.10126	28.9
135.11671	14.3
137.05908	1.5
142.07758	2.4
143.08563	4.1
144.09366	1.9
145.10077	5.6
147.08006	3.2
147.11685	28.5
149.13228	4.0
155.07040	37.9
157.10152	7.4
158.11746	4.5
159.08080	1.3
159.11682	8.4
161.09674	8.2
161.13258	61.1
162.13704	1.5
171.11531	1.7
173.08095	22.3
173.13213	3.0
174.14014	1.9
175.11166	4.5
175.14842	8.9
176.09398	1.6
177.03529	1.2
187.14830	2.6
189.05544	1.9
189.16348	4.5
199.09619	2.4
199.11449	1.8
199.14832	5.0
200.12865	6.5
217.08591	3.0
217.10617	26.9
217.12309	3.6
217.16187	14.4
217.19507	100.0
218.13892	30.1
218.19838	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	217.1588
Annotation	Orobanone
Peak:m/z	Relative Intensity
53.03955	0.8
55.01874	0.9
55.05256	0.9
55.05515	13.3
57.03440	1.8
57.07072	3.1
59.05000	2.8
67.05513	3.7
69.03423	2.4
69.07076	23.9
70.81966	1.8
71.04993	1.5
73.52557	0.6
73.91647	0.6
79.05508	4.4
81.07069	6.4
83.04987	16.8
83.08622	3.7
85.06539	1.8
87.04472	1.2
89.02394	1.5
89.06028	3.3
91.05491	6.7
93.07055	6.0
95.04980	1.5
95.08616	6.5
96.78211	0.7
97.06525	1.1
98.09683	1.1
99.04464	1.3
101.06026	7.2
105.07040	26.4
107.08607	6.7
109.06551	1.8
109.10176	2.4
111.04454	23.2
111.08084	0.9
113.06011	3.0
115.05446	1.9
117.06998	4.0
119.04948	3.7
119.08590	21.6
121.06535	4.5
121.10170	2.3
123.08057	1.5
123.11687	0.7
127.07568	3.1
128.06244	5.0
129.05499	3.7
129.07007	7.0
131.08572	18.6
133.06528	1.9
133.10123	13.6
135.08052	3.1
135.11696	2.7
137.05994	1.2
137.09584	1.8
141.07007	3.2
142.07794	27.1
143.08589	16.5
144.09322	3.0
145.10106	7.0
146.07286	1.2
147.08073	7.0
147.11682	8.4
149.09601	2.6
155.07039	28.2
155.08524	5.7
156.05704	1.6
156.09355	16.9
157.10138	100.0
158.10608	0.9
159.08092	1.1
159.11707	19.0
160.08844	0.7
161.06099	0.7
161.09633	14.4
161.13260	3.7
169.10132	3.1
170.10934	12.0
171.11705	38.3
173.08116	16.0
173.09526	1.0
173.13249	9.4
174.05304	1.0
174.06703	0.8
175.11217	13.2
175.14850	5.1
184.12506	3.8
189.09181	1.5
189.12814	2.0
189.16373	9.1
189.17929	1.1
199.09648	2.3
199.14844	32.0
200.12862	2.0
217.04945	0.7
217.08669	2.9
217.10727	13.3
217.12428	1.9
217.15900	61.8
217.19484	2.4
218.13911	10.0
218.16022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	(+)-beta-Cuparenone
Peak:m/z	Relative Intensity
54.22680	0.7
54.42054	0.7
55.01857	1.1
55.05511	14.1
56.96562	1.4
57.03437	1.1
57.07072	2.5
59.04996	3.9
67.05505	5.2
69.03424	2.7
69.07070	24.5
69.38182	2.1
69.38608	3.8
71.05010	0.9
79.05490	2.7
79.29830	0.7
81.07063	6.3
83.04492	0.9
83.04980	15.6
83.08614	3.0
85.06554	2.6
87.04470	1.2
89.02392	2.1
89.06013	1.9
91.05479	7.2
93.07049	5.8
95.04957	1.9
95.08627	6.3
97.06541	2.0
98.09725	1.1
98.28777	0.8
99.04447	1.7
101.06017	7.5
105.07032	25.8
107.08599	7.5
109.06480	1.3
109.10181	2.4
111.04442	24.3
111.08106	1.0
113.06013	3.8
115.05430	1.6
117.07016	5.3
119.04963	1.8
119.08584	19.5
121.06500	4.1
121.10152	4.1
123.08086	1.9
127.07539	2.7
128.06226	3.3
129.05475	3.3
129.07016	6.6
131.08578	18.4
133.06497	1.6
133.10139	11.7
135.08072	4.3
135.11713	2.9
137.09654	1.2
141.07022	4.1
142.07782	32.6
143.08572	17.7
143.09683	1.1
144.09352	2.0
145.10129	6.0
147.08078	6.2
147.11697	7.5
148.08817	0.8
149.09628	3.4
154.07718	0.8
155.07039	25.8
155.08528	6.4
156.05737	0.8
156.09351	18.0
157.10133	100.0
158.10608	1.3
158.11800	1.6
159.08038	2.3
159.11699	19.8
160.08852	1.0
161.09627	15.0
161.13235	2.6
169.07701	0.9
169.10153	2.5
170.10913	11.1
171.11700	37.6
173.08116	15.2
173.09514	0.8
173.13246	9.9
175.07509	0.7
175.11201	15.4
175.14806	6.8
182.02332	2.6
184.12448	3.6
189.12794	2.2
189.16405	9.7
199.09694	1.8
199.14812	30.4
200.12796	2.3
217.04982	0.8
217.08662	2.5
217.10722	12.3
217.15889	63.9
217.19533	2.6
218.13907	16.7
218.15982	1.0
219.60706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.086
Annotation	Goniothalamin epoxide
Peak:m/z	Relative Intensity
52.19950	0.2
55.05513	0.5
65.03945	1.4
68.02306	0.1
68.99790	0.4
69.03434	0.2
69.07070	0.2
69.23425	0.8
69.23850	1.0
69.54072	0.2
79.05500	0.4
83.05007	0.3
85.02924	0.3
87.00826	1.1
91.05486	100.0
92.05819	0.7
97.02906	0.3
98.03690	0.7
98.20757	0.4
103.05454	0.3
105.07036	32.9
106.07355	0.2
107.08612	0.3
111.04414	1.1
119.08597	0.2
126.03143	7.8
126.04076	0.4
128.06242	0.3
129.05565	0.2
129.06964	0.4
131.08580	0.5
133.06500	10.2
133.10187	0.2
143.08611	0.4
145.10182	0.3
155.07056	1.1
157.06497	0.3
157.10170	0.2
159.11694	0.3
161.09613	0.6
161.13316	0.2
161.91339	0.2
171.39328	0.2
173.08092	0.8
174.75096	0.2
175.07570	2.1
175.11192	0.2
199.07678	0.3
217.08620	30.7
217.15697	0.9
218.08951	0.4
218.14072	0.3
232.16595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1224
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
50.49726	1.7
53.03938	6.3
55.01862	7.3
55.05265	2.1
55.05515	28.9
56.37498	1.4
57.03439	1.8
57.07061	1.9
59.04997	4.1
65.03960	2.5
67.05502	11.9
69.03423	7.4
69.07072	3.4
69.17669	13.3
69.18080	4.9
71.04971	3.0
71.52468	1.4
72.08165	2.3
77.90019	1.5
79.05493	30.6
81.03406	2.2
81.07060	68.8
82.23051	1.4
83.04984	46.8
83.08614	1.8
85.06521	5.7
87.04456	5.1
89.02389	5.2
89.06056	9.1
91.05482	23.0
93.07048	15.8
95.04972	12.3
95.08598	5.9
97.06528	5.3
98.09682	4.3
99.04458	4.3
101.06020	14.5
102.09143	1.6
105.07037	21.7
107.04953	6.8
107.08608	8.1
109.06519	44.1
109.10142	3.9
111.04449	60.5
113.06011	6.5
115.05411	2.3
117.07015	4.6
119.04894	2.2
119.08575	15.9
121.06511	100.0
121.10165	4.0
123.04406	1.8
123.08046	5.8
127.07555	28.6
128.06241	10.3
129.05510	8.5
129.06996	13.2
131.08598	9.8
133.06482	6.1
133.10153	9.4
135.04434	9.4
135.08038	7.8
137.05972	3.5
141.06987	4.6
142.07784	13.5
143.08562	20.4
145.06496	4.9
145.10129	9.8
147.08064	7.3
147.11725	10.8
149.09590	1.5
155.07047	67.5
155.08421	3.2
156.05681	3.1
156.09343	9.5
157.10144	30.0
158.06053	1.8
158.11778	6.7
158.99701	2.0
159.08046	4.5
159.11690	7.9
160.08789	2.9
161.06007	4.5
161.09610	10.2
161.13248	2.6
165.06947	3.0
166.07738	5.4
171.08043	2.5
171.11708	25.6
173.06758	2.9
173.08139	37.7
173.09628	4.6
173.13260	4.4
175.11194	18.0
181.10103	7.2
184.08858	5.3
189.09010	2.8
189.12732	11.4
199.09601	4.5
199.11203	36.2
199.14835	4.7
200.12848	5.8
217.05096	2.8
217.08572	3.7
217.10640	25.1
217.12279	50.1
217.15544	13.3
218.13904	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0704
Annotation	4,4'-Dimethylangelicin
Peak:m/z	Relative Intensity
53.03942	0.4
53.54493	0.4
54.57942	0.4
56.27229	0.4
56.32172	0.4
66.64223	0.4
68.99795	31.1
69.07068	0.5
70.69363	1.3
74.09724	0.8
79.05477	0.7
81.03398	0.8
81.07056	1.0
83.01324	0.6
87.00869	0.6
91.05485	5.4
94.79440	0.4
95.08614	0.9
98.72900	0.4
103.05475	11.3
105.07024	3.1
107.08588	1.0
109.02855	0.5
109.10183	0.5
111.00813	2.2
115.05459	6.1
117.07063	2.1
119.08583	1.3
121.10133	0.6
126.11655	0.4
128.06238	3.0
129.06136	0.7
129.07014	9.6
131.04936	49.2
131.08568	4.7
132.05223	0.8
133.10133	0.7
141.06998	42.6
143.08580	1.1
144.05652	0.5
144.09309	0.8
145.06480	1.9
145.10152	2.5
152.06259	4.3
153.06969	1.1
155.04909	7.0
155.06090	2.0
155.08553	1.2
157.10179	1.0
159.08037	2.4
159.11703	2.6
168.05707	0.6
169.06494	24.3
171.11584	0.5
173.05956	2.2
173.09685	1.3
173.13242	1.9
179.04860	2.3
187.07556	27.8
188.07773	0.7
197.05983	8.6
197.09799	0.5
197.13194	1.0
215.07036	100.0
215.14172	2.8
215.17931	4.4
215.22101	0.8
216.07367	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	215.0704
Annotation	4,4'-Dimethylangelicin
Peak:m/z	Relative Intensity
53.45063	0.9
55.36444	0.8
60.42316	0.8
65.34841	0.9
66.32327	0.9
68.99799	43.0
71.57271	0.8
81.03408	2.8
83.01340	1.1
91.05486	11.2
93.82406	0.9
103.05480	25.1
104.14678	0.8
105.03399	0.8
105.07048	2.0
109.02894	1.5
111.00811	3.0
115.05473	11.5
117.07017	2.5
119.08553	1.2
125.15353	0.8
128.06221	5.6
129.07024	15.5
131.04944	86.4
131.08534	5.5
132.05238	0.9
135.65562	1.0
141.07005	70.3
142.07304	1.0
145.06520	3.9
152.06224	3.4
153.07040	1.0
155.04924	11.1
155.06068	4.6
159.08081	4.1
169.06511	37.2
172.02873	1.2
173.05998	3.5
179.04855	3.9
179.06271	0.9
181.53325	0.8
183.13808	0.9
187.07567	58.8
188.07803	1.1
197.06007	14.5
215.07051	100.0
215.17819	0.8
216.07437	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	217.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.3
55.05262	1.7
55.05512	21.4
56.96566	8.1
59.05000	2.6
61.60819	1.1
67.05497	4.7
67.61973	1.1
69.03410	2.5
69.07068	7.4
69.93582	2.4
69.93990	4.1
71.04992	1.8
79.05488	3.4
81.07057	6.8
83.04984	29.7
83.08624	2.7
85.06547	1.9
87.04457	2.7
89.02374	2.7
89.06014	4.7
91.05488	7.3
92.98692	1.3
93.07053	6.3
95.04970	2.3
95.08597	6.8
98.21404	1.5
99.04462	1.9
101.06032	10.8
105.07037	16.1
107.08627	6.8
109.06494	2.8
109.10124	3.2
111.04452	43.8
111.08070	1.4
113.06042	6.7
115.05450	1.5
117.07032	3.6
119.07787	1.6
119.08588	21.0
121.06493	3.2
121.10157	5.1
127.07623	5.6
128.06233	3.7
129.05492	7.6
129.07002	4.3
130.07774	1.4
131.08589	9.5
133.06575	1.0
133.10143	11.2
135.08055	3.4
135.11678	2.2
137.06094	1.4
137.09560	1.1
138.51833	1.2
141.07007	1.3
142.07793	3.9
143.08563	7.1
143.51067	1.5
145.10126	7.8
146.07234	1.4
147.08032	4.2
147.11717	5.2
149.09567	1.4
152.51608	3.1
155.07042	48.8
156.09361	2.3
157.10144	15.2
157.50865	2.9
158.10783	1.2
159.01971	1.4
159.11707	12.3
161.00659	1.4
161.09633	18.0
161.13254	1.8
162.50133	1.4
164.01299	2.8
165.01941	1.8
166.51389	12.0
167.01764	3.1
171.11658	4.5
171.50601	6.3
172.00888	3.0
172.02748	1.5
172.51387	2.8
172.52794	1.4
173.01840	5.6
173.08124	30.7
173.13271	7.9
173.52087	2.2
174.02602	1.2
174.06825	2.0
175.11180	6.6
175.14871	4.4
175.51959	2.0
176.01276	4.0
179.01791	25.5
179.51997	2.4
180.02544	2.5
180.51164	16.5
181.01436	6.3
181.03191	2.3
181.51892	4.3
181.53387	1.8
182.02254	2.3
182.50928	2.0
185.01825	4.8
186.00734	1.7
186.51163	2.8
188.02336	23.9
188.52467	1.8
189.03105	7.3
189.09111	10.9
189.16415	5.1
189.51727	1.7
190.52557	2.9
194.02321	63.1
194.52466	6.6
195.01231	1.8
195.51671	3.5
197.02794	2.7
199.09668	2.3
199.11504	1.4
199.14821	12.2
199.53085	1.8
202.02658	1.4
202.09930	2.0
203.02850	100.0
203.53040	10.9
205.53108	11.3
206.03299	1.7
210.03604	1.3
212.03325	5.5
214.53679	9.1
215.03787	1.7
217.05069	2.3
217.08574	6.2
217.10706	23.0
217.12459	3.7
217.15884	42.2
217.19394	2.8
218.11934	1.4
218.13911	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	214.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38161	0.8
53.03935	1.0
55.05510	1.7
56.96559	4.3
57.07065	4.2
58.06602	8.4
69.07057	1.6
70.06585	2.9
71.08619	1.4
71.49290	0.9
71.57678	1.2
75.10825	1.0
84.08134	1.1
88.29507	0.9
91.05502	5.4
92.38949	0.9
95.08598	1.3
96.51084	0.9
98.97547	1.6
105.07028	6.1
107.13632	0.8
111.89384	0.9
115.05415	2.0
115.17625	1.0
116.98604	1.2
117.07043	1.4
119.08610	1.6
128.06232	1.2
129.07027	5.6
129.66972	0.9
130.07797	8.9
131.04996	0.9
131.08577	41.9
134.97551	0.8
137.05981	2.1
140.07106	1.0
141.06949	2.3
142.07799	4.9
143.08559	7.1
145.06461	1.7
145.10135	11.2
149.46741	0.9
150.96968	1.1
155.08566	11.4
156.08197	1.4
156.09337	5.8
157.08870	29.2
157.10136	10.5
158.09636	9.3
159.04398	2.5
159.08031	2.0
167.08621	5.5
169.10158	8.5
170.09627	2.0
171.10437	41.0
171.11664	3.3
172.11212	100.0
173.09616	1.5
173.11777	1.2
173.13210	5.7
182.10916	10.3
184.11154	2.9
185.12056	2.5
190.95425	1.4
196.09808	1.8
197.13274	39.0
198.12764	1.2
199.13535	2.8
213.35611	1.0
214.06125	1.6
214.10828	2.3
214.15923	98.9
214.25269	13.6
215.06961	1.6
215.10654	3.0
215.14301	2.3
215.16214	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	214.1592
Annotation	galanthan
Peak:m/z	Relative Intensity
55.05499	1.8
56.96552	3.9
57.07071	2.5
57.50330	1.1
58.06607	6.0
67.38486	0.9
69.07082	1.1
69.33996	5.3
69.34422	3.3
70.06581	2.1
71.08617	1.2
76.04877	0.9
81.07059	2.5
83.42130	0.9
85.06498	0.8
90.53545	0.9
91.05483	4.9
98.21453	2.0
98.97561	1.0
102.00096	2.7
105.07021	3.9
115.05386	1.2
116.06258	1.5
119.08511	0.9
128.06192	1.4
129.06996	5.3
130.07799	12.3
131.08572	39.0
131.69395	1.0
137.06030	1.2
138.23936	1.0
141.06996	1.4
142.07784	3.4
143.08559	5.8
145.10136	10.9
154.07697	1.4
155.08528	8.0
156.08220	1.3
156.09326	6.9
157.08865	29.4
157.10135	9.4
158.09648	11.7
167.08578	5.8
169.10115	8.1
170.09647	2.2
171.10429	43.0
171.11682	3.2
172.11217	100.0
173.09596	2.5
173.11740	1.6
173.13254	6.6
182.10886	7.8
184.11221	2.8
185.12012	2.5
197.13266	29.1
198.12816	1.1
199.13571	2.9
214.15913	92.7
214.25238	8.7
215.14281	2.0
215.16122	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.7
55.01858	10.5
55.05524	32.6
57.03433	6.6
57.07071	9.0
57.49737	3.5
59.05001	12.2
61.10209	4.1
67.05505	56.7
68.45292	3.9
68.99785	4.5
69.03427	11.9
69.07077	42.8
70.57128	12.7
71.04996	41.8
72.08031	3.7
73.30663	4.5
79.05509	27.6
79.09969	4.0
81.03416	19.0
81.07059	70.2
83.04983	7.1
83.08614	18.8
85.02905	5.2
85.06549	17.3
87.00829	6.1
91.05471	17.1
91.51328	3.9
93.07054	46.2
95.04980	17.3
95.08606	74.8
96.05322	8.7
97.02895	4.2
97.10188	11.1
98.97575	7.7
99.04459	9.8
99.08118	14.0
105.07032	18.8
107.04975	6.4
107.08599	64.7
109.02878	8.6
109.06585	4.8
109.10162	100.0
110.03688	14.3
111.08084	10.9
113.09653	7.9
117.98105	4.0
119.08570	11.1
121.10153	80.4
123.04429	10.9
123.11710	15.2
124.04768	13.2
125.09629	7.9
125.13293	5.0
127.03944	19.9
129.07002	11.5
131.08650	7.6
133.10165	7.5
135.11711	27.9
137.13275	14.9
139.11179	7.5
142.07780	16.1
143.08537	32.5
145.10139	7.5
149.09531	4.4
149.13272	7.6
151.14856	4.3
153.12782	12.3
156.07385	12.0
156.09370	8.9
157.10123	44.3
165.06964	7.7
167.12627	4.6
169.10109	4.3
170.10913	7.0
171.11726	29.4
176.04597	4.8
177.16399	64.4
184.06921	22.2
185.09618	7.1
185.13242	8.8
195.11723	4.4
195.13922	5.8
195.17490	35.2
210.91492	3.7
213.03940	9.7
213.07318	5.3
213.09151	12.2
213.10878	5.8
213.12729	14.1
213.16455	72.3
213.18497	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03933	4.1
55.01862	5.3
55.05258	2.5
55.05510	35.1
56.37267	1.7
57.03428	5.9
57.07086	9.5
58.61713	1.9
59.04987	4.1
60.85626	1.8
62.57168	1.7
67.05166	2.3
67.05502	25.8
68.99785	1.8
69.03422	5.4
69.06719	3.1
69.07072	60.8
71.04997	11.5
71.08629	2.0
71.57620	2.1
71.57993	2.0
73.70056	1.6
79.05493	20.6
81.03414	5.2
81.07059	93.4
83.04971	7.6
83.08620	22.9
85.02895	13.0
85.06057	2.9
85.06541	30.1
88.07614	2.0
91.05495	11.4
91.89986	1.6
93.07054	39.4
95.04984	3.8
95.08610	100.0
97.06515	6.0
97.10164	20.1
99.04483	2.1
99.08089	30.0
105.07017	7.1
107.04945	6.5
107.08596	43.8
108.82565	1.7
109.02884	5.6
109.10162	26.8
111.08072	6.6
111.11713	4.8
113.09662	9.8
119.08587	5.6
121.10142	68.4
123.11729	8.4
125.09638	8.3
127.03924	12.7
128.06224	4.2
129.07004	5.3
133.10152	3.3
135.04390	6.0
135.11699	25.3
137.13242	20.3
139.11177	6.9
141.07028	2.9
142.07776	5.0
143.08533	8.4
149.13242	7.1
151.03885	2.3
151.14848	2.0
153.12733	8.0
155.08519	3.0
156.09305	5.1
157.06425	3.3
157.10130	16.5
169.09999	2.1
170.03618	2.7
170.10823	2.5
171.08116	2.2
171.11717	12.3
177.09068	2.6
177.16393	49.7
185.13281	5.0
195.10133	3.6
195.17444	7.1
213.05508	8.0
213.09372	8.7
213.13010	9.4
213.14658	3.0
213.16451	21.3
213.18410	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
52.14273	1.8
53.03930	4.2
55.01857	5.3
55.05519	16.7
56.07080	1.7
57.07071	4.2
59.59453	1.6
61.86541	1.7
67.05498	4.4
69.03419	5.1
69.07071	22.7
70.88228	5.7
71.01347	6.5
71.04984	5.5
79.05493	7.8
81.03422	4.1
81.07059	27.3
83.08624	12.6
85.02914	3.8
85.06526	6.4
91.05475	8.5
93.07052	21.2
95.08615	40.0
97.02870	2.3
97.10167	10.1
99.08105	22.6
100.11267	4.5
103.05535	2.8
105.07014	5.7
107.04950	18.9
107.07883	2.4
107.08601	41.6
109.02901	5.1
109.10162	12.3
111.08103	18.1
113.09658	3.5
117.07056	2.2
119.08559	3.0
121.02847	4.0
121.10154	65.0
123.11689	3.0
125.09626	8.5
127.03943	9.7
129.07002	5.0
135.04410	22.2
135.11714	15.5
137.13237	10.4
139.11163	3.5
141.06987	5.7
141.11447	2.2
143.08554	8.3
149.13264	5.0
151.39420	2.2
151.49124	1.7
152.06200	4.6
155.08440	1.8
157.10139	5.1
165.07129	4.6
167.08551	14.5
171.11696	2.5
177.16400	100.0
195.08121	7.3
195.17432	10.5
197.89696	2.2
213.05669	1.8
213.09152	32.9
213.12578	2.7
213.16393	4.9
213.18362	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03954	2.1
55.01869	1.1
55.05514	20.0
56.96549	1.0
57.03428	1.5
57.07075	10.9
65.57780	0.7
67.05508	4.4
67.22439	0.8
68.99786	1.1
69.03435	3.9
69.07077	4.4
70.19067	2.4
70.60838	0.8
71.04988	1.3
75.29729	0.8
79.05502	4.6
81.03399	0.8
81.07056	6.6
83.04979	8.4
83.08618	1.2
85.06542	5.5
88.07600	0.8
88.71415	0.8
91.05466	5.8
91.89127	0.8
93.07049	14.1
95.04991	1.9
95.08611	13.1
97.06554	6.5
98.21425	1.1
105.07036	6.6
107.04912	1.0
107.08604	20.1
109.06533	5.3
109.10171	2.5
111.00819	2.6
111.04450	100.0
111.08069	4.1
113.05985	1.5
115.05466	0.9
116.35854	0.8
117.07027	2.8
119.08559	4.0
121.06493	2.5
121.10174	4.0
122.07290	1.1
122.50525	0.8
123.08040	1.2
125.05066	1.4
125.05997	27.0
127.03899	5.2
127.07535	2.5
128.06232	2.3
129.07034	2.8
130.07820	2.3
131.08510	1.6
135.08057	13.4
135.11702	20.9
137.13246	2.2
139.07523	5.7
141.95860	0.9
142.07748	3.0
143.08612	4.0
145.10139	16.0
153.01872	1.1
153.12766	5.5
155.08669	1.0
156.09364	1.6
157.10158	4.5
163.11186	23.2
165.06979	1.5
169.05081	0.9
170.10902	1.5
171.08072	0.9
171.11684	4.9
172.05499	1.1
181.12239	40.4
183.11682	1.3
185.06000	1.0
185.13263	1.1
195.06548	8.3
195.08061	1.6
195.13829	4.4
198.10353	1.0
199.07916	1.2
213.05502	1.5
213.09204	6.9
213.12898	4.5
213.14580	1.2
213.16435	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01886	4.9
55.05512	15.6
55.77467	0.9
57.07075	3.4
57.67428	1.0
67.05505	7.7
67.72918	0.9
69.03430	2.6
69.07072	18.9
70.85504	1.9
70.85843	1.1
71.05001	6.5
72.08128	1.0
79.05507	7.9
81.03431	2.0
81.07060	27.5
83.04976	1.2
83.08629	12.8
85.02905	4.4
85.06534	5.2
91.05492	4.7
93.07057	21.4
95.04961	1.1
95.08612	43.7
95.49830	1.0
95.96827	1.0
96.13197	0.9
97.02894	1.7
97.06535	1.4
97.10180	9.4
98.20816	1.5
98.97589	3.1
99.08097	33.7
105.07044	5.4
107.04963	2.3
107.08604	44.9
109.02891	2.4
109.10160	17.3
111.08091	17.6
113.09679	2.3
119.08594	1.9
121.10147	71.6
123.08081	1.3
123.11724	3.0
125.09644	5.8
127.03942	3.7
128.06239	1.6
129.06987	1.5
135.04445	1.2
135.11699	13.9
137.13258	8.7
139.11218	2.7
142.07799	2.6
143.08585	2.2
149.09602	1.1
149.13266	6.1
150.23277	1.0
151.14842	1.2
153.12758	1.6
157.10150	3.8
167.07117	1.6
169.10063	2.1
170.10907	2.0
177.16391	100.0
178.16705	1.6
179.67967	1.2
185.09583	2.6
189.92662	0.9
195.06570	2.8
195.10223	2.8
195.17442	15.0
198.10599	1.5
213.05574	1.3
213.09113	2.6
213.12723	2.9
213.14619	1.4
213.16440	3.2
213.18558	7.9
214.08682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.04003	1.6
55.01703	0.7
55.01933	1.5
55.05349	1.2
55.05591	2.1
56.96654	5.0
57.03497	1.2
59.53267	0.8
65.03995	1.5
65.25510	0.7
67.05589	3.2
67.57413	0.6
69.03515	3.0
69.06812	0.9
69.07153	2.7
70.06683	9.7
70.66609	0.8
70.66930	1.4
71.05084	2.1
72.08246	4.3
73.02982	1.1
78.04799	2.0
79.05088	1.2
79.05586	14.0
81.03524	3.3
81.07067	3.5
83.05055	1.6
83.08696	0.8
84.08199	1.4
84.96088	1.0
85.02979	1.6
86.09720	3.8
88.07687	0.9
91.05488	12.3
93.07053	10.5
95.04976	5.5
95.08705	2.4
96.05830	0.7
97.02964	1.9
97.06589	1.7
98.97589	9.8
99.00906	0.7
99.04553	2.3
99.08220	0.7
103.05468	8.5
105.04551	0.8
105.07037	15.4
106.04248	1.9
107.04964	60.1
107.08602	25.5
109.02947	2.6
109.06588	3.0
109.10233	2.0
110.03711	1.9
110.97654	2.7
111.04501	2.5
111.08148	1.9
114.09249	0.9
115.05432	5.1
116.06324	1.2
116.07150	1.0
116.98708	3.0
117.07023	7.2
119.05018	2.2
119.08588	18.6
120.05791	2.2
121.02951	1.2
121.06522	3.7
121.10145	17.3
123.04445	8.3
123.08141	2.5
124.05282	3.8
125.06066	2.4
125.09711	1.4
127.03907	5.1
128.06262	0.8
128.98666	4.2
129.07069	2.0
131.04977	2.1
131.08571	10.9
133.06563	2.3
133.10188	2.1
134.03664	0.9
134.99728	1.2
135.04489	1.8
135.08066	21.2
135.11754	1.1
137.06024	2.5
137.09671	0.9
139.03992	2.1
139.07620	0.9
140.04768	2.7
142.07820	0.8
143.08609	1.3
145.10132	0.7
146.99692	1.5
147.04388	1.7
147.08081	7.4
148.97394	1.3
149.06018	1.0
149.09628	15.2
149.10727	1.1
149.13219	1.0
151.03952	3.2
151.07596	1.8
152.04706	2.6
153.05473	1.3
153.09132	2.4
154.06407	2.6
155.07069	1.3
157.10164	1.5
158.99707	2.1
159.08101	2.7
163.03972	1.3
163.06129	0.9
163.06371	0.5
163.07552	26.1
165.09105	7.8
167.07056	100.0
168.04373	0.8
168.08092	1.3
177.00699	1.5
177.09116	27.1
177.12517	0.8
177.16341	1.9
180.07776	2.4
183.06589	1.1
185.09601	1.0
190.00237	1.4
195.06502	1.8
195.08340	1.1
195.10182	18.5
195.15712	0.9
208.01169	2.0
213.03796	1.8
213.05583	1.0
213.09108	2.8
213.11145	23.8
213.15977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	Melazolide A
Peak:m/z	Relative Intensity
50.72378	1.0
53.03934	2.9
55.01855	3.5
55.05491	3.8
56.96568	5.9
57.03429	2.6
59.04983	1.6
65.03936	3.8
67.05482	4.6
69.03450	7.2
69.07043	4.7
70.06605	6.1
70.73627	1.5
70.73947	1.8
71.04985	3.2
72.08147	2.3
73.02918	2.4
79.05507	14.5
81.03407	4.9
81.07056	5.7
83.04958	3.7
84.08114	2.4
84.67033	1.0
85.02921	6.0
85.06528	1.6
86.09689	3.0
88.07621	1.1
91.05488	57.1
93.03447	1.6
93.07057	26.0
95.04977	8.1
95.08620	6.1
96.05289	1.9
97.02866	3.5
97.06503	3.0
98.97586	9.3
99.04441	4.7
99.08125	1.1
103.05448	1.5
105.07040	39.7
107.04955	9.7
107.08599	54.6
109.02851	3.3
109.06515	5.3
109.10134	3.1
110.03664	2.0
110.97568	2.5
111.04398	2.3
111.08027	1.7
116.06213	2.2
116.07047	1.4
116.98577	2.3
117.06985	3.0
119.04958	18.3
119.08589	100.0
120.05717	1.4
121.02883	13.1
121.06517	7.6
121.09327	1.5
121.10158	26.8
123.04420	3.1
123.08088	9.3
124.99041	1.1
125.02236	1.1
125.05966	3.8
125.09610	2.9
127.03930	7.0
127.18935	1.0
128.98611	2.2
129.07028	5.4
131.04921	1.4
131.08578	36.8
133.06465	3.7
133.10139	7.5
135.04417	2.8
135.08073	9.2
137.05954	1.7
137.09624	5.5
139.03934	1.4
139.07593	1.5
142.07744	1.9
143.08464	1.3
144.04736	1.6
145.05081	2.7
146.99619	1.1
147.06946	2.1
147.08057	29.3
148.97331	1.2
149.05981	2.9
149.09631	36.7
151.03903	2.8
151.07538	2.2
152.06187	1.2
153.05443	4.8
153.09039	3.1
157.06477	1.2
157.10182	1.7
159.08086	9.6
163.03922	1.8
163.07570	1.1
165.06943	1.9
165.09135	31.4
167.07077	15.0
167.08521	1.9
167.10670	12.1
169.07561	2.4
172.86774	1.4
175.04007	1.1
177.09119	33.2
185.09639	1.2
193.01695	2.1
195.03305	2.2
195.06454	2.6
195.10181	31.0
208.01204	1.3
213.03967	2.0
213.09225	5.1
213.11183	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0911
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
51.02389	0.7
53.03951	2.6
53.39098	0.7
55.01877	2.3
55.05502	1.5
56.96560	4.2
57.03422	1.0
57.07069	0.7
61.02926	5.6
61.84649	0.7
65.03945	7.2
67.05502	3.0
69.03429	4.1
69.07055	1.3
70.06602	6.1
70.29920	2.3
71.05003	1.2
72.08169	4.9
73.02911	0.8
77.03926	1.3
79.05497	13.4
81.03420	1.9
81.07064	1.7
82.06567	0.7
83.04996	1.0
84.08162	1.3
84.96037	0.7
85.02911	2.7
86.09707	3.1
88.03974	0.9
88.07639	0.9
89.03925	1.5
91.05486	97.2
92.05829	0.9
93.03415	6.2
93.07068	2.2
94.04170	0.8
95.04975	8.8
97.02905	1.9
98.97584	5.0
99.04462	1.6
100.09801	0.6
103.05503	0.8
105.03387	1.7
105.04488	0.9
105.07048	1.7
107.04960	28.2
107.08605	2.0
108.02110	2.1
109.02882	1.9
109.06572	0.9
110.03665	14.7
110.97625	1.0
111.04453	8.2
115.05418	0.8
116.07072	1.2
116.98639	2.2
117.03392	1.7
119.04950	100.0
119.08586	2.9
120.05769	9.1
121.02882	2.0
121.06522	8.6
121.10133	1.3
122.03634	3.8
123.04444	0.9
125.02314	0.7
125.06001	33.0
126.10297	1.0
127.03907	3.0
128.71555	0.6
128.98650	1.3
129.07033	0.9
130.96320	2.4
131.08574	1.1
133.02849	6.4
134.03654	0.7
134.99767	0.7
135.04419	14.5
135.08055	1.1
137.05969	3.2
141.05463	2.6
141.46834	0.7
143.00192	0.8
144.05788	1.4
145.06552	0.8
146.99640	0.7
147.08054	0.7
148.97365	2.1
149.05998	12.2
149.07091	1.2
149.09636	1.4
150.03128	6.4
150.04271	0.9
150.05536	0.7
151.03923	56.9
151.05040	6.5
152.05057	1.1
152.06206	7.2
153.05466	10.2
157.06497	2.6
162.03181	1.5
163.03914	4.0
163.05090	0.7
165.04135	1.2
165.05493	22.7
165.07005	6.5
165.09125	1.1
166.07799	2.4
167.03407	1.7
167.05545	1.0
167.07051	13.2
167.08574	9.3
169.06470	1.0
170.04103	0.8
170.07198	1.1
171.08058	0.7
176.06123	3.4
177.00636	0.7
177.05490	12.3
177.07018	6.8
177.09120	1.2
183.36926	0.7
185.09610	2.2
189.00742	1.1
193.01662	1.0
194.07361	1.2
195.03284	1.6
195.04895	1.2
195.06522	7.5
195.08099	5.9
195.10132	1.8
197.05946	1.1
198.06786	1.4
208.01343	1.0
213.05672	1.5
213.07494	2.6
213.09189	20.1
213.11192	1.7
213.16010	0.9
228.10651	0.7
228.44460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.6
57.03425	0.8
59.76451	0.5
60.28920	0.6
61.02916	0.6
70.29549	2.0
73.02915	1.0
74.16949	0.6
75.73468	0.5
77.24403	0.6
85.02902	1.2
98.97564	2.0
110.97548	1.0
116.98650	0.6
118.29410	0.5
128.98625	0.6
143.00223	0.8
158.99715	0.5
201.00833	0.6
212.06842	100.0
225.07632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0686
Annotation	(4-Chlorophenyl)biguanide
Peak:m/z	Relative Intensity
54.46986	0.4
58.47995	0.4
71.12725	0.7
71.13038	0.4
99.41120	0.4
104.52615	0.5
212.06854	100.0
213.07164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0909
Annotation	Anthracene-9,10-dihydrodiol
Peak:m/z	Relative Intensity
53.03946	0.3
55.01878	0.5
55.05531	0.2
62.09581	0.2
65.03938	0.2
66.40887	0.1
66.64398	0.1
71.57820	0.2
77.03944	0.3
79.05499	0.5
81.07044	0.2
86.38484	0.2
88.07617	0.2
91.05476	1.0
93.07041	0.2
95.08619	0.2
103.05473	0.6
105.03397	0.6
105.07038	0.3
107.04961	0.2
107.08610	0.2
115.05440	1.6
116.06258	0.2
117.07027	1.0
119.04964	0.3
119.08582	0.2
128.06229	3.4
129.07024	2.2
131.04927	0.6
141.06975	2.1
142.07784	4.0
143.08609	1.0
144.05695	0.7
145.06522	1.4
147.04366	0.2
152.06210	4.1
153.06981	0.8
154.07793	0.2
155.04893	0.4
155.06021	0.5
155.08540	0.3
156.05739	0.3
156.09277	0.2
157.06512	1.4
157.10110	1.1
159.04425	9.9
160.05040	0.3
161.05927	0.2
165.06993	2.0
166.07736	0.4
167.08597	1.5
168.05739	0.2
169.06493	7.3
170.07280	7.2
171.04420	0.7
171.08066	2.3
171.11635	0.3
173.05986	4.5
174.06706	0.4
176.04654	0.6
177.06998	0.2
181.06471	0.5
183.04420	0.3
183.07985	0.5
184.05151	1.1
185.05986	1.6
185.09608	2.8
194.07307	0.3
195.08066	34.9
196.08524	0.7
197.05988	2.9
198.06772	26.3
199.07150	0.4
202.06294	0.5
211.07509	0.7
212.08307	0.4
213.05612	3.3
213.09108	100.0
214.09467	1.9
230.05756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
55.01860	8.8
55.05514	39.7
57.03440	12.5
57.07080	22.0
59.04986	5.0
67.05509	55.5
69.03417	9.7
69.07073	42.9
70.73414	6.9
71.04998	21.9
79.05500	22.1
81.03426	34.0
81.07059	58.4
83.04987	31.5
83.08627	21.6
85.02885	10.0
85.06546	15.8
90.83628	2.3
91.05469	22.2
93.07046	39.8
95.04961	21.8
95.08611	100.0
97.06519	11.8
97.10179	12.2
98.20853	2.6
99.04443	6.5
99.08109	3.9
105.07033	22.8
107.08600	50.9
109.06525	23.3
109.10157	61.8
111.08050	16.8
111.11716	3.9
113.06012	4.2
118.83628	2.8
119.08591	40.7
121.10141	13.5
123.08096	13.3
123.11718	30.7
125.09636	12.4
127.07459	2.9
128.00801	11.0
129.07068	2.5
131.08553	7.2
133.10149	22.6
135.10687	3.3
135.11700	55.0
137.09608	23.3
137.13228	2.9
139.11192	4.2
147.11684	12.6
149.13243	10.5
151.11128	5.8
151.14815	12.8
153.12698	11.1
155.10666	5.2
157.10071	3.4
163.14812	3.9
164.33357	2.4
165.16391	4.6
167.07077	3.1
173.59244	2.6
175.11201	3.2
175.14813	25.0
181.15874	2.8
193.12250	11.3
193.15875	20.8
211.07439	2.5
211.13312	5.0
211.16943	39.3
229.53081	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.05513	26.5
57.03421	3.5
57.07065	5.2
58.05862	1.4
59.04993	6.4
59.37711	1.3
67.05508	39.4
69.03432	11.2
69.07069	16.9
69.39868	12.1
69.40208	2.2
71.04998	16.1
79.05492	10.5
81.03412	8.9
81.07058	34.0
83.04973	16.5
83.08620	14.8
85.06548	13.4
87.08089	2.1
91.05486	10.2
93.07044	19.7
95.04971	74.2
95.08608	61.6
96.84404	1.6
97.06538	5.8
97.10150	3.2
98.20799	3.4
99.04454	13.3
99.08096	59.8
99.74650	1.4
101.06023	4.5
105.07035	14.9
107.08596	35.4
109.06512	10.9
109.10159	100.0
111.07387	1.6
111.08078	6.5
113.05964	2.8
113.09605	3.2
119.08588	21.4
121.10158	14.7
123.08088	10.6
123.11719	12.5
125.09634	9.9
127.11183	2.1
129.07043	2.0
131.08597	1.8
133.10133	22.5
135.11696	56.3
137.09616	45.8
139.11121	2.7
147.11670	3.4
149.13243	6.3
151.11203	9.3
151.14793	10.8
153.12727	9.5
155.10667	25.1
157.10152	1.5
165.16409	2.4
167.07108	3.1
169.10132	1.9
175.11240	1.7
175.14821	19.7
183.08124	1.4
193.12277	4.6
193.15874	24.8
211.07553	1.6
211.14890	3.0
211.16905	28.1
223.82433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01866	1.5
55.05515	21.1
57.03423	2.5
57.07069	4.0
59.04995	3.2
63.59792	1.4
67.05510	27.6
67.12447	1.3
69.03420	4.8
69.07067	10.5
70.20747	5.3
71.04997	13.2
77.17448	1.5
79.05514	6.5
81.03425	3.4
81.07063	23.8
83.04993	9.6
83.08618	12.6
84.62320	1.3
85.06546	10.2
91.05466	4.8
93.07047	17.0
95.04362	2.9
95.04974	57.9
95.08612	51.3
97.06535	4.5
97.10156	1.5
99.04455	15.6
99.08102	100.0
101.06015	5.2
105.07053	7.8
107.08585	17.3
109.06540	9.2
109.10160	66.8
111.08084	4.9
113.05997	3.4
113.09683	3.0
119.08607	14.7
121.10136	8.5
123.08095	9.0
123.11691	7.6
125.09641	6.0
127.07513	1.9
127.11154	2.4
133.10143	13.8
135.11707	25.8
137.09627	35.1
149.13263	4.0
151.11147	6.5
151.14824	9.8
153.12778	3.0
155.10681	29.8
165.16425	3.0
175.14830	16.3
183.08121	4.2
193.15872	18.2
211.07600	2.6
211.16922	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03947	5.5
55.01875	8.1
55.05514	52.4
56.96569	2.3
57.03441	11.0
57.07072	3.3
59.04992	2.5
64.98451	0.9
65.03939	2.9
67.05510	45.3
69.03436	16.9
69.07072	18.7
69.32668	1.6
69.33069	4.9
71.04996	13.5
79.05499	38.5
81.03423	100.0
81.07061	54.5
82.03730	1.2
83.04986	54.6
83.08624	35.7
85.02910	1.5
85.06548	13.4
91.05486	38.0
93.07049	32.0
95.04974	44.2
95.08613	41.9
97.02892	3.8
97.06528	7.7
97.10171	9.0
99.04481	4.6
99.08096	18.8
101.08284	1.0
103.05502	1.1
105.04507	1.3
105.07031	31.7
107.04965	7.6
107.08600	21.0
109.06520	10.8
109.10161	35.8
111.04462	3.4
111.08085	16.6
113.06008	3.4
113.09654	1.7
115.05459	2.4
117.07047	2.1
119.04970	1.6
119.08586	34.1
120.08848	0.8
121.06519	2.9
121.10144	16.1
123.04427	1.6
123.08087	10.2
123.11711	7.1
125.09633	11.3
127.07541	1.7
127.11201	2.1
129.07013	14.4
131.08566	11.1
133.06464	4.4
133.10138	19.8
135.08096	0.8
135.11696	23.8
137.06001	1.8
137.09618	16.4
137.13184	0.9
141.07005	1.5
142.07755	3.0
147.08110	4.2
147.11688	19.1
149.06007	1.7
149.09627	4.3
149.13266	4.4
151.07518	1.2
151.11189	3.7
151.14818	3.0
153.06989	2.0
153.12766	5.0
154.07890	1.0
155.08549	3.2
155.10664	5.3
157.10135	15.1
163.11139	1.0
163.14903	2.5
164.54588	1.2
165.05637	1.7
165.06970	7.2
165.12813	4.8
167.07068	8.0
168.05685	1.0
169.10152	4.6
173.75166	0.9
175.11205	14.6
175.14856	11.1
183.08052	19.3
183.11667	1.5
193.04980	0.8
193.12257	32.2
193.15880	10.9
194.12720	1.1
196.12436	1.8
211.07571	8.1
211.11322	3.1
211.13297	13.9
211.14911	3.3
211.16766	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03921	2.1
55.01866	5.8
55.05260	1.9
55.05512	30.3
57.03437	21.5
57.07074	18.5
59.04987	6.1
65.03951	1.5
67.05505	47.9
69.03425	10.3
69.06723	2.3
69.07073	42.1
70.59127	4.2
71.04992	27.1
71.08621	3.5
74.69038	1.6
74.83790	1.3
78.04717	1.4
79.05495	15.9
81.03426	11.4
81.07059	57.7
83.04985	26.6
83.08629	16.7
85.02910	13.5
85.06541	18.7
91.05481	14.1
93.07048	35.8
95.04976	29.6
95.08610	100.0
97.06536	13.1
97.10168	9.9
99.04447	10.1
99.08097	25.4
101.06036	1.7
101.09677	2.4
105.07021	19.8
107.07877	1.7
107.08597	44.1
109.06532	17.9
109.10159	65.9
111.08082	11.4
111.11707	2.4
113.06007	6.2
113.09675	2.8
119.07785	2.8
119.08581	37.1
121.10139	18.0
123.08067	10.4
123.10811	2.1
123.11707	29.4
125.09637	12.1
127.07556	2.5
129.07008	1.9
131.08575	2.2
133.10138	24.0
135.10672	2.9
135.11700	55.5
137.09624	29.5
137.13277	2.9
139.11215	3.1
147.11661	6.2
149.13268	9.0
151.11176	6.3
151.14789	12.6
153.12738	9.9
155.10664	15.9
157.10104	2.7
163.14857	2.4
164.39478	1.4
165.16396	5.8
167.07011	3.5
175.11201	3.8
175.14835	30.8
193.12262	3.7
193.15892	28.1
211.07587	2.1
211.15063	1.9
211.16939	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.90646	1.3
51.47432	1.4
53.03944	3.5
55.01868	5.3
55.05513	28.8
57.03436	11.1
57.07082	16.6
59.04999	5.6
65.03959	2.6
67.05166	2.9
67.05508	47.8
68.96815	1.5
69.03432	9.7
69.06718	3.0
69.07069	44.7
69.60848	6.2
69.61254	2.8
71.05000	18.6
71.08620	4.5
75.97036	1.3
76.11672	1.6
79.05489	15.3
81.03422	4.9
81.07059	62.8
83.04980	24.1
83.08617	14.7
85.02892	15.4
85.06547	19.0
85.10170	2.4
91.05482	13.5
93.07049	36.2
95.04973	14.1
95.08610	100.0
97.06554	9.5
97.10175	9.0
99.04488	5.1
99.08086	4.3
102.57911	1.8
105.07042	17.7
107.08600	49.0
108.05794	1.5
109.06515	19.1
109.10164	77.0
111.08095	12.0
111.11734	3.6
113.06013	6.8
119.06133	1.6
119.08585	47.8
121.10151	16.9
123.04429	2.2
123.08061	15.8
123.11708	29.3
125.09644	13.0
126.99394	1.4
127.07590	3.2
127.11197	2.0
129.55095	1.6
131.08580	1.9
133.10144	22.5
135.11699	68.0
137.09615	26.0
139.11200	4.2
141.09084	2.0
145.10182	1.5
147.11694	6.1
149.13266	10.6
151.11171	6.1
151.14803	13.3
153.11713	1.9
153.12759	11.9
155.10672	6.4
158.91045	1.6
163.14798	2.2
165.12756	1.6
165.16391	5.7
175.14822	34.1
180.65027	1.6
181.15901	2.5
191.46718	1.6
193.15877	30.3
211.16951	39.5
219.48009	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.97339	0.7
53.03947	2.3
55.01880	3.3
55.05514	34.2
57.03441	7.8
57.07077	3.6
59.05008	4.5
59.48770	0.8
65.03594	0.6
65.03929	1.3
65.59227	0.8
67.05509	36.0
69.03440	9.5
69.07073	11.1
70.09775	3.1
71.01366	0.9
71.04997	17.1
79.05499	17.4
81.03423	43.4
81.07062	35.2
83.04987	29.3
83.08624	27.3
85.06549	6.7
85.10200	0.8
91.04957	1.4
91.05487	19.3
91.76800	0.7
93.07055	19.9
95.04974	57.4
95.08613	52.7
97.06537	6.0
97.10159	3.9
98.20747	1.4
99.04463	18.2
99.08099	100.0
101.05999	4.3
105.07036	16.2
107.04960	2.5
107.08597	16.5
107.09283	1.2
109.06535	7.8
109.10164	54.4
111.04477	0.9
111.08080	7.3
111.11736	1.0
113.06033	2.4
113.09653	2.7
115.05476	0.8
117.06992	1.4
119.08593	15.5
121.06503	1.7
121.10156	7.9
123.08089	5.9
123.11709	6.4
125.09635	7.0
127.07550	1.3
127.11216	1.2
129.07002	4.9
131.08560	5.9
133.06499	1.1
133.09171	0.4
133.10138	14.6
135.11691	15.5
137.09619	28.5
139.11249	0.8
140.82762	0.6
142.07797	1.7
145.10104	1.0
147.08066	1.0
147.11707	7.9
149.09630	2.4
149.13271	2.9
151.11203	2.9
151.14816	5.5
153.12758	2.0
155.08693	1.2
155.10684	27.4
157.10146	8.5
161.46352	0.9
165.12775	1.3
165.16431	1.4
167.07051	2.2
169.10120	1.9
175.11195	8.4
175.14809	7.8
181.10104	1.1
193.12260	14.6
193.15909	16.1
196.05051	0.7
207.43745	0.7
211.07527	3.1
211.11470	1.3
211.13283	5.8
211.15036	1.4
211.16917	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	211.133
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03952	6.5
53.67704	0.7
55.01881	6.7
55.05516	50.2
56.96568	3.0
57.03445	8.6
57.07069	2.6
59.04993	2.6
65.03938	1.6
67.05508	40.8
69.03069	1.4
69.03432	15.9
69.07073	16.6
69.98634	2.3
69.99046	1.6
71.04998	10.3
71.08627	1.0
73.06561	1.2
79.05498	39.1
81.03423	100.0
81.07061	44.2
83.04987	53.6
83.05511	0.8
83.08624	38.2
85.02918	1.7
85.06556	5.4
87.04490	0.9
91.04896	0.9
91.05485	41.0
93.07050	23.8
95.04975	44.6
95.08611	26.7
95.09235	0.9
97.02910	3.7
97.06538	7.1
97.10163	8.0
97.99192	0.9
99.04494	3.4
99.08095	13.9
101.06036	1.1
105.04528	1.1
105.07037	28.8
107.04961	7.3
107.08600	16.2
109.06517	9.0
109.10161	22.4
111.04460	3.5
111.08089	16.1
113.06029	1.2
115.05466	2.8
117.07045	2.4
119.04966	1.6
119.08587	26.5
120.08887	0.9
121.06532	2.2
121.10140	11.2
123.04471	0.9
123.08085	8.4
123.11702	6.5
125.02283	0.9
125.09636	9.1
127.07617	0.9
127.11200	1.7
128.06245	1.9
129.07024	12.5
131.08583	12.2
133.06497	2.9
133.10133	18.5
133.11066	1.2
135.11703	10.5
137.05978	1.3
137.09625	15.7
141.06982	1.6
142.07814	2.4
144.28914	0.7
145.10179	2.0
147.08095	4.4
147.11691	16.1
149.09637	8.5
149.13327	1.7
151.07556	0.8
151.11185	2.8
151.14870	2.1
153.12737	1.4
153.91931	0.7
155.08618	2.4
155.10677	5.1
157.10147	15.2
165.05713	0.8
165.07043	1.8
165.12781	4.4
165.16475	0.9
167.07045	6.3
168.05768	1.3
169.10095	3.5
175.11194	14.1
175.14847	6.9
183.08064	2.4
183.11806	1.1
193.12245	31.8
193.15862	6.0
196.12527	2.3
206.26085	0.8
211.07709	3.4
211.11270	2.0
211.13315	12.6
211.14922	4.0
211.16989	7.2
214.25618	0.7
229.07544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03936	5.0
53.92025	1.2
54.01499	1.2
55.01865	5.7
55.05515	42.9
57.03444	9.3
57.07082	1.9
59.04991	1.8
63.39419	1.1
67.05168	1.8
67.05508	30.0
68.64932	1.2
69.03437	9.6
69.07072	11.0
70.61363	2.2
70.61704	1.7
71.05007	7.6
76.96710	1.3
79.05057	2.5
79.05495	36.1
81.03423	100.0
81.07059	40.3
83.04983	45.8
83.08630	32.8
85.06544	4.3
91.05486	35.0
92.05786	1.2
93.07050	18.6
95.04976	37.0
95.08617	18.4
97.02881	3.5
97.06522	4.3
97.10172	6.3
99.04446	3.4
99.08094	16.3
105.07040	26.7
107.04957	7.4
107.08589	10.9
109.06496	8.7
109.10149	12.5
111.04452	2.8
111.08084	12.0
115.05426	2.2
119.08581	19.2
121.06502	3.6
121.10139	6.7
123.08092	2.5
123.11709	3.0
125.09641	2.7
129.07021	11.3
131.00038	1.3
131.08585	11.2
133.06505	2.9
133.10149	13.7
135.11699	2.0
137.09598	6.1
142.07776	3.0
145.10161	1.5
147.08093	2.2
147.11697	17.2
149.09634	6.5
151.11209	1.5
151.73387	1.4
155.10689	2.4
157.10159	14.4
158.07042	1.2
165.12741	4.1
175.11195	18.1
175.14815	3.3
193.12244	31.5
193.15915	2.9
211.07626	2.6
211.13280	14.5
211.16882	5.2
222.39909	1.3
226.27837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0755
Annotation	9,10-Dihydroxyanthracene
Peak:m/z	Relative Intensity
53.03936	0.9
55.01877	3.2
55.05514	9.6
56.96563	1.2
57.03434	1.7
57.07065	0.9
58.46051	0.3
59.05005	0.5
61.81818	0.3
65.03952	0.4
67.05507	7.9
68.99784	1.7
69.03074	0.4
69.03432	8.3
69.07067	3.6
70.82240	0.3
71.04995	2.4
71.56116	0.5
79.05492	5.9
81.03423	14.0
81.07060	9.8
83.04986	13.0
83.08623	8.7
84.96075	0.3
85.02927	0.4
85.06542	2.0
91.05486	5.6
93.07052	4.3
95.04967	6.8
95.08610	5.5
97.02911	0.5
97.06531	1.3
97.10165	1.1
97.99203	0.3
99.04460	0.7
99.08105	2.3
101.06037	0.3
103.05475	0.6
105.03391	0.4
105.07043	4.5
107.04956	1.3
107.08590	3.3
109.06527	1.6
109.09451	0.5
109.10162	7.7
111.04477	0.3
111.08071	2.0
113.05983	0.3
115.05436	1.0
117.06975	0.5
119.04915	0.3
119.08595	4.7
121.10130	2.3
123.04423	0.4
123.08054	1.5
123.11705	3.8
125.09625	1.7
127.11182	2.1
128.06226	0.3
129.07005	2.4
131.08588	1.9
133.06529	0.6
133.10138	2.3
135.11700	3.3
137.05956	0.5
137.09576	1.4
139.40910	0.3
141.06995	18.4
142.07794	0.5
143.08554	0.5
145.10172	0.3
147.08098	0.4
147.11688	3.3
149.09622	1.0
149.13327	0.5
151.03925	0.4
151.07500	0.4
151.11189	4.3
151.14899	0.4
152.06184	0.7
153.06973	3.2
154.07753	1.1
155.04919	1.0
155.06046	0.5
155.08560	9.7
155.10678	0.8
156.92332	0.3
157.10133	2.3
161.05995	1.2
165.07008	50.1
166.07341	0.7
167.07047	2.6
167.08578	1.3
167.14320	1.8
168.05698	1.1
169.06435	0.5
169.10115	1.2
173.13350	0.4
175.11197	2.7
175.14778	1.4
179.07198	0.3
181.10146	0.7
182.07314	0.4
183.08066	20.3
189.05769	0.4
193.06494	19.8
193.10442	0.7
193.12231	6.0
193.15913	1.6
194.07213	0.5
196.05130	0.5
196.12492	0.6
197.05998	0.8
210.06781	0.9
211.07549	100.0
211.13213	1.8
211.14854	2.4
211.16937	2.8
212.07895	1.7
215.04135	0.3
226.83936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01842	0.5
55.05489	1.0
56.05012	0.2
56.96338	0.2
56.96566	2.7
57.03410	0.4
58.32387	0.3
61.02929	0.3
62.06068	0.5
65.61221	0.2
67.05500	0.3
69.03399	0.9
69.07071	0.4
70.06595	0.5
70.09162	1.0
71.04993	0.6
71.17887	0.3
72.04527	1.4
73.02908	0.7
73.06538	0.3
73.84245	0.3
74.06067	0.3
79.05131	0.2
79.05499	2.7
81.03426	1.4
82.06564	1.2
83.04979	0.5
84.08126	0.8
84.96037	0.3
85.02895	0.8
90.05564	0.3
91.05492	4.5
91.75454	0.3
92.05795	0.3
93.07027	1.2
94.06584	1.7
95.01333	0.8
95.04957	0.6
95.08588	0.3
97.02881	0.8
98.21380	0.4
98.97581	2.8
103.05476	5.7
105.06387	0.5
105.07041	7.9
107.04956	2.1
110.06036	0.5
110.97590	0.3
111.04418	0.4
112.03986	0.3
115.00696	0.3
116.98587	0.8
117.05754	1.4
117.07021	3.1
118.04936	0.3
118.06561	3.9
119.01806	0.5
119.06557	0.5
119.07338	6.8
119.08603	0.9
120.08120	8.8
121.06485	1.1
122.06040	0.4
124.03968	2.1
128.02319	0.3
128.06259	1.4
128.98595	0.4
129.07013	5.4
129.07925	0.6
130.06529	0.6
131.00197	0.3
131.04933	1.8
131.07335	1.8
132.08055	0.3
136.07594	0.4
137.06003	0.5
143.00024	0.3
144.08089	1.2
146.08490	0.4
146.09656	7.4
147.03232	0.4
147.09985	0.4
148.07568	0.8
155.04637	0.6
158.99673	0.8
162.09134	0.9
164.10724	100.0
165.04420	0.4
165.11053	1.2
167.07031	1.0
169.01590	0.3
177.00754	0.5
182.08138	0.3
187.02803	0.7
192.10199	1.8
193.10870	0.5
205.03908	0.5
210.04649	0.3
210.07957	0.6
210.09346	0.7
210.11285	14.1
210.56303	0.3
211.11613	0.3
219.01955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1127
Annotation	p-Lactophenetide
Peak:m/z	Relative Intensity
53.03936	3.1
55.01884	7.6
55.05517	5.7
56.96574	5.9
67.05501	3.1
69.03443	5.5
71.05005	6.4
71.14449	2.6
73.02891	1.2
79.05491	2.2
80.05003	4.2
81.03423	41.9
81.05815	1.9
81.07043	1.8
82.06113	2.1
82.06588	42.9
83.04987	16.8
85.02892	1.9
87.04460	1.5
90.92857	1.1
91.05476	2.3
93.05755	1.2
93.07042	2.4
94.06576	67.4
95.04948	2.6
95.07373	6.6
95.08609	1.4
96.04498	1.5
96.08124	6.3
97.02886	1.9
98.97585	1.3
99.04477	1.2
105.07036	1.6
106.06551	1.8
107.07346	2.3
108.08108	8.6
109.06503	1.5
110.06834	1.4
111.04468	8.3
115.03918	3.8
116.98592	1.1
117.05751	1.7
118.06535	5.7
120.08104	16.4
122.06043	4.9
122.09663	2.2
124.07607	1.5
129.05403	2.1
129.07007	1.9
130.06564	1.3
131.07304	4.4
132.08093	9.1
133.08936	1.2
134.09639	3.7
136.07579	13.3
138.09140	6.7
145.96617	1.9
146.09636	13.9
148.07588	18.4
149.08365	2.2
150.09116	6.7
162.09152	24.4
163.97728	1.5
164.10698	5.8
166.08623	2.2
174.09149	6.0
178.05942	1.2
178.08655	1.5
186.99117	2.0
187.02878	1.5
188.97475	1.1
192.10199	40.0
192.14777	1.5
205.98712	1.5
210.11261	100.0
210.15533	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	1.8
55.01858	4.4
55.05504	7.3
57.03430	1.5
57.07076	8.5
59.05013	1.3
62.80325	1.0
65.03934	2.9
67.05502	10.7
69.03072	1.8
69.03427	21.5
69.07088	5.9
69.07387	1.5
69.20085	9.8
71.04977	4.4
75.31526	1.1
75.32035	1.0
77.03901	1.0
79.05496	9.4
81.07057	16.4
83.04980	18.6
83.08614	2.7
85.02911	1.6
85.06535	9.4
86.05709	1.0
89.03909	1.5
91.05482	13.8
93.03404	3.1
93.07051	10.4
95.04971	48.2
95.08605	13.1
97.06551	5.1
98.20788	2.2
98.55379	1.0
99.04456	9.5
99.08044	1.7
103.05463	4.6
105.07053	7.1
106.04189	7.9
107.04927	2.2
107.08601	29.9
109.06544	15.3
109.10162	7.7
111.08085	9.1
119.08585	5.1
121.06519	13.7
121.10146	13.3
123.08077	7.3
123.11697	7.2
125.06003	3.7
125.09634	56.9
131.04955	1.4
131.08612	7.8
133.10152	12.5
134.03630	1.6
135.04431	1.3
135.08051	18.4
135.11713	7.9
137.05994	2.4
137.09583	1.6
139.07512	4.6
143.08571	1.6
145.10127	5.1
147.11684	4.6
148.05092	1.6
149.05965	11.6
149.09630	7.9
149.13278	10.9
150.10443	1.8
151.07553	1.3
151.11189	7.7
153.05492	1.4
153.09114	25.3
153.45323	1.2
158.10909	3.7
161.09642	1.8
163.07529	1.7
163.11172	6.5
163.14825	5.5
165.12762	19.9
167.07008	2.4
167.14272	2.2
173.13272	18.5
177.05493	8.0
179.08507	1.6
181.08586	3.2
191.07054	1.8
191.14313	91.4
192.14702	1.5
209.08061	10.4
209.15367	100.0
227.49022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	5.4
55.01869	8.6
55.05511	85.2
57.03435	8.8
57.07062	4.6
59.04998	5.1
67.05494	16.9
69.03441	15.8
69.07066	12.7
69.27851	14.6
69.28269	13.4
71.04997	16.4
79.05501	17.8
81.07068	31.3
83.01348	12.2
83.04984	99.6
83.08624	42.5
85.06544	8.8
91.05466	13.0
93.07050	35.4
95.04974	100.0
95.08594	27.0
97.06552	33.9
97.10165	11.5
98.20704	6.3
99.04464	20.3
99.08089	9.7
100.06962	3.1
105.07010	15.5
106.04182	8.0
107.08602	53.3
109.06520	70.5
109.10160	45.5
111.08057	20.8
112.17387	2.9
113.09649	3.6
119.08582	15.4
121.06501	8.3
121.10143	41.3
123.08054	29.1
123.11661	16.3
125.09660	30.1
127.07523	4.8
129.06905	3.8
131.08569	12.3
133.10114	37.2
135.08076	15.7
135.11716	5.5
137.09647	6.7
139.07568	6.3
139.11221	5.8
145.10126	6.3
147.11726	5.1
149.05994	5.3
149.09619	19.1
149.13286	21.4
151.11198	44.8
153.09108	45.0
154.09871	5.3
163.14803	8.7
165.12766	6.0
167.14311	57.3
173.13196	15.3
173.18747	3.0
177.05508	4.8
181.15906	4.8
191.14308	39.5
209.08124	4.8
209.11545	3.8
209.15349	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01861	5.4
55.05520	14.4
57.03429	5.3
57.07055	6.8
59.05003	2.1
65.03939	2.4
67.05512	12.5
69.03442	12.3
69.07087	9.3
70.57638	4.7
71.04996	14.0
75.45963	2.1
76.61807	1.8
79.05490	15.6
81.03410	3.3
81.07051	29.3
83.01325	4.3
83.04981	21.3
83.08624	9.3
85.02896	2.7
85.06526	8.1
91.05482	14.0
93.03407	2.2
93.07051	24.8
95.04975	77.7
95.08610	17.7
97.06538	31.9
97.10169	3.7
99.04465	13.4
99.08071	4.7
103.05487	3.7
105.07027	16.1
106.04166	6.3
107.04965	2.7
107.08605	39.2
109.06524	100.0
109.10146	20.2
111.08092	13.9
112.69473	2.1
116.46510	1.9
117.07010	2.4
119.08559	7.7
121.06498	9.4
121.10155	26.8
123.08079	14.9
123.11717	5.7
125.05976	2.3
125.09637	34.4
127.32428	2.3
131.08580	10.7
133.10123	30.5
135.08060	23.1
135.11673	8.0
137.09615	4.0
139.07524	6.0
139.11160	2.6
145.10138	5.2
147.11664	3.6
149.05946	9.4
149.09624	8.3
149.13280	12.0
151.11195	13.9
153.09125	48.5
163.11191	4.0
163.14784	7.2
165.12750	6.7
167.14352	6.1
173.13255	18.7
177.05464	5.8
181.08539	3.8
191.10597	2.5
191.14307	64.6
209.08099	3.7
209.11885	3.4
209.15369	78.0
209.34685	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26432	2.1
52.91708	2.2
53.03957	4.5
55.01874	10.5
55.05513	52.9
57.03436	5.0
57.07073	3.6
59.05002	2.8
63.05695	2.1
64.93707	2.1
65.03944	2.2
67.05508	18.5
69.03442	12.6
69.07076	20.3
70.39101	9.8
71.05005	14.2
73.15878	2.2
78.63905	2.2
79.05504	16.4
81.07065	29.3
83.01336	3.7
83.04990	82.7
83.08616	25.4
85.06551	9.2
91.05474	16.2
93.07054	39.8
95.04974	100.0
95.08600	23.3
97.06532	18.9
97.10181	6.6
98.20805	2.6
99.04472	21.5
99.08080	5.2
103.05473	4.1
105.07034	22.5
106.04177	4.1
107.04971	5.5
107.08592	56.0
109.06530	45.3
109.10160	40.6
111.04462	4.8
111.08101	13.4
114.35804	2.0
117.07070	4.2
119.01965	2.4
119.08596	10.3
121.06522	14.6
121.10159	32.1
123.08082	37.7
123.11729	13.6
125.09644	16.7
127.07589	5.4
131.08575	12.2
133.10139	24.8
135.08058	19.4
135.11717	5.6
137.09625	7.4
139.07608	3.4
139.11191	4.8
145.02838	2.1
145.10147	6.1
147.11682	6.4
149.05986	4.5
149.09654	12.7
149.13278	19.9
151.07492	2.9
151.11186	37.6
153.09119	37.3
154.09888	5.2
155.10652	3.6
155.35936	2.6
158.10910	4.8
163.11150	3.6
163.14854	9.7
165.12677	2.8
167.07050	2.5
167.14336	44.2
173.13277	14.5
177.05508	7.4
178.09984	4.3
181.08617	6.8
191.10716	2.8
191.14305	28.1
194.09361	3.4
201.90166	2.3
209.04518	2.4
209.08217	2.7
209.11748	10.1
209.15376	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01868	1.6
55.05307	1.2
55.05516	13.0
57.03427	1.5
57.07069	1.9
59.04989	1.8
65.03940	1.3
67.05503	6.1
69.03420	2.4
69.07085	5.6
70.92228	1.8
71.04997	7.1
74.70710	1.2
79.05473	4.3
81.07066	10.7
83.04985	28.3
83.08617	6.8
85.06520	2.7
86.20570	1.0
89.87864	0.9
91.05492	4.2
93.07053	11.5
95.04975	100.0
95.08611	7.3
97.06541	7.6
97.10146	2.6
99.04467	18.2
99.08105	2.6
105.07017	4.4
107.08609	12.9
109.06530	34.1
109.10164	7.2
111.08119	5.8
119.08564	2.8
119.64700	1.3
121.06483	1.4
121.10155	10.2
123.08068	3.5
123.11707	4.6
125.05967	1.4
125.09618	5.8
126.17535	1.1
131.08559	4.4
133.10130	11.1
135.08066	7.1
135.11694	1.6
139.07527	2.1
139.11186	1.3
145.10092	1.3
147.11615	1.7
149.06050	1.2
149.09613	3.2
149.13260	4.8
151.11194	8.9
153.09125	27.9
163.14784	4.2
167.14326	12.8
173.13266	6.7
191.14319	9.4
199.21167	1.2
209.15387	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.07291	1.7
53.03934	3.6
55.01864	9.8
55.05518	28.1
57.03419	3.1
57.07059	3.9
66.53944	1.9
67.05219	2.3
67.05508	22.8
69.03439	21.2
69.07076	20.9
70.85053	3.5
70.85425	3.6
71.04999	19.7
79.05496	41.7
81.03435	2.9
81.07055	23.6
83.01328	4.9
83.04987	57.5
83.08617	16.0
85.06539	9.3
88.82173	1.9
91.05489	26.6
93.07048	44.6
95.04976	61.5
95.08608	17.0
97.06523	12.1
97.10162	5.0
99.04457	9.8
99.08090	7.3
103.05454	2.3
105.06371	2.8
105.07030	26.4
106.04183	2.4
107.04959	27.1
107.08597	67.0
109.06531	18.4
109.10150	14.5
111.04427	5.0
111.08091	10.5
113.05972	2.9
113.35994	2.0
117.07013	9.8
119.08586	17.5
121.06522	26.4
121.10151	45.8
123.04411	5.9
123.08055	8.0
123.11676	9.1
125.05965	9.8
125.09637	21.2
129.06982	6.5
130.07761	2.6
131.08568	69.7
133.10141	13.3
135.04367	4.3
135.08066	15.7
135.11696	10.2
137.09605	3.8
139.07523	6.6
139.11162	3.6
144.42067	1.9
145.06546	2.1
145.10135	40.7
145.11256	2.7
147.08060	8.7
147.11673	4.8
149.05978	7.3
149.09628	100.0
149.13234	11.5
151.07425	2.2
151.11186	24.6
153.05460	6.7
153.09145	20.4
163.07500	5.9
163.11198	30.8
163.14842	6.8
165.09093	15.6
165.12717	3.9
167.07008	14.5
167.10710	20.4
167.14320	17.2
173.09650	9.8
173.13266	12.7
177.05499	2.7
191.10680	47.0
191.12398	3.5
191.12753	2.3
191.14311	26.3
209.04379	2.8
209.08150	3.8
209.11755	55.9
209.15350	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03921	4.9
53.49682	2.7
54.90913	2.4
55.01857	8.2
55.05513	35.6
55.20881	2.5
57.03428	9.5
57.07060	4.2
59.04988	3.2
65.03929	3.3
67.05511	23.0
69.03448	16.4
69.07064	24.8
69.53516	18.2
71.04979	11.1
79.05501	20.4
81.07061	40.8
83.01347	18.0
83.04988	47.6
83.08631	15.2
85.02879	4.3
85.06537	11.4
91.05489	23.2
93.07053	50.1
95.04977	73.1
95.08609	39.1
97.06544	20.6
97.10169	6.2
98.21472	4.9
99.04470	15.2
99.08092	18.1
105.07035	28.2
106.04178	8.6
107.04968	6.1
107.08605	74.4
107.86242	2.6
109.06533	39.6
109.10162	44.5
111.04425	6.9
111.08088	17.1
117.06982	3.6
119.08589	20.8
121.06506	22.9
121.10151	48.2
122.07254	2.9
123.08085	100.0
123.11721	9.7
125.05995	5.2
125.09647	21.8
126.87862	2.5
127.07584	20.7
131.08557	9.0
133.10165	21.6
135.08092	23.5
135.11708	10.3
137.09647	17.6
138.97348	3.1
139.07565	16.1
139.11148	7.7
145.10126	9.6
147.11678	10.0
149.05968	8.1
149.09642	32.0
149.13275	26.9
151.11197	30.3
153.09122	42.9
154.09908	28.1
155.10674	7.9
158.10968	2.9
161.13333	3.7
163.11229	3.6
163.14807	14.3
167.14291	5.4
173.09584	2.7
173.13277	18.2
177.05464	6.4
181.15973	5.6
191.14336	35.4
209.15382	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.07568	1.4
52.58929	1.3
53.55866	1.4
55.01872	2.0
55.05518	17.3
57.07086	2.8
59.05023	1.7
65.03952	2.6
67.05515	9.4
69.03430	6.7
69.07076	6.4
70.34285	4.1
70.34676	2.9
71.04990	10.9
79.05515	8.1
81.07063	16.6
83.04984	34.1
83.08613	7.2
85.06541	4.8
91.05495	6.1
93.07041	15.6
95.04977	100.0
95.08620	11.1
97.06541	10.9
97.10133	2.0
99.04470	22.6
105.07012	10.2
107.04964	3.0
107.08603	21.2
108.82088	1.8
109.06529	49.9
109.10155	19.9
111.04472	1.7
111.08109	5.8
116.06306	1.5
117.06998	1.6
119.08591	7.2
121.06533	4.0
121.10158	17.5
123.08065	27.5
123.11734	3.1
125.09637	4.5
127.07564	4.6
131.08578	5.9
133.10135	15.8
135.08075	10.9
135.11682	2.3
137.09622	3.8
139.07549	1.9
145.10094	3.4
147.11673	2.9
149.09616	4.6
149.13275	12.0
151.11215	12.2
153.09114	24.5
154.09918	4.0
155.10657	2.5
163.14812	4.5
167.07108	2.9
167.14323	6.9
173.13286	10.1
191.14349	15.2
209.15378	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05509	1.0
56.63434	0.5
59.87908	0.5
63.41652	0.5
64.36093	0.5
65.03931	0.9
67.05502	1.7
69.07068	2.0
69.61108	2.8
69.61521	0.8
71.04992	7.4
79.05488	1.4
81.07038	3.2
82.91630	0.6
83.04977	2.2
83.08627	1.0
85.06542	1.1
91.05484	1.3
93.07054	4.2
95.04974	100.0
95.08619	1.4
97.06548	1.9
98.20840	1.2
99.04459	18.5
99.08065	0.7
100.73747	0.5
105.07045	1.9
107.04906	0.6
107.08598	3.7
109.06529	3.7
109.10161	2.8
111.08098	1.6
119.08608	1.4
121.10149	2.3
121.27139	0.5
123.08082	1.1
123.11703	0.8
125.09625	0.9
126.89724	0.6
131.08597	1.9
133.10138	8.9
135.08070	1.8
139.11227	1.6
145.10168	0.9
149.09639	0.8
149.13306	2.2
151.11201	3.8
153.09122	24.1
158.10912	0.8
167.14412	1.3
171.04257	0.5
173.13243	4.1
191.14333	4.0
192.11443	0.5
209.15359	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	4.0
55.01865	8.0
55.05515	78.6
57.03428	2.9
57.07067	5.3
58.78836	1.7
59.04989	3.1
65.03936	4.1
66.37601	1.7
67.05505	20.9
69.03437	27.0
69.07077	16.5
70.52254	2.8
70.52628	5.1
71.04996	18.6
74.88756	1.6
79.05497	36.2
81.07066	25.9
83.04984	100.0
83.08619	42.2
85.06538	11.4
91.05483	23.2
93.03414	3.4
93.07050	36.8
95.04977	57.0
95.08612	14.2
97.06550	13.1
97.10181	10.8
99.04452	12.0
99.08115	3.5
103.05486	3.1
105.07046	21.0
106.04183	2.6
107.04949	17.2
107.08607	59.5
109.06532	31.1
109.10152	26.7
111.04456	3.2
111.08073	14.5
113.09650	2.6
116.06255	2.3
117.07038	8.6
119.08570	11.5
121.06516	25.1
121.10151	52.9
123.08070	6.5
123.11716	14.0
125.05992	8.3
125.09636	31.3
129.07016	4.7
131.08578	53.5
133.10126	17.2
135.04463	2.4
135.08063	14.2
135.11702	5.5
137.05952	3.3
139.07515	1.8
139.11244	2.7
145.06447	3.7
145.10135	29.1
147.07129	1.7
147.08073	14.9
147.11731	3.1
148.05170	2.3
149.05984	8.0
149.09634	61.0
149.13268	10.9
151.07561	11.5
151.11195	42.8
153.05470	6.1
153.09129	19.9
158.10950	1.7
161.36024	1.8
162.06802	2.0
163.07550	22.9
163.11194	21.6
163.14821	8.0
165.09167	9.6
165.12769	3.4
166.00850	1.8
166.06285	5.6
167.07040	2.2
167.10689	5.4
167.14322	69.8
168.07916	2.6
173.09630	4.4
173.13249	9.3
177.05505	4.3
177.09091	8.9
178.09901	71.6
179.07004	4.2
179.10712	10.7
181.08585	15.2
191.10687	30.2
191.14311	33.8
194.00339	4.6
194.09369	12.5
201.91505	1.9
203.93340	1.7
209.02682	4.2
209.08171	5.3
209.11745	86.8
209.15346	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	2.2
55.01875	3.6
55.05515	78.4
57.03432	3.5
57.07043	2.2
59.04990	5.0
61.99743	1.5
64.73293	1.7
65.03934	1.8
67.05500	11.6
69.03435	12.2
69.07082	10.1
70.83420	3.1
71.04996	11.4
79.05509	9.1
81.07059	17.0
83.04987	100.0
83.08624	35.7
84.63387	1.7
85.06545	5.7
91.05472	5.2
93.07043	19.5
95.04980	73.1
95.08594	8.7
97.06522	8.9
97.10181	12.1
99.04470	17.4
99.08100	4.3
105.07051	10.1
107.04985	2.4
107.07863	2.1
107.08601	31.4
109.06538	11.3
109.09461	2.4
109.10160	29.0
111.04464	1.7
111.08104	10.8
119.08608	3.4
121.06502	4.0
121.10143	38.1
123.08105	2.4
123.11729	15.8
125.09620	19.3
131.08559	7.4
133.10144	15.6
135.08020	2.9
135.11682	2.2
137.09625	3.0
139.11147	2.1
145.10092	3.0
149.05963	2.4
149.09634	11.8
149.13272	10.8
151.11195	39.8
153.09120	18.2
163.14799	7.8
167.14325	89.3
173.13228	6.6
188.79594	1.9
191.14278	9.2
209.15367	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03937	3.7
55.01860	4.5
55.05265	3.8
55.05515	70.2
57.07071	2.5
57.16028	2.0
59.04996	5.0
65.03928	1.9
67.05497	9.1
69.03419	8.5
69.07059	5.6
69.86913	1.9
71.04977	3.9
71.23353	2.2
71.23669	2.4
79.05482	4.8
81.07076	9.7
83.04986	100.0
83.08617	35.0
84.30495	2.3
91.05476	8.6
93.07050	17.7
95.04984	19.7
95.08606	8.4
97.06506	8.3
97.10163	6.7
99.04481	3.5
104.33829	1.8
105.07019	4.9
106.04152	7.7
107.05005	1.9
107.08611	24.7
107.67778	2.0
109.06541	15.9
109.10159	27.4
111.08086	10.7
121.06482	4.8
121.10152	35.2
123.11734	10.3
125.05947	2.2
125.09640	15.8
131.08556	2.8
133.10104	8.0
134.03651	2.5
135.08069	4.1
135.11583	2.3
142.94769	2.2
149.05966	9.1
149.09602	2.2
149.13260	8.7
151.11192	35.7
153.09097	11.2
163.14825	4.8
167.14328	74.7
173.13274	4.3
177.05428	4.3
191.14334	7.8
209.08185	4.1
209.15404	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01872	4.8
55.05261	4.5
55.05514	80.4
57.03430	6.1
57.07068	3.2
59.05011	5.2
61.06240	2.0
65.03931	3.0
67.05520	13.9
67.69910	2.2
69.03423	9.2
69.07066	9.6
69.22431	3.1
69.22607	2.8
69.23025	18.0
71.04987	7.1
71.51834	2.1
79.05492	8.9
81.07067	24.3
83.04987	100.0
83.08621	43.4
85.06549	4.7
91.05479	8.7
93.07058	17.5
95.04964	35.0
95.08610	12.3
97.06541	15.0
97.10168	8.9
99.04455	6.5
103.05486	4.2
105.07042	11.4
106.04195	3.0
107.04893	2.8
107.08599	31.8
109.06523	71.4
109.10163	33.1
111.08086	12.3
113.09639	4.5
117.06955	2.5
119.08588	5.5
121.06478	6.8
121.10153	29.4
123.08060	8.1
123.11720	13.9
125.05978	2.5
125.09630	17.1
131.04893	3.4
131.08580	7.1
133.10147	24.3
135.08118	13.6
135.08960	3.0
145.10194	4.4
147.11777	2.5
149.06003	7.4
149.09625	6.3
149.13321	10.9
151.11183	42.6
153.09128	17.1
163.14821	6.3
167.07169	2.4
167.14314	82.0
173.13287	11.8
177.05516	7.3
191.14366	13.5
194.02213	3.4
209.04443	13.8
209.08159	4.8
209.15367	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.65012	1.1
53.03938	2.4
55.01874	3.7
55.05513	72.6
57.03429	2.2
57.07061	3.1
59.04997	3.5
65.03949	1.3
67.05497	8.6
69.03432	7.9
69.07071	7.1
69.64732	7.4
71.04997	4.3
78.04725	1.5
79.05493	6.9
81.07059	11.7
83.04985	100.0
83.08621	31.9
85.06557	3.4
91.05480	7.8
93.07040	15.6
95.04975	17.0
95.08614	9.4
97.06531	10.2
97.10171	8.8
98.20775	1.8
99.04475	2.4
99.08085	1.7
103.05495	1.9
105.07050	6.6
106.04179	3.7
107.04939	1.2
107.08603	23.9
109.06522	15.6
109.10171	23.7
111.08096	11.1
113.09647	2.3
119.08640	1.1
121.06509	4.5
121.10146	31.5
123.08089	1.8
123.11718	9.1
125.05991	2.1
125.09626	16.2
131.05035	1.1
131.08560	3.2
133.10152	7.3
135.08063	1.9
135.11740	2.1
145.10179	1.7
149.05968	5.4
149.09622	2.3
149.13257	8.6
151.11188	36.0
153.09091	6.7
158.11012	1.4
163.14847	5.1
167.14323	71.8
173.13278	3.3
177.05486	4.7
181.08667	1.1
191.14339	5.8
209.04463	4.6
209.08096	2.8
209.15363	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	2.9
55.01867	6.0
55.05515	77.9
56.96571	2.9
56.97231	1.7
57.03418	3.9
57.07068	4.7
58.00894	1.8
58.92657	1.4
59.04986	6.1
65.03960	3.0
67.05505	13.6
69.03443	8.5
69.07072	12.2
69.21081	16.9
71.04984	4.9
73.06547	1.8
73.29069	1.3
79.05476	6.8
81.03407	2.0
81.07058	18.6
83.04984	100.0
83.08622	41.5
85.02890	2.3
85.06535	2.8
91.05473	11.2
91.82409	1.6
93.07047	24.1
95.04976	35.0
95.08614	13.2
97.06528	10.4
97.10175	8.0
98.21605	2.8
98.97547	2.6
99.04446	5.1
99.08093	2.3
103.05460	4.7
105.07037	10.7
106.04147	4.6
107.08601	32.7
109.06527	40.4
109.10166	26.6
111.08078	12.1
112.63931	1.6
119.08585	3.8
121.06493	6.6
121.10153	45.8
123.08073	4.6
123.11708	12.9
125.09626	17.4
130.52060	1.8
131.08560	3.9
133.10150	11.8
135.08060	9.5
135.11691	3.3
143.08606	1.6
149.05965	7.1
149.09634	3.5
149.13268	9.2
151.11192	37.8
153.09126	13.5
163.14784	7.4
167.14325	75.1
173.13258	6.7
177.05463	6.1
181.08556	1.9
191.14279	13.7
209.04430	2.4
209.09430	1.7
209.11565	1.8
209.15384	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	209.1174
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
53.03957	1.2
55.01871	8.7
55.05515	12.8
56.96570	31.5
57.03423	2.0
57.07059	2.9
59.05001	1.7
63.74697	1.0
65.03942	2.8
67.05511	7.3
69.03421	3.7
69.07075	12.6
69.71318	1.0
70.96783	0.9
70.97105	1.9
70.98101	1.5
71.04982	4.1
71.05353	1.1
71.08680	0.9
77.03916	1.6
78.04720	1.0
79.05492	10.2
81.03426	3.1
81.07061	11.7
82.06626	1.2
83.04987	14.1
83.08637	6.0
84.76667	1.0
85.02914	1.5
85.06547	2.9
89.03913	1.8
91.05486	20.5
93.03429	2.2
93.07052	11.9
95.04965	11.8
95.08614	8.7
97.06533	5.2
97.10172	2.6
97.99181	6.4
99.04453	2.7
103.05487	7.4
105.03379	1.6
105.04592	1.1
105.07040	11.1
106.04182	2.6
107.04960	18.4
107.08594	13.0
108.05746	2.6
109.06538	11.0
109.10159	7.8
110.03664	1.7
111.04449	2.5
111.08081	4.2
115.05448	4.5
116.00267	2.3
117.03365	2.4
117.07030	6.9
118.04175	1.4
119.04948	11.9
119.08611	6.1
120.05740	1.3
121.02867	1.2
121.06519	22.9
121.10152	8.3
123.04419	3.5
123.08068	5.7
123.11721	2.4
125.05972	3.4
125.09650	6.0
129.07013	1.2
131.04939	5.7
131.08585	5.7
132.05705	1.5
133.02852	5.7
133.06514	5.7
133.10176	5.5
134.03662	2.4
134.07275	3.1
135.04404	3.9
135.08064	18.2
135.11685	3.7
136.05211	6.6
136.08830	1.3
137.06033	5.2
138.03131	1.5
138.06815	5.3
139.07532	3.5
145.02841	5.0
145.06482	4.0
145.10159	4.7
146.07236	4.1
147.04408	21.2
147.08183	11.2
148.05214	9.4
148.08820	1.2
149.06000	15.1
149.09639	12.2
149.13257	3.9
151.03899	3.4
151.07550	24.8
151.11205	8.7
152.08319	1.1
152.90593	1.0
153.05486	18.9
153.09143	5.0
154.06276	3.2
155.07162	1.3
156.04173	1.6
156.08043	6.0
156.58209	1.6
158.11067	1.2
158.58252	1.1
161.06006	6.0
162.06773	13.7
162.09023	1.3
163.07555	28.4
163.11220	3.2
163.14838	1.9
164.08308	1.5
165.02164	1.8
165.05635	11.0
165.08614	0.9
165.54915	1.2
166.06274	20.8
166.07693	2.3
167.14352	7.8
167.55072	1.3
167.58836	2.7
168.07829	32.1
169.08519	1.9
172.03716	1.1
173.04529	5.4
173.13234	3.1
174.09108	1.5
176.08368	1.3
176.55531	3.5
177.05524	11.2
177.09120	14.1
178.09908	56.9
179.07060	31.6
179.08528	2.2
179.10587	3.3
180.03435	1.1
181.03413	1.4
181.08609	76.6
182.08977	1.5
183.03314	2.4
186.05222	2.1
187.03296	5.3
187.54726	1.8
191.07048	3.1
191.10745	2.2
191.14294	6.9
192.10257	1.2
193.05150	1.1
194.09395	65.7
195.05780	14.8
195.55876	4.2
196.03868	11.3
196.05521	1.4
196.55045	1.2
197.56059	2.4
198.54164	1.7
201.16389	1.3
206.56609	6.7
207.06891	3.1
209.04315	4.9
209.08128	4.7
209.11729	100.0
209.15344	14.3
210.11215	1.9
225.08015	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03944	4.3
55.01877	6.6
55.05263	2.6
55.05514	43.2
57.03431	3.2
57.07054	1.9
59.04996	2.4
65.03941	2.8
67.05507	23.1
69.03435	8.3
69.07072	15.8
70.84968	1.4
70.85302	3.3
71.04997	19.8
78.75268	1.2
79.05057	2.7
79.05497	43.0
81.03426	1.8
81.07065	17.4
83.04985	66.4
83.08622	18.7
85.02917	1.2
85.06533	7.1
91.05484	29.9
93.06464	2.8
93.07052	43.2
95.04973	61.1
95.08612	7.2
97.06529	10.5
97.10171	3.9
99.04469	11.3
99.08067	2.3
103.05441	2.2
105.07035	26.5
107.04955	29.3
107.08599	54.8
109.02882	1.8
109.06511	15.3
109.10170	13.2
111.04424	5.1
111.08088	6.3
113.09631	1.4
117.07040	8.8
119.08578	15.8
121.06513	24.9
121.10155	42.6
123.04427	4.6
123.08060	4.7
123.11700	8.4
125.05986	10.2
125.09655	8.4
129.06999	8.2
130.07759	2.7
131.08578	76.4
133.06396	1.3
133.10136	8.6
135.04425	1.4
135.08040	4.8
135.11673	9.9
137.09598	2.8
139.07571	3.1
141.05426	1.5
143.08562	1.6
145.06537	2.4
145.10133	41.4
147.08075	8.8
147.11774	3.3
149.05965	5.8
149.09625	100.0
149.13287	6.2
150.09944	1.7
151.07527	1.9
151.11188	21.2
153.05412	6.8
153.09126	13.5
155.07053	1.6
163.07565	5.8
163.11205	36.0
163.14825	4.1
165.09131	15.8
165.12804	1.6
167.07054	4.3
167.10683	15.6
167.14328	37.3
173.09685	8.1
173.13286	5.5
177.05490	2.6
191.10681	53.9
191.14301	8.8
209.09744	3.2
209.11746	61.1
209.15331	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
51.02372	0.6
53.03945	1.6
55.01871	3.6
55.05514	11.5
57.03430	1.6
57.07057	1.3
59.04980	1.2
65.03934	2.2
67.05511	4.3
69.03425	2.6
69.07081	3.4
69.25697	6.7
71.05006	3.2
73.27393	0.7
75.04465	0.9
78.04707	1.4
79.05499	6.4
79.18927	0.7
81.03420	1.0
81.07060	7.9
82.06575	2.4
83.04984	10.1
83.08627	6.5
85.06538	1.5
89.03938	1.2
91.05487	18.4
93.03421	3.8
93.07048	9.8
94.53770	0.6
95.04973	25.9
95.08605	5.4
97.06538	5.1
97.10134	0.8
99.04465	5.5
99.08096	1.4
100.11263	4.0
103.05475	6.9
104.06262	0.7
105.07033	8.0
106.04167	5.5
107.04959	14.2
107.08610	11.6
108.05759	1.4
109.06528	12.4
109.10164	5.3
110.03632	1.7
111.04432	2.4
111.08094	2.7
115.05473	3.1
116.06225	0.7
117.03383	1.1
117.07021	4.5
118.04171	0.9
119.04955	13.3
119.08591	2.8
120.05758	1.0
121.02747	0.7
121.06515	22.6
121.10141	6.6
122.07275	0.7
123.04433	3.1
123.08078	4.6
123.11708	2.7
125.05984	4.0
125.09616	2.4
131.04938	4.0
131.08557	2.7
132.05746	1.0
133.02844	5.6
133.06491	4.8
133.10136	6.0
134.03636	1.6
134.07278	2.0
135.04399	2.5
135.07086	1.3
135.08057	16.5
135.09096	0.8
135.11697	3.0
136.05215	6.4
137.05984	5.4
137.09650	0.7
138.03145	0.7
138.06741	2.1
139.07535	2.9
144.84691	0.7
145.02858	2.1
145.06499	3.3
145.10127	2.5
146.07272	4.7
147.04420	18.7
147.08055	13.1
147.11690	1.3
148.05200	9.1
149.05995	15.2
149.09598	6.3
149.13271	5.0
151.03903	2.4
151.07564	24.0
151.11182	6.0
152.08322	2.1
153.05476	14.7
153.09109	7.5
154.06250	2.8
161.05968	4.4
162.06775	12.7
163.07552	23.6
163.11194	1.1
163.14806	1.8
164.08231	2.0
165.05496	13.7
165.09172	1.4
165.12756	2.4
166.06277	21.2
166.07629	0.9
166.09875	0.9
167.07115	0.8
167.14362	7.4
168.07840	27.9
169.08572	1.3
173.09698	1.1
173.13284	3.3
176.08379	0.9
177.05551	5.0
177.09119	13.4
178.09904	57.1
179.07050	28.7
179.10573	2.4
181.08604	73.7
182.09026	1.0
182.15433	2.2
191.07042	1.4
191.10706	1.5
191.14297	6.5
194.09393	62.9
195.09734	0.8
209.08162	2.8
209.11737	100.0
209.15338	10.7
210.12013	1.8
210.14923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03939	4.2
55.01870	9.7
55.05266	2.0
55.05516	37.6
56.56530	1.2
56.96565	1.4
57.03431	4.4
57.07066	4.6
59.05000	2.5
65.03925	3.7
65.71776	1.4
67.05505	15.0
69.03438	29.2
69.07079	22.5
71.05000	22.2
77.03915	2.6
78.04688	1.2
79.05058	2.9
79.05498	49.5
81.03419	2.4
81.07064	20.7
83.04989	41.8
83.08633	16.7
83.45171	1.2
84.31756	1.6
85.02905	1.9
85.06533	6.2
87.83337	1.3
89.03933	2.2
91.05488	33.0
92.14580	1.4
93.03397	2.7
93.07054	51.1
95.04977	75.9
95.08611	8.5
97.06536	15.9
97.10166	3.6
98.20693	2.6
99.04457	15.6
103.05471	6.5
105.06367	2.6
105.07040	31.7
106.04169	4.8
107.04958	19.1
107.08601	70.7
108.08881	1.4
109.06526	19.3
109.10154	14.9
111.04467	3.7
111.08110	6.5
115.05480	1.6
116.06238	2.6
117.07040	8.1
119.04968	3.8
119.08591	14.0
121.06525	41.3
121.10148	46.8
123.04544	1.9
123.08094	9.7
123.11703	7.8
125.06001	9.8
125.09638	25.9
127.07698	1.4
129.07018	3.7
130.07828	3.2
131.04910	2.4
131.08582	93.9
132.08917	2.1
133.06502	3.0
133.10136	14.1
135.04416	3.1
135.08047	16.4
135.11681	7.1
136.05197	2.7
137.05986	3.6
137.09627	1.9
138.06833	1.9
139.07541	3.8
141.05424	3.7
143.08578	1.6
145.06413	2.9
145.10135	34.1
147.04454	2.7
147.08049	20.0
147.11664	6.8
148.05191	2.3
148.08870	2.3
149.05997	12.9
149.09630	69.5
149.13271	8.8
151.07571	14.1
151.11185	17.7
153.05492	10.9
153.09120	18.1
163.07564	26.4
163.11197	27.5
163.14828	3.8
165.05492	3.0
165.09161	2.7
165.12782	4.0
166.06287	6.9
167.07034	4.5
167.10690	5.1
167.14340	27.0
168.07834	2.2
173.09625	3.3
173.13271	12.3
175.62503	1.4
177.05515	7.3
177.09135	13.3
178.09906	100.0
179.07071	8.1
179.10667	11.4
181.08588	22.5
191.07074	2.6
191.10692	27.6
191.14317	29.5
194.00366	3.8
194.09413	15.5
209.02695	3.3
209.08174	4.8
209.11757	92.7
209.15334	45.6
210.12135	2.0
214.03665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
53.03940	1.9
55.01869	2.1
55.05520	5.9
57.03429	2.2
58.72345	0.7
59.04997	1.2
60.49675	0.7
65.03943	2.6
67.05491	3.2
67.96208	0.8
69.03428	2.3
69.07068	1.5
69.29266	4.8
69.29673	2.3
71.04984	2.4
73.06557	0.7
73.54267	0.9
75.04450	0.8
76.91468	0.8
78.04745	0.9
79.05495	4.3
81.07051	5.2
83.04993	7.0
83.08603	3.1
91.05490	17.6
93.03394	2.3
93.07055	6.3
93.29888	0.8
95.04980	21.6
95.08601	3.2
97.06546	2.6
98.21438	1.7
99.04455	2.9
103.05451	5.2
105.03382	0.8
105.07047	6.7
106.04184	2.2
107.04964	13.8
107.08597	6.5
108.05749	1.5
109.06524	9.3
109.10173	4.3
110.03656	1.5
111.04422	1.4
111.08101	1.8
115.05460	2.3
116.06252	1.2
117.07025	4.9
119.04955	11.0
119.08567	3.9
121.06522	18.8
121.10130	4.3
123.04420	2.3
123.08086	6.2
123.11743	1.5
125.06007	2.8
125.09641	1.5
131.04924	5.6
131.08572	3.1
132.05623	1.2
133.02867	5.5
133.06490	5.0
133.10162	4.3
134.03683	0.9
134.07272	2.9
135.04443	2.3
135.08063	16.7
135.11717	1.0
136.05215	7.0
136.08844	1.7
137.05991	4.8
138.06773	2.4
139.07533	1.8
145.06499	2.5
145.10100	1.1
146.07285	5.6
147.04427	17.3
147.08058	13.2
147.92168	0.8
148.05203	7.5
148.08838	1.8
149.05995	10.7
149.09607	6.4
149.13274	2.5
151.03911	2.1
151.07556	24.1
151.11183	3.2
152.08354	1.7
153.05484	14.3
153.09103	6.6
154.06239	3.3
161.06004	4.5
162.06764	12.7
162.08984	0.7
163.07553	25.9
164.08250	2.4
165.05499	15.9
165.09163	1.6
165.12801	2.2
166.06271	18.6
166.09938	0.8
167.14346	4.1
168.07835	30.7
169.08615	1.1
173.13226	1.8
176.08516	0.9
177.09132	14.5
178.09904	57.1
179.07053	31.3
179.10583	2.8
181.08606	70.9
182.09016	1.2
191.14331	5.5
193.08606	1.0
194.09398	61.4
195.09807	1.0
209.11746	100.0
209.15332	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	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
50.01595	1.6
53.03954	8.1
55.01876	18.3
55.05516	9.6
57.03436	1.8
57.07064	2.8
59.04988	1.7
65.03949	14.7
67.05513	12.5
69.03431	8.1
69.07068	10.2
69.16882	1.5
71.04990	7.6
75.04480	6.9
77.03934	3.1
78.04716	11.8
79.05492	15.0
81.03414	3.4
81.07058	16.7
83.04984	15.5
83.08624	4.0
85.02909	10.3
85.06551	3.1
86.14265	1.4
89.03922	8.8
89.06008	2.8
91.04889	2.0
91.05482	52.6
93.03410	27.0
93.07047	27.2
95.04973	60.3
95.08614	10.3
97.06552	15.9
97.10170	3.1
99.04469	9.8
99.08078	2.4
102.04664	2.3
103.05470	24.0
105.03367	3.2
105.04533	3.0
105.07064	10.1
106.03457	3.8
106.04177	77.2
107.04972	9.1
107.08601	26.6
109.06519	20.2
109.10148	9.2
109.64630	1.5
111.08086	6.0
114.21558	1.6
117.03377	7.5
117.07035	1.8
119.04952	6.1
119.08587	5.6
120.05752	2.3
121.06514	76.4
121.10149	13.9
122.07287	1.9
123.04448	2.9
123.08079	7.4
123.11720	4.6
125.05997	21.6
125.09638	25.6
131.04976	10.3
131.05792	1.8
131.08598	7.9
133.02855	2.5
133.06508	3.1
133.10135	9.2
134.03616	14.6
135.04437	5.0
135.08041	9.3
135.11693	4.3
137.05977	11.8
137.09650	1.9
138.06747	3.7
139.07555	4.9
145.02852	6.2
145.10156	5.1
147.04437	4.1
147.11740	3.8
148.05171	11.2
149.05988	100.0
149.09581	7.8
149.13280	7.2
150.08112	1.5
151.03912	3.6
151.07533	3.3
151.11235	10.2
153.05502	8.6
153.09093	28.9
159.04468	2.3
163.03947	2.1
163.07552	7.2
163.11234	3.9
163.14847	4.5
165.12770	13.9
166.06268	4.0
167.07204	2.1
167.14304	9.0
173.13300	10.5
177.05484	47.6
179.19456	1.5
181.08580	16.5
191.07108	7.8
191.10751	2.7
191.14305	36.9
194.00528	1.8
194.05908	2.6
194.09386	1.9
207.00839	1.7
209.04538	1.8
209.08096	23.4
209.11775	4.4
209.15359	41.5
223.23701	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03945	1.0
53.72118	0.9
55.01856	1.7
55.05510	9.0
56.05833	1.0
57.03419	1.3
57.07063	2.8
59.05004	1.2
65.03871	0.9
67.05221	0.9
67.05513	10.9
69.03410	2.1
69.06723	1.5
69.07074	26.3
77.25345	0.8
79.05490	8.4
81.07065	27.9
83.04987	29.1
83.08607	3.6
84.05315	1.6
85.06537	1.8
91.05482	12.7
93.07054	17.5
95.04963	3.7
95.08613	29.1
97.06541	5.4
97.10122	1.4
102.09194	1.5
103.09515	1.6
105.06382	1.8
105.07036	24.3
107.08600	18.0
109.06509	9.0
109.10165	10.7
111.08082	1.5
111.11668	1.3
119.08583	14.5
121.10165	7.2
123.08079	100.0
123.11700	5.3
124.08405	1.4
125.09612	1.5
129.11078	2.7
131.08571	1.1
133.10136	30.8
134.53049	0.9
135.11728	5.5
137.09607	2.6
137.13269	8.7
144.07353	1.1
147.11697	16.9
149.09596	2.3
149.13266	7.5
151.11194	19.4
161.13266	8.2
163.14804	3.4
164.11951	2.2
165.12843	5.0
174.11320	1.0
175.03920	1.0
175.11609	6.0
189.16393	25.5
207.06569	6.5
207.14182	5.8
207.17447	72.2
208.17734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1746
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.47444	0.8
55.01858	2.0
55.05517	6.9
56.96573	1.0
57.07071	2.8
59.04984	1.0
67.05215	0.8
67.05512	8.1
69.03413	2.2
69.06720	1.2
69.07075	18.5
70.32199	2.1
71.05643	0.8
79.05131	0.7
79.05502	5.5
81.07063	20.9
83.04987	30.8
83.08610	2.6
84.05304	1.4
91.05492	11.4
93.07055	13.8
95.04971	2.4
95.08616	22.5
97.06525	7.8
97.10178	1.2
100.42852	0.8
103.09548	0.8
105.06378	1.3
105.07034	18.2
107.08604	14.0
109.06530	7.2
109.10174	8.2
111.08070	2.3
111.11696	1.7
115.10996	0.7
117.06945	0.7
118.11162	0.7
119.07800	1.2
119.08591	10.6
121.10154	4.7
123.08078	100.0
123.11677	5.5
124.08373	1.4
125.09649	0.9
128.55968	0.7
129.11049	2.6
131.08609	1.2
133.10135	23.5
135.11679	3.7
137.09616	3.5
137.13261	5.6
139.11208	1.1
147.11702	15.4
149.13258	7.4
151.11205	12.9
161.13237	3.7
163.14804	2.8
164.11952	1.4
165.12732	5.1
175.11601	5.7
189.14746	1.7
189.16394	21.4
207.06523	2.3
207.14214	3.5
207.17451	82.7
208.17796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03941	0.8
55.01876	1.6
55.05513	6.6
56.05876	0.9
57.03458	0.7
57.07066	1.9
60.73302	0.6
67.05504	7.4
69.03438	1.5
69.07072	14.0
71.04989	0.9
71.08634	0.9
76.87667	0.7
79.05491	3.8
81.07063	16.1
83.04987	28.5
83.08624	2.5
84.05312	1.8
85.06529	1.0
91.05489	7.7
93.07049	11.8
95.04970	2.1
95.08610	21.0
97.06538	4.4
97.10182	1.4
100.14919	0.6
102.09146	1.4
103.09541	1.1
105.06372	1.3
105.07034	15.3
107.08597	10.6
109.06537	4.8
109.10152	6.3
111.08080	1.5
111.11720	0.9
116.07932	0.7
119.08596	9.4
119.95258	0.7
121.06541	0.7
121.10153	5.2
123.08073	100.0
123.11717	3.7
124.08402	1.3
128.10725	0.6
129.11044	2.4
131.08530	1.3
133.10139	19.1
135.11748	3.4
137.05989	1.4
137.09619	2.0
137.13255	6.6
139.11128	0.7
147.04430	0.8
147.11703	11.8
149.09637	1.4
149.13287	5.0
151.11205	8.2
161.13243	5.1
163.14850	1.6
164.04709	1.8
164.11969	0.7
165.12746	3.0
173.04407	1.0
174.11395	0.8
175.11612	4.8
189.12782	1.2
189.16396	15.2
192.04189	2.0
207.06537	14.1
207.14084	5.5
207.17450	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01872	0.9
55.05514	6.7
56.38744	0.7
56.96558	1.1
65.03924	0.9
67.05502	9.3
69.07078	9.3
71.05007	1.3
71.21454	1.7
79.05497	15.8
81.07059	24.5
83.04976	2.8
83.08603	2.5
84.05340	2.0
90.27328	0.8
91.04958	1.3
91.05485	16.9
93.07044	15.4
95.04954	2.9
95.08607	13.2
97.06535	2.0
97.10173	1.7
101.06046	1.3
102.09189	1.1
103.09465	1.0
105.07034	47.4
107.04929	1.5
107.08589	9.9
109.06532	2.1
109.10164	2.5
111.04439	2.6
111.08071	1.4
117.07051	1.8
119.04973	1.7
119.08583	39.7
121.06465	1.2
121.10152	8.8
123.04410	1.5
123.08045	3.2
125.05975	6.5
128.10748	1.3
129.11072	2.9
131.08589	2.2
133.06523	5.9
133.10136	17.6
135.11694	1.8
137.05933	2.8
137.09612	1.6
139.07561	2.0
145.10101	2.5
147.08081	2.1
147.11723	4.7
151.07535	13.7
159.11668	1.4
161.09636	2.2
161.13261	100.0
162.13612	1.5
163.14755	1.3
164.04776	1.0
165.09094	1.8
171.11723	4.1
175.03934	1.0
175.11629	6.2
176.08327	0.9
179.14354	4.3
189.12755	26.8
192.04189	1.8
207.06560	8.6
207.13829	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	207.138
Annotation	(R)-(-)-Ibuprofen
Peak:m/z	Relative Intensity
53.03944	2.0
55.01872	0.9
55.05514	6.7
56.38744	0.7
56.96558	1.1
65.03924	0.9
67.05502	9.3
69.07078	9.3
71.05007	1.3
71.21454	1.7
79.05497	15.8
81.07059	24.5
83.04976	2.8
83.08603	2.5
84.05340	2.0
90.27328	0.8
91.04958	1.3
91.05485	16.9
93.07044	15.4
95.04954	2.9
95.08607	13.2
97.06535	2.0
97.10173	1.7
101.06046	1.3
102.09189	1.1
103.09465	1.0
105.07034	47.4
107.04929	1.5
107.08589	9.9
109.06532	2.1
109.10164	2.5
111.04439	2.6
111.08071	1.4
117.07051	1.8
119.04973	1.7
119.08583	39.7
121.06465	1.2
121.10152	8.8
123.04410	1.5
123.08045	3.2
125.05975	6.5
128.10748	1.3
129.11072	2.9
131.08589	2.2
133.06523	5.9
133.10136	17.6
135.11694	1.8
137.05933	2.8
137.09612	1.6
139.07561	2.0
145.10101	2.5
147.08081	2.1
147.11723	4.7
151.07535	13.7
159.11668	1.4
161.09636	2.2
161.13261	100.0
162.13612	1.5
163.14755	1.3
164.04776	1.0
165.09094	1.8
171.11723	4.1
175.03934	1.0
175.11629	6.2
176.08327	0.9
179.14354	4.3
189.12755	26.8
192.04189	1.8
207.06560	8.6
207.13829	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.96640	1.9
53.03936	3.1
55.05501	8.1
57.03424	1.8
57.07084	3.5
59.04992	2.1
65.03910	2.6
66.96009	2.1
67.05513	10.7
69.00537	2.1
69.03434	14.8
69.07054	3.7
70.99905	4.5
71.00258	2.9
71.04987	4.0
76.24790	2.1
79.05497	13.7
81.07056	18.1
83.04964	7.5
84.05314	2.1
85.02431	3.7
85.02911	56.8
85.06532	5.6
91.05486	32.5
93.07050	14.9
95.04955	5.9
95.08628	10.9
102.06352	2.5
102.09183	2.3
103.05497	3.1
105.07037	57.5
107.04939	7.9
107.08599	22.7
109.06544	18.6
109.10179	10.7
115.05444	1.9
117.07046	11.7
119.04217	1.9
119.04915	11.8
119.08579	57.0
121.06514	3.9
121.10159	27.8
123.08080	20.2
123.11707	28.7
125.06004	8.0
128.06181	6.9
129.06999	4.6
129.11063	2.7
130.07803	4.5
131.08557	19.5
133.06471	4.7
133.10132	7.8
135.08008	4.3
137.09601	4.3
141.06982	5.7
143.08537	8.4
145.06563	2.2
145.10130	18.3
146.10869	7.9
147.04407	6.9
147.08052	19.8
147.11694	70.3
149.09627	22.1
151.07571	11.2
156.09354	24.8
159.08051	7.0
160.08870	2.6
161.09634	4.5
161.13286	7.6
163.11206	18.9
164.04594	2.3
165.12764	5.0
171.11705	9.5
174.10414	13.5
175.03882	7.5
175.11584	8.0
179.07094	3.0
189.12753	65.3
207.06532	7.8
207.13809	100.0
227.34521	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03942	1.8
55.05503	5.1
57.07091	2.0
65.03921	2.4
67.05505	18.1
69.03432	4.9
69.07064	2.5
69.51089	6.0
69.51496	2.4
71.04963	1.4
76.26437	1.4
79.05493	6.3
80.03846	1.2
81.07070	15.9
82.85835	1.3
83.04985	5.9
84.05309	3.9
85.02904	6.0
89.16929	1.2
91.05486	23.3
93.07039	5.6
95.04967	7.1
95.08633	6.9
97.02887	5.1
97.06509	2.3
99.04472	3.7
102.06396	1.7
102.09187	2.3
103.05447	2.5
103.09556	2.0
105.07027	12.6
107.08604	11.1
109.06528	11.3
109.10162	100.0
111.08100	2.2
117.06975	1.5
118.04189	1.9
119.04961	16.8
119.08589	12.6
121.06480	3.8
121.10186	5.9
123.04459	2.7
123.08100	8.5
123.11723	2.6
125.06000	1.7
129.11079	5.3
131.08592	4.3
133.06479	3.0
133.10115	3.7
136.05197	3.2
137.05940	1.7
143.08537	1.5
144.07332	2.3
145.10143	4.4
146.03645	2.1
147.04410	12.9
147.08043	7.0
147.11708	7.7
149.02400	6.8
149.05969	1.3
149.09621	6.1
151.07550	37.5
156.09355	2.6
161.09682	1.8
161.13326	6.0
163.03908	3.7
163.11195	15.0
164.04665	7.0
165.09111	2.7
165.12808	2.6
171.11743	3.0
174.03145	3.5
175.03914	11.9
175.11604	13.6
179.07054	7.2
189.12729	15.6
191.03378	1.6
192.04189	4.2
207.06537	34.7
207.08392	2.4
207.10265	1.4
207.13893	22.6
207.17467	1.7
208.06761	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.95174	1.8
53.03934	5.1
53.76855	2.0
55.05497	6.6
57.07073	4.9
59.04991	2.4
64.49088	2.5
65.03951	3.3
67.05518	10.9
69.03424	9.7
69.07070	4.6
69.40223	13.1
69.40634	4.8
71.04987	3.3
79.05503	15.0
81.07061	22.3
83.04961	6.7
84.29423	2.0
85.02908	69.1
85.06542	5.4
91.05480	39.3
93.07067	12.5
95.04971	6.4
95.08615	11.1
97.06490	2.7
98.21542	4.6
101.03989	2.1
103.05475	5.7
103.46761	2.0
105.07040	50.4
107.04966	4.5
107.08610	22.4
109.06523	19.3
109.10187	14.2
111.08104	2.4
115.05430	2.4
117.06999	9.4
119.04932	15.7
119.07784	4.3
119.08586	63.6
121.06551	2.9
121.10146	30.3
123.04364	2.5
123.08093	17.6
123.11719	48.1
125.05994	6.4
128.06223	5.4
129.06979	6.7
129.11044	3.9
130.07784	6.9
131.08563	20.3
132.09415	2.7
133.06509	4.3
133.10146	9.6
135.07994	2.8
137.09610	6.1
141.06966	5.0
143.08521	10.0
145.06522	2.5
145.10146	23.1
146.10928	9.1
147.04434	12.5
147.08055	17.5
147.11688	65.5
149.02304	3.8
149.09641	28.8
151.07570	11.6
156.09367	22.6
159.08026	7.6
160.08765	2.8
161.09648	5.3
161.13260	7.9
163.11203	14.6
165.12747	5.2
171.11708	13.5
174.03125	2.9
174.10362	15.0
175.03981	12.4
175.11594	8.9
179.06949	2.6
189.12752	58.4
192.04138	4.0
207.06540	10.7
207.13823	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	207.0654
Annotation	Scoparone
Peak:m/z	Relative Intensity
51.02370	0.3
55.01872	0.4
55.05499	0.5
62.24899	0.3
63.46214	0.3
65.03932	1.2
65.30570	0.3
67.05495	0.9
69.07056	0.5
69.42944	2.2
71.04984	0.4
77.03922	0.3
78.36119	0.2
79.05466	0.7
79.85426	0.3
81.07062	0.6
83.04973	0.7
84.05290	0.5
88.36092	0.3
89.03914	0.3
90.04667	0.3
91.05483	11.4
93.07039	1.3
95.04964	0.8
95.08599	0.9
99.60033	0.3
99.69740	0.3
102.06339	0.5
102.09170	0.4
103.05462	0.7
105.03398	0.2
105.07030	1.5
107.04950	0.5
107.08591	1.0
107.85898	0.3
108.05740	0.5
109.06502	0.7
109.10148	0.5
115.07597	0.3
116.07883	0.3
118.04168	0.6
119.04090	0.5
119.04948	9.1
119.08569	1.5
121.02872	0.4
121.06481	0.5
121.10133	0.9
123.04447	0.5
123.08076	0.8
123.11741	0.5
125.06013	0.4
127.37178	0.3
128.10754	0.4
129.11040	1.1
132.02075	0.9
133.06511	1.9
133.10159	0.6
135.04410	0.6
136.05205	1.0
137.05928	0.4
137.09555	0.3
146.03638	0.8
147.04414	7.7
147.11707	1.1
149.02368	2.4
149.09706	0.4
149.13313	0.3
151.07513	2.5
157.03970	0.6
161.05959	0.7
161.13223	1.7
163.03941	0.7
164.04688	20.6
165.05058	0.4
174.03149	0.9
174.11295	0.3
175.03918	7.1
175.11624	2.2
179.07103	2.5
189.12823	0.7
192.04182	14.3
205.25171	0.3
207.06532	100.0
207.14055	3.1
207.17361	0.6
208.06906	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	207.0653
Annotation	Cladobotrin I
Peak:m/z	Relative Intensity
53.03934	0.4
54.05952	0.3
55.05516	0.4
56.05800	0.3
65.03905	0.4
67.05482	0.5
68.99784	0.8
69.03416	0.8
69.07078	0.4
70.88258	0.6
70.88634	0.5
71.04992	0.4
78.07537	0.3
79.05470	1.3
81.03378	0.3
81.07040	0.9
83.04992	0.8
84.05307	1.1
91.05491	5.8
93.07051	1.0
95.05006	1.4
95.08596	0.7
95.75838	0.3
97.06522	0.4
102.09177	0.4
103.05418	0.4
103.09475	0.6
105.07018	1.4
107.04948	0.8
107.08590	0.9
108.05784	0.3
109.06529	0.8
109.10127	0.3
112.23233	0.3
117.07024	0.4
118.04178	0.8
119.04948	4.3
119.08594	1.7
121.02869	0.4
121.06514	0.7
121.10143	0.9
122.03638	0.9
123.04429	1.3
123.08066	1.1
128.06192	0.3
128.10736	0.3
129.11072	1.3
131.08589	0.3
132.02068	0.4
133.02840	0.5
133.06572	0.3
133.10138	1.0
134.39394	0.3
135.04393	0.6
135.08092	0.5
135.11636	0.3
136.05199	1.0
137.09586	0.5
145.02864	0.4
145.10155	0.6
146.03621	2.2
147.04414	4.1
147.07979	0.5
147.11684	1.3
148.05183	1.2
149.02351	1.3
149.09599	0.9
150.03140	0.6
151.07552	2.0
157.03951	0.5
161.05975	0.5
161.09547	0.3
161.13268	0.5
162.03146	0.5
163.03918	17.3
163.11217	0.5
164.04704	1.9
165.12849	0.5
166.45921	0.3
174.03143	1.0
175.03911	4.9
175.11638	3.2
176.04683	0.7
177.01851	0.8
178.02644	2.1
179.07048	1.3
189.01761	0.4
189.12761	1.0
191.01634	0.6
191.03398	11.5
192.04189	14.4
193.04562	0.3
207.06540	100.0
207.13939	4.0
208.07002	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	Scoparone
Peak:m/z	Relative Intensity
53.83608	0.2
55.01856	0.4
79.05520	0.2
81.81169	0.1
83.04944	0.1
91.05480	0.3
100.71159	0.1
103.09499	0.1
105.80051	0.1
118.04160	0.2
123.08089	0.3
125.05968	0.4
131.59749	0.2
133.06514	2.1
135.04419	0.4
149.83450	0.2
151.07536	0.8
161.05984	0.6
164.04701	17.5
165.05086	0.3
172.66469	0.1
175.11641	0.3
179.07022	0.2
189.05455	0.3
192.04193	12.3
207.06543	100.0
208.06868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48481	0.4
55.05514	18.7
56.05042	1.8
57.03443	1.2
58.06609	2.1
59.05016	1.6
65.03949	0.8
67.05517	2.7
69.04648	0.4
70.06598	1.8
70.07078	1.1
70.07470	0.7
71.04993	2.5
72.03947	0.4
72.04531	2.3
72.08160	0.9
73.06553	0.9
83.04988	52.9
84.08150	5.6
85.06548	3.2
85.08932	11.5
85.09456	0.6
87.08109	4.2
93.03423	1.7
95.12534	0.4
96.08145	1.7
97.06529	4.7
98.09703	14.0
99.10462	1.0
100.07623	3.7
100.11263	1.4
101.06029	19.4
102.09189	35.5
110.09684	2.4
111.04462	6.0
114.09206	0.6
115.07582	12.9
125.06019	4.7
126.09166	1.8
128.10728	53.9
129.05469	3.5
138.09096	0.5
142.08670	0.4
143.07053	13.8
156.10199	5.5
160.13379	2.2
174.11275	100.0
204.50699	0.5
206.13896	55.9
223.41895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1388
Annotation	Pantothenol
Peak:m/z	Relative Intensity
53.03937	0.6
55.05516	24.3
56.05038	2.3
57.03423	1.4
58.06602	2.3
59.04994	2.1
61.02908	0.6
62.52772	0.7
65.03936	1.2
67.05510	4.4
70.06575	1.8
70.92410	1.4
70.92762	1.2
71.00669	0.6
71.05000	3.7
72.04535	3.0
72.08183	1.5
73.06547	0.8
74.35819	0.6
82.04197	0.8
83.04988	64.4
84.08140	6.0
85.02908	0.6
85.06544	4.0
85.08932	12.6
87.08119	5.0
93.03406	2.7
96.08147	0.9
97.06548	4.4
98.09701	19.1
99.10474	1.8
100.07642	3.9
100.11244	1.2
101.06026	23.6
102.09191	37.4
110.09692	3.1
111.04442	6.6
115.07581	12.3
120.94131	0.6
125.05987	5.4
126.09177	2.0
128.10728	58.2
129.05486	3.8
138.09210	1.1
143.07047	14.2
156.10210	6.9
160.13345	2.0
174.11273	100.0
206.13895	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15672	0.4
53.03951	0.5
55.05515	20.8
56.05038	1.6
57.03438	1.6
58.06604	2.0
59.05001	1.6
60.35670	0.4
65.03938	0.9
67.05513	4.0
70.06591	1.9
70.92657	1.1
71.04994	2.6
72.04521	3.2
72.08147	0.9
73.06557	0.8
82.06567	0.4
83.04984	58.2
84.08146	5.0
84.81462	0.4
85.06545	3.6
85.08930	10.5
87.08116	5.9
93.03415	2.1
96.08157	1.7
97.06538	4.2
98.09696	16.2
99.10477	1.6
100.07613	3.3
100.11263	1.7
101.06024	21.3
102.09184	38.6
110.09687	3.1
111.04443	6.6
113.08363	0.4
114.09132	0.6
115.07574	13.6
123.19650	0.5
125.05987	4.9
126.09139	1.7
128.10722	54.5
129.05482	3.4
129.11084	0.6
138.09123	0.7
142.08621	0.8
143.07040	15.3
143.89720	0.5
156.10204	6.6
160.13353	2.5
174.11266	100.0
175.11638	0.6
206.13889	60.7
207.14255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.89392	1.5
53.03935	3.4
54.11634	1.4
55.01865	2.1
55.05518	21.2
55.97210	1.6
57.00227	1.4
57.07080	16.1
59.04989	1.3
63.26377	1.5
65.03935	5.2
67.05218	1.7
67.05509	19.1
68.05015	3.1
68.31870	1.7
69.03423	4.7
69.07069	27.7
70.75021	4.0
71.04993	2.0
79.05495	19.5
81.03407	4.5
81.04579	1.6
81.07061	55.4
83.04978	15.4
83.08625	13.4
84.04504	3.0
85.02921	3.2
85.04838	4.4
85.08926	3.7
91.05487	11.4
93.03394	1.9
93.07049	67.9
95.04991	2.5
95.08610	49.3
96.06911	1.6
97.02886	5.3
97.06495	1.8
97.10171	10.8
98.03227	2.0
98.09672	4.0
101.06007	4.0
102.09178	10.7
105.04487	1.7
105.07024	9.3
107.08605	66.6
109.02863	1.9
109.06531	1.9
109.09462	3.0
109.10171	45.9
111.04444	3.8
111.11745	1.9
114.05584	1.8
115.07559	2.9
119.06055	2.1
119.08585	4.1
121.02866	7.1
121.04016	2.0
121.06518	13.0
121.10145	57.7
123.11718	100.0
126.05475	2.3
127.03846	2.2
127.05857	6.4
128.10727	14.4
129.06950	1.8
131.08591	3.1
135.08075	3.8
135.11700	73.4
143.07047	2.5
144.09343	2.1
145.10146	6.4
146.06068	1.9
147.11696	3.9
149.02354	74.6
149.05997	1.9
149.09706	1.8
149.13266	76.3
151.03838	2.0
156.10175	2.0
159.11650	5.2
163.07460	1.8
163.11143	5.7
163.14851	10.7
164.09413	1.5
172.08827	2.3
174.11247	26.3
177.05507	3.3
177.12743	3.4
187.07582	1.9
187.11147	2.3
205.04994	11.1
205.08844	6.8
205.12355	20.6
205.14182	7.4
205.15860	9.4
205.19542	42.3
206.13901	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	206.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76024	0.4
51.02372	0.4
52.79483	0.4
53.03942	0.5
55.01891	0.4
55.05513	5.6
56.05045	0.6
58.06614	0.7
59.21296	0.4
65.03942	0.6
67.05508	1.2
69.72578	2.5
70.02959	1.2
70.06547	0.6
71.05012	0.8
72.04527	0.7
79.05495	0.6
83.04988	15.3
84.08154	1.2
85.06577	0.8
85.08927	2.9
87.00803	2.2
87.08107	1.5
91.05500	4.6
93.03408	0.5
93.07051	2.8
97.06545	1.3
98.09707	4.9
98.97591	1.5
99.10493	0.9
100.07642	1.1
101.00896	0.8
101.06027	7.0
102.09189	10.6
103.05476	14.4
104.29790	0.4
105.07029	1.0
107.08603	0.7
110.09726	0.9
111.04443	2.1
114.09149	0.5
115.07570	4.2
118.06561	17.8
119.04955	0.9
120.08118	100.0
121.08463	0.8
122.93867	0.4
125.06007	1.5
126.09149	0.5
128.04990	2.3
128.09784	0.9
128.10735	17.4
129.05444	1.0
143.07053	4.2
146.06020	28.3
147.04471	0.6
147.11670	0.6
148.07524	0.5
156.10220	1.8
160.07603	0.5
160.13382	1.0
161.03055	0.5
174.05544	1.3
174.11278	30.7
175.03976	0.8
178.08534	0.4
188.07085	9.9
206.08148	6.8
206.13905	19.2
207.06685	0.6
207.13919	0.6
227.57428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03940	4.5
55.05269	1.6
55.05516	23.7
57.07072	5.4
65.03925	2.5
66.24831	1.7
67.05513	22.4
69.06728	2.3
69.07075	38.6
69.27898	7.2
69.28326	8.3
71.08626	3.3
79.05504	23.2
81.07068	73.1
83.04992	11.6
83.08628	11.3
85.08957	2.5
91.05476	8.7
93.07053	75.2
95.08059	3.1
95.08617	53.3
97.10177	12.0
98.09685	3.2
101.05997	3.3
102.09164	6.3
105.07021	5.6
107.07874	3.0
107.08607	61.2
109.06543	2.0
109.10159	52.2
111.11702	7.0
115.07561	2.8
121.06615	1.5
121.10155	100.0
123.11720	24.8
125.05968	1.6
128.10744	10.8
135.11703	38.8
137.13228	3.5
142.06143	1.8
143.07022	3.3
147.11676	2.0
149.02327	7.1
149.13266	78.1
160.02995	1.8
163.11189	1.5
163.14906	8.0
174.11255	18.3
177.05589	1.8
183.16609	1.7
205.15965	2.8
205.19527	40.1
206.13916	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	205.1951
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03917	1.2
55.05515	16.9
55.94556	1.0
57.07074	3.9
59.03870	1.0
67.05511	36.0
69.07077	21.7
71.08366	2.4
79.05494	18.8
81.07063	58.1
83.08636	7.3
91.05489	6.4
93.07050	42.3
95.05008	1.6
95.08614	100.0
97.10175	5.8
105.07060	2.3
107.08597	34.9
107.09293	2.4
109.10163	65.8
111.11710	1.2
121.10156	49.3
123.11714	29.3
135.11713	34.2
149.13269	50.8
163.14836	4.6
205.19533	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	205.1952
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
52.51198	1.2
53.03939	1.3
55.05261	1.3
55.05512	15.9
55.35365	1.2
57.07078	3.7
60.06748	1.1
67.05505	21.8
69.07074	21.9
70.79974	2.6
70.94650	1.1
71.08611	2.4
79.05499	11.4
81.07059	30.1
83.08632	8.8
91.05495	4.7
93.07045	37.8
95.08611	100.0
97.10179	6.5
105.07022	3.6
106.78174	1.0
107.08598	38.3
107.45361	1.2
109.10160	48.2
111.11726	1.7
119.06033	1.2
121.10148	39.2
123.11705	45.1
135.11697	45.0
137.13269	3.3
149.13257	57.7
150.13617	2.1
163.14859	5.9
205.19530	45.8
205.21460	2.5
206.19980	1.6
207.62013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03938	1.5
55.05513	10.5
57.02029	0.7
57.07073	3.0
59.04497	0.9
67.05506	10.6
69.07070	17.0
71.30653	1.9
79.05495	12.8
81.07059	49.3
81.62065	0.8
83.04965	1.0
83.08644	5.1
83.09046	0.8
91.05476	7.2
93.07050	52.8
95.04931	1.0
95.08611	29.6
97.10184	4.0
101.26701	1.0
105.07027	4.0
107.08601	33.9
109.10163	22.5
111.11714	2.3
119.08604	0.9
121.10151	100.0
123.11715	8.9
128.10664	1.0
134.86861	0.9
135.11702	19.9
146.59309	0.8
149.13269	37.9
150.13646	1.1
163.14827	4.7
177.05579	0.8
205.19528	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03933	1.5
55.05304	0.9
55.05520	13.2
57.07065	3.6
65.03930	1.0
65.29629	1.0
67.05219	0.9
67.05511	10.8
69.06722	1.1
69.07076	18.0
69.21140	8.2
71.08651	1.3
79.05064	1.1
79.05506	12.6
81.07068	54.5
83.04995	7.6
83.08619	5.8
85.08940	1.2
90.68494	0.9
91.05502	7.1
93.07056	51.0
93.40793	0.9
95.04943	1.4
95.08620	31.0
97.06543	1.0
97.10165	5.3
98.09708	1.9
101.06015	2.8
102.09194	7.0
105.07036	6.0
107.08608	33.0
109.10171	22.1
110.10496	0.9
111.11727	1.8
115.07581	1.4
121.02892	1.3
121.06557	1.4
121.10157	100.0
122.10518	2.1
123.11724	10.8
124.21633	0.8
125.06023	1.7
128.10735	7.5
135.11710	20.1
137.13254	1.2
143.07071	1.8
149.02408	6.0
149.13278	41.7
156.10199	0.9
163.14830	3.9
174.11253	16.3
177.05396	1.7
188.13789	0.8
205.04951	2.8
205.19540	20.1
206.13896	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	205.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	3.7
56.05023	0.7
58.06602	5.5
70.58016	0.9
71.66275	0.4
72.08160	3.5
74.02445	2.8
82.06586	100.0
83.04982	0.7
84.08147	5.5
87.08117	3.2
98.20867	0.4
100.07629	0.4
101.10789	21.1
102.05557	1.2
103.03922	1.0
110.09632	0.5
114.09178	35.5
116.10638	0.5
120.06587	0.4
127.12334	5.6
128.06195	0.7
128.07091	9.2
144.13838	0.5
156.10199	1.1
160.09708	39.7
163.22896	0.4
173.12872	16.0
188.12825	7.5
205.06964	2.4
205.12225	1.9
205.15497	15.7
205.17001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.30807	1.0
53.03943	3.6
55.01854	1.5
55.05517	10.3
56.05030	1.3
56.96561	2.2
57.03450	1.2
57.07076	2.8
59.04995	1.0
65.03938	4.2
67.05166	1.4
67.05508	21.3
69.03410	1.2
69.07072	7.1
70.00700	3.3
71.05001	2.1
73.02925	1.2
79.05054	2.0
79.05496	36.5
81.03388	1.3
81.07059	19.0
82.06567	1.7
83.04980	14.4
83.08640	2.4
84.08126	1.1
85.02874	1.7
85.08936	1.7
89.73717	1.1
91.05489	29.8
93.03407	2.5
93.07045	13.4
95.04964	4.0
95.08609	15.9
97.02873	1.8
97.06509	8.0
98.09698	3.1
101.06029	4.2
102.09186	6.3
103.05463	4.0
104.06304	1.2
105.07037	31.7
107.04942	3.5
107.08602	17.4
109.06509	2.8
109.10151	2.8
111.04441	7.8
115.05473	9.9
115.07555	3.0
116.06252	1.1
117.07023	90.7
119.07781	1.5
119.08587	20.5
119.09436	1.1
121.02922	1.6
121.06525	10.5
121.10176	5.0
123.04449	1.5
123.08062	1.7
123.11739	2.4
125.05973	4.5
128.06230	1.1
128.10701	10.6
129.05495	1.8
129.07008	9.5
130.07774	3.6
131.04962	1.6
131.08577	29.9
133.10159	5.9
134.03571	1.0
135.04456	7.4
135.08031	5.0
135.11699	4.5
142.07796	2.3
143.06969	2.3
143.08606	2.6
144.08287	1.9
144.09349	21.7
145.06520	9.4
145.10118	16.8
146.05939	1.1
147.08064	1.1
147.11685	2.4
149.02361	11.8
149.05975	7.5
149.09618	2.8
149.13260	3.9
157.10133	3.8
159.08153	2.3
159.11699	100.0
160.12199	1.7
161.09644	1.3
161.13266	1.4
163.07590	6.8
163.11191	3.1
166.09282	1.1
169.10077	1.7
173.05974	3.9
173.53186	1.0
174.11264	19.5
177.05473	14.0
177.09120	1.0
177.12776	4.7
187.11194	8.5
187.14857	1.8
190.09918	1.3
205.04993	9.7
205.08649	3.3
205.12244	32.0
205.14188	2.0
205.15874	7.0
205.19621	1.5
206.13913	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28878	0.4
56.96570	56.0
57.03428	0.5
59.06665	0.4
69.03417	0.7
70.03329	1.8
70.06592	0.6
70.98109	1.0
71.06883	0.7
71.95286	3.2
72.96055	1.1
74.93170	1.3
74.97615	3.6
78.84107	0.5
82.01467	0.5
84.08136	0.8
84.96044	2.2
85.02908	1.0
86.97621	2.6
97.02949	0.9
97.96796	1.1
98.21449	0.8
98.97592	100.0
99.16004	0.5
99.97951	0.9
100.99156	1.4
102.96841	0.6
103.00653	1.0
104.98677	0.6
110.97549	2.6
112.99181	1.1
114.97024	2.5
115.05891	0.8
116.98634	42.5
119.00211	1.1
119.01892	1.2
121.01679	1.6
125.99126	0.6
126.97066	0.7
128.98619	3.0
130.93230	1.0
131.00188	2.2
131.01851	0.5
132.98114	5.7
133.98851	0.6
134.99666	12.9
137.99323	0.5
138.97069	1.7
139.34821	0.5
139.98878	1.2
140.00049	0.5
143.00200	1.2
144.98123	3.2
145.01685	0.8
145.98955	0.5
146.99677	1.8
148.00380	0.7
148.99388	0.9
150.00247	0.5
150.99142	6.1
153.00734	0.9
154.99432	0.8
156.00189	0.6
156.98117	3.7
157.01790	0.6
158.99690	1.3
159.01588	0.6
159.08531	1.6
160.99463	1.2
161.01227	0.6
162.99179	8.2
163.02777	2.3
164.98613	0.7
165.00719	1.2
169.00305	0.9
169.99960	1.7
170.03395	0.9
172.94377	2.1
174.97728	1.1
174.99146	7.6
175.99905	0.9
177.00792	1.2
181.00314	6.7
182.99725	1.4
183.99689	0.9
186.99155	0.6
189.97105	0.5
189.99759	1.1
190.95465	0.9
190.97081	0.9
191.00293	0.5
192.98643	1.1
193.00214	7.4
193.01877	0.7
199.01305	3.4
199.97459	0.7
201.00742	1.6
202.00656	0.6
202.92839	0.5
205.00293	1.4
205.06854	1.4
205.09030	2.5
211.01346	0.8
214.00784	1.0
216.98726	1.2
218.95027	0.6
223.01262	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05515	9.3
57.07066	2.0
67.05170	1.4
67.05506	19.3
69.07073	11.9
70.72942	3.0
79.05486	9.9
81.07061	55.9
83.08611	3.9
91.05484	20.1
93.07053	20.2
95.08610	62.2
97.10129	1.7
101.04779	1.0
103.05447	1.6
105.07032	63.3
107.08599	35.1
109.10158	40.1
113.00159	1.1
117.07017	1.3
119.08586	53.7
121.10144	17.5
121.83553	1.0
123.11708	10.3
131.08580	3.7
133.10144	36.7
135.11681	4.2
145.10144	5.6
147.11693	68.2
149.02408	1.4
159.11685	2.4
160.12463	3.6
161.02304	2.4
161.13252	20.6
174.14163	1.2
175.14851	6.6
183.59940	1.1
203.07076	12.1
203.17960	100.0
204.18184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03939	1.4
55.05514	9.1
57.07088	5.2
58.47705	0.9
65.03941	1.3
67.05504	16.3
69.07072	12.1
70.92164	1.1
70.92503	2.5
79.05491	9.2
81.07059	32.6
83.08614	5.1
91.05476	17.1
93.07045	15.7
95.08611	41.7
97.10177	1.2
103.05453	1.3
105.07034	100.0
107.08595	18.6
109.09454	1.7
109.10161	27.1
117.06985	2.0
119.08584	46.8
120.08841	1.5
121.10153	15.4
123.11694	6.9
124.93201	1.1
131.08563	2.6
133.10139	40.3
135.11690	4.1
139.14238	1.2
145.10091	6.3
147.11694	78.3
148.12363	1.6
158.33081	1.2
159.11653	3.8
160.12476	3.1
161.13268	22.8
162.32851	1.1
174.14055	1.2
175.14819	11.1
183.26703	1.1
203.17961	75.5
204.18289	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.83215	1.0
53.28508	0.9
55.05517	7.8
57.07072	2.7
57.31168	0.9
67.05503	10.7
69.06728	1.5
69.07070	22.1
69.19144	10.5
71.08652	1.0
78.97563	0.9
79.05495	7.3
81.07061	36.6
83.08613	4.4
87.36863	0.9
91.05488	12.7
93.07050	16.7
95.08613	30.4
97.10263	1.0
105.07037	53.9
107.08584	17.9
109.09446	1.8
109.10158	23.7
115.95802	0.9
117.06989	1.3
119.08585	37.0
121.10144	13.4
123.11701	4.2
131.08556	6.9
132.09337	1.4
133.10136	48.4
135.11691	3.0
145.10118	13.3
147.11691	83.2
148.12114	1.0
159.11745	5.6
160.12476	10.9
161.02258	1.6
161.13255	22.4
173.13370	1.0
175.14816	4.1
203.07013	6.3
203.17957	100.0
204.18402	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	204.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
54.06555	1.3
55.01864	2.9
55.05505	2.7
56.05037	3.0
57.07050	1.7
59.00051	1.3
60.04535	6.1
61.02918	4.3
67.05505	1.8
68.05032	14.6
69.03437	3.6
69.07061	3.0
69.84485	6.7
79.05478	2.4
81.03407	2.4
81.07059	29.4
82.07384	1.3
84.04507	46.6
84.05016	2.3
85.02908	8.6
91.05499	7.8
92.06262	1.7
93.07043	7.3
95.08611	5.0
96.04501	25.3
97.02901	25.4
98.06039	5.6
99.04462	2.3
100.03973	1.8
105.07034	38.7
106.07841	2.0
107.08587	3.7
109.10154	2.1
110.06053	6.5
113.06001	2.9
114.05524	17.1
119.08588	36.8
120.09420	1.6
121.06480	1.5
121.10145	2.7
126.05518	57.5
126.09165	2.4
127.03937	3.2
131.08380	1.6
133.10155	15.1
134.10936	25.8
138.05478	3.8
138.66759	1.2
144.06573	9.7
145.04924	2.3
147.11638	6.6
148.12100	2.6
149.02385	8.1
156.06577	3.2
159.11726	2.2
161.13269	100.0
162.14063	9.8
168.06586	4.4
175.14818	1.4
176.07022	1.3
176.15598	3.4
186.07591	5.4
188.10699	3.1
189.11479	5.7
189.16370	15.6
204.06906	1.7
204.08684	28.5
204.13893	22.4
204.18626	10.2
205.12248	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	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.96890	1.1
55.05515	8.4
57.07060	1.9
61.41507	1.1
67.05181	1.3
67.05512	23.3
69.07081	12.6
69.92509	5.8
69.92894	1.3
70.54852	1.2
71.46455	1.2
79.05502	11.8
81.07060	59.2
83.08603	3.2
91.05485	18.6
93.07049	25.3
93.81531	1.4
95.08610	78.3
97.10180	1.5
99.68168	1.4
103.05466	1.4
105.07035	70.9
107.08600	37.4
109.10164	52.3
117.07040	3.0
119.08588	62.1
119.73101	1.3
121.10147	17.4
123.11718	10.1
131.08569	4.1
133.10138	42.0
134.10452	1.4
135.11662	3.8
145.10132	4.7
147.11694	69.6
148.12068	1.9
159.11702	4.1
160.12494	3.9
160.74384	1.1
161.02364	3.0
161.13275	25.0
175.14822	5.2
203.07059	11.3
203.17969	100.0
204.18292	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	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.54027	0.8
50.58972	0.7
55.05520	6.5
55.81767	0.8
57.07070	1.9
67.05510	12.0
69.07082	13.9
70.70962	2.0
70.71329	1.5
79.05490	6.2
81.06579	1.7
81.07063	36.2
83.08614	3.8
91.05486	9.8
93.07053	12.5
95.08614	40.5
98.21319	0.9
105.07039	42.2
107.07961	1.5
107.08614	19.6
109.10164	29.0
117.07038	2.0
119.08591	29.2
121.10155	13.5
123.11743	4.5
129.06917	1.0
131.08572	4.0
133.10139	33.6
135.11687	2.9
144.24973	0.9
145.10143	9.0
146.10890	1.0
147.11699	67.5
148.12024	0.9
148.34024	0.9
149.02411	1.5
159.11731	3.4
160.12483	6.4
161.02396	1.3
161.13260	17.9
173.13284	1.4
174.14114	0.9
175.14822	4.8
178.13972	0.8
203.07066	5.9
203.17970	100.0
204.13834	0.9
204.18318	1.1
217.01988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03943	1.1
55.05505	4.9
57.07061	1.2
59.52478	0.8
67.05499	9.2
69.06725	1.2
69.07072	15.8
71.37839	2.1
79.05505	5.3
81.07059	34.6
83.08602	2.7
87.98021	1.2
91.05479	13.6
91.75465	0.9
93.07041	12.3
95.08044	1.8
95.08607	23.8
105.07031	54.3
107.08601	17.7
109.10157	16.0
117.06995	2.7
119.08580	36.8
121.10136	13.7
123.11681	4.8
128.15388	1.0
131.08578	4.4
133.10136	36.6
135.11678	3.0
145.10132	8.8
147.11690	64.2
159.11652	2.9
160.12476	9.3
161.13263	21.5
175.14828	3.2
203.07104	1.4
203.17953	100.0
204.18231	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05506	7.0
67.05173	1.9
67.05508	25.1
67.70081	1.1
68.82480	1.3
69.07072	10.8
69.76057	8.8
79.05501	9.0
81.07059	49.4
83.08620	2.6
86.17217	1.4
91.05488	14.6
93.07047	24.2
93.69002	1.3
95.08614	68.4
97.10137	1.9
105.07036	63.6
107.08601	44.6
107.17943	1.2
109.10162	56.3
117.06968	2.0
119.08585	45.6
121.10162	17.1
123.11712	9.0
131.08534	3.0
133.10138	31.5
135.11732	2.4
145.10126	3.9
147.11694	67.6
159.11745	3.2
160.12479	2.8
161.13287	22.1
175.14868	9.4
203.07042	3.8
203.17963	100.0
204.18265	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05511	8.0
57.07076	3.0
67.05175	1.7
67.05508	16.6
69.07070	15.0
69.79691	4.0
69.80105	3.3
79.05507	10.7
81.07063	37.6
83.08605	3.5
86.38982	1.3
91.05479	18.2
93.07053	17.1
95.08612	56.6
102.45744	1.3
105.07037	62.7
107.08601	24.8
109.10163	39.9
112.68368	1.2
117.07015	2.9
119.08584	62.9
121.10136	15.0
123.11724	7.6
131.08551	5.4
133.10138	38.7
135.11678	4.5
145.10092	7.0
147.11696	79.4
157.88599	1.4
159.11665	3.2
160.12521	7.1
161.02322	1.9
161.13274	28.4
175.14832	6.9
194.44307	1.1
203.03429	1.8
203.07082	4.6
203.17964	100.0
204.18326	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.09015	1.0
50.94051	1.0
53.03942	1.2
55.05516	7.1
57.07074	1.6
57.12672	1.2
67.05216	1.4
67.05513	14.4
69.06727	1.1
69.07072	18.9
70.73685	3.2
78.43015	0.9
79.05485	7.4
81.07065	60.1
83.08620	5.5
83.45905	1.2
90.89974	1.0
91.05484	15.5
93.07050	16.1
95.08052	2.2
95.08617	35.9
105.07040	61.3
105.33685	1.0
107.08604	21.1
109.10161	25.5
117.06985	1.7
119.08596	41.8
121.10154	18.0
123.11738	7.5
131.08572	4.8
132.65968	1.2
133.10136	38.2
135.11702	4.5
145.10156	10.1
147.11697	100.0
148.12080	1.3
159.11708	4.9
160.12486	7.5
161.13271	23.7
169.28334	1.2
175.14848	5.6
184.20677	1.1
203.07062	2.7
203.17967	97.6
207.35126	1.3
224.92630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1798
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03953	1.9
53.56768	1.3
54.09626	1.1
55.05511	8.0
57.07059	1.7
65.03937	1.2
67.05173	1.7
67.05510	27.3
69.07074	15.4
70.68708	2.6
71.08649	1.2
79.05503	9.3
81.07061	30.2
83.08612	4.2
91.05487	17.6
93.07055	22.0
95.08615	100.0
97.84496	1.1
105.07040	57.3
107.08612	23.4
109.10164	38.6
117.07024	2.3
119.08598	33.1
121.08285	1.0
121.10159	26.5
123.11703	8.4
127.52732	1.0
131.08566	3.8
133.10147	44.2
134.10593	1.4
135.11716	3.0
145.10114	4.7
147.11694	51.2
159.11682	2.5
160.12502	4.3
161.13280	16.3
172.46169	1.0
173.61554	1.1
174.13989	1.6
175.14839	6.0
190.16245	1.0
203.06992	3.5
203.17972	94.4
204.18147	1.3
221.86073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.04612	1.0
53.52376	1.1
55.05508	8.9
57.07077	1.5
61.23393	1.1
67.05509	20.7
69.07074	12.6
71.02074	2.1
79.05485	9.3
81.07063	36.0
83.08626	3.0
90.21802	1.2
91.05483	15.1
93.07050	20.5
95.08611	74.2
97.10189	1.5
105.07035	53.5
107.08605	21.6
109.10162	46.6
111.88840	1.1
117.07028	2.3
119.08589	60.2
121.10146	25.7
123.11721	19.9
128.88336	1.3
131.08559	3.8
133.10130	33.7
135.11705	4.7
145.10103	6.2
147.11696	70.2
159.11699	3.3
160.12468	4.2
161.09676	1.4
161.13272	17.1
173.13199	1.7
175.14882	3.2
188.15604	1.7
203.07048	5.7
203.17963	100.0
204.18286	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	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
54.24413	0.7
55.05510	6.3
57.07074	1.0
58.48680	0.8
65.03954	1.0
67.05510	11.3
69.06722	1.2
69.07075	19.1
71.25215	1.7
77.03942	1.0
79.05498	7.2
81.07063	40.2
83.08626	3.9
84.04490	3.0
85.68131	0.7
91.05492	11.6
92.93702	0.7
93.07049	13.9
95.04960	1.2
95.08611	35.6
96.04424	0.9
97.02882	0.8
97.44341	1.0
103.05469	0.8
105.07035	50.2
107.08594	17.3
109.06496	1.0
109.10159	22.2
110.56259	1.0
113.05981	0.8
117.07014	2.6
119.08582	40.6
121.10143	15.6
123.08041	0.8
123.11710	5.6
126.05515	2.8
129.06987	1.5
129.89378	0.7
131.08565	5.6
133.02806	1.2
133.10129	38.1
135.11676	4.1
143.08588	1.3
145.02855	0.8
145.10130	14.3
147.08011	2.2
147.11693	74.2
149.02354	1.0
159.11705	4.2
160.12469	9.2
161.02356	4.5
161.05986	1.8
161.13261	26.9
162.08534	0.8
164.47144	0.8
173.13254	1.2
175.03897	1.0
175.07478	1.8
175.14813	3.6
176.84088	0.8
185.05945	1.2
203.07039	25.3
203.10738	2.6
203.17961	100.0
204.08728	1.3
204.13988	0.8
204.18307	1.4
213.04001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1393
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
53.03944	0.8
54.03474	1.1
55.01869	1.1
55.05513	11.1
56.05027	1.4
56.96569	18.0
57.03438	3.2
57.25125	0.7
59.64639	0.8
60.04530	2.2
61.01166	0.9
61.02938	1.3
67.05508	2.5
67.50268	0.8
68.05019	1.0
69.03445	5.7
69.07067	1.6
70.06573	2.5
70.42235	3.0
71.04996	2.2
71.95254	1.4
72.08174	1.9
73.02921	3.4
73.03295	0.9
73.08484	0.9
79.05479	1.9
81.03420	2.1
81.07056	3.6
83.04983	3.6
83.08183	0.8
83.08624	4.8
84.08145	2.8
84.96062	1.3
85.02904	6.6
85.06548	2.1
85.08930	3.3
86.09709	100.0
87.04472	1.1
87.08140	0.8
87.10027	0.9
91.05516	1.3
93.07026	1.5
95.08566	2.0
96.08198	1.0
97.02898	7.4
98.09696	1.7
98.97587	40.2
99.04445	1.0
100.03983	3.5
100.07629	2.5
101.00860	1.9
105.07027	3.6
107.08596	1.8
109.02898	1.8
109.06538	1.9
109.10148	1.1
110.01295	1.2
110.97549	1.2
112.99136	1.5
113.06020	4.3
114.05536	1.3
116.98634	17.4
119.01848	2.8
119.08607	2.4
122.01270	0.8
124.99200	1.0
125.03542	0.9
126.05530	1.0
126.09174	4.2
127.03880	1.1
127.07559	1.3
128.02292	4.9
128.10754	1.2
128.98643	2.3
129.02296	1.6
130.06493	3.3
130.08594	0.9
131.00134	0.9
132.10211	69.4
133.10226	0.9
134.99675	4.0
141.06593	3.1
143.00215	1.8
143.03540	1.4
145.03419	1.0
147.11694	2.9
152.04112	0.9
157.07617	3.3
157.09795	2.8
157.13358	9.8
158.99672	8.6
159.03290	1.9
160.03831	0.9
160.05623	1.0
160.77284	0.8
161.01312	1.2
161.02913	1.2
161.04869	1.4
161.13373	1.4
168.05458	1.2
169.06265	1.0
171.03194	1.4
171.12137	1.7
172.09691	2.2
172.13403	1.4
173.04782	2.3
175.06282	1.1
175.07643	1.3
177.00740	7.3
177.04341	2.2
179.05869	1.0
182.05185	6.7
183.03394	1.0
185.09245	1.4
191.05768	5.8
201.04405	1.7
203.05504	2.4
203.08336	1.8
203.10207	7.9
203.13934	5.2
203.17972	3.7
204.08662	1.8
204.12289	4.1
214.90292	0.8
219.01767	2.5
219.05466	1.7
221.06950	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1029
Annotation	23827-93-2
Peak:m/z	Relative Intensity
51.69307	0.6
52.07130	0.6
53.59514	0.7
54.03470	5.1
55.01868	1.9
55.05511	3.9
56.05046	11.1
56.96564	6.1
57.03427	1.8
57.04547	1.0
59.06105	1.1
60.04508	0.8
61.02912	1.0
68.05028	5.0
69.03426	1.6
70.06595	1.9
70.41727	0.7
70.98825	1.0
70.99160	1.3
72.04531	3.7
73.02914	1.2
74.06052	1.1
80.05009	3.2
81.03392	0.9
81.07059	1.2
83.08615	1.2
84.08135	0.8
85.02901	2.1
85.07671	1.2
85.08914	1.9
86.06068	2.4
95.06107	0.8
97.02891	1.8
97.07667	5.7
98.06058	1.7
98.44072	0.7
98.97597	8.7
99.05556	1.5
100.03983	48.3
100.07629	1.1
101.02334	0.8
103.08715	2.7
112.03949	3.9
112.99064	0.8
113.06009	2.1
113.07121	2.1
116.98610	2.6
118.05020	3.9
119.01851	2.3
123.09221	1.2
126.09132	1.1
127.03919	1.0
128.02345	0.7
139.08659	1.9
141.06599	41.1
141.10251	3.1
142.07013	0.6
153.15034	0.6
153.16473	0.6
157.09724	14.0
158.08165	1.1
158.11717	0.7
158.99677	3.1
167.08176	1.7
168.21664	0.6
170.99596	0.7
172.09708	0.9
177.00745	2.3
185.09221	22.9
190.01810	0.7
191.05772	2.3
203.10280	100.0
204.08641	0.9
204.10590	1.3
204.12354	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0703
Annotation	Frustulosin
Peak:m/z	Relative Intensity
53.03938	0.4
55.01872	0.9
55.05518	0.5
57.03429	0.5
67.05495	1.7
69.07076	1.0
70.69556	1.3
77.03905	0.8
79.05496	3.0
79.17632	0.5
81.07055	5.4
91.05486	6.8
93.07040	1.3
95.01319	2.0
95.08600	4.1
103.05465	0.6
105.03398	3.2
105.07037	4.5
107.04957	0.9
107.08584	2.2
109.06527	3.1
109.10139	2.5
115.05446	0.7
117.07005	1.3
119.04906	0.8
119.08594	6.8
121.02885	1.1
121.10143	1.6
123.00764	1.0
128.06255	2.2
129.07002	5.4
131.01254	0.8
131.08557	0.8
132.05687	1.2
133.02849	5.5
133.06482	1.0
133.10118	2.2
144.05681	1.0
147.04344	1.2
147.08067	7.8
147.11682	4.7
149.02345	9.1
151.03893	2.4
154.91069	0.5
157.06470	1.7
159.08014	0.6
160.05193	1.8
161.02353	21.9
161.05971	7.2
161.13257	1.4
163.03920	3.4
167.03404	3.4
175.03912	4.5
175.07550	4.1
185.05991	8.1
188.04662	1.0
203.07037	100.0
203.17947	5.9
204.07280	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	203.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69307	0.6
52.07130	0.6
53.59514	0.7
54.03470	5.1
55.01868	1.9
55.05511	3.9
56.05046	11.1
56.96564	6.1
57.03427	1.8
57.04547	1.0
59.06105	1.1
60.04508	0.8
61.02912	1.0
68.05028	5.0
69.03426	1.6
70.06595	1.9
70.41727	0.7
70.98825	1.0
70.99160	1.3
72.04531	3.7
73.02914	1.2
74.06052	1.1
80.05009	3.2
81.03392	0.9
81.07059	1.2
83.08615	1.2
84.08135	0.8
85.02901	2.1
85.07671	1.2
85.08914	1.9
86.06068	2.4
95.06107	0.8
97.02891	1.8
97.07667	5.7
98.06058	1.7
98.44072	0.7
98.97597	8.7
99.05556	1.5
100.03983	48.3
100.07629	1.1
101.02334	0.8
103.08715	2.7
112.03949	3.9
112.99064	0.8
113.06009	2.1
113.07121	2.1
116.98610	2.6
118.05020	3.9
119.01851	2.3
123.09221	1.2
126.09132	1.1
127.03919	1.0
128.02345	0.7
139.08659	1.9
141.06599	41.1
141.10251	3.1
142.07013	0.6
153.15034	0.6
153.16473	0.6
157.09724	14.0
158.08165	1.1
158.11717	0.7
158.99677	3.1
167.08176	1.7
168.21664	0.6
170.99596	0.7
172.09708	0.9
177.00745	2.3
185.09221	22.9
190.01810	0.7
191.05772	2.3
203.10280	100.0
204.08641	0.9
204.10590	1.3
204.12354	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0702
Annotation	Frustulosin
Peak:m/z	Relative Intensity
53.03951	0.6
55.01859	1.1
55.05510	2.5
57.07067	0.7
60.95073	0.5
65.03944	1.1
66.25285	0.5
67.05508	5.1
69.03414	0.6
69.07070	4.1
69.42351	1.3
69.42764	2.2
77.03931	0.8
79.05505	5.1
81.06580	0.9
81.07062	18.3
83.08628	1.1
84.04517	0.9
91.04961	0.8
91.05488	11.0
93.04512	0.4
93.07053	5.0
95.01331	1.7
95.04928	0.5
95.08612	17.4
96.04513	0.7
97.02863	0.8
98.21062	2.1
104.06247	0.5
105.03398	3.3
105.07041	17.7
107.04975	0.8
107.08604	9.3
109.06511	2.9
109.10160	11.0
115.05472	1.0
116.06306	0.7
117.07026	2.1
119.04917	1.1
119.08588	14.8
120.02063	0.7
121.02874	1.0
121.10148	4.1
121.70429	0.4
123.00803	1.0
123.11735	2.6
126.05533	1.3
128.06232	2.1
128.72533	0.5
129.07021	4.8
131.01271	0.9
131.04970	0.8
131.08557	2.0
132.05721	1.3
133.02861	3.3
133.06483	1.2
133.10144	10.6
135.11652	1.3
141.06952	0.5
144.05664	1.1
145.10193	2.5
147.04425	1.2
147.08046	7.5
147.11702	19.5
149.02350	7.4
151.03915	3.8
157.06479	1.8
159.11690	1.5
160.05234	2.3
160.12465	1.7
161.02357	20.3
161.05986	7.4
161.09578	0.8
161.13280	6.6
162.08604	0.7
163.03903	2.9
167.03426	4.8
175.03918	4.7
175.07565	6.7
175.14839	1.8
179.03485	0.5
185.04468	0.6
185.06013	7.6
185.09534	0.6
188.04663	1.0
203.07040	100.0
203.14365	1.3
203.17970	29.2
204.07349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05500	1.6
55.47479	0.5
67.05511	3.8
69.07062	1.1
69.82224	2.9
74.21265	0.5
76.44807	0.5
77.03945	0.9
79.05486	3.8
81.07063	10.6
83.08628	0.9
91.05486	8.4
93.07041	2.5
95.01325	1.6
95.08619	7.4
103.05443	0.9
105.03374	2.7
105.07037	10.5
107.04957	0.9
107.08600	4.8
109.06522	3.1
109.10165	5.3
115.05418	0.9
117.07047	1.6
119.04993	0.9
119.08586	10.9
119.12360	0.6
120.02036	0.7
121.02859	0.8
121.10165	2.6
123.00769	1.5
123.11708	1.7
128.06230	1.9
129.07008	4.9
131.08540	1.2
132.05698	1.2
133.02856	3.9
133.06479	0.7
133.10149	6.1
135.04431	0.6
141.07008	0.6
144.05704	1.4
145.10114	1.6
147.04405	1.2
147.08058	7.0
147.11703	10.4
149.02350	7.5
150.55109	0.5
151.03911	3.4
155.06049	0.7
157.06499	2.1
160.05251	2.5
160.12431	1.2
161.02353	20.3
161.05991	6.1
161.13272	2.5
163.03914	3.8
167.03400	4.4
169.07869	0.5
175.03958	4.7
175.07518	5.0
175.14787	0.8
185.05997	7.7
188.04750	1.0
203.07040	100.0
203.17973	15.0
204.07336	1.1
220.87465	0.5
221.39233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0701
Annotation	Frustulosin
Peak:m/z	Relative Intensity
53.03935	0.5
55.01861	0.8
65.03934	0.7
65.30887	0.3
67.05495	1.2
69.07059	0.6
69.67470	1.6
69.67891	0.8
72.22268	0.3
77.03920	0.9
79.05508	1.9
81.07063	5.7
91.04958	0.7
91.05483	6.8
93.07050	1.8
95.01355	1.8
95.04996	0.4
95.08605	3.2
103.05475	0.9
105.03396	3.0
105.07034	4.1
107.04945	1.1
107.08602	2.0
108.36533	0.3
109.06513	3.0
109.10165	2.2
110.93142	0.3
115.05477	1.0
117.07010	1.5
119.04951	0.9
119.08588	5.1
120.02118	0.6
121.02860	0.9
121.06484	0.4
121.10133	1.0
121.40212	0.4
123.00779	1.2
128.06235	2.2
129.07018	4.6
131.01280	0.5
131.08545	0.6
132.05721	1.1
133.02863	4.5
133.06485	0.8
133.10118	1.7
138.91388	0.4
141.06892	0.4
144.05696	1.2
147.04413	1.4
147.08055	8.8
147.11688	2.5
149.02348	8.9
149.03500	0.8
151.03915	2.2
157.06544	1.9
160.05215	3.2
161.02351	22.6
161.05981	5.9
161.13286	0.7
163.03922	3.3
167.03415	3.9
175.03925	3.6
175.07544	4.1
185.05980	7.8
188.04703	1.1
203.07037	100.0
203.14330	3.1
203.17973	4.5
204.07410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.04
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
56.96326	0.7
56.96572	10.2
57.03450	0.6
57.07060	0.6
58.96196	0.6
58.99862	1.0
59.11077	0.6
60.95842	1.2
69.91029	3.0
71.95238	0.6
80.03172	0.6
81.03443	0.6
81.07020	0.6
82.01453	1.7
82.99865	1.4
85.02898	0.8
86.16151	0.5
97.96816	0.5
98.97592	14.1
100.02499	7.4
100.05233	0.6
100.97224	0.7
101.00887	22.9
101.97207	1.7
102.00965	4.3
102.96340	0.6
102.96895	5.5
103.00651	1.1
104.24506	0.6
105.07077	0.6
115.02419	0.6
116.98637	11.1
118.03527	3.1
119.01929	100.0
119.98290	1.7
120.02016	18.2
120.96546	0.8
120.97925	4.8
121.01663	5.5
121.02401	0.8
130.93326	1.5
131.00200	1.0
131.01909	1.3
133.03487	0.7
133.29749	0.6
134.99663	7.2
137.02968	36.6
137.99318	1.0
138.03072	6.9
138.96407	0.6
138.98938	3.1
139.02686	1.8
142.03526	4.5
143.00165	1.0
143.01932	2.3
143.03610	6.9
144.03265	1.1
145.03560	0.9
147.03206	0.6
147.05034	0.8
156.78880	0.5
156.96376	0.6
156.97536	2.3
156.99979	0.6
157.03496	5.8
160.04581	1.3
161.01445	1.0
161.02982	18.1
161.04668	3.4
162.03098	4.6
162.97552	1.9
163.02690	0.8
170.99838	0.6
172.94380	1.0
174.98567	1.2
175.04558	2.3
179.00826	2.6
179.02440	1.1
179.04019	20.8
179.99129	2.0
180.03992	7.4
181.03833	1.1
184.04501	0.6
185.02979	1.2
190.95483	1.4
191.04039	0.9
197.99211	3.0
198.06285	0.7
203.02234	1.1
203.04018	2.6
203.07210	0.7
203.10794	1.0
221.01619	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	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	11.3
58.06593	2.7
66.34593	1.7
69.52917	13.2
82.99854	2.2
85.02936	1.9
95.55870	1.7
98.20737	2.7
98.42403	1.8
98.97594	29.3
99.97922	3.5
100.02483	1.9
100.97192	12.6
100.98003	6.8
101.00887	39.8
116.98615	15.7
117.98964	1.9
118.98212	7.5
118.99048	3.6
119.01927	100.0
124.02483	3.7
131.01895	1.8
134.99666	5.3
136.99237	2.5
137.02969	17.4
142.03511	36.4
160.02921	1.6
160.04572	11.4
161.01602	2.8
161.02937	23.7
162.97542	3.4
179.00443	2.1
179.04018	34.3
184.04585	3.0
190.95416	2.8
197.01263	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	202.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01854	5.2
55.05506	7.3
56.96568	54.3
57.03436	9.5
59.30936	1.7
59.50133	1.7
61.02926	12.9
65.03951	1.9
67.05515	11.2
69.03436	16.0
69.07096	2.1
70.06599	2.4
70.98125	28.1
71.04995	2.8
71.57404	2.7
72.08138	3.3
73.02915	10.8
76.41260	2.0
79.05495	40.2
81.03401	7.2
81.07057	13.8
83.05004	3.4
84.08145	3.0
84.96043	3.8
85.02898	16.9
87.04454	2.4
88.01759	2.0
88.99155	4.7
91.05470	8.4
93.07023	5.4
95.08601	4.0
97.02881	15.7
98.97587	41.8
100.03621	4.7
105.07012	2.9
107.08598	40.5
109.02846	3.0
109.04147	5.3
109.10162	5.0
110.97566	10.7
112.03612	2.5
112.99152	2.7
116.04916	4.6
116.98631	10.9
119.01804	3.2
121.04122	20.6
123.11660	2.3
124.99099	2.8
125.09642	6.7
127.03999	4.3
128.98587	10.6
130.04655	46.9
130.54863	5.2
131.00177	2.5
133.03816	2.4
134.99606	2.0
135.08075	8.8
139.05165	61.0
139.55348	2.3
140.98631	1.8
142.04601	4.8
143.00192	7.3
146.99657	4.2
148.04616	2.7
148.05634	4.8
149.05424	4.4
149.09633	2.6
150.56041	4.1
151.03996	2.2
151.05171	37.0
151.55367	2.6
153.09096	5.1
155.00084	2.5
155.05411	3.5
156.10234	2.3
157.01788	2.1
157.05177	11.1
158.06012	5.3
158.99648	10.2
160.05721	16.8
162.55919	3.5
163.05141	6.3
164.05946	8.8
166.05728	13.3
167.00124	3.5
170.05927	3.8
171.10197	2.1
172.05688	14.3
173.06468	3.6
174.05515	2.6
175.05173	3.1
177.00726	6.5
179.03720	2.3
180.05408	3.2
181.05426	2.4
182.99617	2.1
183.56512	3.0
184.05666	2.7
187.11885	8.2
193.06252	10.3
195.03343	3.9
197.04875	6.2
201.00731	4.7
202.06776	100.0
202.08708	5.2
202.10777	5.7
202.12457	3.7
202.18123	3.6
202.56943	14.0
209.04973	5.6
209.81822	1.8
211.07224	2.9
213.04381	5.6
215.05954	12.4
219.01752	4.4
222.58086	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	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03944	1.3
55.05507	3.5
57.07063	2.8
58.19101	0.8
59.47956	0.8
67.05514	9.4
69.07067	6.7
69.74351	5.0
71.08626	2.0
79.05488	8.2
81.07062	24.0
91.05488	13.1
93.07052	16.3
95.08613	17.6
95.59147	0.8
103.05490	1.5
104.60343	0.8
105.07037	28.7
107.08604	20.0
109.10155	5.1
115.05452	2.6
117.07034	15.3
119.08584	21.5
121.10149	8.6
128.06148	1.1
129.06966	5.0
130.07817	6.7
131.08575	35.5
133.10115	9.9
143.08612	5.9
144.09366	7.0
145.10130	85.4
146.10974	4.7
147.11635	1.7
157.10136	5.4
158.10927	2.7
159.11702	84.9
160.12263	1.4
171.11684	2.8
172.12524	1.1
173.05965	2.2
173.13274	19.4
186.14020	2.2
201.05481	2.2
201.16396	100.0
202.16737	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	201.1639
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
56.57956	0.3
57.07082	3.4
67.05491	0.6
69.54684	2.0
69.55090	0.6
71.08636	5.4
72.42695	0.4
79.05513	0.5
79.69694	0.3
81.07059	0.4
82.97655	0.4
91.05494	2.3
98.21474	0.7
98.63934	0.3
105.07034	10.8
107.08565	0.4
110.98562	0.4
115.37523	0.4
117.07033	5.5
119.08572	1.2
128.06213	1.1
129.06985	1.2
130.07806	4.6
131.08580	9.2
142.07826	0.4
143.08586	2.8
144.09340	1.4
145.10132	100.0
146.10490	1.1
157.10156	1.1
159.11699	15.4
173.13216	0.6
201.16391	7.9
201.20448	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
57.07081	3.7
61.08818	0.2
67.05493	0.5
69.60589	1.4
69.60983	0.4
71.08634	6.1
79.05473	0.3
91.05476	2.4
103.05478	0.4
105.07034	9.5
113.47810	0.3
114.67884	0.2
115.05489	0.5
117.07030	4.6
119.08578	1.0
128.06207	0.6
129.07004	1.4
130.07788	5.3
131.08572	10.9
133.10138	0.5
139.02242	0.2
143.08559	2.5
144.09326	1.2
145.10124	100.0
146.10452	1.7
157.10103	1.0
159.11696	17.9
160.12013	0.3
173.13193	0.5
201.16379	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	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.02390	0.7
53.03947	2.5
55.05509	3.4
56.96574	0.7
57.07079	3.8
65.03933	0.9
66.94905	0.8
67.05506	10.2
69.07069	14.0
71.08625	2.4
77.03925	0.8
79.05495	10.2
81.07059	13.2
83.08624	2.4
91.05067	0.4
91.05483	17.9
93.07050	33.4
95.04967	1.8
95.08611	14.2
103.05462	1.1
105.04514	0.8
105.07042	27.8
105.07757	1.5
107.08601	19.4
109.10169	5.0
115.05461	2.8
116.06247	1.0
117.07027	20.5
119.08592	19.7
119.97108	0.6
121.10160	9.6
124.93869	0.7
128.06223	2.1
129.07011	5.4
130.07799	9.6
131.08578	32.2
133.10135	9.8
142.07759	1.6
143.08589	8.6
144.09357	6.7
145.10129	100.0
146.10545	1.0
147.11653	1.5
157.10143	6.5
158.10893	3.9
159.11702	63.6
160.12184	1.2
171.11705	3.0
172.12520	2.0
173.13275	10.3
186.14081	2.0
201.05548	1.3
201.16393	76.3
202.16731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.092
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03944	2.4
55.01858	2.7
55.05500	1.7
56.05024	1.5
56.96568	15.5
57.03423	3.5
61.02924	2.1
65.03935	2.2
67.05515	9.8
68.05032	2.3
68.99789	1.0
69.03125	0.9
69.03439	11.4
69.07076	7.9
70.02943	1.2
70.06579	2.7
71.04994	2.0
71.39331	1.6
71.95252	1.3
72.08145	1.9
73.02925	1.7
79.05489	3.9
80.05008	3.8
81.03407	2.8
81.07065	7.0
82.02934	0.9
82.06577	4.3
83.04948	1.7
84.08139	4.0
84.96027	1.4
85.02909	5.2
91.05493	13.0
93.05780	3.8
93.07059	8.8
94.04176	1.1
94.06015	1.6
94.06578	29.1
95.04980	7.8
96.04485	2.8
96.08136	2.6
97.02886	5.2
97.06526	3.3
98.06054	1.0
98.97591	61.7
99.04475	1.0
102.09170	1.2
103.05498	1.2
107.04965	2.4
107.07353	1.2
108.04478	3.0
108.07416	1.7
108.08130	29.0
109.06538	6.7
110.06054	19.3
110.97565	2.6
111.04449	2.0
111.08091	1.4
112.03973	5.8
112.07635	6.6
113.05991	0.9
114.05493	1.1
116.98629	29.7
117.05773	2.1
118.06535	2.9
119.04950	1.6
120.08107	2.4
121.06516	5.9
122.03656	2.1
122.06040	76.5
123.04427	4.3
123.06798	1.8
124.07581	4.7
126.09150	3.4
127.03882	1.7
128.98631	2.5
134.05986	1.1
134.99661	9.2
135.04375	1.7
136.07588	79.3
137.05983	16.2
137.08185	1.5
138.05415	2.2
138.09146	3.1
139.07550	5.0
140.07072	100.0
143.00151	2.0
146.99622	1.3
152.07014	1.4
154.04999	2.5
154.08643	65.8
155.06999	2.9
158.99669	3.6
161.01152	1.3
161.97034	1.0
164.07072	16.8
165.05467	2.6
170.99797	1.1
177.00726	5.7
180.45277	0.9
182.08142	65.3
182.11752	3.8
183.08385	1.7
188.02281	1.1
188.54987	2.6
189.05275	1.3
197.55463	1.2
200.05371	2.2
200.09193	69.0
200.12830	18.4
200.16486	1.2
200.19034	1.1
206.03493	1.4
211.02798	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	200.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.67633	0.8
55.01871	2.6
56.96573	20.4
57.03444	8.9
58.06598	1.6
61.02939	4.2
69.03444	6.8
69.50249	3.0
69.50657	2.7
70.06598	3.3
70.98116	1.0
71.01340	1.5
71.04993	3.7
71.95271	2.0
72.08156	3.6
73.02928	12.7
74.00276	1.1
81.03433	4.6
83.00793	1.1
84.04546	1.1
84.08145	1.5
84.96046	3.0
85.02912	11.0
85.06559	0.9
86.03695	1.7
87.01015	0.9
87.04486	1.0
89.00792	1.4
90.01568	1.7
91.05517	0.9
92.01341	0.9
95.00783	1.6
95.04973	1.7
96.01595	1.5
97.02897	8.5
97.96796	1.8
98.09708	7.2
98.97592	100.0
99.04469	2.4
99.97918	1.4
101.00831	3.4
102.01561	2.0
103.02357	1.2
104.01295	2.4
109.02891	2.9
109.06527	1.1
110.01310	5.9
110.51530	1.1
110.97574	10.8
111.02083	0.9
111.08091	1.2
112.02840	1.2
112.07621	1.2
112.11240	2.0
112.99173	2.4
116.00346	0.9
116.01286	2.8
116.98637	37.8
117.02034	1.4
119.01829	11.0
121.01676	0.8
121.03394	1.8
122.01273	1.7
122.06027	1.7
122.09708	0.9
124.02816	1.0
124.99122	1.3
125.01775	4.2
127.03918	3.0
128.02307	2.1
128.98628	7.1
131.00197	1.5
131.01819	4.7
133.03419	0.9
134.02319	2.8
134.99677	13.4
136.02844	1.1
136.07581	1.2
137.01889	1.7
137.02832	1.0
137.06026	1.2
138.05032	1.3
140.00269	1.2
140.02319	4.2
140.07074	3.9
140.10690	5.0
140.98633	2.4
141.03079	0.8
143.00175	3.2
144.98058	1.0
145.01770	1.0
146.02318	5.7
146.99625	2.2
147.03102	1.0
149.02859	1.2
152.02290	4.9
153.03149	1.6
154.08659	1.7
155.02843	5.7
158.01254	2.1
158.99673	8.8
161.01349	1.3
161.02878	4.6
164.03409	1.6
170.03403	2.4
170.99664	4.4
173.01286	0.9
175.02809	1.0
175.04378	1.1
177.00755	6.3
182.03384	1.7
182.08159	2.7
182.11792	1.9
182.99678	2.0
183.08730	1.0
189.00668	4.0
191.02310	1.2
191.03915	3.6
195.01796	1.3
200.04567	1.4
200.09126	1.2
200.12814	18.2
200.16527	2.9
201.00726	4.1
219.01804	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	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	15.1
57.03433	1.2
69.03432	1.4
71.31445	1.8
71.95272	3.0
72.08141	1.0
73.02917	1.1
79.50902	0.9
80.79896	0.9
84.96043	1.3
97.02908	1.7
98.97593	100.0
110.97593	2.6
114.06655	1.1
116.98633	49.1
128.98640	1.9
134.99677	11.9
137.06000	4.3
140.00221	2.1
140.07118	1.3
153.90489	1.1
156.42291	0.9
158.01234	2.7
158.99687	2.1
177.00768	3.1
182.08089	1.9
184.42337	1.1
195.01756	1.3
200.05354	1.3
200.12877	3.8
200.16536	4.8
219.01801	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00684	0.8
53.03961	2.0
55.01862	2.8
56.96569	25.3
57.03443	11.4
57.27921	0.9
60.95850	1.2
61.02931	4.6
66.14590	1.0
69.03427	8.0
69.07081	1.3
70.06593	2.7
70.27358	2.3
70.27752	1.9
70.98134	2.3
71.01345	0.9
71.04991	3.6
71.95261	2.4
72.08141	3.4
73.02922	10.0
81.01035	1.0
81.03432	6.4
81.07049	1.1
83.00784	1.5
83.04990	1.3
84.04493	1.2
84.08148	1.6
84.96035	2.1
85.02907	11.4
85.06570	0.9
86.03711	1.2
86.09705	1.5
87.04472	2.5
89.00803	1.4
90.01530	1.0
93.07059	1.6
94.06577	1.1
95.04969	2.2
96.08147	1.0
97.02330	1.5
97.02879	6.5
97.96820	1.0
98.09682	4.5
98.97591	100.0
99.02074	1.1
99.04477	2.4
99.97935	0.9
100.11236	1.0
101.00854	4.9
102.01548	2.0
103.02349	1.7
104.01309	3.0
106.02872	1.8
107.01836	1.2
108.01555	1.5
108.08114	1.9
109.02895	3.8
109.06542	1.5
110.01310	6.0
110.06057	1.5
110.97582	11.0
112.02843	2.0
112.11204	1.1
112.99155	3.5
115.00668	1.4
116.01324	1.1
116.98628	41.3
117.02084	2.2
119.01865	10.5
121.03404	2.6
122.06020	3.7
124.99077	1.4
125.01810	3.8
127.03928	3.4
128.02338	4.7
128.98613	7.6
131.00204	4.7
131.01833	2.8
131.03670	1.0
133.03474	3.4
134.02310	4.2
134.99646	9.5
136.07578	4.5
137.01802	2.6
137.02812	1.6
137.06017	2.8
138.02576	1.1
140.00208	1.8
140.02313	2.6
140.07056	5.5
140.10713	5.7
140.98610	1.6
141.04968	1.0
143.00160	3.4
145.01698	1.2
146.02345	4.0
146.99663	3.3
147.03110	1.0
152.02339	2.1
154.08612	3.7
155.00185	1.5
155.02850	5.0
156.98007	1.1
158.01271	2.9
158.99661	9.6
159.02959	0.9
161.01283	1.4
161.02838	3.0
161.04634	1.5
163.02811	1.1
163.07304	1.2
170.03461	2.8
170.99669	3.4
173.01237	1.4
175.04477	1.1
177.00735	6.0
177.02153	1.4
182.08170	3.6
182.11765	2.2
182.99536	1.3
187.02832	1.3
189.00713	3.0
191.03931	3.3
195.01788	1.4
200.09203	4.4
200.12814	19.3
201.00766	2.7
212.25406	1.0
219.01826	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
51.03041	1.3
55.01852	2.4
55.05502	5.1
61.02913	1.4
65.03934	1.8
67.05503	8.3
68.99809	1.8
69.03412	4.4
69.07059	3.0
70.95857	5.1
71.01524	3.1
71.04991	2.4
72.06458	1.2
72.93771	1.8
73.02915	2.4
77.57259	1.1
79.05508	7.3
81.07065	13.9
83.04972	3.3
84.08117	1.1
85.06532	1.4
91.05484	19.0
93.07053	22.5
95.04978	7.0
95.08086	1.1
95.08613	8.9
95.44199	1.2
97.02907	1.2
97.06523	4.6
99.04447	2.0
99.69050	1.4
105.07037	32.6
107.08604	100.0
109.06535	7.5
109.10164	7.5
111.98459	3.6
113.06031	1.8
114.31511	1.2
117.06991	2.0
119.04890	3.0
119.08588	19.9
121.06494	4.0
121.10149	15.2
123.04443	2.1
123.08051	2.9
123.11683	3.8
125.05994	8.8
125.09615	2.5
127.03901	4.0
129.99527	1.7
131.08559	2.4
132.95842	8.7
133.10139	67.5
135.08035	2.1
135.11723	7.0
137.05948	10.8
137.09627	17.2
139.07506	4.7
141.06993	1.8
143.08516	3.4
149.09616	7.4
150.96902	9.5
151.03889	3.3
151.07518	4.5
151.11194	16.4
155.07037	2.1
155.97400	4.8
161.09621	17.2
167.10695	23.4
169.06415	1.7
173.98532	7.5
179.10678	47.5
196.76303	1.2
197.08012	1.8
197.09860	2.9
197.11720	46.8
198.18521	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	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96751	0.7
56.96568	8.4
61.35771	0.6
62.42306	0.7
70.26714	1.0
70.27055	2.1
71.95255	2.0
74.09715	0.8
77.78349	0.8
98.97589	100.0
114.81625	0.7
116.98627	51.3
118.13048	0.9
118.96737	0.8
134.99675	16.1
140.00243	2.1
153.00740	1.4
158.01263	2.2
176.99036	0.8
177.00740	2.4
180.95909	0.7
193.38565	0.7
195.01746	1.4
199.18834	2.3
200.12814	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03950	1.1
55.01870	2.4
55.05511	5.1
56.96571	1.1
57.03442	0.8
57.07074	1.8
59.05027	1.6
61.02936	2.0
65.03956	1.2
67.05508	6.6
69.03427	8.7
69.07067	2.6
70.95872	2.2
71.01350	1.4
71.04994	10.4
71.56182	0.7
71.56576	1.1
72.93790	1.5
73.02917	1.8
74.65840	0.6
79.05495	8.1
81.03444	0.9
81.07064	12.7
83.04987	8.7
83.08604	0.9
83.35389	0.8
85.06538	1.9
87.04468	1.3
91.04906	0.7
91.04996	0.4
91.05485	17.3
93.07049	21.1
95.04977	6.8
95.08614	7.6
97.02951	0.8
97.06532	3.4
98.97589	1.1
99.04470	1.5
103.05502	0.9
105.07037	31.1
107.04977	0.8
107.08599	100.0
108.08922	1.6
109.06518	9.9
109.10156	12.4
111.04443	1.1
111.08093	1.6
111.98478	2.3
113.06015	16.6
115.05430	1.3
117.07020	0.7
118.07765	0.7
119.04948	2.9
119.06083	1.2
119.07780	1.3
119.08593	17.2
121.06474	3.2
121.10149	17.1
122.07317	0.9
123.04388	1.1
123.08083	2.5
123.11720	5.4
125.06007	1.9
125.09621	1.4
128.06242	1.7
129.99478	0.7
131.08575	2.9
132.05705	0.9
132.95848	5.0
133.06494	2.0
133.10136	66.9
134.10417	1.3
135.08032	1.4
135.11690	5.7
137.05991	5.4
137.09616	16.5
139.06651	0.7
139.07530	4.0
139.11148	0.7
141.05478	3.1
141.07033	1.2
143.08568	1.9
146.07222	1.0
149.09650	7.4
150.96887	3.7
151.03905	2.0
151.07544	2.5
151.11183	19.9
155.08569	1.2
155.10684	0.9
155.97421	2.4
156.07713	1.6
161.09625	18.8
167.08569	1.5
167.10678	23.7
169.10106	1.7
173.98474	2.6
179.03442	3.1
179.10677	47.8
180.11024	0.9
181.06511	0.7
182.10915	1.1
197.09764	2.4
197.11731	57.7
197.13226	3.2
198.18550	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03954	1.5
55.01866	1.5
55.05509	2.9
57.03437	0.8
57.07084	1.2
59.01333	0.5
59.05008	3.5
65.03952	1.0
67.05506	6.2
68.99800	0.8
69.03432	2.6
69.07069	2.1
69.95606	0.8
69.96001	1.6
70.95876	1.0
71.04989	1.0
72.93795	1.0
73.02934	1.0
77.03923	0.8
79.05499	7.4
81.07063	8.9
83.04977	1.7
83.08652	0.8
85.06536	1.5
90.71138	0.7
91.05489	20.1
93.07053	24.4
95.04972	7.8
95.08630	5.2
97.06534	1.2
98.97620	0.8
99.04447	0.7
103.05416	0.7
105.03387	0.7
105.07037	33.8
106.04156	0.7
107.04965	1.2
107.08601	72.7
109.06525	5.9
109.10168	7.1
111.98466	1.2
113.06033	1.3
117.07047	1.2
118.07726	0.7
119.01923	0.7
119.04936	2.3
119.06118	1.1
119.08599	8.8
120.09373	0.6
121.06524	6.0
121.10171	2.9
123.04424	3.3
123.08075	1.1
123.11712	3.5
125.05981	1.2
125.09651	0.8
128.06212	0.8
128.44058	0.5
129.99545	0.7
131.08533	3.4
132.95818	2.7
133.06496	1.6
133.10141	75.3
134.10464	1.0
135.08049	1.9
135.11703	55.5
136.12048	1.2
137.06013	4.4
137.09630	5.7
141.05470	0.8
141.06996	1.5
141.73779	0.7
143.08571	1.7
146.07263	2.3
150.96938	1.9
151.03935	1.8
151.07501	0.9
151.11192	7.7
155.08592	1.6
155.97412	2.2
161.09633	34.6
162.09956	1.0
167.08572	3.3
167.10687	0.8
169.10161	2.0
173.98528	1.9
179.10686	100.0
180.11032	1.9
182.10922	2.4
197.04488	1.0
197.11743	70.3
197.13249	5.0
198.12039	1.2
198.18568	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
50.02121	1.2
52.98775	1.0
53.03939	1.9
53.82393	1.0
55.01877	9.1
55.05516	13.9
57.07079	1.4
63.54763	1.1
67.05500	4.5
69.03433	3.5
69.07072	2.0
71.37500	2.0
73.02917	1.3
79.05504	8.8
81.07065	26.5
83.04969	1.3
91.05486	11.1
92.51511	1.0
93.07050	12.3
95.04971	3.5
95.08622	3.7
97.06540	8.2
99.04472	8.0
105.07044	18.6
105.07748	1.5
107.04950	1.3
107.08605	59.4
109.06524	12.5
109.10170	7.5
111.04455	3.7
119.08599	8.5
121.06477	3.3
121.10176	6.8
123.08085	1.3
123.11674	1.6
125.06004	66.2
125.09629	1.6
127.03929	24.8
127.04799	2.1
128.06172	1.8
131.08582	2.5
133.10147	39.6
135.11690	6.4
137.05989	100.0
137.09601	8.8
139.07555	1.7
143.08551	3.7
146.07227	1.7
149.09624	4.5
151.07605	2.0
151.11198	10.0
161.09639	21.0
167.10704	12.4
172.97810	1.1
173.98634	1.3
179.10681	35.9
191.70659	1.0
197.09874	1.7
197.11731	34.1
198.18559	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	197.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01879	1.2
55.05517	7.5
56.96563	1.5
57.07060	2.0
59.05000	2.2
61.71665	1.0
65.03921	1.2
65.62823	0.9
67.05504	10.9
68.99786	1.9
69.03416	3.5
69.07059	4.3
69.67835	5.5
70.95859	3.4
71.04998	1.5
71.33929	1.0
72.93778	1.4
79.05495	10.6
81.03426	1.3
81.07056	12.8
83.04972	4.1
83.08617	1.5
85.02908	1.2
87.44858	0.9
91.05482	22.2
93.07050	25.4
95.04549	0.8
95.04981	10.3
95.08620	6.7
95.13369	0.9
97.02890	1.0
97.06517	1.8
98.97548	1.5
103.05458	1.7
105.07035	39.2
107.04893	1.0
107.08598	100.0
108.08958	1.2
109.06530	9.1
109.10152	11.5
111.04465	1.1
111.08076	1.0
111.98494	2.4
113.05975	1.7
116.98585	0.9
117.06993	1.1
117.50945	1.0
117.51746	1.1
119.04916	1.8
119.06099	1.4
119.08588	13.3
119.89517	0.9
121.06479	6.4
121.10136	7.8
123.04421	3.0
123.08073	3.0
123.11707	4.4
125.06009	9.8
125.09627	1.0
127.03940	2.4
128.06187	1.0
129.99532	1.7
131.08603	2.8
132.95854	6.6
133.10132	85.7
134.10440	1.9
135.08070	2.2
135.11700	44.4
137.05981	14.3
137.09590	8.0
139.07521	1.3
141.06998	1.9
143.08536	1.7
146.07339	2.1
149.09602	4.0
150.96864	6.2
151.03911	3.6
151.07547	3.4
151.11195	14.6
153.09085	1.9
155.97447	3.3
156.07684	2.0
161.09630	36.5
167.08601	1.5
167.10652	9.9
169.10115	1.7
173.98549	2.7
179.10674	95.0
180.10995	1.6
197.09903	2.6
197.11736	69.0
197.13205	3.8
198.18494	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03949	1.8
55.01866	5.9
55.05512	17.7
58.20616	1.1
59.05007	1.9
59.30145	1.3
64.00186	1.1
64.15134	1.1
64.41528	1.1
67.05498	6.3
68.55723	1.1
68.99824	1.6
69.03429	2.6
69.07079	2.9
70.73089	3.6
70.95855	1.4
71.04987	2.1
79.05490	8.6
80.29681	1.2
81.07060	31.0
83.04976	2.0
91.04956	1.7
91.05488	16.9
93.07055	18.9
95.04971	5.3
95.08614	4.9
96.10209	1.3
97.06540	10.1
99.04451	9.2
105.03413	3.0
105.07033	25.5
107.08602	52.0
109.06531	17.1
109.10151	9.9
111.04464	3.0
117.07031	1.5
118.07790	1.9
119.06067	2.3
119.08577	7.8
121.06540	7.2
121.10196	1.4
123.04436	2.9
123.08070	1.8
123.11682	3.7
125.05999	84.1
127.03922	26.3
128.06235	1.9
131.08521	2.7
132.95837	3.9
133.10138	55.5
135.08090	1.2
135.11699	32.1
137.05986	100.0
137.09613	11.5
143.08549	6.4
150.96916	2.3
151.03885	3.1
151.11220	5.9
155.97429	2.1
161.09619	30.3
161.10909	1.6
173.98506	2.0
179.10687	70.7
197.11746	45.8
198.18578	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	197.0811
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.42358	0.3
52.03156	0.4
53.03942	1.0
55.01870	3.0
55.05501	1.1
56.96558	1.3
57.03434	0.3
57.07077	0.3
59.04992	0.4
65.03944	2.0
67.05509	3.6
68.99803	0.3
69.03424	1.1
69.07056	0.8
70.95865	2.2
71.01351	0.4
71.04997	0.9
71.46983	0.6
72.93783	1.1
73.02922	21.0
77.03949	0.3
79.05489	1.4
80.02644	0.4
81.03400	0.3
81.07054	1.9
83.04985	0.8
85.02907	0.8
85.06528	0.5
88.96884	0.4
89.03922	0.4
90.94847	0.4
91.05482	5.5
93.03426	1.4
93.07047	2.1
95.01353	0.4
95.04971	2.1
95.08622	1.5
97.02920	0.3
97.06518	1.1
97.71691	0.3
98.97584	1.3
99.04446	1.4
105.03407	0.5
105.04517	0.4
105.07034	2.8
107.04951	0.8
107.08598	7.7
108.02113	2.1
109.02897	0.4
109.06562	1.6
109.10163	1.3
110.03018	0.4
110.03667	2.5
110.97546	0.4
111.04447	2.1
111.08144	0.4
111.98481	1.9
112.01698	0.3
113.06036	0.3
115.05415	0.3
116.98651	0.6
117.03360	0.7
119.04974	2.3
119.08588	1.2
121.04002	0.4
121.06527	0.6
121.10175	0.5
123.04412	0.5
123.08080	0.8
125.05999	17.0
127.03925	1.1
129.99529	1.0
131.08539	0.4
132.95836	3.3
133.02899	0.6
133.06407	0.3
133.10133	6.3
135.04410	0.4
135.08044	0.4
135.11720	2.0
136.01624	0.6
137.05984	4.8
137.09659	1.6
140.04579	0.3
141.05460	2.5
141.07010	0.8
145.02855	0.6
147.04300	0.3
149.05989	2.8
149.07089	0.4
150.96918	3.7
151.03920	100.0
151.05020	9.1
151.07445	3.5
151.11226	1.1
152.04272	1.3
154.06267	0.4
155.07062	0.5
155.97418	2.4
156.07709	0.6
158.99657	0.3
161.09645	2.0
161.13211	0.3
165.05411	0.4
169.06462	0.4
169.10173	0.9
173.98511	3.7
177.00859	0.3
177.05478	0.7
179.07051	19.2
179.10622	4.3
179.14340	0.3
197.06163	0.6
197.08110	5.1
197.09625	1.2
197.11676	4.4
197.13394	0.4
198.18575	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03930	1.0
53.44845	0.3
55.01869	2.4
55.05503	0.7
56.96567	0.7
57.03441	0.6
59.05006	0.4
65.03941	1.9
67.05515	2.2
69.03429	0.5
69.07068	0.6
70.95891	1.6
71.05004	0.5
71.37019	0.5
72.93788	1.0
73.02922	19.8
78.49464	0.3
79.05489	1.0
81.07050	1.2
83.04981	0.6
84.04521	0.3
85.02902	0.5
91.05490	4.2
92.67583	0.3
93.03398	1.3
93.07035	0.7
95.04959	1.9
95.08632	0.6
97.06583	0.4
99.04477	0.5
105.03420	0.5
105.07046	1.0
107.04977	0.4
107.08611	1.9
108.02111	1.9
109.02898	0.5
109.06536	1.1
109.10136	0.7
110.03673	2.9
111.04456	1.9
111.98470	2.5
112.01612	0.4
119.04951	2.1
119.06013	0.6
119.08606	0.5
121.04033	0.5
121.06514	0.5
123.04415	0.8
123.08080	0.6
125.06001	14.9
127.04021	0.5
129.99519	0.7
132.95839	4.2
133.10133	1.5
135.11725	0.6
136.01584	0.7
137.05974	2.1
137.09616	0.9
141.05515	2.5
147.04370	1.6
148.06323	0.6
149.05978	2.9
149.07127	2.6
150.96909	3.6
151.03920	100.0
151.05009	8.1
151.07422	3.1
152.04282	0.8
152.07080	1.1
155.97394	2.3
161.09633	0.8
165.06628	0.7
166.07375	0.4
173.98492	2.8
179.05585	0.6
179.07036	17.3
179.10660	1.5
182.10942	0.3
191.21721	0.4
197.06133	0.6
197.07919	4.7
197.09454	1.0
197.11754	1.4
197.13318	0.6
198.18573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0811
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.88636	0.3
53.03941	0.7
55.01872	3.0
57.03437	0.3
65.03944	2.0
67.05509	2.1
69.03418	0.4
69.07043	0.2
70.95860	0.9
71.10347	0.3
71.10695	0.5
72.93787	0.7
73.02921	18.5
76.81804	0.3
77.03897	0.3
79.05486	0.6
81.07043	0.7
83.05001	0.4
84.02132	0.2
84.04517	1.6
85.02912	0.7
85.06539	0.3
86.09724	0.8
91.05491	3.8
93.03387	1.3
93.07050	0.6
95.04984	2.0
95.08604	0.5
97.02895	0.4
99.04443	0.3
101.00865	0.3
105.03405	0.5
105.04492	0.4
105.07046	0.8
107.04942	0.3
107.08609	0.9
108.02110	1.9
109.02905	0.5
109.06504	1.2
109.10146	0.4
109.66492	0.2
110.03667	2.8
111.04461	1.6
111.98489	0.7
112.01601	0.3
113.00829	0.3
117.03384	0.3
119.01943	0.3
119.04936	1.9
123.04488	0.5
123.08042	0.4
124.07607	0.4
125.06001	13.5
126.06291	0.4
129.99478	0.4
131.08597	0.4
132.95845	2.3
133.02849	0.8
133.10139	1.7
135.04407	0.3
135.11658	0.5
136.01561	0.6
137.05992	2.1
137.09644	0.4
141.05482	2.3
143.01895	0.4
149.06013	2.7
150.96918	1.7
151.03920	100.0
151.05019	8.6
151.07442	3.2
152.04271	0.9
155.97409	0.7
161.03032	0.4
161.09691	0.4
165.05568	0.3
169.06285	0.4
173.13208	0.3
173.98517	1.0
179.07037	17.8
179.10638	1.1
180.07352	0.4
197.06238	0.5
197.08028	5.2
197.09441	0.5
197.11743	0.6
198.18568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.8
57.03413	0.3
65.07621	0.3
65.41309	0.3
68.04770	0.8
69.03447	0.5
70.79404	0.7
72.08154	4.4
73.02879	0.5
75.20451	0.3
76.10471	0.3
80.04757	0.6
84.33894	0.4
85.02881	0.5
89.87585	0.4
97.02889	0.4
98.97601	1.8
102.09174	0.6
109.02872	0.3
124.03732	1.4
124.07335	1.7
128.98598	0.4
131.96170	0.6
145.01735	0.4
149.97160	0.4
184.04884	0.5
196.09457	100.0
197.09836	0.6
211.92006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04773	0.5
70.14033	1.2
70.14366	0.3
72.07793	0.4
72.08163	5.1
74.05212	0.2
77.67435	0.2
80.04769	0.4
81.14716	0.3
102.09184	0.9
111.98446	0.3
124.03709	1.3
124.07349	2.1
158.91438	0.3
196.09468	100.0
197.09789	1.4
217.49040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
55.01859	6.9
55.05513	45.8
57.03431	6.6
57.07082	17.7
58.94252	3.1
59.05005	3.4
60.92297	2.9
65.03928	4.6
67.05509	41.7
69.03426	7.4
69.04565	3.8
69.07072	56.9
71.04995	26.5
71.08614	2.8
71.57784	3.3
77.03949	3.9
79.05496	46.0
81.03393	5.9
81.07062	94.9
83.04984	14.5
83.08621	23.5
85.06561	19.9
89.03912	12.3
91.05486	29.2
92.05803	2.8
93.07046	64.3
95.04962	9.0
95.08612	100.0
97.06528	7.7
97.10178	19.8
99.08089	35.3
103.05471	20.7
105.04518	3.3
105.07033	45.1
106.04176	4.0
107.04967	55.0
107.08599	92.4
109.06516	7.1
109.10160	79.4
110.07143	13.8
111.04439	2.8
111.08089	18.2
111.11725	5.2
113.09641	7.4
117.03393	26.0
119.04935	5.4
119.08579	12.9
121.02858	17.1
121.06502	10.0
121.10149	87.0
123.04390	5.3
123.08090	3.9
123.11700	21.7
124.58562	4.2
125.05982	3.3
125.09628	15.7
131.08600	6.8
131.96149	5.4
133.02933	3.2
133.06509	5.6
134.03667	3.3
135.04445	7.4
135.08047	54.3
135.11693	41.3
137.05972	7.4
137.09648	4.4
137.13249	20.7
138.06633	63.7
139.03865	5.1
139.11171	11.6
145.02849	49.4
147.04362	6.5
148.04781	6.2
149.06015	19.3
149.09598	7.3
149.13255	11.9
150.86040	2.9
151.11125	3.2
151.14796	6.9
154.06267	7.7
159.11714	9.7
163.03935	8.4
163.07585	24.2
165.05508	6.7
166.05777	5.6
167.07071	46.7
177.05475	55.8
177.09113	6.2
177.12759	9.8
177.16402	97.6
180.04227	3.2
180.07761	16.2
195.02916	5.6
195.06627	6.5
195.08755	84.5
195.10222	29.7
195.11900	4.7
195.13773	15.5
195.17467	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01875	9.8
55.05511	34.8
57.07074	8.4
59.04980	2.0
65.30987	1.3
67.05506	13.9
69.03433	21.6
69.07069	68.8
70.73574	3.7
71.05002	9.5
71.08610	2.1
79.05491	18.2
81.07056	53.1
83.04962	4.2
83.08621	28.0
84.86594	1.3
85.06539	12.8
89.03942	2.5
91.05486	6.5
93.07041	34.0
95.08609	81.4
97.06512	2.3
97.10159	15.6
98.21438	1.4
99.08096	93.7
105.07016	7.8
107.04932	2.0
107.08595	67.4
109.06541	1.8
109.10164	20.0
110.07164	3.9
111.07348	2.3
111.08081	28.6
111.11736	7.9
113.09638	6.8
117.03391	4.9
119.08579	2.5
121.02885	2.2
121.10144	94.4
123.11694	10.8
125.09640	60.0
125.10508	1.4
127.11211	1.6
130.93634	1.4
133.10170	1.8
135.04433	1.5
135.08044	3.2
135.11691	22.8
137.12285	2.9
137.13245	26.9
138.06635	13.4
139.11185	7.5
145.02823	9.3
145.11145	1.4
149.05984	3.8
149.09641	2.7
149.13306	8.2
153.12752	1.5
177.05478	10.5
177.09119	4.7
177.16385	100.0
195.06544	2.1
195.06866	2.5
195.08740	21.0
195.10237	2.5
195.13850	2.1
195.17439	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03931	2.4
55.01870	7.0
55.05262	1.9
55.05516	34.3
57.03439	2.3
57.07076	12.0
59.05014	1.6
62.75156	1.2
63.09638	1.2
65.03928	2.1
67.05506	20.4
69.03430	12.6
69.07072	60.0
70.59033	4.4
71.05000	12.8
71.08643	2.5
79.05489	21.2
81.07063	56.1
82.07388	1.7
83.04985	4.0
83.06116	1.7
83.08627	26.6
85.06551	10.1
89.03918	11.5
90.79056	1.5
91.05480	12.5
93.07055	30.7
95.04973	4.4
95.08613	84.8
97.06535	3.1
97.10182	14.9
99.08101	61.6
103.05463	2.9
105.07043	9.2
106.04202	2.4
107.04972	9.3
107.08602	57.3
109.06500	4.1
109.09454	2.1
109.10165	29.9
110.07152	3.2
111.08086	20.8
111.11723	6.9
113.09657	8.4
117.03384	18.0
119.08586	2.5
121.02872	1.5
121.06512	5.6
121.10150	94.8
123.08088	1.5
123.11714	11.6
125.09634	40.6
125.13248	1.8
131.08559	2.3
133.02849	3.9
133.10100	1.8
134.03632	3.7
135.04385	9.2
135.08070	2.9
135.11696	20.4
137.05960	2.4
137.13268	25.6
138.06619	22.5
139.11174	5.6
145.02846	32.6
149.05986	15.7
149.09679	1.7
149.13292	7.8
150.06824	2.3
152.04695	2.0
153.12746	1.6
162.06679	2.0
163.03886	8.9
164.08289	6.8
165.05467	9.0
167.07039	7.6
177.04315	1.1
177.05481	36.1
177.16399	100.0
180.07819	10.8
195.06619	2.7
195.08755	29.1
195.10243	16.9
195.17438	32.6
205.11539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
52.95369	1.3
53.03936	4.2
55.01873	6.1
55.05261	1.7
55.05516	34.3
56.05027	1.2
56.79395	1.2
56.96564	6.2
57.03439	5.9
57.07074	14.2
59.05007	2.3
61.02918	1.4
61.03814	1.1
63.02368	1.1
65.03938	4.5
67.05510	23.2
68.99782	2.0
69.03439	5.7
69.04549	3.8
69.07073	65.6
70.07384	1.6
71.05004	7.5
71.08630	3.8
71.57659	1.8
77.03938	1.7
79.05050	2.4
79.05495	32.7
81.03438	2.7
81.07059	60.4
83.04982	5.2
83.06094	4.5
83.08628	15.5
84.08135	2.0
85.02915	1.8
85.06555	11.3
89.03917	21.1
89.06025	1.8
91.05477	21.4
93.03394	2.6
93.07050	46.8
95.04971	9.6
95.08613	72.2
97.02888	2.5
97.06535	4.8
97.10175	17.6
98.97592	38.8
99.08097	16.3
103.05468	9.8
105.04498	1.8
105.07034	22.9
106.04186	2.6
107.04964	65.5
107.08598	55.2
109.06498	5.1
109.10159	23.5
110.07175	15.9
111.04445	2.7
111.08095	7.8
111.11704	3.8
113.09596	1.5
115.05457	5.7
116.98638	12.0
117.03381	42.2
117.07048	3.7
119.04968	2.0
119.06029	1.5
119.08553	5.6
120.05747	2.8
121.02902	6.1
121.06522	13.6
121.10144	57.0
123.04408	4.2
123.08076	2.9
123.11726	8.9
124.05202	1.8
125.05965	3.4
125.09644	7.5
128.02301	5.5
131.04926	2.5
131.08572	4.2
133.02826	1.7
133.06494	1.8
133.10144	2.0
134.03624	8.0
134.99669	2.7
135.04420	9.1
135.08063	38.0
135.11691	24.5
136.07564	1.5
137.06041	7.3
137.09564	3.3
137.13278	12.5
138.06639	76.5
139.03928	2.4
139.07558	2.2
139.11205	5.1
145.02852	75.9
145.07655	1.2
146.07283	4.0
147.04417	3.2
149.05984	23.1
149.09645	5.7
149.13246	7.7
150.06616	1.9
151.07542	2.7
151.14853	3.0
152.04689	1.9
153.01845	1.7
153.05484	6.2
153.09065	3.1
153.12701	2.2
154.06239	3.6
158.99658	17.4
159.11678	3.4
162.03107	1.6
162.06749	3.3
163.03897	9.6
163.07552	26.0
164.08321	5.0
165.05479	4.1
165.06793	9.5
165.09157	3.0
167.07050	25.2
170.99699	1.6
174.07272	22.7
174.57481	4.0
177.00688	12.3
177.05475	86.5
177.08966	5.8
177.12766	5.0
177.16397	49.2
178.05878	1.3
180.07858	10.0
183.07919	1.2
185.58069	3.0
195.02946	3.7
195.06606	15.8
195.08774	100.0
195.10251	22.9
195.13831	4.2
195.15747	1.3
195.17442	26.9
196.09154	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03928	5.3
55.01859	6.9
55.05513	45.8
57.03431	6.6
57.07082	17.7
58.94252	3.1
59.05005	3.4
60.92297	2.9
65.03928	4.6
67.05509	41.7
69.03426	7.4
69.04565	3.8
69.07072	56.9
71.04995	26.5
71.08614	2.8
71.57784	3.3
77.03949	3.9
79.05496	46.0
81.03393	5.9
81.07062	94.9
83.04984	14.5
83.08621	23.5
85.06561	19.9
89.03912	12.3
91.05486	29.2
92.05803	2.8
93.07046	64.3
95.04962	9.0
95.08612	100.0
97.06528	7.7
97.10178	19.8
99.08089	35.3
103.05471	20.7
105.04518	3.3
105.07033	45.1
106.04176	4.0
107.04967	55.0
107.08599	92.4
109.06516	7.1
109.10160	79.4
110.07143	13.8
111.04439	2.8
111.08089	18.2
111.11725	5.2
113.09641	7.4
117.03393	26.0
119.04935	5.4
119.08579	12.9
121.02858	17.1
121.06502	10.0
121.10149	87.0
123.04390	5.3
123.08090	3.9
123.11700	21.7
124.58562	4.2
125.05982	3.3
125.09628	15.7
131.08600	6.8
131.96149	5.4
133.02933	3.2
133.06509	5.6
134.03667	3.3
135.04445	7.4
135.08047	54.3
135.11693	41.3
137.05972	7.4
137.09648	4.4
137.13249	20.7
138.06633	63.7
139.03865	5.1
139.11171	11.6
145.02849	49.4
147.04362	6.5
148.04781	6.2
149.06015	19.3
149.09598	7.3
149.13255	11.9
150.86040	2.9
151.11125	3.2
151.14796	6.9
154.06267	7.7
159.11714	9.7
163.03935	8.4
163.07585	24.2
165.05508	6.7
166.05777	5.6
167.07071	46.7
177.05475	55.8
177.09113	6.2
177.12759	9.8
177.16402	97.6
180.04227	3.2
180.07761	16.2
195.02916	5.6
195.06627	6.5
195.08755	84.5
195.10222	29.7
195.11900	4.7
195.13773	15.5
195.17467	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	195.1383
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.59851	0.8
53.03940	1.4
55.01862	2.9
55.05514	9.9
56.05006	1.0
56.96336	1.1
56.96572	13.4
57.03422	2.0
57.07066	2.5
65.03928	2.4
67.05511	18.6
68.96328	1.1
69.03419	1.4
69.04571	4.9
69.07078	12.4
69.60031	2.1
69.60441	3.5
69.96133	0.8
71.01337	0.9
71.04979	3.3
71.95260	1.6
78.37759	0.9
79.05498	19.4
81.03400	3.6
81.07062	39.6
83.04987	5.7
83.06100	3.6
83.08630	3.9
84.08136	1.5
85.06538	3.7
89.03907	4.1
91.05483	13.3
93.03378	1.0
93.07053	25.0
95.04978	5.2
95.08611	18.3
97.06566	4.6
97.10152	1.0
100.02475	1.6
105.07018	5.9
107.04943	6.5
107.08598	14.7
109.02894	1.4
109.04040	1.9
109.06515	3.4
109.10161	2.7
110.07177	15.3
111.04420	1.5
111.07364	0.9
111.08098	2.9
111.11729	5.4
112.99104	1.2
117.03394	7.0
117.07001	5.3
119.08576	2.9
121.02847	2.1
121.06506	4.9
121.10133	9.8
123.04375	1.5
123.08057	1.3
123.11697	1.2
124.05241	0.8
125.09608	1.7
130.96291	1.5
131.00168	2.0
131.08598	5.9
131.96135	1.4
133.10133	7.4
134.03641	1.0
135.04436	3.0
135.08063	4.7
135.11697	16.4
137.09604	1.7
137.13335	1.0
138.06631	77.0
139.03883	1.2
139.07573	1.6
145.02858	10.6
148.97374	2.7
149.01274	1.2
149.05956	4.8
149.09653	3.3
149.13280	9.6
149.97205	3.1
150.53487	0.8
151.11165	1.3
152.06151	1.3
153.09087	1.6
154.06195	1.9
154.97638	0.9
156.02667	0.9
159.03896	2.9
159.11710	7.4
163.03935	4.6
165.05717	0.8
165.06985	4.3
167.07101	1.9
167.08601	2.1
170.04179	1.0
171.98979	1.7
172.02812	2.2
173.03619	1.2
177.03998	1.7
177.05461	13.8
177.06885	1.4
177.09074	1.8
177.12772	7.3
177.16393	2.0
180.06488	0.9
180.07913	1.4
180.09396	2.4
181.03387	0.9
195.02905	6.6
195.06641	6.5
195.08786	100.0
195.11728	6.3
195.13547	7.6
195.15738	2.7
195.17340	4.5
196.09326	1.3
211.22527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.31156	0.8
53.03952	5.4
53.91797	0.8
55.01864	2.4
55.05513	12.1
56.96541	3.5
57.03422	3.4
57.07070	1.3
59.54293	0.9
65.03926	2.9
67.05508	51.8
69.03423	2.0
69.04543	2.5
69.06729	0.9
69.07070	14.4
70.45863	1.8
70.46229	2.0
71.01331	3.2
71.04995	4.9
73.02901	1.9
74.66628	0.9
77.00891	1.0
77.03929	0.9
79.05496	46.9
81.03420	7.6
81.07063	100.0
83.04987	8.4
83.06065	2.5
83.08631	6.7
85.06525	2.3
89.03900	1.1
91.05486	26.0
93.07051	59.4
95.04979	6.2
95.08614	43.2
97.06549	10.1
97.10145	1.0
98.21436	1.0
99.08083	1.2
101.05975	1.2
103.05437	3.6
105.04498	1.6
105.07034	15.5
107.04294	1.7
107.04966	24.4
107.08601	25.4
109.04019	1.4
109.06496	3.6
109.10135	2.5
110.07164	7.1
111.08122	4.7
113.05970	1.0
115.05434	1.9
117.03351	2.7
117.07038	9.3
119.08553	3.1
120.05742	1.0
121.06536	5.4
121.10155	6.6
123.04401	1.8
123.11666	2.2
125.09583	1.2
129.07094	1.2
131.08562	11.3
132.06059	1.2
133.10144	17.4
135.08089	7.6
135.11699	40.2
138.06635	29.6
138.07732	1.8
139.03941	1.2
145.02850	4.6
149.05969	1.9
149.09576	2.7
149.13269	20.1
151.11137	3.3
152.04634	1.3
153.09056	1.5
154.06244	2.8
159.11702	19.7
163.03941	2.0
163.07562	9.1
165.06995	1.3
167.07042	9.3
177.05496	6.0
177.06825	0.8
177.12767	16.2
177.16325	0.9
180.07849	2.1
180.09286	1.7
195.02907	3.5
195.06612	2.7
195.08737	45.0
195.10223	6.2
195.13771	16.7
195.15477	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	195.1018
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00306	0.6
53.03946	1.9
55.01873	2.7
55.05508	2.1
56.05536	0.5
56.96568	4.0
57.03444	0.8
65.03934	1.6
65.31676	0.5
67.05515	3.8
69.03416	0.9
69.04556	2.5
69.07071	2.3
69.64661	2.7
70.06582	0.6
70.94262	0.6
71.04991	0.7
77.99741	0.6
78.04682	0.8
79.05495	16.9
81.03416	1.6
81.07065	7.4
83.05002	1.1
83.06093	1.1
83.08627	1.3
84.08161	1.1
89.03912	1.7
89.06040	1.4
91.05487	12.6
93.03419	0.9
93.07046	5.7
95.04985	6.1
95.08618	4.0
97.06564	1.1
103.05472	11.2
105.04499	1.1
105.06368	1.1
105.07034	12.7
106.04178	0.6
107.04962	100.0
107.08607	5.0
108.05261	0.6
109.06546	1.5
109.10197	1.4
110.07178	6.8
111.04465	1.5
111.08125	1.2
115.05461	8.0
116.06210	0.7
117.03372	3.6
117.06255	0.8
117.06974	3.5
119.04943	1.7
119.08597	0.6
120.05723	2.5
121.06513	1.5
121.10187	2.0
123.04446	3.5
124.05218	2.5
125.06014	2.3
130.96330	0.6
131.00189	0.8
131.04912	1.6
131.08566	1.3
133.02887	0.6
133.10143	1.0
134.03673	1.3
135.04424	1.8
135.08064	25.6
135.11641	3.0
137.05989	1.6
138.06635	38.1
139.03918	2.3
145.02859	5.8
145.06535	0.6
145.07628	1.7
147.04414	2.9
148.97490	0.5
149.05994	2.6
149.09654	0.9
149.13243	1.7
149.97285	0.6
151.03914	1.7
152.04749	1.5
154.06259	7.1
158.94221	0.5
159.11722	1.1
162.06761	0.7
163.03900	1.7
163.07561	29.7
165.05492	2.0
165.07028	1.8
167.07057	37.9
172.02869	1.2
177.05475	8.1
177.12830	1.5
177.16446	0.7
180.07864	7.6
180.09367	1.5
195.03000	4.0
195.06670	1.5
195.08780	48.2
195.10255	25.8
195.11702	2.9
195.13751	1.1
195.15634	1.2
196.09227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33514	0.4
53.03929	1.4
55.01865	1.6
55.05505	1.0
56.25725	0.4
56.96557	0.6
56.97782	0.5
57.46430	0.4
63.54382	0.4
65.03947	5.3
67.05489	1.8
69.03427	0.7
69.04518	0.5
69.07050	1.4
69.62412	2.8
71.04986	0.6
77.03921	0.5
79.05062	0.6
79.05499	7.6
81.03422	1.0
81.07069	2.2
85.06580	0.6
89.03928	2.9
91.05486	5.6
92.06239	0.6
93.03403	7.0
93.07035	2.1
93.90374	0.5
95.04970	1.8
95.08618	2.2
98.21491	0.6
99.08110	0.9
103.05473	23.9
105.07037	10.1
107.04959	32.3
107.08606	2.2
109.02870	1.4
109.06538	0.5
109.10114	0.8
110.07142	1.6
111.04456	5.1
111.08083	0.7
111.11768	0.5
115.05479	3.8
117.03376	3.9
117.07046	1.1
120.05702	2.3
121.02853	0.4
121.06499	2.0
121.10163	1.9
124.05192	2.3
125.06014	1.1
131.04959	4.3
132.05734	0.5
133.06461	1.0
134.03659	0.9
135.04439	0.7
135.08058	18.7
135.11717	1.2
138.06631	8.5
139.03905	31.1
145.02852	6.7
145.06552	0.7
145.07660	1.0
148.05205	1.1
149.05965	2.4
150.06540	0.5
151.19180	0.5
154.06256	100.0
155.06630	1.1
156.41487	0.4
163.03856	1.2
163.07552	30.5
165.05148	0.4
167.07069	4.4
177.05475	7.6
177.12660	0.7
177.16446	1.7
180.07817	1.3
186.00435	0.5
195.02969	0.8
195.06622	1.0
195.08752	10.3
195.10249	5.7
195.11865	0.9
195.13815	0.7
195.17448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00301	0.8
53.03942	2.5
55.01867	2.6
55.05503	2.4
56.96571	1.3
57.03430	2.9
57.47740	0.7
59.05004	0.8
65.03945	1.3
67.05505	2.4
68.99786	0.9
69.03433	1.3
69.04552	1.3
69.07059	2.9
69.22482	0.7
69.36723	2.4
69.37148	3.5
71.01361	0.7
71.04992	0.9
77.03934	1.3
78.04694	1.2
78.74280	0.6
79.05054	1.3
79.05497	17.3
81.03411	1.5
81.07071	4.9
83.04990	1.5
85.06561	1.1
89.03920	4.2
89.06034	0.7
91.05483	14.7
92.06287	0.6
93.03391	1.5
93.07056	8.1
94.04194	0.6
95.04974	6.7
95.08626	3.5
97.06551	1.2
98.20724	1.5
98.97604	1.2
99.04454	0.6
103.05476	16.2
104.06264	0.9
105.04528	0.9
105.07039	24.1
106.04196	1.6
107.04963	100.0
107.08597	6.7
109.06532	2.9
109.10158	1.3
110.07164	4.6
111.04475	2.0
111.08123	0.9
115.05469	9.9
116.06263	0.8
117.03405	5.3
117.07003	4.1
119.04957	2.2
119.08599	2.2
120.05733	3.5
121.06520	14.9
121.09353	0.8
121.10153	2.6
123.04420	4.5
123.08023	0.8
123.11686	0.9
124.05218	3.0
125.06012	2.6
131.04933	3.4
131.08595	1.8
133.02824	0.9
133.06525	2.0
133.10147	1.0
134.03685	1.2
135.04454	2.4
135.08063	47.3
135.11674	5.0
137.05977	8.0
137.09636	2.3
138.06659	31.5
139.03918	2.4
139.07620	1.5
145.02858	11.5
145.06534	1.5
145.07643	2.8
146.07224	5.3
147.04425	3.7
148.05232	1.9
149.05992	4.3
149.09653	4.6
151.03880	1.4
151.07555	2.5
152.04666	1.2
153.05507	1.0
153.09145	4.0
154.06262	6.8
159.11690	1.1
161.05991	1.3
161.81548	0.7
162.06743	3.9
163.03905	2.4
163.07564	45.1
165.05544	2.0
165.09073	1.0
167.07054	37.2
177.05498	14.5
177.09055	5.5
177.12727	2.1
180.07823	9.9
192.31435	0.7
195.06615	1.4
195.08755	25.7
195.10243	35.9
195.13885	2.2
201.21548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28633	0.4
51.02360	0.5
53.03939	0.8
55.01863	1.7
55.05501	2.0
56.96569	0.5
57.03425	0.5
65.03945	4.9
67.05508	2.7
68.99802	1.2
69.03429	0.6
69.07055	1.7
69.28059	4.3
71.04984	1.1
77.03926	0.7
78.05163	0.5
79.05502	7.0
80.05799	0.5
81.03426	1.6
81.07055	5.2
83.04974	0.8
83.06085	0.6
83.08608	1.1
83.88050	0.5
85.06533	1.1
89.03921	2.1
91.05489	5.8
93.03412	5.6
93.07049	4.2
95.04972	2.3
95.08612	4.6
97.06493	0.9
97.10143	0.5
99.08104	0.8
102.04639	0.5
103.05476	23.4
105.06372	0.8
105.07040	8.8
107.04966	28.7
107.08588	4.6
109.02876	1.4
109.06557	1.0
109.10152	2.6
110.07143	2.4
111.04454	5.6
111.08100	0.9
115.05482	3.9
117.03396	4.1
117.07017	1.4
120.05739	2.4
121.02850	0.6
121.06489	1.8
121.10151	2.6
123.11670	0.9
124.05193	2.0
125.06001	1.4
125.09632	1.1
131.04948	4.3
131.08519	0.6
133.06465	0.7
134.03622	0.7
135.04437	0.8
135.08063	18.3
135.11673	2.3
137.06000	0.6
138.06639	11.9
139.03914	28.1
145.02840	6.4
145.06531	0.6
145.07628	1.5
148.05165	1.0
149.06035	2.5
149.09689	0.6
153.09138	2.1
154.06261	100.0
161.93301	0.4
162.56628	0.6
163.03899	1.5
163.07555	29.6
164.08080	0.5
167.07091	4.0
177.05487	7.2
177.12781	0.9
177.16440	1.6
180.07866	0.9
195.02844	0.9
195.06694	1.0
195.08778	16.8
195.10262	5.6
195.13660	0.8
207.93518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.98973	0.3
53.03936	1.3
55.01869	0.5
55.05308	0.4
55.05513	3.9
57.03428	1.2
57.07066	0.8
57.31869	0.3
58.59003	0.3
59.04977	0.6
65.03923	0.5
67.01862	2.5
67.05508	5.4
68.92905	0.3
68.99776	1.0
69.03430	0.8
69.07069	3.5
70.22153	1.4
71.04985	0.8
74.37589	0.3
77.03888	0.3
79.05495	4.2
81.03420	6.1
81.07063	6.9
83.04974	1.7
83.08634	1.7
85.02898	1.6
85.06537	1.1
91.05482	7.2
91.97314	0.4
92.70741	0.5
93.07053	6.9
95.04987	3.3
95.08041	0.6
95.08607	8.3
97.06538	0.8
99.08108	1.8
103.05463	0.8
103.55508	0.4
105.07037	13.5
106.07378	0.4
107.04935	1.0
107.08599	8.5
108.08875	0.4
109.02856	0.5
109.06524	2.8
109.09444	0.6
109.10158	7.0
111.08087	0.7
115.05440	0.7
117.07002	0.7
119.04951	0.5
119.08587	15.8
121.06480	0.7
121.10147	4.0
123.08081	1.8
123.11680	2.0
125.05977	1.7
127.03899	1.0
129.06963	0.4
131.08586	2.1
133.02846	1.0
133.06519	3.4
133.10132	18.5
134.10458	0.5
135.10709	0.9
135.11694	11.0
137.05974	0.8
137.09612	3.5
145.10129	0.9
147.03340	0.3
147.04378	2.4
147.06406	0.3
147.07973	0.6
147.11676	5.6
149.13310	1.9
150.03128	0.7
151.03885	2.0
151.11180	1.1
151.14810	0.7
153.01831	2.5
157.10104	0.5
161.05981	2.2
165.05478	0.4
169.04962	1.2
173.13182	0.4
175.03902	0.7
175.11205	1.5
175.14847	15.6
176.15150	0.4
178.02603	5.4
193.04970	100.0
193.12144	2.3
193.15915	10.4
194.05353	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91123	2.6
55.01868	4.0
55.05515	24.0
57.07076	6.0
67.05506	28.7
68.29503	2.8
69.03432	8.2
69.07079	21.2
70.70756	5.5
71.04992	7.8
79.05496	18.9
81.03416	8.4
81.07061	44.9
83.04999	11.8
83.08616	10.9
85.06544	6.6
91.05498	19.7
93.07056	40.0
95.04972	8.8
95.08614	60.1
97.06535	6.6
97.10170	8.4
99.08121	16.2
105.07030	45.4
107.08604	58.2
109.06523	26.6
109.10162	46.1
111.08079	10.2
115.05504	2.7
118.90265	2.6
119.07787	4.0
119.08597	59.4
119.09441	3.1
121.10148	18.7
123.08102	16.0
123.11718	18.7
131.08545	3.6
133.02875	21.5
133.06506	6.6
133.10141	48.9
135.11710	53.6
137.05986	6.5
137.09628	29.6
147.11667	19.6
149.13264	21.1
151.11168	9.8
151.14809	8.8
155.46768	2.5
161.05963	7.1
165.12335	2.6
175.14835	64.8
178.02629	11.3
181.36656	2.5
193.04982	52.5
193.08679	3.6
193.12244	4.8
193.15900	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	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03947	2.7
54.21060	1.3
55.01865	3.0
55.05514	12.8
56.96571	3.1
57.07069	2.6
59.05008	2.2
65.03952	2.8
67.05506	18.0
69.03427	3.1
69.06726	1.7
69.07074	28.3
71.04714	1.4
71.05006	16.0
71.58321	1.5
79.05503	12.4
81.03405	2.5
81.07059	28.2
83.04970	2.9
83.08613	4.0
85.06554	12.4
91.05485	15.3
93.07053	33.1
95.04979	37.7
95.08613	30.8
97.06522	5.6
97.10185	7.3
99.08089	3.7
103.05464	2.7
105.03381	1.9
105.07035	29.4
107.04948	1.8
107.08601	37.7
109.06525	100.0
109.10159	20.3
110.97618	2.2
111.08056	6.8
111.11714	2.3
115.05465	2.6
119.07779	2.6
119.08583	31.8
121.10153	12.8
123.04464	1.7
123.08102	10.1
123.11713	21.5
128.98624	3.0
129.07021	1.9
131.08572	4.0
133.02840	5.8
133.06519	10.2
133.10139	34.1
135.08095	3.1
135.11702	38.0
137.05946	3.8
137.09630	18.5
146.97423	1.7
146.99629	2.5
147.08067	4.9
147.11708	8.2
149.02318	2.0
149.06023	1.6
149.13281	10.5
150.03105	2.3
151.07449	2.0
151.11195	8.2
151.14780	1.5
160.12517	1.3
161.06049	8.3
165.05510	5.7
165.09167	2.4
175.07527	2.5
175.11296	1.5
175.14838	40.2
178.02621	5.6
178.07742	1.5
192.07372	3.8
193.04973	31.9
193.08748	6.6
193.10213	3.0
193.12239	5.0
193.15889	69.1
194.08174	3.2
194.15536	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03924	1.4
55.05260	1.7
55.05508	18.9
57.03413	2.2
57.07071	5.9
59.04985	4.2
65.00849	1.1
65.03922	1.7
67.05505	25.5
69.03438	9.1
69.06723	1.6
69.07068	20.9
70.68153	2.8
71.04989	9.1
79.05486	14.2
79.27350	1.2
81.03429	9.6
81.07060	46.6
81.17979	1.2
83.04984	11.0
83.08624	9.7
85.06525	6.1
91.05478	15.0
93.06458	2.5
93.07047	39.3
95.04958	11.5
95.08609	61.2
97.06535	8.0
97.10157	5.1
99.08088	4.6
103.05420	1.3
105.07037	39.2
107.08598	45.4
108.08918	1.6
109.06524	33.6
109.10155	41.7
110.06822	1.4
111.08098	11.9
115.05416	1.5
118.95805	1.2
119.08584	59.5
121.10140	21.6
123.08067	21.7
123.11710	18.3
125.09675	1.7
129.07019	1.5
131.08551	2.9
133.06468	4.0
133.10138	46.9
135.11696	50.7
137.06007	1.6
137.09618	28.7
141.61937	1.3
147.11658	11.3
149.13257	22.5
151.11226	7.8
151.14851	6.4
161.05969	2.8
165.16385	1.4
175.14832	61.5
193.05028	2.1
193.15884	100.0
194.16280	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.78259	1.6
53.03940	3.4
55.01865	7.8
55.05515	21.8
57.03431	3.2
57.07072	6.0
59.05003	4.9
65.03926	2.9
67.05512	36.7
69.03434	7.7
69.07068	17.3
69.23602	6.7
69.24035	10.2
69.98048	1.7
71.04987	7.8
79.05495	23.2
81.03423	11.2
81.07063	39.8
83.05000	11.0
83.08625	6.8
85.06538	17.7
91.05485	29.2
93.07050	41.4
95.04968	12.1
95.08614	43.5
97.02895	1.9
97.06540	4.8
97.10172	2.8
98.97552	1.7
99.08103	61.8
103.05479	10.0
104.16837	1.7
105.03419	3.4
105.07040	100.0
106.07339	3.5
107.04964	3.7
107.08598	42.9
109.06525	19.3
109.10164	66.0
111.08085	6.3
115.05465	15.1
117.07049	5.4
118.04166	6.4
119.04958	2.4
119.08590	58.2
121.02850	1.6
121.10150	17.1
123.08086	17.9
123.11732	14.9
129.06995	2.6
131.04932	3.9
131.08582	7.2
133.02853	7.8
133.06502	54.8
133.10135	62.5
134.10501	1.8
135.08073	5.3
135.11708	49.3
135.12701	3.3
137.06006	5.9
137.09625	25.3
142.07840	1.8
143.06055	3.7
145.10123	3.4
147.04439	2.4
147.08073	4.6
147.11708	23.9
149.02354	4.8
149.06018	2.8
149.09642	4.0
149.13264	11.2
150.03137	3.0
151.07530	2.6
151.11183	9.2
151.14862	3.0
157.10182	3.6
161.02380	3.0
161.05991	49.6
165.05574	3.0
165.09180	4.3
165.12756	3.7
165.16449	3.7
175.03912	1.8
175.07695	1.7
175.11258	9.2
175.14862	44.3
178.02640	15.1
193.04988	54.6
193.08627	20.3
193.10127	2.4
193.12247	13.1
193.15924	80.6
211.61456	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03928	4.9
55.01867	4.1
55.05264	1.8
55.05512	34.8
57.03440	1.9
57.07060	7.0
59.04978	4.5
64.46423	1.5
65.03932	3.7
67.05506	54.2
69.03416	5.3
69.07067	19.7
69.42456	9.9
69.42870	3.3
71.04981	5.0
71.08626	2.3
73.60233	1.4
79.05061	1.7
79.05494	24.1
81.03421	31.7
81.07060	37.7
83.04983	14.4
83.08614	12.6
85.06544	29.6
85.10120	1.7
91.05479	21.8
93.07046	45.7
95.04976	23.2
95.08605	44.1
97.06538	3.0
97.10160	3.2
99.08093	54.4
105.07028	29.8
107.04903	1.6
107.08595	52.1
109.06532	15.8
109.10156	100.0
111.08105	8.0
115.05410	2.4
118.04144	2.0
119.04900	1.8
119.08581	45.9
121.06467	2.5
121.10157	22.5
123.08078	22.2
123.11728	13.2
125.09586	2.1
129.07036	2.3
131.08575	4.4
133.06511	10.3
133.10130	47.4
135.11694	67.5
137.09625	44.2
137.13248	1.8
138.10352	3.7
139.11124	2.5
142.07712	1.7
145.10185	2.3
147.11674	8.4
149.04858	1.6
149.09724	1.6
149.13283	8.4
151.11177	11.6
151.14789	7.4
157.10188	1.8
161.05981	7.8
165.09100	1.6
165.16360	4.8
175.11206	3.3
175.14832	33.0
176.13274	1.7
183.52982	1.4
193.04939	6.9
193.08611	4.7
193.12202	3.6
193.15878	91.8
205.73538	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03949	2.8
55.05513	31.0
55.92898	1.7
57.03432	1.9
57.07090	3.9
59.04996	2.5
60.61481	1.6
62.78786	1.7
67.05503	25.8
69.03416	4.5
69.07076	15.8
71.05001	10.0
71.08627	1.9
73.55304	1.5
79.05494	10.4
81.03410	6.6
81.07059	25.7
83.04988	61.4
83.08616	6.9
85.06549	10.8
88.07513	1.6
89.84613	1.5
91.05500	13.2
93.07047	22.6
95.04972	6.3
95.08045	3.0
95.08615	43.9
97.06513	7.4
98.20731	4.7
99.08093	11.8
103.05491	2.1
105.07038	23.2
107.08603	40.4
109.06522	11.2
109.10167	72.0
111.08073	3.1
111.11780	1.9
115.05453	3.9
119.08591	43.3
121.10165	20.9
123.08077	25.7
123.11718	19.8
123.53478	1.8
125.09659	2.8
133.02853	2.0
133.06499	6.8
133.10139	55.6
135.11700	67.6
137.09621	22.1
138.10429	3.0
147.11707	8.1
149.13290	9.3
151.11182	7.7
151.14845	16.8
158.17906	1.6
161.05998	7.3
165.16396	5.2
175.11345	2.4
175.14853	43.9
178.02647	2.6
193.04973	7.0
193.08624	3.7
193.15895	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	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.7
53.72666	2.5
55.01858	4.6
55.05511	30.9
56.96552	2.3
57.03439	3.8
57.07060	6.9
59.05000	3.6
59.95868	2.0
67.05504	52.6
69.03416	6.8
69.07071	23.2
70.89941	5.1
70.90280	2.6
71.04985	6.9
78.82637	2.3
79.05493	31.9
81.03419	56.2
81.06633	3.8
81.07062	42.0
83.04986	18.8
83.08623	13.8
85.06555	14.2
91.04955	3.2
91.05479	31.9
93.07043	43.7
95.04968	28.4
95.08602	46.7
97.02884	3.2
97.06538	6.6
97.10168	4.6
99.08096	34.1
103.05470	5.9
105.07030	52.8
107.04980	5.7
107.08595	50.6
109.06520	21.1
109.10155	63.7
111.08106	9.2
115.05450	9.4
117.07059	3.1
118.04212	3.3
119.08579	67.1
121.10135	25.6
123.08091	18.1
123.11682	13.4
125.09541	2.5
129.07024	5.9
131.08589	9.7
133.02940	3.4
133.06505	26.3
133.10130	68.1
135.10689	4.1
135.11697	58.4
137.09618	31.8
143.06010	2.4
145.10159	2.5
146.97418	2.4
147.08054	3.9
147.11682	21.3
149.09628	3.9
149.13274	9.4
151.11206	7.4
151.14804	8.4
157.10133	4.8
160.85942	2.2
161.05994	27.4
165.12704	2.8
165.16367	3.9
175.07603	3.7
175.11200	7.3
175.14844	62.9
178.02637	5.8
180.35358	2.2
193.04921	15.7
193.08685	11.7
193.10381	2.7
193.12259	12.8
193.15904	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03937	2.4
55.01856	2.8
55.05259	1.8
55.05512	23.9
57.07079	6.0
59.04990	3.0
65.03934	2.1
67.05505	31.1
69.03432	8.0
69.06717	1.6
69.07069	23.4
71.04998	7.1
71.11874	2.2
77.03892	1.1
79.05494	19.7
80.01147	1.2
81.03419	25.9
81.07060	46.7
82.85470	1.1
83.04982	12.2
83.08624	15.4
85.06545	8.1
91.05487	19.7
91.06708	1.2
91.38322	1.1
93.06469	2.6
93.07048	43.6
94.04250	1.4
95.04974	18.6
95.08607	58.1
97.06530	9.3
97.10162	5.1
99.08101	4.5
103.05431	2.2
105.03349	1.8
105.07035	35.8
107.04967	2.6
107.08598	46.6
109.06519	33.3
109.10162	38.4
111.08076	10.0
117.06991	2.0
119.08586	66.7
121.10161	17.1
122.03632	3.5
123.08076	25.3
123.10905	2.2
123.11718	20.3
125.09612	2.9
129.07001	2.8
131.08563	2.9
133.02861	28.1
133.06483	4.8
133.10132	42.9
135.11693	56.2
137.05975	8.1
137.09624	27.6
145.10112	2.4
147.08032	1.5
147.11681	12.6
149.05946	2.8
149.09656	1.8
149.13266	22.4
150.03120	5.0
151.11212	9.6
151.14821	4.6
156.77931	1.3
160.12550	1.4
161.06007	3.7
165.05486	4.1
165.12801	1.4
165.16296	1.5
175.11176	2.0
175.14830	61.9
178.02608	17.5
193.04970	74.6
193.12204	4.2
193.15886	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	193.159
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05510	16.5
57.03429	2.7
57.07065	4.5
67.05505	21.9
69.03423	9.0
69.07076	20.9
69.50181	15.8
69.50578	3.6
71.04986	9.9
79.05499	18.4
81.03418	13.5
81.07069	48.9
83.04994	12.3
83.08620	11.6
85.06523	5.5
91.05502	14.9
93.07052	35.1
95.04968	15.6
95.08612	60.1
97.06506	7.4
97.07055	2.1
97.10151	4.4
99.08080	5.2
105.07033	34.5
107.08601	41.4
109.06525	26.0
109.10169	39.5
111.08060	11.2
119.08582	59.2
121.10127	15.0
123.08078	22.6
123.11723	18.9
133.02843	3.6
133.06525	5.8
133.10146	50.7
135.11708	51.2
137.09616	29.4
146.10815	2.3
147.08110	2.9
147.11714	12.8
149.13266	17.9
151.11217	11.6
151.14769	4.0
152.42162	2.4
161.06026	3.7
175.14847	62.8
180.95294	2.9
193.04974	5.0
193.08701	3.3
193.12291	4.3
193.15897	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.11691	0.8
53.03950	6.4
53.61035	0.9
53.88150	0.9
55.01873	5.8
55.05516	21.9
56.96553	1.3
57.03425	3.9
57.07058	2.4
65.03949	4.7
67.05508	48.9
69.03426	4.7
69.07069	12.3
71.04996	7.7
71.58408	1.9
76.93245	0.9
77.03943	1.0
79.05497	43.6
81.03422	100.0
81.07059	34.6
83.04983	14.4
83.08625	14.1
85.06551	5.4
91.05486	61.6
91.05935	0.7
91.06082	1.3
93.06470	2.2
93.07051	44.7
94.06572	1.4
95.04972	47.1
95.08607	17.9
97.02892	2.0
97.06541	7.7
97.10152	2.0
99.08111	9.6
103.05444	4.0
105.04507	1.8
105.07037	50.0
107.04964	9.9
107.08594	21.7
109.02839	1.0
109.06527	10.4
109.09450	1.8
109.10158	26.1
111.04411	2.2
111.08062	4.3
113.05977	1.7
115.05434	6.1
117.07014	4.4
118.04142	1.4
119.04971	2.2
119.08585	35.9
121.06491	3.8
121.10155	10.9
123.04454	1.0
123.08083	9.2
123.11714	5.6
128.06201	2.4
129.06137	1.4
129.07018	15.1
131.08560	20.2
133.02876	5.3
133.06517	14.8
133.10138	82.8
135.08054	3.5
135.11700	22.8
137.05965	1.9
137.09622	14.6
142.07768	4.2
143.04976	1.2
145.10182	1.8
147.04453	1.2
147.08090	7.1
147.11691	28.4
149.09636	15.4
149.13255	3.3
151.03854	1.3
151.07454	1.0
151.11153	5.3
151.14799	3.2
152.71426	1.1
157.10138	19.0
161.05971	10.0
165.05490	1.6
165.09099	1.4
165.12761	1.4
175.09737	2.0
175.11191	28.9
175.14815	14.2
178.02612	2.4
193.04988	15.9
193.08588	3.9
193.12245	29.5
193.15892	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03950	4.7
55.01880	2.8
55.05258	0.6
55.05515	10.3
57.03429	2.1
57.07077	1.4
59.04998	0.5
65.03944	2.4
67.05509	27.2
69.03434	4.0
69.07070	3.4
71.01350	0.5
71.05000	2.4
71.58299	0.8
77.03939	0.9
79.05495	19.0
79.89852	0.4
81.03421	100.0
81.07059	15.1
82.03739	0.4
83.04989	5.8
83.08621	11.1
85.06541	2.2
91.05488	19.2
93.07051	10.8
94.06349	0.4
95.04974	40.3
95.08611	7.8
97.02900	2.3
97.06538	1.5
97.10197	1.5
99.08110	5.1
103.05476	1.7
105.07037	19.3
107.04960	7.3
107.08601	8.5
109.06504	3.5
109.10157	10.1
111.04459	1.8
111.08096	2.7
115.05457	2.2
117.07030	1.6
118.04105	0.5
119.04961	1.2
119.08582	13.4
121.06527	2.2
121.10139	6.0
123.04443	0.8
123.08087	2.9
123.11713	2.2
125.09666	0.8
128.06218	0.6
129.07001	7.5
131.08571	6.7
133.02885	1.4
133.06519	8.0
133.10135	12.3
135.08076	1.3
135.11699	8.3
137.06036	1.0
137.09625	4.9
142.07785	2.9
145.10156	1.0
147.08063	3.4
147.11716	4.4
149.09622	3.1
149.13290	1.5
151.11243	1.4
151.14783	0.6
157.10132	5.7
161.06003	3.2
165.05600	0.5
165.12814	1.2
173.82626	0.5
175.11227	5.0
175.14822	5.8
178.02664	1.2
193.05000	5.1
193.08598	2.7
193.12268	11.1
193.15912	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	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02381	0.6
53.03950	4.7
55.01880	2.8
55.05258	0.6
55.05515	10.3
57.03429	2.1
57.07077	1.4
59.04998	0.5
65.03944	2.4
67.05509	27.2
69.03434	4.0
69.07070	3.4
71.01350	0.5
71.05000	2.4
71.58299	0.8
77.03939	0.9
79.05495	19.0
79.89852	0.4
81.03421	100.0
81.07059	15.1
82.03739	0.4
83.04989	5.8
83.08621	11.1
85.06541	2.2
91.05488	19.2
93.07051	10.8
94.06349	0.4
95.04974	40.3
95.08611	7.8
97.02900	2.3
97.06538	1.5
97.10197	1.5
99.08110	5.1
103.05476	1.7
105.07037	19.3
107.04960	7.3
107.08601	8.5
109.06504	3.5
109.10157	10.1
111.04459	1.8
111.08096	2.7
115.05457	2.2
117.07030	1.6
118.04105	0.5
119.04961	1.2
119.08582	13.4
121.06527	2.2
121.10139	6.0
123.04443	0.8
123.08087	2.9
123.11713	2.2
125.09666	0.8
128.06218	0.6
129.07001	7.5
131.08571	6.7
133.02885	1.4
133.06519	8.0
133.10135	12.3
135.08076	1.3
135.11699	8.3
137.06036	1.0
137.09625	4.9
142.07785	2.9
145.10156	1.0
147.08063	3.4
147.11716	4.4
149.09622	3.1
149.13290	1.5
151.11243	1.4
151.14783	0.6
157.10132	5.7
161.06003	3.2
165.05600	0.5
165.12814	1.2
173.82626	0.5
175.11227	5.0
175.14822	5.8
178.02664	1.2
193.05000	5.1
193.08598	2.7
193.12268	11.1
193.15912	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	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03943	1.7
55.01877	4.2
55.05521	4.2
56.96564	1.5
57.03434	1.3
59.04993	0.7
63.02351	0.5
65.03957	1.1
66.04716	0.5
67.01868	2.0
67.05509	6.8
68.99804	1.4
69.03439	1.7
69.07063	3.1
69.41575	0.6
71.04998	1.3
77.03924	1.2
79.05496	15.1
81.03419	3.6
81.07059	8.5
83.04992	3.1
83.08628	1.1
85.02909	2.0
85.06536	1.5
89.67221	0.5
90.04729	1.1
91.05487	15.8
93.07043	7.0
95.04975	5.4
95.08610	8.1
97.02914	0.7
97.06573	0.8
98.97580	1.2
99.08103	2.6
103.05475	13.6
103.17056	0.6
104.06254	1.3
105.03423	1.2
105.07034	100.0
106.07361	1.4
107.04960	1.4
107.08606	8.0
109.06541	3.5
109.09430	1.0
109.10162	11.6
111.08089	1.2
115.05457	17.9
117.07043	1.4
118.04166	10.4
119.04974	0.9
119.08582	14.2
120.09022	0.6
121.06493	0.9
121.10146	2.8
122.03631	1.1
123.04442	0.6
123.08066	2.0
123.11710	2.1
125.05995	1.0
127.03952	0.9
128.98560	0.8
129.07007	1.3
131.04892	3.2
131.08585	4.1
132.05737	1.8
133.02916	3.0
133.06496	78.5
133.10129	35.2
134.06834	1.3
134.10437	0.5
135.08084	1.4
135.11673	5.7
137.05980	1.9
137.09630	3.7
143.04927	1.3
143.06042	6.9
145.10156	0.6
147.04420	2.3
147.06409	1.4
147.08051	1.6
147.11702	6.9
149.02377	0.6
149.05960	1.1
149.09618	1.2
149.13297	1.8
151.03877	1.9
151.07530	0.9
151.11194	1.6
153.01822	2.2
160.05286	0.7
161.05986	79.6
162.06393	1.2
163.14854	0.8
165.05475	1.0
165.09154	1.1
169.04997	1.0
175.03944	0.8
175.07497	0.7
175.11285	2.9
175.14880	10.8
178.02591	2.1
178.06271	0.8
182.06989	0.7
193.04973	80.2
193.08592	15.0
193.12195	6.6
193.15955	8.0
194.05313	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	193.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.03466	0.8
54.75785	0.3
55.01863	1.0
55.05499	1.2
56.96573	3.6
57.03416	0.7
60.95859	0.4
65.03936	0.7
67.05494	1.5
68.05023	4.6
69.03423	1.7
69.07060	0.7
70.06591	2.6
71.30093	0.8
73.02928	0.5
79.02978	7.5
79.05511	2.2
79.05889	0.4
80.05001	0.7
81.03410	1.1
81.04543	16.6
81.07071	1.9
83.01326	0.5
83.04967	1.0
83.08605	1.1
84.08148	0.7
85.02892	0.9
85.06493	0.4
86.09693	0.5
87.04480	0.4
91.02959	0.7
91.05463	2.9
93.07026	1.5
95.04952	1.5
95.08588	1.0
96.04487	0.8
97.02888	1.4
97.06525	0.7
98.97587	4.0
103.05468	1.1
104.43374	0.5
105.07034	7.9
107.02436	2.8
107.04970	0.6
107.08598	1.4
109.02898	0.9
109.06512	1.4
109.10123	0.9
110.97562	0.5
111.08025	0.5
115.05462	1.1
116.98603	1.8
118.04159	0.9
118.06573	0.4
119.01807	0.9
119.04929	0.6
119.08591	2.3
120.05581	3.0
121.02867	0.4
121.06499	0.5
121.10115	0.4
122.06430	0.5
122.07170	6.6
123.08082	1.0
124.08720	1.2
128.02327	0.9
128.98579	0.8
129.07016	0.6
131.04927	0.8
133.02831	2.0
133.06488	5.0
133.10115	1.4
134.99719	0.5
135.08029	0.5
135.11670	1.0
136.06197	0.7
136.07602	0.8
137.05974	1.7
137.09610	1.0
139.61317	0.4
140.08197	11.7
141.33739	0.4
145.01701	0.4
146.99615	0.4
147.04381	1.2
147.08044	0.4
147.11697	0.8
148.05063	4.4
150.03061	0.7
150.06602	1.5
151.07480	0.8
151.11151	0.7
158.99648	1.0
161.04720	0.7
161.05934	4.0
162.06737	0.8
165.05554	0.5
165.07678	0.9
165.09131	1.1
166.06128	41.6
168.07698	1.9
175.03882	0.8
175.06177	1.1
175.07570	0.9
175.14832	1.4
177.00694	0.9
178.01019	0.5
178.02621	1.6
182.05136	0.4
193.05052	6.5
193.07205	100.0
193.15891	1.8
194.05640	14.5
194.07338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41459	1.5
55.05517	15.2
55.90582	1.3
56.05027	2.7
56.96569	11.4
57.03181	2.1
57.03439	27.3
58.02961	2.9
59.04991	1.7
60.64294	1.1
61.02896	1.4
67.05486	1.5
69.03423	5.7
69.06371	1.2
69.07063	1.9
70.06600	11.3
70.18991	5.7
71.04974	3.4
71.07355	2.7
72.04529	2.3
72.08150	4.6
73.02908	1.3
81.03402	2.0
83.04987	62.1
84.07688	2.2
84.08152	31.3
85.02908	3.4
85.06557	3.4
85.08932	3.3
86.09704	4.4
87.04464	3.7
88.07638	6.5
93.03436	1.8
96.08142	17.8
98.09707	9.9
98.97607	8.8
101.06028	50.3
102.05538	3.7
102.09198	11.5
110.97598	1.4
111.04441	3.7
112.99179	2.1
114.09179	84.2
115.07588	2.7
116.98632	2.6
124.07635	2.8
127.46044	1.2
128.10728	30.7
128.98572	1.8
129.05475	10.3
141.03085	1.2
142.08659	5.8
143.00107	1.7
143.07014	3.1
146.11758	6.8
156.10196	3.9
160.09714	41.8
161.01219	1.5
168.98033	1.9
174.11273	42.4
186.99136	2.0
187.02766	1.9
192.12320	100.0
193.12813	1.2
205.42519	1.3
213.05342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.9
55.01875	2.1
55.02116	0.3
55.05489	0.2
63.96943	0.2
65.03965	0.8
68.99787	1.5
69.54199	1.6
77.03937	0.4
79.05489	1.9
81.07060	1.0
89.78523	0.2
91.05482	4.1
91.06004	0.4
93.03407	2.3
93.07047	6.4
93.07622	0.4
95.04955	1.0
103.04788	0.4
103.05471	6.9
103.06122	0.3
105.04503	0.3
105.07045	0.3
106.04172	1.8
107.04955	2.2
109.06538	0.3
115.05555	0.2
119.04982	0.8
119.64870	0.2
121.06511	25.6
131.04956	1.9
134.03645	1.1
135.02156	0.2
135.04430	0.3
147.04411	8.1
148.04715	4.3
148.08223	0.4
149.05991	14.6
157.08905	0.2
159.04443	0.3
159.05556	1.6
161.05988	4.1
162.03094	0.6
163.03494	0.2
164.08339	1.0
175.03995	0.6
176.04692	3.9
177.05469	57.9
178.05812	0.7
191.07033	100.0
192.07768	48.8
193.08081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01872	2.7
55.05497	1.2
56.96555	1.1
59.17920	0.4
62.22161	0.4
64.32845	0.4
65.03931	0.7
67.05502	0.9
68.99786	1.4
69.07065	0.5
70.00969	1.4
79.05499	2.3
81.03410	0.7
81.07047	1.6
81.48460	0.4
82.07337	0.6
83.04971	1.2
84.08131	1.0
91.05488	5.4
92.05797	0.5
93.03394	2.6
93.07055	5.9
94.06551	0.7
95.04982	1.4
96.08948	0.5
97.06548	0.5
101.06007	0.5
103.05481	5.9
105.07014	1.7
106.04182	2.1
106.07343	0.8
107.04974	2.8
107.08601	0.8
109.06541	0.6
110.10519	0.7
111.04446	1.4
114.09166	1.3
118.06544	0.7
119.04947	1.3
119.08558	0.9
121.06509	21.2
121.23449	0.4
122.10481	0.4
124.11992	0.5
131.04936	2.3
131.07339	0.5
132.05722	0.8
132.08910	0.6
133.06503	0.6
134.03647	0.8
134.10464	1.0
146.05974	0.6
147.04407	7.6
148.04742	2.1
149.05992	12.3
149.09570	0.6
149.63205	0.4
150.13483	0.5
159.05544	1.1
160.05028	1.0
160.09700	1.2
161.06021	5.0
162.03145	0.7
164.06973	0.8
164.08299	0.8
165.05519	0.5
174.13641	0.5
175.03900	1.0
176.04665	3.9
177.05472	54.3
178.05861	0.7
191.07033	100.0
192.07806	44.6
192.10490	0.7
192.12315	0.9
192.13760	0.9
192.17389	2.4
193.04971	1.9
193.08458	0.6
205.00090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.2
55.01878	2.5
63.63257	0.2
65.03960	0.6
68.99796	1.7
71.18291	0.2
72.56952	0.2
77.03954	0.4
79.05486	2.0
81.07063	1.5
81.60107	0.3
91.05489	3.7
93.03409	2.1
93.07047	4.9
95.04990	0.8
98.21497	0.7
103.05470	6.0
103.06117	0.4
106.04188	1.3
107.04946	2.2
118.04205	0.3
119.04996	0.5
121.06514	20.2
127.02904	0.2
130.04192	0.4
131.04968	2.1
131.35306	0.3
133.06499	0.6
134.03615	1.4
135.04427	0.3
145.02861	0.3
147.04420	8.1
148.04718	2.3
149.05994	12.5
159.04416	0.3
159.05586	1.2
161.05983	4.6
162.03136	0.7
164.08321	1.1
175.03944	0.7
176.04692	4.3
177.05478	51.3
178.05786	0.5
191.07039	100.0
192.07794	43.6
192.09357	0.3
192.11496	0.5
192.17439	0.4
193.08374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94059	0.5
51.02374	0.5
51.94324	0.4
53.03942	1.3
55.01885	3.2
55.05494	0.7
56.96557	1.3
58.49774	0.7
59.94036	0.5
59.94364	0.5
65.03929	0.8
67.05486	0.8
68.99782	1.8
71.18502	0.8
71.18821	0.7
77.43015	0.5
79.05490	3.5
81.03409	1.5
81.07057	2.1
83.04968	1.9
83.08573	0.6
84.08144	0.8
84.37202	0.5
88.07644	0.6
91.05482	5.6
93.03404	2.3
93.07054	6.1
95.04978	2.0
95.08595	0.9
96.43163	0.5
101.05996	0.8
101.86600	0.6
103.05002	0.5
103.05490	6.1
105.07030	1.9
106.04177	1.9
106.07370	0.5
107.04929	1.7
108.08920	1.2
111.04427	0.6
114.09141	1.7
119.04993	0.8
119.08620	0.8
121.06519	19.5
122.10474	1.0
129.07037	1.0
131.04895	1.6
133.06471	0.6
133.10118	1.7
134.03636	1.2
134.10451	1.0
135.08067	1.0
140.60205	0.7
147.04419	8.7
148.04720	3.4
149.06000	12.7
159.05545	1.3
160.05086	1.1
160.09686	0.8
161.05994	5.2
162.03131	1.0
164.08273	1.0
175.03944	1.0
176.04657	3.8
177.05478	53.6
178.05792	0.6
191.07040	100.0
192.07805	44.9
192.10408	1.3
192.12315	1.2
192.14725	1.4
192.17526	1.8
193.04997	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	192.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08870	1.2
53.03940	5.0
55.01863	4.5
55.05267	1.7
55.05514	28.5
56.05024	3.1
56.96569	100.0
57.03185	2.1
57.03441	23.7
58.02961	1.7
58.06598	1.6
59.04986	2.6
60.95878	2.3
61.02930	6.7
62.05820	1.6
62.06093	16.0
65.03939	2.3
67.05505	4.1
69.03439	21.3
69.07068	2.0
70.06594	6.8
70.21696	5.3
70.98123	2.6
71.01361	3.7
71.04996	10.4
71.95258	4.5
72.04505	1.7
72.08150	4.7
72.41402	1.2
72.93783	2.8
73.02920	14.6
73.06562	19.4
74.97617	3.9
75.01041	1.5
75.04459	1.9
79.05490	1.9
81.03428	9.5
82.06571	4.6
83.00776	1.8
83.02613	2.3
83.04986	26.0
84.01561	2.1
84.04516	1.7
84.08149	14.7
84.96057	5.9
85.02911	22.3
85.06551	12.0
86.03207	1.5
86.03699	2.7
86.09706	1.8
86.97568	1.2
87.04470	5.8
88.07641	1.8
89.06043	1.4
90.01567	3.2
90.94842	1.3
91.05482	3.4
93.02069	1.6
93.03392	1.2
94.06560	1.9
95.04983	2.4
96.01549	3.2
96.08114	5.5
97.02892	20.2
97.96802	4.3
98.03262	1.2
98.09703	4.7
98.97594	81.8
99.02061	1.5
99.04446	8.2
99.97917	4.3
100.07599	2.1
100.97179	1.7
100.99152	3.9
101.00771	2.8
101.06034	21.9
102.01530	2.0
102.03374	1.7
102.05547	2.2
102.09185	5.4
102.96882	4.3
104.03111	4.3
104.25233	1.1
104.51381	1.4
104.98429	1.8
105.00190	1.7
105.02068	3.1
105.07060	1.6
108.01517	2.2
109.02254	2.6
109.02883	4.8
110.01295	5.0
110.03116	1.7
110.06036	2.7
110.09689	2.8
110.97569	15.6
111.02090	2.0
111.03802	1.3
111.04453	4.8
112.00969	1.5
112.07591	4.3
112.99126	8.2
113.03680	1.8
113.05972	1.6
114.05518	1.8
114.09177	27.7
115.02259	1.8
115.03939	1.5
115.07568	1.9
115.97810	1.8
116.98627	28.3
117.02064	4.7
117.03858	2.3
118.02824	4.4
119.00121	1.6
119.01825	7.4
119.04975	2.8
119.51904	1.3
120.02652	1.4
120.04406	1.8
120.97900	2.3
121.01582	1.6
122.01257	1.4
123.01221	1.7
123.02059	1.6
123.04480	6.9
124.02843	2.2
124.07600	2.9
124.99126	4.5
125.02537	1.4
125.03560	2.9
125.05971	2.0
126.02564	5.7
127.00680	1.7
127.03906	5.0
128.02362	6.0
128.07088	2.3
128.10715	11.5
128.98605	12.3
129.02225	4.8
129.05473	3.9
130.08585	1.9
130.52650	1.6
130.93314	1.2
131.00171	12.9
131.07060	4.6
132.00504	2.8
132.02594	2.1
132.04462	1.7
132.08104	1.7
132.95836	6.5
132.98039	1.3
134.02286	1.7
134.99626	5.7
135.03099	1.4
135.04388	1.5
136.07587	2.3
137.05998	6.7
140.02304	2.5
140.07051	3.4
140.98572	2.0
142.08632	3.4
142.12296	9.8
143.00186	7.1
143.07024	1.9
144.98093	3.5
145.01741	3.1
146.04138	7.7
146.05994	3.2
146.08102	2.9
146.09668	1.3
146.11755	3.7
146.99658	7.0
147.03268	14.8
147.04460	3.4
148.03780	1.7
149.01228	17.3
149.96112	1.5
150.01570	9.0
150.09186	3.3
150.96971	10.8
151.00716	1.8
152.98634	1.8
155.04663	84.8
155.54826	8.1
156.03500	2.4
156.06505	2.0
156.10243	3.0
158.99664	26.7
159.03125	1.8
160.09703	17.1
161.01323	5.9
162.99115	1.8
163.02798	1.7
164.02304	2.8
164.05208	21.0
164.07179	1.4
164.55351	3.8
165.00742	1.3
165.04330	8.0
166.01825	1.2
166.55475	3.2
167.02319	4.1
167.97095	1.3
168.98105	16.9
169.01776	3.8
170.99702	3.1
171.04315	1.4
173.01273	3.6
173.02881	5.6
174.11263	22.7
175.02748	1.7
177.00717	15.1
178.00970	2.2
180.04630	1.5
184.02809	1.3
186.99144	17.0
187.02769	8.5
187.33974	1.2
189.00751	2.4
189.04350	1.8
191.02310	3.7
192.02704	2.3
192.04889	2.1
192.06557	4.6
192.10304	5.5
192.12318	48.5
192.16023	1.6
192.17487	1.8
193.03429	2.5
197.01299	2.0
199.02737	1.4
200.02216	2.0
201.00714	2.4
201.04387	1.8
205.00215	4.2
205.03851	2.3
207.01627	1.7
207.05344	2.5
211.00981	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03948	1.6
55.05511	10.8
55.29271	0.5
56.96572	2.0
57.07072	3.4
65.03938	1.1
67.05226	0.3
67.05505	12.8
69.03429	1.3
69.07068	17.1
69.07453	0.8
71.04962	0.4
71.07088	0.5
71.08641	1.0
77.03931	0.8
79.05495	24.5
81.03438	0.5
81.07059	100.0
82.07413	1.0
83.04998	0.7
83.08620	6.8
91.05479	7.5
93.07046	31.6
94.07354	0.5
95.04974	1.5
95.08608	36.5
96.08910	0.5
97.10171	5.7
103.05474	1.4
105.07021	6.1
107.04957	1.3
107.08597	48.9
109.06524	1.9
109.10159	31.4
111.11736	1.3
115.05454	1.0
117.07014	1.9
119.08575	3.1
121.06529	2.7
121.10144	23.2
123.08062	0.9
123.11706	4.5
129.06961	0.5
131.04916	0.5
131.08588	4.2
133.10150	4.6
133.24060	0.4
135.08095	4.0
135.11696	52.9
136.11998	0.7
143.08559	0.7
145.06485	1.4
145.10106	3.3
147.04422	9.4
147.11688	1.9
148.05159	0.7
148.59109	0.4
149.06004	1.5
149.09615	1.2
149.13252	7.3
156.08037	1.1
158.10884	1.0
158.58301	0.6
161.02197	0.5
161.09651	0.5
162.03116	0.8
163.07526	0.9
163.11169	0.5
163.14821	1.4
165.08551	0.5
167.58786	0.5
173.05922	0.5
173.09569	0.7
173.13246	3.3
175.03928	0.9
176.04692	3.5
177.05490	2.4
191.03362	1.0
191.07027	26.6
191.10640	3.4
191.14317	10.1
191.17950	26.0
192.07849	2.7
192.14696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.52720	1.0
53.03944	2.5
55.05266	1.5
55.05515	25.2
56.96570	25.3
57.07085	9.9
59.31856	1.0
65.03935	1.2
67.05167	1.5
67.05507	20.9
69.03448	2.0
69.07075	41.1
69.07452	2.0
69.65331	2.2
69.65733	5.0
74.97613	1.6
79.05502	24.1
80.05817	1.2
81.07063	44.4
82.07373	1.0
83.04994	1.7
83.08622	20.8
84.64902	1.1
89.09584	1.0
91.03118	0.9
91.05486	17.9
92.98646	1.4
93.02804	1.0
93.07050	67.7
95.04973	2.8
95.08613	75.7
97.10175	16.2
97.99174	2.5
100.01814	1.2
105.02817	5.4
105.04533	1.4
105.07034	14.0
107.02540	2.0
107.04965	1.2
107.08604	100.0
108.08901	2.4
109.02339	1.1
109.06538	1.9
109.10165	59.6
110.44880	1.0
111.11739	2.2
113.04379	1.5
114.03357	5.6
115.00722	2.6
116.00249	1.5
116.03123	1.5
116.53667	1.5
117.07019	4.4
119.04361	3.7
119.08602	7.7
121.04132	2.0
121.06485	3.4
121.10151	78.3
123.08089	1.5
123.11724	7.5
125.05308	1.6
125.54119	2.1
128.04936	6.8
130.55141	1.7
131.08578	6.8
132.06920	1.2
132.54887	2.1
133.10127	8.5
134.54678	1.4
135.04385	1.3
135.05695	2.4
135.08115	5.5
135.11703	79.9
136.12016	1.0
137.05409	3.3
138.06984	4.2
139.55696	3.2
141.55386	1.4
145.06485	1.3
145.09134	1.2
145.10161	7.1
147.04364	5.2
147.07458	17.9
147.11658	3.3
147.57637	1.9
148.05190	1.1
148.08798	3.3
149.09604	3.0
149.12193	1.3
149.13277	16.5
149.57727	2.0
156.08049	10.7
156.58144	2.6
158.58281	3.4
159.11673	1.6
163.11240	5.3
163.14832	1.8
165.02312	1.4
167.58749	7.6
168.08945	2.1
169.05400	2.4
173.09680	1.6
173.13260	5.3
175.11273	1.5
176.04657	2.4
176.11952	1.4
179.09610	1.4
187.06412	4.3
191.03456	2.2
191.07042	13.8
191.10666	3.6
191.14333	39.8
191.17958	58.7
192.14409	1.3
201.16397	1.8
211.06584	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03938	2.6
55.05519	31.2
57.07074	9.9
65.03945	2.8
67.05511	34.2
69.03457	1.7
69.06718	3.0
69.07074	43.4
79.05499	26.2
81.07064	46.3
83.08620	23.6
91.05489	12.9
91.60305	1.5
93.07050	83.0
95.04979	2.9
95.08614	87.7
96.01189	1.8
97.10175	19.1
98.27269	1.8
105.07046	14.5
107.04985	3.1
107.08603	95.1
109.06532	3.6
109.10167	92.5
110.10505	1.6
111.11732	1.7
119.08578	5.8
121.06546	8.7
121.10152	100.0
123.08041	3.5
123.11711	11.5
128.02744	1.5
129.07079	2.0
131.08571	5.7
133.10146	9.5
135.04401	4.6
135.08047	5.2
135.11707	99.5
145.10086	2.6
147.04420	3.8
147.08116	1.7
147.11716	3.1
148.12459	1.9
149.09628	5.3
149.13274	24.9
158.10913	2.0
163.03891	5.2
163.11116	1.7
163.14850	4.3
173.07098	1.9
173.13280	4.8
176.12029	2.8
191.03352	8.0
191.07036	9.9
191.10706	2.9
191.14316	30.6
191.17961	98.7
199.88022	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.02374	1.1
53.03936	3.6
55.01872	2.5
55.05515	27.5
56.96571	58.9
57.07082	9.5
62.06189	1.3
65.03930	2.7
67.05508	26.9
69.03422	5.5
69.07072	52.9
71.04985	2.9
71.58233	1.7
71.95262	4.8
79.05496	30.9
81.07059	50.3
83.04979	4.0
83.08625	19.4
85.06516	1.9
88.01736	1.5
88.38248	1.3
91.05487	30.6
91.97844	1.2
92.98602	1.3
93.07052	78.2
95.02594	2.7
95.04961	5.2
95.08612	72.1
97.06534	4.3
97.10182	15.1
97.99185	6.9
98.97583	2.2
99.28906	1.3
100.02435	1.7
103.05453	4.2
105.03423	1.5
105.04560	1.6
105.07030	32.2
106.03595	1.6
107.02591	1.4
107.04963	3.9
107.08604	100.0
108.03403	1.6
109.06532	8.4
109.07139	1.2
109.10165	68.4
111.00809	1.8
111.04508	2.2
112.03605	7.1
114.03333	3.3
115.04141	2.7
115.05441	2.9
116.00225	3.8
116.06210	1.7
117.07001	7.7
118.03558	2.1
118.06458	1.8
118.53387	1.7
119.04408	4.0
119.06129	1.5
119.08592	18.3
121.04156	1.8
121.06526	13.8
121.10152	80.2
123.08042	3.5
123.11720	14.8
125.04373	11.9
126.05157	6.0
128.04904	5.8
129.02231	1.9
129.06985	4.8
130.04140	1.5
130.07829	2.3
130.55141	1.5
131.04895	1.6
131.08577	25.2
133.06625	1.7
133.10138	20.0
134.04942	8.6
135.04379	1.8
135.05682	4.7
135.08081	17.7
135.11703	92.4
136.12079	2.1
137.05313	1.5
137.06247	2.3
137.09648	1.5
138.06956	10.8
138.57135	2.6
139.07716	2.6
142.06436	1.5
143.08568	5.1
145.03510	1.6
145.06474	3.2
145.10130	20.3
146.06738	28.8
146.56866	3.1
147.04369	8.4
147.07483	76.4
147.11668	9.1
147.57649	11.0
148.05139	2.0
148.08292	5.2
149.06004	2.0
149.09599	8.8
149.13266	22.7
149.57768	6.5
155.07256	30.3
155.08525	1.5
155.57393	3.5
156.08034	74.7
156.58221	14.0
157.08751	4.9
157.10020	2.0
157.57494	6.9
158.07590	1.5
158.10973	4.1
158.58289	26.8
159.08466	6.1
159.11685	5.2
161.09631	2.4
163.07552	3.4
163.11194	3.6
163.14815	5.2
164.04601	1.7
165.08598	9.8
167.58842	28.1
168.08975	4.8
168.59584	1.8
170.09053	6.7
171.11719	1.8
173.09599	6.8
173.13277	18.9
174.05510	1.8
176.04713	5.6
176.12015	2.2
176.59320	4.4
179.09705	2.5
183.03278	2.1
191.03412	3.4
191.07016	31.9
191.08736	2.3
191.10667	17.4
191.14316	62.6
191.17963	67.5
192.07970	1.6
201.16359	3.3
205.05307	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	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.44893	1.4
53.03937	3.2
53.20026	1.3
55.01864	2.5
55.05271	1.6
55.05516	30.4
56.96578	10.2
57.07080	8.7
59.05019	1.9
65.03925	1.4
67.05514	24.7
69.03419	3.7
69.06728	3.1
69.07075	42.4
70.11139	4.0
70.11531	3.0
70.57667	1.4
71.04974	1.5
79.05499	31.1
81.07062	43.8
83.05000	4.3
83.08628	18.5
91.05489	22.3
93.07055	76.7
95.04963	5.5
95.08616	65.3
95.09235	2.5
97.06555	2.0
97.10185	16.3
98.21400	1.8
100.02429	1.7
103.05453	4.1
103.53727	1.4
105.07046	23.7
107.02602	1.8
107.04927	5.0
107.08603	100.0
109.06502	5.4
109.10166	59.2
110.16290	1.6
111.11706	2.4
114.03352	4.1
115.05471	2.9
116.03079	1.6
117.07025	5.9
118.53318	1.6
119.08588	12.8
121.06493	6.6
121.10153	82.2
123.03950	2.4
123.08067	2.7
123.11729	12.8
129.07024	2.0
131.04956	2.1
131.08566	12.7
133.10144	13.2
135.04443	1.6
135.08067	12.9
135.11711	84.8
136.11984	2.1
138.07010	1.7
139.55676	2.1
143.08557	3.0
145.03421	3.4
145.06537	2.0
145.10138	10.5
147.04428	10.1
147.07469	6.5
147.11684	4.4
148.05190	2.9
149.01241	1.8
149.05965	2.5
149.09619	6.4
149.13269	21.6
156.08037	7.4
158.10944	3.1
158.58330	3.2
161.09575	1.9
163.07568	2.2
163.11206	2.9
163.14816	5.7
167.58853	3.0
173.09642	2.7
173.13281	14.4
176.04712	3.1
191.03334	3.5
191.07019	27.5
191.08601	2.2
191.10674	11.6
191.12622	2.9
191.14330	45.0
191.17957	64.9
192.07857	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.55175	1.5
55.05497	6.3
55.89790	1.8
57.03422	3.7
57.07064	1.9
59.04961	1.7
65.06972	1.5
66.57919	1.5
67.05502	9.5
69.03417	5.1
69.07066	12.1
70.91740	2.1
70.92067	3.7
71.04984	7.0
79.05483	11.2
81.07067	11.9
83.04977	3.7
83.08608	7.0
85.06525	4.6
91.05060	1.7
91.05495	19.8
93.07047	16.4
95.04950	7.9
95.08605	13.0
97.06504	6.6
103.05463	3.1
105.07037	48.0
107.04963	2.8
107.08601	32.3
109.06543	13.9
109.10171	27.0
111.08076	2.1
117.07028	4.2
119.08598	24.9
121.06499	6.0
121.10162	23.8
123.08072	8.8
123.11687	4.4
129.07011	3.7
130.07814	1.7
131.08572	46.4
133.10133	100.0
135.08070	26.2
135.11739	3.1
143.08588	8.5
144.09351	3.3
145.10123	21.3
147.11707	13.0
149.09659	12.5
149.12187	2.2
149.13266	24.0
150.10335	3.3
158.10915	16.7
158.12090	2.4
163.07547	2.6
163.11194	2.2
163.14806	3.7
171.11743	3.0
173.13277	55.5
175.59721	1.6
191.06931	3.3
191.14310	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38414	2.6
55.05513	14.4
57.03426	3.0
57.07075	3.5
67.05507	16.3
69.03432	12.2
69.07075	29.8
69.80333	10.4
71.04973	7.0
79.05499	19.2
81.07059	15.3
82.04608	2.4
83.04973	9.7
83.08623	41.7
85.06516	4.6
91.05032	2.9
91.05489	30.6
93.07050	24.8
95.04980	16.6
95.08601	19.4
97.06508	11.1
99.08124	2.8
105.07041	57.2
107.04961	3.1
107.08601	36.3
108.89446	3.1
109.06519	23.1
109.09450	3.4
109.10162	41.7
117.07049	13.5
119.08572	28.2
121.06506	8.3
121.10165	32.2
123.08053	9.5
123.11665	3.5
129.07005	5.7
130.07846	3.3
131.08577	72.3
132.09021	2.5
133.10136	100.0
135.08058	55.9
135.08907	1.8
135.11647	7.3
135.50920	2.9
143.08549	11.6
145.10120	28.8
147.08066	3.0
147.11702	18.5
149.09619	36.5
149.13263	20.7
158.10899	11.6
161.09579	3.6
163.11182	6.1
163.14897	5.3
173.09599	3.8
173.13286	62.9
184.44856	2.5
191.10713	12.2
191.14307	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41881	0.6
50.63760	0.6
53.03934	1.6
55.01868	1.7
55.05511	4.7
57.03427	0.8
57.07063	1.4
59.04998	0.8
67.05503	5.9
69.03437	14.0
69.06773	0.7
69.07076	8.7
70.73068	1.9
71.04974	2.3
79.05493	9.6
81.07056	6.1
83.04988	10.4
83.08611	2.4
85.06535	1.4
91.05486	14.2
93.07041	9.5
95.04944	2.5
95.08614	6.4
97.06522	2.5
103.05471	1.8
104.06259	0.9
105.07040	19.4
107.04945	3.8
107.08599	21.3
109.06519	5.9
109.10153	2.9
111.08076	2.3
115.05449	1.2
116.06263	1.5
117.07040	5.6
119.08584	21.3
121.06499	6.8
121.10145	16.4
123.08079	3.9
129.07024	4.1
130.07782	1.8
131.04936	2.0
131.08575	32.1
133.10136	14.8
135.04480	0.8
135.08061	18.5
135.11690	3.4
143.08546	3.9
144.09317	0.9
145.06480	1.3
145.09038	1.0
145.10143	14.6
147.08055	3.1
147.11705	9.0
149.05911	0.8
149.09630	23.1
149.13249	6.4
155.08536	1.0
158.10938	7.0
161.09612	3.8
163.07535	2.7
163.11208	1.8
163.14799	2.4
172.99797	0.7
173.09697	3.9
173.13264	20.8
174.13564	0.8
176.11969	1.9
180.27113	0.7
191.10722	12.7
191.14311	100.0
192.14680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03953	2.7
54.33212	2.0
55.05499	6.8
57.03424	3.8
57.07073	2.2
58.77507	1.6
67.05502	9.4
69.03432	15.2
69.07081	9.7
69.28797	10.2
69.29221	4.5
71.04994	8.0
79.05496	13.3
79.49963	1.5
80.18335	1.6
81.07056	12.9
83.04982	3.6
83.08621	3.9
85.06546	3.6
91.05486	14.8
93.07053	12.1
95.04970	6.2
95.08614	14.2
97.06516	4.7
103.05475	4.4
105.07045	30.7
107.04962	3.9
107.08604	42.1
109.06532	12.5
109.09467	1.8
109.10160	29.0
115.05428	2.1
117.07018	5.4
119.08603	12.5
121.06476	6.0
121.10152	35.3
123.08096	9.4
129.06973	3.1
131.04871	1.9
131.08586	31.5
133.10141	100.0
135.08063	30.4
135.11696	7.3
137.09625	10.2
143.08569	5.5
145.10135	12.3
147.11679	10.7
149.09607	8.7
149.13278	19.1
158.10904	11.3
161.23749	1.7
163.07654	1.8
163.11171	1.7
163.14821	5.6
173.06049	3.6
173.13274	37.2
191.07040	4.2
191.10651	3.2
191.14317	64.3
191.17926	2.6
202.91692	1.6
214.92703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03930	2.1
55.01859	3.0
55.05523	9.2
57.07074	2.6
59.04997	2.1
65.03928	2.4
67.05519	13.3
69.03424	5.3
69.07077	14.3
70.69444	5.3
71.04977	5.6
73.72622	1.8
79.05505	12.8
81.07063	14.2
83.04978	3.7
83.08629	9.5
85.06538	4.4
91.05484	20.9
93.07067	20.7
95.04984	9.2
95.08633	10.3
97.06543	9.9
103.05453	2.2
105.06382	3.2
105.07043	48.2
107.04932	2.2
107.08604	36.3
109.06536	22.9
109.10172	36.5
111.08087	2.2
111.92860	1.6
115.05400	2.1
116.06258	2.5
117.07027	7.2
119.08588	28.7
121.06487	5.2
121.10143	21.9
123.08084	8.7
123.11696	5.1
129.07008	4.0
131.08577	48.1
133.10146	100.0
135.07103	3.7
135.08072	45.6
135.11667	4.2
137.09723	2.2
143.08566	8.5
144.09360	3.0
145.10139	20.5
147.11697	14.7
149.09628	23.1
149.13239	18.1
158.10933	17.1
163.11212	3.0
163.14815	2.8
173.13275	61.7
176.11948	2.1
191.14314	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
53.03944	2.0
55.05517	7.8
57.03421	2.2
57.07086	1.5
67.05496	5.7
69.03078	1.5
69.03432	23.1
69.07069	15.9
70.10370	4.3
71.04984	4.9
79.05494	15.2
81.07052	14.9
83.05006	7.8
83.08613	3.0
85.06525	4.6
91.05481	19.3
93.07053	15.4
95.04955	3.1
95.08607	15.9
97.06561	6.8
103.05466	3.9
105.07033	43.4
107.04951	4.9
107.08598	29.9
109.06537	11.5
109.10167	4.1
111.08081	7.8
116.06223	2.0
117.07013	8.5
118.06486	1.9
119.08585	39.4
121.06529	9.5
121.10151	26.8
123.08070	9.3
129.06984	4.2
130.07791	1.5
131.08571	34.7
132.09319	1.8
133.10138	26.5
135.08063	27.3
135.11707	6.5
136.08807	2.0
143.08543	5.6
145.10118	20.8
146.06013	4.0
147.11699	15.3
148.08890	1.7
149.09630	53.6
149.13255	9.1
150.10396	2.1
156.09454	1.5
158.10890	8.5
161.09657	3.8
163.07571	1.6
163.11174	3.5
163.14771	4.1
173.07126	1.9
173.09612	2.2
173.13266	37.2
174.05487	2.2
176.11978	2.8
181.46997	1.5
191.08220	3.9
191.10704	7.5
191.14310	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.05587	1.0
53.03941	1.7
55.01866	2.4
55.05507	6.1
57.03425	2.0
57.07075	1.8
67.05511	8.4
69.03432	16.0
69.06730	1.5
69.07075	16.7
69.40410	2.0
69.40815	5.9
70.96616	1.0
71.04972	1.2
79.05496	11.7
81.07059	12.4
82.90652	1.2
82.91124	1.0
83.04985	7.7
83.08607	3.3
85.06536	2.8
86.09202	1.1
91.05489	13.2
91.78465	0.8
93.07055	14.1
95.04980	4.9
95.08608	16.8
97.06513	5.6
101.30640	0.9
103.05447	2.4
105.07033	23.4
107.04961	4.2
107.08606	34.3
109.06528	10.2
109.10170	10.5
115.05419	2.3
117.07023	3.8
119.08591	14.5
121.06520	10.6
121.10153	25.0
122.07267	1.8
123.08049	6.3
123.11707	1.7
124.15337	1.0
129.07008	2.5
130.07759	1.6
131.08575	23.0
133.10143	66.1
135.08055	20.3
135.11699	9.5
137.09616	4.6
143.08551	4.1
144.09343	3.0
145.10124	12.1
147.11691	18.2
149.09628	15.7
149.13268	16.0
149.14363	1.8
150.10422	3.1
158.10936	10.4
161.09587	3.8
163.07599	1.4
163.11188	4.5
163.14828	5.2
171.11674	1.3
173.09607	1.2
173.13278	44.1
176.04710	1.3
176.11940	2.5
182.14294	1.0
191.06831	1.2
191.10704	3.3
191.14319	100.0
192.14734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.05504	5.3
57.03430	3.0
57.07057	4.3
59.04986	2.7
65.03960	2.4
67.05509	12.0
69.03422	4.2
69.07062	8.6
69.19725	9.6
69.20149	5.6
71.04980	6.0
77.03947	1.7
79.05499	14.2
80.51031	1.6
81.07068	14.2
83.04965	3.6
83.08607	4.1
83.52081	1.3
85.06573	3.8
91.05476	24.6
93.07048	19.8
95.04959	6.5
95.08603	13.8
97.06516	6.1
99.44884	1.8
103.05467	7.2
105.07038	57.6
107.04992	3.5
107.08604	48.9
109.06529	12.6
109.10165	18.8
110.76472	1.4
111.08057	2.4
114.01011	1.4
115.05449	4.0
116.06197	2.2
117.07018	11.6
118.04253	2.0
119.08595	32.7
121.06492	6.6
121.10149	32.1
123.08075	12.2
123.11665	6.7
129.06995	6.2
130.04173	2.1
130.07770	2.5
130.11028	1.4
131.04929	3.3
131.08578	54.4
133.10136	100.0
135.08064	26.3
135.11685	4.6
143.08559	12.7
144.09351	2.7
145.10144	30.8
147.11703	15.2
148.05197	2.3
148.08842	1.7
149.09666	8.7
149.13266	26.8
155.01100	1.5
158.10931	20.6
161.13136	1.8
163.07536	2.4
163.11134	2.6
163.14832	5.9
164.06992	1.8
173.05994	2.3
173.13278	67.4
174.69844	1.6
176.04646	3.4
191.07042	5.3
191.10643	4.3
191.14319	66.7
191.16068	3.3
192.06519	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
54.01266	1.5
54.35316	1.4
55.01870	2.5
55.05507	4.2
56.96560	3.1
57.03426	2.3
67.05504	16.7
69.03442	8.2
69.07068	8.9
70.70222	4.1
71.04707	1.2
71.05005	15.2
78.04706	1.6
79.05500	14.4
81.03425	1.5
81.07061	12.9
83.04956	3.0
83.08607	4.3
83.53686	1.3
85.06542	7.7
87.37082	1.5
90.04691	2.6
91.04973	2.2
91.05491	28.8
92.06258	3.3
93.07051	21.2
95.04967	11.4
95.08619	14.2
97.06555	10.3
102.04697	2.2
103.05479	12.4
105.03384	2.6
105.04494	1.7
105.06384	2.5
105.07040	34.1
107.04938	3.6
107.08601	39.6
109.06526	20.6
109.09464	2.0
109.10167	34.0
111.08077	3.3
115.05465	1.4
115.56046	1.5
116.06315	1.4
116.33430	1.4
117.07018	5.1
118.04162	7.5
118.39572	1.6
119.04960	18.3
119.08598	14.2
120.05753	18.0
121.06528	7.6
121.09305	2.3
121.10153	37.4
123.08070	15.4
129.06990	2.1
130.04155	3.9
130.07837	1.9
131.00153	2.2
131.04959	3.1
131.08574	33.4
132.05722	4.2
133.02820	3.1
133.06450	2.1
133.10138	40.9
135.04428	2.0
135.07101	2.7
135.08064	38.7
135.11699	2.9
143.08563	4.2
144.09337	2.9
145.10135	14.8
147.04422	27.1
147.11697	16.5
148.05214	23.1
148.08911	2.1
149.01254	2.7
149.09648	13.2
149.13277	13.7
158.10921	8.1
162.03137	2.0
163.03868	1.8
163.07544	11.7
163.11136	1.3
163.14845	4.1
171.06560	1.5
173.13284	38.9
175.03931	2.7
176.04732	13.1
176.11966	2.0
191.07045	100.0
191.10736	8.0
191.14319	83.6
191.18024	2.6
192.07434	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03941	2.3
55.01859	2.7
55.05517	5.9
56.06528	0.7
57.03434	1.5
57.07062	0.8
58.38988	0.7
65.03943	1.7
67.05215	0.9
67.05513	10.0
69.03450	4.8
69.07071	5.1
70.92002	1.2
70.92340	1.3
71.04996	4.0
79.05059	1.1
79.05499	20.4
81.03404	1.0
81.07069	9.1
83.04986	4.7
83.08624	2.0
85.06540	3.5
86.60638	0.8
91.05484	35.2
93.07043	13.8
95.04993	5.3
95.08602	7.2
97.06539	5.5
99.08101	0.9
103.05447	3.0
105.03420	0.9
105.07040	34.9
107.04974	7.4
107.08605	24.2
108.05745	1.5
109.06538	6.3
109.10156	5.0
111.08104	1.1
115.05452	3.8
116.06235	4.7
117.07025	18.8
119.08584	21.1
121.06510	11.0
121.10152	10.5
123.08066	3.1
128.06239	1.9
129.07022	11.1
130.07814	6.0
131.08577	100.0
132.08899	1.3
133.06487	1.5
133.10141	40.2
135.04417	2.7
135.08069	13.3
135.11693	3.0
143.08583	6.1
145.06493	7.0
145.10129	47.1
146.10530	1.1
147.08049	11.6
147.11674	5.8
148.08681	1.0
149.05980	2.5
149.09630	19.8
149.13281	6.3
153.07040	1.4
154.07797	0.9
155.08601	4.6
158.07179	0.9
158.10901	7.1
161.09560	1.4
163.07564	14.9
163.11171	7.1
163.14825	2.6
173.09645	22.5
173.13286	21.7
189.48361	0.9
191.06969	1.7
191.10681	59.1
191.14311	31.7
192.10995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05510	8.2
67.05509	8.2
69.03416	2.8
69.07075	12.1
71.04974	3.7
71.37298	1.6
71.37619	1.2
79.05499	8.6
81.07058	8.9
83.04972	2.8
83.08628	13.4
85.06544	6.1
91.05486	17.3
93.07059	14.2
95.04964	8.3
95.08614	10.2
97.06528	8.0
103.05476	3.0
105.07041	47.1
107.08603	25.7
108.54745	1.2
109.06545	8.7
109.10150	16.7
116.06234	1.8
117.07059	5.8
119.08601	13.9
121.06530	3.6
121.10140	16.1
123.08036	4.9
129.06975	2.0
130.04140	1.1
130.07816	1.3
131.08583	38.8
133.10138	100.0
134.10507	1.2
135.08066	19.9
135.11664	4.0
143.08585	5.9
144.09343	1.8
145.10126	14.8
147.08061	2.4
147.11728	10.1
148.12473	1.2
148.30911	1.2
149.09627	7.8
149.13271	16.3
154.36374	1.4
158.10919	13.0
163.11148	1.6
163.14822	2.2
173.09654	1.3
173.13268	42.3
191.10666	2.3
191.14331	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	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03937	1.6
55.01863	3.4
55.05500	3.7
57.03435	1.9
57.07055	1.1
65.03938	1.8
67.05508	10.4
69.03425	4.7
69.07065	4.5
70.68949	2.5
71.04999	4.8
73.41570	0.8
79.05495	21.2
81.07072	7.7
83.04973	6.0
83.08613	2.3
85.06533	2.1
91.05483	32.3
93.07049	13.1
95.04985	5.7
95.08611	6.1
97.06518	2.5
103.05442	2.0
105.07035	30.7
107.04973	8.3
107.08601	22.5
109.06530	7.0
109.10188	4.5
111.08083	1.0
115.05459	2.7
116.06250	4.1
117.07021	16.9
117.35032	0.7
117.42800	0.8
119.08588	21.5
121.06515	9.2
121.10147	11.2
123.08064	3.0
128.06221	1.7
129.07022	11.2
130.07826	5.0
131.04903	1.7
131.08574	100.0
132.08891	1.2
133.06465	1.5
133.10139	31.1
135.08080	11.1
135.11671	2.2
137.90923	0.9
143.08569	4.8
145.06497	7.3
145.10129	53.4
146.10403	1.0
147.08057	11.1
147.11705	4.3
149.06006	2.3
149.09619	18.9
149.13257	5.4
153.06989	1.1
155.08517	4.2
157.09937	0.9
158.10933	4.5
161.09619	1.7
161.13335	0.9
163.07558	17.6
163.11165	8.1
163.14853	2.7
173.09648	25.0
173.13269	17.6
176.12009	1.1
191.10680	61.6
191.14317	27.3
192.11067	1.7
202.12172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0705
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
51.02373	1.6
53.03932	3.7
55.01852	3.5
55.05506	4.5
56.96566	8.2
57.03432	4.7
59.04988	1.3
63.02370	1.6
65.03934	1.6
66.04730	6.6
67.05494	5.0
69.03423	5.0
69.07064	5.1
70.33018	4.3
71.04977	3.2
77.03948	1.9
77.44487	1.3
78.04699	2.7
79.05502	10.3
81.03419	2.1
81.07062	7.6
83.04976	3.3
83.08620	3.9
85.02935	2.2
85.06564	1.9
86.09713	1.8
89.03893	3.0
90.04720	8.0
90.94839	1.4
91.04946	2.5
91.05482	22.0
93.07064	11.5
95.04965	5.8
95.08611	7.6
97.06483	2.0
98.97596	7.1
102.04694	40.4
103.05478	89.6
105.03378	3.4
105.07050	23.3
105.60492	1.2
107.04955	4.0
107.08601	20.0
109.06524	5.1
109.10156	7.9
110.97565	1.5
113.90285	1.3
115.05460	7.9
116.98617	2.9
117.03385	2.6
117.07018	14.8
118.04172	90.2
119.04929	5.5
119.08585	10.8
120.05721	4.4
121.02883	1.7
121.06483	5.7
121.10152	10.5
123.08063	4.5
123.11699	3.1
128.06187	1.3
129.07014	2.9
130.04160	77.6
130.07813	2.1
130.08804	1.2
131.00304	1.4
131.04942	76.7
131.08572	20.3
132.95781	1.7
133.02861	13.1
133.06499	3.6
133.09233	2.2
133.10149	25.1
135.04382	2.1
135.08093	14.5
135.11661	3.1
136.06125	3.4
137.05972	1.8
143.04877	1.3
143.08540	3.8
145.06509	11.4
145.10136	11.7
146.03664	19.9
146.07961	1.4
147.03381	1.1
147.04430	24.0
147.11703	6.4
148.05194	26.9
149.01225	2.5
149.05933	2.9
149.09653	6.6
149.13263	4.8
150.96873	1.6
158.03662	7.3
158.10938	5.1
161.02277	1.6
161.05920	3.1
162.06799	1.8
163.03902	2.0
163.07553	10.0
163.11163	4.5
163.14819	2.5
166.92743	1.4
173.05972	17.7
173.09628	2.2
173.13277	18.5
176.04701	100.0
177.05225	1.4
191.03296	16.2
191.07028	96.5
191.10474	8.8
191.14304	37.6
191.16002	1.5
204.76115	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	Oospolactone
Peak:m/z	Relative Intensity
53.03940	0.7
55.01863	1.1
55.05499	1.8
56.96580	2.5
57.03442	0.6
57.07050	0.5
59.04997	0.4
65.03935	0.7
66.04728	0.4
66.75421	0.4
67.05506	2.6
69.03423	2.0
69.07067	2.8
69.72250	1.9
71.04989	0.6
74.25498	0.4
79.05490	4.1
81.07058	4.1
83.04973	1.8
83.08598	1.7
85.06541	0.5
91.05484	5.8
92.06252	0.5
93.03394	0.5
93.06483	0.4
93.07049	6.3
94.16825	0.4
95.04942	2.2
95.08604	3.8
97.06524	1.1
98.21539	0.5
102.04717	0.5
102.93792	0.4
103.05457	2.8
105.07032	6.8
107.04929	1.6
107.08596	9.5
109.06532	2.0
109.10152	4.4
115.05431	0.7
117.07040	2.0
118.04146	1.2
119.04940	1.6
119.08587	3.5
120.05715	1.2
121.06517	4.0
121.10152	6.3
122.07309	0.4
123.08037	0.7
123.11720	2.0
130.04158	1.5
131.04944	1.4
131.08580	6.7
132.01495	0.5
133.06471	0.9
133.10121	6.6
135.04384	0.6
135.08046	6.3
135.11699	3.7
141.02054	1.4
143.08542	0.9
144.09294	0.5
145.06480	1.2
145.10114	4.4
146.03600	0.5
146.06038	0.5
147.04414	39.5
147.11690	2.1
148.05232	3.2
149.01189	1.0
149.02347	2.5
149.05965	1.2
149.09625	3.4
149.13264	2.2
158.07224	0.5
158.10895	1.6
159.04306	0.8
161.02397	0.8
161.05927	1.3
162.03133	2.6
162.05482	0.5
163.07562	3.0
163.11140	1.2
163.14847	1.1
167.03401	2.4
168.04420	1.1
168.27414	0.4
173.06009	0.5
173.09590	1.2
173.13243	5.8
175.03914	3.7
176.04694	13.7
176.08351	0.4
177.05461	5.3
191.07030	100.0
191.10564	5.3
191.14302	13.4
191.17896	2.9
192.07776	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	190.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82081	1.1
53.03951	28.7
55.01862	1.5
55.05520	12.7
56.05035	3.4
56.96568	9.0
57.03422	3.7
58.06598	2.5
67.05474	3.0
69.03421	2.2
69.07056	3.6
69.77991	6.4
70.06583	4.7
71.04639	1.7
71.05002	20.6
72.08159	1.4
73.02920	1.3
81.03419	7.4
81.07049	1.1
83.08643	1.2
84.08147	38.9
85.02902	3.4
85.06549	97.9
85.08926	2.2
87.10056	1.3
90.35194	1.4
95.08590	2.2
96.08143	1.3
97.02924	1.6
97.47260	1.3
98.09699	32.0
98.97578	5.3
99.04498	1.7
103.07587	35.7
108.08022	1.7
109.10148	4.1
110.97543	1.9
112.07610	4.0
113.06017	37.7
116.10741	100.0
116.98640	2.4
117.07082	1.6
119.08596	1.7
121.02864	2.6
124.99142	1.4
126.09151	11.9
130.08629	1.7
131.07056	12.7
141.77089	1.2
145.08609	28.1
149.01231	1.4
154.12254	3.3
158.11781	97.2
158.99721	1.4
162.05441	1.4
172.13344	3.6
190.10744	2.4
190.14398	48.5
194.02490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01869	3.2
55.05510	1.7
56.05048	0.6
56.96567	100.0
57.03436	12.1
58.06599	0.7
59.05005	0.7
60.95856	0.7
61.02932	5.2
61.66127	0.6
66.69994	0.6
67.05504	0.7
67.72301	0.5
68.05037	0.6
69.03429	11.3
69.07050	0.8
70.03773	0.6
70.64346	1.5
70.98119	2.2
71.05007	2.0
71.95271	3.5
72.40041	0.7
72.96060	1.4
73.02917	10.5
73.06550	0.6
74.00215	0.7
74.97635	4.0
75.01032	0.8
81.01014	0.9
81.03421	4.8
82.06582	3.7
83.00804	1.0
83.04961	1.2
84.08148	1.0
84.96044	4.7
85.02907	17.7
85.06547	0.9
86.97598	3.0
87.01005	0.7
87.04471	1.9
89.00784	2.3
90.01546	1.4
91.05496	1.2
92.01290	0.7
93.07050	0.9
95.00778	2.1
96.01532	1.5
97.02895	12.4
97.96807	1.4
98.01283	0.8
98.97585	86.0
99.04450	2.2
99.97902	1.6
100.07603	4.3
100.97195	1.2
100.99149	11.4
101.00765	4.7
102.01542	1.4
102.96947	0.8
103.03960	0.6
104.01295	2.3
107.08635	0.7
108.01550	1.0
109.02910	3.0
110.01289	8.3
110.51456	0.7
110.97574	23.6
111.97957	0.7
112.01058	0.6
112.07635	1.3
112.99134	14.7
113.06004	0.7
113.07944	3.3
115.00640	0.7
116.01257	2.3
116.98621	22.6
117.02055	1.4
117.99050	0.6
118.01020	0.9
119.00183	3.7
119.01809	11.9
121.01542	1.5
121.02818	3.4
121.06527	1.4
122.01263	1.3
123.02036	1.6
124.00943	0.6
124.99129	2.2
125.01802	1.3
126.02560	0.7
126.97062	1.4
127.00680	0.7
127.03912	2.7
128.02295	4.1
128.07095	0.8
128.52620	0.7
128.98613	16.0
130.08594	0.7
130.52573	0.6
131.00174	50.2
131.01775	3.6
131.09019	0.9
132.00510	0.8
133.01703	0.7
133.03395	0.6
134.99635	4.3
136.99103	0.7
137.01741	2.0
137.02736	0.8
138.35809	0.6
138.39536	0.6
140.02321	2.5
140.98581	2.4
143.00191	4.9
143.01811	1.4
144.98079	2.5
145.01678	1.1
145.03371	0.8
145.04961	1.1
146.02295	5.0
146.08125	1.7
146.52516	0.8
146.99635	6.7
147.03262	1.0
149.01222	92.9
151.00609	0.8
151.53204	0.7
152.00182	0.6
152.02296	2.0
152.98592	0.7
153.03111	0.7
155.00172	0.6
155.02798	1.2
155.04665	1.5
158.99654	11.8
159.99951	0.7
161.01219	2.1
161.02824	1.9
161.98433	0.6
162.99193	1.3
163.02814	0.7
165.00677	1.6
167.02278	18.2
168.03432	0.8
168.98091	1.0
169.01561	0.7
170.99683	8.2
171.01083	1.1
172.02824	1.9
172.97546	1.1
173.01239	2.0
173.13052	0.8
174.11345	0.7
177.00711	5.0
180.53131	0.6
182.03329	0.6
182.99651	2.1
186.04424	1.0
186.99092	0.8
187.02902	0.7
189.00716	6.7
190.98639	1.3
191.02283	8.7
191.04019	1.4
191.05861	0.8
191.08447	1.3
191.14122	2.2
194.99690	1.4
201.00673	3.5
205.00162	1.3
207.01788	1.3
209.03319	2.4
209.05273	0.6
213.00676	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	190.0501
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
53.03957	0.5
54.55970	0.2
54.93757	0.3
55.01888	0.4
55.05510	0.7
56.05036	0.3
56.96567	5.1
57.03440	1.0
59.04987	0.2
61.02904	0.6
65.03947	0.4
67.05508	0.4
69.03425	1.6
69.07076	0.6
70.03782	0.3
71.05000	0.8
73.02926	0.7
74.68535	0.3
79.05522	0.4
79.58234	0.2
80.17751	0.3
81.03431	1.1
81.07066	0.4
83.04981	0.4
84.08162	0.5
84.96065	0.4
85.02913	2.1
85.06563	0.6
87.04487	0.5
89.03930	1.4
91.05484	1.0
93.07042	0.3
94.06621	0.4
95.04971	0.6
95.08614	0.3
97.02904	2.3
98.09672	0.3
98.97578	2.7
99.04446	0.5
103.05485	0.5
105.07058	0.8
106.06510	0.3
107.04978	0.5
107.08628	0.4
109.02201	0.3
109.02915	0.7
109.04155	0.3
110.97608	0.5
112.07619	1.7
112.99107	0.3
113.06026	0.3
116.04982	3.6
116.10749	0.4
116.98619	1.8
117.03303	0.3
118.04659	0.9
118.06542	0.4
119.00202	0.4
119.08592	0.6
120.08092	0.3
120.08907	0.4
121.02888	3.9
121.06531	0.6
121.10033	0.3
127.03963	0.5
128.98621	0.8
129.06926	0.3
130.06554	0.8
130.08636	0.9
130.96320	0.4
131.04936	0.4
131.08527	0.5
132.08913	0.8
133.10153	0.7
134.06036	0.6
134.99652	0.4
135.08044	0.5
137.06042	0.4
139.03949	0.3
143.00140	0.5
144.04471	1.1
144.08109	0.8
145.01697	0.4
145.06516	0.3
145.10072	0.7
146.05980	0.3
146.10466	0.5
146.99648	0.8
147.04379	0.4
147.11696	0.3
148.08365	0.3
148.12009	0.5
148.97388	0.4
149.01157	0.4
151.00748	0.3
154.08681	0.5
154.83418	0.3
155.54829	0.6
157.09741	0.7
158.99683	0.5
161.01196	0.5
162.05508	100.0
163.02815	1.4
163.03951	0.4
163.05849	1.7
165.04395	0.3
169.01688	0.7
169.04308	0.3
172.03999	0.5
172.09691	0.6
172.12093	0.6
179.02888	0.3
179.04680	0.4
181.03819	0.4
185.02995	0.4
187.02803	0.4
190.04994	34.9
190.10730	0.7
190.13217	1.3
191.05359	0.6
191.07001	0.6
191.14331	0.8
194.99690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17923	0.9
55.05505	1.8
62.64487	1.0
64.89545	1.0
69.03426	6.2
69.60507	4.0
69.60919	2.5
76.14154	1.0
79.05489	1.4
85.02905	3.5
87.00784	1.7
87.19605	1.1
91.05488	8.1
93.07038	1.7
105.07040	16.7
107.04931	1.1
107.08590	2.4
115.05462	1.9
117.07018	4.5
119.08582	24.0
121.10196	1.1
128.06227	4.4
129.07034	3.7
130.07782	3.8
131.08615	9.0
133.10115	8.3
140.85818	1.1
141.06964	9.5
143.08582	8.3
144.09331	1.6
145.10121	21.4
146.10966	1.3
147.04443	2.4
147.08067	9.2
147.11694	19.1
155.08591	3.2
156.09355	58.3
159.08075	5.4
159.11707	11.2
160.08856	2.5
161.09639	2.1
161.13266	5.0
163.84169	1.2
171.11703	66.1
174.10393	11.3
189.09122	3.5
189.12756	100.0
190.06113	2.1
190.13129	1.4
199.78822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48001	1.0
69.03439	5.7
69.07079	1.0
69.83679	3.4
69.84081	2.5
79.05478	1.6
81.07020	1.0
91.05484	6.5
93.07017	1.4
98.21387	1.6
102.96527	1.0
105.07036	13.0
107.08623	1.5
114.79411	0.9
117.07039	4.2
119.08580	22.5
119.09352	1.9
128.06200	3.8
129.07025	4.8
130.07762	5.0
131.08543	8.5
133.06435	2.2
133.10139	6.1
141.06969	11.3
142.07805	1.2
143.08585	8.5
144.09329	1.4
145.06543	1.9
145.10121	19.2
146.10905	1.8
147.08006	7.6
147.11690	16.9
155.08511	3.9
156.09352	64.4
159.08040	6.3
159.11708	17.3
160.08813	1.6
161.09618	2.4
161.13251	1.7
171.11699	74.7
174.10399	8.5
189.09215	6.1
189.12750	100.0
190.13174	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79198	0.8
67.05484	1.2
69.03432	6.7
69.60687	5.9
75.30240	0.9
79.05477	1.3
91.05492	5.9
95.04961	1.0
103.05482	1.0
105.07037	13.2
107.08663	2.1
115.05435	2.4
117.07040	5.9
119.08597	17.9
128.06229	3.7
129.06989	3.6
130.07829	4.8
131.08580	6.4
133.06506	1.7
133.10153	7.3
141.07005	10.8
142.07826	1.8
143.08566	7.4
144.09354	3.4
145.06476	2.2
145.10135	18.8
147.08058	7.0
147.11703	12.7
155.08603	2.5
156.09361	67.0
157.09792	1.0
159.08055	5.4
159.11717	16.2
160.08821	1.8
161.09630	2.2
161.13280	2.2
167.43561	0.9
171.11708	73.4
171.50227	1.0
172.12088	1.3
174.10403	9.9
189.09119	3.4
189.12764	100.0
190.13159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
56.05037	4.0
56.21058	0.4
56.96568	1.1
57.04330	0.4
58.06607	2.1
59.05005	0.7
67.05502	1.7
67.29365	0.4
67.72340	0.4
69.07059	0.7
71.04985	0.8
71.07674	1.1
72.08153	1.1
73.06549	0.5
74.06093	0.7
83.04993	4.2
84.04512	0.6
84.08149	5.7
84.31696	0.4
85.06551	0.5
86.09720	0.4
88.14804	0.4
97.06524	1.9
98.09698	0.8
98.97573	1.0
99.08090	0.9
101.06028	1.1
101.08394	0.5
102.05547	53.8
110.09677	0.9
111.04451	8.8
115.07608	0.7
116.10727	7.0
116.98624	0.6
125.06041	2.3
128.10728	4.5
142.12242	2.0
143.07042	7.7
156.10220	1.1
160.13356	0.6
188.12827	100.0
189.13129	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	188.1282
Annotation	N-Heptanoylglycine
Peak:m/z	Relative Intensity
51.58937	0.3
54.24120	0.3
55.05511	1.1
56.05040	3.7
56.96556	1.1
57.03449	0.4
58.06605	1.0
64.84625	0.3
65.03912	0.4
67.05510	1.6
70.06621	0.3
70.81043	0.8
72.08165	1.0
73.06552	0.8
74.06078	0.7
81.41119	0.4
82.06564	0.4
83.04995	4.1
84.04511	0.5
84.08147	5.8
85.06539	0.8
86.09686	0.6
95.04968	0.4
97.06528	1.4
98.09734	0.5
98.97596	0.6
99.08109	0.4
101.06020	1.2
102.05547	47.8
110.09672	0.4
111.04447	8.1
112.11275	0.3
115.07536	0.6
116.10741	8.3
120.20042	0.4
124.97052	0.4
125.05981	1.8
128.10721	2.3
129.85442	0.3
142.12302	1.5
143.07047	6.8
149.56235	0.5
156.10156	0.4
160.13362	0.4
186.91519	0.3
188.12827	100.0
189.13133	1.1
201.78194	0.3
204.82465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05508	1.9
57.03429	2.3
61.92525	0.8
67.05507	1.8
68.99808	1.6
69.03416	1.6
69.07065	1.1
70.98958	0.8
72.37304	0.8
75.22559	0.7
79.05496	1.4
81.07053	1.6
85.02912	16.3
87.00844	4.3
90.87828	1.0
91.05492	25.8
93.07038	1.3
95.08607	1.6
98.20773	1.7
103.05460	1.5
105.03390	3.2
105.07035	10.1
107.04980	5.8
112.10625	0.7
115.05437	1.7
116.06260	2.0
117.06989	1.2
118.04176	7.0
119.04953	10.8
119.08591	4.8
121.06512	10.0
128.06236	13.6
129.07019	34.0
130.07753	1.7
131.04921	6.2
131.08556	4.9
132.05705	1.9
133.02861	12.1
133.06503	4.1
133.10167	4.2
143.08519	1.2
144.05693	3.1
145.06511	3.0
145.10172	1.5
146.03683	0.9
146.07288	16.0
147.04472	1.2
147.08052	5.7
147.09045	0.9
147.11674	2.4
148.05203	100.0
155.06029	2.7
156.09349	2.3
157.06493	19.7
158.07210	1.4
159.04437	1.0
159.08058	3.4
161.04654	0.9
161.06001	27.4
161.09630	40.6
161.13245	1.0
171.11714	2.8
174.06772	11.7
189.05516	2.3
189.09119	42.2
189.12704	5.8
189.16412	4.2
190.06258	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1282
Annotation	N-Heptanoylglycine
Peak:m/z	Relative Intensity
55.05508	1.0
56.04783	0.3
56.05038	4.3
58.06596	1.8
59.05005	0.5
67.05502	1.9
69.07066	0.6
69.94991	1.1
71.04984	0.4
72.08150	1.2
73.06557	0.7
74.06080	1.1
75.04491	0.5
81.06633	0.2
83.04984	4.7
84.04505	0.4
84.07681	0.4
84.08148	5.1
85.06549	0.4
86.09710	0.5
87.79524	0.2
96.08167	0.3
97.06532	1.6
98.09695	1.9
99.08082	1.0
101.06026	1.4
102.05542	50.4
103.05883	0.5
105.19939	0.2
110.09682	0.7
111.04446	8.3
112.11252	0.2
113.06044	0.3
115.07565	0.7
116.10735	7.7
125.05984	2.0
127.44934	0.3
128.10713	4.0
142.12276	2.3
143.07042	7.4
156.10197	0.8
160.13348	0.5
170.11777	0.3
188.12820	100.0
189.13184	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	188.0707
Annotation	3-Indoleacrylate
Peak:m/z	Relative Intensity
51.63181	0.4
53.30916	0.4
63.91375	0.4
69.35060	0.4
70.61522	1.1
71.05010	0.4
79.72781	0.4
84.04509	2.7
85.02917	0.5
91.05475	3.8
91.42268	0.4
91.98281	0.4
102.05553	0.7
103.05443	0.5
105.07067	0.9
115.05463	30.1
116.05012	0.7
117.05768	1.3
117.07027	4.7
118.06552	57.2
119.06883	0.8
119.08575	1.0
128.10767	0.5
130.06519	0.4
132.08104	0.7
140.04927	0.5
142.06532	34.4
143.07323	14.5
144.04442	0.8
144.08095	23.4
145.06473	0.5
146.06018	78.8
147.06358	1.2
147.08080	0.5
155.06052	0.9
156.09322	1.2
159.08122	0.5
160.07552	1.1
170.06020	100.0
171.06407	2.9
171.11717	1.4
174.10365	0.5
188.07076	53.6
188.12727	2.1
189.07446	0.8
189.12794	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.32338	0.4
53.72922	0.4
55.88451	0.3
65.85167	0.4
69.99574	1.7
73.22321	0.4
91.05480	4.6
103.05467	0.6
115.05462	5.9
116.05035	0.4
116.06220	0.5
117.05792	1.8
117.07013	4.1
118.06544	69.3
119.06902	0.4
120.33176	0.4
132.08089	0.7
142.06508	5.9
143.07318	12.5
144.04460	1.1
144.08089	23.5
145.06470	0.6
146.06012	100.0
147.06358	1.1
155.06020	0.6
160.07574	1.1
170.06021	8.5
177.58803	0.4
188.07071	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
54.27996	0.3
55.09255	0.3
55.66330	0.3
56.96579	0.4
61.19255	0.3
68.09824	0.3
70.58675	0.8
84.04517	0.7
88.51363	0.3
91.05477	4.7
96.08143	0.8
103.05499	0.5
115.05462	7.5
117.05769	1.2
117.07024	4.6
118.06549	71.5
119.06863	1.1
128.04980	0.4
132.08110	0.9
134.09972	0.3
142.06523	7.1
143.07310	11.3
144.04417	0.6
144.08090	24.7
145.06479	0.5
145.08424	0.4
146.06013	100.0
147.06339	1.3
155.06030	0.9
160.07558	1.3
163.41138	0.4
165.31770	0.3
170.06030	8.7
188.07074	19.0
188.12878	0.9
189.07504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85987	0.5
69.99515	1.2
69.99911	0.8
72.71445	0.4
84.04505	1.2
85.02897	0.7
86.81741	0.4
87.50766	0.4
91.05487	5.4
93.34077	0.5
93.82526	0.4
102.05554	0.6
103.05438	0.6
115.05476	6.0
116.05003	0.5
117.05757	1.3
117.07034	5.9
118.06548	77.3
119.06881	1.1
128.02362	0.6
142.06532	6.8
142.10527	0.6
143.07307	12.3
143.08400	0.8
144.04478	0.7
144.08090	26.4
145.06464	0.8
146.06017	100.0
147.06358	1.4
155.06091	1.1
160.07494	1.2
170.06038	9.9
188.07072	21.1
188.12842	1.2
189.07318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1079
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
50.42968	0.3
53.15171	0.4
55.22022	0.4
56.05038	12.7
56.96296	0.4
56.96570	8.1
58.06589	0.6
67.05467	0.4
68.05030	1.6
69.03425	1.4
70.06590	1.1
70.29512	1.5
70.98122	0.7
71.05007	0.5
73.02907	0.4
73.07687	2.6
73.08019	0.4
74.02432	1.2
74.06075	2.3
78.43515	0.4
81.03397	0.5
82.06566	0.9
82.99837	0.4
83.04988	0.5
83.06129	0.4
84.04499	1.5
84.08131	1.9
85.02897	0.7
94.06570	4.0
97.07661	21.6
97.40260	0.3
98.97585	7.1
99.05566	1.5
100.07626	0.5
101.00882	1.5
101.07152	8.8
101.40778	0.4
102.05547	12.0
110.97581	1.1
111.53762	0.4
112.07618	0.5
112.99146	0.6
116.07081	1.1
116.98642	2.3
119.01932	2.8
119.97375	0.4
123.09203	9.2
128.07062	0.7
128.10692	0.4
128.98604	0.8
131.01901	0.6
132.03458	0.4
133.03493	0.7
134.99654	0.5
137.03058	0.5
138.03165	0.4
141.10245	15.2
143.07118	0.5
143.08170	6.1
145.01663	0.5
146.99611	0.5
156.98044	0.6
163.02768	0.6
169.09731	6.2
169.25772	0.4
170.11696	0.5
174.99132	0.6
187.10789	100.0
188.11154	1.1
188.12819	10.5
205.00060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
50.21142	0.4
51.02388	0.6
55.05521	1.6
55.91552	0.5
56.96571	6.5
57.03442	0.8
57.07080	43.4
59.78820	0.4
67.05520	1.9
69.03448	1.2
69.07079	1.2
71.57355	0.7
74.91832	0.5
79.05503	2.3
81.03429	1.9
81.07069	1.2
83.08594	0.6
84.04510	1.0
85.02924	0.7
87.02441	0.4
87.24857	0.6
88.02222	1.9
88.72565	0.5
91.05482	7.8
93.07056	1.5
95.05015	0.8
95.08630	1.3
99.09278	0.8
103.05486	1.4
105.07037	15.7
107.08582	0.7
109.02931	0.8
115.05478	1.2
115.55606	0.5
117.07015	5.7
119.04404	0.8
119.08587	2.3
128.06245	1.2
129.02246	1.5
129.07019	3.2
129.52777	0.5
130.06752	0.6
130.07787	5.9
131.04953	1.4
131.08582	31.6
138.07034	0.7
139.05824	0.7
141.06978	1.5
141.10222	1.0
143.08549	5.8
144.09340	1.9
145.10135	100.0
146.10501	1.5
147.03271	1.0
153.09302	0.7
157.10153	2.0
158.10909	1.7
159.04384	0.7
159.08102	1.3
159.11687	6.7
166.08295	1.4
169.10100	0.6
172.12555	0.8
173.00929	0.5
175.08784	1.4
177.59105	0.8
187.03896	2.7
187.07558	2.3
187.11209	2.7
187.14832	26.8
187.22418	0.7
188.15082	0.7
189.04411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.081
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03932	1.0
55.01869	0.6
55.05493	1.4
56.96544	1.1
57.03423	0.7
65.03948	4.5
66.53565	0.3
67.05511	3.2
68.99799	2.4
69.03417	1.0
69.07047	1.5
69.78104	2.0
71.04972	1.4
75.04492	0.4
79.01531	0.3
79.01858	2.8
79.05515	1.8
81.03420	1.0
81.07053	1.9
82.04211	1.8
82.08080	0.4
83.04964	1.3
84.04509	1.7
85.02897	0.6
85.06546	0.8
86.09692	0.7
91.05479	0.6
92.02629	0.4
93.03418	3.7
93.07034	1.7
95.01322	0.9
95.04958	2.2
95.08607	1.7
97.06538	1.8
98.20747	0.6
98.97562	1.0
101.06020	0.6
102.12845	0.4
102.96872	1.0
105.07042	0.6
107.04985	0.4
107.08595	1.4
109.02876	1.1
109.10146	0.9
110.03674	12.2
111.04447	4.4
111.08096	0.6
117.03382	0.7
119.01865	0.3
119.08542	0.4
120.97890	0.4
121.06533	0.4
121.10137	1.8
123.08064	0.5
123.11742	0.6
125.06002	100.0
125.09595	1.6
126.06419	1.2
127.03943	1.2
128.06247	0.7
129.07019	0.7
130.06544	0.9
135.05568	1.0
136.67661	0.4
139.03923	2.3
139.11197	1.4
141.05489	0.4
141.07025	1.0
142.07808	1.3
143.08615	0.5
144.05583	0.4
145.02887	0.4
145.75584	0.4
149.09651	0.7
149.13310	0.6
153.05478	31.8
154.06274	3.5
155.03477	0.8
155.08588	0.5
157.06560	0.7
157.08667	0.4
157.10152	1.5
163.01849	0.4
167.10706	1.3
170.05724	1.2
170.10962	1.2
181.02934	0.6
185.04552	0.5
185.05901	0.7
185.08154	12.1
185.09714	1.6
185.11731	0.7
185.13237	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	184.0969
Annotation	N-(cyclohex-1-en-1-ylcarbonyl)glycine
Peak:m/z	Relative Intensity
53.03932	4.3
54.04263	1.2
55.01870	1.7
55.05494	4.0
56.96566	8.4
58.14692	1.1
58.67105	1.1
60.04515	1.9
60.95861	1.2
65.03930	1.9
67.05508	6.2
68.05022	1.2
69.03412	3.0
69.07073	16.2
69.74211	7.0
70.06582	3.1
71.04970	1.6
72.08147	2.0
77.03941	1.1
79.05499	8.4
80.05006	3.8
80.05867	1.3
81.03429	2.6
81.05791	3.2
81.07043	3.6
82.06594	5.6
84.04478	1.3
84.08138	1.5
86.02416	2.7
86.09711	1.9
91.05475	14.4
93.07045	25.0
94.06576	21.2
94.37653	1.0
94.55253	1.2
95.04955	4.9
95.07358	31.1
95.08610	7.0
96.04508	1.3
96.05287	3.5
96.08138	58.9
97.02894	2.7
97.06532	7.2
97.07038	1.2
98.97592	9.2
101.00876	4.6
101.95029	4.2
102.96844	1.6
103.05460	4.6
108.04469	2.6
108.07423	1.8
108.08121	31.7
109.08913	6.1
110.05999	2.4
110.09687	100.0
110.97536	1.2
112.02688	1.3
116.98620	2.8
119.01931	14.0
119.04935	3.3
120.05271	3.4
120.08112	65.5
121.06517	4.1
121.10123	1.2
123.06818	4.6
123.08025	1.1
124.04765	3.4
124.07610	6.3
135.06813	1.9
135.34532	1.1
136.06175	2.7
136.07607	5.3
137.02951	3.0
138.05452	3.0
138.09148	94.4
138.12753	7.4
140.04636	1.0
141.05074	1.6
142.03520	2.1
143.00212	2.1
147.04379	5.6
148.04767	8.0
148.07576	16.4
156.10234	1.3
161.02905	1.6
166.05061	2.5
166.08646	60.5
167.08969	1.3
184.09694	80.7
184.16957	9.2
185.04440	3.5
185.10028	2.2
203.67653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25290	0.4
51.62445	0.4
56.96568	0.6
63.16783	0.4
65.72265	0.4
70.25458	1.4
82.99846	4.5
98.21412	0.7
98.97600	0.8
101.00890	46.6
101.95029	1.7
102.00970	0.9
102.96883	0.7
119.01933	100.0
120.01996	2.2
120.97931	0.4
124.02472	2.9
137.02968	17.3
137.66779	0.4
142.03514	22.0
143.03606	0.7
160.04573	4.4
161.02965	10.7
179.04028	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	183.1381
Annotation	Nordavanone
Peak:m/z	Relative Intensity
53.03936	3.6
55.01868	3.6
55.05504	10.4
56.96587	1.1
57.03432	1.9
57.07076	9.1
59.04993	2.5
65.03938	1.3
67.05503	17.5
68.99784	1.2
69.03081	2.2
69.03433	34.1
69.07069	44.8
69.46046	7.2
71.04993	6.8
71.08614	3.3
79.05496	15.0
81.03418	5.8
81.07059	100.0
82.07394	1.4
83.04984	16.5
83.08626	4.6
85.02895	1.0
85.06546	13.2
91.05471	4.2
93.07040	8.3
95.04979	17.8
95.08605	28.7
97.06540	9.2
97.10148	1.0
98.98438	1.8
99.04469	20.0
99.08095	41.6
100.83344	0.9
105.03382	2.0
105.07037	7.3
107.08611	15.2
109.06524	22.3
109.10158	15.2
110.07327	0.9
111.08074	6.9
113.06001	7.3
119.08593	5.4
121.09303	2.0
121.10147	31.9
122.07304	2.2
123.04425	9.6
123.05408	1.6
123.08073	13.3
123.11704	21.0
125.09631	20.8
127.07576	6.6
135.11771	1.1
137.09631	8.4
137.13266	7.3
139.07613	1.7
139.11188	21.9
140.04672	4.4
141.06981	2.5
147.11687	6.9
155.07028	3.4
155.08548	1.4
165.10326	2.3
165.12758	16.1
168.09354	1.5
183.06564	1.5
183.09216	2.9
183.11766	3.2
183.13818	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	184.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96847	0.6
53.03941	2.2
55.01864	3.3
55.05511	1.0
56.96569	63.4
57.03441	20.5
58.03759	0.7
59.05006	1.6
60.95848	2.0
61.02922	5.1
66.00513	1.2
67.05512	1.5
68.30035	0.8
69.03433	15.8
69.07085	1.0
70.03763	1.4
70.06587	2.1
70.98128	6.1
71.01339	3.5
71.05000	10.1
71.56399	1.0
71.94891	0.7
71.95269	4.1
72.05341	0.7
72.08159	1.1
72.96049	1.8
73.02921	11.0
73.06526	0.7
74.00258	1.2
74.03263	1.0
74.97612	1.4
75.01044	6.7
75.04489	1.2
77.00822	1.0
80.00269	1.3
81.01044	3.8
81.03425	11.1
82.00009	1.4
82.01823	1.6
82.03757	0.8
82.99850	2.9
83.00764	3.5
83.04985	1.0
84.01113	1.0
84.01573	15.0
84.08147	0.9
84.96026	3.4
85.02420	1.3
85.02911	18.9
86.03271	1.2
86.03703	7.8
86.97576	1.0
87.01023	1.5
87.04485	4.8
88.01765	0.8
88.99184	1.6
89.00797	4.1
89.06006	0.7
90.01566	6.2
91.00528	1.3
92.00256	0.8
92.01314	1.6
93.01042	1.0
93.02088	4.7
94.01811	1.0
95.00748	3.6
95.04951	1.0
95.52349	1.1
95.54930	0.9
96.01583	4.1
97.00529	0.8
97.02332	2.5
97.02902	11.7
97.96809	8.4
98.01301	2.3
98.97591	53.4
99.02052	2.0
99.04455	5.6
99.97922	1.6
100.05264	4.2
100.97204	1.1
100.99159	2.1
101.00876	36.0
101.02371	1.8
101.95030	1.7
101.97207	1.9
102.00949	1.8
102.01550	3.0
102.96870	5.3
103.00549	1.9
103.02335	8.6
104.01294	3.8
104.10735	6.9
105.02052	6.2
106.02847	2.1
107.01843	0.9
108.01530	4.3
109.02278	1.5
109.02902	7.2
110.01292	13.8
110.03148	2.2
110.51500	1.5
110.97587	12.8
111.00292	1.0
111.02082	3.4
111.02804	1.0
112.01009	2.8
112.02854	5.5
112.99136	9.1
113.00858	0.9
113.01769	1.1
113.05991	1.0
114.01607	1.2
115.00641	2.0
115.02402	2.9
115.97853	2.6
116.01286	3.0
116.03122	0.9
116.98634	15.6
117.02067	9.2
117.52359	1.4
118.01100	1.2
118.02840	2.9
119.01910	100.0
119.03655	2.7
119.96102	0.8
120.02034	2.9
120.08108	2.2
120.11683	0.7
120.97919	2.5
121.01535	2.0
121.03362	1.4
123.02045	1.5
124.01011	1.1
124.02821	2.4
124.95489	2.2
124.99119	2.6
125.01794	1.6
125.03622	0.9
126.02589	6.0
127.00697	2.5
127.02475	0.9
127.03952	4.2
128.02339	9.6
128.98610	8.9
129.02095	2.8
130.02806	0.9
130.52582	1.2
131.00180	18.7
131.01768	4.2
132.00700	1.2
132.02643	1.3
133.01598	3.3
133.03375	4.5
134.02292	1.1
134.99672	3.6
135.03099	3.5
136.00961	1.1
136.02794	1.1
136.99074	0.9
137.02951	17.5
137.53302	1.0
138.02563	2.8
138.05502	1.1
139.01543	2.2
139.53113	0.8
140.02301	4.2
140.98627	1.6
141.01291	1.2
142.01785	2.0
142.03505	15.5
142.96559	2.8
143.00172	7.5
143.01909	3.1
144.98126	3.9
145.01683	6.7
145.03394	5.3
146.02322	1.0
146.99666	4.7
147.01430	1.3
147.03159	3.4
148.03877	1.2
149.01239	18.4
149.02823	2.0
150.01648	1.0
153.03104	1.8
154.02055	1.7
154.03845	2.3
155.00171	1.0
155.02873	6.6
157.01672	1.4
157.03487	1.7
158.99666	4.2
160.02896	1.1
160.04576	2.6
160.97609	1.5
161.01395	5.4
161.02956	10.1
162.03700	1.0
162.99081	2.0
163.02805	3.2
163.04330	1.0
165.00722	1.6
167.02261	3.0
169.01717	0.9
170.99652	2.0
172.04901	1.5
173.01245	1.3
174.99136	1.4
175.02750	2.8
175.04384	1.8
177.00717	2.2
179.02278	2.0
179.04050	6.2
182.99715	1.4
184.02921	1.2
184.04877	2.9
184.06387	1.1
184.09674	2.5
184.13350	0.8
185.03004	0.8
186.99127	0.9
187.02773	2.2
187.04431	0.9
189.00706	2.0
190.01503	6.1
191.02232	2.8
193.00200	0.9
197.94360	0.9
201.00740	2.5
203.02298	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	182.1542
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.05510	8.1
55.44120	1.2
55.50496	1.2
56.96568	4.8
57.07061	3.4
58.02695	2.3
58.02966	37.2
67.05511	25.8
69.07074	62.8
69.22573	14.3
70.06591	2.5
74.06068	1.3
79.05489	5.8
81.07056	21.8
83.08633	7.4
84.08154	8.2
85.06577	1.6
91.05494	5.2
93.07058	11.6
95.04992	2.1
95.08648	6.9
95.92338	1.4
97.06549	7.1
98.06062	2.3
98.09690	3.3
98.97593	13.3
99.97923	5.9
100.07609	7.1
105.07053	12.7
107.08601	19.7
109.06523	2.4
109.10169	46.2
112.07594	2.9
114.09180	15.2
116.98640	4.8
117.98994	2.9
121.10155	2.3
123.11708	8.0
126.09193	12.4
133.10141	28.9
134.99733	1.5
135.11714	23.2
138.12805	23.7
140.10756	2.0
140.14404	2.1
147.11711	3.3
151.11197	8.8
153.12761	14.6
154.15985	2.1
164.14355	2.5
165.12764	3.4
166.53239	3.2
179.03601	7.3
179.53745	2.0
182.15422	100.0
188.04218	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	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02386	1.4
53.03951	14.6
54.37050	0.4
55.01876	4.5
55.05515	1.8
56.96545	0.5
57.03434	0.8
57.07097	0.5
59.04975	0.5
63.02739	0.4
63.56190	0.3
65.03947	5.6
67.05164	0.8
67.05509	11.7
68.65311	0.4
69.03436	1.7
69.07072	1.5
70.02592	1.4
70.06570	0.4
71.04991	1.9
77.03947	3.5
79.05508	2.9
79.98451	0.5
81.03413	3.1
81.07068	3.8
83.04975	0.7
85.02915	1.1
85.06509	0.9
91.05496	1.9
93.03415	0.8
93.07043	3.0
95.04975	100.0
95.08602	5.2
96.05290	1.0
97.02876	0.8
97.06553	2.2
98.20826	0.7
98.97574	0.8
98.98488	1.2
99.04465	3.2
99.08134	0.8
105.03425	2.0
105.04516	7.8
105.07028	2.8
107.04954	0.7
107.08589	1.4
108.02106	1.3
109.02880	1.2
109.06529	2.5
109.10162	2.5
110.03668	0.6
111.04439	0.8
111.08092	0.7
113.06032	0.6
119.06132	0.5
119.08582	2.7
121.04008	0.9
121.06507	0.4
121.10139	1.3
123.04438	79.6
123.08065	4.9
123.11729	0.6
124.04778	0.6
124.07616	2.3
125.02367	5.3
125.05978	1.4
125.09650	1.2
127.03880	0.7
127.07540	1.3
133.02846	0.5
137.05978	1.3
137.09615	2.7
138.09117	0.7
139.03947	0.5
139.07544	0.7
139.11139	0.4
140.04694	30.3
141.05377	0.4
141.09093	0.4
147.04381	0.5
147.08078	1.5
151.03818	0.5
152.79150	0.4
155.07045	20.1
165.05499	0.8
165.09152	2.7
165.12775	1.4
166.08676	1.5
169.04994	0.7
172.05727	0.4
183.06534	4.3
183.08008	0.9
183.10220	2.8
183.11612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
56.96589	0.5
57.01775	0.3
65.03939	0.5
65.87963	0.3
67.05505	0.9
67.98289	0.3
71.58099	0.3
71.58546	0.4
77.03947	0.8
79.05489	1.2
80.05029	0.6
80.05814	0.3
81.07075	0.7
87.70335	0.3
91.05488	4.5
93.05785	0.8
93.07062	3.9
94.06582	0.6
95.04979	6.4
97.02879	0.3
98.97593	1.1
105.04527	0.9
108.04459	0.8
108.08144	2.7
108.08819	0.5
110.09693	0.5
118.06546	0.4
118.91151	0.3
122.06020	2.2
122.10487	0.5
123.04430	3.8
126.05550	1.5
136.07585	100.0
137.07930	1.1
138.09064	0.3
140.04707	1.5
140.07068	2.4
140.15250	0.4
148.69722	0.3
154.08585	0.6
155.07036	0.6
164.07077	49.9
165.07416	0.8
182.04462	0.3
182.08116	1.0
183.09267	0.3
189.61073	0.4
197.75337	0.3
202.26697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03946	4.5
55.01852	1.5
55.05506	4.4
55.79184	0.8
55.95352	0.8
56.96543	2.9
57.32226	0.9
58.02941	2.7
65.03921	4.1
67.05508	20.5
69.03397	1.2
69.07091	4.7
70.02936	2.0
70.06576	1.6
71.16465	1.6
79.05495	30.6
79.05948	1.5
80.04998	2.5
80.05846	1.0
81.07062	41.7
82.06578	1.4
83.04971	1.0
83.08607	2.5
84.08123	2.6
85.06550	1.0
85.51257	1.1
86.02404	3.8
91.05499	7.5
92.05803	1.6
93.05806	8.1
93.06313	1.5
93.07036	3.6
94.06538	3.0
94.07363	1.6
95.04977	9.1
95.08588	1.6
96.04486	2.1
96.08144	2.0
97.05295	1.1
97.06535	10.3
98.06026	3.2
98.09088	0.9
98.09687	4.0
98.97566	6.0
99.97891	2.2
105.04491	1.2
106.06548	1.1
107.04962	1.1
107.07326	4.6
108.04453	3.6
108.08121	60.1
108.08825	2.2
109.02876	1.0
109.06541	8.8
109.08405	1.4
109.10149	1.0
110.06057	5.7
116.98620	2.1
118.06519	2.6
120.04440	1.6
121.05218	3.5
121.06522	1.0
122.05982	4.7
122.06815	1.8
122.10443	1.5
123.04391	2.9
123.08065	1.7
124.05205	1.4
124.07571	1.9
125.06001	30.5
125.08347	1.1
126.05525	33.0
126.08320	1.2
126.09164	19.4
134.05983	1.5
134.99654	1.1
136.07582	100.0
137.09589	1.8
138.05490	3.1
140.04637	1.4
140.07037	1.3
141.05455	1.1
149.05516	2.5
149.19957	0.9
152.07018	1.6
153.05461	2.0
153.07811	2.6
154.08630	28.5
155.07037	1.2
157.34526	1.0
164.07072	83.0
165.07434	1.0
165.09138	1.3
167.07057	1.1
171.55574	2.0
182.08104	76.3
198.05945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03939	2.9
53.55989	1.0
54.32811	0.9
55.01859	3.7
55.05513	5.4
56.96558	3.6
57.03431	3.7
57.06820	1.4
57.07080	21.6
59.04992	3.2
62.94381	0.9
65.03934	3.2
67.05506	5.7
69.03433	3.3
69.05076	0.8
69.07054	4.3
71.04993	2.8
71.56425	1.4
71.95240	1.6
77.03913	1.8
78.04693	2.3
79.05494	17.0
81.03422	7.3
81.07071	9.7
83.04985	50.5
83.08640	6.6
85.02885	1.1
85.06538	1.7
89.03914	1.8
90.04670	1.6
91.04941	1.8
91.05482	16.3
91.81393	1.0
92.02619	1.1
93.07051	15.3
95.04980	21.0
95.08617	4.0
95.30589	0.8
97.02878	1.6
97.06535	28.4
98.97589	47.0
103.05480	1.8
105.04530	1.4
105.07021	9.0
106.04174	3.3
107.04954	7.8
107.08594	15.6
108.05772	2.0
109.06519	3.8
109.10176	2.3
110.03693	1.4
111.04441	1.7
116.98621	22.5
117.07019	4.1
118.04168	1.3
119.08589	4.4
120.05720	1.3
121.06522	7.7
121.10146	23.8
122.07289	1.1
123.04414	5.4
123.08073	4.1
123.11735	1.5
125.06000	67.7
126.06277	1.1
130.07811	2.3
132.05019	0.9
134.99677	6.6
135.04424	3.2
135.08066	3.6
135.11713	10.0
136.05212	2.7
137.05981	13.9
137.09589	2.0
138.03085	1.3
138.06815	4.6
139.11179	1.4
140.00264	1.7
145.10109	14.2
148.05196	41.9
149.05951	3.4
151.03928	5.6
153.09174	1.5
158.01212	1.2
163.03941	1.6
163.07506	2.3
163.11188	100.0
164.07127	1.6
164.11565	1.7
165.05402	1.4
166.06274	2.6
176.44731	0.9
181.05193	5.2
181.08611	95.8
181.12201	30.9
181.15764	1.6
182.09038	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	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03949	2.6
56.96589	0.5
57.01775	0.3
65.03939	0.5
65.87963	0.3
67.05505	0.9
67.98289	0.3
71.58099	0.3
71.58546	0.4
77.03947	0.8
79.05489	1.2
80.05029	0.6
80.05814	0.3
81.07075	0.7
87.70335	0.3
91.05488	4.5
93.05785	0.8
93.07062	3.9
94.06582	0.6
95.04979	6.4
97.02879	0.3
98.97593	1.1
105.04527	0.9
108.04459	0.8
108.08144	2.7
108.08819	0.5
110.09693	0.5
118.06546	0.4
118.91151	0.3
122.06020	2.2
122.10487	0.5
123.04430	3.8
126.05550	1.5
136.07585	100.0
137.07930	1.1
138.09064	0.3
140.04707	1.5
140.07068	2.4
140.15250	0.4
148.69722	0.3
154.08585	0.6
155.07036	0.6
164.07077	49.9
165.07416	0.8
182.04462	0.3
182.08116	1.0
183.09267	0.3
189.61073	0.4
197.75337	0.3
202.26697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
54.04740	0.5
55.01868	2.7
55.05511	6.4
56.96554	0.8
57.00103	0.5
57.03437	1.1
57.07075	10.5
57.90907	0.5
59.04985	1.6
65.03938	2.8
65.05602	0.5
67.05498	3.9
68.99779	0.7
69.03432	2.7
69.07064	4.0
70.71396	1.6
71.04993	3.1
73.89686	0.6
77.03925	1.3
78.04704	2.0
79.05061	0.7
79.05494	11.7
81.03428	3.8
81.07051	9.4
82.04201	0.8
83.04980	21.4
83.08612	6.8
85.02893	1.3
85.06540	1.9
89.03899	1.3
90.04679	1.6
91.05478	14.1
92.06239	1.2
93.03400	1.2
93.07045	17.6
94.04177	0.5
95.04968	14.0
95.08611	4.8
97.02876	1.9
97.06528	13.2
97.10175	0.8
98.97579	8.6
99.04434	0.8
99.08077	0.8
103.05465	1.6
105.03437	0.8
105.04503	0.8
105.07027	5.5
106.04158	1.9
107.04948	6.6
107.07848	0.9
107.08588	13.4
108.05711	1.8
108.08118	0.5
109.06506	5.0
109.10154	1.5
110.03693	0.6
110.07334	0.6
111.04425	1.3
111.05562	1.0
111.08062	2.1
116.98628	5.8
117.07002	2.4
119.04860	0.7
119.08573	3.4
120.05725	1.3
121.02868	0.6
121.06512	7.4
121.10138	20.8
122.03699	1.1
122.06039	0.7
122.07261	0.7
123.04430	5.0
123.08058	3.6
123.11697	1.2
125.02312	0.6
125.05989	26.6
125.09676	0.9
126.05488	0.6
130.07796	1.4
132.05063	0.9
134.99614	2.2
135.04404	2.6
135.08073	3.0
135.11684	7.5
136.05190	2.2
136.07574	22.9
137.05969	13.6
137.09573	0.9
137.13231	0.7
138.03127	0.5
138.06749	6.4
139.05032	2.1
139.07523	1.1
139.11176	2.5
145.10121	6.7
148.05188	44.0
149.05930	2.0
151.03882	6.0
151.07524	0.6
153.05423	1.3
153.09120	0.6
154.06534	2.7
158.01207	0.6
163.03931	1.1
163.07483	1.0
163.11174	43.3
163.14812	2.8
164.07060	13.1
165.05475	1.6
166.02530	0.9
166.06277	2.1
171.06535	0.7
172.95297	0.5
177.51810	0.6
181.05232	4.2
181.08600	100.0
181.12144	17.3
181.15860	1.7
182.08945	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03959	3.1
55.01878	5.6
55.05515	3.1
56.96557	2.2
57.03441	0.6
57.07076	1.3
65.03943	2.8
67.05515	4.1
69.03433	2.9
69.07076	4.6
71.04984	2.0
71.09003	1.0
71.95249	1.2
73.40682	0.5
77.03925	1.1
78.04707	2.2
79.05502	9.4
81.03417	1.8
81.07052	4.8
82.04167	0.8
83.04985	3.9
83.08614	1.6
85.02888	1.4
85.06519	0.8
89.03912	1.8
90.04691	1.8
91.04958	0.9
91.05492	11.4
92.06303	1.1
93.03413	0.8
93.07055	19.6
95.04982	7.1
95.08610	4.6
97.02889	1.2
97.06540	3.9
98.97592	27.0
101.31712	0.5
103.05460	2.0
105.03448	0.8
105.04490	0.7
105.07058	3.2
106.04164	1.7
107.04964	8.1
107.08603	9.0
108.05723	1.5
109.06566	3.8
109.10168	0.9
110.03687	0.6
111.04469	1.4
111.08079	1.2
116.98634	15.5
117.07008	0.8
119.04946	1.1
119.08572	2.1
120.05765	1.3
120.16940	0.5
121.02906	0.7
121.06529	7.2
121.10155	20.2
122.03653	1.3
123.04450	5.9
123.08085	4.2
123.11731	0.7
125.05994	2.4
125.09631	0.5
128.97650	0.7
133.07607	0.6
134.99683	5.1
135.04410	2.3
135.08049	2.4
135.11725	4.9
136.05183	2.3
136.07599	1.0
137.05994	15.4
137.09621	1.4
138.03113	0.9
138.06795	6.2
139.07542	1.3
139.11211	5.9
140.00145	0.6
145.10118	3.4
148.05205	48.2
149.05943	1.7
151.03896	5.5
151.07483	0.7
153.07059	0.6
153.09123	0.8
158.01212	0.5
163.07539	1.9
163.11194	7.8
163.14853	0.8
164.07060	0.6
165.05511	1.8
166.06276	3.1
171.06497	0.8
173.44170	0.6
181.05190	5.4
181.08607	100.0
182.08940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03936	2.5
55.01874	14.3
55.05510	5.0
57.03428	1.9
59.04990	1.3
59.89058	0.8
65.03918	1.7
67.05508	5.9
69.03440	7.0
69.07083	2.2
69.26830	7.9
77.03938	1.0
79.05501	12.4
81.03395	1.2
81.07059	47.6
83.04977	3.1
85.02899	0.8
89.03926	0.9
91.04956	1.6
91.05483	20.8
93.07043	13.5
95.04975	5.5
95.08596	9.8
97.06496	1.5
98.21528	1.8
103.05483	0.9
105.03410	7.1
105.04506	1.2
105.07034	33.2
107.04935	1.8
107.08604	16.7
109.06523	19.4
109.10166	9.2
111.04433	1.1
115.05443	1.1
117.03286	0.9
117.07023	3.2
118.07793	1.1
119.04949	6.8
119.08584	11.8
120.08076	1.2
121.06513	5.2
121.10188	4.2
123.04451	7.9
123.08091	4.7
123.11695	2.1
125.06007	2.9
128.06224	2.5
131.08580	2.6
133.02863	4.5
133.06522	2.8
133.10133	35.8
134.10577	1.0
135.08029	1.2
135.11690	7.8
135.61125	0.8
137.05980	100.0
137.09590	10.8
137.13232	1.3
143.08629	5.7
146.07294	1.1
147.03419	0.9
147.04446	6.6
151.03929	1.1
151.07549	3.9
151.11166	2.5
161.05986	3.0
161.09610	20.9
161.13266	4.3
171.02986	0.9
179.03412	11.7
179.07216	4.9
179.10683	33.4
179.14206	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	181.0858
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
53.03933	2.2
54.04740	0.5
55.01868	2.7
55.05511	6.4
56.96554	0.8
57.00103	0.5
57.03437	1.1
57.07075	10.5
57.90907	0.5
59.04985	1.6
65.03938	2.8
65.05602	0.5
67.05498	3.9
68.99779	0.7
69.03432	2.7
69.07064	4.0
70.71396	1.6
71.04993	3.1
73.89686	0.6
77.03925	1.3
78.04704	2.0
79.05061	0.7
79.05494	11.7
81.03428	3.8
81.07051	9.4
82.04201	0.8
83.04980	21.4
83.08612	6.8
85.02893	1.3
85.06540	1.9
89.03899	1.3
90.04679	1.6
91.05478	14.1
92.06239	1.2
93.03400	1.2
93.07045	17.6
94.04177	0.5
95.04968	14.0
95.08611	4.8
97.02876	1.9
97.06528	13.2
97.10175	0.8
98.97579	8.6
99.04434	0.8
99.08077	0.8
103.05465	1.6
105.03437	0.8
105.04503	0.8
105.07027	5.5
106.04158	1.9
107.04948	6.6
107.07848	0.9
107.08588	13.4
108.05711	1.8
108.08118	0.5
109.06506	5.0
109.10154	1.5
110.03693	0.6
110.07334	0.6
111.04425	1.3
111.05562	1.0
111.08062	2.1
116.98628	5.8
117.07002	2.4
119.04860	0.7
119.08573	3.4
120.05725	1.3
121.02868	0.6
121.06512	7.4
121.10138	20.8
122.03699	1.1
122.06039	0.7
122.07261	0.7
123.04430	5.0
123.08058	3.6
123.11697	1.2
125.02312	0.6
125.05989	26.6
125.09676	0.9
126.05488	0.6
130.07796	1.4
132.05063	0.9
134.99614	2.2
135.04404	2.6
135.08073	3.0
135.11684	7.5
136.05190	2.2
136.07574	22.9
137.05969	13.6
137.09573	0.9
137.13231	0.7
138.03127	0.5
138.06749	6.4
139.05032	2.1
139.07523	1.1
139.11176	2.5
145.10121	6.7
148.05188	44.0
149.05930	2.0
151.03882	6.0
151.07524	0.6
153.05423	1.3
153.09120	0.6
154.06534	2.7
158.01207	0.6
163.03931	1.1
163.07483	1.0
163.11174	43.3
163.14812	2.8
164.07060	13.1
165.05475	1.6
166.02530	0.9
166.06277	2.1
171.06535	0.7
172.95297	0.5
177.51810	0.6
181.05232	4.2
181.08600	100.0
181.12144	17.3
181.15860	1.7
182.08945	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	Pygmaein
Peak:m/z	Relative Intensity
50.20780	0.5
53.03940	1.6
55.01620	0.9
55.01875	13.1
55.05500	3.0
55.90720	0.5
56.96560	0.8
57.03427	0.7
62.83760	0.5
63.79700	0.4
65.03933	1.1
67.05508	3.8
69.03417	3.4
69.07067	0.8
71.04987	0.5
71.37563	1.1
71.37904	0.5
79.05054	0.7
79.05497	11.1
81.03418	0.6
81.07062	35.7
83.04988	1.8
91.05486	15.5
93.07048	6.6
95.04981	3.8
95.08606	3.2
97.06531	0.9
103.05470	1.5
105.03403	1.9
105.07039	22.7
107.08595	7.0
109.06525	15.1
109.10162	7.3
111.04438	1.4
115.05434	1.0
117.03346	0.8
117.06967	2.8
118.07780	0.6
119.04935	4.8
119.07777	0.9
119.08586	11.2
120.08165	0.5
121.06497	3.9
121.10136	1.8
122.03645	0.9
123.04437	2.5
123.08090	1.9
123.11732	1.5
125.05971	1.7
128.06203	1.6
131.04897	0.7
131.08574	2.4
133.02838	1.4
133.06497	1.8
133.10136	23.7
135.08031	1.5
135.11684	0.8
136.05193	1.3
136.08887	0.9
137.05986	100.0
137.09605	12.2
138.06421	1.8
143.08603	2.8
145.02885	0.5
146.07309	0.9
147.03419	1.1
147.04437	4.8
147.08054	1.9
149.06056	0.5
151.03868	1.0
151.07550	4.5
151.11177	2.2
161.06000	2.1
161.09631	14.4
161.13287	1.6
166.40436	0.5
179.03410	5.7
179.07198	4.7
179.10678	15.5
179.14323	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03936	2.8
55.05514	9.7
57.07072	2.6
57.50407	1.1
67.05511	7.3
67.44086	1.2
67.55264	0.9
69.06714	1.7
69.07070	23.8
69.38315	9.4
73.45689	1.0
78.04692	2.0
78.93855	1.0
79.05502	16.3
81.07068	17.3
83.08633	14.0
87.75316	1.0
89.03921	22.6
91.05487	11.9
93.07052	38.7
95.04969	2.5
95.08611	42.9
97.10178	3.2
98.01690	1.1
98.98505	5.0
103.05476	2.2
105.07018	9.1
106.04182	4.4
107.08601	66.6
109.06536	2.0
109.10165	12.8
117.03387	39.8
117.07021	1.7
118.03820	1.1
119.08588	3.2
121.06531	3.1
121.10150	100.0
122.10484	1.8
123.08010	1.6
131.08589	2.9
133.10120	2.5
134.03685	5.2
135.04449	1.9
135.08138	1.1
135.10696	1.6
135.11687	18.0
145.02850	49.2
145.10573	2.1
149.02338	1.2
149.06024	10.9
149.13263	5.4
151.07083	1.0
159.11699	3.1
162.03116	1.9
177.05482	18.0
177.09105	3.4
177.12837	6.3
177.16403	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03934	4.3
55.05268	1.3
55.05516	18.3
57.07069	2.2
60.44330	1.1
65.03929	1.4
65.07849	1.2
67.05505	10.0
69.07078	26.7
70.92188	2.8
74.87348	1.1
77.51692	1.2
78.04709	2.7
79.05499	20.1
81.07059	22.8
83.08627	17.3
85.06546	1.7
89.03928	26.9
91.05486	16.8
93.07054	58.0
94.07347	1.8
95.04974	3.1
95.08616	51.0
97.10172	4.6
98.98470	2.7
103.05467	2.9
105.07034	10.2
106.04169	2.8
107.08604	82.8
109.06568	1.7
109.10173	18.5
117.03391	44.1
117.07085	1.6
118.95600	1.3
119.08574	6.6
121.06522	3.9
121.10152	100.0
124.70879	1.2
131.04939	1.3
131.08574	2.6
133.10162	1.8
134.03635	7.3
135.04480	2.4
135.10706	1.6
135.11705	26.0
145.02863	53.6
145.10602	1.4
146.03096	1.4
149.02385	1.8
149.05995	17.3
149.13281	7.6
159.11688	2.6
162.03137	4.0
163.03951	1.8
167.03410	1.3
177.05470	19.5
177.09106	2.7
177.12881	3.9
177.16408	66.5
178.16655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.95459	0.9
53.03933	2.9
55.05514	17.7
56.96568	5.9
57.07061	3.6
65.03925	1.6
67.05508	14.0
69.07072	33.1
71.06869	2.6
79.05498	30.0
81.07061	42.2
83.08617	14.4
85.06555	1.7
89.03912	4.3
91.05479	17.6
93.07050	68.0
95.04985	2.7
95.08612	68.9
97.10186	6.7
98.98485	8.7
103.05466	1.4
105.07035	11.5
107.08601	69.4
108.08909	1.1
109.06497	1.5
109.09480	1.1
109.10171	20.8
114.00530	1.2
117.03381	7.9
117.07032	2.6
119.08593	6.3
121.06511	7.4
121.10149	100.0
122.10474	1.4
129.07086	1.1
131.08571	4.8
133.06500	2.1
133.10126	3.6
134.03651	1.7
134.07217	1.4
135.04448	1.2
135.08055	2.2
135.11700	22.0
144.09303	2.0
145.02850	10.4
145.10542	2.0
149.02354	2.4
149.06035	5.0
149.09579	1.1
149.13269	6.1
150.05516	1.1
155.07222	4.7
159.11729	7.9
161.09808	1.1
162.03149	1.4
164.07802	3.5
177.05481	10.7
177.09167	2.9
177.12785	19.4
177.16394	64.2
178.08601	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03931	3.3
55.01870	6.3
55.05514	5.4
56.96561	1.4
57.07069	3.0
65.03918	3.9
67.05505	8.4
69.03423	2.4
69.07065	12.2
69.30589	9.3
71.05003	7.2
78.04696	1.4
79.05501	16.8
81.07063	17.9
83.04984	1.5
83.08618	4.5
85.06541	2.5
85.08416	1.3
86.06891	2.1
89.03930	7.8
91.05483	100.0
93.07047	45.3
95.04977	3.8
95.08615	17.6
97.06515	4.8
97.10130	1.5
98.98470	13.4
103.05463	4.5
105.07035	30.1
106.04183	1.9
107.04957	3.5
107.08596	47.9
109.06510	2.7
109.10179	5.9
114.26984	1.0
115.05401	1.4
117.03384	10.4
117.07021	11.4
119.08592	12.9
121.02876	2.6
121.06515	27.1
121.09312	2.3
121.10147	37.4
123.08086	1.8
129.06979	4.2
130.07793	1.6
131.01895	1.2
131.04947	2.1
131.08574	19.7
133.06496	1.6
133.10136	39.3
134.03616	2.6
135.04427	2.4
135.08055	7.0
135.11696	26.4
144.09341	7.8
145.02856	14.8
145.10510	3.1
149.02348	5.4
149.05988	12.2
149.09671	3.3
149.13280	13.1
157.10162	1.4
159.04358	1.4
159.08052	1.5
159.11699	49.0
160.12076	1.2
160.27257	1.2
162.03146	3.9
162.10378	1.3
163.03879	1.2
167.03380	3.0
177.05475	23.3
177.06802	1.7
177.09167	3.8
177.12755	88.7
177.16339	15.6
178.13165	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03951	3.3
55.01880	1.2
55.05509	2.8
59.30715	0.6
63.02386	1.9
65.03948	1.4
67.05505	2.4
69.03445	0.7
69.07072	4.4
69.48019	4.1
69.48427	1.6
70.95311	0.7
77.03922	1.3
78.04717	7.0
79.05482	4.1
81.07059	5.1
81.78330	0.6
83.08620	2.7
89.03924	51.7
91.05486	11.6
93.07055	8.9
95.04974	3.1
95.08613	6.8
95.09608	0.7
98.98476	2.2
103.05460	4.4
105.03381	0.9
105.04477	1.1
105.07020	1.9
106.04186	22.4
107.05000	1.0
107.08598	10.0
109.10169	2.8
113.96966	0.7
117.03389	81.4
117.07023	2.0
118.03701	1.2
119.04951	1.3
119.08576	1.7
121.06514	7.6
121.10149	17.8
131.04948	1.5
131.08589	1.7
133.06477	0.8
133.10162	1.0
134.03641	12.0
135.04430	5.5
135.08034	1.1
135.11679	3.5
145.02855	100.0
145.10538	1.9
146.03227	3.1
146.07288	1.1
149.02391	1.0
149.05992	31.4
149.13184	0.8
150.06343	0.7
159.11697	1.5
162.03076	4.3
163.03891	1.7
177.05481	33.9
177.09099	2.5
177.12885	4.2
177.16393	9.0
186.05478	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03946	1.5
55.05505	1.1
56.96563	0.6
63.02379	1.2
64.48536	0.5
67.05515	1.6
67.63905	0.5
69.03432	0.7
69.07070	2.0
69.30210	4.5
78.04716	4.2
79.05487	1.8
80.19622	0.5
80.94263	0.5
81.07059	2.7
83.08624	0.8
89.03921	46.0
91.05479	5.7
93.07056	5.1
94.88365	0.5
95.04981	1.0
95.08602	3.3
98.98483	1.6
103.05470	2.2
105.03381	0.8
105.07059	1.8
106.04199	5.3
107.08595	5.2
109.10145	0.9
117.03386	83.9
118.03722	1.6
119.04985	0.7
119.08577	0.9
121.06519	4.1
121.10143	7.4
124.05179	0.7
129.36327	0.5
131.04929	0.8
131.08598	0.6
134.03635	11.5
135.04439	5.9
135.08063	0.8
135.11711	1.6
145.02852	100.0
145.10509	0.9
146.03181	2.1
149.05988	27.8
149.13266	0.8
152.57674	0.5
156.88007	0.5
158.06088	1.1
159.11687	1.3
162.03145	6.4
163.03941	2.4
177.05481	31.5
177.09067	1.0
177.12776	3.0
177.16432	3.4
178.05910	0.6
182.18196	0.5
186.05550	2.7
191.19809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03933	1.0
55.01871	0.7
55.05516	2.0
61.53522	0.5
61.69314	0.5
63.02392	1.4
65.03951	1.0
67.05495	1.1
69.07063	2.3
69.26734	4.3
77.03910	0.7
78.04726	3.9
79.05499	2.2
81.07064	2.8
83.08624	1.6
89.03923	49.4
91.05503	6.3
93.07064	6.0
95.04980	1.1
95.08607	4.7
97.10173	0.5
98.98502	0.9
99.97392	0.6
103.05473	2.0
105.03404	0.6
105.04541	0.6
105.07001	0.9
106.04181	5.4
107.04963	0.9
107.08599	7.2
109.10172	1.8
115.64047	0.6
117.03388	86.4
118.03692	1.4
119.08601	0.6
121.06526	1.8
121.10148	10.1
121.11008	0.7
124.05209	0.6
131.08595	0.7
134.03642	9.4
135.04439	4.1
135.11711	2.4
145.02856	100.0
145.10638	0.6
146.03224	2.5
147.04448	0.8
149.05988	28.1
149.13284	1.1
150.06248	0.6
158.06035	0.9
162.03145	1.9
163.03894	1.3
177.05482	24.5
177.08934	0.8
177.12811	1.9
177.16423	5.2
178.05862	0.7
186.05501	1.6
199.57953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.14335	0.5
53.03955	1.1
60.03991	0.5
63.02377	1.6
67.05489	0.7
68.62759	0.7
69.07053	1.1
70.72851	1.3
78.04714	3.4
79.05492	1.6
81.07053	0.8
89.03920	48.7
90.04256	1.3
90.27412	0.6
91.05486	5.1
93.07056	2.6
95.04983	0.9
95.08613	1.3
98.98460	0.6
103.05480	1.2
105.07046	1.0
106.04187	4.1
107.04977	1.8
107.08607	2.7
117.03384	85.1
117.07033	1.6
118.03754	0.7
119.08523	0.5
121.06506	1.9
121.10158	4.0
124.05238	0.7
131.08565	1.4
134.03647	10.0
135.04427	3.7
145.02850	100.0
145.10564	1.0
146.03160	2.8
149.05984	25.6
149.09583	0.9
150.06354	0.6
159.11684	0.8
162.03099	1.7
163.03940	1.6
177.05476	23.5
177.09161	1.4
177.12808	1.7
177.16470	0.8
179.50441	0.5
186.05498	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	0.6
51.21460	0.5
53.00328	0.6
53.03959	1.1
63.02358	2.6
69.24505	4.4
70.96913	0.5
78.04727	4.4
79.05492	1.0
81.07059	0.7
83.54267	0.5
89.03926	47.2
90.04272	0.7
91.05501	4.6
93.07055	1.8
95.04987	0.8
98.12007	0.5
98.98502	0.7
103.05477	1.7
105.03451	0.9
106.04182	4.8
107.08590	1.3
117.03393	83.7
118.03727	1.9
119.04945	0.9
121.06537	1.7
121.10165	1.8
129.04539	0.7
131.08574	0.7
134.03656	9.7
135.04477	4.7
135.08072	0.6
135.11726	0.8
145.02859	100.0
145.10553	1.4
146.03227	1.9
149.05998	25.5
150.06288	0.7
158.06000	0.6
159.08084	0.5
159.11684	0.6
162.03185	1.6
163.03973	1.3
177.05484	22.6
177.09073	1.5
177.12833	1.8
177.16440	0.7
181.17917	0.5
182.51634	0.6
186.05522	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02389	1.0
53.03952	5.3
55.01876	0.9
55.05495	1.3
57.41729	1.0
63.02361	1.2
65.03938	5.7
67.05487	1.7
69.07057	2.5
69.99046	4.6
77.03928	2.1
78.04711	5.0
79.05492	9.6
81.03406	1.9
81.07043	3.3
83.08603	1.7
88.02196	1.0
89.03922	21.3
89.26791	1.0
91.05482	36.2
93.03419	1.2
93.07064	8.5
95.04985	5.2
95.06102	1.2
95.08617	4.6
98.21555	1.1
98.98469	10.2
103.05467	6.1
105.04486	2.0
105.07034	6.9
106.04175	7.5
107.04967	2.5
107.08595	7.7
109.07681	1.0
109.10139	1.8
117.03387	21.5
117.06994	2.0
118.04175	11.9
119.04965	4.3
119.08560	4.2
121.02887	11.0
121.06509	100.0
121.10139	8.9
122.07062	1.5
129.06897	1.0
131.04942	0.9
131.08563	3.1
133.02863	2.5
133.10135	2.0
134.03647	12.3
134.07089	1.1
135.04367	3.0
135.06660	1.6
135.08115	2.2
135.11662	2.8
136.08746	1.4
137.09552	2.2
145.02855	43.9
145.03918	2.7
145.10516	0.9
146.03230	1.0
147.04416	3.4
148.05164	3.7
149.02350	1.8
149.05989	20.6
149.09584	2.1
149.13229	2.1
159.04477	1.2
159.08055	1.5
159.11711	2.2
161.09615	1.8
162.03143	5.7
167.03352	1.5
177.05467	51.2
177.09052	3.0
177.11316	2.6
177.12781	8.5
177.16383	4.7
180.04169	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	1,3,8-Naphthalenertriol
Peak:m/z	Relative Intensity
53.03954	3.2
55.01868	4.0
55.05494	1.5
55.69847	0.5
61.32717	0.5
65.03931	4.3
67.05486	1.5
68.05017	0.9
68.99795	4.7
69.07054	2.1
69.49848	0.5
77.03893	0.7
78.04705	2.8
79.05498	5.7
81.03413	1.2
81.07056	5.3
83.08616	1.8
89.03925	4.1
91.04960	1.1
91.05482	13.9
93.03409	5.1
93.07047	9.9
95.04977	4.3
95.06084	1.3
95.08611	3.6
98.98469	7.0
103.04812	0.7
103.05476	11.5
105.04498	1.1
105.07030	2.1
106.04170	5.0
107.04977	3.4
107.08604	6.2
108.05568	0.7
109.06490	1.0
111.09158	0.7
115.05374	0.7
117.03375	4.6
117.07006	1.6
119.04942	1.8
119.08568	1.5
121.02840	1.1
121.06516	24.6
121.10148	8.3
122.07125	1.0
131.04964	3.0
131.08572	1.8
134.03647	18.2
134.07179	0.8
135.04379	2.8
135.06662	1.4
135.08076	0.8
135.11703	2.0
136.08688	2.0
137.09515	1.0
143.74399	0.6
144.09299	0.7
145.02866	5.6
145.10504	1.8
147.04401	1.8
149.02348	1.2
149.05992	14.0
149.09602	1.2
149.13222	0.9
150.06602	0.8
159.05515	1.3
159.08072	1.0
159.11707	2.0
160.08725	0.7
162.03133	48.6
163.03935	6.8
177.05476	100.0
177.11328	3.1
177.12782	4.1
177.16379	5.3
178.06143	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	176.1283
Annotation	(-)-Echinobetaine A
Peak:m/z	Relative Intensity
50.99383	0.9
53.03952	16.8
55.05511	4.6
55.81254	0.8
56.05015	2.0
56.96572	5.6
57.03435	9.2
58.06594	1.0
70.06589	3.6
70.19975	3.7
70.92896	0.7
71.04994	8.0
73.02914	1.0
76.88966	0.8
81.03400	3.2
82.06580	1.0
84.08144	32.5
85.02898	1.2
85.06548	48.6
85.08460	0.9
85.08929	10.4
89.06021	5.0
97.02891	1.0
98.09696	18.7
98.97588	15.8
99.04463	19.6
100.11259	7.0
102.09185	26.1
107.04985	1.0
110.97558	0.8
112.07648	1.2
113.06019	2.9
116.10727	1.6
116.98647	5.8
124.70486	0.8
126.09158	7.2
128.02295	0.9
128.98647	1.1
131.07039	12.3
134.99675	1.8
144.10204	100.0
145.02859	1.1
145.10558	1.5
145.98560	0.8
158.11740	2.3
158.99641	1.2
159.03210	0.9
176.12837	38.2
177.13197	0.8
181.99158	0.8
197.95705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68677	0.4
52.29313	0.4
56.59156	0.4
56.96569	11.0
60.28456	0.4
70.78142	1.2
71.95265	2.5
74.41563	0.4
76.12796	0.5
89.03912	0.4
98.97591	100.0
99.97939	0.7
113.00889	1.1
116.98633	45.0
117.98962	0.6
124.50047	1.0
131.01933	1.1
134.99661	11.9
136.93112	0.4
140.00177	0.9
147.86206	0.4
153.00673	1.0
154.03441	0.8
154.94237	1.0
158.01263	0.6
158.99777	0.5
163.86737	0.4
177.00839	1.0
189.57675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1282
Annotation	(-)-Echinobetaine A
Peak:m/z	Relative Intensity
53.03710	1.0
53.03949	18.0
53.49332	0.8
55.05518	6.0
55.98226	1.0
56.05016	0.9
57.03440	9.8
69.86612	4.0
69.87024	1.8
70.06583	3.7
71.04993	5.7
74.33266	0.9
81.03409	3.3
84.08148	32.7
85.06549	50.2
85.08919	11.4
89.06049	4.7
96.08055	1.4
98.09703	18.7
99.04460	16.6
100.11273	6.7
102.08543	1.9
102.09187	27.6
108.08108	1.0
113.05984	2.0
116.10722	2.4
120.00227	0.9
126.09177	10.9
131.07040	14.7
144.10202	100.0
145.10574	1.4
158.11794	2.6
176.12837	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03744	1.2
53.03953	16.6
55.05506	4.5
56.05032	1.6
56.96523	1.8
57.03440	7.2
58.06587	1.0
70.06580	3.8
70.58645	2.3
71.04999	5.2
81.03405	3.0
84.07636	1.2
84.08151	30.4
85.06549	50.6
85.08929	11.7
89.06047	4.9
98.09702	19.3
98.20894	1.1
98.97584	4.2
99.04475	16.8
100.11256	5.9
102.09193	23.5
113.06004	2.5
116.10722	2.3
116.98621	1.9
126.09190	7.7
126.09964	1.2
131.07062	12.2
144.10208	100.0
145.10555	3.6
158.11784	3.5
176.12842	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03710	1.0
53.03949	18.0
53.49332	0.8
55.05518	6.0
55.98226	1.0
56.05016	0.9
57.03440	9.8
69.86612	4.0
69.87024	1.8
70.06583	3.7
71.04993	5.7
74.33266	0.9
81.03409	3.3
84.08148	32.7
85.06549	50.2
85.08919	11.4
89.06049	4.7
96.08055	1.4
98.09703	18.7
99.04460	16.6
100.11273	6.7
102.08543	1.9
102.09187	27.6
108.08108	1.0
113.05984	2.0
116.10722	2.4
120.00227	0.9
126.09177	10.9
131.07040	14.7
144.10202	100.0
145.10574	1.4
158.11794	2.6
176.12837	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	7.7
57.50550	1.9
60.08180	5.3
67.05510	13.1
70.06612	2.1
70.64022	4.2
71.04996	2.3
85.06551	100.0
87.04487	2.4
98.06046	2.6
98.97598	3.4
102.05568	12.3
102.09155	2.2
103.05882	11.3
103.06470	2.6
104.05965	16.3
115.83815	2.0
117.05481	7.0
130.12282	4.9
131.07076	4.5
132.02130	85.7
143.10704	2.1
150.36000	2.2
176.01122	14.3
176.11737	63.5
176.12894	39.4
195.94527	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	176.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.0
55.01842	1.3
55.05476	3.8
57.03400	4.0
58.06564	1.7
59.30452	1.2
67.05482	1.9
69.03445	6.6
69.03740	2.2
69.07028	2.4
70.02852	6.0
70.06548	2.3
71.04955	4.7
79.05467	2.1
83.04919	2.1
84.08154	13.9
85.06550	34.1
85.08889	5.4
89.03870	2.0
89.05966	3.4
91.05487	32.0
92.05744	2.0
93.06984	3.2
97.08451	1.4
98.09705	9.2
98.98407	4.9
99.04458	10.0
100.11205	4.1
102.09180	14.8
103.05445	2.6
105.07037	67.4
106.07317	7.7
107.08550	2.4
115.05342	1.8
116.10682	1.2
117.03339	2.8
117.06953	3.3
118.06464	1.3
119.04948	45.6
119.08594	14.9
120.08912	13.9
121.06438	5.5
121.10133	1.4
126.09092	5.3
128.06227	11.6
130.06487	2.4
131.04793	1.4
131.07047	8.0
131.08493	4.6
133.05432	1.2
133.06488	15.5
133.10141	17.3
134.10493	8.2
135.07944	1.1
142.07701	1.4
143.08575	19.2
144.10205	43.3
145.02771	2.6
145.06476	1.4
147.11646	2.9
148.08736	1.1
148.12068	1.3
149.05885	2.1
149.54385	1.2
161.09624	100.0
162.09883	1.4
175.11150	9.5
176.06915	2.5
176.11850	85.8
176.15092	5.0
177.05437	7.8
177.12352	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	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.05513	9.5
56.23658	1.4
60.38303	1.2
65.03941	2.5
67.05499	5.7
67.15960	1.2
69.07075	14.9
69.35190	6.9
69.35609	3.5
78.45024	1.2
79.05506	6.8
81.07063	34.3
81.29402	1.3
83.08677	2.6
84.08161	1.7
85.06539	3.1
91.05488	23.6
93.07034	12.9
95.08621	23.6
97.08485	1.3
98.98479	14.6
102.09176	2.0
104.06245	1.9
105.07037	51.8
107.08607	14.2
115.05472	1.5
117.07008	5.7
119.04945	2.2
119.08593	100.0
120.08926	1.3
121.10117	2.9
126.74042	1.3
129.06998	1.8
129.11040	1.4
131.08554	9.8
133.10143	79.5
144.10197	5.9
145.10159	5.1
146.10892	2.4
147.11696	18.7
160.05228	1.4
160.12512	2.5
173.13231	2.0
175.03920	12.7
175.07556	4.4
175.11537	9.7
175.14844	94.3
176.12843	1.5
176.15163	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02400	0.4
53.03957	0.9
54.34940	0.4
55.05518	2.8
67.05510	1.4
69.07074	3.2
69.58299	1.2
69.58727	1.4
79.05514	2.5
81.07053	5.8
81.07453	0.5
83.08643	0.7
85.06551	1.6
91.05488	9.6
93.07053	3.5
95.08606	4.4
95.51450	0.5
97.02913	0.4
97.08475	0.5
98.09684	0.7
98.21439	0.4
98.98476	7.7
102.09159	0.5
105.07040	28.0
106.07338	0.6
107.08590	3.6
109.10173	0.4
115.05511	0.5
117.07022	2.8
119.08588	36.9
121.10186	0.7
129.07037	0.6
129.11053	1.0
131.08571	3.5
132.09325	1.4
133.10136	100.0
134.10452	2.6
137.68373	0.5
142.07825	0.7
144.10219	1.9
145.10155	1.7
146.10924	0.6
147.04449	0.6
147.11702	7.8
158.34749	0.4
159.11673	0.5
160.12534	1.0
173.13263	0.7
175.07574	1.4
175.11392	3.4
175.14832	33.3
176.12836	0.8
176.15260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03934	1.6
55.05519	7.9
57.07074	1.2
59.70650	0.8
67.05509	2.8
69.07078	19.6
69.48025	5.4
73.11689	0.9
79.05478	2.6
81.07069	6.0
83.08616	5.1
83.12455	1.0
87.98284	0.8
90.62595	0.7
91.05486	11.3
93.07046	4.7
95.08626	7.3
98.98468	2.0
105.07043	26.8
107.08604	4.5
115.05459	0.9
117.07013	3.2
118.09589	0.8
119.04974	1.2
119.08588	86.9
121.10181	2.0
131.08563	4.2
132.09288	1.0
133.10139	76.0
134.10480	1.6
135.11705	1.4
144.10243	1.9
145.10136	7.8
146.10944	1.1
147.11700	11.9
150.56522	0.8
159.11703	1.0
160.12488	5.4
173.13290	3.1
175.07599	1.0
175.11690	4.7
175.14838	100.0
176.15152	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03939	1.4
55.05523	8.2
67.05497	2.6
69.06716	1.8
69.07072	23.4
69.27544	10.9
69.27859	1.5
70.35307	1.2
79.05482	4.8
81.07063	17.4
83.08617	3.7
91.05491	13.6
93.07041	5.8
95.08617	11.4
98.98475	2.1
102.05528	1.5
105.07037	38.9
107.08614	6.4
107.66901	1.2
112.82319	1.1
115.05394	1.6
117.07030	3.6
119.08589	100.0
120.03963	1.0
120.08928	1.9
121.10128	3.1
131.08554	6.6
133.10138	94.2
134.10464	2.2
135.11725	1.2
144.10213	4.7
145.10135	6.6
146.10864	1.6
147.04350	1.8
147.11690	15.5
160.12457	4.0
173.13258	2.6
175.07561	1.9
175.11452	5.2
175.14836	94.5
176.15155	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05517	8.1
57.07083	1.0
67.05515	2.6
69.07074	26.4
79.05495	2.1
80.00015	0.7
81.07075	6.2
83.08605	4.5
86.93150	0.6
91.05485	9.7
93.07050	2.9
95.08623	6.0
98.20779	1.5
105.07037	24.3
107.08620	4.5
115.05507	0.7
117.07024	3.5
118.07774	0.8
119.08591	91.5
120.08856	0.8
121.10163	3.4
131.00526	0.7
131.08582	4.0
132.09360	0.6
133.10143	77.7
134.10492	2.0
135.11661	0.8
143.08591	0.6
145.10144	6.8
146.10912	2.0
147.11696	10.7
158.10922	0.6
160.12451	4.1
173.13297	2.7
173.96037	0.6
174.46179	0.6
174.89986	0.6
175.14838	100.0
176.15178	2.5
176.62363	0.7
185.08908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03932	2.6
55.01859	0.9
55.05512	7.6
56.96565	6.6
57.03436	1.1
59.05017	1.2
65.03923	1.2
66.18563	0.9
67.05510	3.9
69.03410	2.4
69.07069	10.0
69.78652	3.7
69.98119	0.7
70.06586	1.8
71.04988	1.4
71.75060	0.7
71.87067	0.8
74.93153	1.1
79.05500	6.2
79.35123	0.7
81.07062	17.1
83.04973	3.5
83.08620	1.6
84.08145	4.0
85.02894	1.1
85.06551	4.8
91.05485	24.3
92.05804	0.8
92.90060	1.3
93.07051	7.4
95.04967	2.0
95.08612	10.8
96.08154	1.2
97.02882	2.7
97.08471	2.1
98.03673	0.9
98.09699	1.5
98.20827	1.5
98.98472	70.8
99.04436	1.9
102.09187	3.2
103.05428	2.0
105.07034	93.4
106.07331	1.1
107.08601	8.5
111.04479	1.0
115.03939	1.3
115.05442	2.9
116.06255	0.9
116.99495	1.4
117.07027	6.7
119.04949	15.1
119.08585	100.0
120.96539	0.7
121.06537	1.9
121.10143	1.9
125.02280	0.9
127.03934	1.7
127.21247	0.7
128.06160	1.2
129.07002	10.2
129.11040	3.6
130.06506	1.6
131.08582	9.0
132.05734	0.9
132.09300	0.9
133.06483	4.8
133.10138	63.0
139.03995	0.9
139.05849	0.8
141.06979	3.1
142.07782	44.4
144.09276	1.0
144.10237	8.6
145.06496	1.7
145.10126	5.2
146.07283	2.1
147.04411	2.7
147.08073	4.6
147.09047	0.8
147.11687	14.1
151.93959	1.5
154.06424	1.7
157.04268	1.1
157.10138	58.6
158.10484	2.1
160.05159	1.6
160.08875	4.6
160.12500	2.0
169.07648	1.0
175.03894	3.1
175.07616	10.6
175.11195	97.5
175.14809	51.4
176.11440	2.2
176.12814	4.1
176.15280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.05514	9.2
56.96561	1.2
67.05174	0.9
67.05494	4.5
69.07068	14.5
69.80650	4.6
79.05496	9.3
81.07061	77.1
83.08617	2.7
84.08134	1.1
91.05488	24.7
93.07049	12.8
95.08605	28.9
98.98470	5.5
103.05486	1.4
105.07035	61.7
107.08597	19.6
109.10201	1.3
114.40096	0.9
115.05433	1.3
117.07029	7.3
118.07803	1.1
119.08588	81.1
120.08901	1.2
121.10134	2.4
129.11104	1.1
131.08580	9.4
132.09338	5.7
132.67509	0.8
133.10138	74.7
134.04916	0.9
134.10445	1.1
142.07762	1.2
144.10219	3.1
145.06508	0.9
145.10097	4.3
146.10934	1.7
147.11696	13.5
157.10118	1.6
160.05157	2.3
160.08775	1.3
160.12489	3.6
173.13345	1.6
175.03871	1.1
175.07533	2.2
175.11380	8.9
175.14833	100.0
176.12807	1.9
176.15173	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.03732	0.9
53.03942	1.5
54.44261	1.0
55.05515	10.4
67.05496	4.7
69.07071	16.0
71.31023	1.4
71.31360	2.0
79.05505	8.8
81.07059	63.7
83.08595	3.5
91.05486	22.9
93.07043	13.8
95.08613	28.7
98.98447	4.8
103.05450	1.0
105.07036	62.4
107.08604	21.3
117.07027	6.5
119.04966	1.3
119.08586	87.3
121.06476	1.8
121.10133	1.9
122.85165	1.0
125.65727	1.1
131.08589	8.9
132.09367	3.6
133.10136	82.1
134.10603	1.1
139.94136	1.0
142.07756	2.6
145.10097	5.5
146.10909	4.0
147.08040	1.1
147.11676	13.9
160.05290	1.1
160.08905	1.5
160.12538	2.6
171.52065	1.1
173.13300	3.4
175.07594	2.1
175.11371	6.8
175.14833	100.0
176.15352	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	174.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.1
56.05027	1.0
57.03427	0.8
57.07078	22.7
58.06607	4.8
58.89394	0.6
60.04522	1.5
62.05791	1.2
62.06095	16.9
67.05511	1.1
69.07057	2.8
69.38470	4.9
70.20659	0.6
71.08632	15.8
76.85001	0.8
79.05468	0.8
81.07041	2.9
83.04991	3.5
85.08916	1.0
90.74525	0.7
91.05479	4.2
91.21214	0.6
93.07065	1.2
94.20356	0.7
95.08619	1.3
96.08127	8.1
97.02877	2.0
98.09660	1.3
98.98472	1.8
101.06004	1.2
102.05546	17.9
102.09187	3.2
105.07033	7.0
107.08603	1.0
110.06110	1.2
114.05533	1.9
117.07007	0.9
118.06590	1.0
118.07418	0.9
119.04957	1.1
119.08588	13.5
128.10727	15.8
129.07057	1.2
131.08517	2.2
132.08911	2.3
133.10141	12.2
144.08914	1.3
145.10173	0.9
146.05959	0.7
146.10493	1.8
147.11688	1.9
156.17479	14.5
157.10123	0.9
159.11295	0.9
160.05269	0.9
160.12503	0.8
174.07642	1.8
174.11273	51.0
174.13515	4.7
174.18539	100.0
175.07620	1.6
175.11461	1.4
175.14827	13.1
175.18819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0391
Annotation	Lawsone
Peak:m/z	Relative Intensity
50.38684	0.4
53.51064	0.3
55.05500	1.0
56.38834	0.4
58.96828	0.4
62.50779	0.3
63.02378	1.0
65.03933	1.0
67.05500	0.8
68.99798	0.7
69.07082	1.9
70.11924	1.5
79.05504	0.9
81.07063	3.0
83.08602	0.7
89.03922	24.9
91.05484	7.7
93.07050	1.1
93.58486	0.3
94.15427	0.3
95.08630	1.8
98.21434	0.5
98.98476	1.7
105.06383	0.5
105.07044	5.9
106.05309	0.3
107.08595	1.4
109.61224	0.4
117.03387	8.6
117.07011	0.9
119.04959	4.1
119.07790	0.7
119.08594	11.9
119.09455	0.6
124.35391	0.3
129.06956	0.3
133.06477	0.4
133.10136	9.9
135.04437	1.8
135.39003	0.4
145.06543	1.2
145.10146	0.9
147.04424	15.4
147.11693	2.4
148.04787	0.4
149.11433	0.4
157.10109	0.5
175.03918	100.0
175.11424	1.7
175.14830	10.9
176.04276	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	175.0388
Annotation	Lawsone
Peak:m/z	Relative Intensity
50.91252	0.3
50.91829	0.3
55.05518	1.6
56.96556	0.4
58.16754	0.2
63.02369	0.3
65.03955	2.2
66.46603	0.3
67.05513	0.6
69.06776	0.3
69.07079	3.6
69.47040	0.5
69.47445	1.5
70.06617	0.3
79.05497	1.5
81.07061	2.9
81.23273	0.3
83.08627	0.3
85.06573	0.3
89.03913	1.8
91.05489	7.7
93.07056	1.6
95.08616	2.0
97.08525	0.4
98.98470	2.0
105.03416	0.5
105.07040	8.2
107.04966	2.0
107.08585	1.0
115.05466	0.4
117.03384	0.8
117.07004	1.0
119.04955	4.2
119.08596	16.8
121.10106	0.6
128.06313	0.3
129.07010	1.5
129.11108	0.3
131.08583	2.2
133.06506	0.4
133.10139	15.4
142.07796	0.6
144.10239	0.5
145.02876	1.6
145.10161	1.3
147.04407	1.6
147.08043	0.4
147.11714	2.8
150.91435	0.3
157.10162	1.5
160.05246	0.7
160.12471	0.5
161.02443	0.3
175.03923	100.0
175.11256	4.2
175.14839	13.7
176.04250	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	174.1126
Annotation	Swainsonine
Peak:m/z	Relative Intensity
50.20263	0.3
55.05499	1.0
55.93878	0.3
56.05031	1.9
58.06591	1.1
63.55866	0.3
69.03423	0.3
70.06586	0.5
70.63792	0.6
70.64169	0.5
72.08152	1.5
74.06081	0.8
83.04984	5.4
84.08150	0.5
85.06522	0.4
85.08932	0.8
94.36793	0.3
96.08125	2.4
98.09721	1.7
98.10236	0.3
101.06023	2.6
102.05547	37.8
102.09184	4.7
103.05861	0.4
111.04453	0.5
116.20827	0.3
128.10718	9.0
136.67766	0.3
136.99229	0.3
144.19933	0.3
146.11763	0.4
165.72850	0.3
174.11269	100.0
175.11624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1126
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
55.05509	2.4
56.05035	2.1
56.96563	1.0
58.06609	1.4
59.04990	0.8
59.89756	0.4
61.59458	0.4
68.05038	0.6
69.83626	2.4
70.06608	2.9
72.04513	1.1
72.08155	2.3
73.02897	0.5
74.06091	0.7
79.05483	0.5
81.05785	1.6
82.06587	0.8
83.04987	12.7
84.08154	3.3
85.06544	1.1
85.08929	6.5
88.03985	0.9
96.08134	39.9
98.09702	10.4
99.10515	0.6
100.07599	1.5
100.11254	0.9
101.06020	4.6
102.05544	22.5
102.09180	16.7
110.09683	2.2
111.04451	0.5
114.09145	0.6
122.76533	0.5
126.09167	0.7
128.10721	62.8
129.05530	1.2
129.11050	0.6
134.10542	0.4
142.08630	1.4
145.01749	0.5
146.11624	0.4
156.10202	4.0
163.02815	0.5
174.11263	100.0
175.11496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03942	1.1
55.01866	0.7
55.05516	9.5
56.96539	0.7
57.07104	0.8
57.76255	0.7
59.04993	1.4
66.23549	0.6
67.05514	3.3
70.06589	0.9
71.58458	0.7
72.08164	0.8
79.05509	3.4
81.07067	8.2
83.04984	7.6
84.04539	0.7
87.04514	0.6
90.90408	1.7
91.05488	17.2
93.07053	8.4
95.04969	0.7
95.08624	1.1
96.08117	3.9
98.09698	1.4
99.04514	1.0
100.07651	0.8
101.06033	5.9
102.05544	1.6
102.09185	2.9
103.03255	1.2
103.05478	1.2
105.07040	18.5
107.08607	1.4
109.03057	0.7
111.04442	5.7
113.06022	0.7
114.09148	0.8
115.05466	2.8
116.06266	2.9
117.07017	9.5
118.06560	0.9
119.08594	9.5
127.07562	0.8
128.06203	1.6
128.10742	7.3
129.05499	2.9
129.07005	10.0
130.06879	0.9
130.07770	4.9
131.08575	100.0
131.93059	0.6
132.08011	0.9
132.08900	1.1
133.10132	1.1
142.07729	1.0
143.08571	10.9
144.09369	4.4
145.06482	1.8
145.10132	42.9
146.05983	1.2
146.10410	0.6
149.93968	1.5
155.03378	0.9
155.07036	4.4
155.08543	0.7
157.10086	0.9
158.07254	1.2
158.10910	15.2
171.11728	1.3
173.08191	6.3
173.09688	4.1
173.13272	65.5
174.11322	9.3
174.13756	1.1
187.44264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03920	0.6
55.05513	7.7
56.96557	2.3
57.07076	1.7
59.04985	1.0
60.31287	0.5
67.05504	2.9
69.03444	0.7
69.07050	0.9
70.48865	0.5
71.05015	0.5
71.08625	0.8
71.46518	1.0
72.93788	3.1
74.06076	0.7
79.05487	2.0
81.03397	0.8
81.07056	2.6
83.04981	9.0
85.06566	0.6
85.08919	0.9
85.73861	0.5
88.07622	1.8
89.02402	0.8
89.07987	0.8
90.90379	2.5
90.94839	2.4
91.05482	12.7
93.07035	0.7
96.08105	3.0
97.02924	0.7
98.97566	0.7
101.06013	6.0
102.05553	0.6
102.09196	2.6
103.05508	0.8
105.07027	10.5
110.09721	0.6
111.04458	7.3
113.06022	0.9
113.07913	0.6
115.05450	3.6
116.06242	2.5
116.77157	0.5
117.07040	7.0
119.08585	14.3
127.07512	0.8
128.06221	2.0
128.10707	5.5
129.05476	2.2
129.07005	9.4
129.89931	0.4
130.07774	4.1
131.08569	80.7
131.92973	0.9
132.08911	2.0
133.10162	2.2
134.04968	0.6
141.06992	0.5
142.07787	1.4
143.08563	26.1
144.09354	8.3
145.07657	0.7
145.10127	26.3
146.05966	0.6
149.94040	2.2
149.96129	0.7
150.06084	0.9
155.03354	0.6
155.07033	5.6
155.08496	1.3
155.17542	0.6
156.09264	1.4
157.10153	1.7
158.07394	2.6
158.10919	41.3
159.11610	1.7
167.97189	0.9
171.11716	2.3
173.05919	0.8
173.08156	8.8
173.09677	7.8
173.13269	100.0
173.17303	9.3
174.11285	6.7
174.13635	2.3
180.77802	0.7
186.26251	0.5
192.68463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Boonein
Peak:m/z	Relative Intensity
53.03957	0.8
55.01865	2.6
55.05506	5.8
57.03441	4.8
59.05025	0.8
63.11942	0.7
65.03949	4.6
67.05505	73.0
68.52333	0.6
68.88668	0.7
69.03417	1.5
69.07063	1.5
70.72510	1.2
70.72843	1.0
71.04983	1.5
72.04508	1.8
73.02914	10.0
79.05496	43.6
80.05844	1.1
81.07061	47.1
81.87595	0.7
83.04528	1.1
83.04984	9.3
83.08598	1.0
89.07162	1.3
91.05482	8.3
93.03425	4.0
93.07041	3.2
95.08606	0.9
97.02859	0.9
97.06506	2.3
97.10150	1.7
105.07027	3.9
107.04968	2.1
107.08601	100.0
108.08912	2.0
109.06535	1.6
109.10166	21.0
111.04448	36.0
111.08080	2.4
115.05459	1.1
117.07049	2.8
119.06055	1.3
125.09640	13.1
128.06213	0.9
135.08061	10.9
139.00206	0.8
141.06935	0.8
143.08560	1.1
153.09113	57.4
154.09494	1.1
156.09344	2.9
158.15540	0.7
171.10179	28.8
171.11670	2.4
172.10591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48735	0.6
52.20485	0.6
53.00312	0.7
53.03936	0.9
55.01880	3.1
55.05288	0.8
55.05513	8.0
56.96564	1.0
57.03440	7.4
59.05004	1.1
65.03947	6.0
66.18534	0.6
67.05508	72.3
69.03429	1.9
69.07058	4.6
71.04990	3.5
71.57838	0.8
72.04521	5.8
72.08161	0.9
73.02927	7.9
79.05496	41.7
80.05847	0.6
81.07060	49.2
82.07403	1.3
83.04985	12.1
83.08607	3.2
85.02898	0.9
85.06541	1.1
87.04443	1.0
89.07156	3.4
91.05483	9.1
93.03399	3.8
93.07047	6.7
95.04977	1.1
95.08605	3.1
97.06538	4.1
97.10188	1.5
99.04431	0.8
99.08129	1.1
105.07050	3.6
107.04977	2.0
107.08600	100.0
108.08936	2.0
109.06525	2.5
109.10162	20.4
109.36598	0.7
111.04452	37.2
111.08089	2.4
112.07603	2.0
115.05449	1.5
117.07021	2.7
119.06087	1.0
125.09642	12.8
128.06253	2.8
129.07037	1.6
135.08060	10.2
135.11700	2.2
139.03926	1.6
141.07008	5.2
141.90848	0.6
142.07794	1.3
143.08572	5.9
153.09119	55.7
153.12738	2.0
154.09540	1.4
155.08569	1.0
156.03755	1.2
156.09354	21.8
157.09694	1.0
171.02950	0.8
171.05638	1.2
171.10188	29.2
171.11720	14.5
171.14970	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05508	4.9
55.70829	0.6
56.43209	0.7
56.96555	0.7
59.04991	0.9
65.03922	1.1
67.05511	5.5
69.07056	1.4
69.79348	3.0
71.04984	1.5
72.93796	1.2
74.33199	0.6
79.05495	2.3
81.07075	6.3
83.04986	5.1
85.06556	1.3
87.66599	0.6
90.94808	0.8
91.05485	12.6
93.07022	1.4
95.08628	3.5
96.08121	2.0
97.02907	1.2
98.21456	0.8
101.06028	4.4
102.05544	6.0
102.09159	1.2
103.05444	0.8
105.07036	10.3
108.11116	0.6
109.10122	1.3
111.04454	5.7
113.05991	0.7
115.05464	3.2
116.06248	3.8
117.07015	5.5
119.08587	14.9
127.07471	0.8
128.04967	0.8
128.06158	1.3
128.10750	3.4
129.07016	11.0
130.07805	4.2
131.08577	78.7
132.08902	0.7
133.10124	2.8
142.07803	0.7
143.08565	21.1
144.09386	7.9
145.06462	1.8
145.10135	27.9
146.10417	0.7
155.07016	2.4
156.09338	2.0
157.10068	1.3
158.10922	38.4
159.11383	0.7
171.11685	2.1
173.08337	4.0
173.13275	100.0
174.11299	15.5
174.13651	2.2
183.09215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05511	9.1
56.58720	0.7
56.96560	0.8
57.07075	1.6
59.05005	1.4
67.05505	3.0
69.07071	1.0
69.63067	3.9
70.06608	1.0
71.06115	0.6
72.93787	1.3
79.05498	3.4
81.07055	3.5
83.04991	10.2
84.08160	0.9
85.08925	0.9
91.05486	16.9
93.07059	2.0
95.08582	1.2
96.08137	4.8
97.02890	0.8
98.09708	1.6
101.06036	5.7
102.05570	1.7
102.09167	3.3
103.03299	0.9
103.05479	1.1
105.07035	13.2
107.08592	0.8
111.04443	9.7
113.06013	0.7
113.07916	0.6
115.05453	2.8
116.06261	2.6
117.07029	13.4
119.05059	0.6
119.08586	11.8
127.07587	1.2
128.06212	2.0
128.07106	1.3
128.10713	8.8
129.05505	2.2
129.07011	11.8
130.07846	4.5
131.08574	100.0
132.08882	1.5
133.10164	1.0
143.08562	18.8
144.09360	7.7
145.06497	1.4
145.07657	0.9
145.10130	31.8
145.11287	1.6
155.07033	4.7
156.09294	1.4
157.10127	1.4
158.07294	2.3
158.10913	20.7
171.11702	1.6
173.05887	1.4
173.08139	7.6
173.09683	5.9
173.13271	94.1
174.11301	9.5
174.13702	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	169.0497
Annotation	4-Hydroxymethylsalicylate
Peak:m/z	Relative Intensity
52.03170	0.2
53.03942	0.2
55.01869	0.2
55.05507	0.3
56.96561	0.7
65.03946	1.4
66.81488	0.2
67.05513	0.8
68.99789	0.4
69.07065	0.3
69.74796	1.0
72.66093	0.2
73.20550	0.2
79.05491	0.2
81.03415	0.5
81.07059	0.4
83.97630	0.3
87.20866	0.2
95.04975	10.1
95.08608	0.2
96.05305	0.2
97.02845	0.2
98.03654	0.3
98.20784	0.2
102.03380	0.3
108.02109	1.5
109.02917	0.8
109.10186	0.2
110.03686	0.3
111.00794	1.0
111.04471	0.4
123.04446	1.5
124.04658	0.5
125.05996	0.7
125.29492	0.2
126.03155	1.1
133.05171	0.2
136.01613	0.2
141.05490	3.5
145.01738	0.2
151.03912	100.0
152.04265	2.3
163.02834	0.3
169.04980	13.1
169.07451	0.4
169.09947	0.4
170.08109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0814
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03948	0.6
53.33116	0.2
55.05529	0.3
56.96571	14.4
57.03445	0.9
59.58884	0.2
61.02938	0.5
67.05529	0.3
69.03423	1.2
70.04725	0.5
70.05139	0.7
70.06601	0.3
70.98145	0.6
71.05000	0.4
71.95266	0.6
72.96073	0.3
73.02914	0.4
74.97629	0.3
79.05499	2.0
80.05032	0.3
81.03442	0.5
81.05818	0.8
82.06580	0.7
84.96046	0.6
85.02909	1.2
85.07688	0.3
87.04479	0.5
91.05502	0.3
94.06564	0.4
95.04984	0.6
96.08135	2.0
97.02369	0.3
97.02901	1.2
97.06566	0.3
98.03211	0.5
98.97605	3.5
100.99162	0.7
101.00815	0.3
103.99011	0.3
105.04504	0.4
106.06569	1.7
108.44501	0.3
109.02905	0.5
110.06083	0.3
110.74100	0.2
110.97585	2.7
112.99126	2.0
113.99492	0.5
115.00661	0.3
116.03046	0.3
116.98618	1.1
117.83899	0.3
118.01051	0.5
119.00168	0.4
119.01823	0.5
119.47744	0.3
121.06510	1.0
122.05976	0.3
123.06814	0.5
124.07598	5.6
125.05997	0.3
127.00700	0.4
127.01530	0.7
128.98642	2.1
131.00145	1.2
132.00525	0.5
133.01587	0.3
134.06024	73.6
135.06364	1.1
136.03954	0.4
137.04729	0.5
145.01765	0.4
146.99632	1.6
147.03259	0.5
147.04967	0.5
147.53210	0.4
149.01234	0.6
150.05690	0.3
152.07077	100.0
153.07436	1.9
158.04897	0.3
161.01274	0.3
161.04643	0.3
163.02858	0.5
165.00697	0.5
170.05130	0.5
170.08133	12.3
170.11725	0.5
171.08545	0.3
171.11348	1.2
177.04382	0.4
178.55101	0.5
186.26770	0.3
189.04379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03956	0.5
55.01881	1.1
55.05529	0.5
68.99789	3.4
69.03437	0.4
69.26458	3.0
69.26871	0.8
71.98738	0.3
80.02635	0.7
81.03429	0.6
85.02901	0.7
87.36712	0.3
97.02914	1.4
98.03687	2.4
99.04478	0.5
103.47836	0.3
105.07088	0.4
109.02916	1.3
111.00811	27.1
113.06003	0.4
123.08015	0.6
126.03140	32.8
127.03463	0.3
141.05472	100.0
142.05792	1.6
169.04973	42.4
170.05341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
55.05517	0.7
56.96560	2.4
65.03934	1.9
67.05496	1.5
68.61197	0.3
68.99794	0.6
69.07082	0.4
69.58530	1.4
69.58939	0.6
71.01343	0.3
71.05003	0.3
79.05517	0.6
80.02607	0.4
81.03417	1.0
81.07053	0.7
83.04995	0.4
83.97653	0.3
88.14768	0.3
95.04978	10.8
95.08615	0.4
99.04433	0.3
102.03352	0.6
104.45474	0.3
108.02114	1.6
108.02801	0.4
109.02876	0.9
111.00809	2.5
111.03790	0.6
111.04435	0.9
115.04050	0.3
123.04451	1.3
124.04662	1.4
124.07629	0.4
125.05990	0.7
126.03150	3.6
127.03933	0.4
133.05104	0.4
136.01543	0.5
141.05475	9.2
141.07008	0.4
151.03909	100.0
152.04231	1.8
152.06981	0.4
154.07829	0.6
159.92236	0.3
169.04974	14.8
169.07500	0.7
169.10103	0.6
170.05325	0.5
170.08098	0.3
174.31467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03950	0.8
55.01870	0.5
55.05515	0.6
56.07663	0.3
56.79123	0.3
56.96571	0.4
57.20331	0.2
65.03940	0.4
67.05502	0.9
67.52979	0.3
68.99789	3.6
69.70943	0.7
69.71351	1.6
72.68577	0.3
79.05502	0.8
80.02636	0.4
81.03409	0.8
81.07059	0.7
83.04979	0.4
85.02936	0.3
88.44888	0.3
95.04983	0.6
95.08629	0.5
97.02885	1.0
97.06500	0.3
98.03676	2.5
103.32553	0.4
105.07040	0.4
109.02898	1.7
109.06549	0.5
111.00815	26.1
111.08098	0.3
113.06012	0.8
120.78297	0.3
123.08046	0.7
126.03142	30.6
127.03493	0.4
141.05475	100.0
142.05814	1.9
147.67665	0.4
151.03882	0.3
151.11232	0.5
169.04977	41.0
170.05307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	Vanillate
Peak:m/z	Relative Intensity
52.03147	1.5
53.03942	1.8
55.01877	4.6
55.05510	1.4
56.96558	2.7
57.07061	0.9
58.00474	0.6
65.03944	7.6
67.05168	0.9
67.05507	12.5
68.99798	3.7
69.03436	3.5
69.07070	1.5
70.04221	1.1
70.82487	1.4
71.04988	1.0
77.03897	0.6
77.29673	0.7
79.05494	2.0
80.02631	3.4
81.03435	5.3
81.07070	3.6
83.01354	0.8
83.04966	1.6
85.06560	0.9
93.03421	2.2
93.07047	0.8
95.04975	33.9
95.08605	3.1
96.08111	0.9
97.02885	1.8
98.03669	6.6
99.04440	0.9
107.08595	1.5
109.02888	5.8
109.06526	1.7
109.10153	2.1
111.00822	3.6
111.04478	3.2
111.08115	1.2
113.06009	0.7
121.02904	1.3
123.04440	82.0
123.11708	1.7
124.04729	2.2
125.02413	0.9
126.03145	71.7
127.03427	0.9
136.01541	1.1
137.02354	1.3
138.06744	1.1
139.03902	2.0
141.05478	45.2
142.05785	0.7
151.03915	8.1
152.04248	0.7
154.02625	38.3
154.07787	2.3
169.04979	100.0
169.07497	3.0
169.09935	4.3
170.05356	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	169.0497
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
53.03941	1.2
55.01879	0.8
55.05511	0.7
55.35041	0.3
56.14664	0.4
56.78366	0.5
56.96569	0.6
60.55440	0.4
63.00090	0.4
65.03944	1.0
67.05499	1.4
68.58683	0.4
68.99791	3.5
69.07052	0.6
69.51953	1.5
69.52367	1.3
71.04977	0.5
79.05503	0.7
80.02591	0.5
81.03420	12.1
81.07053	2.3
85.02911	0.9
91.05496	0.8
95.04971	1.4
95.08621	1.1
97.02901	1.1
98.03679	2.5
98.20725	0.5
99.04454	0.6
108.02083	0.8
109.02888	18.2
109.06537	0.9
109.10160	1.1
111.00813	26.7
111.04462	0.7
111.08074	0.8
112.01170	0.4
113.06033	0.8
123.04446	0.7
123.08115	0.5
123.11721	0.6
124.04729	0.4
126.03143	33.7
127.03986	1.0
141.05473	100.0
142.05833	1.7
151.04015	0.7
151.05029	1.5
154.07774	0.5
159.71075	0.4
169.04979	40.6
169.10110	1.7
170.05334	0.7
170.08205	0.7
177.09831	0.4
180.34416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.4
55.01859	3.7
55.05513	75.5
55.62577	1.8
56.32808	1.3
56.64491	1.9
57.03425	4.4
57.07062	3.5
57.12004	1.8
59.04993	8.1
59.85758	1.7
62.77928	1.6
65.03960	3.4
66.04728	2.2
67.05507	16.5
69.03432	24.4
69.07066	14.6
70.06586	5.9
71.04987	4.5
71.17730	4.3
72.76479	2.0
76.75639	1.6
78.04722	16.4
79.05492	23.1
80.05019	1.9
81.03406	2.9
81.07064	17.6
83.04984	89.8
83.08623	30.2
85.06557	8.7
91.05484	9.1
93.07050	18.2
95.04969	6.0
95.08585	7.3
95.92203	1.8
96.05744	1.6
97.02882	2.5
97.06540	9.1
97.10180	11.5
98.97614	2.2
103.00629	3.8
105.03391	2.8
105.07019	5.3
106.04150	6.0
107.04958	6.1
107.08603	30.0
109.06537	3.8
109.10155	21.6
111.04469	1.9
111.08081	24.0
112.08895	7.6
112.50214	2.0
113.09619	2.9
121.01702	3.2
121.02831	4.5
121.06503	3.8
121.10147	22.4
122.03567	1.8
123.04442	28.7
123.08114	2.9
123.11692	8.2
124.05260	8.1
125.05991	3.1
125.09628	10.7
126.06630	3.8
131.08585	2.3
134.03630	2.8
135.04428	2.3
139.07521	5.4
139.11217	2.1
140.07077	2.4
144.03268	3.2
149.09613	4.1
149.13245	4.4
151.03912	5.6
151.05075	1.9
151.06250	2.7
152.04695	6.0
167.03416	3.2
167.07047	100.0
167.10712	4.2
167.14328	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	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.10415	1.0
52.00978	1.0
53.03935	3.4
55.01871	5.4
55.05515	84.4
56.96551	1.6
57.03435	3.8
57.07075	3.4
59.05002	10.8
65.03958	4.9
66.04747	1.4
67.05164	1.6
67.05505	23.1
69.03432	24.6
69.06721	1.7
69.07075	29.7
69.19772	7.3
69.20200	3.5
70.06606	1.4
71.03552	0.9
71.04993	4.5
77.03943	1.4
78.04719	10.4
78.63467	1.1
79.05059	1.8
79.05495	26.5
81.03415	2.1
81.07062	20.5
83.04985	100.0
83.08625	32.2
85.02938	1.2
85.06540	8.7
91.05482	14.4
93.03413	3.0
93.07050	43.7
94.04218	1.4
95.04976	9.1
95.08608	13.2
97.06546	9.9
97.10173	10.6
99.08096	2.3
103.00613	1.6
103.05491	1.5
105.03379	1.6
105.04509	1.0
105.07041	17.5
106.04172	4.2
107.04981	6.2
107.08600	42.3
109.02882	2.5
109.06542	6.2
109.07140	1.0
109.10167	21.2
111.04443	2.9
111.08088	27.2
111.11747	1.7
112.07620	1.7
112.08842	4.4
113.09660	2.3
119.08571	2.8
119.30473	0.9
121.01679	3.8
121.02871	3.0
121.06538	5.2
121.08430	3.3
121.10154	49.3
122.03693	1.4
123.04436	20.8
123.08099	6.7
123.11716	7.6
124.05247	5.5
125.06026	2.3
125.09632	12.5
126.06656	1.5
131.08546	4.1
134.03603	1.3
135.04388	1.6
137.09596	1.4
139.07556	4.6
139.11195	2.8
140.07100	3.6
144.03271	3.5
149.02402	1.5
149.05989	3.8
149.09621	15.3
149.13268	4.6
151.03909	3.0
151.06125	1.5
152.04703	4.5
167.03380	3.6
167.07051	64.8
167.10715	12.9
167.14331	37.4
167.15758	1.5
168.10211	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
51.41214	0.7
53.03946	5.2
55.01872	4.5
55.05514	48.9
56.05837	0.9
56.08325	0.7
56.96566	1.7
57.03424	2.6
57.07055	3.0
57.13702	0.7
59.05008	6.8
65.03945	14.3
66.04707	0.8
67.05163	1.2
67.05505	17.5
68.99780	0.8
69.03434	15.2
69.06712	1.2
69.07069	16.6
70.02928	0.8
71.05004	4.0
71.57552	0.8
71.57892	0.9
73.45988	0.6
75.66190	0.8
76.35209	0.7
77.03914	1.2
78.04716	16.7
79.05499	20.4
79.77444	0.7
81.03395	2.0
81.07065	19.4
82.07376	0.8
83.04984	48.3
83.08624	23.3
84.05291	1.1
84.96011	0.7
85.02904	1.4
85.06539	5.4
91.05483	12.5
93.03414	8.2
93.07049	37.5
94.04196	1.1
95.04978	5.6
95.08044	1.2
95.08613	18.5
96.05775	0.9
97.02861	1.9
97.06530	9.0
97.10170	5.4
97.99121	0.7
99.08092	1.8
103.00606	1.3
103.05474	1.0
105.03372	1.4
105.04511	1.6
105.07038	10.8
106.04170	7.3
107.04967	5.6
107.08595	25.1
108.05752	0.9
109.02881	1.5
109.06542	6.0
109.10168	12.7
111.04490	4.9
111.08083	20.2
111.11660	0.7
112.08874	3.0
112.22579	0.8
112.49895	0.7
113.09629	1.6
113.24955	0.8
116.21396	0.7
119.06011	0.9
119.08599	0.8
120.08083	0.7
121.01661	2.5
121.02877	6.4
121.06510	8.9
121.08444	1.6
121.10148	44.4
122.03664	1.6
123.04434	29.0
123.08061	5.2
123.11701	7.5
124.05210	9.5
125.02352	2.0
125.05972	2.8
125.09628	9.4
131.08566	4.1
134.03610	1.9
135.04449	2.0
136.82016	0.8
137.02431	0.8
137.06032	1.2
139.02783	1.0
139.03886	1.2
139.07565	6.3
139.11183	5.4
144.03262	2.1
148.17282	0.7
149.02368	6.5
149.06024	2.4
149.09627	14.1
149.13286	4.5
150.03157	0.9
151.03897	6.5
152.04681	5.2
152.78241	0.6
167.03426	4.1
167.07047	100.0
167.10669	25.0
167.12071	1.6
167.14319	20.2
168.04231	0.8
168.07445	2.0
168.14668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02376	0.6
53.03944	3.8
53.35409	0.7
55.01878	6.2
55.05513	7.6
56.96569	1.0
57.03431	1.2
59.05002	1.2
63.71909	0.7
64.59498	0.6
65.03945	3.1
66.04715	1.1
67.05508	10.1
69.03435	3.7
69.07072	9.9
71.04990	2.0
71.57523	0.6
71.57932	1.0
72.70374	0.7
77.03931	1.5
78.04716	16.1
79.05496	41.4
81.03413	2.3
81.07057	8.8
82.64790	0.6
83.04987	6.2
83.08623	2.3
84.96043	0.7
85.02898	1.1
85.06542	1.1
91.05485	18.4
93.07050	38.3
94.04226	1.4
95.04983	7.0
95.08601	6.1
97.02917	0.8
97.06540	7.3
103.00626	0.9
103.05460	1.5
105.03399	0.9
105.04504	1.8
105.07035	29.1
106.04179	6.6
107.04960	4.8
107.08600	58.7
109.02876	3.1
109.06522	4.8
109.10170	3.4
111.04428	2.6
111.08100	3.6
111.11716	1.3
119.06015	1.0
119.08582	3.3
121.01676	4.7
121.02876	1.7
121.06517	8.3
121.08438	2.0
121.10149	30.4
122.03663	1.9
122.09678	1.0
123.04436	27.0
123.08087	2.4
123.11710	2.6
124.05255	8.8
125.05992	2.7
125.09617	2.2
129.06958	1.4
131.08575	18.2
132.08904	0.7
134.03629	2.1
135.04387	1.7
137.02361	0.7
137.05988	1.1
137.09634	7.0
139.07576	3.2
139.11195	1.3
144.03252	2.1
149.02347	2.2
149.05988	1.1
149.09628	44.1
149.13264	2.4
150.05544	0.9
150.09996	1.2
151.03868	4.6
152.04724	5.9
167.03432	3.4
167.07050	100.0
167.10677	18.2
167.14328	4.2
168.07426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35274	1.2
53.03945	5.4
55.01871	6.1
55.05512	89.8
56.96546	1.7
57.03440	5.8
57.07064	3.8
57.69973	1.2
59.04999	11.1
59.79095	1.0
63.02755	1.1
65.03924	2.4
67.05172	1.5
67.05508	22.8
69.03067	1.7
69.03426	21.9
69.06776	1.1
69.07072	14.1
69.52422	7.8
70.06588	6.6
71.04984	4.6
73.02905	4.9
73.06546	1.3
77.03910	1.4
78.04712	15.1
79.05064	1.3
79.05497	22.7
81.03407	1.4
81.07065	20.8
83.04983	100.0
83.08141	2.1
83.08623	36.5
84.05327	1.3
85.02897	1.4
85.06541	8.3
91.05473	10.6
93.03389	1.4
93.07040	21.5
94.04187	1.7
95.04971	8.6
95.08609	9.7
96.05734	1.9
97.06529	6.9
97.10181	11.7
98.97598	2.7
99.08089	1.9
103.00634	3.3
105.03381	1.5
105.04489	1.8
105.07030	7.5
106.04189	7.5
107.04978	9.8
107.07875	1.5
107.08598	31.2
108.04475	2.3
109.02874	2.4
109.06531	7.9
109.09471	1.4
109.10165	18.8
111.04443	3.2
111.08087	30.5
112.08873	7.2
113.09640	3.3
119.04955	1.9
120.01996	1.3
121.01676	4.7
121.02872	42.5
121.06485	9.6
121.08423	2.2
121.10148	21.3
122.03657	2.2
122.06036	1.5
123.04427	25.7
123.08054	2.4
123.11721	7.6
124.05225	8.6
125.05959	4.2
125.09635	16.5
126.06635	4.4
131.08536	2.1
134.03645	1.7
135.04448	1.6
137.06023	1.5
139.07535	4.4
139.11082	1.3
140.07079	2.6
144.03238	3.9
149.02348	2.7
149.04939	2.1
149.05989	12.6
149.09589	5.7
149.13268	5.7
150.05516	2.4
151.03911	4.6
151.06177	3.4
152.04674	5.0
163.03091	1.2
167.01611	1.5
167.03389	2.6
167.07047	95.5
167.10629	6.8
167.14305	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(S)-(-)-Perillic acid
Peak:m/z	Relative Intensity
53.03946	4.0
55.01876	10.7
55.05515	22.7
56.96574	1.4
57.03439	2.5
57.07064	1.6
59.04997	1.8
65.03944	3.9
67.05506	16.4
69.03432	7.7
69.07069	10.1
69.46918	4.9
71.04977	3.5
73.35837	0.7
77.03960	1.1
78.04717	8.8
78.65866	0.7
79.05493	63.3
79.63374	0.7
81.03428	1.9
81.07063	15.6
83.04984	23.2
83.08609	7.6
84.96015	0.7
85.02894	0.9
85.06552	2.9
91.05482	25.0
93.03413	1.0
93.07043	57.0
94.06593	0.9
94.07368	0.7
95.04975	11.0
95.08604	7.9
96.05778	0.9
97.02911	1.0
97.06533	8.8
97.10173	2.8
98.21606	1.0
98.33076	0.6
103.00650	1.1
103.05488	2.6
105.03416	0.8
105.04541	1.7
105.07036	43.8
106.04182	3.6
107.04966	8.4
107.08598	100.0
108.04504	0.9
108.08945	1.2
109.02888	1.2
109.06519	8.7
109.10155	5.9
111.04457	2.9
111.08095	7.5
112.08904	1.0
116.06253	2.7
119.06088	1.1
119.08603	4.3
121.01687	3.0
121.02882	2.5
121.06515	15.0
121.08435	3.7
121.10146	41.6
122.03677	0.8
123.04440	12.8
123.08075	4.6
123.11721	3.3
124.05246	6.0
125.06011	2.9
125.09655	6.8
126.06617	1.5
129.07007	2.7
131.08572	31.3
133.06541	0.9
133.07578	0.7
134.03668	1.0
135.04440	0.9
137.06027	0.8
137.09628	12.9
139.02750	0.7
139.03894	0.8
139.07574	5.8
139.11182	1.2
144.03279	2.3
149.02351	3.0
149.06105	1.6
149.09624	70.5
149.13243	4.7
150.05428	0.8
150.10017	1.3
151.03917	4.1
151.06145	0.9
152.04681	3.3
167.03358	2.5
167.07042	54.7
167.10689	26.7
167.14311	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	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02385	0.6
53.03960	2.7
54.03465	0.6
55.01869	1.5
55.05262	0.8
55.05515	14.3
56.96553	0.9
57.03449	1.0
57.07074	1.1
59.04985	1.8
65.03929	1.3
67.05511	4.6
67.20327	0.5
68.05008	0.6
68.99766	0.5
69.03130	0.5
69.03439	4.3
69.07075	3.4
69.55254	3.0
71.04974	0.7
73.02918	2.5
73.06548	0.5
77.03921	0.8
78.04716	11.6
79.05500	11.4
80.04996	0.6
81.03411	1.1
81.07059	5.4
83.04989	16.5
83.08620	5.6
85.06535	1.6
91.05486	7.5
93.03370	0.7
93.07057	13.5
95.04987	4.3
95.08604	2.1
96.05761	0.9
97.06512	1.9
97.10167	1.7
98.97630	0.6
103.00618	1.0
103.05457	1.2
105.03405	0.6
105.04540	0.9
105.07021	1.5
106.04192	3.8
107.04971	4.4
107.06182	0.5
107.08603	7.3
109.02878	1.8
109.06535	2.3
109.10132	2.9
111.04432	1.1
111.08083	4.1
112.08888	1.0
113.09653	0.6
119.04919	0.6
121.01707	1.3
121.02878	23.8
121.03849	0.8
121.06505	7.7
121.07609	1.7
121.10158	5.9
122.03684	0.6
123.04444	18.6
123.08067	1.8
123.11718	0.9
124.05257	5.6
124.95871	0.5
125.05967	1.0
125.09663	2.7
125.10486	0.5
126.06622	1.0
131.08527	0.6
134.03642	0.8
135.04440	0.9
139.07579	2.0
139.11194	0.6
144.03235	1.3
149.02406	0.8
149.04904	0.8
149.06009	8.8
149.07130	1.1
149.09633	2.7
149.13281	0.8
150.03127	0.6
151.03926	2.7
151.06183	0.7
152.04684	3.7
167.07050	100.0
167.10716	1.8
167.14293	5.0
168.07368	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	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.00322	0.6
53.03940	3.5
55.01872	0.6
55.05515	0.8
65.03951	1.5
66.04728	1.1
67.05508	2.6
68.99795	0.9
69.03432	0.6
70.85350	0.9
77.03931	0.7
78.04716	1.2
79.05495	15.8
81.03426	1.6
81.07061	10.9
83.04960	0.5
91.05503	0.7
92.02619	0.4
93.03415	0.7
93.07031	0.8
94.04199	1.5
95.04972	8.2
96.05221	0.6
96.05764	5.5
97.06551	0.8
105.04516	1.0
106.04182	0.7
107.04976	1.6
107.08584	0.6
108.05737	1.4
109.02879	12.2
109.06531	8.8
111.04469	0.4
111.08081	8.5
114.57413	0.4
120.02055	0.6
121.01625	0.6
121.02885	0.8
121.06459	0.6
121.10157	0.5
123.04439	14.5
124.05217	24.4
125.05553	0.4
134.03616	0.4
135.04416	1.3
139.07544	62.7
140.07886	1.2
146.88937	0.4
151.03935	1.1
152.04700	1.7
166.44612	0.4
167.07043	100.0
168.07385	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	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02384	0.4
53.03955	2.9
55.01875	2.4
55.05518	3.0
55.27745	0.3
56.96571	3.3
57.03434	0.8
59.04993	1.2
59.43468	0.3
63.67066	0.3
65.03946	1.8
66.04717	1.0
67.05502	2.9
68.02634	0.3
68.99779	0.8
69.03438	2.2
69.07071	3.7
69.82513	1.8
70.06582	0.8
71.04987	0.8
72.45470	0.3
73.02908	1.3
77.03934	1.0
78.04715	12.0
79.05496	14.7
81.03411	1.6
81.07064	3.9
83.04993	2.7
83.08600	0.7
84.08131	0.6
84.96039	0.6
85.02883	0.9
86.85924	0.3
90.01559	0.4
91.05484	9.0
93.03390	1.2
93.07051	13.8
94.04188	1.0
94.06573	0.6
94.07380	0.5
95.04976	6.2
95.08618	2.1
96.05742	0.9
97.02888	1.2
97.06520	2.4
98.01230	0.3
98.20788	0.3
98.97586	2.7
101.00738	0.3
103.00626	1.9
103.05470	1.0
105.03415	1.1
105.04519	1.1
105.07029	2.5
106.04172	3.8
107.04302	0.4
107.04973	5.0
107.08605	7.7
108.04494	0.4
108.05769	0.3
109.02903	1.8
109.06525	3.1
109.10154	0.5
110.01261	0.6
110.97537	0.4
111.04450	1.6
111.08092	1.3
112.07610	0.7
116.06195	0.5
116.98648	1.0
119.01817	0.9
119.04935	0.5
119.08541	0.4
120.02043	0.3
121.00869	0.4
121.01678	4.6
121.02866	13.0
121.03867	0.4
121.06513	9.3
121.08440	1.2
121.10147	5.5
122.03616	1.1
122.06046	0.4
123.04436	21.7
123.08086	2.3
123.11681	0.5
124.05227	6.9
125.06028	1.5
125.09622	1.6
126.06628	0.6
128.02347	1.3
128.98625	0.3
131.08566	1.4
134.03642	1.3
134.99692	0.4
135.04440	1.9
135.05357	0.4
137.02286	0.5
137.05984	1.4
139.02718	1.0
139.03835	0.4
139.07539	2.6
139.11179	1.1
139.53201	0.3
140.07062	1.6
144.03255	3.0
149.02333	1.8
149.05977	4.9
149.09636	3.5
150.05458	0.5
151.03934	3.0
152.04709	3.3
162.04362	0.8
167.07048	100.0
167.10637	3.3
168.04204	0.4
168.07593	1.6
168.08589	0.3
176.96857	0.4
177.00620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03944	0.5
55.05518	4.7
56.96309	0.3
56.96558	1.6
57.03439	1.1
57.07082	0.5
61.02938	0.7
65.03945	0.7
67.05507	4.6
69.03426	3.6
69.07075	3.3
71.04987	0.7
71.09036	0.4
71.09357	0.4
79.05493	3.4
81.03422	1.9
81.07056	8.5
82.99850	0.7
83.04982	2.8
83.08614	3.2
85.02908	1.5
85.06556	0.6
86.09781	0.3
91.05489	4.1
93.07038	2.7
95.04972	100.0
95.08605	5.6
96.05314	1.3
99.04487	0.5
100.02586	0.4
101.00885	6.9
104.54161	0.3
105.07036	4.4
107.04964	0.6
107.08598	8.4
107.09290	0.7
109.06524	20.3
109.10153	4.1
111.04408	0.4
113.21648	0.3
119.01926	19.2
119.04919	3.0
119.08600	5.2
119.97298	0.4
120.01976	0.8
120.08105	1.0
121.06522	0.5
121.10136	2.2
122.07280	1.5
123.04445	0.3
123.08070	1.7
123.11711	1.5
124.02430	1.7
128.97827	0.5
137.02988	4.3
137.06003	1.3
137.09624	5.7
137.13293	1.5
137.98369	0.5
142.03508	12.8
147.04416	4.9
147.08102	0.9
147.11685	8.7
160.04561	2.7
165.01845	0.4
165.05396	1.1
165.09111	9.2
165.12761	47.7
166.08539	0.3
166.13121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03945	1.3
55.01860	0.7
55.05512	1.4
56.96563	1.3
57.03445	1.7
61.02926	0.5
65.03942	2.4
67.05512	2.1
69.03426	3.6
69.07061	0.9
69.62830	0.4
69.67000	2.0
71.04995	0.8
77.03925	0.6
79.05509	2.4
81.03434	2.0
81.07062	2.7
82.99853	1.1
83.04978	1.8
85.02913	1.5
85.16382	0.3
91.05484	31.5
92.05798	0.3
93.07047	1.7
94.04172	0.3
95.04978	3.5
95.08611	2.2
95.65257	0.3
99.04428	0.6
101.00885	13.3
103.05460	1.6
104.65295	0.3
105.03382	0.7
105.04532	0.4
105.07037	3.7
107.04942	1.0
107.08598	1.2
109.06541	2.6
109.10160	1.6
111.04427	0.7
119.01929	30.8
119.04948	58.7
119.08571	4.7
120.02061	0.8
120.05252	1.0
120.08104	1.5
121.06516	0.7
121.10124	1.1
122.03661	0.5
123.04450	3.5
123.08065	1.6
123.11730	0.5
124.02452	1.6
129.05437	0.4
133.02855	3.1
133.06500	0.7
135.04422	0.6
137.02150	0.5
137.03003	7.0
137.05991	4.6
137.07979	0.6
137.09613	1.5
142.03510	22.5
147.04414	100.0
147.08078	1.2
147.11694	1.4
148.04829	1.7
150.06758	1.6
160.04573	4.5
161.01283	0.4
161.77043	0.4
165.01862	0.7
165.05470	4.9
165.06665	0.7
165.09097	3.9
165.12793	1.7
166.04993	0.9
166.08571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
53.03947	3.3
55.01872	5.2
55.05508	2.7
56.96558	0.8
57.03426	3.0
61.02917	1.4
65.03932	1.7
67.05504	8.0
69.03431	7.2
69.07067	1.7
70.10835	2.6
71.04990	2.2
73.02932	0.9
77.03944	0.6
79.05052	1.3
79.05497	21.5
81.03415	7.5
81.07059	13.8
82.99853	1.3
83.04977	3.7
83.08615	0.8
85.02905	2.3
91.05489	14.1
93.03399	1.2
93.07059	3.6
94.04195	3.6
95.04971	15.2
95.08605	7.9
95.73413	0.6
97.06559	1.1
99.04421	1.0
101.00883	10.5
101.02544	1.0
101.79135	0.6
103.05470	11.4
105.07034	99.8
106.07365	1.8
107.04954	3.2
107.08601	4.5
109.02885	33.1
109.06522	10.1
109.10167	5.2
110.00222	0.6
111.04438	2.1
115.05460	1.4
119.01927	25.0
119.03620	0.8
119.04948	5.6
119.06069	1.0
119.08590	8.6
120.02042	0.9
120.08106	1.6
121.10144	3.9
122.03648	6.6
122.07278	0.9
123.04432	1.6
123.08063	4.6
123.10017	2.0
123.11720	1.7
124.02499	1.7
124.05212	100.0
125.05555	1.9
129.05408	0.7
131.04953	0.8
132.05702	0.7
133.02831	2.2
133.06500	43.8
134.06836	0.9
135.04405	0.6
137.03049	5.2
137.05983	82.5
137.09573	4.6
137.13249	0.9
138.06317	1.5
142.03510	18.4
147.04420	8.0
147.08022	2.1
147.11684	5.5
150.06796	1.9
151.07524	0.8
160.04553	4.1
165.01794	1.7
165.05409	4.4
165.06915	1.3
165.09125	18.6
165.11363	0.8
165.12764	15.3
166.05072	0.7
166.08618	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	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35857	0.5
56.96569	5.3
60.67729	0.5
63.78387	0.5
66.85254	0.5
71.05832	1.3
71.95264	0.5
82.01462	0.7
82.99848	8.0
84.71721	0.5
97.41888	0.4
98.97595	9.5
100.02485	1.7
101.00885	64.5
102.00974	1.8
116.98640	3.3
119.01925	100.0
120.02045	2.2
124.02451	10.0
133.00768	0.8
137.02965	13.8
142.03506	73.6
143.03670	1.7
160.04553	11.1
160.07011	0.5
161.04680	0.5
165.00761	0.7
165.05122	1.4
182.99617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	3-(3,4-dihydroxyphenyl)prop-2-enal
Peak:m/z	Relative Intensity
53.03957	2.2
55.01870	1.3
55.05504	1.3
56.96562	1.4
57.03437	2.0
61.02916	1.6
64.03117	0.5
65.03928	0.6
67.05501	2.3
68.99787	0.4
69.03431	7.7
69.81229	2.4
71.04993	1.0
71.67970	0.5
77.03925	1.7
79.05495	5.0
81.03428	2.4
81.07050	2.0
82.99841	1.6
83.05003	2.3
85.02911	3.4
91.05498	2.9
92.02603	2.1
93.07041	1.2
94.04161	0.8
95.04983	4.9
95.08614	2.0
98.20783	0.5
99.04454	0.6
100.02496	1.0
101.00883	20.4
101.02567	1.4
102.01025	0.8
102.02248	0.7
105.03392	1.7
105.04514	1.2
105.07020	2.4
107.01319	15.6
107.04987	3.1
107.08581	1.5
109.06536	3.6
109.10158	1.0
111.04464	0.7
119.01926	54.0
119.04935	2.9
119.08601	2.4
119.97299	1.1
120.02058	1.7
120.08083	0.7
121.02856	0.9
122.03651	30.1
123.08083	1.1
124.02454	3.4
125.05982	1.2
128.97832	0.6
129.05507	1.1
131.48053	0.6
133.02818	0.9
135.04437	3.0
137.02982	11.6
137.05968	1.1
137.09616	0.8
140.48631	0.7
142.03510	36.3
142.96722	0.8
143.03638	1.1
147.04443	4.9
147.08044	0.9
147.11690	1.7
148.76985	0.6
149.49124	0.5
150.03127	34.4
151.03482	0.8
160.04575	8.4
164.92058	0.6
165.01859	3.8
165.05479	100.0
165.09100	3.3
165.12740	2.6
166.05809	2.0
168.04192	20.4
183.02898	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
52.93341	0.6
53.00296	0.8
53.03949	5.2
53.19213	0.5
55.01876	19.4
55.05505	1.6
57.03428	2.4
59.05005	6.1
61.02913	1.0
65.00309	1.0
65.03938	3.4
67.01862	2.1
67.05493	1.4
68.99796	16.6
69.03074	0.7
69.03435	12.1
70.17328	2.1
72.70501	0.5
73.02917	0.7
79.01862	11.0
79.05490	1.5
81.03425	25.3
81.07053	1.9
82.99827	0.8
83.04984	4.3
85.02913	2.8
88.36285	0.5
91.05507	2.8
92.99774	20.9
93.07057	1.5
95.01331	0.7
95.04990	3.0
95.08607	1.6
97.02899	7.4
99.00824	12.4
99.04439	1.1
100.02470	0.7
101.00885	12.1
104.72360	0.5
105.07043	1.7
107.08595	1.2
109.02883	5.4
109.06524	1.1
109.10172	1.3
111.00810	1.0
111.04465	1.0
117.01868	1.2
119.01933	32.4
119.04926	2.5
119.08588	1.9
120.02017	0.8
121.02886	1.2
121.10139	1.1
123.00822	1.4
123.08036	1.3
123.11739	0.7
124.02443	3.0
124.08703	1.0
127.03903	0.6
129.05482	0.9
137.02173	10.0
137.03151	2.7
137.05983	1.1
137.09612	1.4
141.01819	7.8
142.03516	22.8
143.03589	1.0
147.00809	1.3
147.04414	3.3
147.06438	0.6
147.08104	0.9
147.11693	0.9
148.08572	0.5
155.03419	2.8
160.04573	5.8
165.01848	100.0
165.09097	1.8
165.11412	1.2
165.12746	2.3
166.02139	2.8
183.02905	58.9
184.03246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25425	0.6
56.96564	0.9
70.55649	0.5
71.54807	0.7
75.11240	0.5
82.01423	1.2
82.99847	7.6
100.02505	1.0
101.00887	58.1
102.00964	0.7
118.03439	0.6
119.01928	100.0
120.02024	2.3
122.82217	0.6
124.02457	12.6
137.02960	15.2
142.03510	74.2
143.03627	2.5
160.04562	12.3
165.05128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03951	5.4
55.01875	15.8
55.05510	2.1
56.96577	1.6
57.03438	4.2
59.05000	7.1
61.02932	2.2
65.03946	2.6
67.01873	2.1
67.05505	2.2
68.99794	16.8
69.03433	15.8
71.04975	1.0
73.02921	0.8
79.01858	10.1
79.05494	1.2
81.03423	21.9
81.03908	1.1
81.07061	2.3
82.01457	0.7
82.99837	3.2
83.04993	3.4
85.02895	3.6
91.05491	3.5
92.99770	20.6
93.07057	1.2
93.73899	0.6
95.04974	4.7
95.08615	1.9
97.02900	6.3
99.00818	11.8
99.04446	1.9
100.02479	2.0
101.00888	35.8
101.02577	1.9
105.07042	2.2
107.05020	0.7
107.08601	1.3
109.02915	4.7
109.06521	1.6
109.10161	1.6
111.00826	0.7
111.04468	2.1
117.01811	0.9
118.03520	0.8
119.01929	100.0
119.04900	4.2
119.08599	2.4
119.97378	1.2
120.02036	1.7
121.02903	1.1
121.10170	1.1
123.00816	1.3
123.04432	0.6
123.08091	1.5
124.02450	7.4
128.97868	1.3
129.05534	0.9
137.02960	20.2
137.05974	2.4
137.09660	1.3
141.01830	6.5
142.03510	66.8
142.96658	0.7
143.03636	2.7
147.00778	1.6
147.04424	6.1
147.08064	1.0
147.11671	1.5
155.03357	3.1
160.04575	16.3
160.05930	1.1
160.07338	0.6
165.01846	88.6
165.05083	7.0
165.09125	2.6
165.10356	0.6
165.12758	3.6
166.02159	1.4
166.05145	0.9
169.15533	0.6
173.56319	0.6
183.02898	50.2
183.71257	0.6
184.03270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.6
53.00298	0.8
53.03951	5.9
55.01623	1.2
55.01873	15.8
55.05506	1.2
55.15915	0.6
57.03426	2.9
59.05003	7.2
61.02915	1.2
65.03947	3.7
67.01871	1.6
67.05495	1.7
68.99432	1.3
68.99791	16.7
69.03076	0.8
69.03436	13.2
69.07063	0.9
69.85718	2.7
69.86130	1.2
79.01864	11.5
79.05495	2.2
81.03423	24.1
81.07058	2.9
82.99848	1.5
83.04977	3.4
85.02908	3.0
91.05482	3.1
92.99770	23.7
93.07056	1.8
95.01287	0.8
95.04961	2.8
95.08604	1.9
97.02909	5.6
99.00819	12.7
99.04435	1.4
101.00885	17.1
102.00912	0.6
105.07023	5.0
107.08596	4.4
109.02883	5.1
109.06517	1.9
109.10180	0.6
111.00834	1.2
111.04432	1.4
117.01895	1.1
119.01930	46.5
119.04926	2.6
119.08585	3.6
120.02020	1.8
121.02863	1.3
121.10155	1.7
123.00793	0.8
123.08021	1.2
124.02481	3.9
129.05525	1.2
137.02309	9.1
137.03058	5.4
137.06000	2.1
141.01836	6.2
142.03510	34.5
143.03682	0.8
147.00757	1.5
147.03363	0.7
147.04388	3.6
147.11685	4.2
150.20665	0.8
155.03391	2.9
160.04584	6.4
165.01846	100.0
165.05212	3.4
165.09015	0.9
165.11581	0.7
165.12782	4.6
166.02136	1.9
180.63744	0.8
183.02901	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0707
Annotation	WF 5239
Peak:m/z	Relative Intensity
51.02409	0.2
53.03943	2.9
54.20181	0.2
55.01894	0.6
55.05534	0.8
56.96564	2.0
57.03463	0.5
59.05008	0.3
61.02962	0.3
63.92942	1.2
65.03947	1.3
67.01899	0.3
67.05506	1.8
67.52658	0.3
69.03444	1.5
69.83617	1.0
70.02946	0.5
70.06617	0.5
71.05016	0.6
72.08174	0.3
77.03960	0.8
78.95280	2.4
79.05495	2.0
80.05055	0.7
81.03441	0.9
81.07056	1.4
83.04984	0.5
85.02874	0.5
90.04273	0.6
91.05484	12.0
92.05845	0.5
93.03454	0.3
93.05790	1.3
93.07045	5.8
94.06590	1.0
95.04971	4.3
95.08637	0.3
96.04491	0.3
97.02930	0.3
98.97610	0.5
100.02519	0.9
101.00881	4.6
103.05508	0.4
104.05841	1.1
105.04508	1.4
105.07053	0.5
107.04982	0.4
108.04507	1.2
108.05233	0.4
108.08128	4.6
108.08871	0.3
109.06564	0.7
109.10232	0.3
116.05035	0.3
118.03685	0.7
118.06557	1.2
118.07330	0.2
119.01928	13.9
119.04945	6.1
119.08589	1.2
119.97921	1.3
121.06537	0.3
121.10132	0.3
122.06026	2.5
122.94230	0.9
123.04440	0.6
124.02463	0.7
125.49284	0.2
126.05516	2.5
132.05296	1.3
133.02840	0.5
134.06017	0.4
134.19829	0.2
136.07584	100.0
137.02968	3.2
137.05959	0.9
137.07944	2.5
139.48410	0.2
140.07069	3.6
140.95273	0.9
142.03506	9.7
146.02313	0.3
146.05991	1.4
147.04413	9.4
147.07980	0.4
158.96338	1.4
160.04558	2.4
163.96873	0.4
164.03047	0.3
164.04428	2.4
164.07056	15.1
164.10515	1.3
165.05460	0.9
165.07469	0.7
165.09105	0.7
178.83163	0.3
181.97772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0706
Annotation	WF 5239
Peak:m/z	Relative Intensity
51.12748	0.3
52.72936	0.3
53.03952	3.3
55.05528	0.6
56.96569	0.4
65.03941	0.6
67.05499	1.9
69.03434	0.6
69.96897	1.2
69.97299	0.6
77.03941	1.1
79.05494	1.7
80.05022	0.7
81.03430	0.6
81.07051	2.0
91.05482	8.0
92.05827	0.3
93.05804	1.1
93.07053	5.6
94.06580	0.6
94.07389	0.6
95.04984	2.8
95.08632	0.9
105.04540	1.0
105.07029	0.8
107.07420	0.3
107.08620	0.9
108.04484	0.9
108.08128	3.2
108.08936	1.2
109.10126	0.5
112.25816	0.3
119.01955	0.5
119.08648	0.6
121.10220	0.4
122.06016	2.1
122.10468	0.4
123.11739	0.3
126.05534	2.5
136.07582	100.0
137.07951	2.3
140.07068	2.6
147.04411	0.7
164.04195	0.5
164.07063	12.8
164.15138	0.5
165.05492	0.4
165.07436	0.4
165.08897	0.3
165.12724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03948	8.5
54.40029	0.8
55.05510	7.6
56.96529	1.0
57.07071	3.6
61.34666	0.9
67.05515	9.5
69.07074	18.8
69.71227	2.5
69.71641	2.8
71.08627	1.2
75.97134	0.9
77.03915	2.1
79.05496	33.3
80.05823	0.9
81.03416	1.0
81.04555	0.9
81.07062	52.1
82.07384	0.9
83.08613	7.6
85.12959	0.9
85.97595	1.0
91.05486	15.7
92.02617	2.1
93.07051	43.8
94.07357	1.0
95.04975	7.9
95.08612	33.5
96.08932	1.3
96.43433	0.8
100.02491	3.1
103.05493	1.9
105.03401	3.3
105.04505	4.4
105.07043	7.7
107.04970	6.3
107.08601	100.0
108.08936	1.3
109.06477	1.8
109.10154	1.1
113.69744	0.9
115.05455	0.9
117.07019	4.1
119.06049	1.1
119.08570	4.3
120.02050	1.1
121.06519	1.8
121.10145	37.5
130.06578	1.4
131.04892	1.3
132.08105	1.9
133.02869	15.3
135.04422	19.1
135.08054	2.1
135.11702	13.0
136.07588	1.3
145.06461	2.0
145.10146	2.5
163.03912	62.2
163.07576	2.9
163.09882	1.6
163.11200	9.4
163.12477	1.8
163.14832	63.1
164.07114	1.1
164.15141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03947	6.4
55.05516	7.6
57.07069	3.3
65.03927	0.9
67.05505	9.0
68.93211	0.8
69.03423	1.2
69.07071	20.9
70.82428	1.8
71.08621	2.6
77.03934	2.3
79.05055	1.5
79.05499	26.5
81.07062	47.4
83.08617	8.6
91.05488	12.8
92.02628	1.0
93.07053	49.3
95.04982	5.5
95.08614	31.8
97.10129	1.2
100.02499	1.3
103.05421	1.3
105.03380	3.6
105.04506	2.4
105.07044	6.9
107.04964	2.0
107.08601	100.0
108.08937	1.9
109.06563	1.5
109.10195	1.6
117.03413	0.8
117.07005	1.6
119.01814	0.9
119.06028	1.2
119.08591	3.3
121.06534	2.8
121.10152	32.7
121.11032	1.7
130.06523	1.1
130.07758	1.2
132.08084	1.5
133.02849	10.2
135.04427	11.2
135.08080	2.2
135.11703	13.0
136.04750	0.8
145.10138	2.4
159.11949	0.8
163.03914	38.0
163.07516	1.7
163.11186	4.5
163.14830	65.8
164.15164	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02384	0.8
52.16755	0.7
53.03942	5.5
55.01874	0.7
55.05517	5.5
56.96564	2.0
58.77283	0.6
59.65528	0.7
65.03950	1.1
67.05503	5.6
69.07074	9.3
69.62421	4.6
77.03925	2.2
79.05495	34.5
81.03429	1.4
81.07060	65.7
82.01432	1.3
82.07395	1.6
83.08630	4.1
91.05483	9.5
92.02637	1.9
93.07051	21.6
94.07363	0.7
95.04987	5.6
95.08610	19.2
98.21527	0.7
98.97604	0.8
100.02481	2.8
103.05486	2.0
105.03397	3.0
105.04528	2.3
105.07040	6.6
107.04964	2.9
107.08597	100.0
108.08897	1.5
109.06530	1.1
109.10175	0.8
110.01315	0.7
117.07035	2.1
118.03497	1.1
119.01862	0.6
119.06059	0.8
119.08578	1.9
121.06498	1.7
121.10146	12.4
122.93715	0.6
128.19678	0.6
130.06538	0.8
131.04956	2.0
133.02852	11.2
135.04419	15.1
135.08038	1.9
135.11703	5.7
138.83487	0.8
145.10126	1.5
149.11082	0.7
160.13272	1.0
163.03914	49.0
163.07573	2.0
163.11156	6.2
163.14825	26.7
164.04279	1.3
164.07140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28194	0.7
51.02386	1.0
53.03948	5.8
55.05515	8.8
57.07084	1.7
62.61726	0.7
64.92463	0.7
65.03967	1.6
67.05511	9.9
69.07078	19.3
69.27366	7.6
71.08633	1.0
77.03919	1.2
79.05501	34.1
81.07066	51.6
83.08636	9.0
89.03891	1.1
91.05488	13.0
92.02626	1.4
92.07309	0.7
93.07055	47.8
95.04994	5.9
95.08617	31.9
97.10190	1.5
98.21605	0.8
100.02506	1.0
103.05489	1.3
105.03417	3.5
105.04538	2.5
105.07036	7.0
107.04974	2.5
107.08605	100.0
108.08906	1.6
109.06567	1.6
109.10174	2.5
117.03383	1.4
117.07054	1.4
118.03535	0.8
118.77006	0.7
119.06041	1.2
119.08611	2.7
121.06516	1.8
121.10155	31.4
127.26112	0.8
130.06607	1.1
131.04999	1.0
132.08073	1.3
133.02858	10.7
133.10077	0.7
135.04440	14.2
135.11702	11.6
145.10164	2.1
149.01822	1.0
163.03925	41.8
163.07524	1.4
163.11192	4.1
163.14839	60.6
164.04263	1.0
164.15172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01603	0.7
51.02369	1.6
53.03740	0.8
53.03950	10.4
55.01855	2.0
55.05516	7.2
56.96568	4.7
57.07068	0.9
65.03941	1.6
67.05221	0.7
67.05508	7.7
69.03420	1.6
69.06718	1.1
69.07073	14.9
69.80819	1.1
69.81212	2.0
71.95271	0.6
77.03932	3.5
79.05497	32.4
80.05040	0.6
81.03413	1.7
81.07063	39.5
82.01425	1.7
83.08625	5.7
85.02922	0.6
89.03925	1.6
91.05480	13.3
91.06004	1.1
92.02629	3.7
92.03117	0.7
93.07054	37.9
95.04379	0.6
95.04979	13.5
95.08612	23.1
98.21467	1.2
98.97616	1.2
100.02490	4.1
102.03349	0.7
103.05483	5.5
105.03419	5.3
105.04527	5.3
105.07032	10.1
107.04971	6.0
107.08602	65.3
109.06506	2.2
109.10155	1.0
115.05467	1.6
117.03397	1.2
117.05786	0.9
117.07017	3.7
118.03543	1.8
119.06093	0.8
119.08581	4.9
120.02068	1.2
121.06494	4.5
121.10150	26.5
122.10471	0.8
127.76651	0.7
129.07082	0.7
130.06561	1.9
130.07741	1.4
131.04936	5.4
132.08105	2.2
133.02863	26.4
133.10164	0.8
135.04424	30.8
135.08049	3.8
135.11696	9.1
138.03203	1.0
140.06746	2.9
145.06483	1.2
145.10130	5.3
163.03915	100.0
163.07529	5.4
163.11182	14.5
163.12427	1.5
163.14833	35.4
164.04327	1.5
164.05789	0.7
164.07080	1.5
164.15128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03952	7.8
55.01869	1.0
55.05511	8.2
56.96580	3.5
57.07081	0.9
65.03938	0.7
67.05506	8.3
69.03425	1.2
69.06718	1.0
69.07073	15.3
72.43026	0.6
76.32078	0.7
77.03934	2.9
79.05495	35.8
80.05828	0.8
81.03427	1.0
81.07059	78.0
82.01441	2.4
82.07378	1.0
83.04984	1.1
83.08621	7.3
91.05483	11.4
92.02620	2.1
93.07050	36.4
95.04977	8.4
95.08611	28.0
97.10166	1.1
98.97580	1.0
99.14835	0.7
100.02493	7.7
103.05477	2.5
105.03396	4.1
105.04504	3.3
105.07034	9.6
107.04968	4.3
107.08597	100.0
108.08938	1.7
109.06510	2.0
109.10157	2.2
117.07022	2.6
118.03529	3.0
119.01800	0.8
119.06027	0.9
119.08574	4.9
120.02106	1.1
121.06512	4.5
121.10142	24.4
123.04076	0.8
130.06538	0.8
130.07777	1.0
130.57468	0.6
131.04938	4.2
131.08894	0.9
132.08087	1.3
133.02863	20.6
133.10136	1.1
133.40724	0.6
135.04419	20.6
135.08029	2.1
135.11707	8.5
139.57936	0.9
140.09399	3.1
145.06509	2.1
145.10109	4.7
147.11612	0.7
147.52003	0.6
149.09904	3.0
159.99879	0.6
161.13258	1.2
163.03914	70.8
163.07491	3.6
163.11174	12.0
163.14824	42.8
164.04233	1.6
164.15222	1.5
167.20885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.3
53.03948	10.9
55.01864	2.1
55.05513	7.4
56.96579	4.7
57.03433	1.3
57.07084	1.5
61.02937	1.1
65.03929	1.6
67.05506	11.6
68.19878	0.8
68.99809	1.0
69.03423	3.6
69.06712	1.6
69.07069	19.7
71.57754	1.1
77.03913	1.9
78.48419	1.0
79.05499	42.7
81.03425	2.0
81.07060	54.0
82.01443	2.4
83.08620	7.8
89.03928	1.7
91.05486	16.4
92.02635	3.5
93.07051	46.0
94.07384	0.9
95.04971	13.8
95.08614	26.2
98.97579	2.1
100.02486	7.3
103.05486	4.9
103.50909	0.9
105.03394	4.9
105.04523	6.0
105.07038	13.0
106.07330	0.9
107.04963	6.5
107.08601	89.8
108.08954	1.1
109.06501	1.2
109.10157	2.5
109.90826	0.8
110.97672	0.9
117.07019	6.2
118.03521	5.2
119.01818	1.5
119.08570	6.2
120.02071	1.2
121.06500	8.8
121.10151	32.2
130.06511	1.5
130.07840	2.2
130.52580	1.2
131.04898	2.6
132.08070	2.6
133.02859	29.6
133.05118	0.8
135.04434	29.2
135.08022	4.6
135.11697	11.7
139.58714	1.7
140.09367	3.6
140.59535	1.4
145.06505	1.8
145.10130	9.0
149.09920	2.0
151.60208	0.9
160.13435	0.9
163.03918	100.0
163.07582	3.9
163.11183	20.1
163.12485	2.2
163.14835	43.0
164.04268	2.9
164.06982	1.7
169.07106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.7
51.02369	1.6
53.03740	0.8
53.03950	10.4
55.01855	2.0
55.05516	7.2
56.96568	4.7
57.07068	0.9
65.03941	1.6
67.05221	0.7
67.05508	7.7
69.03420	1.6
69.06718	1.1
69.07073	14.9
69.80819	1.1
69.81212	2.0
71.95271	0.6
77.03932	3.5
79.05497	32.4
80.05040	0.6
81.03413	1.7
81.07063	39.5
82.01425	1.7
83.08625	5.7
85.02922	0.6
89.03925	1.6
91.05480	13.3
91.06004	1.1
92.02629	3.7
92.03117	0.7
93.07054	37.9
95.04379	0.6
95.04979	13.5
95.08612	23.1
98.21467	1.2
98.97616	1.2
100.02490	4.1
102.03349	0.7
103.05483	5.5
105.03419	5.3
105.04527	5.3
105.07032	10.1
107.04971	6.0
107.08602	65.3
109.06506	2.2
109.10155	1.0
115.05467	1.6
117.03397	1.2
117.05786	0.9
117.07017	3.7
118.03543	1.8
119.06093	0.8
119.08581	4.9
120.02068	1.2
121.06494	4.5
121.10150	26.5
122.10471	0.8
127.76651	0.7
129.07082	0.7
130.06561	1.9
130.07741	1.4
131.04936	5.4
132.08105	2.2
133.02863	26.4
133.10164	0.8
135.04424	30.8
135.08049	3.8
135.11696	9.1
138.03203	1.0
140.06746	2.9
145.06483	1.2
145.10130	5.3
163.03915	100.0
163.07529	5.4
163.11182	14.5
163.12427	1.5
163.14833	35.4
164.04327	1.5
164.05789	0.7
164.07080	1.5
164.15128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03948	8.5
54.36108	1.0
55.01876	1.2
55.05516	9.2
56.96557	2.9
57.03414	1.0
65.03948	1.2
67.05504	6.5
69.03426	2.7
69.07069	14.3
70.16340	2.9
77.03930	3.0
79.05495	45.4
81.03425	1.7
81.07059	76.1
81.56896	0.8
82.01439	2.6
82.07399	1.8
83.08620	7.5
85.02917	1.0
91.05483	13.2
92.02636	2.4
93.07047	41.3
95.04979	9.7
95.08610	26.5
98.97572	1.7
100.02503	6.9
103.05461	3.2
105.03407	5.5
105.04507	3.8
105.07033	10.1
107.04969	4.7
107.08599	100.0
108.08934	2.1
109.06533	1.3
109.10159	1.8
116.65305	0.8
116.98615	0.8
117.03386	1.0
117.07014	3.1
118.03499	2.4
119.01801	1.4
119.06074	1.0
119.08559	3.3
121.06504	11.5
121.09295	1.8
121.10146	24.1
130.06552	2.2
130.07701	1.0
131.04933	3.2
132.08066	2.0
133.02858	20.0
135.04424	24.0
135.08049	3.8
135.11703	9.7
136.07611	0.9
144.90147	0.9
145.06453	1.3
145.10143	4.2
149.09950	0.9
163.03912	74.6
163.07544	2.8
163.11162	13.6
163.12411	1.6
163.14827	43.2
164.04265	1.4
164.07025	0.9
164.15184	0.8
172.85188	0.9
179.05644	0.9
179.74608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.01613	0.8
53.03945	4.6
55.01876	4.2
55.05517	3.9
56.96562	2.3
57.03438	1.4
57.07085	1.0
63.08967	0.8
65.03960	1.4
67.05515	4.6
68.70808	0.7
69.03430	7.2
69.07082	6.8
71.04993	3.0
71.06316	1.0
77.03930	1.2
79.05498	18.6
81.03428	1.2
81.07061	14.4
83.04977	2.2
83.08620	1.8
85.02899	1.0
89.03938	2.7
91.05491	22.0
93.07051	33.5
95.04982	9.6
95.08618	5.4
102.04727	0.7
103.05475	100.0
104.05807	1.8
105.04507	1.8
105.07041	22.9
106.06556	0.9
106.07286	0.8
107.04977	6.5
107.08600	49.2
107.98447	0.7
109.06533	2.2
115.05460	3.1
117.03365	1.3
117.07021	13.7
119.04984	1.1
119.08600	15.8
120.09347	0.9
121.06514	9.5
121.10151	31.5
123.08062	1.2
130.07788	9.3
131.04935	99.8
132.05301	2.4
132.08064	1.2
133.02890	2.6
133.06502	1.9
133.10178	2.1
135.04413	8.2
135.08063	7.7
135.11697	18.0
136.07584	2.1
140.04185	0.7
143.08553	2.2
145.02884	1.8
145.06497	3.2
145.10135	31.5
147.08043	1.6
148.08865	3.3
163.03918	20.5
163.05214	1.5
163.07547	24.9
163.11189	63.6
163.14828	9.7
164.07082	2.4
164.11670	1.0
177.92828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.61860	1.2
51.02388	2.4
53.03946	15.2
55.01865	4.4
55.05513	15.7
56.96559	2.9
57.03438	2.0
57.07073	1.8
61.02901	2.2
63.02333	1.2
65.03941	2.2
67.05514	14.9
69.03431	21.0
69.07069	12.3
70.04005	4.3
71.04980	3.7
72.50558	1.1
75.42921	1.5
77.03930	3.0
79.05497	53.0
80.05859	1.3
81.03417	2.2
81.07063	53.3
82.01440	1.8
83.04981	2.8
83.08617	4.9
85.02917	1.9
91.05481	34.2
92.02620	4.4
93.07048	96.6
94.07425	1.5
95.04963	18.9
95.08607	26.5
97.06528	1.5
100.02475	3.9
103.05462	8.1
105.03391	5.7
105.04508	6.5
105.07037	41.3
106.44138	1.2
107.04964	9.7
107.08599	100.0
108.08927	1.8
109.06517	4.2
109.10146	2.1
117.07032	11.0
118.03513	2.0
119.04885	1.9
119.08585	15.2
120.02090	1.8
121.06512	86.4
121.09309	2.1
121.10155	41.0
123.08112	1.4
130.06534	2.4
130.07777	11.7
131.04893	3.5
133.01949	2.3
133.02866	27.5
133.06404	2.1
133.85583	1.3
135.04431	29.1
135.08057	12.6
135.11688	28.7
143.08600	3.5
143.48889	1.3
145.06500	2.3
145.10126	45.3
148.08885	2.0
163.03914	98.8
163.07524	5.3
163.11194	81.2
163.13506	1.9
163.14836	27.8
164.04289	2.8
164.07059	1.5
164.11621	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	163.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68429	0.4
51.02396	1.1
52.10786	0.4
53.03951	2.6
53.38214	0.3
55.01861	1.0
55.05513	2.3
56.96571	0.9
57.03436	9.6
57.07074	10.2
58.99574	0.3
59.05014	0.8
61.02920	0.5
62.01610	0.4
63.02365	0.5
63.98588	0.4
65.03934	1.2
67.05501	5.2
69.03433	2.8
69.07069	5.9
69.17614	0.4
70.95888	0.8
70.96218	0.4
71.05000	2.4
77.03931	1.3
77.09143	0.3
79.05492	10.5
81.03419	0.8
81.07056	3.2
81.10784	0.4
83.04974	0.5
83.08611	1.5
85.02897	1.2
85.06542	10.6
89.03915	19.8
91.05477	8.9
92.09243	0.4
93.07037	9.1
95.01361	0.6
95.04974	5.7
95.08598	3.0
97.02893	0.4
99.08148	0.5
101.06010	1.0
102.04719	0.5
102.96796	0.5
103.05468	90.2
103.07574	15.2
104.05796	1.8
105.03401	0.9
105.04517	1.5
105.06374	0.6
105.07033	7.1
106.06547	0.6
107.04955	10.8
107.08595	19.7
108.08124	0.7
109.06542	1.1
109.10162	1.3
115.05461	1.9
117.03379	16.6
117.07026	5.5
118.07403	0.4
119.04948	1.7
119.06065	0.5
119.08588	3.1
121.06512	2.2
121.10139	10.5
123.08105	0.5
129.06976	0.5
130.06538	1.1
130.07788	1.3
131.04927	100.0
132.05206	2.6
132.08102	1.1
133.02835	3.6
133.10127	1.2
135.04417	29.9
135.08040	5.2
135.11685	3.8
136.04778	0.6
136.07553	3.8
136.08415	0.5
145.02852	10.1
145.03923	0.6
145.06487	1.4
145.10130	4.1
146.05989	0.5
148.05299	0.3
153.55392	0.3
158.96371	0.4
163.03908	37.6
163.07535	27.4
163.08557	1.5
163.11162	7.6
163.12350	0.6
163.14812	6.2
164.07068	1.4
167.84932	0.4
181.02754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0868
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
53.03930	0.8
54.01683	0.2
55.01864	0.7
55.05503	0.9
56.05034	0.3
56.96569	16.1
57.03444	1.3
60.95600	0.2
60.95858	1.9
61.02916	0.5
63.92928	0.9
65.03926	0.6
67.05511	1.0
69.03433	2.3
69.07053	0.3
70.06255	0.2
70.06597	3.0
70.21184	0.9
70.98095	0.6
71.05002	0.7
71.95251	0.5
72.08148	0.7
72.96014	0.2
73.02896	1.0
74.97620	0.4
75.94560	0.3
78.95281	1.3
79.05485	1.7
81.03416	0.9
81.07042	0.6
81.93970	0.3
82.01785	0.3
82.06575	0.3
83.04964	0.5
84.01560	0.5
84.04498	0.4
84.08132	1.0
84.96042	1.2
85.02907	2.2
85.06562	0.5
89.03918	3.6
90.01547	0.5
91.05482	1.3
92.05003	0.8
93.02026	0.3
95.04990	1.1
96.01528	0.5
97.02319	0.4
97.02885	0.9
97.96775	0.4
97.99193	0.7
98.01295	0.3
98.06059	0.3
98.21408	0.4
98.97592	6.7
99.04433	0.6
100.11246	0.3
100.99133	0.6
102.09174	0.4
102.53165	0.3
102.96874	7.5
103.00580	0.4
103.02364	0.2
103.05473	2.3
103.97205	0.5
105.04538	0.4
105.07032	0.8
106.06548	0.6
107.02556	0.2
107.04963	8.5
107.08585	0.6
108.05288	0.3
109.02905	0.5
110.01303	0.3
110.06025	0.3
110.97597	1.1
111.00325	0.2
111.02061	0.5
111.04472	0.3
111.53666	0.4
112.07610	3.5
112.99152	0.5
113.03531	0.2
113.07900	0.3
115.08699	0.4
116.00182	0.3
116.03674	0.4
116.07159	0.3
116.98619	2.2
117.02010	0.3
117.03384	3.4
117.05745	0.6
117.07040	0.4
118.06553	2.4
119.00191	0.6
119.01823	0.5
119.08601	0.3
119.97873	0.7
120.08114	0.3
120.97910	4.2
121.00774	0.6
121.01666	1.0
121.06472	0.3
121.99173	0.4
122.94220	0.7
125.04218	0.4
127.00676	0.3
127.03909	0.3
128.02318	0.2
128.10738	0.3
128.97791	0.3
128.98637	1.2
130.06508	1.0
130.08649	0.7
130.12299	0.2
131.00182	0.9
131.04926	2.2
131.12624	0.5
132.06808	0.4
132.08083	1.0
133.02858	0.8
133.07623	17.0
134.07968	0.4
134.99643	0.3
135.04424	7.1
135.08015	0.3
136.07605	1.2
137.05945	0.4
137.98315	0.3
138.98947	1.4
139.08667	0.3
140.00201	1.6
140.06989	0.3
140.95256	0.8
140.98550	0.3
141.02177	0.4
142.01733	0.3
143.00179	0.8
144.98007	0.3
145.01703	0.6
145.02858	2.0
145.03912	0.4
145.07608	17.5
146.08398	1.7
146.99643	0.4
149.01215	0.8
149.55191	0.3
149.56285	0.3
156.03275	1.5
156.99956	0.2
158.01260	1.6
158.04706	0.4
158.96307	0.8
158.99660	0.5
159.03342	0.6
160.02740	0.2
160.13345	0.6
161.01271	0.5
163.03957	7.6
163.08670	100.0
164.07051	0.5
164.09091	1.9
167.07076	0.5
168.03337	0.3
174.04381	1.5
176.02345	0.3
181.02829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46002	0.8
53.03944	1.9
55.01865	1.9
55.05511	6.2
56.05025	1.4
56.96571	35.7
57.03438	7.5
57.07078	4.8
58.06601	2.5
58.99747	1.0
59.04982	2.1
60.08148	1.0
60.95854	9.6
61.02922	1.5
64.95555	1.0
65.03934	1.5
67.05164	1.7
67.05506	21.7
69.03431	8.8
69.07076	11.5
70.02036	4.1
70.03770	1.4
70.06580	4.6
70.98129	2.3
71.01358	1.1
71.04989	5.6
71.95252	1.1
72.08160	4.3
73.02933	4.1
73.06550	2.9
74.97596	1.2
75.01046	1.0
75.94556	2.2
81.03424	4.5
82.49250	0.8
83.05013	1.1
84.01558	1.4
84.08127	4.9
84.96031	1.1
85.02914	8.1
85.06547	39.3
85.08932	3.5
86.03229	1.9
87.04469	1.7
87.08103	2.0
88.07659	1.1
90.01555	3.0
94.07311	0.9
97.02335	1.8
97.02894	8.3
97.96779	1.2
98.03172	4.0
98.06079	1.6
98.91940	0.8
98.97593	23.6
99.02061	2.5
99.08089	15.6
100.11244	6.0
100.99135	2.4
101.97189	1.7
102.00955	1.4
102.01565	1.3
102.09184	100.0
102.96873	54.4
103.03978	0.9
103.09533	1.5
104.01305	1.1
106.06538	1.2
109.02888	1.6
110.01297	2.5
110.97569	2.3
112.11246	9.9
112.99147	1.6
113.01819	1.3
114.26633	0.9
115.00706	4.9
116.01048	1.9
116.07120	1.0
116.98615	6.6
117.02094	1.3
117.05627	0.9
117.09131	4.1
118.01021	1.3
119.01842	3.9
120.02004	5.2
120.08083	2.3
120.97916	25.0
121.01630	2.0
125.03671	0.8
127.01557	0.9
128.02359	0.9
128.10712	2.0
128.98653	2.2
129.02327	1.0
130.06531	1.5
130.12282	79.2
131.00197	1.9
131.12614	1.2
132.08104	1.7
133.01773	2.2
133.95865	0.9
134.99614	1.2
138.03098	1.4
138.98941	8.0
143.00183	1.7
143.99544	1.6
144.10204	1.7
144.13876	1.4
145.01802	1.2
147.41447	0.8
149.01176	1.0
159.03412	1.4
160.03673	0.9
161.01256	2.1
162.03598	1.3
162.05548	1.2
162.09071	1.5
162.11270	3.4
162.13895	2.0
162.14944	22.1
163.03934	1.7
163.08669	1.7
163.12289	1.3
177.04340	3.4
178.04684	2.3
179.02299	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	163.0754
Annotation	Cleviolide
Peak:m/z	Relative Intensity
50.05617	0.7
51.02386	1.9
52.66239	0.6
53.03951	10.3
55.01873	5.7
55.05514	2.9
57.03430	1.2
65.03944	0.9
67.05503	2.5
69.03436	1.7
69.07071	4.9
73.79724	0.7
77.03946	4.2
79.05495	38.6
80.61322	0.8
81.03432	1.7
81.07055	9.7
83.04984	0.8
83.08633	1.5
89.03916	2.2
91.05482	28.9
92.06280	4.0
93.07048	18.4
94.04181	1.0
95.04964	10.9
95.08620	6.7
100.02419	0.8
102.04694	1.5
103.05473	100.0
104.05749	1.3
105.03417	3.7
105.04557	3.7
105.07037	61.4
106.07351	0.8
107.04959	41.1
107.07863	1.3
107.08595	25.9
108.05285	0.8
108.43287	0.7
109.06547	1.5
115.05466	10.7
117.03357	1.0
117.07014	6.5
119.04951	2.8
119.06113	1.1
119.08605	2.3
120.05731	12.2
121.02901	1.5
121.06522	10.3
121.10145	11.2
122.09660	1.1
130.07767	2.3
131.04935	24.5
131.05916	1.2
132.05704	3.1
132.08054	1.1
132.65639	0.8
133.02858	5.6
133.06493	2.5
135.04439	9.9
135.08061	65.4
135.11699	4.8
136.07471	1.0
136.08420	2.2
145.02859	1.3
145.06479	3.1
145.07590	1.3
145.10132	7.2
148.05223	6.7
148.08755	1.3
163.03917	18.7
163.07545	50.8
163.11176	21.0
163.12508	1.5
163.14822	11.2
164.07947	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.48059	0.7
53.03945	2.1
55.05513	6.8
61.81096	0.7
67.05498	3.6
69.07072	7.9
77.03905	0.9
79.05510	5.4
81.07061	20.0
84.73855	0.8
87.87718	0.9
91.05486	16.1
93.07041	9.5
95.04972	0.9
95.08605	2.2
103.05460	2.1
105.07035	100.0
106.07365	1.6
107.08602	2.1
115.09469	1.4
117.07029	4.4
119.08586	89.6
120.08884	1.4
121.10149	1.2
128.06210	1.1
129.11143	1.0
130.07785	0.7
131.08559	4.5
132.09396	1.7
133.10135	32.1
134.10506	1.1
145.10115	1.3
146.07262	1.1
146.10901	2.4
159.11713	3.9
161.02271	0.8
161.05991	1.4
161.09676	3.1
161.13261	84.9
162.13602	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	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01878	0.8
55.05513	5.8
55.76041	0.5
56.52055	0.6
56.96567	1.1
67.05512	9.5
67.70880	0.5
69.07076	6.6
69.62241	3.0
78.92442	0.5
79.05499	10.6
81.03431	0.6
81.07062	23.7
83.08636	0.9
85.47739	0.6
91.05483	26.0
91.08827	0.5
93.07044	15.5
95.04919	0.6
95.08609	5.0
97.08461	1.4
98.20770	1.1
103.05468	3.7
105.03416	1.0
105.07035	100.0
106.07343	1.2
107.08608	5.2
115.05463	1.6
115.09493	2.9
117.07024	6.8
118.04168	1.2
119.08585	84.5
120.08874	1.1
121.06555	0.7
125.10331	0.6
128.06178	0.8
129.11032	0.7
131.04904	0.8
131.08582	4.9
132.09323	1.3
133.06572	3.0
133.10135	44.7
134.53265	0.6
143.08794	0.8
145.10152	0.6
146.03598	0.8
146.07304	0.9
146.10895	1.6
148.65298	0.5
153.92424	0.5
159.11693	2.4
161.02341	1.6
161.05988	9.4
161.07234	1.0
161.09628	9.0
161.13260	75.9
162.05540	1.0
162.11287	0.6
162.13585	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	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05514	2.3
66.80731	0.4
67.05527	1.9
69.07076	3.6
69.62056	0.8
69.62449	2.3
77.03927	0.4
79.05499	6.0
81.07059	11.9
91.05484	14.0
93.07053	6.8
95.04970	1.0
95.08634	1.0
97.08495	0.4
98.21471	0.8
103.05495	2.5
105.07034	100.0
106.07377	1.4
107.08598	1.6
115.05463	0.7
115.09535	0.5
117.07017	3.8
119.08585	51.3
120.08916	0.9
121.06509	1.2
121.10170	0.6
128.06197	0.6
131.04938	0.5
131.08577	3.2
132.09349	0.6
133.06493	1.4
133.10138	19.9
134.10524	0.6
143.08627	1.2
146.03642	0.5
146.07231	2.3
146.10858	1.4
151.80106	0.4
159.11708	1.6
161.02455	0.5
161.05989	2.9
161.09644	10.2
161.13264	44.5
162.13618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03942	1.7
55.05518	6.1
65.88524	0.5
67.05505	2.5
69.07070	5.2
69.80910	2.4
79.05505	8.2
81.07063	14.9
91.05486	18.2
93.07052	8.6
95.08608	1.7
103.05472	3.6
104.06222	0.7
105.07037	72.6
106.07380	1.7
107.08590	3.4
115.05442	1.1
115.09478	0.6
117.07047	4.9
118.04143	1.4
119.08588	100.0
120.08932	1.9
121.06538	1.1
121.10147	1.4
131.08591	5.0
132.09334	1.0
133.06494	2.5
133.10141	33.1
134.10498	0.7
143.08592	1.5
146.03596	1.1
146.07213	0.8
146.10905	1.3
159.11685	2.5
161.05984	5.4
161.07098	0.7
161.09641	4.8
161.13272	46.6
162.13634	0.6
179.97285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03955	0.9
55.05507	3.6
67.05503	2.7
69.07070	4.9
70.60272	2.0
73.52745	0.5
75.83961	0.6
79.05503	6.0
81.07066	10.4
90.37456	0.6
91.05487	16.2
93.07056	5.7
95.04976	1.0
95.08626	0.9
103.05478	3.4
103.73956	0.6
104.06250	0.7
105.07040	100.0
106.07354	1.5
107.08621	1.6
115.05447	0.7
115.09518	1.0
117.07014	4.5
118.07816	1.0
119.08590	87.6
120.08887	1.0
121.10167	1.7
123.37385	0.6
131.08569	4.1
132.09367	0.9
133.06477	0.8
133.10144	23.2
143.08580	0.8
145.10110	1.1
146.10921	1.8
159.11694	1.8
161.06029	2.4
161.09668	2.7
161.13272	43.6
161.71001	0.7
162.13658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	1,8-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
55.01869	0.1
55.05520	0.1
69.07041	0.1
71.11873	0.2
71.58882	0.1
72.41084	0.1
74.62105	0.1
79.05500	0.7
81.07058	0.4
90.04706	0.1
91.05482	0.9
93.07040	0.2
95.04973	0.2
103.05466	0.5
105.07038	3.9
115.05463	0.4
117.07018	0.4
118.04165	13.8
119.04491	0.2
119.08586	1.9
121.06507	0.2
128.06238	0.2
132.05823	0.1
133.06503	1.2
133.10149	1.1
133.98677	0.1
143.08507	0.2
146.03633	16.3
147.04013	0.3
161.05984	100.0
161.13251	1.4
162.06335	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	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.8
53.03945	1.3
55.01870	0.9
55.05510	5.1
56.96573	1.0
56.97120	0.5
67.05505	4.1
69.03428	4.0
69.07072	5.1
70.78179	0.5
71.46837	0.9
77.03912	0.9
79.05499	6.7
81.07063	14.9
90.08596	0.5
91.05483	23.0
93.07053	13.5
95.04981	0.7
95.08619	1.8
97.34145	0.6
97.91647	0.6
103.05465	3.4
105.07036	100.0
106.07359	2.1
107.04955	1.7
107.08612	3.0
115.05453	2.3
115.09513	1.8
115.55255	0.5
116.06226	0.8
117.07028	5.8
118.04163	1.2
119.08587	56.9
121.06501	11.6
121.10127	1.0
128.06236	6.3
131.04935	2.3
131.08582	5.4
132.05740	1.1
133.06531	4.0
133.10136	41.9
134.10457	1.2
143.08559	6.9
145.06499	2.4
146.03604	1.1
146.07275	21.7
146.10915	1.6
147.07701	0.7
159.08092	1.9
159.11713	2.1
161.06009	6.0
161.09628	85.2
161.13261	52.4
162.05525	0.7
162.09988	2.0
162.11235	0.7
162.13617	1.7
168.25996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02163	0.2
51.02382	0.3
53.03957	1.4
55.01874	0.6
55.05515	0.2
66.04735	1.5
67.05496	0.3
69.07067	0.3
69.47561	0.9
69.47974	0.5
77.03939	0.6
79.05499	8.7
81.07066	1.0
86.36440	0.2
89.03928	0.9
90.04697	4.2
91.05489	2.2
92.02632	0.8
93.07058	0.5
95.04983	1.6
97.50530	0.2
98.20736	0.3
99.51958	0.2
102.04681	0.4
103.05476	8.3
105.04514	0.6
105.07034	10.5
106.03628	0.3
106.07380	0.2
107.05021	0.3
115.05456	0.8
115.09524	0.2
115.15308	0.2
117.06992	0.2
118.04167	18.4
119.08583	4.5
128.06197	0.4
131.04961	0.9
131.08588	0.4
133.06500	28.2
133.10104	2.4
134.06863	0.5
138.06963	0.7
143.08597	0.7
146.03635	11.0
146.07294	0.5
159.11595	0.3
161.05986	100.0
161.09557	2.6
161.13239	2.8
162.06384	2.3
165.00481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	1,8-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
55.05505	0.2
60.54238	0.1
69.07068	0.2
70.44646	0.4
72.84021	0.1
79.05499	0.9
81.07041	0.4
89.03920	0.2
91.05469	0.7
93.07034	0.4
103.05450	0.6
105.07037	5.2
106.07355	0.2
107.08605	0.2
109.21431	0.1
115.05437	0.4
115.09509	0.2
117.07024	0.3
118.04163	13.6
119.04463	0.3
119.08591	2.2
121.06497	0.2
131.05005	0.1
131.08578	0.3
133.06476	1.3
133.10127	1.5
143.08556	0.4
146.03632	16.7
146.07336	0.4
146.63835	0.1
161.05983	100.0
161.09543	2.5
161.13274	1.8
162.05098	0.2
162.06340	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02383	0.5
53.03951	3.5
54.37581	0.4
55.01877	5.3
55.05495	0.6
56.96569	0.5
57.03433	0.7
61.98604	0.4
65.03931	0.7
65.11597	0.4
66.04723	1.7
66.05093	0.3
69.07095	0.6
69.46771	3.3
70.06589	0.6
70.58582	0.4
71.04991	2.7
72.95213	0.5
73.02931	0.4
76.82556	0.4
77.03931	0.5
79.05498	20.9
80.05801	0.4
81.03400	0.8
81.07052	0.6
88.62928	0.5
89.03916	1.0
90.04713	4.2
91.05487	6.4
92.02636	0.9
95.04962	3.4
97.02896	0.4
102.04707	0.6
103.05476	24.1
105.03436	0.8
105.04565	1.1
105.07037	100.0
106.07375	2.3
107.04959	1.4
115.05464	28.0
115.09513	0.9
117.07038	0.7
118.04169	21.1
119.01934	1.0
119.08589	6.4
121.06503	0.9
128.06235	1.1
129.11095	0.6
130.78157	0.4
131.04926	5.5
131.08604	0.8
132.05727	1.2
133.06502	47.6
133.10107	4.2
134.06865	1.3
143.05028	0.9
143.06039	4.6
143.08577	0.8
146.03638	1.2
146.07301	1.1
161.04617	0.6
161.05984	11.2
161.07057	0.8
161.09619	6.1
161.13266	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02390	0.5
53.03949	2.7
55.01875	3.9
55.05500	1.5
56.96558	1.1
65.03951	0.6
66.04718	1.3
67.05518	0.8
69.03423	0.6
69.07079	0.8
69.83801	2.1
77.03922	1.0
79.05497	17.8
80.05898	0.4
81.03424	0.7
81.07065	1.1
88.11746	0.4
89.03930	0.8
90.04700	3.8
91.05485	7.3
92.02633	0.9
93.07062	1.2
94.04170	0.5
95.04965	2.9
97.08475	0.5
102.04683	0.6
103.05477	21.7
105.04527	1.7
105.07037	100.0
106.07391	1.6
107.04982	1.1
107.08553	0.4
115.05462	26.3
115.09523	1.2
116.05753	0.6
117.07027	1.8
118.04170	18.0
119.01923	0.7
119.08588	10.9
120.08113	1.2
121.06544	0.4
121.10187	0.4
128.06238	0.8
129.11053	0.6
131.04930	4.4
131.08543	1.0
132.05713	1.2
133.06502	44.4
133.10127	8.8
134.05959	0.4
134.06841	0.9
143.05025	0.7
143.06047	4.9
143.08524	1.8
146.03653	1.8
146.07285	1.6
161.05984	11.5
161.07047	0.7
161.09619	8.8
161.13263	7.2
162.05495	0.7
180.79770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33557	0.1
56.21447	0.2
56.96569	2.3
58.96165	0.5
58.99862	0.1
60.00620	0.1
60.95844	0.4
62.15973	0.1
69.28345	1.6
70.34063	0.2
71.95270	0.4
73.94851	0.2
82.99844	3.2
83.99895	0.2
98.97589	6.9
99.97911	0.3
100.97186	2.7
100.97998	1.6
101.00885	36.3
101.95030	1.8
101.97190	1.1
102.00955	1.7
102.96180	0.2
102.96870	4.7
103.00594	0.2
105.07016	0.3
107.08649	0.2
111.04445	0.2
116.98627	3.0
117.98955	0.2
118.98215	1.4
119.01926	100.0
119.96053	0.5
119.98244	0.6
120.02008	4.1
120.97906	2.2
121.01617	0.3
121.02374	0.3
124.02458	0.4
133.03465	0.4
134.99673	0.8
136.99255	0.4
137.02962	22.9
138.03067	0.7
138.98917	0.5
140.00209	0.2
142.03503	1.6
143.01895	0.3
143.03642	1.3
145.48865	0.4
153.00713	0.2
160.04601	0.2
161.02968	4.3
161.04381	0.2
161.09676	0.2
179.02507	0.2
179.04015	4.5
180.04088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0593
Annotation	1,8-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03936	1.1
55.01857	0.4
65.03935	0.2
66.04717	0.6
68.74496	0.2
70.87474	0.4
72.16837	0.2
77.03923	0.3
78.43345	0.2
79.05498	4.5
81.03390	0.3
81.07049	0.7
89.03925	0.6
90.04713	2.3
91.05476	1.6
92.02596	0.3
93.07047	0.4
95.04973	0.9
103.05474	4.6
105.04490	0.4
105.07039	6.1
107.89214	0.2
115.05472	0.7
117.07007	0.3
118.04167	15.5
119.04414	0.3
119.08592	2.0
131.04924	2.3
132.05724	0.3
133.05478	0.6
133.06496	12.5
133.10120	0.9
143.08546	0.4
146.03636	15.5
147.04164	0.3
161.05989	100.0
161.13252	1.5
162.06303	2.5
173.01518	0.3
183.99124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01854	0.8
55.05516	30.7
56.05038	3.2
56.96572	27.4
57.03438	5.3
57.43703	0.7
58.06597	2.5
59.05001	1.6
61.02929	1.1
67.05499	0.9
68.00308	1.0
68.47343	0.7
69.03430	2.9
69.68911	0.6
70.06586	2.7
70.27176	1.5
70.27567	1.4
70.98130	6.9
71.04991	1.4
71.95261	1.3
72.04491	1.6
72.08158	1.1
73.02916	2.2
73.06552	1.6
73.63698	0.6
74.26718	0.6
80.00297	0.9
81.03426	1.7
82.06586	3.6
83.00822	0.8
83.04987	37.6
84.01553	0.9
84.08144	11.2
84.96033	2.1
85.02923	5.5
85.06559	3.5
85.08931	18.2
86.06076	0.7
87.04474	1.0
87.08108	10.6
88.99159	1.6
89.00787	3.3
91.00520	0.8
95.02631	1.2
95.74467	0.9
96.08144	1.2
97.02885	2.5
98.01288	1.5
98.97590	25.8
99.04465	0.7
99.97915	4.1
100.07633	4.0
100.11304	1.6
100.97181	1.7
100.97987	1.1
101.00848	1.5
101.06033	1.8
102.09181	1.3
103.02373	0.8
104.01251	1.5
104.03108	1.3
109.00517	0.8
110.01305	1.1
110.09677	4.0
110.97573	2.3
112.99148	1.3
113.01778	0.9
113.08395	3.9
114.09193	4.0
115.00703	2.6
115.07571	9.8
116.10750	12.3
116.98636	9.2
117.98959	1.8
118.01049	1.7
119.01891	4.5
124.95518	1.0
128.10728	81.0
128.98654	1.1
129.11053	1.5
131.00209	1.2
133.01758	4.2
134.99643	1.6
137.02960	0.8
143.00098	1.0
144.98096	0.7
145.58556	0.8
147.47736	0.7
148.02045	0.7
148.03894	2.9
149.01213	1.2
151.02748	0.9
158.99640	1.4
160.09692	3.1
160.13344	100.0
161.13649	1.6
177.04266	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0971
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
53.03946	1.5
55.01873	1.0
55.05518	21.4
56.05037	1.7
56.96569	19.0
57.03437	5.2
58.06596	4.7
59.04997	2.0
60.08167	7.1
60.95848	1.4
61.02929	1.3
64.85732	0.6
67.05515	0.6
69.03439	2.6
69.07084	2.0
69.63185	3.8
70.06599	8.5
70.98122	2.3
71.04988	1.2
72.04514	0.8
72.08153	1.3
73.02919	2.0
73.06557	3.4
75.01073	1.0
79.05528	0.7
80.90325	0.6
81.03439	1.6
81.05782	0.9
82.06586	23.5
83.00782	1.7
83.04988	23.2
83.07372	2.5
84.08153	6.4
84.96064	0.9
85.02906	3.6
85.06559	1.5
85.08936	10.7
86.06063	1.0
86.09710	1.1
87.04470	1.5
87.08108	5.8
88.03991	7.6
88.07634	1.9
92.01315	0.9
96.08141	31.7
97.02341	0.7
97.02904	2.5
97.08961	0.9
98.01280	1.2
98.09698	11.2
98.21474	1.0
98.97590	14.6
99.04477	1.1
99.97910	1.8
100.07621	3.4
100.11250	0.8
100.97197	0.7
100.97999	0.6
101.00850	1.1
101.06030	19.2
102.09201	0.8
102.96868	0.9
104.03094	0.8
104.07116	1.0
109.02893	0.9
110.01257	0.8
110.03104	1.3
110.09692	1.7
110.97576	2.0
112.00945	1.0
112.02840	0.7
112.99136	1.1
113.08404	2.2
114.05544	1.0
114.09175	100.0
115.00736	1.0
115.07575	3.7
115.09532	1.7
116.04733	5.7
116.10728	4.5
116.98623	5.9
117.01866	0.7
117.98993	0.8
118.70908	0.6
118.99107	0.6
119.01834	3.2
124.07598	0.6
128.02277	1.1
128.07094	1.0
128.10728	43.4
128.98590	1.3
129.11072	0.7
133.01772	3.8
134.99698	1.0
135.50072	0.6
139.03429	1.0
142.08653	13.9
142.12331	0.9
144.97972	0.7
148.03864	4.4
151.02853	1.4
158.99644	1.4
160.09706	89.2
160.13338	56.5
161.10056	1.9
161.13727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.54935	0.5
53.03948	0.7
56.96558	1.5
61.11139	0.5
67.05510	2.7
79.05495	0.8
80.75523	0.4
91.05474	5.9
93.07056	0.5
98.21582	0.9
98.97591	0.6
105.07033	26.5
114.09164	1.1
115.05437	2.1
116.06219	1.6
117.07023	13.6
119.08586	9.6
126.16062	0.4
128.06238	1.0
129.06996	12.9
129.07907	0.9
130.07791	6.5
131.08572	39.2
132.08896	0.9
134.00546	0.4
141.01837	0.7
142.07774	1.7
143.08563	1.1
144.09344	23.9
145.09692	0.7
147.07545	0.5
155.89708	0.4
157.10120	5.9
157.11261	0.6
159.11693	100.0
160.12059	3.5
162.57433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
53.03959	0.5
55.05513	9.8
56.05034	1.1
56.96563	2.2
57.03435	3.6
57.04565	0.6
57.05816	0.4
58.06598	3.6
59.04996	0.8
60.08167	11.5
61.49994	0.4
67.51932	0.4
69.03429	0.8
69.07069	0.9
69.38488	1.7
69.38911	1.5
70.06593	5.7
71.04991	0.5
72.08144	0.4
73.06568	3.2
74.21413	0.4
76.57114	0.4
79.05500	0.4
81.03431	0.4
81.05798	0.9
82.06582	13.7
82.07069	0.7
83.04987	8.3
83.07371	3.3
84.08148	2.6
85.02905	0.4
85.08926	3.4
86.06039	0.5
86.09718	0.7
87.04470	1.1
87.08099	1.6
88.03993	6.8
88.07642	1.6
96.08134	23.6
97.02879	0.4
97.08932	0.6
98.09698	18.6
98.21485	0.7
98.97585	2.7
99.97903	0.4
100.07620	1.8
101.06020	27.6
102.96909	0.4
103.74387	0.5
110.09702	0.5
110.51445	0.5
114.09169	72.7
115.07569	1.4
115.09534	2.1
116.03954	0.9
116.04740	12.4
116.10728	1.6
116.98629	0.7
119.01887	1.0
124.11236	1.5
128.07034	0.7
128.10718	11.2
139.06003	0.4
142.08647	10.5
142.12283	2.1
151.58127	0.4
160.03697	1.4
160.09697	100.0
160.13318	24.0
161.10025	2.1
161.13652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05497	0.9
56.96574	5.6
67.05505	2.7
69.07059	1.0
69.96144	1.8
69.96563	0.8
76.92863	1.4
76.93344	1.2
79.05499	1.5
81.07043	1.1
91.05490	6.9
93.07065	0.6
95.08566	0.5
96.08141	1.5
98.97597	0.7
103.05434	0.6
105.07041	25.6
114.09184	4.2
115.05431	3.3
116.06248	1.5
116.98650	0.7
117.07034	17.5
117.95985	1.5
119.08597	8.1
128.06223	1.3
128.10707	1.0
129.07016	14.8
130.07825	7.4
131.08583	37.0
132.08919	0.7
135.07439	0.6
139.07756	1.0
141.01848	2.0
141.06963	0.7
142.07788	2.2
143.08496	1.1
144.09358	24.9
145.09732	0.7
148.08276	1.3
156.08159	0.5
157.10127	5.6
159.08093	1.9
159.11707	100.0
160.09705	2.0
160.12033	2.2
160.13359	1.5
166.04112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.25222	0.3
54.00610	0.4
55.01874	0.4
55.05492	0.5
55.87735	0.4
56.96549	1.4
59.83842	0.5
65.03933	0.5
67.05501	3.0
70.05922	1.9
70.06585	1.0
76.92857	3.4
76.93321	0.8
77.55187	0.4
79.05479	1.0
83.04982	1.1
85.02945	0.5
88.04005	0.6
91.05478	6.0
95.91560	0.4
96.08132	3.3
98.97575	0.9
103.05482	0.7
105.07034	26.8
106.07350	0.4
113.02354	0.9
114.09174	7.2
115.05441	2.2
116.06241	1.4
116.98676	0.6
117.07022	14.7
117.95974	1.1
119.08586	8.1
128.06212	1.0
128.10701	2.1
129.07008	13.0
130.07799	7.2
131.08575	36.5
132.08917	0.8
134.99701	0.5
141.01852	2.3
142.07719	2.0
142.08667	1.3
143.08557	1.5
144.09348	23.9
145.09735	0.5
157.10118	5.0
159.08067	1.5
159.11699	100.0
160.09770	3.0
160.12018	2.6
160.13354	1.8
170.72105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12595	0.4
53.03945	0.5
55.05498	1.3
56.96568	3.0
58.97549	0.5
62.00811	0.4
67.05505	3.0
69.03417	0.5
70.06590	0.8
76.92856	4.3
76.93359	1.9
79.05469	0.9
82.06499	0.4
83.05017	1.0
85.08945	0.5
91.05486	6.8
94.94443	0.5
95.04964	0.6
96.08149	2.2
98.97575	1.7
103.05444	1.0
105.07037	25.4
109.98793	0.4
110.03164	0.5
113.02353	1.2
114.05498	0.5
114.09175	7.7
115.05470	2.5
116.06217	1.2
116.98622	1.0
117.06206	0.9
117.07028	16.7
117.95978	1.8
119.08585	9.4
128.06261	1.3
128.10725	2.1
129.07007	12.6
130.07791	7.7
131.08575	37.9
132.08051	0.7
132.08940	0.7
134.99675	0.5
141.01846	3.2
142.07753	1.5
142.08705	0.9
143.08554	1.5
144.09349	22.4
145.09631	0.9
157.10141	5.1
159.08101	3.8
159.11696	100.0
159.15735	1.9
160.09718	3.3
160.12001	3.2
160.13329	2.5
177.23636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98654	0.4
56.96568	23.6
57.03446	0.3
57.07084	0.2
57.93562	0.2
57.97356	0.2
58.95433	0.5
59.93116	0.8
64.84178	0.1
67.05495	0.2
69.03441	0.3
70.04129	0.2
70.04417	0.8
70.06615	0.1
70.98154	0.2
71.01325	0.2
71.04989	0.3
71.95266	6.4
73.02932	0.2
73.95687	0.4
74.97615	0.2
75.94608	0.2
76.92879	0.7
76.93379	2.1
77.94160	0.2
81.03425	0.5
84.08157	0.2
84.96034	0.2
85.02911	0.3
91.05491	0.3
93.32133	0.1
94.94431	0.5
95.95159	0.2
97.96811	0.3
98.97588	100.0
99.04476	0.2
99.97929	5.7
100.02509	0.3
100.97211	0.3
101.00906	0.5
101.50937	0.2
105.07053	0.2
110.97561	0.2
113.02349	0.8
113.05988	0.2
114.95402	0.4
116.98626	74.7
117.07097	0.2
117.96000	2.2
117.97610	0.3
117.98983	5.0
118.03529	0.2
118.96775	1.7
118.98240	0.2
118.99059	0.3
119.01920	2.0
123.95903	0.9
126.52750	0.2
131.00160	0.5
131.04915	0.3
131.08574	0.4
132.96451	2.5
133.49631	0.2
133.98100	0.2
133.99100	0.2
134.99661	37.5
135.95630	0.2
135.97061	0.9
136.00058	3.7
136.04582	0.3
136.48410	0.4
136.95462	0.2
137.00119	0.2
137.02963	0.3
140.00185	2.0
141.00687	0.3
141.01830	2.7
141.96983	2.6
142.03525	1.5
144.09419	0.2
144.47234	0.5
145.48926	0.6
145.58635	0.4
149.01241	0.3
150.97539	0.3
152.96875	0.2
153.00719	4.4
153.47826	0.4
153.96805	0.3
154.01154	0.7
154.59135	0.9
154.96419	0.7
158.01271	1.5
158.15349	0.2
158.99651	0.3
159.01689	0.2
159.10172	0.3
159.11722	0.5
159.15761	0.2
160.04564	0.6
175.02727	0.2
176.02383	0.2
177.00742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42806	0.2
54.98656	0.3
56.96570	10.8
57.03437	0.3
70.79511	0.4
71.67828	0.2
71.95275	2.9
80.50390	0.2
81.03427	0.2
83.71221	0.2
83.97603	0.3
84.24139	0.2
85.02924	0.2
90.83400	0.2
94.14561	0.2
96.01572	0.3
97.96816	0.2
97.99111	0.3
98.97590	100.0
99.97923	0.6
109.02866	0.3
116.98628	43.9
117.98963	0.2
126.02660	0.2
128.45415	0.2
131.00125	0.2
132.96388	0.2
134.99670	10.4
140.00195	1.4
141.96991	0.3
153.00713	0.5
158.01259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
53.91064	0.4
55.01876	13.4
55.02148	0.8
55.05504	1.2
56.05040	1.0
56.96569	100.0
57.03439	8.5
58.06586	0.4
59.05006	0.8
59.06131	0.9
60.25300	0.4
60.95869	0.7
61.02933	7.2
64.26860	0.4
65.03937	0.4
66.00531	1.2
67.01884	0.7
67.05505	1.2
67.51067	3.3
68.00286	0.5
68.02650	1.7
68.05046	0.5
68.99776	0.5
69.03434	15.0
69.04507	0.4
69.77561	1.7
70.03769	0.5
70.06594	4.2
70.98129	6.4
71.01364	0.8
71.04991	2.8
71.95269	5.8
72.04515	2.4
72.08158	0.5
72.96043	2.1
73.02923	3.0
74.00269	3.7
74.03720	0.5
74.93809	0.4
74.97613	1.5
75.01058	4.7
75.04491	0.7
76.51602	1.5
77.00801	0.6
77.51328	0.7
79.01870	1.1
80.00267	1.4
80.05007	0.4
80.51867	0.4
81.01045	1.2
81.03420	6.3
83.00794	13.0
83.01341	1.3
83.04980	2.1
83.06116	1.7
84.01579	1.2
84.06432	0.5
84.08144	1.6
84.96036	3.4
84.99261	0.9
85.02909	8.5
85.07669	1.5
85.08935	1.3
85.51060	1.2
86.03686	1.2
86.06071	1.2
86.51835	4.3
87.01035	0.5
87.04487	1.3
87.50806	1.7
88.99160	1.7
89.00787	4.5
89.06039	0.5
90.01563	1.4
92.01302	6.9
93.52615	1.0
93.99982	0.6
94.01746	0.4
94.51572	5.4
95.01332	3.1
95.04998	0.7
95.52353	1.8
96.01560	1.8
96.06422	0.5
96.51366	0.5
97.00520	1.4
97.02359	0.6
97.02902	2.1
97.96812	6.4
97.99187	9.7
98.01300	1.9
98.06115	0.5
98.09691	1.3
98.21404	0.6
98.97589	53.1
99.04475	2.1
99.10031	0.9
100.05249	1.0
100.51573	1.0
101.00816	2.9
101.02493	0.6
101.06023	0.5
101.52357	0.9
102.01582	0.5
102.02242	0.7
102.51310	0.6
103.00534	2.9
103.02357	1.0
103.08723	1.8
103.52115	3.3
104.01306	1.0
104.02285	0.5
105.02094	0.9
106.01038	1.2
108.01550	1.5
108.08169	0.4
109.02880	4.0
109.52067	0.6
110.01273	3.7
110.07181	1.8
110.97576	6.2
111.00218	2.1
111.04466	4.3
111.05595	3.6
111.06860	0.8
111.07507	5.9
112.07614	3.2
112.99143	1.0
113.02380	7.0
113.07132	2.2
114.02737	0.5
114.05540	0.8
115.00665	0.5
115.01575	0.5
115.02423	0.7
115.08728	0.7
115.97854	3.5
116.00214	3.5
116.98627	24.6
117.02062	4.2
119.01850	4.5
120.00745	0.9
120.01978	2.5
121.01671	1.1
121.52084	1.2
124.95490	4.9
124.99130	0.6
124.99985	1.1
125.02448	0.6
125.10758	4.0
126.02578	4.5
126.09243	0.4
126.97055	0.8
127.03883	0.7
128.02330	0.7
128.98621	6.2
130.52592	0.8
131.00171	2.9
133.01691	1.0
133.03493	2.1
133.98862	0.5
134.00488	3.9
134.02310	1.2
134.03549	0.5
134.99660	9.1
135.03090	0.7
139.03918	1.3
139.07651	0.5
139.08693	1.5
140.00209	1.1
140.07051	0.5
140.98590	0.7
142.96524	5.6
143.00139	1.7
143.01094	0.6
143.03604	1.6
144.98099	1.6
145.51250	0.7
146.99652	3.0
149.01213	1.4
150.99060	0.5
153.00629	0.5
157.01395	1.7
157.03705	0.4
157.04961	1.7
157.08040	0.7
157.09668	6.0
157.13324	3.1
158.01279	0.5
158.08119	0.6
158.09419	0.9
158.11760	4.4
158.15349	0.5
158.99588	0.9
160.02171	0.7
160.97591	5.0
161.01237	0.8
161.04716	0.4
162.99158	1.3
168.98074	0.7
170.96031	0.5
173.01180	0.6
174.99179	1.8
175.02754	0.6
175.04480	0.6
177.00664	0.6
178.98630	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	156.1021
Annotation	Scopoline
Peak:m/z	Relative Intensity
53.03941	1.0
55.01863	2.6
55.05511	10.0
55.93526	1.5
56.05036	2.0
56.96561	1.6
57.03451	6.6
57.07080	1.2
59.04997	1.4
65.03928	2.3
67.05513	11.7
68.05019	3.3
68.05871	1.0
69.03423	3.6
69.06771	1.2
69.07078	13.7
70.06593	3.9
70.95876	30.9
70.96257	1.4
71.04986	2.5
72.04523	1.6
72.08167	2.7
72.93388	1.4
72.93793	18.1
74.93829	1.1
79.05499	5.8
80.05013	1.5
81.07051	5.3
82.02936	1.5
82.06589	12.9
82.07366	1.5
83.04978	6.9
83.08614	2.6
84.04505	2.3
84.08150	1.7
85.06541	2.5
85.21528	0.8
86.02330	0.9
86.06081	1.2
86.09713	11.9
88.96907	4.0
90.94836	4.3
91.05481	3.2
93.07057	12.5
94.06566	1.6
95.04980	4.3
95.07351	4.0
95.08615	12.7
96.04501	22.7
96.05296	2.8
96.08147	16.2
97.02907	2.1
97.05286	22.0
97.06536	17.7
98.06052	2.8
98.09698	47.1
99.08055	1.1
100.07620	8.4
102.05556	4.0
106.97944	1.1
108.08153	4.5
109.06530	6.3
110.02415	1.9
110.06050	50.1
110.07157	5.3
110.09689	27.5
110.10394	1.0
111.04435	3.2
111.08087	33.3
111.98474	9.2
112.07631	1.1
113.96401	2.8
114.05518	1.8
115.96390	1.1
120.08096	6.0
121.06516	5.1
123.06812	1.7
124.04778	1.2
124.07634	1.7
125.08388	10.6
126.09162	54.3
127.07532	1.1
128.06250	1.2
128.07108	3.9
128.10692	2.5
129.07054	1.5
129.99541	2.4
130.06535	1.0
132.95847	38.2
133.59146	0.9
138.05573	5.2
138.09145	100.0
139.07520	7.4
139.09473	1.6
139.11180	1.2
141.05070	1.1
141.06944	2.2
142.02615	1.9
142.07777	3.0
143.06116	1.3
150.96898	43.2
155.97403	2.4
156.06581	8.2
156.10222	81.5
156.13805	8.5
157.05052	5.4
157.06300	1.2
157.10207	1.9
168.97955	1.4
173.98544	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	154.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93827	3.1
55.05513	0.4
55.14663	0.4
56.96569	11.0
65.21112	0.4
67.05529	0.4
69.03437	0.4
69.96181	34.0
70.95879	2.3
70.98086	0.5
71.55359	0.6
71.94104	13.4
71.94502	0.7
71.95274	0.6
72.93793	4.4
81.03429	0.5
83.05006	0.7
87.97209	1.2
88.96893	0.4
89.95145	0.9
90.94843	0.6
98.97598	1.1
101.00868	0.8
109.02889	0.5
109.10206	0.4
110.96819	0.6
110.98816	1.4
111.98475	0.9
113.00926	0.7
113.95110	6.7
113.96405	1.6
113.98655	1.0
114.00961	0.4
114.04041	1.3
115.02396	0.4
119.01937	1.4
119.97317	3.2
120.97262	0.4
121.01596	0.7
127.03949	1.2
128.49532	0.4
128.97853	4.9
128.99568	0.8
129.49358	0.6
131.01906	3.0
131.48099	0.4
131.96156	100.0
132.01988	0.6
132.05077	7.5
132.95789	2.9
133.03470	0.7
135.98541	0.4
137.98398	3.6
138.00076	0.7
138.49867	0.5
140.48660	0.5
140.50293	0.5
141.00175	0.6
149.50885	0.6
149.97209	84.4
150.06155	2.5
150.96765	2.8
154.97775	3.2
155.00064	0.5
155.01968	0.7
155.03581	0.4
155.07039	0.6
167.98265	4.7
172.98837	3.3
173.01234	0.8
173.02899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	p-trans-Menth-2-en-1-ol
Peak:m/z	Relative Intensity
53.03942	1.3
55.01873	1.4
55.05512	6.2
56.96568	0.5
57.03447	2.0
57.07080	100.0
58.07411	1.3
59.05003	1.2
63.11068	0.4
65.03946	1.3
67.05509	20.7
69.03436	2.3
69.07070	8.0
69.58029	2.6
70.95894	2.2
71.05001	14.1
71.08643	4.6
72.08182	0.5
72.93797	14.1
79.05495	3.2
81.03427	0.9
81.07063	34.4
82.06601	0.8
82.07389	0.8
83.04982	2.4
83.08603	0.8
84.08181	0.5
85.02910	0.7
85.06549	18.4
90.94850	2.8
91.05506	1.9
93.07034	2.3
95.04978	8.2
95.08614	32.5
96.04444	0.6
97.06568	1.5
97.10197	0.8
98.09710	5.1
98.20737	0.9
98.98476	0.8
99.04482	1.9
99.08093	4.1
99.08553	0.4
107.08617	2.0
108.03373	0.4
109.02869	1.0
109.06525	3.5
109.10171	17.7
109.10928	1.0
110.06078	0.8
111.04453	2.2
111.08095	1.1
111.98461	0.5
112.01606	0.9
113.06035	1.9
113.09693	0.6
113.96408	7.5
117.14354	0.5
119.08599	0.8
123.04468	2.1
127.03912	2.8
127.07587	1.2
127.09515	0.6
131.96204	1.6
131.97498	1.9
132.95831	2.7
137.06046	1.1
137.09616	3.6
137.13293	1.9
138.05502	0.6
140.04741	0.9
140.06694	0.5
141.06998	2.6
149.97282	1.8
150.96872	3.1
153.07024	0.6
155.03461	1.8
155.07150	4.0
155.08997	9.9
155.10597	2.8
155.12726	0.6
155.12971	0.9
155.14314	10.1
155.15520	0.5
156.06578	0.6
156.09364	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	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.51354	0.2
55.01867	0.6
55.05259	0.4
55.05513	6.0
56.05029	0.7
56.05835	0.3
56.96557	1.1
57.07030	0.3
65.03937	1.0
67.05502	2.8
68.05038	0.5
68.05845	1.2
68.96329	0.6
69.03424	1.0
69.07066	0.7
69.96184	0.3
70.06604	1.3
70.07397	0.4
70.94262	0.4
71.04990	0.5
71.15672	0.4
71.94095	1.1
71.95250	0.4
72.08140	0.3
72.93797	2.6
79.05494	3.7
80.05035	0.3
80.05824	1.1
81.03420	0.5
81.07061	9.1
82.06601	1.8
82.07391	0.8
83.04980	1.1
83.07348	0.6
83.08626	1.3
84.04503	0.7
84.05307	0.5
84.08143	1.8
85.06537	0.3
90.94802	0.8
91.05466	1.4
92.05814	0.4
93.03341	0.3
93.05791	1.1
93.07056	0.6
94.03768	0.3
94.06567	0.8
94.07399	0.8
95.01323	0.3
95.04977	4.4
95.08612	0.7
96.04483	0.9
96.05286	1.2
96.08134	3.5
97.05277	2.9
97.06536	0.7
98.06067	3.1
98.06712	0.4
98.09702	2.4
99.04469	0.5
100.03993	0.5
102.78341	0.2
105.04520	0.3
107.08598	0.3
108.04460	0.4
108.05259	0.3
108.08115	5.2
108.08914	2.3
109.02878	0.4
109.06532	7.4
109.10152	0.7
110.06059	4.7
110.06785	0.5
110.10532	0.3
111.03210	0.4
111.04430	0.6
111.06837	4.2
111.08055	0.3
112.01584	0.3
112.04776	0.7
112.07613	0.6
112.08390	0.4
112.96715	0.7
112.99178	0.3
113.05978	0.4
113.96401	1.9
120.83670	0.2
123.04445	1.2
123.06815	0.3
124.07578	0.9
125.08422	1.2
126.05508	1.8
126.06303	0.3
126.09163	4.6
127.03909	0.8
130.96318	0.8
131.00150	0.5
131.96149	0.5
131.97455	1.0
136.03943	0.7
136.07579	4.3
136.08505	0.6
137.02362	0.5
137.05983	0.9
138.05504	0.9
139.03844	0.3
139.06290	6.1
140.04709	0.6
148.97328	1.2
149.97203	0.8
152.07065	0.4
154.05133	2.5
154.08632	100.0
154.12160	5.3
155.03419	0.5
155.07011	1.1
155.09007	2.5
155.10165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22820	0.2
53.03933	0.7
54.77744	0.3
55.01865	0.3
55.05518	4.8
56.05032	0.5
56.05808	0.2
57.03430	0.3
57.07079	1.2
67.05495	1.0
68.05015	0.4
69.03424	0.5
69.25192	2.2
70.06582	1.0
71.05006	0.3
71.94094	0.5
71.95267	0.3
72.93795	1.6
79.05500	2.3
81.07059	7.5
82.06581	1.4
82.07372	0.3
83.04986	0.7
83.07362	0.6
83.08620	1.3
84.05305	0.6
84.08140	0.7
85.06561	0.4
90.94843	0.3
91.05479	0.7
91.98528	0.2
93.05767	0.7
93.07028	0.3
94.07384	0.3
95.04988	2.0
95.08607	0.7
96.04508	0.6
96.05296	1.8
96.08141	2.3
97.05275	2.7
97.06551	0.4
98.06059	2.7
98.09707	1.8
99.04412	0.3
108.08132	3.2
108.08858	0.5
109.02953	0.2
109.06523	5.5
109.10162	0.7
110.06060	3.8
110.06784	0.5
111.06843	3.6
112.96683	0.3
113.96404	0.8
120.14461	0.2
124.07611	0.5
125.08398	1.0
126.05508	0.6
126.09162	3.3
136.07585	1.3
138.05505	0.7
139.06285	5.3
152.07130	0.6
154.08635	100.0
155.07065	0.4
155.08998	2.2
163.85712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0625
Annotation	N-Dimethyl-2-aminoethylphosphonate
Peak:m/z	Relative Intensity
50.57442	0.4
53.03942	0.9
55.01873	1.5
55.05509	2.1
56.96570	1.3
57.07060	0.4
65.03944	39.5
66.04282	0.6
67.05511	1.1
68.05030	0.6
69.03422	0.6
69.31753	2.4
69.32174	1.4
70.06606	0.6
71.01360	1.6
71.94115	1.3
71.95264	1.0
72.93798	3.0
81.03425	4.1
81.07037	0.5
83.04990	3.0
85.84270	0.4
89.10220	0.5
90.94782	0.5
93.03410	33.8
94.04212	0.5
94.06602	0.4
94.07361	0.6
95.04939	0.7
95.08582	0.4
96.02104	5.3
96.05275	0.4
96.08119	3.2
97.06516	0.6
98.06046	0.5
107.01326	1.8
108.08117	0.4
109.02887	6.2
111.04449	29.0
112.04758	0.7
112.07580	0.7
112.96731	0.4
113.96394	2.2
121.04013	0.9
124.05206	5.1
125.06003	1.4
126.05519	0.7
127.03938	0.8
135.04529	0.4
136.07599	1.3
139.03906	100.0
140.04240	1.3
154.06252	67.3
154.08659	1.5
154.12254	5.1
155.06619	1.0
164.83189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.05
Annotation	5-Aminosalicylic Acid
Peak:m/z	Relative Intensity
53.03943	0.6
55.01867	0.4
55.05501	0.7
56.11946	0.2
56.96568	1.6
65.03948	2.2
67.05513	0.8
68.05035	0.4
68.96341	1.1
69.03426	0.7
69.07058	0.2
69.88702	0.4
69.89092	0.4
69.96165	0.9
70.06593	0.5
70.94257	1.0
71.94104	1.6
71.95258	0.7
72.93792	2.6
79.05484	0.7
80.05013	0.7
80.05811	0.3
81.03405	0.6
81.06665	0.2
81.07063	1.5
82.06568	0.8
83.04978	0.6
83.08623	0.3
84.04487	0.2
84.08144	0.7
86.97390	0.2
87.04455	0.3
90.94827	0.6
91.05482	0.4
92.05012	5.0
92.05611	0.3
93.02160	1.5
93.05814	0.3
93.07050	0.2
94.03743	0.2
94.06557	0.7
94.07337	0.2
95.03721	0.3
95.04975	1.2
95.07388	0.2
95.08590	0.3
96.04506	0.3
96.05299	0.2
96.08136	3.7
96.08761	0.3
97.06554	0.3
98.06060	0.4
98.09689	0.3
98.21395	0.3
102.03392	0.2
102.13619	0.2
108.04475	0.9
108.08139	1.8
108.08903	0.3
109.02879	0.6
109.06497	1.4
109.10151	0.2
109.42437	0.2
109.98944	0.5
110.06046	1.8
110.06767	0.3
111.03207	0.6
111.04436	0.6
111.06820	0.8
111.08114	0.2
112.03957	0.8
112.04749	0.5
112.07614	0.8
112.11241	0.5
112.96719	0.5
112.99127	0.6
113.05981	0.2
113.96413	1.5
119.97281	0.3
122.02341	0.3
123.04456	0.4
123.06835	1.1
124.07577	1.1
125.02393	0.3
125.05983	0.2
126.05520	2.4
126.06339	0.4
126.09148	1.4
127.03909	1.8
127.99991	0.2
128.97804	0.3
130.96318	2.0
130.97781	0.3
131.00185	0.4
131.01926	0.3
131.96156	2.0
131.97418	0.8
133.59734	0.2
136.03949	6.5
136.07593	3.5
137.02322	0.6
137.05986	0.6
139.06325	0.2
140.03447	0.5
140.04630	0.4
148.97369	2.3
149.01228	0.6
149.97208	2.3
154.04999	100.0
154.08566	8.0
154.12238	4.6
154.90788	0.3
155.03409	2.0
155.05412	1.3
155.07008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00315	1.2
53.03935	5.2
55.01863	3.8
55.05515	28.0
56.96559	4.2
57.03436	3.4
57.07069	2.1
59.05013	8.8
59.78650	1.3
62.45680	1.4
65.03940	15.2
67.01877	8.5
67.05508	16.8
68.99784	5.1
69.03434	9.4
69.06714	2.0
69.07070	29.3
69.41904	1.3
70.94255	2.6
71.04998	31.8
71.58699	2.5
73.06561	20.5
76.34282	1.3
79.05053	3.0
79.05495	40.6
81.03421	2.8
81.07062	100.0
83.04617	1.3
83.04997	14.8
83.08612	4.0
91.05489	11.4
93.03429	9.9
93.07049	53.6
95.04974	38.8
95.08612	21.2
96.08136	3.6
97.02885	3.4
97.06527	19.4
105.07032	5.4
107.04958	4.9
107.08600	50.9
109.06525	11.6
109.10152	20.4
110.03644	3.8
111.04458	13.6
111.08092	17.2
123.11687	2.3
125.05987	10.1
125.09665	3.8
135.04407	2.5
135.08058	5.0
135.11681	25.5
138.03120	4.3
153.01854	19.7
153.05438	11.8
153.09109	7.7
153.12753	29.7
154.12256	3.2
171.02962	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00304	2.4
53.03942	5.8
54.35799	1.1
55.01862	4.2
55.05513	24.5
56.96569	12.9
57.03436	4.4
57.07074	3.3
59.05002	4.3
65.03945	21.3
66.04269	1.5
66.52583	1.2
67.01859	1.4
67.05508	23.4
68.99786	1.8
69.03440	6.9
69.07074	23.0
70.94247	2.9
71.04992	28.4
71.58321	1.8
71.94111	1.9
73.06551	16.0
77.03945	2.4
79.05052	2.2
79.05500	38.4
81.03416	3.0
81.07061	82.9
82.04174	2.4
83.04983	19.0
83.08610	4.0
85.06538	2.5
87.08443	1.3
91.05485	19.5
93.03411	15.8
93.07053	62.2
94.38273	1.3
95.04975	100.0
95.08614	27.4
96.05267	1.6
96.08118	2.6
97.02881	2.6
97.06538	21.0
102.63557	1.3
105.04459	1.6
105.07041	6.3
107.04950	4.5
107.08601	67.7
108.08135	1.9
108.08865	1.3
109.06522	11.7
109.10158	31.7
110.03645	6.5
111.04448	22.6
111.08092	20.3
111.96905	1.9
112.96714	1.5
117.06985	2.8
119.06104	1.8
119.08588	3.4
121.04084	2.0
125.02330	1.9
125.06007	18.2
125.09643	2.8
135.04442	3.4
135.08095	7.8
135.11697	34.1
136.07547	1.9
136.11989	1.5
138.03133	23.3
139.03970	1.3
142.06458	3.3
151.06982	2.0
153.01801	6.3
153.05481	25.5
153.06583	1.1
153.07388	2.5
153.09125	10.2
153.12750	27.6
154.04967	2.4
154.08624	3.8
154.12256	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	153.1275
Annotation	Perillyl alcohol
Peak:m/z	Relative Intensity
51.95715	0.9
53.03949	4.8
55.01867	3.3
55.05261	1.3
55.05511	18.9
56.96563	6.0
57.03440	6.1
57.07070	2.8
59.05018	1.2
63.22310	0.8
65.03946	17.0
67.05508	42.9
68.99812	1.4
69.03429	8.2
69.07072	56.0
70.94258	5.2
70.95845	2.3
71.04992	3.7
71.56093	1.2
71.94105	7.6
71.95264	10.5
73.06560	1.3
77.03935	1.4
79.05497	43.9
81.03418	3.2
81.07060	46.6
82.04205	6.4
82.06601	1.0
82.07381	1.1
83.04991	11.7
83.08633	7.8
85.02891	1.4
85.06568	2.3
88.95313	1.7
91.05479	13.9
93.03402	8.2
93.07049	55.4
95.04967	9.9
95.08612	21.5
96.08137	4.2
97.02896	3.7
97.06541	27.1
98.12664	0.9
99.04453	0.9
105.07043	5.8
107.04972	7.2
107.08603	66.9
108.08141	1.3
109.06532	6.4
109.10162	38.9
110.03669	15.9
111.04469	19.3
111.08083	13.0
111.96844	1.7
112.04817	1.3
112.96725	3.3
112.97900	1.1
115.05466	1.5
117.07029	2.8
123.04430	1.9
125.02380	1.5
125.06000	14.6
125.09620	4.3
126.05524	1.9
126.06366	3.7
129.97906	2.3
130.97780	1.2
135.04407	3.4
135.05508	1.2
135.08081	7.0
135.11699	100.0
136.03960	1.2
136.07565	1.6
136.12079	2.0
138.03128	80.7
138.04903	2.2
139.03505	2.3
145.61713	0.9
153.01884	4.6
153.05481	60.0
153.07407	5.9
153.09157	7.2
153.12755	81.3
154.04973	4.3
154.06030	1.2
154.08659	2.1
154.12167	7.0
154.15811	1.1
169.69839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01857	1.1
55.05305	0.3
55.05515	2.7
57.03435	1.7
59.04998	0.4
61.75142	0.2
65.03938	10.7
67.05167	0.4
67.05505	5.8
68.99782	0.7
69.03430	1.9
69.07066	2.5
70.94267	0.4
71.01342	0.4
71.04977	1.1
71.94100	1.4
79.05491	6.2
81.03416	0.7
81.07052	5.9
82.04237	0.3
83.04984	4.0
83.08624	0.8
91.05485	4.0
93.03403	8.6
93.07043	7.6
93.86184	0.3
95.04967	100.0
95.08601	4.1
96.05304	1.2
96.08115	0.4
97.02889	0.6
97.06522	4.4
105.07031	1.0
107.04955	0.9
107.08592	11.0
108.08127	0.3
109.06514	11.8
109.10170	2.2
110.03673	2.4
111.04436	11.5
111.08077	8.9
112.04731	0.3
115.05486	0.3
117.06989	0.7
119.06030	0.3
121.02844	0.3
125.02361	0.8
125.05988	7.4
125.09608	1.6
135.08072	3.9
135.11696	2.6
138.03116	0.7
142.96922	0.2
149.33205	0.3
153.01889	1.6
153.05486	3.1
153.09116	5.0
153.12747	3.6
154.05016	0.4
154.08598	0.9
154.12250	0.6
156.91353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59106	0.1
53.03942	0.2
55.01861	0.4
55.05515	5.2
56.96559	0.2
57.03435	0.2
57.07064	0.2
57.33454	0.2
59.04995	0.3
65.03947	2.8
67.05505	4.9
69.03431	0.7
69.07066	1.7
70.71004	0.3
70.71373	0.4
70.94251	0.2
71.04995	0.4
71.94108	0.2
79.05489	1.8
81.07062	1.4
82.04195	0.2
83.04987	8.4
83.08628	0.4
91.05489	1.3
93.03400	0.9
93.07043	2.2
95.04972	100.0
95.08611	0.7
96.05302	2.0
96.08121	0.3
97.06517	1.2
105.04482	0.2
105.07032	0.3
106.53431	0.2
107.04975	0.5
107.08597	3.0
109.06517	1.2
109.10174	0.9
109.34683	0.2
110.03620	0.6
111.04446	1.8
111.08088	4.8
112.98672	0.2
117.07021	0.2
119.06141	0.2
125.05989	1.1
125.09647	0.6
135.04428	0.2
135.08060	1.3
135.11711	0.5
136.07503	0.2
138.03136	0.5
138.04210	0.1
148.02908	0.2
153.01903	0.2
153.05516	0.9
153.09119	2.4
153.12773	1.4
154.04927	0.2
154.08597	0.2
154.12300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	3-Methoxytropolone
Peak:m/z	Relative Intensity
51.02374	0.5
53.03726	0.3
53.03940	1.7
55.01873	0.8
55.05523	1.9
56.96566	1.8
57.03439	0.6
59.05004	0.5
64.03165	0.5
65.03946	5.1
67.05506	2.8
68.99793	0.4
69.03432	1.6
69.07066	3.0
69.41502	2.3
70.94261	1.8
70.95873	0.6
71.04994	0.8
71.94097	1.4
71.95268	3.1
73.06554	0.5
77.03925	0.8
79.01873	0.4
79.05499	9.1
81.03410	1.3
81.07053	2.2
82.04202	8.3
83.04572	0.4
83.04995	2.9
91.05505	1.9
92.02641	1.1
93.02914	0.5
93.03403	2.7
93.04427	0.4
93.07046	3.6
95.01349	0.6
95.04974	3.9
95.08625	1.8
96.08147	1.0
97.02922	0.4
97.06551	3.0
98.01277	0.5
103.56339	0.3
105.03403	0.7
105.04562	0.6
105.07055	0.5
107.04967	4.1
107.08602	4.5
108.08134	0.3
109.02882	1.1
109.06528	1.1
109.10154	1.8
110.01382	0.4
110.03664	17.0
111.04455	5.0
111.08092	2.5
111.96878	1.0
112.96758	0.6
119.08498	0.3
120.02091	1.0
121.02877	0.5
121.06483	0.3
122.06938	0.3
123.04438	0.7
125.02435	0.5
125.06001	6.7
125.09673	0.4
129.97917	0.4
131.00182	0.5
135.04420	1.7
135.05373	0.4
135.08051	1.2
135.11703	1.6
136.07625	0.6
138.03125	100.0
139.03465	1.8
153.01857	1.5
153.05475	66.8
153.09073	1.4
153.12715	2.5
154.04897	0.8
154.05968	0.6
154.08636	0.6
154.12288	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	153.0548
Annotation	3-Methoxytropolone
Peak:m/z	Relative Intensity
53.03949	1.6
54.04726	0.6
55.01866	1.0
55.05518	2.9
56.96569	2.1
58.80627	0.3
59.04996	0.7
64.03120	0.4
64.22496	0.3
65.03943	7.0
67.05507	2.8
69.03436	2.3
69.07069	1.9
70.94259	2.0
70.95861	0.7
70.98102	0.3
71.05000	0.8
71.30434	0.4
71.94118	1.9
71.95270	1.9
77.03929	1.0
79.05499	8.8
81.03403	2.3
81.07057	2.6
82.04207	7.6
83.04993	3.8
87.54615	0.4
88.95291	0.5
91.05492	1.0
92.02626	1.2
93.03407	3.7
93.07049	3.7
93.46606	0.4
95.04983	5.2
95.08619	2.3
96.08146	1.0
97.02907	0.5
97.06541	2.9
105.04514	0.9
105.07049	0.7
107.04976	4.2
107.08598	4.3
108.08105	0.6
109.02845	0.7
109.06523	2.0
109.10149	2.2
110.03668	14.8
111.04459	8.6
111.08073	2.3
111.96851	1.8
112.07604	0.4
112.96725	1.0
120.02098	1.1
121.06498	0.3
123.04416	0.8
125.02383	0.7
125.06002	6.9
125.09616	0.8
126.05551	0.6
129.97946	0.8
130.96326	0.4
135.04427	1.5
135.08041	1.1
135.11705	1.3
136.07591	0.8
138.03130	100.0
139.03473	1.4
152.06197	0.4
153.01860	1.6
153.05476	62.4
153.09038	3.2
153.12727	2.6
154.05814	1.2
154.08591	0.6
154.12263	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	Isovanillin
Peak:m/z	Relative Intensity
53.03942	1.1
54.04729	0.3
55.01870	0.6
55.05506	0.9
56.96560	0.7
57.03439	0.3
61.10328	0.2
65.03939	3.2
67.05502	1.8
68.99801	0.2
69.03429	0.7
69.07061	1.6
69.82820	0.9
70.94254	0.6
70.95871	0.3
71.04968	0.4
71.94099	0.3
77.03926	0.5
79.05498	6.8
81.03417	1.8
81.07057	1.5
82.04198	7.8
83.04969	1.3
91.05489	0.7
92.02624	0.8
93.03399	2.1
93.07049	1.5
95.04970	3.1
95.08608	0.6
97.02892	0.4
97.06535	0.9
98.20741	0.3
100.01074	0.3
105.03401	0.5
105.04526	0.4
107.04966	2.8
107.08591	2.0
109.02866	0.9
109.06537	0.6
109.10152	0.7
109.84134	0.3
110.03665	13.6
111.04489	1.8
111.08096	1.0
111.96895	0.4
120.02077	1.4
120.11357	0.3
121.02837	0.3
121.06474	0.3
123.04429	0.7
125.05990	4.8
125.09617	0.3
135.04402	0.7
135.08087	0.3
135.11694	0.6
138.03122	100.0
139.03441	1.5
151.07004	0.3
153.05469	66.1
153.09081	1.0
153.12715	1.0
154.05917	1.4
154.12244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
53.03947	1.1
53.64911	0.4
55.01872	2.8
55.05514	8.7
56.96569	1.9
57.03443	1.5
59.05023	0.6
65.03947	80.3
67.05514	5.2
68.99815	0.7
69.03436	2.4
69.07079	4.7
71.04999	0.8
71.58121	0.4
71.58506	0.6
71.94112	0.6
79.05503	5.4
81.03422	0.6
81.07066	3.9
82.04193	0.5
83.04991	13.1
83.08634	0.6
91.05483	3.7
93.03413	75.6
93.07052	6.9
94.03754	0.7
95.04976	21.9
95.08619	3.7
96.08123	0.8
97.02911	0.6
97.06535	4.8
105.07055	1.6
107.04950	2.7
107.08602	11.2
109.06527	3.4
109.10158	4.3
110.02905	0.4
110.03667	11.5
111.04453	100.0
111.08096	6.8
111.96871	0.8
112.04800	1.2
124.05260	0.5
125.06003	54.8
125.09630	1.4
126.06345	1.0
134.06027	2.3
135.04436	1.2
135.08041	2.4
135.11711	1.7
135.14494	0.5
138.03101	0.8
153.01924	2.2
153.05484	19.5
153.09058	3.7
153.10175	0.6
153.12747	4.0
154.08696	1.2
154.12279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00331	0.4
53.03940	1.3
54.04725	0.6
55.01878	0.6
55.05509	1.9
56.96560	0.6
57.03437	0.4
64.03169	0.4
65.03945	3.7
67.05513	2.0
69.03428	1.0
69.07074	2.1
70.89567	0.3
70.89901	0.7
70.94263	0.6
71.04993	0.5
71.94105	0.3
71.95260	0.4
77.03926	0.6
79.05500	7.5
81.03432	1.5
81.07065	1.8
82.03719	0.4
82.04205	7.5
82.04681	0.6
83.04992	2.1
86.10489	0.3
91.05487	0.6
92.02628	0.8
93.03420	1.7
93.07070	2.2
95.04975	3.1
95.08611	1.3
97.06538	1.5
98.00706	0.2
105.03414	0.5
105.04499	0.4
107.04961	3.0
107.08595	2.4
109.02905	0.8
109.06543	0.6
109.10172	0.8
110.03673	13.1
111.04497	2.0
111.08089	0.9
111.96869	0.3
120.02087	1.5
123.04469	0.6
125.02470	0.3
125.06010	3.5
125.09604	0.6
126.87746	0.3
135.04431	0.6
135.08084	0.7
135.11728	0.5
138.03130	100.0
139.03450	1.9
150.97366	0.3
150.98613	0.3
153.05478	62.4
153.08902	1.3
153.12762	1.2
154.05887	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
54.04731	0.5
55.05515	0.5
56.54816	0.2
56.96569	0.3
60.61437	0.2
64.03151	0.2
65.03947	2.1
65.76361	0.2
67.05502	1.4
69.03439	0.3
69.07078	0.4
70.76552	0.5
70.94247	0.3
71.04986	0.7
77.03939	0.8
79.05502	6.7
79.39651	0.2
81.03427	1.3
82.04208	7.9
82.39306	0.2
83.04988	0.4
91.05495	0.3
92.02646	1.2
93.03413	1.1
93.07049	0.9
95.04977	2.0
95.08600	0.6
97.06539	0.6
103.84296	0.3
105.03396	0.5
105.04492	0.4
107.04964	2.5
107.08564	0.6
109.02872	0.8
110.03672	13.2
111.04452	0.9
111.08102	0.5
120.02074	1.2
121.02774	0.3
122.90802	0.2
123.04442	0.8
125.05980	2.9
135.04381	0.5
135.08003	0.3
138.03128	100.0
139.03455	1.7
153.05475	61.9
153.12776	0.6
154.05806	0.9
162.06572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
51.78101	0.2
53.03948	1.0
54.04732	0.6
56.96561	0.4
62.67189	0.2
63.02364	0.3
64.03165	0.3
65.03941	1.8
67.05509	0.8
69.46113	1.5
71.01350	0.3
72.65186	0.2
77.03939	0.7
79.05499	5.8
81.03426	1.7
82.03722	0.4
82.04205	7.7
83.04989	0.4
92.02634	1.2
93.03423	0.4
95.04965	2.0
105.03413	0.4
105.04515	0.4
107.04961	2.3
108.97671	0.2
109.02875	0.6
110.03674	13.2
111.04472	0.3
120.02082	1.6
121.02834	0.2
123.04413	0.6
125.06003	2.7
129.15442	0.2
135.04442	0.6
138.03130	100.0
138.38451	0.2
139.03464	1.4
153.05476	56.7
154.05794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	3-Methoxytropolone
Peak:m/z	Relative Intensity
53.03942	2.0
54.04737	0.6
55.01869	1.5
55.05519	3.8
56.96568	3.2
57.03439	0.7
59.05005	0.9
65.03945	7.8
67.01880	0.4
67.05516	4.5
68.99770	0.6
69.03429	3.3
69.07072	4.9
69.66449	2.5
70.06590	0.5
70.94263	2.3
70.95868	1.0
71.04992	0.8
71.94105	1.7
71.95270	5.0
77.03918	1.0
79.05501	11.0
81.03420	2.1
81.07065	4.0
82.04207	8.6
83.04993	5.3
83.08608	1.3
85.02926	0.5
88.95308	0.8
88.96951	0.6
91.05473	2.4
92.02625	0.8
93.03400	3.8
93.07056	6.6
95.04974	7.3
95.08615	3.2
96.08134	2.0
97.02872	0.6
97.06538	5.0
98.97525	0.6
105.04518	0.6
105.06982	0.4
107.04972	4.5
107.08601	7.4
108.04491	0.4
109.02900	1.0
109.06507	2.6
109.10172	3.5
110.03666	14.7
111.04456	10.4
111.08095	4.6
111.96901	2.1
112.96716	0.8
120.02106	1.5
121.02864	0.9
123.04425	1.0
125.02361	0.8
125.06001	8.1
125.09653	1.2
129.97887	1.3
135.04472	2.2
135.08061	2.0
135.11673	2.7
136.07559	0.6
138.03130	100.0
139.03476	1.5
148.97302	0.4
153.02000	3.3
153.05478	69.5
153.09094	2.9
153.10269	0.9
153.12755	4.1
154.05006	1.5
154.08635	0.6
154.12296	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	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.02374	3.6
52.03176	1.7
53.03955	15.9
55.01873	14.5
55.05257	2.9
55.05515	43.3
56.96557	7.0
57.03434	4.3
57.07070	4.9
57.29604	1.6
58.06591	3.6
59.04987	4.4
59.07387	3.2
62.34793	1.5
64.85970	1.6
65.03944	24.4
66.62343	1.6
67.05509	75.2
68.99789	5.6
69.03431	16.1
69.07069	13.4
69.82841	4.5
69.83244	5.7
71.04985	5.6
77.03931	5.3
78.04733	2.4
78.59805	2.2
79.05052	2.7
79.05498	39.2
79.63122	1.7
80.02650	2.9
80.05817	2.3
81.03426	11.1
81.07063	98.5
81.73015	1.7
82.07385	1.8
83.04980	7.5
83.19431	1.7
85.02904	3.7
91.05489	71.1
92.05790	3.1
93.03404	2.4
93.07049	63.6
95.01366	2.3
95.04975	50.8
95.08614	38.2
96.04546	1.8
96.05770	2.0
97.06525	6.7
98.21395	3.2
98.97594	3.2
103.05473	5.9
105.03371	2.0
105.04510	4.3
105.07043	76.3
107.04971	12.1
107.08600	45.5
108.02113	22.9
108.05787	8.3
109.02879	2.7
109.06526	55.6
109.10162	76.1
109.53609	1.8
110.10485	1.7
111.04428	3.8
119.01825	1.8
119.04971	14.1
119.05714	2.1
119.06110	1.6
121.04052	3.2
121.06512	5.0
121.10148	5.4
123.04469	9.3
123.05206	1.6
123.08082	34.6
123.11707	22.2
124.07573	4.2
131.08588	2.0
133.06490	9.6
133.10138	28.4
134.05959	3.3
135.04445	2.5
136.01611	2.6
136.05196	4.7
136.08809	3.9
141.05484	7.8
151.03905	100.0
151.05049	41.9
151.07549	62.1
151.08629	3.9
151.11188	74.8
152.04344	2.5
152.05667	3.8
152.07098	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	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.02377	1.3
53.03953	7.4
55.01852	4.4
55.05266	2.7
55.05515	38.9
56.96554	2.1
57.03441	14.6
57.07064	5.8
58.06596	1.5
59.04991	4.2
59.07364	1.4
65.03938	6.9
66.03475	1.5
67.05507	55.0
68.99758	1.4
69.03431	9.9
69.07065	10.3
71.04980	4.2
71.57410	2.9
72.71391	1.1
73.61549	1.3
78.04723	1.4
78.13745	1.4
79.05497	31.2
81.03418	3.3
81.07062	100.0
82.07390	2.8
83.04964	4.3
83.08620	1.6
85.06578	1.2
88.92626	1.3
91.05486	44.6
91.22352	1.2
92.05011	1.6
93.07049	61.9
95.04970	30.0
95.08609	38.1
96.08153	2.5
97.06542	7.0
103.05489	2.6
105.03408	1.5
105.04520	3.1
105.07038	55.5
107.04958	4.5
107.08601	36.8
108.02110	2.3
108.05724	5.0
109.06525	47.3
109.10162	62.0
109.10917	2.9
115.05470	1.8
116.79796	1.3
119.04949	7.4
119.06085	3.3
121.06509	3.3
121.10146	4.3
121.75819	1.6
122.07265	3.8
123.04436	5.1
123.08078	45.4
123.09136	5.1
123.11716	28.3
124.07620	3.3
133.06480	5.7
133.07520	2.2
133.10132	31.9
134.06018	2.3
136.05228	1.7
136.08794	3.0
139.38719	1.4
141.05507	2.4
151.02869	2.0
151.03903	21.5
151.05032	4.1
151.06271	2.0
151.07552	40.5
151.08684	11.0
151.11189	69.6
151.14803	1.6
152.07083	5.0
167.05182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.03951	7.6
54.19896	1.4
55.01859	5.0
55.05516	100.0
57.07069	1.9
59.04995	2.7
65.03955	10.4
67.05177	1.7
67.05509	27.5
68.99744	1.0
69.03433	2.4
69.07069	5.6
70.91180	3.1
71.04966	1.3
77.03925	2.6
79.05502	13.8
81.03433	1.2
81.07063	41.0
83.05002	1.4
91.05492	19.4
93.07041	10.2
95.04982	19.7
95.08615	9.1
97.06543	19.2
103.05448	1.3
105.07042	19.9
107.04969	2.8
107.08608	13.1
108.02105	11.9
108.05711	2.6
109.02930	1.4
109.06528	15.2
109.10168	20.5
110.07299	1.6
111.04405	2.6
119.04951	4.3
121.03957	1.3
121.10136	3.1
121.15814	1.0
122.02390	2.0
123.04433	2.1
123.08070	6.0
123.11726	12.3
133.06532	1.4
133.10149	6.2
135.04413	2.1
136.01576	2.0
136.05211	2.0
136.08791	1.4
141.05495	6.7
151.03888	60.9
151.05034	27.9
151.07555	22.6
151.11186	24.4
152.04213	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03958	2.9
55.01871	2.1
55.05515	9.3
55.94383	0.5
56.96573	2.9
57.03441	1.3
58.06604	1.7
59.04991	0.4
59.07381	2.1
63.91522	0.4
65.03943	8.5
66.29887	0.4
67.05511	11.0
69.03436	2.3
69.07074	1.4
69.51167	1.1
69.51579	1.9
71.04966	0.6
73.84121	0.4
77.03929	0.8
79.05496	7.4
79.51833	0.4
80.06284	1.4
81.03421	1.3
81.04528	0.6
81.07056	10.9
84.08153	0.5
85.02925	0.8
91.05486	100.0
92.05811	1.4
93.07056	4.8
94.04166	0.5
95.01330	0.6
95.04977	13.6
95.08610	9.4
96.08174	0.6
97.06547	1.2
98.97579	2.1
103.05469	1.6
105.03413	1.0
105.04501	1.0
105.07040	10.6
106.06549	0.6
107.04942	2.1
107.08608	4.4
108.02106	3.2
108.05754	2.9
109.02896	0.6
109.04006	0.6
109.06538	6.4
109.10160	4.5
110.06068	0.7
110.97599	0.5
111.04431	1.0
113.54601	0.4
116.98649	0.5
119.04951	49.7
120.05241	0.6
121.06538	1.0
123.04429	3.7
123.08076	8.4
123.11736	2.3
124.07584	1.4
128.02248	0.7
128.03065	1.9
133.02823	0.6
133.06488	2.0
133.10175	2.6
134.05994	0.7
136.05203	10.3
137.03616	2.3
137.05974	4.3
141.05443	1.8
151.02896	1.3
151.03894	18.4
151.05031	5.5
151.07547	56.3
151.08583	2.3
151.11174	8.6
152.03314	0.7
152.06926	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	151.0754
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
53.03954	3.7
55.01867	6.7
55.05511	14.4
57.07071	3.2
62.35404	1.6
65.03934	4.5
66.09669	1.7
66.63942	1.7
67.05167	3.0
67.05505	47.1
68.76646	2.0
69.03069	3.3
69.03427	48.5
69.07058	7.7
69.43121	12.4
70.69374	2.4
71.04988	3.8
75.04542	1.9
79.05494	23.6
81.03429	2.7
81.07058	52.5
83.04984	2.0
83.08626	2.2
91.04971	1.9
91.05486	22.8
93.07040	26.5
94.04163	2.9
95.04961	16.2
95.08610	76.0
97.02917	2.2
103.05502	3.3
105.07028	42.8
107.04940	5.6
107.08599	14.5
108.02078	1.8
108.05728	3.9
109.06522	86.3
109.10159	33.9
111.04443	1.8
119.04871	2.7
119.06129	1.9
121.06470	2.7
122.07274	7.0
123.04435	6.4
123.08073	27.3
123.11706	8.3
133.06499	19.0
133.10150	6.8
151.03944	22.5
151.04993	3.0
151.07547	100.0
151.11179	46.7
151.12338	4.0
151.14798	8.9
152.07037	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	151.0755
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
50.01587	0.6
50.76802	0.5
50.97457	0.6
51.02369	0.5
53.03956	5.1
55.01864	2.2
55.05518	2.1
56.96571	6.7
57.03437	1.3
61.02919	0.6
65.03947	6.9
65.67120	0.5
67.05508	5.3
68.95296	1.0
69.03430	1.4
69.07070	1.3
69.21443	0.5
70.94804	1.4
73.02917	1.8
74.13548	0.6
77.03938	1.7
78.04716	5.8
79.05480	3.8
81.01038	0.6
81.03417	2.6
81.07059	5.7
83.00808	0.6
84.96098	0.5
85.02913	1.0
89.00812	1.1
91.05489	53.5
93.07043	4.4
95.04980	18.2
95.08617	4.8
98.01297	1.6
98.97575	3.0
101.00794	1.1
104.01237	0.7
105.04548	2.6
105.07025	6.3
106.03593	0.8
106.04184	4.2
107.04974	2.1
107.08589	2.6
108.02087	2.7
108.05753	1.2
109.06522	5.0
109.10183	2.7
110.01297	3.1
110.97581	1.0
116.48174	0.8
116.98632	0.8
119.01826	2.3
119.04937	1.3
119.08598	1.0
121.06517	100.0
121.52071	0.8
122.06896	1.9
123.04433	2.6
123.08083	3.8
123.11744	1.5
127.03885	0.5
128.02315	1.4
128.98651	1.5
133.10161	1.5
136.01572	0.7
136.05211	1.2
139.07550	16.4
139.08612	0.9
147.07547	0.9
149.07112	3.7
151.03928	35.9
151.04936	1.6
151.07552	58.9
151.11189	8.9
152.06998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
51.02375	0.4
52.31732	0.3
53.03939	1.4
55.01873	0.5
55.05508	0.8
55.87941	0.4
56.96557	0.5
57.03429	0.4
58.95629	0.3
65.03930	2.5
65.64130	0.3
66.04735	1.5
67.05505	2.3
69.03416	0.5
69.07072	0.8
69.47599	1.5
69.48025	0.8
73.02892	0.3
77.03932	0.3
77.94886	0.3
78.04716	1.9
79.05492	4.2
80.05848	0.5
80.06285	4.1
81.01628	0.3
81.03415	0.5
81.07057	2.0
88.67945	0.3
89.03925	0.4
89.55618	0.3
90.04704	2.4
91.05486	16.1
93.03408	1.1
93.07047	2.3
94.04201	0.4
95.04977	3.6
95.08604	1.2
98.97583	0.4
102.92452	0.3
103.05460	0.3
105.03405	2.6
105.04506	0.7
105.07042	1.0
106.04201	3.0
107.04962	29.7
107.08627	0.4
108.04585	0.6
108.05750	13.2
109.06531	2.1
109.10170	0.8
118.04173	1.2
119.04948	0.7
119.06121	0.4
121.02871	0.4
121.06519	8.1
122.03635	0.5
123.04430	0.7
123.08054	1.7
123.11726	0.8
128.02330	0.3
133.10120	0.9
135.04424	10.0
136.05217	6.6
139.07568	1.0
149.07161	0.6
151.03992	5.6
151.07552	100.0
151.11000	1.9
152.04703	1.1
152.07932	1.6
169.03496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Piperonal
Peak:m/z	Relative Intensity
52.03157	0.7
53.03942	1.1
55.01861	1.5
55.05519	2.1
56.96568	7.5
57.03425	1.3
57.07065	0.4
59.04996	0.7
60.19184	0.3
61.02918	0.8
65.03942	6.6
67.05164	0.5
67.05507	6.9
68.95274	1.4
68.99779	0.6
69.03408	1.1
69.07067	2.0
71.04996	0.4
71.56130	0.4
73.02909	1.2
73.87603	0.3
75.01060	0.4
77.40585	0.4
79.05492	3.0
80.02641	0.9
81.03410	1.3
81.07058	8.3
82.06579	0.5
83.00771	1.0
84.62295	0.4
85.02899	1.5
87.04435	0.4
89.00773	0.8
90.01585	0.4
91.05482	3.2
93.03374	0.4
93.07046	4.4
95.00760	0.7
95.04973	34.6
95.08607	5.9
95.43459	0.4
96.01545	0.5
96.05289	0.6
97.02858	0.7
97.99165	0.5
98.01283	0.9
98.03742	0.5
98.97584	3.9
101.00770	0.7
104.01242	0.5
105.07028	4.2
107.04983	0.7
107.08595	2.4
107.47613	0.6
108.02110	7.1
108.05738	0.5
109.02852	0.3
109.06529	3.7
109.10155	4.5
109.52090	0.5
110.01283	2.4
110.03658	0.6
110.84641	0.3
110.97575	1.1
111.04456	0.8
116.98623	1.2
118.98416	0.3
119.01815	2.8
119.08590	0.9
121.02869	0.5
121.03948	0.5
121.06541	0.4
123.03493	0.6
123.04436	4.7
123.08064	3.4
123.11720	2.9
128.02336	1.9
128.98605	0.9
130.52577	0.6
133.06528	0.6
133.10136	2.2
133.76730	0.3
134.06027	0.4
134.99696	0.5
136.01553	0.6
139.53134	0.5
140.00198	0.5
141.05472	1.2
146.99602	0.5
148.09566	0.3
151.03911	100.0
151.07462	3.7
151.11182	6.7
152.01563	0.5
152.04262	2.1
152.07062	1.0
152.10686	0.6
154.02623	0.4
166.09219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03941	5.2
54.38349	1.6
54.97814	1.8
55.01861	4.4
55.05508	11.1
65.03947	47.3
66.42441	2.0
67.05512	5.9
67.13580	2.3
69.07073	21.4
71.47335	3.6
79.05499	29.8
81.07069	15.7
83.38296	1.8
85.33548	1.9
91.04903	1.9
91.05063	1.1
91.05479	45.9
93.03413	13.4
93.07052	86.8
94.07350	2.6
95.04960	6.0
95.08591	5.9
103.05479	4.8
105.07027	28.5
106.04146	2.3
107.04985	12.9
107.08601	76.2
108.04473	2.4
109.06521	6.3
111.04446	4.7
113.55399	2.4
116.06244	2.3
119.08595	6.2
121.02872	53.6
121.03991	21.5
121.06523	23.4
121.09305	3.1
121.10152	45.2
122.43008	2.1
129.06947	2.1
131.08559	8.0
134.10814	2.1
149.02353	100.0
149.05989	8.8
149.09639	24.1
149.13266	27.2
150.02751	2.7
154.56747	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
50.09372	1.5
52.58918	1.3
53.03945	3.5
55.01863	2.0
55.05517	9.9
55.22908	1.7
56.96567	4.5
65.03599	2.6
65.03946	52.9
67.05503	7.9
69.07070	15.7
70.23151	3.1
70.23523	2.6
77.03932	2.0
79.05496	21.0
81.07065	32.7
83.08662	1.5
90.52763	1.3
91.05489	21.6
93.03411	12.7
93.07051	79.1
95.04961	4.0
95.08607	4.7
98.03670	1.7
103.05465	5.3
105.04499	1.8
105.07043	9.3
107.04970	1.7
107.07860	2.3
107.08603	48.6
108.04494	4.8
108.08913	1.5
111.04458	8.1
119.08613	1.6
121.02870	56.6
121.03983	18.1
121.06532	6.0
121.10159	22.3
131.04964	2.0
149.02351	100.0
149.09662	9.2
149.13271	30.4
150.02657	3.2
150.05540	1.9
151.67841	1.7
167.03516	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	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02379	0.8
52.56823	0.8
53.03953	4.5
55.01875	1.8
55.05515	11.3
55.64722	0.8
56.96571	1.5
65.03944	27.7
67.05513	10.5
69.03427	0.9
69.07072	18.3
69.37838	0.7
71.18256	1.0
71.18611	1.4
77.03933	1.2
79.05499	32.6
81.03416	0.9
81.07063	46.8
83.08627	2.2
88.01794	0.8
88.12894	0.8
91.05489	25.4
93.03424	5.6
93.07050	100.0
94.07377	1.3
95.04978	4.6
95.08608	9.1
105.03390	0.9
105.04513	2.3
105.07032	8.9
107.04983	3.0
107.08602	56.6
108.04506	1.3
109.06554	1.8
111.04453	3.8
115.44092	0.8
118.51918	0.7
119.06036	0.9
119.08609	1.8
121.02003	1.4
121.02876	29.4
121.03989	8.0
121.06478	1.5
121.10161	23.5
126.39410	0.8
131.04994	0.8
146.06676	1.2
147.11736	0.9
149.02356	49.5
149.05980	1.4
149.09641	4.9
149.13274	35.7
150.02646	1.2
150.13593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03948	4.9
55.05518	12.3
65.03935	7.6
67.05518	14.4
69.07070	23.2
71.46607	4.4
75.32323	1.8
79.05499	40.1
79.52713	1.6
80.79917	1.6
81.07060	62.2
83.08601	2.5
91.05482	23.8
93.07051	100.0
95.04973	5.0
95.08593	11.2
97.85313	2.3
105.04533	3.0
105.07039	8.0
107.08608	66.8
109.06506	1.9
121.02875	6.0
121.10146	23.9
149.02390	8.6
149.13272	41.4
150.89488	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03933	6.1
55.05518	8.9
65.03937	5.0
65.73072	1.3
67.05511	7.4
69.07076	18.6
69.30184	13.6
70.57227	1.3
77.03933	2.8
79.05501	30.3
81.07063	37.4
83.08601	2.2
87.45444	1.8
91.05493	26.9
93.07052	100.0
94.07390	1.5
95.04980	3.3
95.08627	7.2
103.10123	1.7
105.04481	2.7
105.07023	6.0
107.08607	59.2
109.06525	1.6
115.34332	1.4
119.08630	2.9
121.02828	4.9
121.03925	1.4
121.10152	29.2
141.24854	1.5
149.02335	6.6
149.13268	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03941	3.5
55.01859	3.0
55.05515	7.0
65.03946	57.3
67.05500	5.9
69.03432	1.0
69.07080	12.4
69.21447	2.3
69.21854	9.3
79.05503	18.0
80.02653	1.2
80.05022	1.0
81.07060	26.2
82.66626	1.0
91.04960	1.6
91.05486	17.5
93.03409	12.7
93.07051	58.9
94.06579	1.1
94.07419	1.5
95.04981	4.2
95.08604	5.1
98.03674	2.8
103.05473	1.0
105.03366	1.3
105.04529	1.9
105.07043	8.4
107.04932	1.1
107.08601	39.2
108.04489	1.7
108.06866	1.8
109.06550	2.5
111.04450	8.5
119.06123	1.2
119.08606	1.7
121.02875	59.0
121.03986	22.5
121.06505	2.7
121.10152	20.3
122.03173	1.2
149.02356	100.0
149.08401	1.6
149.09639	5.3
149.13266	19.4
150.02750	2.9
167.03416	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	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.21581	0.8
53.03937	3.5
53.97551	0.8
55.01870	2.4
55.05518	5.8
56.96559	3.2
60.47044	0.8
65.03947	55.2
65.51646	0.7
67.05505	10.0
68.99769	1.0
69.03419	1.7
69.07079	8.2
70.59526	2.6
71.33851	0.8
79.05058	1.5
79.05499	23.2
81.06580	1.4
81.07062	29.0
83.08599	1.1
89.03948	1.0
91.05489	13.3
93.03413	11.7
93.07053	37.2
93.40771	0.9
95.04977	2.7
95.08613	5.1
98.03699	2.1
103.05477	1.7
105.04470	1.1
105.07043	5.9
107.05006	1.2
107.08607	27.5
108.04499	3.0
109.06503	1.3
110.28919	0.8
110.95817	0.8
111.04462	7.3
119.08577	1.4
121.02875	58.7
121.03987	21.0
121.06538	3.4
121.10154	9.8
122.03195	1.5
131.04964	0.9
139.05522	1.0
149.02356	100.0
149.06004	2.8
149.09621	8.3
149.13269	16.1
150.02666	2.4
167.03363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97772	1.0
53.03947	2.9
55.01878	2.4
55.05503	4.8
56.96557	3.5
65.03947	53.8
66.54408	1.1
67.05505	3.3
67.23297	1.2
69.07075	7.0
69.83480	2.5
69.83892	4.3
79.05504	11.4
81.07061	20.0
81.97990	1.1
90.36899	1.2
91.05495	16.0
93.03407	11.5
93.07050	43.2
95.04938	1.9
95.08564	1.4
98.03695	2.1
103.05443	2.0
105.07015	3.4
107.04953	6.3
107.08602	19.8
108.04470	4.2
109.06503	1.5
111.04465	6.6
111.56684	1.0
116.06211	1.2
121.02875	61.3
121.03989	20.9
121.06522	5.2
121.10163	10.7
145.38596	1.1
149.02356	100.0
149.09654	5.8
149.13269	11.1
150.02708	2.0
150.05545	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03938	6.6
55.01876	18.2
55.05497	5.1
57.03418	1.9
65.03945	52.0
67.05505	8.5
69.03425	4.5
69.07054	3.4
70.85787	3.7
70.86108	2.3
77.03926	2.6
78.04723	2.0
79.05499	56.3
81.03428	2.3
81.07068	9.3
89.03924	3.8
91.05486	62.9
93.03402	11.9
93.07052	65.2
94.07359	2.3
95.04963	9.2
95.08582	2.0
98.20742	2.1
100.60592	1.8
103.05486	15.1
105.04497	2.0
105.07033	59.0
107.04965	22.5
107.08604	62.9
108.04495	2.9
109.06544	3.2
111.04439	6.6
115.05431	2.6
116.06236	7.0
119.06036	1.6
119.08590	4.3
121.02000	2.9
121.02872	56.9
121.03979	14.4
121.06511	19.7
121.10166	25.8
129.07028	4.9
129.08122	1.6
131.04938	10.1
131.08568	31.0
131.71542	1.8
134.07303	2.7
134.10826	1.7
149.02351	100.0
149.06018	14.1
149.07033	3.3
149.09633	70.3
149.13258	7.1
150.02669	2.4
150.05518	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	149.0599
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02374	1.3
51.76662	0.5
53.03947	5.5
55.01869	2.7
55.05515	1.8
56.96568	14.6
57.04271	0.6
59.55013	0.6
64.17418	0.6
65.03945	28.9
67.05508	2.6
69.03453	0.6
69.07084	1.2
69.61536	3.6
70.98108	0.8
71.04991	0.7
71.95272	0.6
77.03936	1.2
79.05499	45.7
80.05024	1.7
80.05818	1.0
81.03407	1.0
81.07021	1.0
83.04977	1.3
91.05487	16.5
93.03404	6.9
93.07049	33.9
94.06567	3.5
94.94852	0.5
95.04978	6.5
98.03696	1.2
98.97582	1.2
100.02493	0.9
100.99162	0.8
101.56128	0.6
102.03368	2.7
103.05476	100.0
104.05799	2.5
105.04530	2.8
105.07037	3.1
106.06561	1.0
107.04963	26.1
107.08606	0.9
108.04484	1.8
111.03857	2.1
111.04512	5.6
115.04138	0.9
119.00191	0.9
121.02875	36.2
121.03993	10.7
121.06511	17.9
121.10178	1.2
122.03198	0.8
122.06051	1.6
124.04671	1.6
131.04898	4.8
131.08591	0.8
133.05090	1.6
141.96916	0.6
149.02356	60.9
149.06017	7.6
149.07114	1.6
149.09637	1.4
150.02692	1.5
150.05536	4.4
150.06593	0.7
150.07770	3.9
150.09033	1.0
169.03459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03944	13.0
55.01875	25.2
55.05507	8.2
65.03945	51.6
65.51849	3.0
67.05505	12.4
69.03423	3.7
70.94514	5.1
77.03918	4.6
79.05496	82.8
81.03394	3.4
81.07056	10.4
83.04978	3.4
89.03913	4.7
91.05487	90.6
93.03407	11.3
93.07045	83.7
95.04971	8.5
95.08618	2.7
103.05483	15.5
105.04527	4.3
105.07037	76.8
107.04963	41.7
107.07854	4.9
107.08604	91.5
108.04491	3.4
108.36671	2.7
109.06557	7.2
111.04447	5.5
116.06250	7.8
119.08572	6.2
121.02876	56.1
121.03968	12.7
121.06517	28.8
121.10163	29.8
129.07040	7.7
131.04956	15.0
131.08583	44.1
133.06566	4.1
134.07269	3.0
149.02361	100.0
149.05948	13.9
149.09636	93.6
149.13251	7.0
150.10045	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	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
55.05511	8.2
64.77058	0.9
65.03953	1.8
67.05499	2.8
69.07063	1.6
71.02034	2.1
79.05499	8.5
87.56644	0.8
91.05488	47.8
92.05776	1.1
93.07030	4.1
95.05022	1.0
96.90659	0.9
103.05478	4.8
104.06248	1.8
105.07035	56.5
107.08604	10.7
115.05466	3.5
116.06246	3.6
117.07024	18.0
119.04957	9.7
119.08589	100.0
120.08923	2.2
128.06244	1.3
130.07805	1.8
131.08580	3.9
132.09367	8.1
143.08578	1.0
145.10127	12.0
147.04436	5.0
147.08063	2.3
147.11700	44.4
148.12030	1.9
166.04628	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.64260	0.9
52.88803	0.9
53.03948	2.5
55.05512	9.5
57.81118	1.0
65.03952	1.9
67.05494	1.9
69.03429	1.7
69.07066	3.4
69.57210	7.2
79.05502	7.4
81.07055	1.7
82.47698	0.9
85.02904	1.4
91.05486	46.7
92.05810	3.4
93.07023	3.0
95.04996	1.2
98.20832	2.0
103.05470	4.7
105.07035	85.3
106.07331	2.0
107.08601	4.8
116.06222	2.2
117.07020	11.2
119.04951	5.6
119.06893	8.8
119.08586	100.0
120.08939	2.9
129.05360	1.1
129.06998	1.5
130.07802	1.0
131.08595	2.0
132.09348	3.7
145.10135	8.4
147.04462	8.3
147.06357	2.6
147.08080	4.5
147.11696	45.3
151.26682	0.8
169.53090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.1
53.03947	3.2
55.05510	11.6
60.42615	1.0
65.03932	1.4
65.43726	0.9
67.05512	8.4
69.07070	4.8
70.06600	3.9
71.50571	0.8
77.03936	1.2
79.05493	21.9
81.07052	6.3
84.56730	0.9
91.05486	67.0
92.05828	1.6
93.07040	8.1
95.04985	1.4
98.20810	1.5
103.05471	3.8
104.06254	1.1
105.07035	100.0
106.07295	1.9
107.08582	2.6
115.05407	1.1
117.07032	8.8
119.08585	60.0
120.08868	1.2
123.96433	0.9
129.12090	1.0
131.08525	1.0
132.09377	2.0
145.10118	3.6
147.04398	1.0
147.11696	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.72858	0.7
52.39489	0.8
53.03944	2.8
55.05508	6.6
67.05515	4.9
68.29160	0.8
69.07054	1.0
69.56808	2.6
69.57236	3.4
79.05498	8.4
81.07065	2.1
91.05486	23.8
93.07066	2.7
98.18285	0.8
103.05484	3.3
105.07035	100.0
106.07392	3.5
107.08620	2.3
111.24886	0.8
117.07024	6.4
119.05069	0.9
119.08589	42.5
120.08929	1.2
123.96337	0.9
132.09349	2.0
136.50514	0.8
137.90750	0.8
145.10176	3.1
147.11694	27.6
148.12090	1.1
149.67033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03946	1.8
55.05514	8.4
65.03943	3.0
66.39835	0.7
67.05505	2.2
69.07063	1.4
71.16238	1.2
71.16573	1.1
76.82961	0.7
79.05504	8.8
91.05483	51.4
92.05801	1.6
93.07053	2.7
96.83517	0.6
103.05473	7.1
104.06239	1.9
105.07036	57.6
107.04907	0.8
107.08592	9.8
115.05445	1.9
116.06266	2.3
117.07021	15.9
118.07785	0.9
119.04959	13.8
119.08585	100.0
120.08916	2.7
129.07001	1.8
130.07811	1.3
131.08553	3.3
132.09352	10.3
143.51701	0.8
145.10133	9.7
147.04411	6.3
147.08063	1.4
147.09193	1.4
147.11694	42.2
148.07475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03933	1.7
55.05304	0.9
55.05513	11.0
65.03928	2.9
67.05511	11.4
69.07056	2.8
70.56516	0.8
77.52749	1.1
79.05054	1.4
79.05499	17.6
81.07063	7.0
90.64285	1.0
91.05487	64.5
91.57649	1.0
92.05814	1.4
93.07045	10.1
95.04993	1.5
103.05457	4.1
104.06229	1.3
105.07036	100.0
106.07335	1.3
107.08586	2.4
117.07021	10.2
119.04971	1.1
119.08585	51.4
132.09352	2.1
145.10115	4.0
147.11699	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02386	0.4
53.03946	1.1
55.01869	0.7
55.05513	2.9
56.96564	0.4
59.15036	0.3
63.02355	0.3
64.92805	0.8
65.03945	8.0
67.05505	1.2
68.99786	0.4
69.03427	2.9
69.07072	0.9
71.05006	0.5
71.55589	0.3
71.55988	0.4
73.02926	0.4
77.03926	1.4
78.04688	0.5
79.05496	2.9
81.07057	1.0
83.04988	0.7
83.06912	0.6
84.08118	0.4
85.02899	1.1
91.05484	53.2
92.05811	1.1
93.03439	0.4
93.07035	1.0
95.04958	0.8
101.07955	1.4
102.04681	0.4
103.05480	1.8
104.06241	0.9
105.03406	2.4
105.04512	0.4
105.07034	23.3
106.07343	0.6
107.04963	0.9
107.08607	0.5
115.05429	0.5
117.07022	4.4
118.04137	1.2
119.04955	15.7
119.08583	23.0
123.96452	1.3
128.06248	0.5
129.03407	0.8
129.07021	0.9
131.04965	0.7
131.08517	0.4
132.05701	1.5
132.09360	1.0
133.02858	17.4
145.10135	1.5
147.04416	100.0
147.08049	6.9
147.11690	11.2
148.05209	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	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03920	1.9
55.05284	0.9
55.05512	8.7
65.03925	2.6
67.05497	2.3
69.07047	1.3
70.08320	1.4
70.08671	3.3
79.05492	5.0
81.07073	1.3
91.05485	50.1
93.07066	4.4
95.04968	1.2
103.05476	5.3
104.06265	1.6
105.07034	60.9
106.04219	1.0
107.08572	9.8
115.05441	2.5
116.06226	3.5
117.07024	20.3
119.04932	12.1
119.08583	100.0
120.08916	2.5
129.07007	1.7
130.07820	2.4
131.08617	4.2
132.09370	7.5
133.09811	0.9
143.08585	1.1
145.10138	12.4
147.04404	5.1
147.08034	2.3
147.11691	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	146.0602
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
55.05513	1.5
56.96581	0.7
63.02372	0.5
65.03944	4.2
66.77789	0.6
69.03429	0.9
70.89612	1.2
72.05346	0.5
72.08158	1.9
74.02457	0.6
82.06583	11.6
83.04993	0.6
91.05486	52.5
99.04480	0.7
100.04798	1.4
100.07627	15.5
105.07034	5.1
117.05804	3.7
117.07047	1.0
118.06551	100.0
119.04955	17.5
119.06853	2.5
119.08589	5.8
128.04977	3.1
128.07135	0.6
135.78355	0.5
143.82755	0.5
146.06015	18.5
146.07098	0.9
146.07925	3.0
146.10455	1.1
147.04422	20.1
147.06279	0.8
147.08104	0.9
147.09143	0.6
147.11668	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	146.0601
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
53.03939	0.6
56.96567	1.5
57.03442	0.7
57.88747	0.5
65.03951	1.0
69.82972	0.6
71.46041	1.1
72.08163	4.2
82.06583	6.7
84.08169	1.0
90.72478	0.6
91.05482	37.2
98.97618	0.7
100.04767	0.7
100.07627	7.6
103.05486	1.5
112.61868	0.6
117.05772	7.1
118.06546	100.0
119.04955	7.7
119.06876	1.7
119.08573	0.7
119.97361	0.8
128.04971	29.7
128.97849	0.8
129.04504	0.8
146.06012	60.1
146.08047	2.4
147.04401	2.5
147.06343	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
53.69984	0.8
55.01862	2.9
55.05507	1.4
56.96574	1.5
57.03430	2.6
57.39655	0.8
58.06583	1.0
62.47477	0.8
65.03931	1.3
67.05515	5.3
69.03426	4.1
71.01338	1.0
71.04654	0.9
71.05004	14.3
71.58240	1.4
72.08155	1.1
74.09679	0.8
79.05487	3.4
80.31430	0.8
81.03418	5.6
82.06581	4.2
83.01320	1.0
83.04990	0.9
85.02892	6.2
85.05317	1.2
89.03913	6.0
90.67435	0.8
91.05488	27.7
97.02886	1.7
99.04463	26.4
100.07646	6.5
103.05471	3.9
105.07040	65.5
115.05457	16.9
116.06230	3.4
117.03347	2.0
117.07030	45.5
118.06536	3.6
118.07303	1.2
121.01706	0.8
121.61494	0.9
127.03954	5.4
127.05473	0.9
128.05289	1.2
128.06219	7.9
129.07016	9.9
130.07800	46.2
143.08559	8.9
145.03944	1.2
145.05013	1.8
145.06493	6.8
145.07660	2.4
145.10132	100.0
146.06032	6.3
146.08165	1.1
146.10445	2.6
155.06058	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22589	0.6
53.03954	1.2
66.18341	0.6
67.05531	0.7
70.73166	2.1
71.04976	0.9
72.14825	0.7
79.05480	2.1
79.75278	0.6
91.05489	13.5
99.04475	1.1
103.05473	2.5
105.07038	77.8
106.07390	1.4
115.05469	5.9
116.06240	1.7
117.07023	25.7
128.06224	5.4
129.07033	7.7
130.07796	45.4
131.08089	0.8
143.08577	10.0
145.10129	100.0
146.10481	3.4
147.08052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24298	0.9
53.03925	0.9
56.53627	0.9
58.94325	0.8
69.65556	5.8
79.05497	2.1
91.05484	10.6
99.04478	0.9
100.07554	0.9
101.44644	0.8
103.05476	3.4
105.07037	70.8
115.05444	6.1
116.06216	1.5
117.07026	23.3
128.06224	6.6
129.07027	9.1
130.07800	35.0
143.08566	9.2
145.10132	100.0
146.10501	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	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.1
53.03955	5.0
53.32332	0.9
55.01870	2.7
56.09986	0.9
56.96547	2.3
57.03432	2.5
58.06589	2.3
61.64220	0.9
65.03950	1.1
67.05511	6.7
69.03427	4.0
71.01361	1.7
71.04999	13.3
71.57291	1.5
72.08155	1.8
74.83376	0.9
76.73533	0.9
79.05477	4.4
81.03420	6.5
82.06583	5.5
85.02915	6.1
89.03911	4.2
91.05487	29.9
91.83558	0.9
97.02875	2.2
99.04465	31.1
100.07613	9.3
103.05464	3.9
105.07038	69.2
106.07362	1.2
110.65814	0.9
113.07951	1.3
115.05466	19.7
116.06254	3.8
117.03374	3.9
117.07026	42.8
118.06540	6.8
118.07340	2.3
121.00837	0.9
127.03940	4.9
128.05290	1.3
128.06227	7.4
129.07021	14.1
130.07794	52.1
131.08154	1.6
143.08557	8.6
145.04944	2.1
145.06490	7.8
145.10130	100.0
146.06020	8.2
146.08153	1.6
146.10435	3.4
155.06032	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	144.102
Annotation	(E)-4-(Trimethylammonio)but-2-enoate
Peak:m/z	Relative Intensity
53.03912	1.4
55.01872	2.0
55.05505	3.5
56.05048	8.5
56.49923	1.2
56.96570	42.6
57.03428	4.9
58.06584	6.1
60.95840	5.3
61.02910	4.8
67.95937	1.3
68.00272	2.1
68.05009	1.4
70.00523	5.5
70.00916	2.9
70.06245	1.5
70.06599	19.6
70.98121	8.6
71.04978	4.1
71.95255	2.5
73.02917	2.0
74.00301	1.6
75.01041	3.4
77.00791	2.8
82.93416	1.2
84.08150	100.0
84.96030	3.8
85.02877	2.0
85.06560	1.6
85.08460	3.1
85.08933	36.4
88.99174	2.1
89.00761	2.7
96.08125	2.0
98.01267	1.8
98.09699	71.4
98.97593	24.6
99.04461	9.2
99.10520	1.7
100.11256	15.4
102.09187	26.5
102.96880	18.3
110.01287	2.8
110.97579	3.9
111.00199	1.5
116.98624	7.1
119.01872	1.4
120.01984	2.3
120.97887	7.7
124.95477	3.8
126.09180	13.4
128.98552	3.1
129.07890	3.4
138.98929	2.9
142.96548	3.0
144.10204	78.9
144.13832	4.8
146.99670	1.8
158.99678	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.3
55.05519	15.8
56.96566	1.7
57.03428	2.5
57.07069	1.2
57.98883	1.0
59.04996	3.5
59.06665	1.0
64.81132	1.2
66.38704	1.0
67.01861	1.3
67.05512	14.8
68.99772	1.6
69.03433	17.3
69.07056	1.3
70.06579	4.2
71.04991	3.7
71.12162	2.4
79.05493	6.7
81.04527	2.3
81.07067	9.8
83.01326	1.5
83.04990	18.4
83.08607	2.3
84.08131	4.1
85.06546	11.7
87.04467	3.1
91.05479	2.1
94.25341	1.0
95.08619	1.5
97.02905	11.8
97.06532	2.7
97.10176	1.4
98.06039	1.9
98.09702	4.8
99.08054	1.3
101.00877	3.6
101.95023	1.9
107.08591	4.2
112.07614	6.1
115.05463	1.5
117.07041	2.2
119.01925	6.8
125.02366	14.2
125.09634	18.2
128.06216	10.7
132.56432	1.2
136.15948	1.0
139.01904	1.3
143.03407	100.0
143.07294	6.2
143.08435	1.9
143.10590	2.1
144.03734	2.0
144.04774	3.2
144.06552	1.5
144.08096	10.6
144.10204	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	143.9949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06982	0.8
53.19327	0.9
56.96557	3.7
60.95858	23.7
71.56522	0.9
75.94556	6.6
98.97590	1.1
101.00903	1.7
102.00951	9.3
102.96877	100.0
103.00639	5.9
119.01893	5.3
120.02016	19.7
120.48830	1.1
120.97915	48.4
121.01668	11.6
129.49455	1.0
135.97754	1.1
138.03069	4.1
138.49890	4.0
138.98940	12.9
139.02673	2.1
143.99442	1.1
144.03249	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	3.8
60.95860	21.9
70.40040	2.8
74.14833	0.8
75.94551	5.8
78.31589	0.7
83.99895	0.8
97.75818	0.7
98.06068	1.0
98.97548	0.8
99.04449	1.6
101.00905	2.2
102.00954	9.1
102.96877	100.0
103.00648	5.3
119.01940	4.6
120.02010	26.5
120.97919	48.6
121.01677	15.5
121.02489	0.7
138.03096	5.6
138.98955	14.0
139.02742	2.2
143.99496	1.7
144.03322	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	144.102
Annotation	(E)-4-(Trimethylammonio)but-2-enoate
Peak:m/z	Relative Intensity
52.32195	0.9
53.03936	1.4
55.05508	1.2
56.05036	7.4
56.96561	2.1
57.03415	1.8
58.06599	9.1
67.16472	1.0
68.05006	1.4
69.05800	1.8
70.06594	17.1
71.04990	5.4
71.07226	1.8
81.03412	1.5
84.08147	100.0
85.05266	1.4
85.08516	1.7
85.08929	32.6
96.08139	1.7
98.05997	1.5
98.09701	63.0
98.21416	1.2
99.04453	9.9
99.09975	1.6
99.10526	1.7
100.11264	12.3
102.09186	22.3
102.96873	1.6
112.61809	1.0
120.75131	1.1
126.09162	12.8
129.07909	2.5
137.84029	1.2
144.10205	91.1
144.13892	2.0
145.10600	2.1
150.16290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0864
Annotation	Hypoglycine
Peak:m/z	Relative Intensity
51.02373	0.9
53.03952	7.0
53.10743	0.9
53.22408	0.9
55.01861	2.8
55.05520	2.4
56.05034	1.4
56.96541	1.3
57.03443	23.5
57.27314	0.9
58.06595	2.4
59.16874	0.9
65.03931	1.5
67.05492	3.6
67.58418	0.8
68.05029	1.9
69.03420	3.1
69.07077	13.0
69.82877	4.7
70.06580	2.6
71.08627	2.9
78.01692	0.9
79.05501	68.7
79.57668	1.0
81.05785	2.2
81.07064	37.1
82.06570	2.9
83.04973	2.6
83.23050	1.0
84.08134	3.9
86.06040	2.7
91.32033	0.9
95.04948	1.6
96.08144	5.6
97.02896	2.7
97.06538	100.0
98.06850	1.5
98.09683	1.3
98.20789	1.8
100.97205	1.6
103.76704	0.9
111.04465	1.3
113.22340	1.0
114.09151	2.4
115.05447	1.9
118.99028	1.0
119.01920	2.2
124.07605	6.9
125.02328	2.8
125.05999	96.4
126.06313	2.1
128.06154	1.2
142.08646	23.4
143.03415	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	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	19.4
57.67297	0.4
62.30730	0.4
62.83862	0.4
66.91274	0.4
70.78383	1.1
71.95274	5.6
98.97591	100.0
115.69292	0.4
116.98631	41.6
118.25872	0.5
134.99658	10.5
140.00209	1.2
153.00749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	21.0
58.13834	0.5
68.78481	0.4
70.09425	1.8
70.09841	0.8
71.95262	5.7
78.32436	0.4
79.18793	0.4
98.20815	0.8
98.97589	100.0
99.97904	0.5
116.98632	40.9
134.99663	10.4
135.00659	0.8
140.00166	1.2
150.94652	0.5
153.00778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03939	0.7
56.96566	2.7
57.03416	0.4
57.62582	0.2
65.03946	1.3
67.05512	1.3
70.25890	0.6
70.98108	0.2
78.03447	0.9
79.04212	0.3
81.03407	0.7
85.45490	0.2
92.05010	8.3
93.05795	0.9
93.07066	0.2
94.06570	20.4
95.06935	0.2
96.01632	0.2
96.04498	3.3
97.96806	0.7
98.21507	0.2
98.97607	1.3
110.06046	11.4
110.97567	0.4
114.40251	0.2
115.02419	0.2
116.25304	0.2
121.06517	0.9
125.04752	0.2
126.02547	0.2
133.03458	0.5
136.04012	0.4
138.05505	100.0
139.05888	1.6
140.35815	0.2
146.63043	0.2
154.04976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
56.96566	2.7
57.03416	0.4
57.62582	0.2
65.03946	1.3
67.05512	1.3
70.25890	0.6
70.98108	0.2
78.03447	0.9
79.04212	0.3
81.03407	0.7
85.45490	0.2
92.05010	8.3
93.05795	0.9
93.07066	0.2
94.06570	20.4
95.06935	0.2
96.01632	0.2
96.04498	3.3
97.96806	0.7
98.21507	0.2
98.97607	1.3
110.06046	11.4
110.97567	0.4
114.40251	0.2
115.02419	0.2
116.25304	0.2
121.06517	0.9
125.04752	0.2
126.02547	0.2
133.03458	0.5
136.04012	0.4
138.05505	100.0
139.05888	1.6
140.35815	0.2
146.63043	0.2
154.04976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03954	7.4
53.33791	1.4
55.01857	2.1
55.05519	10.6
56.54805	1.3
56.96572	1.6
57.07071	12.3
63.03195	1.3
65.03925	5.5
66.04723	7.3
67.05508	54.7
69.03426	3.1
69.07071	9.2
69.34333	2.7
69.34742	9.9
75.04218	1.2
77.03910	1.5
79.05117	1.7
79.05504	19.0
80.23656	1.4
81.03416	4.9
81.07062	89.4
82.86195	1.2
91.05488	39.9
93.07053	13.5
94.04196	43.7
95.04990	8.5
95.08613	100.0
96.08953	2.9
98.21517	3.1
103.00369	1.4
105.03373	2.0
107.04948	6.1
107.08585	3.4
109.06529	12.1
109.10155	19.6
116.04925	1.3
119.04938	9.6
119.08594	4.7
122.02311	1.5
122.03660	55.4
122.07301	12.0
137.02365	5.3
137.05972	90.4
137.09610	24.4
137.13271	9.5
138.01750	1.4
138.05507	5.5
138.09119	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	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01868	3.1
55.05498	3.7
57.07090	1.8
65.03935	3.5
66.04723	2.5
67.05509	36.0
68.99755	0.9
69.03418	2.1
69.07075	1.8
69.47886	4.3
69.48298	1.5
77.03933	1.2
77.93133	0.8
79.05495	9.9
81.03422	3.5
81.07060	25.3
91.05490	18.8
93.07050	6.7
94.04192	22.9
94.06606	0.9
94.07832	1.8
95.04987	6.3
95.08610	23.3
102.86823	0.7
103.05465	2.4
104.06264	1.6
107.04963	25.2
107.08591	3.0
109.06513	5.1
109.10157	34.5
110.10475	1.3
117.07012	2.7
119.04942	1.4
119.06063	0.8
119.08589	14.1
121.06516	7.6
122.03660	27.2
122.07292	100.0
123.07601	1.8
125.05991	0.9
135.08038	4.0
137.02417	4.4
137.05977	43.5
137.09622	83.7
137.13248	1.4
138.05457	1.3
138.09100	1.6
138.10027	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
50.22107	0.7
53.03941	1.6
55.05512	6.0
57.07076	10.1
57.68215	0.6
61.41645	0.6
65.03928	1.4
67.05510	26.9
68.29825	0.9
69.07070	6.2
71.17847	1.2
71.35959	0.6
79.05495	9.8
80.06271	0.8
81.03420	1.1
81.07061	68.8
82.07391	1.0
82.98550	0.8
91.05483	3.8
93.07048	7.1
94.04194	1.6
95.04966	1.4
95.08611	100.0
96.08960	1.4
107.08595	1.2
109.06515	1.7
109.10155	7.4
109.14044	0.7
116.34797	0.6
119.04894	1.0
122.03665	1.3
122.07320	1.7
125.65289	0.6
130.96358	0.7
137.02429	1.8
137.05927	3.9
137.09613	2.0
137.13272	9.3
138.05576	1.1
152.13205	0.8
154.94547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03952	7.6
53.76370	1.1
55.01873	8.5
55.05519	8.8
57.03421	1.2
57.07080	2.7
57.36757	1.2
65.03941	8.2
66.04707	1.9
67.01872	1.3
67.05510	72.8
69.03426	4.6
69.07052	5.3
69.38979	1.2
69.69991	6.2
79.05503	17.4
80.06259	1.5
81.03418	7.5
81.07063	44.3
83.04998	2.7
89.99209	1.3
91.05488	70.8
92.04967	1.2
92.05799	1.6
93.07059	11.0
94.04198	17.1
94.06554	2.1
95.04973	18.1
95.08614	30.5
96.04471	1.2
103.05473	1.6
104.06274	1.7
107.04963	28.1
107.08609	5.2
108.05775	2.6
109.05777	2.4
109.06528	47.1
109.10164	56.0
110.06034	1.9
117.07003	3.5
119.04953	11.4
119.06051	2.6
119.08584	19.9
121.06493	10.3
122.03663	19.8
122.07295	94.3
129.61008	1.3
135.08076	4.5
137.02402	4.9
137.05972	52.7
137.09624	100.0
138.05498	5.4
138.09064	1.5
138.10013	2.4
142.21808	1.2
150.25880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03941	4.4
55.01869	2.0
55.05498	3.3
56.96561	0.8
57.03473	0.9
65.03950	3.1
66.04720	3.3
66.33565	0.8
67.05508	33.8
67.61458	1.0
69.03416	1.8
69.07075	1.6
69.35413	1.1
69.35813	5.7
77.03940	1.4
79.05494	9.9
81.03419	3.6
81.07061	21.4
91.05488	24.6
93.07047	6.1
94.04191	21.8
94.07857	1.0
95.04995	3.8
95.08616	22.7
98.00968	0.7
98.10849	0.8
103.05489	2.0
104.06258	1.2
105.04549	0.9
107.04958	25.4
107.08604	1.9
108.93741	0.9
109.06522	3.7
109.10162	34.5
117.07000	1.5
119.04963	2.0
119.08581	14.4
121.06517	8.9
122.03664	27.3
122.07291	100.0
123.07598	1.7
128.65494	0.8
135.08067	3.4
137.02394	8.5
137.05972	43.3
137.09622	86.8
137.13196	1.7
138.05492	2.6
138.09972	2.6
145.92542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.6
53.76370	1.1
55.01873	8.5
55.05519	8.8
57.03421	1.2
57.07080	2.7
57.36757	1.2
65.03941	8.2
66.04707	1.9
67.01872	1.3
67.05510	72.8
69.03426	4.6
69.07052	5.3
69.38979	1.2
69.69991	6.2
79.05503	17.4
80.06259	1.5
81.03418	7.5
81.07063	44.3
83.04998	2.7
89.99209	1.3
91.05488	70.8
92.04967	1.2
92.05799	1.6
93.07059	11.0
94.04198	17.1
94.06554	2.1
95.04973	18.1
95.08614	30.5
96.04471	1.2
103.05473	1.6
104.06274	1.7
107.04963	28.1
107.08609	5.2
108.05775	2.6
109.05777	2.4
109.06528	47.1
109.10164	56.0
110.06034	1.9
117.07003	3.5
119.04953	11.4
119.06051	2.6
119.08584	19.9
121.06493	10.3
122.03663	19.8
122.07295	94.3
129.61008	1.3
135.08076	4.5
137.02402	4.9
137.05972	52.7
137.09624	100.0
138.05498	5.4
138.09064	1.5
138.10013	2.4
142.21808	1.2
150.25880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.20263	1.1
52.62047	1.5
53.03946	8.0
55.01880	64.4
55.05502	4.3
57.07074	1.8
65.03946	5.5
66.04722	5.4
66.08896	1.1
67.05170	1.7
67.05512	31.2
69.03433	2.6
69.07068	2.9
69.49809	2.4
69.50220	6.3
77.03942	2.5
79.05500	37.5
81.03404	4.0
81.07065	84.6
87.82830	1.1
90.50263	1.2
91.05495	21.8
92.05030	1.6
93.07069	6.8
93.66176	1.0
94.02922	1.7
94.03592	2.1
94.04198	40.4
95.04969	10.5
95.08611	25.0
96.04510	2.9
96.08147	1.2
101.60238	1.2
105.04550	1.7
107.04969	3.7
107.08625	1.6
109.02934	1.3
109.06543	18.0
109.10171	11.9
110.06071	1.9
114.13377	1.1
119.04938	3.5
119.08578	3.3
120.66698	1.2
121.06521	1.5
122.03663	55.0
122.07278	6.7
133.67776	1.1
137.02493	6.7
137.05986	100.0
137.09613	23.1
137.13300	1.4
138.05504	15.6
138.06378	1.9
138.09135	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.76373	0.7
51.02382	1.0
53.03954	10.4
54.04720	1.0
55.01862	1.0
56.96548	0.7
59.15588	0.6
61.35622	0.8
65.03932	2.8
66.04728	5.5
67.05497	2.6
68.99793	1.0
72.78413	0.7
73.63800	0.6
77.03928	2.5
78.16222	0.6
79.05500	39.2
81.03413	2.2
81.07060	19.0
82.04213	6.7
85.69957	0.7
87.99723	0.7
91.05490	2.4
92.02637	0.8
94.04195	17.3
95.04972	6.7
95.08603	3.1
105.03400	2.1
105.04515	2.8
107.04960	2.8
109.06528	55.5
109.10061	0.9
110.03675	4.3
110.06820	0.9
119.04958	0.7
122.03642	1.7
122.07322	1.0
137.02539	1.8
137.05983	100.0
138.03134	4.2
138.06337	2.0
159.30518	0.7
159.70831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02393	0.7
51.98158	0.3
52.88386	0.3
53.03945	2.4
55.01871	1.2
55.05497	0.5
56.96569	0.3
58.34936	0.3
59.94027	0.3
65.03934	2.4
65.37597	0.3
66.04727	7.4
67.05509	2.4
69.03429	0.5
69.07078	0.3
71.25855	0.4
71.82547	0.3
77.03933	0.6
79.05494	5.9
79.96358	0.3
81.03407	0.4
81.07065	4.2
82.06573	0.3
87.04514	0.2
87.35814	0.3
91.05491	6.4
92.05896	0.3
93.03412	0.5
93.07056	0.7
94.04190	53.2
95.04452	0.6
95.05013	1.9
95.07344	0.5
95.08617	3.4
105.03410	0.6
105.04516	0.5
107.04951	2.4
107.08657	0.3
109.06523	2.5
109.10172	0.7
110.06055	0.6
111.93115	0.3
115.46098	0.4
119.04948	0.4
120.04490	0.4
121.65857	0.3
122.03653	68.6
123.04013	0.9
135.04430	0.9
137.02429	1.4
137.05977	100.0
137.09470	1.7
138.05460	0.8
138.06331	1.9
138.09142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.02464	0.9
51.02373	1.1
53.03954	1.4
55.01865	1.2
57.25467	1.0
65.03930	1.6
66.04726	8.2
69.65745	1.4
69.66153	4.3
79.05490	5.7
81.07049	2.5
91.05479	4.6
94.04191	55.1
95.04987	1.2
102.51215	0.8
107.04956	1.8
109.06484	1.0
122.03651	76.9
123.03998	1.7
123.76814	0.9
135.04509	0.9
137.05983	100.0
138.06311	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03948	8.0
55.01873	64.8
55.05508	5.7
57.07070	2.0
62.95447	0.8
65.03944	5.2
66.04713	3.9
66.05024	0.8
67.05506	41.1
69.03416	3.9
69.07057	3.0
71.05580	2.0
79.05495	43.6
81.03420	4.8
81.07058	100.0
82.07358	1.3
91.05484	25.0
92.05807	1.0
93.07048	9.1
94.04189	29.3
95.04975	11.6
95.08611	28.2
105.04493	1.5
107.04967	7.6
107.08586	2.8
109.06528	24.3
109.10157	24.1
110.06076	1.0
110.09701	1.1
117.06996	1.2
119.04914	2.2
119.08595	7.1
121.06490	2.3
122.03653	42.5
122.07298	22.1
137.02423	6.8
137.05977	80.0
137.09613	35.1
137.13208	1.4
138.05481	2.3
138.06396	1.3
138.09131	2.4
155.48566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.9
55.01869	2.0
55.05514	17.2
57.07077	1.5
59.23028	1.0
61.52282	0.9
65.03943	4.0
67.05514	5.5
69.07075	5.6
69.48251	7.9
77.03947	2.1
79.05054	2.2
79.05502	34.6
79.05959	2.0
81.07064	6.9
91.05489	60.8
93.07054	75.9
94.07829	3.0
95.04974	8.8
103.05438	1.8
105.04530	3.6
105.07043	25.4
107.04977	2.9
107.08605	100.0
109.05891	0.9
109.06535	6.7
115.05470	4.2
117.07029	5.0
119.06073	5.2
119.08588	14.6
120.09385	5.9
133.10133	1.6
135.04439	3.2
135.08069	7.9
135.10689	2.1
135.11705	29.0
136.02171	2.4
136.06189	3.2
136.07642	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02356	1.7
52.87581	1.4
53.03959	11.1
55.05511	26.0
60.90848	1.5
65.03935	2.9
67.05509	7.8
69.07084	12.9
70.86105	1.5
71.02035	3.5
75.90877	1.6
78.91063	1.4
79.05502	52.5
81.07066	11.4
82.05741	1.4
85.42178	1.5
91.05486	58.1
93.07052	99.2
94.07289	1.5
94.07822	4.3
95.04988	9.3
105.04528	5.3
105.07027	21.0
107.08602	100.0
109.06535	5.7
115.05453	4.7
117.07020	2.7
119.06102	4.1
119.08581	5.8
120.09364	2.8
135.04436	2.9
135.08061	6.5
135.11717	25.7
136.02223	3.3
136.06236	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	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.6
55.05260	2.2
55.05515	33.7
67.05515	14.9
69.07076	14.4
70.59978	1.6
70.60291	2.6
77.03903	2.4
79.05498	56.8
81.07067	13.9
91.05485	50.9
93.07050	100.0
94.07838	2.7
95.04983	10.2
98.20761	1.8
105.04517	3.9
105.07036	14.4
107.08600	83.8
109.06522	3.0
119.06029	2.1
119.08582	5.1
120.09367	2.5
135.04431	1.8
135.11703	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	136.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
53.43835	0.7
55.01857	0.8
56.14345	0.7
56.96568	6.7
65.03922	2.3
67.05495	1.5
68.05016	1.3
69.03433	4.7
69.61723	4.7
73.59473	0.9
79.05473	1.5
80.05024	4.8
80.05836	1.2
81.03412	1.5
81.07053	3.3
88.01787	0.7
89.86166	0.7
91.05486	9.7
93.05798	1.9
93.07047	2.8
94.04070	3.9
94.06567	1.6
94.07397	0.8
94.90028	4.7
94.91776	0.8
95.04974	3.4
95.08604	0.9
98.20782	0.8
98.97577	1.9
105.04531	0.8
106.06606	0.8
107.05005	0.8
107.07355	1.2
108.04491	2.9
108.08123	3.3
108.08939	1.9
109.01108	10.0
109.05133	0.8
109.06510	1.7
109.59394	0.9
112.91047	1.4
118.06565	2.8
119.03564	9.0
131.01926	2.4
136.02176	100.0
136.03929	7.3
136.05116	2.4
136.06195	66.1
136.07574	15.7
136.11237	2.0
137.02467	1.4
137.04604	4.3
137.05969	3.2
149.26158	0.7
153.93724	1.2
154.05017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03960	8.8
55.05515	22.7
57.07078	1.5
60.78146	1.2
61.90872	1.1
63.54230	1.1
65.03923	2.7
67.05515	14.5
69.07077	11.6
70.60188	2.9
71.90878	1.2
77.03922	2.6
79.05502	62.5
81.07060	21.7
91.05488	46.9
93.07054	100.0
94.07819	3.0
95.04977	9.2
98.21452	1.4
102.63036	1.2
105.04525	4.4
105.07036	12.7
107.08604	82.0
108.08907	1.4
109.06513	3.8
119.06076	2.5
119.08600	3.4
120.09384	1.9
135.11714	37.5
136.06201	2.4
136.12038	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03947	7.3
55.05513	11.4
55.57908	0.8
57.07069	1.6
65.03935	3.5
67.05514	4.5
68.97861	1.0
69.03418	1.1
69.07069	5.3
71.55840	1.1
73.04274	0.8
77.03919	2.0
79.05499	23.6
81.07072	4.9
86.20626	0.8
91.05486	60.2
93.07050	64.8
94.07857	1.3
95.04967	7.5
95.08588	1.4
105.04513	3.3
105.07039	28.8
106.04169	1.4
106.07878	0.8
107.04977	3.0
107.08600	100.0
108.08903	1.2
109.06528	7.3
115.05460	7.3
117.07022	4.5
119.03539	1.5
119.06068	5.5
119.08575	12.3
120.09371	5.1
133.10098	1.2
135.04431	3.6
135.08061	8.7
135.11699	38.2
136.02144	5.5
136.06210	8.1
136.07649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.65499	0.8
53.03945	9.0
53.14948	0.8
55.01870	1.8
55.05511	16.9
57.07072	1.3
65.03931	3.8
67.05511	5.1
69.07072	6.0
71.08074	1.3
71.08413	1.5
73.07914	0.9
77.03942	1.6
79.05493	36.7
79.33706	0.8
81.03413	1.0
81.06601	1.3
81.07040	6.8
88.71869	0.9
91.05482	64.6
93.07047	74.9
94.07841	1.5
95.04976	7.9
103.05490	1.3
105.04532	5.5
105.07033	24.5
107.04939	3.3
107.08595	100.0
108.08110	1.0
108.08934	2.0
109.06507	6.9
115.05484	2.7
117.07018	4.8
119.06064	3.3
119.08582	15.4
120.09405	5.7
133.10150	1.7
135.04437	2.3
135.08061	7.5
135.10678	2.2
135.11693	30.6
136.02158	2.5
136.06160	2.4
136.07597	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03949	9.8
55.01873	1.6
55.05260	1.7
55.05513	26.5
65.03934	3.9
65.99321	0.9
67.05231	0.8
67.05514	10.7
69.07072	13.7
70.69239	1.4
70.69596	2.2
77.03930	3.7
79.05499	53.1
81.03423	1.2
81.07067	10.5
90.54181	0.9
91.05486	62.6
93.07049	97.7
94.07867	5.0
95.04976	10.7
95.08599	1.2
96.60715	1.0
102.28239	0.9
103.05435	1.2
105.04511	4.0
105.07037	22.2
106.04209	1.1
106.07850	0.9
107.04958	1.4
107.08601	100.0
108.08952	1.8
109.06528	6.9
115.05502	1.7
117.07005	3.9
119.06087	4.3
119.08574	7.1
120.09375	2.9
121.01599	1.4
123.85189	0.8
133.10112	2.4
135.04417	2.1
135.08066	5.5
135.11703	31.1
136.02170	2.7
136.06203	3.1
149.01260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.20469	0.6
53.03940	2.2
55.01879	1.5
55.05515	2.8
55.37589	0.7
65.03938	7.1
67.05508	5.2
69.07071	1.4
69.53256	1.6
69.53662	3.2
70.35457	0.7
72.70392	0.6
77.03930	1.0
77.87835	0.7
79.05497	27.7
81.07074	2.8
91.05486	100.0
91.44948	0.7
92.05798	1.5
92.06308	1.1
93.07050	19.5
95.04974	4.7
102.04700	0.7
103.05491	0.9
105.04507	1.2
105.07036	27.0
106.04179	0.9
106.07396	0.8
107.04976	3.8
107.08598	60.3
107.76152	0.7
108.08926	0.9
109.06526	11.2
115.05460	75.7
116.06226	2.6
117.07023	37.6
119.03561	0.9
119.06082	6.7
119.08598	2.5
120.05717	3.5
120.09370	1.0
133.06514	1.8
135.04420	2.8
135.08057	79.4
135.11688	6.7
136.02153	4.2
136.06195	7.8
136.08405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02383	1.4
53.03953	7.3
54.32502	0.7
55.01864	2.5
55.05513	1.7
59.13693	0.8
65.03951	6.2
67.05497	3.4
70.69223	0.7
70.69572	1.6
77.03912	1.4
79.05497	26.9
81.03429	1.3
81.07064	1.4
88.04838	0.8
91.05486	100.0
92.02625	4.6
92.05777	1.7
92.06282	1.7
93.07053	11.5
94.04059	0.9
95.04971	8.8
105.04534	4.5
105.07034	29.6
106.38302	0.8
107.04963	5.6
107.08601	54.0
108.08900	1.3
109.01135	0.9
109.06525	10.9
115.05460	72.1
116.06248	2.7
117.07024	37.2
118.07335	1.2
119.03561	1.7
119.06053	9.0
119.08603	1.8
120.05714	4.0
125.06021	3.4
133.06433	1.6
135.04425	19.3
135.05534	4.0
135.08061	76.5
135.11618	3.7
136.02167	6.4
136.06194	15.3
136.08408	1.4
139.06993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.7
53.03949	3.9
55.01868	1.9
55.05517	3.8
56.96566	1.5
60.66210	0.6
65.03944	6.4
67.05508	4.2
69.03422	1.5
69.07070	1.8
69.75601	3.3
77.03956	1.1
78.20624	0.6
79.05493	26.4
81.07059	3.3
86.09794	0.5
89.03922	0.6
91.05483	100.0
92.02621	0.9
92.05766	1.3
92.06268	1.8
93.07050	20.6
95.04974	5.2
102.04677	0.6
102.81267	0.6
103.05474	0.8
104.06221	0.7
105.04544	1.5
105.07037	25.6
106.04180	0.8
106.07388	0.7
107.04957	5.8
107.08596	62.0
108.08212	0.7
108.08916	0.9
109.01115	0.8
109.06529	9.7
112.01017	0.8
115.05460	71.2
116.06315	4.0
117.07021	38.6
119.03577	1.5
119.06084	7.6
119.08560	5.3
120.05779	3.0
120.09374	1.6
124.05167	0.6
125.05975	0.7
133.06505	1.8
135.04477	6.3
135.08061	62.5
135.11671	8.0
136.02167	7.8
136.06184	13.3
136.07524	1.2
136.08459	1.0
137.04659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	3.7
55.05498	3.5
69.44450	6.8
79.05496	9.4
91.05491	27.8
93.07054	5.1
95.04980	1.5
101.84415	0.7
103.05477	5.2
105.07041	84.6
107.08612	1.6
115.05459	9.0
116.06238	1.3
117.07027	9.4
118.07809	10.2
131.08574	13.0
133.06493	2.2
133.10143	100.0
134.10455	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48762	0.5
53.03938	2.6
55.05517	3.7
57.30149	0.6
65.03960	0.8
68.95670	0.6
70.00815	2.4
73.23975	0.6
77.03924	1.1
79.05503	9.0
91.05487	28.9
92.06309	0.7
93.07047	6.6
95.04964	1.7
103.05457	5.3
105.07037	80.7
106.07368	1.4
107.08601	2.3
115.05470	8.0
116.06242	1.8
117.07025	10.6
118.07812	10.7
122.91251	0.6
124.18900	0.7
131.08569	9.7
133.02939	0.7
133.06491	1.8
133.10138	100.0
134.10440	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.58362	0.7
53.03949	3.3
55.05507	4.3
65.03949	1.3
66.91175	0.9
67.05502	1.5
71.08984	1.4
74.55559	0.7
77.03936	1.0
77.04385	0.7
79.05498	10.4
79.24256	0.7
82.81132	0.7
86.55744	0.8
88.85467	0.7
91.05489	44.9
93.07050	7.1
95.04970	2.1
100.00616	0.7
103.05469	6.3
105.07038	100.0
106.07347	1.8
107.08615	1.8
115.05451	9.2
116.06244	2.1
117.07033	8.7
118.07814	9.8
123.07973	0.8
131.08575	10.6
133.06485	2.2
133.10143	97.9
134.10446	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03938	0.8
55.05502	1.0
69.26623	0.3
69.77174	0.3
69.87564	0.9
69.87968	0.8
77.03947	0.4
79.05492	5.1
90.10358	0.3
91.05482	8.6
93.07044	1.2
95.04973	0.5
103.05482	2.2
105.07035	100.0
106.07343	1.5
107.08598	0.3
115.05434	0.6
116.06280	0.4
117.07016	1.4
118.07813	1.0
130.26498	0.3
131.08582	1.5
133.08569	0.5
133.10132	10.3
154.75523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.88979	1.0
53.03946	2.3
55.05501	4.4
67.05510	2.5
69.57806	5.0
69.58215	2.1
77.03926	1.9
79.05494	8.5
79.86306	0.9
90.92443	0.9
91.05488	41.7
93.07057	5.0
95.04979	1.0
103.05458	4.2
105.07038	100.0
106.07382	1.6
107.08582	1.1
115.05444	6.6
116.06257	1.1
117.07044	7.6
118.07825	8.0
129.06978	1.2
131.08592	9.8
133.10138	69.3
134.10474	2.3
145.71918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03944	2.2
55.05516	3.8
63.71946	0.6
65.03936	1.2
67.05511	1.2
69.58694	2.8
69.59100	0.9
79.05492	11.0
91.05486	34.4
93.07054	7.2
95.04983	2.1
98.21513	1.2
101.82875	0.7
103.05476	6.5
105.07035	88.2
106.07394	0.8
107.08598	2.1
115.05468	10.0
116.06229	1.6
117.07019	10.0
118.07817	11.0
122.25211	0.7
129.07028	1.4
131.08588	11.5
133.06509	4.3
133.10135	100.0
134.10461	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
56.96556	0.9
58.98106	0.6
65.03942	1.4
70.08348	3.0
71.04974	0.6
77.03922	0.9
85.08484	2.8
86.09717	0.8
91.05485	100.0
92.05817	1.5
95.04968	1.1
103.05479	19.0
104.05801	1.2
105.07036	1.3
111.68997	0.6
113.07938	2.9
115.05447	7.4
116.06242	30.4
128.06265	1.6
129.07013	15.3
129.34508	0.7
131.04924	12.6
131.06891	8.3
131.08571	88.0
132.08916	1.7
133.06505	0.8
143.06010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	3.1
57.03439	1.8
65.03932	1.2
69.03442	0.7
69.07082	0.7
70.02274	3.3
70.03754	1.0
84.08163	1.8
85.04854	0.8
85.08482	12.1
86.09714	0.9
88.47329	0.6
89.90695	1.0
91.05489	100.0
92.05807	1.7
98.97595	1.8
101.32883	0.8
103.05486	10.5
105.07042	1.6
110.97555	0.6
112.39645	0.8
113.07909	3.4
115.05461	10.1
116.06261	32.9
117.05791	0.8
117.06540	0.7
121.18069	0.7
126.81068	0.7
128.06239	1.6
129.07025	16.0
130.07390	2.5
131.04939	1.4
131.08575	94.4
132.08919	2.6
133.06509	1.3
143.06088	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	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.96566	2.2
58.06597	0.6
58.66957	0.3
62.37793	0.3
65.54046	0.3
69.07069	8.5
70.18647	1.4
70.18993	0.3
71.95252	0.3
72.08143	0.3
78.05760	0.3
86.09708	100.0
87.10049	1.0
98.97580	0.8
102.49548	0.3
116.98608	0.4
127.73647	0.3
132.10184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.84692	0.3
51.02386	0.3
53.03954	2.2
55.05521	2.3
56.96568	0.4
61.04240	0.4
62.18124	0.4
65.03928	0.4
67.05505	0.7
71.14340	0.7
79.05495	6.4
80.12771	0.3
91.05486	18.3
93.07053	3.4
95.04982	1.0
103.05476	3.6
105.07034	100.0
106.07360	1.9
115.05446	3.1
117.07018	6.9
118.07814	6.2
123.07969	0.4
129.06992	0.4
131.08578	5.4
133.02759	0.5
133.06512	1.4
133.10135	34.1
133.30428	0.4
134.06041	0.4
134.10524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
52.07419	0.2
53.03952	4.3
55.01876	0.2
56.96558	0.3
57.03442	0.4
61.70273	0.2
69.03432	0.2
69.09584	0.2
69.28660	1.8
70.03787	0.3
77.03925	1.1
81.03402	0.3
84.63013	0.2
85.08022	0.2
85.08472	1.3
86.09690	0.4
91.05484	22.1
92.05824	0.4
95.04970	3.8
98.97617	0.2
102.04688	1.2
102.59979	0.3
103.05472	100.0
104.05805	1.5
105.04529	1.7
113.07957	1.2
115.05479	1.7
116.06247	6.1
117.06676	0.2
120.34835	0.2
128.06238	0.3
129.07007	3.7
131.04933	10.2
131.08569	19.7
132.08907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02387	0.6
52.44275	0.2
53.03952	3.6
55.01885	0.4
56.96588	0.3
57.03447	0.4
65.03937	0.3
67.05517	0.3
68.88190	0.2
69.03455	0.2
70.36794	0.8
70.49584	0.2
72.08167	0.3
76.61288	0.2
77.03941	1.5
81.03430	0.6
85.08470	1.1
86.09709	0.4
91.05489	26.5
92.05824	0.4
95.04974	3.5
100.33582	0.2
102.04701	1.0
103.05477	100.0
104.05809	1.8
105.04513	2.0
113.07941	1.0
115.05489	2.1
116.06248	6.6
128.06267	0.3
129.07025	4.7
131.04942	10.3
131.08577	24.6
132.03131	0.2
132.08914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03952	4.2
55.01874	0.3
56.96563	0.7
57.03431	0.6
58.01552	0.2
61.02935	0.3
63.02390	0.3
64.88266	0.3
65.03948	0.6
69.03423	0.5
69.21340	2.5
70.03752	0.6
77.03933	1.1
80.87280	0.2
83.04942	0.3
83.80680	0.2
84.08145	0.5
85.08452	1.6
86.09707	0.8
91.05483	41.2
92.05809	0.5
95.04972	4.3
98.20682	0.6
98.97608	0.4
102.04683	0.8
103.05473	100.0
104.05820	2.2
105.04501	2.4
105.07026	0.3
113.07938	2.2
115.05463	3.5
116.06245	10.7
128.06238	0.5
129.07014	6.7
131.04936	9.9
131.08568	33.5
132.05309	0.3
132.08926	0.5
138.61229	0.3
143.06010	0.3
145.06523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1024
Annotation	(S)-Piperidine-2-carboxamide
Peak:m/z	Relative Intensity
56.05029	0.4
56.96571	1.0
57.05825	1.3
58.78868	0.2
67.05505	0.2
67.61778	0.2
70.06583	0.8
71.34763	0.3
72.08161	100.0
73.08517	0.8
75.03288	0.2
81.03436	0.2
84.04494	0.3
84.08150	28.8
85.08472	0.3
98.97600	0.2
101.10787	24.0
102.11118	0.2
127.29517	0.2
129.10242	6.9
130.08630	0.2
145.13509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0652
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03953	1.6
55.01867	0.3
56.05027	0.4
57.03437	0.3
57.07064	0.5
64.07635	0.2
67.05503	0.5
69.03430	8.2
69.07063	0.7
69.35638	0.9
69.36066	1.2
70.06598	1.4
71.04984	0.3
72.08160	0.3
72.68157	0.2
73.08497	0.3
74.06069	1.0
74.09718	0.4
77.03922	0.3
77.41744	0.2
79.69457	0.2
81.03411	0.3
82.06564	0.8
84.04508	3.4
84.08144	24.2
85.08469	0.3
91.05482	3.4
95.04966	1.5
95.96907	0.2
98.81316	0.2
102.04652	0.6
103.05470	13.2
105.04498	0.6
110.83881	0.2
112.07607	20.4
113.07919	0.3
114.90247	0.2
115.05459	0.9
116.06257	1.4
117.96156	0.2
127.88078	0.2
128.04991	1.9
129.07080	1.1
130.06529	100.0
130.15962	0.7
131.04947	2.0
131.06912	1.7
131.08537	3.4
146.06036	1.5
149.47546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
51.02394	0.4
53.03949	3.4
55.01874	0.2
56.96563	0.3
57.03439	0.2
63.43612	0.1
64.80120	0.1
69.03431	0.2
69.15589	0.1
69.34457	1.0
69.34869	0.3
70.03760	0.3
77.03923	1.1
77.56036	0.2
81.03418	0.4
85.08473	0.4
86.09695	0.2
91.05508	0.9
95.04969	4.1
98.01286	0.2
98.20739	0.2
102.04715	1.1
103.05473	100.0
104.05812	1.8
105.04511	2.0
113.07958	0.7
116.06168	0.2
129.07025	0.2
131.04935	8.8
131.08618	0.6
132.05284	0.1
137.87086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.3
51.02381	0.3
53.03953	4.0
55.01869	0.4
56.96567	0.7
57.03446	0.4
57.07080	0.2
58.07421	0.4
58.09029	0.2
59.73301	0.1
66.07519	0.2
67.05508	0.2
69.03442	0.4
70.03768	0.4
71.49223	0.3
72.08165	0.2
73.06557	0.4
75.10075	0.2
76.84216	0.2
77.03936	1.3
79.55271	0.1
81.03434	0.4
84.08162	0.3
84.66991	0.1
85.02943	0.2
85.04822	0.2
85.08464	1.1
86.09684	0.3
91.05483	3.4
95.04976	4.3
98.97630	0.3
102.04709	1.2
103.05476	100.0
104.05095	0.2
104.05801	2.0
105.04525	1.8
113.07943	1.4
116.06253	1.1
129.07013	0.5
131.04935	10.0
131.08543	2.8
131.16263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0393
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
51.83702	0.2
53.03734	0.3
53.03952	3.4
55.01876	1.5
55.05505	0.3
56.96551	0.5
57.03442	0.3
67.01868	0.5
67.05496	0.3
68.99798	0.4
69.03439	0.5
69.76142	0.2
70.09077	0.6
70.09476	0.4
71.01347	0.7
71.04993	0.9
79.05486	0.3
81.03428	3.9
81.07048	0.6
82.02957	0.3
85.06521	0.4
109.02891	6.2
110.02463	0.3
119.30387	0.3
127.03928	100.0
128.04276	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11584	0.2
53.93472	0.2
56.05024	0.2
56.96567	0.6
57.05818	1.3
58.32734	0.2
59.34187	0.2
69.03450	0.3
70.06599	0.6
70.98123	0.3
71.56787	0.3
72.08155	100.0
73.08497	0.8
76.60147	0.2
84.08143	26.8
85.08489	0.3
97.96823	0.3
101.10780	21.8
108.07911	0.2
112.57493	0.3
129.10245	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	0.6
71.25642	0.2
71.25992	0.3
82.01447	0.5
82.99844	4.2
83.01508	1.6
84.01201	0.3
84.27460	0.3
100.02497	1.3
101.00888	40.6
101.02555	3.8
102.00990	0.9
102.02247	0.3
110.01329	0.3
111.00446	0.3
118.03551	0.4
119.01925	100.0
120.01995	2.1
121.02370	0.3
122.88412	0.2
124.02470	0.9
133.03490	0.5
137.02963	18.7
138.03043	0.4
142.03508	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	124.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.2
55.05511	5.4
56.05029	1.0
56.19680	0.7
65.03919	1.7
67.05500	1.9
68.05032	5.4
68.05843	1.1
69.03419	1.1
69.07073	2.6
70.07364	0.9
71.48705	1.3
77.03929	1.0
77.91666	0.7
78.03462	0.7
79.05495	50.8
80.05023	14.7
80.05803	1.8
81.03436	1.3
81.05801	57.6
81.07056	15.7
82.06574	6.9
82.07378	4.3
83.04984	1.2
83.32161	0.7
94.06564	7.7
95.04971	3.3
96.04510	7.4
96.08136	72.5
96.20171	0.8
97.02883	1.9
97.08515	1.0
101.00890	6.2
101.02573	1.4
105.04531	1.3
106.06564	24.2
107.04953	1.1
108.06026	0.8
109.05244	2.7
112.03954	3.7
113.24252	0.8
119.01931	16.5
124.03967	18.8
124.07597	100.0
124.11228	21.2
124.12114	1.4
125.07933	1.7
125.09631	1.6
137.02075	0.8
137.02934	4.4
140.03436	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	124.0759
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03949	6.5
54.03464	1.3
55.01867	1.4
55.05514	7.7
56.05030	1.0
56.96549	1.7
58.09715	0.8
65.03945	4.8
67.05501	3.4
68.05032	6.7
68.05829	2.1
69.03422	1.4
69.07074	3.1
71.11977	1.6
78.03455	2.4
79.05497	51.4
80.05022	19.9
80.05807	2.1
80.61833	0.7
81.03416	2.3
81.05412	2.0
81.05801	55.4
81.07060	19.5
82.02930	1.9
82.06152	1.3
82.06586	9.3
82.07365	6.1
82.99860	1.1
83.04986	3.1
83.07364	0.8
93.03397	1.1
94.06570	7.7
95.04963	4.7
95.96004	0.7
96.04504	14.8
96.05243	1.1
96.08134	78.1
96.87415	0.7
97.02882	4.1
97.04862	1.2
97.06515	1.5
97.08512	1.1
101.00880	12.4
101.02595	3.4
102.02283	1.1
105.04533	1.8
105.07077	0.8
106.05827	1.6
106.06554	28.7
107.04959	1.7
107.08607	2.7
109.05222	2.5
109.05989	0.7
110.01330	0.8
111.04441	2.5
112.03963	11.9
114.31741	0.7
119.01927	36.3
119.03590	1.9
124.03963	46.2
124.05935	3.8
124.07597	100.0
124.11229	37.6
124.12015	2.5
125.06030	1.7
125.07927	1.3
125.09624	4.0
137.02979	11.7
140.03444	6.7
142.03522	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	124.076
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
51.79866	0.8
53.03948	6.6
54.03452	1.2
55.05516	8.4
56.96567	2.1
65.03926	1.2
65.23170	0.8
67.05505	2.5
68.05028	5.2
69.07070	2.3
69.66336	5.3
78.03458	1.4
79.05497	61.0
80.05026	15.2
81.03413	1.4
81.05804	70.1
81.07063	17.9
82.02943	2.1
82.06148	1.3
82.06577	6.8
82.07386	1.0
82.99836	1.4
83.04995	1.3
94.06573	9.1
95.04975	3.8
96.04504	11.3
96.05156	1.0
96.05343	0.9
96.08136	85.7
97.02886	1.9
100.02525	1.2
101.00887	17.9
101.02582	1.9
104.02410	1.2
105.04505	1.9
106.06558	28.5
107.04945	2.4
109.02830	0.8
109.05240	1.6
112.03988	6.4
114.14944	0.8
119.01930	53.7
120.02068	1.6
123.97143	0.9
124.03963	31.1
124.05930	3.2
124.07599	100.0
124.11231	20.6
125.09559	0.9
137.02962	12.6
140.03430	3.4
142.03519	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.01889	0.9
55.05514	6.7
57.07077	4.0
65.03945	1.2
67.05508	22.9
69.07069	2.2
69.50626	4.1
78.03474	0.6
79.05497	18.6
80.05018	11.7
81.03419	0.8
81.07060	100.0
82.01458	3.2
82.07385	0.9
91.05489	1.0
93.07056	4.2
94.07835	0.8
95.04971	11.4
95.08611	22.6
96.04494	4.1
100.02494	7.6
105.04562	0.7
105.07035	3.6
105.82031	0.5
106.02894	0.8
106.07333	0.7
107.04952	2.0
108.05748	7.8
108.07655	0.7
108.09370	0.9
118.03501	2.8
119.01923	0.9
121.06494	1.4
121.10162	1.7
123.04458	3.0
123.05556	26.4
123.08073	23.5
123.10019	1.6
123.11713	18.7
124.03962	2.7
124.11263	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.05511	6.2
57.07078	4.9
65.03934	1.8
67.05506	18.6
68.53941	0.6
69.07063	2.8
70.61601	1.6
78.03462	1.7
79.05494	17.0
80.05025	23.5
81.07061	100.0
82.01446	11.5
82.06573	1.4
93.07037	3.6
94.07796	0.9
95.04980	10.1
95.08039	1.5
95.08607	16.4
96.04485	8.0
96.08148	0.9
100.02486	35.3
100.31571	0.7
105.04498	1.0
105.07008	1.4
106.02878	1.9
106.25810	0.8
108.05752	1.4
108.07658	1.7
112.03932	1.3
118.03523	16.4
119.01917	4.8
121.10133	1.9
123.04513	3.3
123.05556	45.3
123.08078	12.1
123.10006	2.5
123.11706	20.6
124.03955	7.6
124.07552	1.0
124.11258	5.2
137.02946	0.9
141.05104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.05515	5.1
56.96567	0.7
57.07080	4.8
65.03954	1.4
67.05511	23.2
69.07079	2.6
69.67460	3.9
77.03908	0.8
78.03458	1.5
79.05493	17.9
80.05022	19.4
81.03428	0.9
81.07061	100.0
82.01455	4.5
82.06568	0.6
82.07399	0.9
91.05480	0.8
93.07042	4.5
94.07850	0.8
95.04977	18.7
95.08608	20.4
96.04498	6.9
96.08126	1.2
100.02494	14.1
101.00875	1.3
103.05441	0.6
105.03386	1.0
105.04520	1.6
105.07030	1.9
106.02931	1.5
106.06626	0.9
106.07362	2.7
107.04996	0.8
108.05714	3.2
108.07655	2.9
108.09369	1.0
112.03993	1.1
118.03534	5.9
119.01925	3.4
121.10149	1.2
123.04464	6.0
123.05557	42.3
123.08078	17.5
123.09037	1.0
123.09953	3.6
123.11713	22.1
124.03942	5.4
124.07574	1.9
124.08382	0.7
124.11240	3.1
137.02931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03956	1.9
55.05513	4.9
56.54447	0.4
56.94073	0.3
57.07076	6.0
60.82823	0.4
62.95755	0.4
65.03941	1.3
67.05508	13.4
69.07066	3.0
69.48901	2.7
71.81597	0.4
78.03474	0.5
78.44338	0.4
79.05499	15.9
79.99583	0.4
80.05025	6.8
80.05815	0.6
81.07060	100.0
82.01449	4.2
82.06545	0.4
82.07406	1.0
83.08657	0.4
93.07054	2.7
94.07839	0.6
95.04967	2.7
95.08609	13.6
96.04496	2.1
96.08170	0.4
100.02488	11.5
101.00881	0.9
105.07041	1.0
106.02905	0.5
106.07384	0.4
108.07674	0.7
108.09374	1.1
118.03540	4.4
118.18202	0.4
119.01912	2.5
121.10155	1.1
123.04180	0.7
123.05556	14.0
123.08098	2.1
123.09186	0.5
123.10061	0.8
123.11713	22.3
124.03954	2.0
124.11232	1.0
124.12039	0.4
137.02948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05518	3.8
57.07082	5.3
65.03959	1.0
67.05514	11.2
69.07067	2.4
70.82036	1.0
71.51760	0.4
79.05500	15.0
81.07065	100.0
82.07408	0.8
93.07063	2.4
94.07845	1.1
95.04965	0.7
95.08615	13.9
100.02483	0.7
108.09373	0.8
119.01943	0.5
121.10143	1.3
123.05579	1.1
123.11721	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	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03945	1.7
53.09907	0.5
55.05519	4.0
57.07076	5.8
58.73232	0.4
62.36838	0.5
65.03948	1.0
67.05168	0.7
67.05513	11.8
69.07079	2.8
69.83694	2.2
69.84106	1.1
73.92674	0.5
74.10580	0.5
79.05499	14.2
79.05961	0.7
81.07065	100.0
82.07409	1.0
84.55764	0.4
93.07060	2.1
94.07837	1.0
95.08614	15.0
98.21516	0.5
100.02465	0.5
108.09383	1.1
121.10149	1.6
123.05527	0.7
123.11716	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02378	1.0
53.03957	10.2
55.05517	7.0
55.21169	0.6
59.07157	0.6
60.09235	0.5
67.05511	1.2
71.46606	0.8
77.03934	2.1
78.04709	0.9
79.05502	29.9
80.06273	1.1
81.03414	0.7
81.07066	6.4
91.05489	40.8
91.65705	0.5
93.07052	100.0
94.07386	2.0
95.04978	9.4
103.05476	6.4
105.04543	4.7
105.07041	27.7
106.07834	3.1
119.08588	4.8
121.06593	0.7
121.10155	21.7
123.08054	1.4
133.07634	1.7
133.80785	0.7
135.02605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02379	1.1
53.03948	16.7
55.01865	1.8
55.05508	6.7
59.70289	0.9
65.03947	5.6
67.05517	5.4
69.46987	7.0
70.08337	1.1
70.45608	0.9
72.10497	1.1
77.03918	3.7
79.05499	63.8
81.03402	1.7
81.07058	4.2
91.05489	56.2
92.05795	1.1
93.07049	72.8
94.07399	1.9
95.04986	13.1
97.05682	1.0
103.05475	24.2
105.04553	7.3
105.07038	100.0
106.07845	9.3
107.07334	4.9
109.06484	1.5
118.72883	1.1
119.08591	13.0
121.02872	3.5
121.04028	1.7
121.06517	13.1
121.10149	57.4
122.09680	5.6
123.08092	9.4
133.07597	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Santene
Peak:m/z	Relative Intensity
53.03950	1.5
55.05515	4.5
57.07079	5.4
65.03947	1.0
67.05510	12.4
69.07068	2.7
70.12135	0.2
70.68723	0.8
79.05500	16.6
80.05022	1.5
81.07063	100.0
82.01440	1.3
82.07396	0.7
91.05476	0.5
93.07055	1.5
94.07842	0.7
95.04984	1.0
95.08614	13.5
96.04523	0.4
100.02489	3.1
105.04539	0.3
105.07047	0.7
108.05740	0.3
108.09380	0.8
118.03536	0.9
119.01940	0.5
121.10128	1.6
123.04441	0.9
123.05556	3.0
123.08054	0.6
123.11717	22.1
124.03976	0.5
124.11195	0.4
139.67639	0.2
139.68881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01602	0.6
51.02380	2.4
53.03951	23.5
55.01871	2.9
56.96561	2.1
62.41382	0.4
65.03935	3.2
67.05479	0.5
68.32204	0.4
68.42557	0.4
70.10242	2.2
77.03931	7.5
78.04717	0.5
79.05502	2.1
81.03423	2.2
81.07099	0.5
91.05487	55.5
92.05827	0.7
93.03405	0.7
93.07050	47.2
95.04976	24.9
98.97591	1.0
102.04689	1.4
103.05473	100.0
104.05209	0.6
104.05787	2.8
105.04517	11.9
105.07033	3.0
107.07303	0.5
111.04491	0.5
119.08556	0.8
121.02878	1.9
121.06510	69.8
121.08411	1.8
121.10168	1.0
122.06842	1.0
122.09696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	0.6
51.02383	1.1
53.03952	10.6
55.05515	7.6
55.24593	0.6
67.05504	1.6
69.74493	3.3
69.74883	1.2
71.74155	0.7
77.03932	2.4
79.05497	31.5
80.06275	0.8
81.03419	1.0
81.07070	5.2
89.21987	0.6
91.05486	40.4
92.05848	0.7
93.07050	100.0
94.07388	1.0
95.04976	11.2
103.05478	6.8
105.04512	4.9
105.07039	26.5
105.10686	0.6
106.07824	4.4
107.07349	0.8
119.08601	5.3
121.02842	0.6
121.06542	1.5
121.10152	20.9
123.08080	1.9
133.07632	1.5
136.06012	0.5
136.75070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02391	1.4
53.03948	12.8
55.01849	1.4
55.05508	5.9
65.03931	2.5
67.05504	2.4
70.72956	3.3
77.03926	3.7
79.05496	56.1
81.03419	2.1
81.07067	3.5
84.66155	1.0
86.90119	1.2
91.05482	35.0
93.07047	69.5
95.04964	14.2
103.05473	22.5
105.04532	6.6
105.07032	100.0
106.07839	8.2
107.07336	2.0
108.30897	1.3
119.08591	11.9
121.02866	1.6
121.06528	10.2
121.10151	58.2
122.09689	1.2
123.08070	6.8
133.07629	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	121.1016
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02387	1.4
53.03953	12.9
55.01880	0.6
55.05519	9.2
62.84122	0.7
65.03938	1.6
67.05510	2.5
71.14156	1.3
77.03920	2.0
77.08752	0.7
79.05500	39.7
80.06268	1.2
81.03455	1.7
81.07069	4.9
90.01370	0.7
91.05489	49.4
92.05797	0.9
93.07053	100.0
94.07370	1.6
95.04980	14.6
103.05487	8.7
105.04536	6.0
105.07041	36.1
106.07873	3.7
106.10873	0.7
107.07352	3.5
119.07808	1.0
119.08583	4.2
121.02876	0.8
121.06511	7.3
121.09306	1.5
121.10159	23.2
122.09718	3.3
123.08105	3.2
133.07654	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	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
56.97301	0.6
64.89614	0.7
65.03944	3.0
70.79369	1.6
77.03928	1.1
78.04707	1.4
79.05504	7.0
91.05487	100.0
92.05810	0.7
93.07049	7.9
94.93711	0.6
95.04979	2.7
103.05482	14.8
104.06261	14.8
104.90720	0.7
105.04505	1.4
109.06500	1.0
111.31920	0.7
115.05458	7.5
117.07029	41.4
118.07449	0.9
119.08589	74.9
120.08974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03949	8.9
55.01875	4.4
55.05507	2.6
55.74216	0.6
56.96573	6.8
57.03443	0.8
65.03944	65.9
66.04268	0.6
67.05499	3.7
68.99792	1.9
69.03427	1.2
71.01344	1.8
71.36620	0.7
75.01050	1.0
75.34441	0.6
77.03899	1.5
79.01850	1.6
79.05499	15.0
81.03404	1.0
81.07042	1.0
84.01582	1.0
90.07509	0.6
91.05486	23.9
93.03387	3.6
93.07047	26.2
94.06583	0.9
95.04975	11.5
97.02930	1.0
98.03638	0.6
98.97585	1.3
103.05467	17.5
105.04516	4.2
105.07035	17.5
106.07835	2.1
107.07331	2.0
109.02905	0.8
111.04453	22.5
118.04607	1.0
119.05427	0.7
119.08602	2.5
121.02873	100.0
121.03985	37.9
121.06503	19.5
121.08408	0.8
121.10149	10.5
122.03166	1.0
122.06091	1.1
122.09689	3.3
123.08085	1.4
133.07657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.4
53.03952	24.4
55.01881	2.5
56.96573	4.5
65.03957	4.7
68.15785	0.4
70.98122	0.5
71.37724	0.6
77.03925	6.2
79.05505	3.3
81.03411	2.7
83.00774	0.9
91.05488	55.3
92.05804	1.1
93.07051	47.6
94.07386	1.2
95.04974	26.9
98.97578	1.9
102.04681	2.2
103.05476	100.0
104.05807	6.6
105.04523	11.5
105.07030	4.4
107.07355	0.8
121.02899	2.8
121.04021	1.6
121.06515	67.2
121.10136	1.6
122.06828	0.6
122.09676	0.8
123.08043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01611	0.7
51.02374	3.2
53.03953	28.3
55.01876	3.4
56.96569	4.5
57.03429	0.5
65.03947	2.0
68.99798	0.7
69.64809	3.1
72.99510	0.5
77.03941	7.5
78.04732	1.0
79.05479	1.0
81.03434	2.9
84.96030	0.6
91.05488	74.0
93.07053	63.8
94.07392	0.6
95.04978	33.2
98.59542	0.6
98.97587	2.7
102.03146	0.5
102.04689	2.2
102.96861	0.9
103.05477	100.0
104.05808	1.1
105.04523	14.4
110.97564	0.6
112.41874	0.4
112.80183	0.5
116.98595	0.7
119.01839	0.7
119.04965	0.8
121.06517	96.6
122.06862	1.0
128.98633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02376	1.7
52.70415	0.5
53.03703	0.7
53.03951	11.8
55.01857	1.6
55.05498	1.5
56.96557	0.7
58.36039	0.5
65.03947	4.5
69.75428	1.3
69.75838	1.5
72.66029	0.5
77.03953	3.2
78.04719	14.0
79.05495	19.5
81.03417	1.1
85.68584	0.5
91.05487	34.3
93.07055	14.4
95.04971	12.5
103.05474	11.0
104.46543	0.5
105.04527	5.8
105.07035	41.6
106.04173	5.4
106.07833	3.3
107.07329	2.1
119.08601	5.6
121.02941	1.0
121.04017	1.4
121.06512	100.0
121.10143	19.8
121.11026	0.9
122.06817	1.0
122.09680	1.4
123.08080	3.6
133.07584	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02376	2.3
53.03950	23.0
55.01869	2.0
55.05509	1.8
56.96575	1.0
62.93699	0.6
65.03944	8.1
67.05505	1.9
74.98970	0.6
77.03929	4.7
77.17360	0.5
78.04729	3.4
79.05499	11.8
81.03422	2.7
89.97910	0.6
91.05489	58.9
93.07052	29.7
94.06617	0.7
95.04977	24.8
102.04688	0.6
103.04788	1.0
103.05474	17.1
103.73267	0.7
105.04532	10.5
105.07037	19.3
106.04181	1.2
106.06565	0.8
106.07794	1.4
107.02594	0.7
107.07346	5.3
111.04425	0.8
116.98640	0.6
118.06570	0.9
119.04922	0.8
119.08602	2.5
121.02926	4.3
121.06516	100.0
121.10151	9.7
122.06067	1.0
122.06888	1.0
122.09698	4.7
123.08038	1.0
133.07593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01597	1.3
51.02379	2.2
51.24080	0.5
51.44906	0.6
53.03951	24.6
53.45913	0.5
55.01861	2.2
55.05508	1.2
58.56451	0.6
65.03945	3.7
67.05504	2.6
70.13441	1.0
70.13805	2.3
72.52157	0.6
77.03939	5.2
78.04714	1.5
79.05498	13.5
80.60986	0.7
81.03421	2.8
89.69559	0.6
91.05489	44.8
93.07054	25.0
95.04978	21.6
99.43835	0.6
102.04724	0.8
103.05478	16.5
105.04526	11.4
105.07038	13.6
107.02559	1.0
107.07347	2.8
114.31152	0.6
118.06611	0.8
119.04910	0.8
119.08576	2.2
121.02860	2.2
121.06515	100.0
121.10135	8.0
122.06898	0.8
122.09679	1.9
123.08048	0.8
131.05405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.75843	0.4
51.02380	0.5
52.10046	0.4
53.03954	3.8
53.36913	0.4
57.08030	0.4
61.82530	0.4
65.03942	3.9
65.24221	0.4
67.05488	0.5
69.69863	0.5
70.48868	0.4
70.60725	0.4
73.56933	0.4
77.03928	0.8
78.04706	1.6
79.05503	7.9
81.03396	0.5
91.05488	100.0
92.05817	1.1
93.07053	6.1
95.04970	3.4
98.19770	0.4
102.04704	0.6
103.04788	0.8
103.05475	15.7
104.06258	15.1
104.06966	0.6
104.80287	0.5
105.04518	1.6
109.06550	1.2
115.05460	8.0
117.07027	37.4
118.07360	0.5
119.08588	85.8
120.08858	0.9
120.50574	0.5
121.06520	0.8
131.06036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03951	3.6
53.15989	0.5
58.33937	0.5
65.03950	3.3
65.84167	0.6
69.79369	2.3
77.03937	1.1
78.04726	1.3
79.05495	6.6
91.05489	100.0
92.05828	0.7
93.07060	7.2
95.04990	4.0
98.21407	0.9
101.12091	0.5
102.04666	0.7
103.05473	16.4
104.04362	0.6
104.05597	0.9
104.06260	12.4
105.04507	1.5
109.06528	1.5
110.84901	0.6
115.05472	8.1
117.07031	46.6
119.08589	71.4
120.08913	0.9
121.06534	0.7
131.06084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02383	0.7
53.03951	4.1
65.03944	5.1
67.05503	1.0
68.63936	0.6
73.18369	0.5
77.03957	0.9
78.04720	2.0
79.05491	8.9
81.03408	0.6
90.34852	0.5
91.05483	100.0
92.05836	0.8
93.07048	5.6
95.04987	3.2
103.05466	12.4
104.05601	1.1
104.06252	15.1
105.04542	1.3
109.06548	1.0
115.05476	5.9
117.07021	23.4
118.07378	0.6
119.04939	1.9
119.08583	98.8
120.04444	0.6
120.08101	1.2
120.08881	1.2
121.06496	0.5
121.75416	0.5
136.39441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
53.49555	0.5
54.04279	0.6
58.51607	0.5
64.81715	0.5
65.03928	4.0
67.05498	0.8
67.68040	0.6
70.60786	1.0
77.03919	0.7
78.04707	1.7
79.05493	7.9
82.66902	0.5
90.35751	0.5
91.05483	89.0
92.05796	1.3
93.07053	5.0
95.04948	2.9
103.05470	12.0
104.06252	13.1
105.04504	0.9
109.06487	0.5
115.05467	6.3
117.07023	22.6
119.08582	100.0
120.08928	0.9
129.91893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
63.28166	0.7
65.03947	4.1
67.28289	0.6
68.92526	0.6
69.72715	1.5
69.73129	2.9
73.35030	0.7
77.03925	1.0
78.04719	0.9
79.05495	9.5
82.07312	0.6
91.05488	96.3
92.05833	1.3
93.07049	6.3
95.04973	3.2
98.20718	0.9
103.05479	11.8
104.06250	12.9
105.04514	1.6
109.06489	1.0
115.05474	5.9
117.06208	1.6
117.07030	26.8
119.08590	100.0
120.08939	1.7
134.05923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03955	3.8
54.92327	0.5
59.30085	0.5
63.50440	0.5
65.03944	3.9
71.08902	1.4
74.38210	0.5
77.03946	0.7
78.04717	1.7
78.66592	0.6
79.05498	8.0
91.05486	95.7
93.07041	5.9
95.04963	3.1
102.06293	0.5
103.05476	11.4
104.05601	0.9
104.06259	13.5
105.04537	1.3
109.06545	1.0
115.05459	5.9
117.07025	25.3
119.08588	100.0
120.08910	1.4
126.08966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.50972	0.5
53.03947	3.4
65.03932	4.1
68.62336	0.7
70.72876	1.6
77.03938	1.2
78.04707	1.7
79.05502	6.1
81.03446	0.7
81.91220	0.6
89.72364	0.6
91.05486	100.0
91.26245	0.6
92.05814	0.8
93.07052	6.3
95.04961	3.3
103.05474	15.7
104.06260	12.5
105.04512	2.1
109.06525	1.3
115.05466	8.6
117.07024	47.4
119.08587	67.4
120.08857	0.9
131.06041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02384	0.6
53.03951	2.9
60.21820	0.5
65.03943	3.9
70.18487	1.2
77.03930	0.8
78.04697	1.0
79.05506	6.9
91.05489	100.0
92.05822	0.5
93.07050	8.0
95.04971	3.0
103.05479	17.3
104.06259	13.6
104.55463	0.4
104.70106	0.3
105.04546	1.2
109.06524	1.6
115.05464	7.9
117.07028	49.8
118.07356	0.7
119.06092	1.6
119.08588	73.7
120.08885	0.8
121.06502	0.8
131.06067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02398	0.6
53.03955	3.0
63.25785	0.5
65.03938	2.6
67.05504	0.6
69.39573	4.0
69.39964	1.0
77.03940	0.6
78.04700	0.9
78.14732	0.5
79.05503	5.6
88.58182	0.5
91.05485	100.0
92.05809	1.1
93.07056	6.9
95.04987	3.8
98.21483	1.2
102.04674	1.0
103.05473	17.8
104.06261	12.6
105.04508	1.2
106.04186	0.6
109.06536	1.3
115.05467	10.7
116.06290	0.5
117.07024	55.2
118.07378	0.9
119.08585	68.3
120.08873	0.6
121.06562	0.8
121.61613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02388	0.8
52.55538	0.7
53.03958	3.4
65.03954	3.7
70.79317	1.7
77.03944	0.7
78.04725	0.7
79.05511	6.8
91.05491	100.0
92.05827	1.0
93.07063	6.7
95.04972	2.8
103.05480	16.2
104.06260	13.0
105.04523	0.9
109.06521	1.1
115.05466	7.8
117.07034	50.7
118.07324	0.8
119.08595	74.7
120.08873	0.8
121.06553	0.7
121.32787	0.5
131.06018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	2.8
51.02371	6.8
53.03703	4.8
53.03950	79.6
55.01884	2.4
58.06604	29.5
59.07384	32.7
69.32967	23.1
72.08139	12.2
77.03942	15.4
81.03419	10.4
87.48196	2.2
88.34383	2.3
91.05489	21.6
92.35451	2.2
95.04974	73.7
97.18706	2.5
98.30283	2.2
105.04526	39.4
117.07047	7.5
118.06554	100.0
118.08656	83.0
119.08580	19.5
123.40144	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	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
51.73440	0.3
53.03949	0.9
53.74496	0.3
55.05517	20.7
56.05043	0.7
56.96576	4.7
57.05824	1.1
58.06607	7.2
59.05008	0.7
59.07386	6.9
60.08170	1.5
60.95867	0.5
66.24770	0.3
69.03429	0.6
70.06591	1.4
70.38320	0.7
72.08161	100.0
72.87411	0.3
73.08506	0.6
74.50028	0.8
80.28241	0.4
82.01425	0.5
82.06610	0.4
83.50569	0.6
91.02364	0.6
91.05484	0.6
92.01256	0.6
95.05004	0.5
97.02353	0.8
98.97601	0.7
100.02457	0.7
100.11240	0.8
104.52882	1.0
106.02860	0.5
106.05103	0.7
111.15978	0.4
112.07610	0.5
118.08663	21.3
118.12300	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
53.03944	4.0
54.04280	0.5
55.45131	0.4
65.03944	3.9
66.44710	0.5
67.05510	0.8
69.42034	2.3
69.42459	2.1
77.03903	1.2
78.04720	1.2
79.05498	8.0
80.06326	0.6
81.03429	0.6
91.05482	92.6
92.05807	0.8
93.07051	5.5
95.04964	3.2
98.21497	1.0
103.05469	13.1
104.05610	0.9
104.06256	14.5
105.04498	1.3
109.06503	0.9
115.05476	6.6
117.07025	22.1
119.06074	1.4
119.08582	100.0
120.08897	1.3
131.06036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01594	2.9
51.02375	9.5
53.03952	83.2
55.01882	4.6
58.06592	6.9
59.07372	3.8
61.54966	3.3
65.03931	3.7
69.75686	7.2
69.76103	13.2
76.92902	4.1
77.03934	22.1
79.05507	3.7
81.03437	8.8
91.05485	75.8
93.07014	4.7
95.04980	86.4
103.05496	11.7
104.06239	9.6
105.04528	45.4
115.05437	7.4
116.05795	4.0
117.07029	39.0
118.06557	100.0
118.07327	5.2
118.08648	12.6
119.08594	58.2
139.82803	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	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	6.5
53.03705	4.1
53.03952	77.3
55.01871	3.6
58.06614	4.3
59.07395	3.0
61.58835	2.6
69.55751	14.0
69.56168	5.7
75.89710	2.5
77.03946	18.7
81.03436	4.8
88.83961	2.7
91.05506	21.4
95.04365	3.9
95.04976	76.1
98.20654	5.2
103.05479	2.9
104.94592	2.8
105.04517	29.3
117.07030	6.6
118.05702	4.8
118.06557	100.0
118.08674	11.6
119.08602	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02369	13.0
53.03955	80.7
55.01873	4.6
58.06601	6.1
59.85184	3.8
64.76566	3.3
70.06536	13.9
72.08159	4.4
76.04628	3.1
77.03952	18.9
81.03412	8.6
91.05476	12.3
95.04980	74.2
105.04514	38.8
117.07069	4.2
118.06556	100.0
118.08642	13.4
119.08575	10.9
119.35680	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	1167.642
Annotation	Unknow
Peak:m/z	Relative Intensity
82.77872	0.5
83.67912	0.4
89.07629	0.5
98.20744	0.6
103.39798	0.5
125.49414	0.4
125.94981	0.5
129.73409	0.4
140.96890	0.4
152.01529	0.5
165.26195	0.4
388.16696	0.5
389.17477	0.9
395.57724	0.5
402.18460	0.7
403.19189	1.8
404.20117	0.8
405.20834	1.0
408.60983	0.5
415.19095	0.5
416.20291	0.6
417.16153	0.7
417.21375	2.9
418.21518	1.3
419.22299	2.1
431.18057	5.8
432.18954	1.2
433.24088	6.0
434.24603	0.9
445.19791	7.3
446.20898	4.5
447.21686	3.5
458.75104	0.4
459.21442	4.6
460.22498	8.6
461.23318	9.5
473.23764	2.6
474.24405	1.0
477.22641	0.5
487.24994	1.4
492.25311	0.9
505.22714	1.9
519.24042	0.7
519.27875	0.9
532.24927	0.5
547.27075	46.0
548.27600	2.2
573.58368	0.5
575.26563	1.1
578.25867	0.7
579.29468	1.3
600.22620	0.6
607.29156	100.0
608.29315	4.3
878.13928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02370	9.4
53.03954	73.4
58.06603	16.3
59.07367	12.7
69.75631	14.0
69.76037	5.8
72.08160	6.3
76.92896	3.3
76.93378	3.1
77.03926	15.0
81.03414	8.2
90.06738	3.0
91.05465	12.4
91.96436	3.0
95.04368	4.0
95.04977	70.0
96.75112	2.8
103.05486	3.6
105.04533	39.1
111.80151	3.9
118.06553	100.0
118.08653	38.1
119.08596	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	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	0.1
55.01885	0.2
56.05039	0.4
56.96571	6.8
58.06608	0.5
60.05654	0.2
60.95863	0.2
68.05036	0.3
69.03432	0.4
69.70838	0.1
69.85698	0.5
70.06596	100.0
71.04980	0.2
71.06912	0.6
71.95263	0.3
72.05643	0.1
72.08154	1.3
74.00246	0.1
74.97617	0.2
75.01047	0.2
77.00788	0.2
81.01038	0.7
82.01823	0.2
83.00807	0.6
84.01603	0.2
84.08144	0.2
85.02893	0.2
90.01566	3.9
91.00507	0.3
91.02361	0.2
92.01292	0.2
97.99232	0.1
98.06049	0.5
98.07176	0.2
98.09697	0.9
98.20743	0.2
98.97603	1.8
99.02082	1.7
100.02496	0.2
101.52333	0.2
102.34624	0.2
104.01288	0.4
113.01805	0.3
116.07101	9.2
116.10728	1.1
116.98612	0.5
131.00148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	L-Proline
Peak:m/z	Relative Intensity
53.03951	0.1
55.01882	0.3
56.05044	0.4
56.53599	0.1
56.96569	5.2
57.03432	0.2
58.06610	0.3
60.05605	0.1
60.95848	0.2
68.05042	0.2
69.03434	0.4
69.86182	0.5
70.06597	100.0
71.06933	0.7
71.95197	0.1
72.08166	0.7
73.02934	0.1
74.00234	0.1
74.97627	0.1
75.01015	0.1
75.57118	0.1
77.00807	0.1
81.01049	0.4
83.00777	0.6
84.08135	0.2
84.96107	0.1
90.01562	2.9
90.02095	0.2
90.51761	0.1
92.01289	0.6
96.01517	0.1
98.06052	0.3
98.07183	0.3
98.09692	0.8
98.97587	1.4
99.02107	1.0
104.01332	0.2
110.52847	0.1
113.01868	0.1
116.07100	8.8
116.10735	1.2
116.98637	0.4
124.99052	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	43.9
70.14540	18.0
71.95258	6.2
80.09377	5.0
83.00777	13.8
83.09212	4.1
90.01567	6.2
98.97598	100.0
116.32095	3.9
116.98631	44.7
122.77430	4.6
134.99654	9.7
135.16106	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	115.087
Annotation	N-Nitrosopiperidine
Peak:m/z	Relative Intensity
53.00315	0.4
53.03946	4.1
54.03483	0.4
55.01666	0.3
55.01878	4.2
55.05512	13.9
56.01400	12.8
56.05035	0.8
56.96556	1.9
57.03424	0.4
58.06591	0.9
59.05008	1.6
66.12792	0.4
67.05168	0.4
67.05506	6.9
68.79513	0.3
69.03441	2.1
69.04556	4.0
69.06721	0.4
69.07070	6.8
70.00375	1.2
70.02948	0.6
70.06593	4.6
71.06132	1.0
73.06549	1.5
73.93832	0.5
74.93831	0.9
80.05021	21.6
80.73720	0.3
83.01348	0.8
85.02896	0.5
85.06522	1.3
87.00829	0.4
87.04470	2.4
97.06569	1.4
97.07655	32.8
98.07964	0.3
115.03957	4.8
115.05490	0.9
115.08694	100.0
116.07123	0.5
116.09019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.087
Annotation	N-Nitrosopiperidine
Peak:m/z	Relative Intensity
53.03950	4.0
54.03471	0.4
55.01875	1.4
55.05513	12.9
56.01400	13.8
56.05020	0.8
56.96570	6.0
57.03463	0.3
58.06579	0.4
59.04996	1.0
67.05170	0.4
67.05512	6.9
68.05028	0.5
69.03419	1.1
69.04558	3.9
69.07059	0.9
70.02947	0.5
70.06602	4.0
70.46579	1.0
71.01324	0.3
71.06111	0.4
72.93789	0.3
73.02886	0.3
74.93835	0.5
75.18216	0.3
80.05021	21.8
81.05347	0.4
83.01334	0.6
85.02894	0.4
85.06541	1.2
87.00760	0.3
87.04468	0.6
90.01560	1.5
90.94831	0.3
91.00528	0.4
97.02892	0.3
97.07661	30.4
98.97578	0.9
99.02060	0.4
112.00980	0.3
115.03950	2.3
115.08695	100.0
116.07117	0.4
116.09053	0.7
116.98624	0.4
124.06143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.41098	0.4
53.03949	5.8
55.01870	0.6
55.05513	12.0
65.03937	5.2
67.05506	100.0
68.05832	0.5
69.07068	8.1
69.33578	1.4
69.33997	2.7
73.09606	0.4
79.05495	10.5
80.06287	1.3
81.03424	5.9
81.07059	34.1
91.05492	2.2
94.04199	1.3
94.07811	1.6
106.96278	0.4
107.05009	0.6
107.08599	3.1
109.02869	1.7
109.06519	5.9
109.10158	52.6
110.06035	0.4
110.10513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00315	0.6
53.03952	5.7
55.05515	9.3
65.03954	4.7
67.05511	100.0
68.05852	0.8
69.07073	7.1
69.44488	1.8
69.44920	2.0
75.57116	0.5
79.05501	11.1
80.06303	1.3
81.03425	9.2
81.07063	33.1
87.00457	0.6
91.05481	2.0
94.04190	0.7
94.07835	1.3
98.21512	0.8
105.07051	0.5
107.08612	3.3
109.02898	2.1
109.06535	5.2
109.07678	1.0
109.10165	36.3
110.06061	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	112.9672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
54.93846	1.8
55.01884	0.8
55.05521	0.2
56.96571	19.5
57.03433	0.8
58.99853	0.2
60.95859	0.1
67.01865	0.2
67.05508	0.4
69.03436	0.6
70.00603	0.6
70.48671	0.2
70.99857	0.2
71.04993	0.2
71.60461	0.2
71.94108	100.0
71.95260	21.9
72.52979	0.2
72.93785	1.0
72.96051	0.3
74.97616	0.5
75.01055	0.2
77.85722	0.2
78.32922	0.1
78.52980	0.2
79.05485	0.2
81.03425	1.3
81.07065	0.3
82.01421	0.3
82.01839	0.4
83.00775	0.3
83.04970	0.3
84.01578	0.4
84.05118	0.2
84.96048	0.5
85.02926	0.2
85.95663	0.2
87.53508	0.2
89.00792	0.2
89.95145	7.2
90.94855	0.2
91.02343	0.3
92.51820	0.2
95.00790	0.2
95.04949	0.2
96.01571	0.7
97.00511	0.2
97.02334	0.2
97.02922	0.5
97.96839	0.3
98.21370	0.2
98.97592	1.0
99.04469	0.2
100.02470	0.8
101.00793	0.9
101.23182	0.2
102.02290	0.2
104.01302	0.2
105.02110	0.2
107.52425	0.2
107.96175	0.4
108.59138	0.1
109.00473	0.3
109.02903	1.2
110.01304	1.1
110.03083	0.2
110.97577	0.4
111.02126	0.3
111.02960	0.4
112.96721	4.1
112.97433	0.3
112.99161	0.7
113.00888	0.3
113.02392	2.0
113.06004	0.3
115.02477	0.3
116.98636	0.4
118.03524	0.2
119.01893	1.5
119.97370	0.2
120.02580	0.2
120.03432	0.2
120.51320	0.2
128.97829	0.3
128.98668	0.4
130.97768	1.0
131.00175	1.0
131.01915	0.9
133.03461	0.2
134.78548	0.2
134.99661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.77630	0.4
53.00309	0.6
53.03953	9.4
55.01869	1.1
55.05520	10.3
65.03942	5.8
66.04727	0.8
67.05511	100.0
68.05817	0.5
69.07076	5.8
69.40281	4.1
69.40675	1.1
79.05498	16.6
80.06293	1.0
81.03426	12.5
81.07066	37.0
91.05499	5.2
91.61736	0.5
94.04211	3.4
94.07820	1.2
94.77239	0.5
95.04990	0.6
105.07049	0.7
107.04952	1.9
107.08591	4.2
109.02895	3.8
109.05785	1.1
109.06530	21.0
109.10165	42.8
110.06062	1.2
110.77435	0.5
122.12378	0.5
124.78133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03942	2.8
55.01886	0.4
55.05514	9.7
61.80873	0.5
62.19275	0.5
65.03944	4.8
67.05506	100.0
69.07066	6.0
70.46310	0.7
70.46690	1.1
79.05496	10.0
80.06288	0.8
81.03428	2.4
81.07058	32.3
91.05488	2.0
94.07846	1.1
98.20702	0.6
100.88145	0.6
100.96865	0.5
104.00758	0.5
105.07034	0.8
107.08602	3.9
109.02911	0.7
109.06524	9.5
109.10159	37.6
110.06044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03950	1.4
55.05515	12.1
60.26048	0.4
65.03951	4.1
65.09406	0.3
66.79106	0.3
67.05508	100.0
68.05845	0.9
69.07075	6.1
70.68858	1.2
73.61175	0.3
79.05496	9.2
80.06284	1.3
81.07063	32.4
91.05484	1.1
94.07823	1.7
100.27969	0.4
105.07013	0.6
107.08597	3.1
109.06491	0.4
109.10162	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	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02384	0.9
53.03696	1.1
53.03949	18.8
55.01880	6.8
55.05512	8.2
55.88979	0.6
56.63859	0.5
56.96583	0.6
58.61000	0.4
65.03950	6.9
66.04716	1.4
67.05508	67.0
69.07078	4.0
69.96157	1.6
69.96572	0.9
79.05496	47.0
80.06274	1.3
81.03422	24.0
81.07060	57.2
82.06590	0.8
82.07384	0.6
87.00470	0.6
91.05488	14.6
94.04185	6.1
94.07844	0.9
95.04977	1.3
105.04526	0.8
105.07012	0.6
107.04971	1.7
107.08585	2.8
109.02891	6.0
109.06525	100.0
109.10162	27.8
109.10926	1.0
110.06066	2.1
110.06818	1.0
113.96440	0.6
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
51.02384	1.0
52.36319	0.7
53.03949	27.6
55.01882	6.2
55.05513	11.0
65.03947	8.1
66.04738	1.9
67.05507	100.0
68.62607	0.7
69.07072	6.4
71.57858	1.1
79.05495	55.0
80.06278	1.7
81.03423	31.1
81.07061	59.9
86.93330	0.8
91.05479	13.2
94.04214	3.9
94.07843	1.9
105.07092	0.7
107.04951	1.4
107.08599	4.1
109.02886	10.3
109.06524	93.7
109.10159	43.0
109.10922	1.5
110.06042	1.4
110.06786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02404	0.8
53.03950	19.7
55.01869	5.1
55.05511	9.9
55.63946	0.8
65.03943	8.4
65.43127	0.7
66.04731	1.0
67.05507	100.0
69.07076	6.2
71.01530	1.7
79.05495	43.6
80.06285	1.2
81.03420	23.3
81.07059	60.8
88.09984	0.7
91.05492	11.8
93.85186	0.7
94.04186	5.0
94.07801	1.2
97.81399	0.8
107.08601	3.6
109.02891	4.3
109.06525	82.2
109.10158	45.2
110.06042	1.3
117.29876	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02382	0.9
53.03951	7.6
55.01878	0.7
56.96571	11.7
57.03456	0.3
60.95865	0.4
62.99092	0.2
64.95564	0.8
65.03950	1.3
67.05515	0.7
69.00188	0.2
69.03432	0.9
69.55495	1.2
71.04996	0.4
71.95255	0.3
74.00276	0.2
74.50013	0.3
75.01044	0.4
77.03922	1.6
79.05498	100.0
80.05037	0.5
80.05826	1.2
81.03421	0.9
82.01839	0.3
83.00791	0.6
84.01571	0.9
90.01575	0.8
91.05487	7.0
92.01279	0.3
95.04974	9.4
98.20795	0.4
98.97597	0.4
100.02485	0.4
105.04525	3.7
105.07032	2.0
105.39387	0.2
106.06559	0.3
106.96558	0.4
107.01814	0.3
107.04961	16.3
107.08604	2.4
108.04476	0.4
109.06538	0.8
119.06075	0.7
124.97648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0497
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01599	0.6
51.02378	1.7
53.03952	11.6
55.01879	2.4
55.55898	0.3
56.96555	0.4
62.80178	0.3
62.99065	0.3
64.05546	0.3
65.03949	6.4
67.05499	1.3
69.39236	2.6
77.03934	3.0
78.04687	0.4
79.05499	25.0
80.05837	0.4
81.03429	1.6
91.05489	37.0
92.06265	1.3
95.04979	12.0
98.21441	0.6
99.26379	0.3
103.05460	0.3
105.04530	6.4
105.07039	10.5
106.04163	0.3
106.06557	0.9
106.32093	0.3
107.04964	100.0
107.08604	9.6
108.04581	0.4
108.05309	1.5
109.06514	3.4
118.08704	0.3
119.06066	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	1083.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
78.50763	0.2
93.38303	0.2
102.37345	0.2
105.07047	0.3
159.67302	0.3
182.12364	0.3
237.14021	0.5
251.15608	0.3
259.09744	0.3
279.06531	0.3
375.16626	0.4
376.16843	0.4
377.17661	0.8
378.18533	0.5
389.18124	0.6
390.18701	0.6
391.19199	1.5
392.20148	1.7
393.20963	0.8
399.15936	0.4
400.16748	0.4
401.17804	0.5
403.19608	0.8
404.20453	0.8
405.20813	2.7
406.21634	2.8
407.22311	6.8
413.17862	0.5
414.18488	0.5
415.19342	1.7
416.19968	0.6
417.21234	0.5
418.21811	0.7
419.23233	1.5
420.23318	1.0
421.23911	6.8
422.24640	1.5
427.19412	0.7
428.19928	1.2
429.20901	4.4
430.21783	0.6
431.18753	0.9
433.19879	0.9
433.24243	1.0
434.25052	0.6
435.26035	0.4
442.21750	0.5
443.22589	2.5
444.23514	1.7
445.20071	1.5
446.20853	0.5
447.18240	1.0
447.22610	0.5
448.18646	0.6
449.23010	0.4
455.18698	0.4
457.24872	1.5
458.25204	2.2
459.22098	2.2
460.23270	1.5
461.18988	4.0
462.20486	1.7
463.21384	1.0
470.21600	0.5
471.17587	0.4
472.22763	1.3
473.19278	0.4
473.24161	0.5
474.20532	0.8
475.21161	4.6
476.21658	2.6
477.22632	1.8
478.23630	0.4
484.19202	0.6
485.23911	4.1
486.20465	1.0
486.25427	0.4
487.20401	1.2
488.22055	1.3
489.22992	2.6
493.25940	0.6
497.23651	0.5
499.21313	4.8
500.22086	1.1
503.24643	6.1
504.20740	0.4
504.26151	0.3
505.22513	0.9
507.27936	0.4
508.28290	1.1
513.23090	1.5
514.23474	0.8
515.24329	1.1
517.22552	1.2
517.25897	1.0
521.25928	0.4
529.26245	0.6
531.24091	0.6
535.27271	5.9
545.25531	28.3
546.25812	1.5
547.26794	0.4
549.24933	0.3
562.25696	0.5
563.26947	0.9
564.27466	2.5
573.25079	9.5
577.28088	1.6
591.26257	1.8
605.27631	8.0
605.34955	0.2
621.28131	0.9
622.29108	1.4
623.28668	100.0
624.29010	5.1
821.31000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04481	3.8
77.03938	0.3
79.05489	5.6
81.03421	0.9
81.06573	0.6
81.07057	15.4
83.04984	6.9
83.08614	3.0
85.02904	46.0
87.04474	0.7
91.03960	2.3
91.04947	0.6
91.05479	6.2
93.07047	11.9
95.01331	7.8
95.04967	1.3
95.08607	32.3
95.67207	0.3
97.02891	4.9
97.10172	2.0
98.20846	0.3
99.00826	0.4
99.04448	1.2
101.02381	16.3
103.03941	1.4
103.05457	0.4
105.07030	12.8
107.04974	0.3
107.08595	20.1
109.02867	1.2
109.06548	0.7
109.10157	21.6
111.04448	5.7
111.08090	3.9
111.11711	1.6
113.02365	1.6
113.09642	0.4
115.03947	0.5
117.06994	1.6
119.08584	19.5
121.10146	18.0
123.00797	0.5
123.04489	0.4
123.11710	10.0
125.09621	0.3
127.03918	37.9
128.04260	0.6
128.06186	0.4
129.05479	9.3
129.06966	0.6
130.07771	0.5
131.03421	0.5
131.08568	4.9
133.10136	16.4
135.10674	0.6
135.11699	12.0
137.13255	2.2
139.11208	1.1
141.01830	20.9
141.07051	0.5
143.08575	2.0
144.09294	0.7
145.04962	45.4
145.10120	10.5
146.10843	0.4
147.06523	4.8
147.11691	14.0
149.13264	10.2
151.11189	1.1
151.14804	0.9
156.09338	0.4
157.10132	2.8
159.02881	4.2
159.11687	11.4
161.13260	13.2
163.06047	3.8
163.14824	7.9
165.07552	0.3
165.12790	1.0
169.10167	0.8
171.11708	2.8
173.13263	8.3
175.14827	10.5
177.03940	0.6
177.12856	0.4
177.16393	11.0
179.14334	0.6
179.17934	2.1
183.11734	0.5
185.13287	2.3
187.14833	7.7
189.16386	11.7
191.14371	0.9
191.17949	5.9
193.15851	1.5
195.17505	0.4
197.13278	1.0
199.14815	2.6
200.15555	0.3
201.16382	17.1
203.17957	14.9
205.15887	5.5
205.19513	3.4
207.17500	2.4
211.14883	0.4
213.16360	3.0
215.15984	0.2
215.17934	7.2
217.16245	2.2
217.19519	14.1
219.17494	2.8
219.21126	1.2
223.14912	0.3
223.16946	0.4
225.16328	0.9
227.17975	5.3
228.18625	0.3
229.19508	6.3
231.17433	1.3
231.21039	2.2
233.19008	1.4
235.20662	0.5
239.17993	0.4
241.19450	2.4
243.21129	3.4
245.19016	2.0
245.22691	0.7
247.20650	0.8
253.19589	0.8
255.08650	0.9
255.21098	4.2
257.22641	3.2
259.20712	1.0
259.24127	0.5
261.22198	0.8
267.21024	1.6
269.06525	0.7
269.22620	4.4
271.20813	0.6
271.24219	1.7
273.09650	1.0
281.22610	1.0
283.24182	1.7
285.22250	0.7
285.25726	0.8
287.07632	1.1
287.23712	0.3
291.10571	0.3
295.24246	1.4
297.25815	1.8
305.08655	2.5
307.24231	0.4
309.11908	0.8
309.25943	0.4
311.27359	1.0
313.25281	1.2
323.09464	0.4
335.27347	0.4
337.28717	0.3
349.29022	0.5
353.28818	0.4
365.32019	6.8
391.21259	0.4
393.35373	1.0
395.36725	0.7
403.33771	0.5
405.35172	24.3
406.35458	0.8
423.36218	100.0
424.36597	2.5
441.37222	4.3
451.35269	0.5
537.39453	0.8
549.39386	1.6
567.40485	4.3
581.38434	9.4
582.38739	0.4
599.39429	6.5
725.42493	0.8
869.78284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02377	1.5
53.03951	14.5
55.01872	0.9
65.03939	1.0
70.33031	0.8
70.33382	1.5
77.03934	4.8
79.05498	50.6
81.03430	1.0
95.04975	13.0
98.20664	0.5
103.05474	32.5
105.04546	5.9
105.07035	100.0
106.07372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01596	0.4
51.02393	1.8
53.03949	13.4
55.01876	0.7
65.03949	0.9
69.49095	1.6
77.03932	4.7
78.37299	0.3
79.05496	50.9
81.03410	1.5
95.04974	15.4
102.40907	0.3
103.05473	32.1
104.90818	0.4
105.04534	6.5
105.07034	100.0
106.07360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.3
50.19544	0.8
51.02382	1.6
53.03703	1.0
53.03951	14.1
59.69596	0.7
65.03932	0.6
70.72993	2.4
77.03932	5.2
79.05499	54.0
81.03436	0.8
83.67023	0.6
95.04984	14.0
103.04784	1.5
103.05476	31.5
105.04536	5.5
105.07039	100.0
106.07382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02385	1.4
53.03951	12.1
55.01864	0.5
61.14071	0.3
65.03948	0.9
69.56230	1.4
69.56655	1.1
73.80560	0.4
77.03934	4.3
79.05499	50.8
80.05845	0.6
81.03419	1.3
95.04975	13.1
103.04458	0.5
103.05478	29.3
105.04549	5.6
105.07039	100.0
106.07383	1.0
114.93074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.5
51.02382	2.1
51.79263	0.4
53.03952	13.8
55.01885	0.7
65.03935	1.1
69.96382	1.7
77.03932	3.8
79.05498	52.6
80.05823	0.5
81.03419	1.4
95.04976	13.7
103.05473	30.1
105.04552	5.9
105.07036	100.0
106.07384	1.0
123.17905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
114.19996	0.6
144.71722	0.5
144.89359	0.6
156.27303	0.5
158.87535	0.5
181.52628	0.4
232.57167	0.5
253.30992	0.5
301.34570	0.4
389.17435	0.7
403.19388	2.4
405.20688	0.9
416.20575	0.9
417.21359	2.4
418.21582	1.4
419.22437	1.9
431.18243	6.7
432.19284	1.2
433.24164	5.7
434.24646	1.3
445.19836	6.6
446.20822	2.9
447.21732	3.5
449.23642	0.7
457.20093	0.5
459.21539	4.1
460.22513	7.2
461.23395	8.0
473.23691	2.8
474.24164	0.6
487.24808	1.1
492.25552	0.8
505.22488	1.9
515.24670	0.6
519.23859	1.3
532.25732	0.6
547.27100	35.7
548.27435	2.0
575.26605	1.5
578.25861	0.7
579.29907	1.3
607.29175	100.0
608.29510	4.5
633.12659	0.6
692.03809	0.6
803.35632	0.5
914.17645	0.5
914.38330	0.6
1049.65613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	3.5
53.03949	32.7
55.01878	1.6
56.96561	2.4
60.02135	0.7
60.95851	2.5
61.65129	0.6
71.00666	1.8
71.15845	0.6
77.03929	9.8
81.03409	3.6
85.02936	0.9
87.93094	0.8
88.01594	1.1
89.88268	0.7
95.04974	29.5
102.04691	5.7
102.96876	1.1
103.03976	2.3
103.05474	100.0
104.05870	0.9
104.10730	2.1
105.04522	13.9
120.97901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.3
51.80862	0.5
52.31895	0.5
53.03949	21.6
55.01871	1.4
56.96566	2.9
57.03427	1.1
58.06601	0.9
60.02137	2.2
60.95849	1.5
68.38077	0.6
70.98280	0.7
70.98627	1.1
71.91780	0.5
77.03929	4.5
81.03417	1.8
85.02896	1.3
88.01614	2.0
92.63631	0.5
95.04975	20.8
102.04681	4.5
102.96865	1.0
103.04044	3.3
103.05474	100.0
104.10761	1.4
105.04516	9.2
120.97919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	6.0
59.07384	1.6
60.08169	55.7
61.08489	0.2
65.30977	0.2
69.03444	0.1
69.79718	0.9
80.15487	0.1
86.93365	0.1
87.04472	0.2
87.49022	0.1
88.07632	0.2
104.10753	100.0
105.11098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.4
53.03948	14.1
65.03949	1.5
69.75683	3.5
76.02290	0.7
77.03934	4.4
79.05494	51.2
81.03422	1.3
83.96652	0.6
95.04971	14.1
102.04680	0.8
103.05469	34.3
104.90829	0.9
105.03421	1.0
105.04520	7.0
105.07031	100.0
106.07368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02383	1.7
53.03951	13.3
55.01887	0.7
55.62846	0.6
59.52430	0.6
65.03927	1.1
70.96134	1.8
77.03927	4.8
79.05495	52.0
79.64655	0.6
81.03413	0.8
84.44582	0.7
87.00837	1.8
95.04978	14.5
100.20093	0.6
102.57424	0.6
103.05468	32.9
105.03389	1.2
105.04545	6.2
105.07034	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	102.9687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71995	1.3
53.03941	4.2
55.01874	2.3
56.96572	64.9
57.03432	7.7
57.05367	1.8
58.06600	4.6
58.96163	2.1
59.04999	1.5
60.02148	10.9
60.04530	1.5
60.95859	100.0
61.92874	1.8
67.51067	4.0
70.53085	4.8
71.95283	1.5
74.97598	1.5
75.01046	4.3
75.04463	3.1
75.94556	26.2
76.51577	1.5
79.01862	2.5
79.51054	3.0
79.52020	3.9
81.01018	1.7
81.03429	10.1
82.00025	1.5
85.02913	12.4
87.74773	1.3
88.01604	7.7
88.02391	1.6
88.51586	6.7
88.52544	1.3
89.00815	2.6
89.52352	1.8
91.00066	1.7
95.00750	1.8
95.04957	3.2
97.52090	1.7
98.27881	1.2
100.02481	3.8
102.91180	2.8
102.96877	42.3
103.00632	3.2
103.03971	11.8
103.05460	6.3
103.09574	1.4
109.00508	4.9
109.02905	9.5
110.01322	1.8
118.03545	1.7
120.97914	36.5
121.01687	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.7
51.02384	2.9
53.03953	23.7
55.01875	1.1
56.96571	2.7
58.06601	0.8
60.02140	2.1
60.08136	0.7
60.95834	0.6
70.87740	1.6
77.03931	4.6
81.03417	1.5
85.02919	1.1
88.01591	1.3
95.04977	22.3
102.04687	4.4
103.04063	3.1
103.05476	100.0
104.05811	1.0
104.10741	2.2
105.04528	8.9
END